A0A087Y6I4_POEFO Loading...

Regulation of nuclear pre-mRNA domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087Y6I4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 623 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low39Very low245 Ų245117.8 Ų117.8100%1.20786%0.864SS**  0124.90-60-66.3-155.900107.7
2A36Very low39Very low97 Ų97112.8 Ų112.880%0.80284%0.841SS**  cis-149.1154.5-10.400000108.5
3A40.4Very low39.2Very low106 Ų106110.2 Ų110.288%0.87683%0.826SS**  trans-82.2143.7178.200000111.5
4G33.2Very low39.6Very low80 Ų80117.8 Ų117.883%0.82583%0.826SS**  trans-124101.6175.500000111.5
5S40.6Very low40.4Very low128 Ų128114.8 Ų114.890%0.89581%0.805SS**  trans-69.4137.9178.4-64.50000112.4
6G32Very low41.7Very low85 Ų85112.1 Ų112.188%0.87679%0.786SS**  trans-14056.3176.700000112.3
7A39.9Very low43Very low95 Ų95109.2 Ų109.279%0.78576%0.762SS**  trans-102151.3-179.600000112.7
8A44.8Very low44.7Very low96 Ų96105.1 Ų105.179%0.79374%0.74SS**  trans69.5103.2163.400000119.4
9S46Very low46.7Very low134 Ų134103.6 Ų103.694%0.93773%0.73SS**  -150.9120.3125.7-1670000109.9
10G38.5Very low48.8Very low76 Ų7699.5 Ų99.578%0.78470%0.698SS**SBendtrans164.3-11.8-175.900000116.9
11Q39.7Very low50.6Low154 Ų15497.8 Ų97.872%0.7268%0.679SS**  trans-98.32.4-177.3-82.3168.7-40.600115.3A13 S15Q11-A13 PolarHBondContact O-N 2.89Å; Q11-S15 WeakPolarHBondContact O-CB 3.34Å; Q11-S15 PolarHBondContact O-N 2.93Å; Q11-S15 PolarHBondContact O-OG 3.46Å
12G38.8Very low53.1Low58 Ų5889.1 Ų89.160%0.59865%0.647SS**Hα-helixtrans-60.3-35.4-169.100000116.4S16G12-S16 WeakPolarHBondContact O-CB 3.45Å; G12-S16 PolarHBondContact O-N 2.98Å; G12-S16 PolarHBondContact O-OG 2.98Å
13A41.8Very low55.8Low78 Ų7886.5 Ų86.565%0.64562%0.623SS**Hα-helixtrans-77.1-45.5-173.200000113.7Q11 S16 T17Q11-A13 PolarHBondContact O-N 2.89Å; A13-S16 PolarHBondContact O-OG 3.49Å; A13-T17 PolarHBondContact O-OG1 3.35Å
14R44Very low58.3Low217 Ų21781.5 Ų81.582%0.81958%0.581SS**Hα-helixtrans-72.9-31.7178.3-85.2-179.2162.5176.5-5.9112.7T17 G18R14-T17 PolarHBondContact O-OG1 3.42Å; R14-G18 PolarHBondContact O-N 3.32Å
15S52.4Low61.1Low73 Ų7379.6 Ų79.651%0.5155%0.552SS.*Hα-helixtrans-71.3-35.4178.8-57.70000113.1Q11 S19Q11-S15 WeakPolarHBondContact O-CB 3.34Å; Q11-S15 PolarHBondContact O-N 2.93Å; Q11-S15 PolarHBondContact O-OG 3.46Å; S15-S19 WeakPolarHBondContact O-CB 3.39Å; S15-S19 PolarHBondContact O-N 2.96Å; S15-S19 VanDerWaalsContact O-N 3.07Å
16S60.4Low63.6Low72 Ų7283.3 Ų83.350%0.50355%0.547SS..Hα-helixtrans-71.6-35.9179.348.90000112.7G12 A13 L20G12-S16 WeakPolarHBondContact O-CB 3.45Å; G12-S16 PolarHBondContact O-N 2.98Å; G12-S16 PolarHBondContact O-OG 2.98Å; A13-S16 PolarHBondContact O-OG 3.49Å; S16-L20 WeakPolarHBondContact O-CB 3.48Å; S16-L20 PolarHBondContact O-N 3.42Å
17T64.1Low66.6Low62 Ų6283.7 Ų83.738%0.3852%0.522SS..Hα-helixtrans-66.1-44.3172.848.50000112.2A13 R14 S19 L20 E21A13-T17 PolarHBondContact O-OG1 3.35Å; R14-T17 PolarHBondContact O-OG1 3.42Å; T17-S19 PolarHBondContact O-N 2.98Å; T17-L20 PolarHBondContact O-N 3.41Å; T17-E21 WeakPolarHBondContact O-CG 3.48Å; T17-E21 PolarHBondContact O-N 3.4Å
18G73.4Confident69.2Low36 Ų3679.2 Ų79.237%0.37149%0.485SS..Hα-helixtrans-63.2-39.6177.200000113.3R14 E21 A22R14-G18 PolarHBondContact O-N 3.32Å; G18-E21 PolarHBondContact O-N 3.28Å; G18-A22 PolarHBondContact O-N 3.41Å
19S83.8Confident71.6Confident77 Ų7780.4 Ų80.454%0.53847%0.474SS..Hα-helixtrans-63.5-39.6174-177.50000112.6S15 T17 S23S15-S19 WeakPolarHBondContact O-CB 3.39Å; S15-S19 PolarHBondContact O-N 2.96Å; S15-S19 VanDerWaalsContact O-N 3.07Å; T17-S19 PolarHBondContact O-N 2.98Å; S19-S23 WeakPolarHBondContact O-CB 3.48Å; S19-S23 PolarHBondContact O-N 3.44Å; S19-S23 PolarHBondContact O-OG 3.49Å
20L87.1Confident73.7Confident20 Ų2076.7 Ų76.711%0.10546%0.456CS..Hα-helixtrans-66.8-41.5174.7-176.265.1000111.9S16 T17 S23 L24 W44 H51 L54S16-L20 WeakPolarHBondContact O-CB 3.48Å; S16-L20 PolarHBondContact O-N 3.42Å; T17-L20 PolarHBondContact O-N 3.41Å; L20-S23 WeakPolarHBondContact O-CB 3.46Å; L20-S23 PolarHBondContact O-N 3.3Å; L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.47Å; L20-W44 HydrophobicContact CD1-CH2 3.66Å; L20-W44 HydrophobicContact CD1-CZ2 3.78Å; L20-H51 HydrophobicContact CD2-CB 3.72Å; L20-L54 HydrophobicContact CD2-CD2 3.84Å; L20-L54 HydrophobicContact CG-CD2 4.26Å
21E88.1Confident76.4Confident64 Ų6473.2 Ų73.230%0.29942%0.42SS..Hα-helixtrans-64-44.3177.6-75.7-177.3171.300112.8T17 G18 S23 L24 D25 L54 Y58T17-E21 WeakPolarHBondContact O-CG 3.48Å; T17-E21 PolarHBondContact O-N 3.4Å; G18-E21 PolarHBondContact O-N 3.28Å; E21-S23 VanDerWaalsContact C-N 3.29Å; E21-S23 PolarHBondContact O-N 2.88Å; E21-L24 PolarHBondContact O-N 3.47Å; E21-D25 PolarHBondContact O-N 3.49Å; E21-L54 HydrophobicContact CG-CD1 4.07Å; E21-L54 HydrophobicContact CG-CD2 3.96Å; E21-L54 HydrophobicContact CG-CG 4.48Å; E21-L54 WeakPolarHBondContact OE1-CD1 3.39Å; E21-Y58 HydrophobicContact CB-CE1 4.06Å; E21-Y58 WeakPolarHBondContact CB-OH 3.29Å; E21-Y58 VanDerWaalsContact CD-OH 3.3Å; E21-Y58 HydrophobicContact CG-CE1 4.33Å; E21-Y58 HydrophobicContact CG-CE2 3.99Å; E21-Y58 WeakPolarHBondContact CG-OH 3.16Å; E21-Y58 WeakPolarHBondContact O-CE1 3.5Å; E21-Y58 PolarHBondContact OE2-OH 3.03Å
22A90.5Very high78.9Confident63 Ų6367.6 Ų67.652%0.52140%0.397SS..Hα-helixtrans-61.4-38.8172.500000111.9G18 D25 R26G18-A22 PolarHBondContact O-N 3.41Å; A22-D25 PolarHBondContact O-N 2.83Å; A22-R26 PolarHBondContact O-N 2.99Å
23S91.8Very high81.5Confident43 Ų4370.4 Ų70.430%0.30140%0.399SS..Hα-helixtrans-64.5-40.1174.6-63.10000112.4S19 L20 E21 R27S19-S23 WeakPolarHBondContact O-CB 3.48Å; S19-S23 PolarHBondContact O-N 3.44Å; S19-S23 PolarHBondContact O-OG 3.49Å; L20-S23 WeakPolarHBondContact O-CB 3.46Å; L20-S23 PolarHBondContact O-N 3.3Å; E21-S23 VanDerWaalsContact C-N 3.29Å; E21-S23 PolarHBondContact O-N 2.88Å; S23-R27 VanDerWaalsContact O-CB 3.26Å; S23-R27 WeakPolarHBondContact O-CB 2.75Å; S23-R27 WeakPolarHBondContact O-CD 3.45Å; S23-R27 WeakPolarHBondContact O-CG 3.48Å; S23-R27 PolarHBondContact O-N 3.43Å
24L93.4Very high84.1Confident0 Ų069.6 Ų69.60%039%0.386CS..Hα-helixtrans-65.5-45.6175.8-72.1167.1000111.4L20 E21 R27 F28 W44 L54 I55 Y58L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.47Å; E21-L24 PolarHBondContact O-N 3.47Å; L24-R27 PolarHBondContact O-N 2.82Å; L24-F28 HydrophobicContact CB-CD2 4.21Å; L24-F28 HydrophobicContact CB-CE2 4.15Å; L24-F28 HydrophobicContact CD2-CD2 4.45Å; L24-F28 HydrophobicContact CD2-CE2 3.69Å; L24-F28 HydrophobicContact CD2-CZ 4.25Å; L24-F28 HydrophobicContact CG-CE2 4.48Å; L24-F28 WeakPolarHBondContact O-CB 3.45Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 3.18Å; L24-W44 HydrophobicContact CD2-CH2 3.7Å; L24-W44 HydrophobicContact CD2-CZ3 3.51Å; L24-W44 HydrophobicContact CG-CH2 4.17Å; L24-W44 HydrophobicContact CG-CZ3 4.45Å; L24-L54 HydrophobicContact CD1-CD2 3.82Å; L24-L54 HydrophobicContact CD1-CG 3.73Å; L24-I55 HydrophobicContact CD2-CB 4.43Å; L24-I55 HydrophobicContact CD2-CG1 3.86Å; L24-Y58 HydrophobicContact CB-CD1 3.61Å; L24-Y58 HydrophobicContact CB-CE1 4.32Å; L24-Y58 HydrophobicContact CB-CG 4.02Å; L24-Y58 HydrophobicContact CD1-CD1 4.39Å; L24-Y58 HydrophobicContact CD1-CD2 4.42Å; L24-Y58 HydrophobicContact CD1-CG 4.11Å
25D92.1Very high86.5Confident41 Ų4165 Ų6522%0.21938%0.376CS..Hα-helixtrans-60.2-48.5177.7-85.9-27.8000111.4E21 A22 R27 Q29 Y58 K61 W62E21-D25 PolarHBondContact O-N 3.49Å; A22-D25 PolarHBondContact O-N 2.83Å; D25-R27 VanDerWaalsContact C-N 3.35Å; D25-R27 PolarHBondContact O-N 3.18Å; D25-Q29 WeakPolarHBondContact O-CB 3.39Å; D25-Q29 PolarHBondContact O-N 3.18Å; D25-Y58 WeakPolarHBondContact OD1-CD1 3.43Å; D25-Y58 WeakPolarHBondContact OD1-CE1 3.19Å; D25-K61 IonicContact OD1-NZ 2.67Å; D25-K61 PolarHBondContact OD1-NZ 3.15Å; D25-K61 IonicContact OD2-NZ 2.61Å; D25-K61 PolarHBondContact OD2-NZ 2.91Å; D25-W62 HydrophobicContact CB-CZ2 4.46Å; D25-W62 PolarHBondContact OD1-NE1 3.49Å
26R94Very high88.5Confident206 Ų20667.8 Ų67.878%0.77738%0.38SS*.Hα-helixtrans-60.7-41.3176.6-177178.2172.4-167-2.1112.5A22 G30A22-R26 PolarHBondContact O-N 2.99Å; R26-G30 PolarHBondContact O-N 3.37Å
27R93.9Very high90.2Very high92 Ų9265.8 Ų65.835%0.34737%0.366SS..Hα-helixtrans-69.3-46.3-178.7-77.9171.5-176-84.4-0.2112.7S23 L24 D25 Q29 G30 V31 L41S23-R27 VanDerWaalsContact O-CB 3.26Å; S23-R27 WeakPolarHBondContact O-CB 2.75Å; S23-R27 WeakPolarHBondContact O-CD 3.45Å; S23-R27 WeakPolarHBondContact O-CG 3.48Å; S23-R27 PolarHBondContact O-N 3.43Å; L24-R27 PolarHBondContact O-N 2.82Å; D25-R27 VanDerWaalsContact C-N 3.35Å; D25-R27 PolarHBondContact O-N 3.18Å; R27-Q29 VanDerWaalsContact C-N 3.32Å; R27-G30 PolarHBondContact O-N 2.91Å; R27-V31 PolarHBondContact O-N 3.35Å; R27-L41 HydrophobicContact CB-CD1 3.66Å; R27-L41 HydrophobicContact CB-CD2 4.28Å; R27-L41 HydrophobicContact CG-CD1 3.99Å
28F94.6Very high91.7Very high2 Ų263.7 Ų63.71%0.00935%0.353CS..Hα-helixtrans-74-22.7177.6-67.7-54.9000113.1L24 L41 I55 W59 W62 H70 L74 L77L24-F28 HydrophobicContact CB-CD2 4.21Å; L24-F28 HydrophobicContact CB-CE2 4.15Å; L24-F28 HydrophobicContact CD2-CD2 4.45Å; L24-F28 HydrophobicContact CD2-CE2 3.69Å; L24-F28 HydrophobicContact CD2-CZ 4.25Å; L24-F28 HydrophobicContact CG-CE2 4.48Å; L24-F28 WeakPolarHBondContact O-CB 3.45Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 3.18Å; F28-L41 HydrophobicContact CD1-CD2 4.36Å; F28-I55 HydrophobicContact CZ-CG2 3.97Å; F28-I55 WeakPolarHBondContact CZ-O 3.33Å; F28-W59 HydrophobicContact CE1-CB 4.02Å; F28-W59 HydrophobicContact CE1-CG 4.48Å; F28-W59 HydrophobicContact CE2-CB 4.38Å; F28-W59 HydrophobicContact CZ-CB 3.86Å; F28-W62 HydrophobicContact CB-CB 3.95Å; F28-W62 VanDerWaalsContact CB-CD1 3.48Å; F28-W62 HydrophobicContact CB-CD2 4.2Å; F28-W62 HydrophobicContact CB-CG 3.56Å; F28-H70 PolarHBondContact O-CE1 3Å; F28-H70 PolarHBondContact O-NE2 3.32Å; F28-L74 HydrophobicContact CB-CD2 4.35Å; F28-L74 HydrophobicContact CD1-CD2 3.85Å; F28-L74 HydrophobicContact CG-CD2 4.46Å; F28-L77 HydrophobicContact CD1-CD2 3.87Å; F28-L77 HydrophobicContact CE1-CD2 3.63Å
29Q94.5Very high92.8Very high121 Ų12166.4 Ų66.457%0.56536%0.355SS*.Hα-helixtrans-69.6-41.2168-173.6167.8-6.300112.3D25 R27 W62 H70D25-Q29 WeakPolarHBondContact O-CB 3.39Å; D25-Q29 PolarHBondContact O-N 3.18Å; R27-Q29 VanDerWaalsContact C-N 3.32Å; Q29-W62 HydrophobicContact CB-CE3 4.43Å; Q29-W62 HydrophobicContact CB-CH2 3.41Å; Q29-W62 VanDerWaalsContact CB-CH2 3.41Å; Q29-W62 HydrophobicContact CB-CZ2 3.69Å; Q29-W62 HydrophobicContact CB-CZ3 3.82Å; Q29-W62 HydrophobicContact CG-CH2 3.49Å; Q29-W62 VanDerWaalsContact CG-CH2 3.49Å; Q29-W62 HydrophobicContact CG-CZ2 4.24Å; Q29-W62 HydrophobicContact CG-CZ3 3.85Å; Q29-H70 PolarHBondContact O-CE1 2.71Å
30G90.9Very high93.4Very high55 Ų5566.3 Ų66.357%0.56736%0.355SS*.SBendtrans-90.34-173.500000116.4R26 R27 S32R26-G30 PolarHBondContact O-N 3.37Å; R27-G30 PolarHBondContact O-N 2.91Å; G30-S32 PolarHBondContact O-N 3.31Å
31V94.8Very high93.8Very high3 Ų365.9 Ų65.92%0.01835%0.353CS..  trans-70.6123-178.566.70000111.6R27 I38 L41 H70 N73 L74R27-V31 PolarHBondContact O-N 3.35Å; V31-I38 HydrophobicContact CG2-CG1 4.44Å; V31-L41 HydrophobicContact CB-CD2 3.97Å; V31-L41 HydrophobicContact CG2-CD2 4.09Å; V31-H70 PolarHBondContact O-CE1 3.46Å; V31-N73 HydrophobicContact CG1-CB 4.35Å; V31-N73 PolarHBondContact O-ND2 3.05Å; V31-L74 HydrophobicContact CG1-CD2 3.86Å; V31-L74 HydrophobicContact CG1-CG 4.2Å
32S93.5Very high94.2Very high36 Ų3662.9 Ų62.925%0.25234%0.339SS..  trans-101.4-177.3178.871.20000111.3G30 T34 S37G30-S32 PolarHBondContact O-N 3.31Å; S32-T34 VanDerWaalsContact C-N 3.29Å; S32-T34 PolarHBondContact OG-N 3.33Å; S32-T34 PolarHBondContact OG-OG1 2.92Å; S32-T34 VanDerWaalsContact OG-OG1 3.13Å; S32-S37 PolarHBondContact N-OG 3.49Å; S32-S37 WeakPolarHBondContact OG-CB 3.38Å; S32-S37 PolarHBondContact OG-OG 3.25Å
33N92.8Very high94.4Very high117 Ų11763.1 Ų63.163%0.62633%0.334SS*.SBendtrans-83.91.2171.667.3-40.3000113.4N73N33-N73 WeakPolarHBondContact CB-OD1 3.32Å
34T95.6Very high94.6Very high62 Ų6262.9 Ų62.938%0.3833%0.326SS..SBendtrans-77.9147.6-178.875.30000111.1S32 E36 S37 I38S32-T34 VanDerWaalsContact C-N 3.29Å; S32-T34 PolarHBondContact OG-N 3.33Å; S32-T34 PolarHBondContact OG-OG1 2.92Å; S32-T34 VanDerWaalsContact OG-OG1 3.13Å; T34-E36 VanDerWaalsContact C-N 3.26Å; T34-E36 WeakPolarHBondContact CB-OE2 3.35Å; T34-E36 PolarHBondContact O-N 2.84Å; T34-E36 PolarHBondContact OG1-OE2 3.38Å; T34-S37 PolarHBondContact O-N 2.99Å; T34-S37 WeakPolarHBondContact OG1-CB 3.21Å; T34-S37 PolarHBondContact OG1-N 2.95Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.91Å; T34-I38 VanDerWaalsContact O-N 3.16Å
35M94.5Very high94.6Very high121 Ų12163 Ų6360%0.59633%0.327SS*.Hα-helixtrans-62.8-38.2-175-172.1173.7-59.300111.1I38 Q39M35-I38 PolarHBondContact O-N 3.33Å; M35-Q39 HydrophobicContact CG-CG 4.21Å; M35-Q39 VanDerWaalsContact O-CB 3.28Å; M35-Q39 WeakPolarHBondContact O-CB 3.41Å; M35-Q39 VanDerWaalsContact O-CG 3.26Å; M35-Q39 WeakPolarHBondContact O-CG 3.48Å; M35-Q39 PolarHBondContact O-N 2.87Å; M35-Q39 PolarHBondContact SD-NE2 2.98Å; M35-Q39 VanDerWaalsContact SD-NE2 3.43Å
36E94.1Very high94.7Very high131 Ų13161.7 Ų61.761%0.61232%0.32SS*.Hα-helixtrans-67.3-41.8-178.5-53.867.4-143.200110.8T34 S40T34-E36 VanDerWaalsContact C-N 3.26Å; T34-E36 WeakPolarHBondContact CB-OE2 3.35Å; T34-E36 PolarHBondContact O-N 2.84Å; T34-E36 PolarHBondContact OG1-OE2 3.38Å; E36-S40 WeakPolarHBondContact O-CB 3.5Å; E36-S40 PolarHBondContact O-N 3.48Å
37S96.6Very high94.6Very high30 Ų3058 Ų5821%0.2131%0.312CS..Hα-helixtrans-63.8-47.4177-1730000110.8S32 T34 L41S32-S37 PolarHBondContact N-OG 3.49Å; S32-S37 WeakPolarHBondContact OG-CB 3.38Å; S32-S37 PolarHBondContact OG-OG 3.25Å; T34-S37 PolarHBondContact O-N 2.99Å; T34-S37 WeakPolarHBondContact OG1-CB 3.21Å; T34-S37 PolarHBondContact OG1-N 2.95Å; S37-L41 VanDerWaalsContact O-CB 3.3Å; S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 PolarHBondContact O-N 3.33Å; S37-L41 VanDerWaalsContact O-N 3.1Å
38I96.5Very high94.5Very high18 Ų1855.4 Ų55.49%0.09231%0.305CS..Hα-helixtrans-65.2-48.2179.8-69.3162.6000111.2V31 T34 M35 S42 Y76 D80V31-I38 HydrophobicContact CG2-CG1 4.44Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.91Å; T34-I38 VanDerWaalsContact O-N 3.16Å; M35-I38 PolarHBondContact O-N 3.33Å; I38-S42 WeakPolarHBondContact O-CB 3.38Å; I38-S42 PolarHBondContact O-N 3.38Å; I38-Y76 HydrophobicContact CD1-CD2 4.31Å; I38-Y76 HydrophobicContact CD1-CG 4.49Å; I38-D80 HydrophobicContact CG2-CB 4.03Å
39Q95.9Very high94.3Very high92 Ų9258.9 Ų58.943%0.4332%0.32SS..Hα-helixtrans-69.9-40.9-178.2-73.2178.72.300112.8M35 S42 T43M35-Q39 HydrophobicContact CG-CG 4.21Å; M35-Q39 VanDerWaalsContact O-CB 3.28Å; M35-Q39 WeakPolarHBondContact O-CB 3.41Å; M35-Q39 VanDerWaalsContact O-CG 3.26Å; M35-Q39 WeakPolarHBondContact O-CG 3.48Å; M35-Q39 PolarHBondContact O-N 2.87Å; M35-Q39 PolarHBondContact SD-NE2 2.98Å; M35-Q39 VanDerWaalsContact SD-NE2 3.43Å; Q39-S42 PolarHBondContact O-N 2.81Å; Q39-T43 WeakPolarHBondContact O-CB 3.37Å; Q39-T43 PolarHBondContact O-N 3.13Å; Q39-T43 PolarHBondContact O-OG1 3.37Å
40S95.9Very high94Very high76 Ų7662 Ų6253%0.53133%0.331SS..Hα-helixtrans-61.8-46.7176.6179.60000111E36 W44E36-S40 WeakPolarHBondContact O-CB 3.5Å; E36-S40 PolarHBondContact O-N 3.48Å; S40-W44 WeakPolarHBondContact O-CB 3.31Å; S40-W44 PolarHBondContact O-N 3.32Å
41L96.3Very high94.1Very high10 Ų1062.8 Ų62.85%0.05232%0.321CS..Hα-helixtrans-69.7-37.6177.3-17751.1000112.5R27 F28 V31 S37 W44 C45 L77R27-L41 HydrophobicContact CB-CD1 3.66Å; R27-L41 HydrophobicContact CB-CD2 4.28Å; R27-L41 HydrophobicContact CG-CD1 3.99Å; F28-L41 HydrophobicContact CD1-CD2 4.36Å; V31-L41 HydrophobicContact CB-CD2 3.97Å; V31-L41 HydrophobicContact CG2-CD2 4.09Å; S37-L41 VanDerWaalsContact O-CB 3.3Å; S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 PolarHBondContact O-N 3.33Å; S37-L41 VanDerWaalsContact O-N 3.1Å; L41-W44 HydrophobicContact CD1-CE3 4.04Å; L41-W44 PolarHBondContact O-N 2.93Å; L41-C45 WeakPolarHBondContact O-CB 3.18Å; L41-C45 PolarHBondContact O-N 3.19Å; L41-C45 PolarHBondContact O-SG 3.43Å; L41-L77 HydrophobicContact CB-CD1 3.93Å; L41-L77 HydrophobicContact CD2-CD1 4.21Å; L41-L77 HydrophobicContact CD2-CD2 3.5Å; L41-L77 HydrophobicContact CD2-CG 4.5Å; L41-L77 HydrophobicContact CG-CD1 3.8Å; L41-L77 HydrophobicContact CG-CD2 3.84Å; L41-L77 HydrophobicContact CG-CG 4.49Å
42S95.8Very high93.9Very high1 Ų165.6 Ų65.61%0.00733%0.333CS..Hα-helixtrans-61.7-46.2174.9176.80000112.1I38 Q39 W44 C45 I46 D80 V81I38-S42 WeakPolarHBondContact O-CB 3.38Å; I38-S42 PolarHBondContact O-N 3.38Å; Q39-S42 PolarHBondContact O-N 2.81Å; S42-W44 PolarHBondContact O-N 3.46Å; S42-C45 WeakPolarHBondContact O-CB 3.47Å; S42-C45 PolarHBondContact O-N 3.21Å; S42-I46 WeakPolarHBondContact O-CG1 3.22Å; S42-I46 PolarHBondContact O-N 2.92Å; S42-D80 WeakPolarHBondContact CB-OD2 3.34Å; S42-D80 PolarHBondContact OG-OD2 2.79Å; S42-V81 WeakPolarHBondContact OG-CG2 3.16Å; S42-V81 PolarHBondContact OG-N 3.35Å
43T95.3Very high93.9Very high69 Ų6965.5 Ų65.542%0.42334%0.338SS..Hα-helixtrans-58.4-49.1176-58.10000110.5Q39 C45 I46 E47Q39-T43 WeakPolarHBondContact O-CB 3.37Å; Q39-T43 PolarHBondContact O-N 3.13Å; Q39-T43 PolarHBondContact O-OG1 3.37Å; T43-C45 PolarHBondContact O-N 3.05Å; T43-I46 PolarHBondContact O-N 3.27Å; T43-I46 VanDerWaalsContact O-N 3.1Å; T43-E47 WeakPolarHBondContact O-CG 3.49Å; T43-E47 PolarHBondContact O-N 2.95Å
44W94.9Very high93.9Very high37 Ų3760.7 Ų60.714%0.1431%0.312CS..Hα-helixtrans-61.5-39.1177.1-177.285.4000112.9L20 L24 S40 L41 S42 I46 E47 N48L20-W44 HydrophobicContact CD1-CH2 3.66Å; L20-W44 HydrophobicContact CD1-CZ2 3.78Å; L24-W44 HydrophobicContact CD2-CH2 3.7Å; L24-W44 HydrophobicContact CD2-CZ3 3.51Å; L24-W44 HydrophobicContact CG-CH2 4.17Å; L24-W44 HydrophobicContact CG-CZ3 4.45Å; S40-W44 WeakPolarHBondContact O-CB 3.31Å; S40-W44 PolarHBondContact O-N 3.32Å; L41-W44 HydrophobicContact CD1-CE3 4.04Å; L41-W44 PolarHBondContact O-N 2.93Å; S42-W44 PolarHBondContact O-N 3.46Å; W44-I46 VanDerWaalsContact C-N 3.34Å; W44-I46 PolarHBondContact O-N 3.07Å; W44-E47 PolarHBondContact O-N 3.48Å; W44-N48 VanDerWaalsContact CE2-ND2 3.27Å; W44-N48 PolarHBondContact NE1-ND2 3.3Å; W44-N48 WeakPolarHBondContact O-CB 3.5Å; W44-N48 PolarHBondContact O-N 3.48Å; W44-N48 PolarHBondContact O-ND2 2.89Å
45C94.3Very high93.9Very high3 Ų357.8 Ų57.82%0.0229%0.294CS..Hα-helixtrans-61.1-42.1173.2-74.80000111.9L41 S42 T43 N48 K49 I55 V81 F93L41-C45 WeakPolarHBondContact O-CB 3.18Å; L41-C45 PolarHBondContact O-N 3.19Å; L41-C45 PolarHBondContact O-SG 3.43Å; S42-C45 WeakPolarHBondContact O-CB 3.47Å; S42-C45 PolarHBondContact O-N 3.21Å; T43-C45 PolarHBondContact O-N 3.05Å; C45-N48 CarbonylContact O-C 3.43Å; C45-N48 PolarHBondContact O-N 3.45Å; C45-K49 PolarHBondContact O-N 3Å; C45-I55 HydrophobicContact CB-CG2 4.26Å; C45-V81 HydrophobicContact CB-CG2 4.04Å; C45-F93 WeakPolarHBondContact O-CE2 3.31Å; C45-F93 WeakPolarHBondContact O-CZ 3.35Å
46I93.6Very high93.9Very high14 Ų1452.3 Ų52.37%0.07227%0.268CS..Hα-helixtrans-68.6-39.1179.5-70.9168.7000111.8S42 T43 W44 N48 K49 V81 N84 K88 A90S42-I46 WeakPolarHBondContact O-CG1 3.22Å; S42-I46 PolarHBondContact O-N 2.92Å; T43-I46 PolarHBondContact O-N 3.27Å; T43-I46 VanDerWaalsContact O-N 3.1Å; W44-I46 VanDerWaalsContact C-N 3.34Å; W44-I46 PolarHBondContact O-N 3.07Å; I46-N48 VanDerWaalsContact C-N 3.31Å; I46-K49 VanDerWaalsContact O-CB 3.32Å; I46-K49 WeakPolarHBondContact O-CB 3.35Å; I46-K49 PolarHBondContact O-N 2.96Å; I46-V81 HydrophobicContact CG1-CG1 4.31Å; I46-N84 HydrophobicContact CD1-CB 3.76Å; I46-K88 HydrophobicContact CG2-CB 3.37Å; I46-K88 HydrophobicContact CG2-CG 3.87Å; I46-A90 HydrophobicContact CG2-CB 4.1Å
47E92.5Very high93.9Very high128 Ų12853.7 Ų53.760%0.59827%0.267SS*.Hα-helixtrans-60.7-43172.3-71.4166.3173.600111T43 W44 K49T43-E47 WeakPolarHBondContact O-CG 3.49Å; T43-E47 PolarHBondContact O-N 2.95Å; W44-E47 PolarHBondContact O-N 3.48Å; E47-K49 PolarHBondContact O-N 2.98Å; E47-K49 VanDerWaalsContact O-N 3.16Å
48N90.9Very high93.8Very high38 Ų3853.6 Ų53.620%0.20326%0.262CS..THydrogen-bonded Turntrans-83.724.3179.5-70.3-86.9000113.7W44 C45 I46 K50 H51 I55W44-N48 VanDerWaalsContact CE2-ND2 3.27Å; W44-N48 PolarHBondContact NE1-ND2 3.3Å; W44-N48 WeakPolarHBondContact O-CB 3.5Å; W44-N48 PolarHBondContact O-N 3.48Å; W44-N48 PolarHBondContact O-ND2 2.89Å; C45-N48 CarbonylContact O-C 3.43Å; C45-N48 PolarHBondContact O-N 3.45Å; I46-N48 VanDerWaalsContact C-N 3.31Å; N48-K50 PolarHBondContact O-N 3.15Å; N48-H51 PolarHBondContact O-N 3.1Å; N48-I55 HydrophobicContact CB-CD1 3.91Å; N48-I55 WeakPolarHBondContact O-CD1 3.48Å
49K90.3Very high93.8Very high74 Ų7452.8 Ų52.832%0.32226%0.258SS..G310 helixtrans-53.3-22.4-179.665.6-174.3-177.8-176.40115.5C45 I46 E47 H51 H52 K88 N89 A90 F93C45-K49 PolarHBondContact O-N 3Å; I46-K49 VanDerWaalsContact O-CB 3.32Å; I46-K49 WeakPolarHBondContact O-CB 3.35Å; I46-K49 PolarHBondContact O-N 2.96Å; E47-K49 PolarHBondContact O-N 2.98Å; E47-K49 VanDerWaalsContact O-N 3.16Å; K49-H51 PolarHBondContact O-N 3.04Å; K49-H52 WeakPolarHBondContact O-CB 3.48Å; K49-H52 PolarHBondContact O-N 3.46Å; K49-H52 VanDerWaalsContact O-N 3.17Å; K49-H52 PolarHBondContact O-ND1 3.3Å; K49-K88 PolarHBondContact NZ-O 3.25Å; K49-N89 PolarHBondContact NZ-O 3.47Å; K49-A90 HydrophobicContact CB-CB 4.05Å; K49-A90 HydrophobicContact CD-CB 3.69Å; K49-F93 HydrophobicContact CB-CE2 3.84Å
50K89.8Confident93.7Very high186 Ų18649.4 Ų49.481%0.80924%0.243SC*.G310 helixtrans-55.2-31170.4-65.4-175.2-178.9-179.30112.1N48N48-K50 PolarHBondContact O-N 3.15Å
51H91.3Very high93.7Very high73 Ų7350.1 Ų50.134%0.33824%0.236SC..G310 helixtrans-10821.8-178.4-53.2-76000113L20 N48 K49 G53 L54 I55L20-H51 HydrophobicContact CD2-CB 3.72Å; N48-H51 PolarHBondContact O-N 3.1Å; K49-H51 PolarHBondContact O-N 3.04Å; H51-G53 VanDerWaalsContact C-N 3.26Å; H51-G53 PolarHBondContact O-N 3.07Å; H51-G53 VanDerWaalsContact O-N 3.12Å; H51-L54 HydrophobicContact CB-CB 4.37Å; H51-L54 WeakPolarHBondContact O-CA 3.49Å; H51-L54 WeakPolarHBondContact O-CB 3.46Å; H51-L54 PolarHBondContact O-N 3.37Å; H51-I55 HydrophobicContact CB-CD1 4.42Å; H51-I55 WeakPolarHBondContact O-CG1 3.26Å; H51-I55 PolarHBondContact O-N 3.5Å
52H92.1Very high93.6Very high62 Ų6250.4 Ų50.429%0.28724%0.237SC..Hα-helixtrans-47.7-43.3-177.662.3-79.1000113.6K49 L54 I55 V56 V92 F93K49-H52 WeakPolarHBondContact O-CB 3.48Å; K49-H52 PolarHBondContact O-N 3.46Å; K49-H52 VanDerWaalsContact O-N 3.17Å; K49-H52 PolarHBondContact O-ND1 3.3Å; H52-L54 PolarHBondContact O-N 2.95Å; H52-I55 PolarHBondContact O-N 3.02Å; H52-V56 WeakPolarHBondContact O-CG2 3.37Å; H52-V56 PolarHBondContact O-N 3.28Å; H52-V92 HydrophobicContact CB-CG2 4.01Å; H52-F93 HydrophobicContact CB-CD1 3.96Å; H52-F93 HydrophobicContact CB-CD2 4.42Å; H52-F93 HydrophobicContact CB-CE1 3.59Å; H52-F93 HydrophobicContact CB-CE2 4.08Å; H52-F93 HydrophobicContact CB-CG 4.36Å; H52-F93 HydrophobicContact CB-CZ 3.65Å
53G92.4Very high93.5Very high34 Ų3450.3 Ų50.335%0.35124%0.236SC..Hα-helixtrans-65.1-34176.700000114.2H51 R57H51-G53 VanDerWaalsContact C-N 3.26Å; H51-G53 PolarHBondContact O-N 3.07Å; H51-G53 VanDerWaalsContact O-N 3.12Å; G53-R57 WeakPolarHBondContact O-CB 3.38Å; G53-R57 VanDerWaalsContact O-CG 3.27Å; G53-R57 WeakPolarHBondContact O-CG 3.3Å; G53-R57 PolarHBondContact O-N 3.3Å; G53-R57 PolarHBondContact O-NE 2.97Å
54L93Very high93.4Very high15 Ų1553.4 Ų53.48%0.07924%0.244CC..Hα-helixtrans-72.2-44.1173.4-179.368000110.9L20 E21 L24 H51 H52 V56 R57 Y58L20-L54 HydrophobicContact CD2-CD2 3.84Å; L20-L54 HydrophobicContact CG-CD2 4.26Å; E21-L54 HydrophobicContact CG-CD1 4.07Å; E21-L54 HydrophobicContact CG-CD2 3.96Å; E21-L54 HydrophobicContact CG-CG 4.48Å; E21-L54 WeakPolarHBondContact OE1-CD1 3.39Å; L24-L54 HydrophobicContact CD1-CD2 3.82Å; L24-L54 HydrophobicContact CD1-CG 3.73Å; H51-L54 HydrophobicContact CB-CB 4.37Å; H51-L54 WeakPolarHBondContact O-CA 3.49Å; H51-L54 WeakPolarHBondContact O-CB 3.46Å; H51-L54 PolarHBondContact O-N 3.37Å; H52-L54 PolarHBondContact O-N 2.95Å; L54-V56 PolarHBondContact O-N 2.93Å; L54-R57 VanDerWaalsContact CD1-NH2 3.26Å; L54-R57 PolarHBondContact O-N 2.92Å; L54-Y58 HydrophobicContact CD1-CD2 3.76Å; L54-Y58 HydrophobicContact CD1-CE2 3.64Å; L54-Y58 HydrophobicContact CG-CD2 4.27Å; L54-Y58 HydrophobicContact CG-CE2 4.49Å; L54-Y58 PolarHBondContact O-N 3.4Å
55I94.9Very high93.2Very high2 Ų258.9 Ų58.91%0.0127%0.269CS..Hα-helixtrans-56.9-48.7177.8-66165.6000110.4L24 F28 C45 N48 H51 H52 Y58 W59 F93L24-I55 HydrophobicContact CD2-CB 4.43Å; L24-I55 HydrophobicContact CD2-CG1 3.86Å; F28-I55 HydrophobicContact CZ-CG2 3.97Å; F28-I55 WeakPolarHBondContact CZ-O 3.33Å; C45-I55 HydrophobicContact CB-CG2 4.26Å; N48-I55 HydrophobicContact CB-CD1 3.91Å; N48-I55 WeakPolarHBondContact O-CD1 3.48Å; H51-I55 HydrophobicContact CB-CD1 4.42Å; H51-I55 WeakPolarHBondContact O-CG1 3.26Å; H51-I55 PolarHBondContact O-N 3.5Å; H52-I55 PolarHBondContact O-N 3.02Å; I55-Y58 PolarHBondContact O-N 2.82Å; I55-W59 WeakPolarHBondContact O-CB 3.39Å; I55-W59 PolarHBondContact O-N 3.32Å; I55-F93 HydrophobicContact CB-CE1 4.21Å; I55-F93 HydrophobicContact CD1-CE1 4.31Å; I55-F93 HydrophobicContact CD1-CZ 3.86Å; I55-F93 HydrophobicContact CG2-CE1 3.99Å; I55-F93 HydrophobicContact CG2-CZ 4.47Å
56V95.8Very high93.1Very high6 Ų659.4 Ų59.44%0.03627%0.272CS..Hα-helixtrans-68.3-36.3179.5175.40000112H52 L54 W59 M60 F93 A96 F97 V100H52-V56 WeakPolarHBondContact O-CG2 3.37Å; H52-V56 PolarHBondContact O-N 3.28Å; L54-V56 PolarHBondContact O-N 2.93Å; V56-W59 PolarHBondContact O-N 3.26Å; V56-M60 PolarHBondContact O-N 3.42Å; V56-F93 HydrophobicContact CG2-CD1 4.12Å; V56-F93 HydrophobicContact CG2-CE1 4.35Å; V56-A96 HydrophobicContact CB-CB 4.47Å; V56-A96 HydrophobicContact CG2-CB 3.95Å; V56-F97 HydrophobicContact CG1-CD1 4.21Å; V56-F97 HydrophobicContact CG1-CE1 4.39Å; V56-F97 HydrophobicContact CG2-CD1 4.25Å; V56-F97 HydrophobicContact CG2-CD2 4.04Å; V56-F97 HydrophobicContact CG2-CE1 4.11Å; V56-F97 HydrophobicContact CG2-CE2 3.88Å; V56-F97 HydrophobicContact CG2-CG 4.22Å; V56-F97 HydrophobicContact CG2-CZ 3.92Å; V56-V100 HydrophobicContact CG1-CB 4.34Å; V56-V100 HydrophobicContact CG1-CG1 3.89Å; V56-V100 HydrophobicContact CG1-CG2 3.49Å; V56-V100 VanDerWaalsContact CG1-CG2 3.49Å
57R93.6Very high93Very high159 Ų15962.5 Ų62.560%0.629%0.289SS*.Hα-helixtrans-62.1-44.8171.9-78.3-172.5-61.1132.7-6.8112.1G53 L54 M60 K61G53-R57 WeakPolarHBondContact O-CB 3.38Å; G53-R57 VanDerWaalsContact O-CG 3.27Å; G53-R57 WeakPolarHBondContact O-CG 3.3Å; G53-R57 PolarHBondContact O-N 3.3Å; G53-R57 PolarHBondContact O-NE 2.97Å; L54-R57 VanDerWaalsContact CD1-NH2 3.26Å; L54-R57 PolarHBondContact O-N 2.92Å; R57-M60 PolarHBondContact O-N 3.26Å; R57-K61 WeakPolarHBondContact O-CB 3.46Å; R57-K61 PolarHBondContact O-N 3.35Å
58Y94.8Very high92.9Very high28 Ų2860 Ų6011%0.1128%0.277CS..Hα-helixtrans-70.1-35.8178.6-91-116.8000112.5E21 L24 D25 L54 I55 M60 K61 W62E21-Y58 HydrophobicContact CB-CE1 4.06Å; E21-Y58 WeakPolarHBondContact CB-OH 3.29Å; E21-Y58 VanDerWaalsContact CD-OH 3.3Å; E21-Y58 HydrophobicContact CG-CE1 4.33Å; E21-Y58 HydrophobicContact CG-CE2 3.99Å; E21-Y58 WeakPolarHBondContact CG-OH 3.16Å; E21-Y58 WeakPolarHBondContact O-CE1 3.5Å; E21-Y58 PolarHBondContact OE2-OH 3.03Å; L24-Y58 HydrophobicContact CB-CD1 3.61Å; L24-Y58 HydrophobicContact CB-CE1 4.32Å; L24-Y58 HydrophobicContact CB-CG 4.02Å; L24-Y58 HydrophobicContact CD1-CD1 4.39Å; L24-Y58 HydrophobicContact CD1-CD2 4.42Å; L24-Y58 HydrophobicContact CD1-CG 4.11Å; D25-Y58 WeakPolarHBondContact OD1-CD1 3.43Å; D25-Y58 WeakPolarHBondContact OD1-CE1 3.19Å; L54-Y58 HydrophobicContact CD1-CD2 3.76Å; L54-Y58 HydrophobicContact CD1-CE2 3.64Å; L54-Y58 HydrophobicContact CG-CD2 4.27Å; L54-Y58 HydrophobicContact CG-CE2 4.49Å; L54-Y58 PolarHBondContact O-N 3.4Å; I55-Y58 PolarHBondContact O-N 2.82Å; Y58-M60 VanDerWaalsContact C-N 3.33Å; Y58-M60 PolarHBondContact O-N 2.84Å; Y58-K61 HydrophobicContact CD1-CD 4.21Å; Y58-K61 HydrophobicContact CE1-CD 4.27Å; Y58-K61 HydrophobicContact CG-CD 4.45Å; Y58-K61 WeakPolarHBondContact O-CB 3.48Å; Y58-K61 PolarHBondContact O-N 2.81Å; Y58-W62 PolarHBondContact O-N 3.04Å
59W96.4Very high93Very high1 Ų163.2 Ų63.20%0.00429%0.294CS..Hα-helixtrans-57.1-46.8169.7177.188.9000111.3F28 I55 V56 W62 L63 L74 F75 A78 F97 V100 A104F28-W59 HydrophobicContact CE1-CB 4.02Å; F28-W59 HydrophobicContact CE1-CG 4.48Å; F28-W59 HydrophobicContact CE2-CB 4.38Å; F28-W59 HydrophobicContact CZ-CB 3.86Å; I55-W59 WeakPolarHBondContact O-CB 3.39Å; I55-W59 PolarHBondContact O-N 3.32Å; V56-W59 PolarHBondContact O-N 3.26Å; W59-W62 PolarHBondContact O-N 3.09Å; W59-L63 HydrophobicContact CH2-CD2 3.78Å; W59-L63 HydrophobicContact CZ2-CD1 4.3Å; W59-L63 HydrophobicContact CZ2-CD2 4.29Å; W59-L63 HydrophobicContact CZ3-CD2 4.01Å; W59-L63 WeakPolarHBondContact O-CB 3.19Å; W59-L63 PolarHBondContact O-N 2.85Å; W59-L74 PolarHBondContact NE1-O 2.95Å; W59-F75 HydrophobicContact CH2-CE2 4.36Å; W59-F75 HydrophobicContact CH2-CZ 4.29Å; W59-F75 HydrophobicContact CZ2-CD2 4.41Å; W59-F75 HydrophobicContact CZ2-CE2 4.47Å; W59-A78 HydrophobicContact CZ2-CB 3.75Å; W59-F97 AromaticContact CD2-CE1 3.74Å; W59-F97 HydrophobicContact CD2-CE1 3.74Å; W59-F97 HydrophobicContact CE3-CD1 4.37Å; W59-F97 AromaticContact CE3-CE1 3.9Å; W59-F97 HydrophobicContact CE3-CE1 3.9Å; W59-F97 HydrophobicContact CG-CE1 4.05Å; W59-F97 HydrophobicContact CZ2-CE1 4.5Å; W59-F97 HydrophobicContact CZ3-CD1 4.45Å; W59-F97 HydrophobicContact CZ3-CE1 4.34Å; W59-V100 HydrophobicContact CE3-CG2 4.24Å; W59-V100 HydrophobicContact CZ3-CG2 3.93Å; W59-A104 HydrophobicContact CH2-CB 3.69Å; W59-A104 HydrophobicContact CZ3-CB 3.81Å
60M94.6Very high93.2Very high22 Ų2261.1 Ų61.111%0.10829%0.285CS..Hα-helixtrans-68.6-34.7177.7-171.563179.200112.9V56 R57 Y58 L63 K64 N103 A104 L107V56-M60 PolarHBondContact O-N 3.42Å; R57-M60 PolarHBondContact O-N 3.26Å; Y58-M60 VanDerWaalsContact C-N 3.33Å; Y58-M60 PolarHBondContact O-N 2.84Å; M60-L63 PolarHBondContact O-N 3.02Å; M60-L63 HydrophobicContact SD-CD2 4.04Å; M60-K64 WeakPolarHBondContact O-CG 3.32Å; M60-K64 PolarHBondContact O-N 3.05Å; M60-K64 VanDerWaalsContact O-N 3.17Å; M60-N103 HydrophobicContact CE-CB 3.79Å; M60-A104 HydrophobicContact SD-CB 4.09Å; M60-L107 HydrophobicContact CE-CD1 3.91Å; M60-L107 HydrophobicContact SD-CD1 4.49Å
61K94.4Very high93.4Very high90 Ų9054.1 Ų54.139%0.39125%0.254SS..Hα-helixtrans-58-49.5171.6175.6-166.7176.2-168.40110.7D25 R57 Y58 K64 K65D25-K61 IonicContact OD1-NZ 2.67Å; D25-K61 PolarHBondContact OD1-NZ 3.15Å; D25-K61 IonicContact OD2-NZ 2.61Å; D25-K61 PolarHBondContact OD2-NZ 2.91Å; R57-K61 WeakPolarHBondContact O-CB 3.46Å; R57-K61 PolarHBondContact O-N 3.35Å; Y58-K61 HydrophobicContact CD1-CD 4.21Å; Y58-K61 HydrophobicContact CE1-CD 4.27Å; Y58-K61 HydrophobicContact CG-CD 4.45Å; Y58-K61 WeakPolarHBondContact O-CB 3.48Å; Y58-K61 PolarHBondContact O-N 2.81Å; K61-K64 PolarHBondContact O-N 2.93Å; K61-K65 PolarHBondContact O-N 3.41Å
62W94.6Very high93.5Very high16 Ų1651.4 Ų51.46%0.06124%0.242CC..Hα-helixtrans-68-42.5177.5-84.890.7000112.6D25 F28 Q29 Y58 W59 K64 K65 S66 L74D25-W62 HydrophobicContact CB-CZ2 4.46Å; D25-W62 PolarHBondContact OD1-NE1 3.49Å; F28-W62 HydrophobicContact CB-CB 3.95Å; F28-W62 VanDerWaalsContact CB-CD1 3.48Å; F28-W62 HydrophobicContact CB-CD2 4.2Å; F28-W62 HydrophobicContact CB-CG 3.56Å; Q29-W62 HydrophobicContact CB-CE3 4.43Å; Q29-W62 HydrophobicContact CB-CH2 3.41Å; Q29-W62 VanDerWaalsContact CB-CH2 3.41Å; Q29-W62 HydrophobicContact CB-CZ2 3.69Å; Q29-W62 HydrophobicContact CB-CZ3 3.82Å; Q29-W62 HydrophobicContact CG-CH2 3.49Å; Q29-W62 VanDerWaalsContact CG-CH2 3.49Å; Q29-W62 HydrophobicContact CG-CZ2 4.24Å; Q29-W62 HydrophobicContact CG-CZ3 3.85Å; Y58-W62 PolarHBondContact O-N 3.04Å; W59-W62 PolarHBondContact O-N 3.09Å; W62-K64 PolarHBondContact O-N 2.96Å; W62-K64 VanDerWaalsContact O-N 3.15Å; W62-K65 HydrophobicContact CE3-CD 4.33Å; W62-K65 HydrophobicContact CH2-CD 4.2Å; W62-K65 HydrophobicContact CZ3-CD 4.04Å; W62-K65 PolarHBondContact O-N 3.08Å; W62-S66 VanDerWaalsContact O-CB 3.28Å; W62-S66 WeakPolarHBondContact O-CB 3.33Å; W62-S66 PolarHBondContact O-N 3.1Å; W62-S66 PolarHBondContact O-OG 3.38Å; W62-L74 HydrophobicContact CB-CD1 4.04Å
63L94.1Very high93.7Very high0 Ų049.5 Ų49.50%023%0.234CC..Hα-helixtrans-55.4-36.6177.1-165.679.4000112.8W59 M60 R71 L74 F75 A104 L107W59-L63 HydrophobicContact CH2-CD2 3.78Å; W59-L63 HydrophobicContact CZ2-CD1 4.3Å; W59-L63 HydrophobicContact CZ2-CD2 4.29Å; W59-L63 HydrophobicContact CZ3-CD2 4.01Å; W59-L63 WeakPolarHBondContact O-CB 3.19Å; W59-L63 PolarHBondContact O-N 2.85Å; M60-L63 PolarHBondContact O-N 3.02Å; M60-L63 HydrophobicContact SD-CD2 4.04Å; L63-R71 HydrophobicContact CD1-CB 3.89Å; L63-R71 HydrophobicContact CD1-CG 3.77Å; L63-R71 HydrophobicContact CG-CG 4.16Å; L63-R71 WeakPolarHBondContact O-CG 3.25Å; L63-R71 PolarHBondContact O-NE 3.49Å; L63-L74 HydrophobicContact CB-CD1 4.24Å; L63-L74 HydrophobicContact CD1-CB 3.93Å; L63-L74 HydrophobicContact CD1-CD1 4.08Å; L63-F75 HydrophobicContact CD1-CD2 3.91Å; L63-F75 HydrophobicContact CD1-CE2 3.94Å; L63-F75 HydrophobicContact CD2-CE2 3.96Å; L63-A104 HydrophobicContact CD2-CB 3.43Å; L63-A104 VanDerWaalsContact CD2-CB 3.43Å; L63-L107 HydrophobicContact CD2-CD1 4.05Å; L63-L107 HydrophobicContact CG-CD1 4.3Å
64K92.3Very high93.9Very high133 Ų13347.9 Ų47.958%0.57822%0.217SC*.Hα-helixtrans-67.9-42.4173.6-72.1174.2-179.8-176.40113M60 K61 W62 L107M60-K64 WeakPolarHBondContact O-CG 3.32Å; M60-K64 PolarHBondContact O-N 3.05Å; M60-K64 VanDerWaalsContact O-N 3.17Å; K61-K64 PolarHBondContact O-N 2.93Å; W62-K64 PolarHBondContact O-N 2.96Å; W62-K64 VanDerWaalsContact O-N 3.15Å; K64-L107 HydrophobicContact CG-CD1 3.73Å
65K91.6Very high94Very high153 Ų15347.2 Ų47.267%0.66521%0.214SC*.Hα-helixtrans-75.6-31.6-176.7-175.8-179.5173.6-173.20113.3K61 W62K61-K65 PolarHBondContact O-N 3.41Å; W62-K65 HydrophobicContact CE3-CD 4.33Å; W62-K65 HydrophobicContact CH2-CD 4.2Å; W62-K65 HydrophobicContact CZ3-CD 4.04Å; W62-K65 PolarHBondContact O-N 3.08Å
66S91.9Very high94.1Very high14 Ų1450.8 Ų50.810%0.09823%0.228CC..SBendtrans-76.5159.8-172.5-72.60000114.7W62 H70 R71W62-S66 VanDerWaalsContact O-CB 3.28Å; W62-S66 WeakPolarHBondContact O-CB 3.33Å; W62-S66 PolarHBondContact O-N 3.1Å; W62-S66 PolarHBondContact O-OG 3.38Å; S66-H70 PolarHBondContact OG-CD2 2.93Å; S66-R71 PolarHBondContact O-NE 3.3Å; S66-R71 PolarHBondContact O-NH2 3.09Å
67D91.5Very high94.2Very high79 Ų7950.6 Ų50.642%0.42223%0.226SC..  trans-77.1-176.8172.385.2-56.7000112.2N69 H70 R71D67-N69 WeakPolarHBondContact OD2-CB 3.36Å; D67-N69 PolarHBondContact OD2-N 3.02Å; D67-N69 PolarHBondContact OD2-ND2 2.74Å; D67-H70 WeakPolarHBondContact OD1-CB 3.15Å; D67-H70 PolarHBondContact OD1-N 3.04Å; D67-R71 VanDerWaalsContact O-CB 3.26Å; D67-R71 WeakPolarHBondContact O-CB 3.43Å; D67-R71 WeakPolarHBondContact O-CD 3.36Å; D67-R71 WeakPolarHBondContact O-CG 3.47Å; D67-R71 PolarHBondContact O-N 3.26Å
68H91.7Very high94.3Very high74 Ų7443 Ų4334%0.34320%0.198SC..Hα-helixtrans-62.9-42.1180-63.7111.8000113.5L72 D110 V113H68-L72 PolarHBondContact O-N 3.41Å; H68-D110 HydrophobicContact CB-CB 4.12Å; H68-V113 HydrophobicContact CB-CG2 4.14Å; H68-V113 WeakPolarHBondContact O-CG2 3.35Å
69N91.5Very high94.3Very high106 Ų10643 Ų4357%0.56720%0.2SC*.Hα-helixtrans-70.1-45.7-178.1-60.7-77000111.1D67 R71 L72 N73D67-N69 WeakPolarHBondContact OD2-CB 3.36Å; D67-N69 PolarHBondContact OD2-N 3.02Å; D67-N69 PolarHBondContact OD2-ND2 2.74Å; N69-R71 VanDerWaalsContact C-N 3.33Å; N69-R71 PolarHBondContact O-N 3.47Å; N69-L72 WeakPolarHBondContact O-CA 3.41Å; N69-L72 VanDerWaalsContact O-CB 3.31Å; N69-L72 WeakPolarHBondContact O-CB 3.3Å; N69-L72 PolarHBondContact O-N 2.88Å; N69-N73 PolarHBondContact O-N 3.44Å; N69-N73 VanDerWaalsContact O-N 3.14Å
70H94.1Very high94.3Very high30 Ų3044.5 Ų44.514%0.13921%0.208CC..Hα-helixtrans-70.5-30.5179.6-163.794.7000112.5F28 Q29 V31 S66 D67 L72 N73 L74F28-H70 PolarHBondContact O-CE1 3Å; F28-H70 PolarHBondContact O-NE2 3.32Å; Q29-H70 PolarHBondContact O-CE1 2.71Å; V31-H70 PolarHBondContact O-CE1 3.46Å; S66-H70 PolarHBondContact OG-CD2 2.93Å; D67-H70 WeakPolarHBondContact OD1-CB 3.15Å; D67-H70 PolarHBondContact OD1-N 3.04Å; H70-L72 VanDerWaalsContact C-N 3.27Å; H70-L72 PolarHBondContact O-N 3.32Å; H70-N73 PolarHBondContact O-N 2.94Å; H70-L74 WeakPolarHBondContact O-CG 3.34Å; H70-L74 PolarHBondContact O-N 2.89Å
71R94.1Very high94.3Very high39 Ų3943.5 Ų43.515%0.14720%0.203CC..Hα-helixtrans-58.1-38.7166.7-77.6172-168.6161.422.4112.1L63 S66 D67 N69 L74 F75 L107 I108L63-R71 HydrophobicContact CD1-CB 3.89Å; L63-R71 HydrophobicContact CD1-CG 3.77Å; L63-R71 HydrophobicContact CG-CG 4.16Å; L63-R71 WeakPolarHBondContact O-CG 3.25Å; L63-R71 PolarHBondContact O-NE 3.49Å; S66-R71 PolarHBondContact O-NE 3.3Å; S66-R71 PolarHBondContact O-NH2 3.09Å; D67-R71 VanDerWaalsContact O-CB 3.26Å; D67-R71 WeakPolarHBondContact O-CB 3.43Å; D67-R71 WeakPolarHBondContact O-CD 3.36Å; D67-R71 WeakPolarHBondContact O-CG 3.47Å; D67-R71 PolarHBondContact O-N 3.26Å; N69-R71 VanDerWaalsContact C-N 3.33Å; N69-R71 PolarHBondContact O-N 3.47Å; R71-L74 PolarHBondContact O-N 3.4Å; R71-F75 WeakPolarHBondContact O-CD2 3.3Å; R71-F75 PolarHBondContact O-N 3.25Å; R71-L107 PolarHBondContact NH1-O 3.41Å; R71-I108 HydrophobicContact CB-CD1 3.98Å
72L94.4Very high94.3Very high17 Ų1739.2 Ų39.29%0.08918%0.184CC..Hα-helixtrans-66.4-43.4176.6-175.354.1000111.7H68 N69 H70 L74 F75 Y76 V113 V117H68-L72 PolarHBondContact O-N 3.41Å; N69-L72 WeakPolarHBondContact O-CA 3.41Å; N69-L72 VanDerWaalsContact O-CB 3.31Å; N69-L72 WeakPolarHBondContact O-CB 3.3Å; N69-L72 PolarHBondContact O-N 2.88Å; H70-L72 VanDerWaalsContact C-N 3.27Å; H70-L72 PolarHBondContact O-N 3.32Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.2Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-F75 VanDerWaalsContact O-N 3.08Å; L72-Y76 HydrophobicContact CD1-CD1 4.42Å; L72-Y76 HydrophobicContact CD1-CE1 3.82Å; L72-Y76 HydrophobicContact CD1-CE2 4.06Å; L72-Y76 HydrophobicContact CD2-CE2 4.13Å; L72-Y76 HydrophobicContact CG-CD2 4.27Å; L72-Y76 HydrophobicContact CG-CE1 4.33Å; L72-Y76 HydrophobicContact CG-CE2 3.64Å; L72-Y76 PolarHBondContact O-N 2.91Å; L72-V113 HydrophobicContact CB-CG1 3.97Å; L72-V113 HydrophobicContact CB-CG2 4.31Å; L72-V113 HydrophobicContact CD1-CG1 4.18Å; L72-V113 HydrophobicContact CD2-CG2 4.39Å; L72-V117 HydrophobicContact CD1-CG2 4.49Å
73N95.9Very high94.2Very high22 Ų2240.3 Ų40.312%0.11819%0.19CC..Hα-helixtrans-58.3-44.1174.7-61.5-10.3000111.5V31 N33 N69 H70 F75 Y76 L77V31-N73 HydrophobicContact CG1-CB 4.35Å; V31-N73 PolarHBondContact O-ND2 3.05Å; N33-N73 WeakPolarHBondContact CB-OD1 3.32Å; N69-N73 PolarHBondContact O-N 3.44Å; N69-N73 VanDerWaalsContact O-N 3.14Å; H70-N73 PolarHBondContact O-N 2.94Å; N73-F75 VanDerWaalsContact C-N 3.32Å; N73-F75 PolarHBondContact O-N 3.28Å; N73-Y76 PolarHBondContact O-N 3.47Å; N73-L77 PolarHBondContact O-N 2.85Å
74L96.3Very high94Very high0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-62-36.6174.4-73.1168.6000112.5F28 V31 W59 W62 L63 H70 R71 L72 L77 A78F28-L74 HydrophobicContact CB-CD2 4.35Å; F28-L74 HydrophobicContact CD1-CD2 3.85Å; F28-L74 HydrophobicContact CG-CD2 4.46Å; V31-L74 HydrophobicContact CG1-CD2 3.86Å; V31-L74 HydrophobicContact CG1-CG 4.2Å; W59-L74 PolarHBondContact NE1-O 2.95Å; W62-L74 HydrophobicContact CB-CD1 4.04Å; L63-L74 HydrophobicContact CB-CD1 4.24Å; L63-L74 HydrophobicContact CD1-CB 3.93Å; L63-L74 HydrophobicContact CD1-CD1 4.08Å; H70-L74 WeakPolarHBondContact O-CG 3.34Å; H70-L74 PolarHBondContact O-N 2.89Å; R71-L74 PolarHBondContact O-N 3.4Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.2Å; L74-L77 PolarHBondContact O-N 2.84Å; L74-A78 PolarHBondContact O-N 3.21Å
75F96.3Very high93.9Very high0 Ų035.7 Ų35.70%017%0.172CC..Hα-helixtrans-69.6-36173.5-98.2-85.3000113W59 L63 R71 L72 N73 A78 N79 L101 A104 I108 V117 I120 F121W59-F75 HydrophobicContact CH2-CE2 4.36Å; W59-F75 HydrophobicContact CH2-CZ 4.29Å; W59-F75 HydrophobicContact CZ2-CD2 4.41Å; W59-F75 HydrophobicContact CZ2-CE2 4.47Å; L63-F75 HydrophobicContact CD1-CD2 3.91Å; L63-F75 HydrophobicContact CD1-CE2 3.94Å; L63-F75 HydrophobicContact CD2-CE2 3.96Å; R71-F75 WeakPolarHBondContact O-CD2 3.3Å; R71-F75 PolarHBondContact O-N 3.25Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-F75 VanDerWaalsContact O-N 3.08Å; N73-F75 VanDerWaalsContact C-N 3.32Å; N73-F75 PolarHBondContact O-N 3.28Å; F75-A78 PolarHBondContact O-N 3.36Å; F75-N79 WeakPolarHBondContact O-CB 3.36Å; F75-N79 PolarHBondContact O-N 3.07Å; F75-L101 HydrophobicContact CE1-CD2 3.88Å; F75-A104 HydrophobicContact CE2-CB 4.3Å; F75-A104 HydrophobicContact CZ-CB 3.83Å; F75-I108 HydrophobicContact CD2-CD1 4.09Å; F75-I108 HydrophobicContact CD2-CG1 4.47Å; F75-I108 HydrophobicContact CE2-CD1 3.76Å; F75-I108 HydrophobicContact CE2-CG1 3.83Å; F75-I108 HydrophobicContact CZ-CG1 4.35Å; F75-V117 HydrophobicContact CB-CG2 4.12Å; F75-V117 HydrophobicContact CD1-CG1 3.9Å; F75-V117 HydrophobicContact CD1-CG2 3.93Å; F75-V117 HydrophobicContact CD2-CG2 4.08Å; F75-V117 HydrophobicContact CE1-CG1 3.68Å; F75-V117 HydrophobicContact CE1-CG2 4.35Å; F75-V117 HydrophobicContact CE2-CG2 4.49Å; F75-V117 HydrophobicContact CG-CG2 3.77Å; F75-V117 HydrophobicContact CZ-CG1 4.15Å; F75-I120 HydrophobicContact CB-CD1 4.3Å; F75-F121 HydrophobicContact CE1-CE1 4.19Å; F75-F121 HydrophobicContact CE1-CZ 4.13Å
76Y96.7Very high93.7Very high77 Ų7735.1 Ų35.130%0.30217%0.169SC..Hα-helixtrans-65-40.1172.1-64.5-36.6000112.2I38 L72 N73 N79 D80 I120I38-Y76 HydrophobicContact CD1-CD2 4.31Å; I38-Y76 HydrophobicContact CD1-CG 4.49Å; L72-Y76 HydrophobicContact CD1-CD1 4.42Å; L72-Y76 HydrophobicContact CD1-CE1 3.82Å; L72-Y76 HydrophobicContact CD1-CE2 4.06Å; L72-Y76 HydrophobicContact CD2-CE2 4.13Å; L72-Y76 HydrophobicContact CG-CD2 4.27Å; L72-Y76 HydrophobicContact CG-CE1 4.33Å; L72-Y76 HydrophobicContact CG-CE2 3.64Å; L72-Y76 PolarHBondContact O-N 2.91Å; N73-Y76 PolarHBondContact O-N 3.47Å; Y76-N79 WeakPolarHBondContact O-CB 3.36Å; Y76-N79 PolarHBondContact O-N 3.39Å; Y76-D80 PolarHBondContact O-N 2.66Å; Y76-I120 HydrophobicContact CD1-CD1 3.87Å; Y76-I120 HydrophobicContact CE1-CD1 4.12Å
77L96.9Very high93.5Very high2 Ų243.1 Ų43.11%0.0120%0.197CC..Hα-helixtrans-60.4-48.5171.9176.265.3000112.3F28 L41 N73 L74 N79 D80 V81F28-L77 HydrophobicContact CD1-CD2 3.87Å; F28-L77 HydrophobicContact CE1-CD2 3.63Å; L41-L77 HydrophobicContact CB-CD1 3.93Å; L41-L77 HydrophobicContact CD2-CD1 4.21Å; L41-L77 HydrophobicContact CD2-CD2 3.5Å; L41-L77 HydrophobicContact CD2-CG 4.5Å; L41-L77 HydrophobicContact CG-CD1 3.8Å; L41-L77 HydrophobicContact CG-CD2 3.84Å; L41-L77 HydrophobicContact CG-CG 4.49Å; N73-L77 PolarHBondContact O-N 2.85Å; L74-L77 PolarHBondContact O-N 2.84Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 3.04Å; L77-D80 PolarHBondContact O-N 3.09Å; L77-V81 HydrophobicContact CD1-CG2 4.29Å; L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 2.99Å
78A96.1Very high93.1Very high0 Ų046 Ų460%021%0.206CC..Hα-helixtrans-59.8-41.617700000111.4W59 L74 F75 V81 I82 F97W59-A78 HydrophobicContact CZ2-CB 3.75Å; L74-A78 PolarHBondContact O-N 3.21Å; F75-A78 PolarHBondContact O-N 3.36Å; A78-V81 PolarHBondContact O-N 3.34Å; A78-I82 HydrophobicContact CB-CD1 4.49Å; A78-I82 VanDerWaalsContact O-CB 3.28Å; A78-I82 WeakPolarHBondContact O-CB 3.36Å; A78-I82 VanDerWaalsContact O-CD1 3.3Å; A78-I82 WeakPolarHBondContact O-CD1 3.49Å; A78-I82 WeakPolarHBondContact O-CG1 3.36Å; A78-I82 PolarHBondContact O-N 3.18Å; A78-F97 HydrophobicContact CB-CD1 4.26Å; A78-F97 HydrophobicContact CB-CE1 3.79Å; A78-F97 HydrophobicContact CB-CZ 4.06Å
79N95.9Very high92.8Very high29 Ų2948.5 Ų48.516%0.15522%0.222CC..Hα-helixtrans-58.4-48.9174.4172.366.6000112.7F75 Y76 L77 I82 Q83 I120 W124F75-N79 WeakPolarHBondContact O-CB 3.36Å; F75-N79 PolarHBondContact O-N 3.07Å; Y76-N79 WeakPolarHBondContact O-CB 3.36Å; Y76-N79 PolarHBondContact O-N 3.39Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 3.04Å; N79-I82 PolarHBondContact O-N 3.42Å; N79-Q83 PolarHBondContact ND2-NE2 3.07Å; N79-Q83 WeakPolarHBondContact O-CB 3.4Å; N79-Q83 WeakPolarHBondContact O-CG 3.39Å; N79-Q83 PolarHBondContact O-N 3.42Å; N79-Q83 PolarHBondContact OD1-NE2 3.46Å; N79-I120 HydrophobicContact CB-CD1 4.41Å; N79-I120 HydrophobicContact CB-CG2 3.95Å; N79-W124 HydrophobicContact CB-CZ2 4.22Å; N79-W124 PolarHBondContact OD1-NE1 3.27Å
80D95.6Very high92.7Very high31 Ų3143.6 Ų43.617%0.16620%0.196CC..Hα-helixtrans-63.5-44.9-179.7-16783.6000111.7I38 S42 Y76 L77 I82 Q83 N84I38-D80 HydrophobicContact CG2-CB 4.03Å; S42-D80 WeakPolarHBondContact CB-OD2 3.34Å; S42-D80 PolarHBondContact OG-OD2 2.79Å; Y76-D80 PolarHBondContact O-N 2.66Å; L77-D80 PolarHBondContact O-N 3.09Å; D80-I82 PolarHBondContact O-N 2.93Å; D80-Q83 PolarHBondContact O-N 3.49Å; D80-N84 WeakPolarHBondContact O-CB 3.49Å; D80-N84 PolarHBondContact O-N 2.93Å; D80-N84 PolarHBondContact O-ND2 3.22Å; D80-N84 PolarHBondContact OD1-ND2 3.46Å; D80-N84 PolarHBondContact OD2-ND2 2.89Å
81V95.4Very high92.6Very high2 Ų246.7 Ų46.71%0.01221%0.213CC..Hα-helixtrans-59.4-48.4176.2175.20000111.3S42 C45 I46 L77 A78 Q83 N84 C85 F93 F97S42-V81 WeakPolarHBondContact OG-CG2 3.16Å; S42-V81 PolarHBondContact OG-N 3.35Å; C45-V81 HydrophobicContact CB-CG2 4.04Å; I46-V81 HydrophobicContact CG1-CG1 4.31Å; L77-V81 HydrophobicContact CD1-CG2 4.29Å; L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 2.99Å; A78-V81 PolarHBondContact O-N 3.34Å; V81-Q83 VanDerWaalsContact C-N 3.32Å; V81-Q83 PolarHBondContact O-N 2.94Å; V81-N84 PolarHBondContact O-N 3.46Å; V81-C85 WeakPolarHBondContact O-CB 3.38Å; V81-C85 PolarHBondContact O-N 3.4Å; V81-C85 PolarHBondContact O-SG 3.32Å; V81-C85 VanDerWaalsContact O-SG 3.37Å; V81-F93 HydrophobicContact CG1-CB 4.05Å; V81-F93 HydrophobicContact CG1-CD1 3.94Å; V81-F93 HydrophobicContact CG1-CD2 4.13Å; V81-F93 HydrophobicContact CG1-CE1 4.43Å; V81-F93 HydrophobicContact CG1-CG 3.78Å; V81-F97 HydrophobicContact CB-CE2 4.33Å; V81-F97 HydrophobicContact CG1-CE2 3.94Å
82I94.3Very high92.4Very high0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-63.2-36.2-178.6-72.5164.5000111.9A78 N79 D80 C85 R94 F97 L101 W124 V129 Y130A78-I82 HydrophobicContact CB-CD1 4.49Å; A78-I82 VanDerWaalsContact O-CB 3.28Å; A78-I82 WeakPolarHBondContact O-CB 3.36Å; A78-I82 VanDerWaalsContact O-CD1 3.3Å; A78-I82 WeakPolarHBondContact O-CD1 3.49Å; A78-I82 WeakPolarHBondContact O-CG1 3.36Å; A78-I82 PolarHBondContact O-N 3.18Å; N79-I82 PolarHBondContact O-N 3.42Å; D80-I82 PolarHBondContact O-N 2.93Å; I82-C85 PolarHBondContact O-SG 3.42Å; I82-R94 HydrophobicContact CG2-CG 4.42Å; I82-R94 PolarHBondContact O-NE 2.91Å; I82-F97 HydrophobicContact CD1-CB 3.69Å; I82-F97 HydrophobicContact CD1-CD1 4.44Å; I82-F97 HydrophobicContact CD1-CD2 3.95Å; I82-F97 HydrophobicContact CD1-CG 3.8Å; I82-F97 HydrophobicContact CG1-CB 4.08Å; I82-F97 HydrophobicContact CG1-CD2 3.67Å; I82-F97 HydrophobicContact CG1-CE2 4.38Å; I82-F97 HydrophobicContact CG1-CG 4.04Å; I82-L101 HydrophobicContact CD1-CD1 4.19Å; I82-W124 HydrophobicContact CB-CZ2 4.47Å; I82-W124 HydrophobicContact CD1-CH2 3.56Å; I82-W124 HydrophobicContact CD1-CZ2 3.57Å; I82-W124 HydrophobicContact CD1-CZ3 4.36Å; I82-W124 HydrophobicContact CG2-CZ2 4.41Å; I82-V129 HydrophobicContact CG2-CG1 3.42Å; I82-V129 VanDerWaalsContact CG2-CG1 3.42Å; I82-Y130 HydrophobicContact CD1-CE2 4.49Å; I82-Y130 HydrophobicContact CG2-CE2 3.96Å
83Q91.1Very high92.3Very high39 Ų3947 Ų4718%0.18222%0.219CC..Hα-helixtrans-74.6-46.6176.4-69-16544.400112.2N79 D80 V81N79-Q83 PolarHBondContact ND2-NE2 3.07Å; N79-Q83 WeakPolarHBondContact O-CB 3.4Å; N79-Q83 WeakPolarHBondContact O-CG 3.39Å; N79-Q83 PolarHBondContact O-N 3.42Å; N79-Q83 PolarHBondContact OD1-NE2 3.46Å; D80-Q83 PolarHBondContact O-N 3.49Å; V81-Q83 VanDerWaalsContact C-N 3.32Å; V81-Q83 PolarHBondContact O-N 2.94Å
84N91.5Very high92.2Very high35 Ų3547.8 Ų47.819%0.18722%0.22CC..Hα-helixtrans-81.4-22.4-173.4-70.7-38.2000114I46 D80 V81 K86 R87I46-N84 HydrophobicContact CD1-CB 3.76Å; D80-N84 WeakPolarHBondContact O-CB 3.49Å; D80-N84 PolarHBondContact O-N 2.93Å; D80-N84 PolarHBondContact O-ND2 3.22Å; D80-N84 PolarHBondContact OD1-ND2 3.46Å; D80-N84 PolarHBondContact OD2-ND2 2.89Å; V81-N84 PolarHBondContact O-N 3.46Å; N84-K86 VanDerWaalsContact C-N 3.25Å; N84-K86 PolarHBondContact O-N 3.3Å; N84-K86 VanDerWaalsContact O-N 3.16Å; N84-R87 PolarHBondContact O-N 3.07Å; N84-R87 VanDerWaalsContact O-N 3.16Å; N84-R87 VanDerWaalsContact OD1-CZ 3.27Å; N84-R87 PolarHBondContact OD1-NH1 2.97Å; N84-R87 PolarHBondContact OD1-NH2 2.89Å
85C89.8Confident92Very high0 Ų051.6 Ų51.60%025%0.247CC..THydrogen-bonded Turntrans-59.2-29.1-178.567.90000114.6V81 I82 K88 N89 A90 F93V81-C85 WeakPolarHBondContact O-CB 3.38Å; V81-C85 PolarHBondContact O-N 3.4Å; V81-C85 PolarHBondContact O-SG 3.32Å; V81-C85 VanDerWaalsContact O-SG 3.37Å; I82-C85 PolarHBondContact O-SG 3.42Å; C85-K88 PolarHBondContact O-N 3.01Å; C85-N89 PolarHBondContact O-N 2.74Å; C85-A90 HydrophobicContact CB-CB 4.01Å; C85-A90 WeakPolarHBondContact CB-O 3.36Å; C85-A90 WeakPolarHBondContact O-CA 3.43Å; C85-A90 PolarHBondContact O-N 3.18Å; C85-F93 HydrophobicContact CB-CB 4.17Å; C85-F93 HydrophobicContact CB-CD2 4.41Å
86K86.7Confident91.8Very high141 Ų14152.4 Ų52.461%0.61325%0.254SS*.THydrogen-bonded Turntrans-64.3-43.6177.2-174.4177.3177.5-179.40111.4N84 K88N84-K86 VanDerWaalsContact C-N 3.25Å; N84-K86 PolarHBondContact O-N 3.3Å; N84-K86 VanDerWaalsContact O-N 3.16Å; K86-K88 VanDerWaalsContact C-N 3.29Å; K86-K88 PolarHBondContact O-N 3.28Å
87R87.5Confident91.7Very high183 Ų18349 Ų4969%0.69124%0.241SC*.THydrogen-bonded Turntrans-71.1-21.7-178.9-65.7-166.9-120.787.77.1113.4N84N84-R87 PolarHBondContact O-N 3.07Å; N84-R87 VanDerWaalsContact O-N 3.16Å; N84-R87 VanDerWaalsContact OD1-CZ 3.27Å; N84-R87 PolarHBondContact OD1-NH1 2.97Å; N84-R87 PolarHBondContact OD1-NH2 2.89Å
88K83.4Confident91.5Very high138 Ų13850.1 Ų50.160%0.625%0.249SC*.THydrogen-bonded Turntrans-106.318.2-176.1-64.6-75.6-170.7171.10113.4I46 K49 C85 K86 A90I46-K88 HydrophobicContact CG2-CB 3.37Å; I46-K88 HydrophobicContact CG2-CG 3.87Å; K49-K88 PolarHBondContact NZ-O 3.25Å; C85-K88 PolarHBondContact O-N 3.01Å; K86-K88 VanDerWaalsContact C-N 3.29Å; K86-K88 PolarHBondContact O-N 3.28Å; K88-A90 VanDerWaalsContact C-N 3.3Å; K88-A90 PolarHBondContact O-N 3.4Å
89N85.6Confident91.2Very high128 Ų12854.6 Ų54.668%0.68427%0.273SS*.THydrogen-bonded Turntrans50.347.6-177.7-167.813.8000112.7K49 C85K49-N89 PolarHBondContact NZ-O 3.47Å; C85-N89 PolarHBondContact O-N 2.74Å
90A89.7Confident91.1Very high2 Ų254.6 Ų54.62%0.01727%0.274CS..  trans-126.629-177.100000111.7I46 K49 C85 K88 V92 F93I46-A90 HydrophobicContact CG2-CB 4.1Å; K49-A90 HydrophobicContact CB-CB 4.05Å; K49-A90 HydrophobicContact CD-CB 3.69Å; C85-A90 HydrophobicContact CB-CB 4.01Å; C85-A90 WeakPolarHBondContact CB-O 3.36Å; C85-A90 WeakPolarHBondContact O-CA 3.43Å; C85-A90 PolarHBondContact O-N 3.18Å; K88-A90 VanDerWaalsContact C-N 3.3Å; K88-A90 PolarHBondContact O-N 3.4Å; A90-V92 PolarHBondContact O-N 3.49Å; A90-F93 HydrophobicContact CB-CD2 4.08Å; A90-F93 HydrophobicContact CB-CE2 4.47Å; A90-F93 WeakPolarHBondContact O-CD2 3.27Å; A90-F93 PolarHBondContact O-N 3.49Å
91I91.1Very high91Very high96 Ų9653.1 Ų53.149%0.49227%0.266SS..THydrogen-bonded Turntrans-57-19.8-172-163.3165.2000114.2F93 R94I91-F93 PolarHBondContact O-N 3.11Å; I91-F93 VanDerWaalsContact O-N 3.08Å; I91-R94 HydrophobicContact CG1-CG 4.44Å; I91-R94 WeakPolarHBondContact O-CB 3.48Å; I91-R94 PolarHBondContact O-N 2.9Å
92V90.9Very high90.7Very high61 Ų6153.8 Ų53.837%0.3727%0.271SS..Hα-helixtrans-48.6-31.5170-62.60000113.5H52 A90 R94 S95 A96H52-V92 HydrophobicContact CB-CG2 4.01Å; A90-V92 PolarHBondContact O-N 3.49Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.37Å; V92-S95 PolarHBondContact O-N 3.41Å; V92-A96 PolarHBondContact O-N 3.01Å
93F92.3Very high90.4Very high0 Ų056.3 Ų56.30%028%0.284CS..Hα-helixtrans-62.3-33175-82.1-69.7000113.2C45 K49 H52 I55 V56 V81 C85 A90 I91 F97C45-F93 WeakPolarHBondContact O-CE2 3.31Å; C45-F93 WeakPolarHBondContact O-CZ 3.35Å; K49-F93 HydrophobicContact CB-CE2 3.84Å; H52-F93 HydrophobicContact CB-CD1 3.96Å; H52-F93 HydrophobicContact CB-CD2 4.42Å; H52-F93 HydrophobicContact CB-CE1 3.59Å; H52-F93 HydrophobicContact CB-CE2 4.08Å; H52-F93 HydrophobicContact CB-CG 4.36Å; H52-F93 HydrophobicContact CB-CZ 3.65Å; I55-F93 HydrophobicContact CB-CE1 4.21Å; I55-F93 HydrophobicContact CD1-CE1 4.31Å; I55-F93 HydrophobicContact CD1-CZ 3.86Å; I55-F93 HydrophobicContact CG2-CE1 3.99Å; I55-F93 HydrophobicContact CG2-CZ 4.47Å; V56-F93 HydrophobicContact CG2-CD1 4.12Å; V56-F93 HydrophobicContact CG2-CE1 4.35Å; V81-F93 HydrophobicContact CG1-CB 4.05Å; V81-F93 HydrophobicContact CG1-CD1 3.94Å; V81-F93 HydrophobicContact CG1-CD2 4.13Å; V81-F93 HydrophobicContact CG1-CE1 4.43Å; V81-F93 HydrophobicContact CG1-CG 3.78Å; C85-F93 HydrophobicContact CB-CB 4.17Å; C85-F93 HydrophobicContact CB-CD2 4.41Å; A90-F93 HydrophobicContact CB-CD2 4.08Å; A90-F93 HydrophobicContact CB-CE2 4.47Å; A90-F93 WeakPolarHBondContact O-CD2 3.27Å; A90-F93 PolarHBondContact O-N 3.49Å; I91-F93 PolarHBondContact O-N 3.11Å; I91-F93 VanDerWaalsContact O-N 3.08Å; F93-F97 HydrophobicContact CB-CD2 4.29Å; F93-F97 HydrophobicContact CD1-CD2 4.25Å; F93-F97 AromaticContact CD1-CE2 3.87Å; F93-F97 HydrophobicContact CD1-CE2 3.87Å; F93-F97 WeakPolarHBondContact O-CB 3.5Å; F93-F97 VanDerWaalsContact O-CD2 3.26Å; F93-F97 WeakPolarHBondContact O-CD2 3.43Å; F93-F97 PolarHBondContact O-N 3.11Å
94R92.6Very high90.4Very high39 Ų3954.5 Ų54.515%0.14728%0.275CS..Hα-helixtrans-63.4-48.5176.2-63.5-164.4174.3-172.4-1.7111.1I82 I91 V92 S98 V129 Y130I82-R94 HydrophobicContact CG2-CG 4.42Å; I82-R94 PolarHBondContact O-NE 2.91Å; I91-R94 HydrophobicContact CG1-CG 4.44Å; I91-R94 WeakPolarHBondContact O-CB 3.48Å; I91-R94 PolarHBondContact O-N 2.9Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.37Å; R94-S98 VanDerWaalsContact O-CB 3.32Å; R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 3.43Å; R94-V129 PolarHBondContact NH1-O 3.32Å; R94-V129 VanDerWaalsContact NH1-O 3.1Å; R94-Y130 WeakPolarHBondContact CA-OH 3.47Å; R94-Y130 HydrophobicContact CB-CE1 3.95Å; R94-Y130 WeakPolarHBondContact O-CE1 3.4Å; R94-Y130 PolarHBondContact O-OH 3.2Å; R94-Y130 VanDerWaalsContact O-OH 3.06Å
95S91.7Very high90.3Very high80 Ų8052.9 Ų52.956%0.55927%0.267SS*.Hα-helixtrans-60.3-51177-160.60000110.9V92 F97 S98 D99V92-S95 PolarHBondContact O-N 3.41Å; S95-F97 PolarHBondContact O-N 2.85Å; S95-S98 WeakPolarHBondContact O-CB 3.33Å; S95-S98 PolarHBondContact O-N 2.99Å; S95-S98 VanDerWaalsContact O-N 3.1Å; S95-D99 PolarHBondContact O-N 2.95Å
96A93.5Very high90.1Very high18 Ų1854.7 Ų54.715%0.14928%0.277CS..Hα-helixtrans-62.8-39.9-176.800000113.3V56 V92V56-A96 HydrophobicContact CB-CB 4.47Å; V56-A96 HydrophobicContact CG2-CB 3.95Å; V92-A96 PolarHBondContact O-N 3.01Å
97F94.4Very high90.1Very high4 Ų450.1 Ų50.12%0.01826%0.258CS..Hα-helixtrans-69.4-37173.8-84.7-68.3000112.1V56 W59 A78 V81 I82 F93 S95 D99 V100 L101V56-F97 HydrophobicContact CG1-CD1 4.21Å; V56-F97 HydrophobicContact CG1-CE1 4.39Å; V56-F97 HydrophobicContact CG2-CD1 4.25Å; V56-F97 HydrophobicContact CG2-CD2 4.04Å; V56-F97 HydrophobicContact CG2-CE1 4.11Å; V56-F97 HydrophobicContact CG2-CE2 3.88Å; V56-F97 HydrophobicContact CG2-CG 4.22Å; V56-F97 HydrophobicContact CG2-CZ 3.92Å; W59-F97 AromaticContact CD2-CE1 3.74Å; W59-F97 HydrophobicContact CD2-CE1 3.74Å; W59-F97 HydrophobicContact CE3-CD1 4.37Å; W59-F97 AromaticContact CE3-CE1 3.9Å; W59-F97 HydrophobicContact CE3-CE1 3.9Å; W59-F97 HydrophobicContact CG-CE1 4.05Å; W59-F97 HydrophobicContact CZ2-CE1 4.5Å; W59-F97 HydrophobicContact CZ3-CD1 4.45Å; W59-F97 HydrophobicContact CZ3-CE1 4.34Å; A78-F97 HydrophobicContact CB-CD1 4.26Å; A78-F97 HydrophobicContact CB-CE1 3.79Å; A78-F97 HydrophobicContact CB-CZ 4.06Å; V81-F97 HydrophobicContact CB-CE2 4.33Å; V81-F97 HydrophobicContact CG1-CE2 3.94Å; I82-F97 HydrophobicContact CD1-CB 3.69Å; I82-F97 HydrophobicContact CD1-CD1 4.44Å; I82-F97 HydrophobicContact CD1-CD2 3.95Å; I82-F97 HydrophobicContact CD1-CG 3.8Å; I82-F97 HydrophobicContact CG1-CB 4.08Å; I82-F97 HydrophobicContact CG1-CD2 3.67Å; I82-F97 HydrophobicContact CG1-CE2 4.38Å; I82-F97 HydrophobicContact CG1-CG 4.04Å; F93-F97 HydrophobicContact CB-CD2 4.29Å; F93-F97 HydrophobicContact CD1-CD2 4.25Å; F93-F97 AromaticContact CD1-CE2 3.87Å; F93-F97 HydrophobicContact CD1-CE2 3.87Å; F93-F97 WeakPolarHBondContact O-CB 3.5Å; F93-F97 VanDerWaalsContact O-CD2 3.26Å; F93-F97 WeakPolarHBondContact O-CD2 3.43Å; F93-F97 PolarHBondContact O-N 3.11Å; S95-F97 PolarHBondContact O-N 2.85Å; F97-D99 PolarHBondContact O-N 2.88Å; F97-V100 HydrophobicContact CD1-CG2 4.16Å; F97-V100 WeakPolarHBondContact O-CG2 3.35Å; F97-V100 PolarHBondContact O-N 3.4Å; F97-V100 VanDerWaalsContact O-N 3.1Å; F97-L101 HydrophobicContact CB-CD1 3.99Å; F97-L101 HydrophobicContact CB-CG 4.42Å; F97-L101 WeakPolarHBondContact O-CB 3.3Å; F97-L101 WeakPolarHBondContact O-CD1 3.43Å; F97-L101 WeakPolarHBondContact O-CG 3.4Å; F97-L101 PolarHBondContact O-N 3.44Å
98S91.9Very high90.1Very high27 Ų2741.7 Ų41.719%0.18923%0.227CC..Hα-helixtrans-56.1-33178.9-169.90000113.3R94 S95 P102R94-S98 VanDerWaalsContact O-CB 3.32Å; R94-S98 WeakPolarHBondContact O-CB 3.48Å; R94-S98 PolarHBondContact O-N 3.43Å; S95-S98 WeakPolarHBondContact O-CB 3.33Å; S95-S98 PolarHBondContact O-N 2.99Å; S95-S98 VanDerWaalsContact O-N 3.1Å; S98-P102 VanDerWaalsContact O-CD 3.26Å; S98-P102 WeakPolarHBondContact O-CD 3.41Å
99D90.9Very high90.1Very high93 Ų9341 Ų4150%0.49722%0.224SC..Hα-helixtrans-76.2-30.4179.4-66.7-44000113.4S95 F97S95-D99 PolarHBondContact O-N 2.95Å; F97-D99 PolarHBondContact O-N 2.88Å
100V93.9Very high90.1Very high30 Ų3037.7 Ų37.718%0.18221%0.206CC..Hα-helixtrans-94.2-24.9179.9-59.60000113.9V56 W59 F97 N103 A104V56-V100 HydrophobicContact CG1-CB 4.34Å; V56-V100 HydrophobicContact CG1-CG1 3.89Å; V56-V100 HydrophobicContact CG1-CG2 3.49Å; V56-V100 VanDerWaalsContact CG1-CG2 3.49Å; W59-V100 HydrophobicContact CE3-CG2 4.24Å; W59-V100 HydrophobicContact CZ3-CG2 3.93Å; F97-V100 HydrophobicContact CD1-CG2 4.16Å; F97-V100 WeakPolarHBondContact O-CG2 3.35Å; F97-V100 PolarHBondContact O-N 3.4Å; F97-V100 VanDerWaalsContact O-N 3.1Å; V100-N103 PolarHBondContact O-N 3.41Å; V100-N103 VanDerWaalsContact O-N 3.07Å; V100-A104 WeakPolarHBondContact O-CB 3.46Å; V100-A104 PolarHBondContact O-N 2.86Å
101L93.1Very high89.9Confident0 Ų039.1 Ų39.10%022%0.222CC..Hα-helixtrans-56.8-40.2-175.7-83.9164000115.1F75 I82 F97 N103 A104 A105 F121 W124 Y130 F138F75-L101 HydrophobicContact CE1-CD2 3.88Å; I82-L101 HydrophobicContact CD1-CD1 4.19Å; F97-L101 HydrophobicContact CB-CD1 3.99Å; F97-L101 HydrophobicContact CB-CG 4.42Å; F97-L101 WeakPolarHBondContact O-CB 3.3Å; F97-L101 WeakPolarHBondContact O-CD1 3.43Å; F97-L101 WeakPolarHBondContact O-CG 3.4Å; F97-L101 PolarHBondContact O-N 3.44Å; L101-N103 VanDerWaalsContact C-N 3.29Å; L101-N103 PolarHBondContact O-N 3.16Å; L101-A104 PolarHBondContact O-N 3.05Å; L101-A105 WeakPolarHBondContact O-CB 3.47Å; L101-A105 PolarHBondContact O-N 3.34Å; L101-F121 HydrophobicContact CD2-CE1 4.21Å; L101-W124 HydrophobicContact CD1-CH2 3.8Å; L101-W124 HydrophobicContact CD1-CZ3 3.53Å; L101-W124 HydrophobicContact CD2-CH2 3.86Å; L101-W124 HydrophobicContact CD2-CZ3 4.02Å; L101-W124 HydrophobicContact CG-CZ3 4.43Å; L101-Y130 HydrophobicContact CD1-CE2 4.23Å; L101-F138 HydrophobicContact CB-CD1 4.09Å; L101-F138 HydrophobicContact CB-CD2 4.43Å; L101-F138 HydrophobicContact CB-CE1 3.78Å; L101-F138 HydrophobicContact CB-CE2 4.14Å; L101-F138 HydrophobicContact CB-CG 4.42Å; L101-F138 HydrophobicContact CB-CZ 3.8Å; L101-F138 HydrophobicContact CD1-CD2 4.41Å; L101-F138 HydrophobicContact CD1-CE2 3.72Å; L101-F138 HydrophobicContact CD1-CZ 3.87Å
102P89.8Confident89.7Confident16 Ų1642.1 Ų42.110%0.10423%0.231CC..Hα-helixtrans-59.7-39.9174.2-23.633.1000112.5S98 L106 F138 S141S98-P102 VanDerWaalsContact O-CD 3.26Å; S98-P102 WeakPolarHBondContact O-CD 3.41Å; P102-L106 WeakPolarHBondContact O-CG 3.47Å; P102-F138 HydrophobicContact CG-CD1 3.87Å; P102-F138 HydrophobicContact CG-CE1 3.74Å; P102-S141 WeakPolarHBondContact O-CB 3.49Å
103N87.1Confident89.7Confident53 Ų5339.4 Ų39.428%0.28322%0.215SC..Hα-helixtrans-75.4-35.2178.7-65.3-38000111.8M60 V100 L101 L106M60-N103 HydrophobicContact CE-CB 3.79Å; V100-N103 PolarHBondContact O-N 3.41Å; V100-N103 VanDerWaalsContact O-N 3.07Å; L101-N103 VanDerWaalsContact C-N 3.29Å; L101-N103 PolarHBondContact O-N 3.16Å; N103-L106 PolarHBondContact O-N 3.18Å
104A91.1Very high89.6Confident0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-64.8-43.1175.300000112.2W59 M60 L63 F75 V100 L101 L106 L107W59-A104 HydrophobicContact CH2-CB 3.69Å; W59-A104 HydrophobicContact CZ3-CB 3.81Å; M60-A104 HydrophobicContact SD-CB 4.09Å; L63-A104 HydrophobicContact CD2-CB 3.43Å; L63-A104 VanDerWaalsContact CD2-CB 3.43Å; F75-A104 HydrophobicContact CE2-CB 4.3Å; F75-A104 HydrophobicContact CZ-CB 3.83Å; V100-A104 WeakPolarHBondContact O-CB 3.46Å; V100-A104 PolarHBondContact O-N 2.86Å; L101-A104 PolarHBondContact O-N 3.05Å; A104-L106 VanDerWaalsContact C-N 3.25Å; A104-L106 PolarHBondContact O-N 3.15Å; A104-L107 WeakPolarHBondContact O-CB 3.46Å; A104-L107 PolarHBondContact O-N 2.87Å
105A88.9Confident89.6Confident1 Ų148.1 Ų48.11%0.00825%0.252CS..Hα-helixtrans-59.3-34.4178.700000112.8L101 L107 I108 F121 L142L101-A105 WeakPolarHBondContact O-CB 3.47Å; L101-A105 PolarHBondContact O-N 3.34Å; A105-L107 PolarHBondContact O-N 3.1Å; A105-I108 PolarHBondContact O-N 3.03Å; A105-F121 HydrophobicContact CB-CE2 4.39Å; A105-F121 HydrophobicContact CB-CZ 4.39Å; A105-L142 HydrophobicContact CB-CB 4.18Å; A105-L142 HydrophobicContact CB-CD1 4.19Å
106L86.8Confident89.7Confident39 Ų3945.8 Ų45.820%0.20424%0.235CC..THydrogen-bonded Turntrans-66.7-19176.8-68.8164.8000113.8P102 N103 A104 I108 S141 K144 I148P102-L106 WeakPolarHBondContact O-CG 3.47Å; N103-L106 PolarHBondContact O-N 3.18Å; A104-L106 VanDerWaalsContact C-N 3.25Å; A104-L106 PolarHBondContact O-N 3.15Å; L106-I108 VanDerWaalsContact C-N 3.32Å; L106-S141 WeakPolarHBondContact CD2-O 3.46Å; L106-K144 HydrophobicContact CD2-CB 4.14Å; L106-I148 HydrophobicContact CD1-CG2 3.65Å; L106-I148 HydrophobicContact CD2-CB 4.21Å; L106-I148 HydrophobicContact CD2-CD1 4.02Å; L106-I148 HydrophobicContact CD2-CG2 4.12Å; L106-I148 HydrophobicContact CG-CG2 4.47Å
107L85.9Confident89.7Confident44 Ų4444.9 Ų44.923%0.2323%0.228CC..THydrogen-bonded Turntrans-82.7-9.8176.4-57.8175.4000112.7M60 L63 K64 R71 A104 A105 K109M60-L107 HydrophobicContact CE-CD1 3.91Å; M60-L107 HydrophobicContact SD-CD1 4.49Å; L63-L107 HydrophobicContact CD2-CD1 4.05Å; L63-L107 HydrophobicContact CG-CD1 4.3Å; K64-L107 HydrophobicContact CG-CD1 3.73Å; R71-L107 PolarHBondContact NH1-O 3.41Å; A104-L107 WeakPolarHBondContact O-CB 3.46Å; A104-L107 PolarHBondContact O-N 2.87Å; A105-L107 PolarHBondContact O-N 3.1Å; L107-K109 PolarHBondContact O-N 3.48Å
108I87.9Confident89.7Confident6 Ų646.9 Ų46.93%0.03124%0.238CC..  trans-89.783.3-178-54.5-54000110.5R71 F75 A105 L106 V113 R114 V117 L142R71-I108 HydrophobicContact CB-CD1 3.98Å; F75-I108 HydrophobicContact CD2-CD1 4.09Å; F75-I108 HydrophobicContact CD2-CG1 4.47Å; F75-I108 HydrophobicContact CE2-CD1 3.76Å; F75-I108 HydrophobicContact CE2-CG1 3.83Å; F75-I108 HydrophobicContact CZ-CG1 4.35Å; A105-I108 PolarHBondContact O-N 3.03Å; L106-I108 VanDerWaalsContact C-N 3.32Å; I108-V113 HydrophobicContact CD1-CG1 4.04Å; I108-V113 HydrophobicContact CG2-CB 4.04Å; I108-V113 HydrophobicContact CG2-CG1 3.67Å; I108-R114 HydrophobicContact CG2-CB 4.11Å; I108-V117 HydrophobicContact CG1-CG2 4.46Å; I108-L142 HydrophobicContact CB-CD1 3.89Å; I108-L142 HydrophobicContact CG1-CD1 4.41Å; I108-L142 HydrophobicContact CG2-CD1 4.12Å
109K82.4Confident89.8Confident124 Ų12454 Ų5454%0.53926%0.26SS..  trans-82.8-34.5179.7-65.6-175.7-179178.90113.5L107 R114L107-K109 PolarHBondContact O-N 3.48Å; K109-R114 PolarHBondContact O-NH2 3.05Å
110D85.9Confident90Very high58 Ų5849.9 Ų49.931%0.3124%0.238SC..SBendtrans-67.1144.9-179.5173.7-105.2000113.5H68 K112 V113 R114H68-D110 HydrophobicContact CB-CB 4.12Å; D110-K112 WeakPolarHBondContact OD1-CA 3.33Å; D110-K112 VanDerWaalsContact OD1-CB 3.32Å; D110-K112 WeakPolarHBondContact OD1-CB 3.5Å; D110-K112 PolarHBondContact OD1-N 3.03Å; D110-V113 HydrophobicContact CB-CB 4.33Å; D110-V113 HydrophobicContact CB-CG2 4.23Å; D110-V113 WeakPolarHBondContact OD1-CG2 3.26Å; D110-V113 PolarHBondContact OD1-N 3.07Å; D110-R114 WeakPolarHBondContact O-CB 3.45Å; D110-R114 PolarHBondContact O-N 2.83Å
111G85.4Confident90.1Very high33 Ų3348.5 Ų48.534%0.3423%0.23SC..Hα-helixtrans-74.7-35.4-177.600000115K115G111-K115 PolarHBondContact O-N 3.44Å
112K87.9Confident90.2Very high159 Ų15950.1 Ų50.169%0.69124%0.241SC*.Hα-helixtrans-70.8-49178.3-178.9-177.4178.7-177.30109.8D110 R114 K115 S116D110-K112 WeakPolarHBondContact OD1-CA 3.33Å; D110-K112 VanDerWaalsContact OD1-CB 3.32Å; D110-K112 WeakPolarHBondContact OD1-CB 3.5Å; D110-K112 PolarHBondContact OD1-N 3.03Å; K112-R114 VanDerWaalsContact C-N 3.31Å; K112-R114 PolarHBondContact O-N 2.96Å; K112-K115 PolarHBondContact O-N 2.94Å; K112-S116 PolarHBondContact O-N 3.05Å
113V90.1Very high90.4Very high4 Ų450.9 Ų50.92%0.02424%0.244CC..Hα-helixtrans-61.8-39.7176.4-177.50000111.1H68 L72 I108 D110 K115 S116 V117H68-V113 HydrophobicContact CB-CG2 4.14Å; H68-V113 WeakPolarHBondContact O-CG2 3.35Å; L72-V113 HydrophobicContact CB-CG1 3.97Å; L72-V113 HydrophobicContact CB-CG2 4.31Å; L72-V113 HydrophobicContact CD1-CG1 4.18Å; L72-V113 HydrophobicContact CD2-CG2 4.39Å; I108-V113 HydrophobicContact CD1-CG1 4.04Å; I108-V113 HydrophobicContact CG2-CB 4.04Å; I108-V113 HydrophobicContact CG2-CG1 3.67Å; D110-V113 HydrophobicContact CB-CB 4.33Å; D110-V113 HydrophobicContact CB-CG2 4.23Å; D110-V113 WeakPolarHBondContact OD1-CG2 3.26Å; D110-V113 PolarHBondContact OD1-N 3.07Å; V113-K115 PolarHBondContact O-N 3.33Å; V113-S116 PolarHBondContact O-N 3.05Å; V113-V117 HydrophobicContact CG1-CG2 4.27Å; V113-V117 WeakPolarHBondContact O-CG2 3.36Å; V113-V117 PolarHBondContact O-N 3.46Å
114R91.3Very high90.8Very high61 Ų6148.4 Ų48.423%0.2323%0.231CC..Hα-helixtrans-58.7-45.8176.1-162.4-172.9-54.7120.111112.5I108 K109 D110 K112 S116 V117 E118 L142I108-R114 HydrophobicContact CG2-CB 4.11Å; K109-R114 PolarHBondContact O-NH2 3.05Å; D110-R114 WeakPolarHBondContact O-CB 3.45Å; D110-R114 PolarHBondContact O-N 2.83Å; K112-R114 VanDerWaalsContact C-N 3.31Å; K112-R114 PolarHBondContact O-N 2.96Å; R114-S116 VanDerWaalsContact C-N 3.34Å; R114-S116 PolarHBondContact O-N 3.48Å; R114-V117 PolarHBondContact O-N 3.2Å; R114-E118 WeakPolarHBondContact O-CB 3.34Å; R114-E118 PolarHBondContact O-N 2.74Å; R114-L142 HydrophobicContact CG-CD1 3.79Å; R114-L142 HydrophobicContact CG-CD2 3.84Å; R114-L142 HydrophobicContact CG-CG 3.52Å
115K92.3Very high90.9Very high160 Ų16051.5 Ų51.570%0.69625%0.245SC*.Hα-helixtrans-59.9-42.7177.6-74.3-179.1176.8-174.40111.9G111 K112 V113 E118 R119G111-K115 PolarHBondContact O-N 3.44Å; K112-K115 PolarHBondContact O-N 2.94Å; V113-K115 PolarHBondContact O-N 3.33Å; K115-E118 PolarHBondContact O-N 3.19Å; K115-R119 PolarHBondContact O-N 3.07Å
116S93Very high91.1Very high31 Ų3158.3 Ų58.322%0.21728%0.277CS..Hα-helixtrans-64.7-41.5176.4-610000112.6K112 V113 R114 R119 I120K112-S116 PolarHBondContact O-N 3.05Å; V113-S116 PolarHBondContact O-N 3.05Å; R114-S116 VanDerWaalsContact C-N 3.34Å; R114-S116 PolarHBondContact O-N 3.48Å; S116-R119 PolarHBondContact O-N 3.25Å; S116-I120 WeakPolarHBondContact O-CG1 3.34Å; S116-I120 PolarHBondContact O-N 2.98Å
117V94.1Very high91.3Very high0 Ų064 Ų640%030%0.296CS..Hα-helixtrans-69.8-37.7177.4175.10000111.8L72 F75 I108 V113 R114 R119 I120 F121 L142L72-V117 HydrophobicContact CD1-CG2 4.49Å; F75-V117 HydrophobicContact CB-CG2 4.12Å; F75-V117 HydrophobicContact CD1-CG1 3.9Å; F75-V117 HydrophobicContact CD1-CG2 3.93Å; F75-V117 HydrophobicContact CD2-CG2 4.08Å; F75-V117 HydrophobicContact CE1-CG1 3.68Å; F75-V117 HydrophobicContact CE1-CG2 4.35Å; F75-V117 HydrophobicContact CE2-CG2 4.49Å; F75-V117 HydrophobicContact CG-CG2 3.77Å; F75-V117 HydrophobicContact CZ-CG1 4.15Å; I108-V117 HydrophobicContact CG1-CG2 4.46Å; V113-V117 HydrophobicContact CG1-CG2 4.27Å; V113-V117 WeakPolarHBondContact O-CG2 3.36Å; V113-V117 PolarHBondContact O-N 3.46Å; R114-V117 PolarHBondContact O-N 3.2Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.23Å; V117-I120 WeakPolarHBondContact O-CB 3.32Å; V117-I120 PolarHBondContact O-N 3.15Å; V117-F121 HydrophobicContact CG1-CD2 4.36Å; V117-F121 HydrophobicContact CG1-CE1 3.97Å; V117-F121 HydrophobicContact CG1-CE2 3.71Å; V117-F121 HydrophobicContact CG1-CZ 3.49Å; V117-F121 VanDerWaalsContact CG1-CZ 3.49Å; V117-F121 WeakPolarHBondContact O-CG 3.19Å; V117-F121 PolarHBondContact O-N 3.45Å; V117-L142 HydrophobicContact CB-CD1 4.35Å; V117-L142 HydrophobicContact CB-CD2 4.34Å; V117-L142 HydrophobicContact CG1-CD1 3.96Å; V117-L142 HydrophobicContact CG1-CD2 4.09Å
118E93.6Very high91.5Very high46 Ų4667.8 Ų67.822%0.21532%0.316CS..Hα-helixtrans-62.4-40.3173.9-164.1163.6-157.600110.9R114 K115 F121 S122 L142 R143R114-E118 WeakPolarHBondContact O-CB 3.34Å; R114-E118 PolarHBondContact O-N 2.74Å; K115-E118 PolarHBondContact O-N 3.19Å; E118-F121 PolarHBondContact O-N 3.26Å; E118-S122 PolarHBondContact O-N 2.85Å; E118-S122 PolarHBondContact O-OG 2.84Å; E118-L142 HydrophobicContact CB-CD2 3.74Å; E118-L142 HydrophobicContact CG-CD2 4.34Å; E118-R143 IonicContact OE1-CZ 3.14Å; E118-R143 VanDerWaalsContact OE1-CZ 3.32Å; E118-R143 IonicContact OE1-NE 2.79Å; E118-R143 PolarHBondContact OE1-NE 3.47Å; E118-R143 IonicContact OE1-NH2 3.32Å; E118-R143 PolarHBondContact OE1-NH2 3.45Å
119R95.3Very high91.7Very high175 Ų17568 Ų6866%0.6632%0.318SS*.Hα-helixtrans-62.4-39.9172179.4170.8177.475.2-2.5113K115 S116 V117 F121 S122 I123K115-R119 PolarHBondContact O-N 3.07Å; S116-R119 PolarHBondContact O-N 3.25Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.23Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 PolarHBondContact O-N 2.78Å; R119-S122 PolarHBondContact O-N 3.38Å; R119-I123 HydrophobicContact CG-CD1 4.01Å; R119-I123 VanDerWaalsContact O-CG1 3.31Å; R119-I123 WeakPolarHBondContact O-CG1 3.43Å; R119-I123 PolarHBondContact O-N 3.28Å
120I95.4Very high92.2Very high8 Ų862.8 Ų62.84%0.04130%0.295CS..Hα-helixtrans-60-43.7174.1-69.4167.2000110.4F75 Y76 N79 S116 V117 I123 W124F75-I120 HydrophobicContact CB-CD1 4.3Å; Y76-I120 HydrophobicContact CD1-CD1 3.87Å; Y76-I120 HydrophobicContact CE1-CD1 4.12Å; N79-I120 HydrophobicContact CB-CD1 4.41Å; N79-I120 HydrophobicContact CB-CG2 3.95Å; S116-I120 WeakPolarHBondContact O-CG1 3.34Å; S116-I120 PolarHBondContact O-N 2.98Å; V117-I120 WeakPolarHBondContact O-CB 3.32Å; V117-I120 PolarHBondContact O-N 3.15Å; I120-I123 PolarHBondContact O-N 3.04Å; I120-W124 HydrophobicContact CG2-CD2 4.13Å; I120-W124 VanDerWaalsContact CG2-CE2 3.46Å; I120-W124 HydrophobicContact CG2-CH2 3.99Å; I120-W124 HydrophobicContact CG2-CZ2 3.39Å; I120-W124 PolarHBondContact O-N 2.61Å; I120-W124 VanDerWaalsContact O-N 3.1Å
121F94.9Very high92.5Very high0 Ų063.7 Ų63.70%030%0.304CS..Hα-helixtrans-66-38.6178.7-62.5-18.4000112.8F75 L101 A105 V117 E118 R119 W124 E125 I135 F138 K139 L142F75-F121 HydrophobicContact CE1-CE1 4.19Å; F75-F121 HydrophobicContact CE1-CZ 4.13Å; L101-F121 HydrophobicContact CD2-CE1 4.21Å; A105-F121 HydrophobicContact CB-CE2 4.39Å; A105-F121 HydrophobicContact CB-CZ 4.39Å; V117-F121 HydrophobicContact CG1-CD2 4.36Å; V117-F121 HydrophobicContact CG1-CE1 3.97Å; V117-F121 HydrophobicContact CG1-CE2 3.71Å; V117-F121 HydrophobicContact CG1-CZ 3.49Å; V117-F121 VanDerWaalsContact CG1-CZ 3.49Å; V117-F121 WeakPolarHBondContact O-CG 3.19Å; V117-F121 PolarHBondContact O-N 3.45Å; E118-F121 PolarHBondContact O-N 3.26Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 PolarHBondContact O-N 2.78Å; F121-W124 AromaticContact CD1-CE3 3.74Å; F121-W124 HydrophobicContact CD1-CE3 3.74Å; F121-W124 HydrophobicContact CD1-CH2 4.23Å; F121-W124 AromaticContact CD1-CZ3 3.54Å; F121-W124 HydrophobicContact CD1-CZ3 3.54Å; F121-W124 HydrophobicContact CE1-CE3 4.25Å; F121-W124 HydrophobicContact CE1-CH2 4.06Å; F121-W124 AromaticContact CE1-CZ3 3.57Å; F121-W124 HydrophobicContact CE1-CZ3 3.57Å; F121-W124 PolarHBondContact O-N 2.67Å; F121-E125 PolarHBondContact O-N 3.27Å; F121-E125 VanDerWaalsContact O-N 3.11Å; F121-I135 HydrophobicContact CB-CG2 4.29Å; F121-F138 HydrophobicContact CD1-CB 4.47Å; F121-F138 HydrophobicContact CD1-CD2 4.41Å; F121-F138 HydrophobicContact CD2-CB 3.84Å; F121-F138 HydrophobicContact CE1-CB 4.33Å; F121-F138 HydrophobicContact CE1-CD2 4.38Å; F121-F138 HydrophobicContact CE2-CB 3.67Å; F121-F138 HydrophobicContact CG-CB 4.26Å; F121-F138 HydrophobicContact CZ-CB 3.93Å; F121-K139 HydrophobicContact CB-CG 4.17Å; F121-K139 HydrophobicContact CD2-CG 4.21Å; F121-L142 HydrophobicContact CD2-CD2 4.17Å; F121-L142 HydrophobicContact CE2-CB 4.29Å; F121-L142 HydrophobicContact CE2-CD2 4Å
122S94.4Very high92.7Very high34 Ų3469.1 Ų69.124%0.23832%0.321CS..Hα-helixtrans-62.7-42.1171.9-60.30000112.4E118 R119 W124 E125 E126E118-S122 PolarHBondContact O-N 2.85Å; E118-S122 PolarHBondContact O-OG 2.84Å; R119-S122 PolarHBondContact O-N 3.38Å; S122-W124 PolarHBondContact O-N 3.38Å; S122-E125 VanDerWaalsContact O-CB 3.3Å; S122-E125 WeakPolarHBondContact O-CB 3.39Å; S122-E125 PolarHBondContact O-N 2.93Å; S122-E126 VanDerWaalsContact O-CG 3.31Å; S122-E126 WeakPolarHBondContact O-CG 3.42Å; S122-E126 PolarHBondContact O-N 2.93Å
123I94.8Very high92.8Very high33 Ų3369.6 Ų69.617%0.16933%0.325CS..Hα-helixtrans-62.3-32.1176.6-67.5163.1000111.6R119 I120 R127R119-I123 HydrophobicContact CG-CD1 4.01Å; R119-I123 VanDerWaalsContact O-CG1 3.31Å; R119-I123 WeakPolarHBondContact O-CG1 3.43Å; R119-I123 PolarHBondContact O-N 3.28Å; I120-I123 PolarHBondContact O-N 3.04Å; I123-R127 VanDerWaalsContact O-CB 3.3Å; I123-R127 WeakPolarHBondContact O-CB 3.42Å; I123-R127 VanDerWaalsContact O-CG 3.27Å; I123-R127 WeakPolarHBondContact O-CG 3.47Å; I123-R127 PolarHBondContact O-N 3.47Å
124W95Very high92.9Very high0 Ų071 Ų710%033%0.333CS..Hα-helixtrans-73.3-31.2175-67.2-5.3000113.1N79 I82 L101 I120 F121 S122 N128 V129 Y130 I135 F138N79-W124 HydrophobicContact CB-CZ2 4.22Å; N79-W124 PolarHBondContact OD1-NE1 3.27Å; I82-W124 HydrophobicContact CB-CZ2 4.47Å; I82-W124 HydrophobicContact CD1-CH2 3.56Å; I82-W124 HydrophobicContact CD1-CZ2 3.57Å; I82-W124 HydrophobicContact CD1-CZ3 4.36Å; I82-W124 HydrophobicContact CG2-CZ2 4.41Å; L101-W124 HydrophobicContact CD1-CH2 3.8Å; L101-W124 HydrophobicContact CD1-CZ3 3.53Å; L101-W124 HydrophobicContact CD2-CH2 3.86Å; L101-W124 HydrophobicContact CD2-CZ3 4.02Å; L101-W124 HydrophobicContact CG-CZ3 4.43Å; I120-W124 HydrophobicContact CG2-CD2 4.13Å; I120-W124 VanDerWaalsContact CG2-CE2 3.46Å; I120-W124 HydrophobicContact CG2-CH2 3.99Å; I120-W124 HydrophobicContact CG2-CZ2 3.39Å; I120-W124 PolarHBondContact O-N 2.61Å; I120-W124 VanDerWaalsContact O-N 3.1Å; F121-W124 AromaticContact CD1-CE3 3.74Å; F121-W124 HydrophobicContact CD1-CE3 3.74Å; F121-W124 HydrophobicContact CD1-CH2 4.23Å; F121-W124 AromaticContact CD1-CZ3 3.54Å; F121-W124 HydrophobicContact CD1-CZ3 3.54Å; F121-W124 HydrophobicContact CE1-CE3 4.25Å; F121-W124 HydrophobicContact CE1-CH2 4.06Å; F121-W124 AromaticContact CE1-CZ3 3.57Å; F121-W124 HydrophobicContact CE1-CZ3 3.57Å; F121-W124 PolarHBondContact O-N 2.67Å; S122-W124 PolarHBondContact O-N 3.38Å; W124-N128 PolarHBondContact O-N 3.32Å; W124-V129 HydrophobicContact CB-CB 3.91Å; W124-V129 HydrophobicContact CB-CG1 4.34Å; W124-V129 HydrophobicContact CB-CG2 4.39Å; W124-V129 HydrophobicContact CG-CB 4.23Å; W124-V129 HydrophobicContact CG-CG1 4.19Å; W124-V129 WeakPolarHBondContact O-CB 3.37Å; W124-V129 PolarHBondContact O-N 2.95Å; W124-Y130 HydrophobicContact CB-CD2 4.45Å; W124-Y130 HydrophobicContact CD2-CD2 4.24Å; W124-Y130 HydrophobicContact CD2-CE2 4.1Å; W124-Y130 AromaticContact CE3-CD2 3.75Å; W124-Y130 HydrophobicContact CE3-CD2 3.75Å; W124-Y130 AromaticContact CE3-CE2 3.61Å; W124-Y130 HydrophobicContact CE3-CE2 3.61Å; W124-Y130 HydrophobicContact CZ3-CD2 4.4Å; W124-Y130 AromaticContact CZ3-CE2 3.9Å; W124-Y130 HydrophobicContact CZ3-CE2 3.9Å; W124-I135 HydrophobicContact CB-CD1 3.75Å; W124-I135 HydrophobicContact CE3-CD1 4.18Å; W124-F138 HydrophobicContact CE3-CD2 4.41Å; W124-F138 HydrophobicContact CE3-CE2 4.41Å; W124-F138 HydrophobicContact CZ3-CD2 4.26Å; W124-F138 HydrophobicContact CZ3-CE2 4.23Å
125E92.8Very high93Very high66 Ų6668 Ų6831%0.30832%0.323SS..Hα-helixtrans-69.6-54.6173.9-164.8173-107.900110.9F121 S122 R127 N128 I135 K139F121-E125 PolarHBondContact O-N 3.27Å; F121-E125 VanDerWaalsContact O-N 3.11Å; S122-E125 VanDerWaalsContact O-CB 3.3Å; S122-E125 WeakPolarHBondContact O-CB 3.39Å; S122-E125 PolarHBondContact O-N 2.93Å; E125-R127 PolarHBondContact O-N 3.17Å; E125-R127 VanDerWaalsContact O-N 3.12Å; E125-N128 PolarHBondContact O-N 3.45Å; E125-I135 HydrophobicContact CB-CG1 4.26Å; E125-I135 HydrophobicContact CB-CG2 4.14Å; E125-I135 HydrophobicContact CG-CG2 4.35Å; E125-I135 WeakPolarHBondContact OE1-CG2 3.3Å; E125-K139 IonicContact OE1-NZ 2.74Å; E125-K139 PolarHBondContact OE1-NZ 3.29Å; E125-K139 IonicContact OE2-NZ 3.01Å; E125-K139 PolarHBondContact OE2-NZ 2.86Å
126E93.1Very high92.9Very high144 Ų14462.9 Ų62.967%0.67331%0.309SS*.Hα-helixtrans-52.2-36176.3-70.6163.6-158.600112.6S122S122-E126 VanDerWaalsContact O-CG 3.31Å; S122-E126 WeakPolarHBondContact O-CG 3.42Å; S122-E126 PolarHBondContact O-N 2.93Å
127R92.5Very high92.8Very high157 Ų15766 Ų6659%0.59232%0.321SS*.THydrogen-bonded Turntrans-966.2-178.5-64.8177.7179.4-154.7-8.3113.8I123 E125 V129I123-R127 VanDerWaalsContact O-CB 3.3Å; I123-R127 WeakPolarHBondContact O-CB 3.42Å; I123-R127 VanDerWaalsContact O-CG 3.27Å; I123-R127 WeakPolarHBondContact O-CG 3.47Å; I123-R127 PolarHBondContact O-N 3.47Å; E125-R127 PolarHBondContact O-N 3.17Å; E125-R127 VanDerWaalsContact O-N 3.12Å; R127-V129 HydrophobicContact CB-CG2 3.84Å; R127-V129 PolarHBondContact O-N 3.25Å
128N90.2Very high92.7Very high124 Ų12466 Ų6666%0.66332%0.321SS*.THydrogen-bonded Turntrans43.748.2-174.8-163.79.1000112.4W124 E125W124-N128 PolarHBondContact O-N 3.32Å; E125-N128 PolarHBondContact O-N 3.45Å
129V92.1Very high92.5Very high11 Ų1165.7 Ų65.77%0.06732%0.319CS..SBendtrans-74.5-38.1178.6171.10000110.4I82 R94 W124 R127I82-V129 HydrophobicContact CG2-CG1 3.42Å; I82-V129 VanDerWaalsContact CG2-CG1 3.42Å; R94-V129 PolarHBondContact NH1-O 3.32Å; R94-V129 VanDerWaalsContact NH1-O 3.1Å; W124-V129 HydrophobicContact CB-CB 3.91Å; W124-V129 HydrophobicContact CB-CG1 4.34Å; W124-V129 HydrophobicContact CB-CG2 4.39Å; W124-V129 HydrophobicContact CG-CB 4.23Å; W124-V129 HydrophobicContact CG-CG1 4.19Å; W124-V129 WeakPolarHBondContact O-CB 3.37Å; W124-V129 PolarHBondContact O-N 2.95Å; R127-V129 HydrophobicContact CB-CG2 3.84Å; R127-V129 PolarHBondContact O-N 3.25Å
130Y92.9Very high92.2Very high14 Ų1459.5 Ų59.56%0.05531%0.305CS..SBendtrans-132.2155.4170.5-63.2-70.4000109.1I82 R94 L101 W124 V134 I135 F138I82-Y130 HydrophobicContact CD1-CE2 4.49Å; I82-Y130 HydrophobicContact CG2-CE2 3.96Å; R94-Y130 WeakPolarHBondContact CA-OH 3.47Å; R94-Y130 HydrophobicContact CB-CE1 3.95Å; R94-Y130 WeakPolarHBondContact O-CE1 3.4Å; R94-Y130 PolarHBondContact O-OH 3.2Å; R94-Y130 VanDerWaalsContact O-OH 3.06Å; L101-Y130 HydrophobicContact CD1-CE2 4.23Å; W124-Y130 HydrophobicContact CB-CD2 4.45Å; W124-Y130 HydrophobicContact CD2-CD2 4.24Å; W124-Y130 HydrophobicContact CD2-CE2 4.1Å; W124-Y130 AromaticContact CE3-CD2 3.75Å; W124-Y130 HydrophobicContact CE3-CD2 3.75Å; W124-Y130 AromaticContact CE3-CE2 3.61Å; W124-Y130 HydrophobicContact CE3-CE2 3.61Å; W124-Y130 HydrophobicContact CZ3-CD2 4.4Å; W124-Y130 AromaticContact CZ3-CE2 3.9Å; W124-Y130 HydrophobicContact CZ3-CE2 3.9Å; Y130-V134 HydrophobicContact CG-CG1 4.43Å; Y130-I135 HydrophobicContact CD2-CD1 3.99Å; Y130-I135 HydrophobicContact CG-CD1 4.41Å; Y130-F138 AromaticContact CD2-CE2 3.94Å; Y130-F138 HydrophobicContact CD2-CE2 3.94Å; Y130-F138 HydrophobicContact CE2-CE2 4.13Å; Y130-F138 HydrophobicContact CG-CE2 4.35Å
131P91.3Very high91.8Very high78 Ų7859.5 Ų59.551%0.50631%0.306SS..  trans-58.7150.3172.6-2233.1000112.5E133 V134 I135P131-E133 VanDerWaalsContact C-N 3.29Å; P131-E133 PolarHBondContact O-N 3.07Å; P131-V134 HydrophobicContact CB-CG2 4.31Å; P131-V134 HydrophobicContact CG-CG2 4.28Å; P131-V134 WeakPolarHBondContact O-CB 3.31Å; P131-V134 PolarHBondContact O-N 2.96Å; P131-I135 PolarHBondContact O-N 3.46Å
132E90.2Very high91.3Very high147 Ų14759.8 Ų59.869%0.68731%0.307SS*.Hα-helixtrans-54.8-41.3180-169.9-178.6170.200112.6V134 I135 A136E132-V134 VanDerWaalsContact C-N 3.27Å; E132-V134 PolarHBondContact O-N 3.09Å; E132-I135 PolarHBondContact O-N 3.27Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 2.76Å
133E90.5Very high90.7Very high168 Ų16866.4 Ų66.479%0.78533%0.327SS*.Hα-helixtrans-58-38176.1-172.6179.9-169.900112.6P131 Q137P131-E133 VanDerWaalsContact C-N 3.29Å; P131-E133 PolarHBondContact O-N 3.07Å; E133-Q137 PolarHBondContact O-N 3.43Å
134V91.3Very high89.7Confident33 Ų3370.2 Ų70.220%0.234%0.342CS..Hα-helixtrans-73.3-41.5178.6177.40000110.5Y130 P131 E132 Q137 F138Y130-V134 HydrophobicContact CG-CG1 4.43Å; P131-V134 HydrophobicContact CB-CG2 4.31Å; P131-V134 HydrophobicContact CG-CG2 4.28Å; P131-V134 WeakPolarHBondContact O-CB 3.31Å; P131-V134 PolarHBondContact O-N 2.96Å; E132-V134 VanDerWaalsContact C-N 3.27Å; E132-V134 PolarHBondContact O-N 3.09Å; V134-Q137 WeakPolarHBondContact O-CB 3.45Å; V134-Q137 PolarHBondContact O-N 3.01Å; V134-F138 HydrophobicContact CG1-CD1 4.49Å; V134-F138 HydrophobicContact CG1-CE1 3.69Å; V134-F138 HydrophobicContact CG1-CE2 3.79Å; V134-F138 HydrophobicContact CG1-CZ 3.28Å; V134-F138 WeakPolarHBondContact O-CD1 3.39Å; V134-F138 WeakPolarHBondContact O-CG 3.31Å; V134-F138 PolarHBondContact O-N 2.95Å
135I92.6Very high87.5Confident0 Ų078 Ų780%038%0.376CS..Hα-helixtrans-64.2-42173.8-62.3-60.7000111.4F121 W124 E125 Y130 P131 E132 Q137 F138 K139F121-I135 HydrophobicContact CB-CG2 4.29Å; W124-I135 HydrophobicContact CB-CD1 3.75Å; W124-I135 HydrophobicContact CE3-CD1 4.18Å; E125-I135 HydrophobicContact CB-CG1 4.26Å; E125-I135 HydrophobicContact CB-CG2 4.14Å; E125-I135 HydrophobicContact CG-CG2 4.35Å; E125-I135 WeakPolarHBondContact OE1-CG2 3.3Å; Y130-I135 HydrophobicContact CD2-CD1 3.99Å; Y130-I135 HydrophobicContact CG-CD1 4.41Å; P131-I135 PolarHBondContact O-N 3.46Å; E132-I135 PolarHBondContact O-N 3.27Å; I135-Q137 VanDerWaalsContact C-N 3.27Å; I135-Q137 PolarHBondContact O-N 2.89Å; I135-F138 HydrophobicContact CD1-CD2 4.06Å; I135-F138 HydrophobicContact CD1-CE2 4.32Å; I135-F138 PolarHBondContact O-N 3.07Å; I135-K139 HydrophobicContact CG2-CD 3.89Å; I135-K139 HydrophobicContact CG2-CG 4.17Å; I135-K139 WeakPolarHBondContact O-CG 3.27Å; I135-K139 PolarHBondContact O-N 3.49Å
136A90.6Very high85.3Confident51 Ų5178.5 Ų78.542%0.42139%0.392SS..Hα-helixtrans-58.9-40.2174.700000111E132 A140E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 2.76Å; A136-A140 WeakPolarHBondContact O-CB 3.48Å; A136-A140 PolarHBondContact O-N 3.49Å
137Q90.9Very high83Confident98 Ų9880.5 Ų80.546%0.45840%0.398SS..Hα-helixtrans-61.7-42.3172.3-167.3-175.929.200112.4E133 V134 I135 S141E133-Q137 PolarHBondContact O-N 3.43Å; V134-Q137 WeakPolarHBondContact O-CB 3.45Å; V134-Q137 PolarHBondContact O-N 3.01Å; I135-Q137 VanDerWaalsContact C-N 3.27Å; I135-Q137 PolarHBondContact O-N 2.89Å; Q137-S141 WeakPolarHBondContact O-CB 3.5Å; Q137-S141 PolarHBondContact O-N 3.21Å; Q137-S141 PolarHBondContact O-OG 2.92Å; Q137-S141 VanDerWaalsContact O-OG 3.05Å
138F92.1Very high80.9Confident0 Ų074.8 Ų74.80%038%0.379CS..Hα-helixtrans-66.3-48.3177.9-58.7-16.1000111.8L101 P102 F121 W124 Y130 V134 I135 A140 S141 L142L101-F138 HydrophobicContact CB-CD1 4.09Å; L101-F138 HydrophobicContact CB-CD2 4.43Å; L101-F138 HydrophobicContact CB-CE1 3.78Å; L101-F138 HydrophobicContact CB-CE2 4.14Å; L101-F138 HydrophobicContact CB-CG 4.42Å; L101-F138 HydrophobicContact CB-CZ 3.8Å; L101-F138 HydrophobicContact CD1-CD2 4.41Å; L101-F138 HydrophobicContact CD1-CE2 3.72Å; L101-F138 HydrophobicContact CD1-CZ 3.87Å; P102-F138 HydrophobicContact CG-CD1 3.87Å; P102-F138 HydrophobicContact CG-CE1 3.74Å; F121-F138 HydrophobicContact CD1-CB 4.47Å; F121-F138 HydrophobicContact CD1-CD2 4.41Å; F121-F138 HydrophobicContact CD2-CB 3.84Å; F121-F138 HydrophobicContact CE1-CB 4.33Å; F121-F138 HydrophobicContact CE1-CD2 4.38Å; F121-F138 HydrophobicContact CE2-CB 3.67Å; F121-F138 HydrophobicContact CG-CB 4.26Å; F121-F138 HydrophobicContact CZ-CB 3.93Å; W124-F138 HydrophobicContact CE3-CD2 4.41Å; W124-F138 HydrophobicContact CE3-CE2 4.41Å; W124-F138 HydrophobicContact CZ3-CD2 4.26Å; W124-F138 HydrophobicContact CZ3-CE2 4.23Å; Y130-F138 AromaticContact CD2-CE2 3.94Å; Y130-F138 HydrophobicContact CD2-CE2 3.94Å; Y130-F138 HydrophobicContact CE2-CE2 4.13Å; Y130-F138 HydrophobicContact CG-CE2 4.35Å; V134-F138 HydrophobicContact CG1-CD1 4.49Å; V134-F138 HydrophobicContact CG1-CE1 3.69Å; V134-F138 HydrophobicContact CG1-CE2 3.79Å; V134-F138 HydrophobicContact CG1-CZ 3.28Å; V134-F138 WeakPolarHBondContact O-CD1 3.39Å; V134-F138 WeakPolarHBondContact O-CG 3.31Å; V134-F138 PolarHBondContact O-N 2.95Å; I135-F138 HydrophobicContact CD1-CD2 4.06Å; I135-F138 HydrophobicContact CD1-CE2 4.32Å; I135-F138 PolarHBondContact O-N 3.07Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 3.38Å; F138-S141 PolarHBondContact O-N 3.05Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 PolarHBondContact O-N 3.17Å
139K89.4Confident78.6Confident39 Ų3974.3 Ų74.317%0.1738%0.38CS..Hα-helixtrans-59.7-41.7175.3-70.5174.7177.9172.30111.5F121 E125 I135 L142 R143F121-K139 HydrophobicContact CB-CG 4.17Å; F121-K139 HydrophobicContact CD2-CG 4.21Å; E125-K139 IonicContact OE1-NZ 2.74Å; E125-K139 PolarHBondContact OE1-NZ 3.29Å; E125-K139 IonicContact OE2-NZ 3.01Å; E125-K139 PolarHBondContact OE2-NZ 2.86Å; I135-K139 HydrophobicContact CG2-CD 3.89Å; I135-K139 HydrophobicContact CG2-CG 4.17Å; I135-K139 WeakPolarHBondContact O-CG 3.27Å; I135-K139 PolarHBondContact O-N 3.49Å; K139-L142 WeakPolarHBondContact O-CB 3.45Å; K139-L142 PolarHBondContact O-N 3.05Å; K139-R143 WeakPolarHBondContact O-CG 3.36Å; K139-R143 PolarHBondContact O-N 2.83Å
140A88.2Confident76.1Confident44 Ų4482.8 Ų82.836%0.36442%0.417SS..Hα-helixtrans-63.5-44.1175.200000112A136 F138 L142 R143 K144A136-A140 WeakPolarHBondContact O-CB 3.48Å; A136-A140 PolarHBondContact O-N 3.49Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 3.38Å; A140-L142 VanDerWaalsContact C-N 3.31Å; A140-L142 PolarHBondContact O-N 3.47Å; A140-R143 PolarHBondContact O-N 3.19Å; A140-K144 WeakPolarHBondContact O-CG 3.36Å; A140-K144 PolarHBondContact O-N 3.28Å; A140-K144 VanDerWaalsContact O-N 3.15Å
141S87.3Confident74Confident9 Ų986.8 Ų86.86%0.06344%0.438CS..Hα-helixtrans-62.4-37.2175.5-66.80000112.5P102 L106 Q137 F138 R143 K144P102-S141 WeakPolarHBondContact O-CB 3.49Å; L106-S141 WeakPolarHBondContact CD2-O 3.46Å; Q137-S141 WeakPolarHBondContact O-CB 3.5Å; Q137-S141 PolarHBondContact O-N 3.21Å; Q137-S141 PolarHBondContact O-OG 2.92Å; Q137-S141 VanDerWaalsContact O-OG 3.05Å; F138-S141 PolarHBondContact O-N 3.05Å; S141-R143 VanDerWaalsContact C-N 3.33Å; S141-R143 PolarHBondContact O-N 3.05Å; S141-K144 PolarHBondContact O-N 3.28Å
142L85.4Confident71.7Confident6 Ų685.4 Ų85.43%0.03143%0.43CS..Hα-helixtrans-67.4-30.1175.2-167.468.1000113.3A105 I108 R114 V117 E118 F121 F138 K139 A140A105-L142 HydrophobicContact CB-CB 4.18Å; A105-L142 HydrophobicContact CB-CD1 4.19Å; I108-L142 HydrophobicContact CB-CD1 3.89Å; I108-L142 HydrophobicContact CG1-CD1 4.41Å; I108-L142 HydrophobicContact CG2-CD1 4.12Å; R114-L142 HydrophobicContact CG-CD1 3.79Å; R114-L142 HydrophobicContact CG-CD2 3.84Å; R114-L142 HydrophobicContact CG-CG 3.52Å; V117-L142 HydrophobicContact CB-CD1 4.35Å; V117-L142 HydrophobicContact CB-CD2 4.34Å; V117-L142 HydrophobicContact CG1-CD1 3.96Å; V117-L142 HydrophobicContact CG1-CD2 4.09Å; E118-L142 HydrophobicContact CB-CD2 3.74Å; E118-L142 HydrophobicContact CG-CD2 4.34Å; F121-L142 HydrophobicContact CD2-CD2 4.17Å; F121-L142 HydrophobicContact CE2-CB 4.29Å; F121-L142 HydrophobicContact CE2-CD2 4Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 PolarHBondContact O-N 3.17Å; K139-L142 WeakPolarHBondContact O-CB 3.45Å; K139-L142 PolarHBondContact O-N 3.05Å; A140-L142 VanDerWaalsContact C-N 3.31Å; A140-L142 PolarHBondContact O-N 3.47Å
143R80.8Confident69.2Low172 Ų17288 Ų8865%0.64944%0.439SS*.Hα-helixtrans-85.6-15.9179-73.1176.7172.9-135.5-3.7114.3E118 K139 A140 S141 K145E118-R143 IonicContact OE1-CZ 3.14Å; E118-R143 VanDerWaalsContact OE1-CZ 3.32Å; E118-R143 IonicContact OE1-NE 2.79Å; E118-R143 PolarHBondContact OE1-NE 3.47Å; E118-R143 IonicContact OE1-NH2 3.32Å; E118-R143 PolarHBondContact OE1-NH2 3.45Å; K139-R143 WeakPolarHBondContact O-CG 3.36Å; K139-R143 PolarHBondContact O-N 2.83Å; A140-R143 PolarHBondContact O-N 3.19Å; S141-R143 VanDerWaalsContact C-N 3.33Å; S141-R143 PolarHBondContact O-N 3.05Å; R143-K145 PolarHBondContact O-N 3.27Å
144K75.1Confident66.8Low114 Ų11484 Ų8450%0.49642%0.419SS..  trans-70.584.7177.3-75.8171.5-171.3176.90111.5L106 A140 S141 A146 I148L106-K144 HydrophobicContact CD2-CB 4.14Å; A140-K144 WeakPolarHBondContact O-CG 3.36Å; A140-K144 PolarHBondContact O-N 3.28Å; A140-K144 VanDerWaalsContact O-N 3.15Å; S141-K144 PolarHBondContact O-N 3.28Å; K144-A146 PolarHBondContact O-N 3.23Å; K144-I148 HydrophobicContact CB-CD1 4.25Å; K144-I148 HydrophobicContact CD-CD1 3.61Å; K144-I148 HydrophobicContact CG-CD1 4.42Å
145K48.3Very low64.3Low163 Ų16385 Ų8571%0.70943%0.431SS*.  trans-55.4111.6173-78.7-169.2177.2-178.10111.5R143 K147R143-K145 PolarHBondContact O-N 3.27Å; K145-K147 VanDerWaalsContact C-N 3.27Å; K145-K147 PolarHBondContact O-N 3.26Å
146A46.7Very low61.7Low77 Ų7791 Ų9164%0.63647%0.468SS*.SBendtrans55.40.6151.300000121.2K144 I148K144-A146 PolarHBondContact O-N 3.23Å; A146-I148 PolarHBondContact O-N 3.44Å
147K44.9Very low59.3Low185 Ų18593.4 Ų93.480%0.80448%0.477SS*.SBendtrans-82.7-2.4177.7-68.8-170.4176.7-175.20115.5K145K145-K147 VanDerWaalsContact C-N 3.27Å; K145-K147 PolarHBondContact O-N 3.26Å
148I48.1Very low56.8Low38 Ų3893.2 Ų93.220%0.19549%0.486CS..  trans-110.21.4-165.3-70.8173.6000115.1L106 K144 A146 K150 L151 C152L106-I148 HydrophobicContact CD1-CG2 3.65Å; L106-I148 HydrophobicContact CD2-CB 4.21Å; L106-I148 HydrophobicContact CD2-CD1 4.02Å; L106-I148 HydrophobicContact CD2-CG2 4.12Å; L106-I148 HydrophobicContact CG-CG2 4.47Å; K144-I148 HydrophobicContact CB-CD1 4.25Å; K144-I148 HydrophobicContact CD-CD1 3.61Å; K144-I148 HydrophobicContact CG-CD1 4.42Å; A146-I148 PolarHBondContact O-N 3.44Å; I148-K150 PolarHBondContact O-N 3.41Å; I148-K150 VanDerWaalsContact O-N 3.1Å; I148-L151 HydrophobicContact CB-CB 4.32Å; I148-L151 HydrophobicContact CG1-CB 4.28Å; I148-L151 HydrophobicContact CG1-CD1 4.1Å; I148-L151 HydrophobicContact CG2-CB 3.98Å; I148-L151 PolarHBondContact O-N 2.86Å; I148-C152 HydrophobicContact CG2-CB 4.38Å; I148-C152 PolarHBondContact O-N 3.18Å; I148-C152 VanDerWaalsContact O-N 3.15Å
149T42.2Very low54.1Low113 Ų113101.5 Ų101.569%0.69352%0.522SS*.THydrogen-bonded Turntrans-59.6-26.2175.9-400000112.8
150K40.2Very low51.4Low190 Ų190108.6 Ų108.683%0.82656%0.556SS**THydrogen-bonded Turntrans-84.8-20.6168.9-89-168.7173.9-174.60115.2I148I148-K150 PolarHBondContact O-N 3.41Å; I148-K150 VanDerWaalsContact O-N 3.1Å
151L48.2Very low48.7Very low97 Ų97116.3 Ų116.351%0.50858%0.581SS.*THydrogen-bonded Turntrans-95.6-22.5-170.2-87.7147.3000114.1I148 F153 K154I148-L151 HydrophobicContact CB-CB 4.32Å; I148-L151 HydrophobicContact CG1-CB 4.28Å; I148-L151 HydrophobicContact CG1-CD1 4.1Å; I148-L151 HydrophobicContact CG2-CB 3.98Å; I148-L151 PolarHBondContact O-N 2.86Å; L151-F153 PolarHBondContact O-N 2.81Å; L151-K154 PolarHBondContact O-N 3.07Å
152C42.8Very low46Very low49 Ų49127.5 Ų127.533%0.33162%0.622SS.*G310 helixtrans-66.5-18.9-174.9-1610000114I148I148-C152 HydrophobicContact CG2-CB 4.38Å; I148-C152 PolarHBondContact O-N 3.18Å; I148-C152 VanDerWaalsContact O-N 3.15Å
153F37.2Very low43.6Very low201 Ų201131.3 Ų131.388%0.88265%0.654SS**G310 helixtrans-77.1-20.2174.1-140.7-89.8000112.7L151L151-F153 PolarHBondContact O-N 2.81Å
154K41.4Very low41.8Very low84 Ų84128.8 Ų128.837%0.36566%0.66SS.*G310 helixtrans-92.8-0.1-173.8-160.4164.9-178.31720113.9L151 L269L151-K154 PolarHBondContact O-N 3.07Å; K154-L269 HydrophobicContact CG-CD2 4.12Å; K154-L269 PolarHBondContact NZ-O 2.87Å
155A38.8Very low39.4Very low55 Ų55129.4 Ų129.446%0.45567%0.674SS.*SBendtrans-104.4-5.8-170.800000115.8S158A155-S158 PolarHBondContact O-OG 3.11Å
156V36.1Very low38.4Very low126 Ų126126.2 Ų126.276%0.76467%0.672SS**SBendtrans-78.7-21.1-177.8179.90000112.3
157V41Very low37.3Very low102 Ų102129.2 Ų129.262%0.61868%0.683SS**SBendtrans-85.2-15.6-174.7-175.60000113.3L269V157-L269 HydrophobicContact CG1-CD1 4.11Å
158S39.3Very low36.7Very low93 Ų93130 Ų13065%0.6569%0.686SS**  trans-103.524.4-159.744.10000116.9A155A155-S158 PolarHBondContact O-OG 3.11Å
159K34.1Very low35.7Very low174 Ų174133.1 Ų133.176%0.75772%0.718SS**  trans-125.265.7175.4-99.7-164.9178.5-175.30114.3
160Q34.3Very low35.3Very low189 Ų189134.6 Ų134.688%0.88373%0.726SS**  trans-145.571.9156.8-163.7163.32.700112.8
161K31.6Very low35Very low205 Ų205130.4 Ų130.489%0.89172%0.721SS**  trans-161.6114.7162.4-142.4172.3-173.2175.10115.4
162R29Very low34Very low244 Ų244131.3 Ų131.392%0.92173%0.731SS**  trans-155103.7138.8-79.8-161.7178-167.3-0.2105.1
163A34.7Very low33.6Very low86 Ų86138.4 Ų138.471%0.71176%0.756SS**  79.3148.679.300000111.6
164P44.4Very low33.4Very low119 Ų119135 Ų13577%0.77375%0.751SS**  cis-90.1-161.426.136.8-33.6000114.4
165T23.6Very low33.4Very low128 Ų128136.6 Ų136.679%0.78577%0.77SS**  cis-153.7159.514.8-27.30000114.4
166S27.3Very low33.8Very low95 Ų95138.5 Ų138.566%0.66478%0.778SS**  trans4.5121.6154.9-171.70000121.9
167T24.9Very low34.9Very low141 Ų141138.5 Ų138.587%0.86577%0.774SS**  -161.7166.2101.512.50000112.6
168K30.5Very low36Very low202 Ų202141.8 Ų141.888%0.87878%0.78SS**  trans-80145.5-161.3-62.8168.4174.7173.60115.2
169A28.2Very low37.3Very low103 Ų103140.2 Ų140.285%0.85177%0.773SS**  trans-155.7144.6130.300000109.5
170V32.8Very low39Very low144 Ų144134.9 Ų134.987%0.87376%0.761SS**  trans-126.2128.7-175.9169.60000109.6
171S33.8Very low40.9Very low101 Ų101130 Ų13071%0.70674%0.74SS**  trans-164.8136.9141.7-147.70000115
172T27.9Very low42.9Very low117 Ų117125 Ų12572%0.71872%0.718SS**  trans49.9102.8149.8530000123.4
173K34.7Very low45.2Very low198 Ų198116.7 Ų116.786%0.86170%0.698SS**  42.5139.1118.4-60.9-178.1-179.8179.60122.1
174T32.5Very low47.4Very low128 Ų128118.3 Ų118.379%0.78569%0.689SS**  trans90.8129.8159.8-38.20000116
175P41.8Very low49.1Very low118 Ų118114.4 Ų114.477%0.76666%0.661SS**  trans-72129.8-175.527.9-35.1000112.4
176P46.8Very low51.6Low95 Ų95109.7 Ų109.762%0.61763%0.632SS**  trans-71.9135.3-178.928.9-34.3000111.3K178 L181P176-K178 PolarHBondContact O-N 3.1Å; P176-K178 VanDerWaalsContact O-N 3.15Å; P176-L181 HydrophobicContact CB-CD1 4.1Å; P176-L181 HydrophobicContact CB-CG 4.47Å; P176-L181 HydrophobicContact CG-CD1 4.1Å
177N59.3Low53.9Low126 Ų126109.3 Ų109.367%0.67464%0.635SS**  trans-63.7115.6-177.7-140.6-21.2000109.9A179 A180 L181N177-A179 PolarHBondContact O-N 3.26Å; N177-A180 HydrophobicContact CB-CB 4.37Å; N177-A180 PolarHBondContact O-N 3.28Å; N177-L181 PolarHBondContact O-N 3.3Å
178K63.9Low56.6Low171 Ų171108.6 Ų108.674%0.74362%0.622SS**Hα-helixtrans-59.5-16.9-173.1-122.8177.2-173171.10114.1P176 K182P176-K178 PolarHBondContact O-N 3.1Å; P176-K178 VanDerWaalsContact O-N 3.15Å; K178-K182 WeakPolarHBondContact O-CG 3.38Å
179A66.2Low59.4Low61 Ų61100.2 Ų100.250%0.50459%0.585SS.*Hα-helixtrans-77.6-48.6172.500000112.2N177 L181 K182 S183N177-A179 PolarHBondContact O-N 3.26Å; A179-L181 VanDerWaalsContact C-N 3.31Å; A179-L181 PolarHBondContact O-N 3.48Å; A179-K182 WeakPolarHBondContact O-CA 3.41Å; A179-K182 WeakPolarHBondContact O-CB 3.45Å; A179-K182 PolarHBondContact O-N 3.23Å; A179-S183 PolarHBondContact O-N 3.05Å; A179-S183 PolarHBondContact O-OG 3.4Å
180A71.7Confident62.2Low61 Ų6199.2 Ų99.250%0.50457%0.569SS.*Hα-helixtrans-59.8-39.8-177.500000112.5N177 K182 S183 K184N177-A180 HydrophobicContact CB-CB 4.37Å; N177-A180 PolarHBondContact O-N 3.28Å; A180-K182 VanDerWaalsContact C-N 3.31Å; A180-K182 PolarHBondContact O-N 3.26Å; A180-S183 PolarHBondContact O-N 3.38Å; A180-K184 PolarHBondContact O-N 3.01Å
181L72.3Confident64.9Low87 Ų8794.7 Ų94.746%0.45554%0.543SS..Hα-helixtrans-62.2-36.8174.1-65.9175.9000112.4P176 N177 A179 I185P176-L181 HydrophobicContact CB-CD1 4.1Å; P176-L181 HydrophobicContact CB-CG 4.47Å; P176-L181 HydrophobicContact CG-CD1 4.1Å; N177-L181 PolarHBondContact O-N 3.3Å; A179-L181 VanDerWaalsContact C-N 3.31Å; A179-L181 PolarHBondContact O-N 3.48Å; L181-I185 WeakPolarHBondContact O-CB 3.39Å; L181-I185 WeakPolarHBondContact O-CD1 3.47Å; L181-I185 WeakPolarHBondContact O-CG1 3.4Å; L181-I185 PolarHBondContact O-N 3.25Å
182K75.3Confident67.6Low99 Ų9996.6 Ų96.643%0.4354%0.54SS..Hα-helixtrans-70.9-41.2176.7-68.9176.9178.2-169.50112K178 A179 A180 K184 I185 V186 I277 M281K178-K182 WeakPolarHBondContact O-CG 3.38Å; A179-K182 WeakPolarHBondContact O-CA 3.41Å; A179-K182 WeakPolarHBondContact O-CB 3.45Å; A179-K182 PolarHBondContact O-N 3.23Å; A180-K182 VanDerWaalsContact C-N 3.31Å; A180-K182 PolarHBondContact O-N 3.26Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 3.02Å; K182-I185 PolarHBondContact O-N 2.91Å; K182-V186 WeakPolarHBondContact O-CB 3.39Å; K182-V186 VanDerWaalsContact O-CG2 3.22Å; K182-V186 WeakPolarHBondContact O-CG2 3.15Å; K182-V186 PolarHBondContact O-N 3.18Å; K182-I277 HydrophobicContact CB-CG2 4.07Å; K182-I277 HydrophobicContact CD-CG2 4.47Å; K182-I277 HydrophobicContact CG-CG2 3.97Å; K182-M281 HydrophobicContact CB-CE 4.3Å
183S76.4Confident70.5Confident71 Ų7193.4 Ų93.450%0.49752%0.523SS..Hα-helixtrans-61.5-41.1175.1-58.80000111.4A179 A180 V186 A187A179-S183 PolarHBondContact O-N 3.05Å; A179-S183 PolarHBondContact O-OG 3.4Å; A180-S183 PolarHBondContact O-N 3.38Å; S183-V186 PolarHBondContact O-N 2.96Å; S183-A187 PolarHBondContact O-N 3.01Å
184K81Confident73.3Confident120 Ų12084.7 Ų84.752%0.52249%0.485SS..Hα-helixtrans-62.6-48173.9-174.1174.2179.3-179.70112.1A180 K182 V186 A187 E188A180-K184 PolarHBondContact O-N 3.01Å; K182-K184 VanDerWaalsContact C-N 3.31Å; K182-K184 PolarHBondContact O-N 3.02Å; K184-V186 VanDerWaalsContact C-N 3.25Å; K184-V186 PolarHBondContact O-N 2.93Å; K184-A187 PolarHBondContact O-N 3.12Å; K184-E188 WeakPolarHBondContact CE-OE1 3.36Å; K184-E188 WeakPolarHBondContact CE-OE2 3.44Å; K184-E188 IonicContact NZ-OE1 2.79Å; K184-E188 PolarHBondContact NZ-OE1 2.86Å; K184-E188 IonicContact NZ-OE2 2.71Å; K184-E188 PolarHBondContact O-N 3.37Å
185I79.8Confident76.1Confident37 Ų3783.8 Ų83.819%0.1947%0.474CS..Hα-helixtrans-55.4-42.1175.4-74.5164000111.3L181 K182 F189 N274 I277L181-I185 WeakPolarHBondContact O-CB 3.39Å; L181-I185 WeakPolarHBondContact O-CD1 3.47Å; L181-I185 WeakPolarHBondContact O-CG1 3.4Å; L181-I185 PolarHBondContact O-N 3.25Å; K182-I185 PolarHBondContact O-N 2.91Å; I185-F189 WeakPolarHBondContact O-CB 3.33Å; I185-F189 PolarHBondContact O-N 3.37Å; I185-N274 HydrophobicContact CG2-CB 3.67Å; I185-I277 HydrophobicContact CD1-CD1 3.86Å; I185-I277 HydrophobicContact CG2-CB 4.27Å; I185-I277 HydrophobicContact CG2-CD1 4.46Å; I185-I277 HydrophobicContact CG2-CG2 4.18Å
186V75.8Confident78.6Confident28 Ų2882 Ų8217%0.1746%0.456CS..Hα-helixtrans-68.8-36.2-179.4168.80000112.2K182 S183 K184 I277 F278 M281K182-V186 WeakPolarHBondContact O-CB 3.39Å; K182-V186 VanDerWaalsContact O-CG2 3.22Å; K182-V186 WeakPolarHBondContact O-CG2 3.15Å; K182-V186 PolarHBondContact O-N 3.18Å; S183-V186 PolarHBondContact O-N 2.96Å; K184-V186 VanDerWaalsContact C-N 3.25Å; K184-V186 PolarHBondContact O-N 2.93Å; V186-I277 HydrophobicContact CG2-CG2 4.4Å; V186-F278 HydrophobicContact CB-CD2 4.35Å; V186-F278 HydrophobicContact CG1-CD2 3.98Å; V186-F278 HydrophobicContact CG1-CE2 4.23Å; V186-F278 HydrophobicContact CG2-CD2 4.38Å; V186-M281 HydrophobicContact CB-SD 4.34Å; V186-M281 HydrophobicContact CG1-SD 4.14Å; V186-M281 HydrophobicContact CG2-CB 4.36Å; V186-M281 HydrophobicContact CG2-CE 3.9Å; V186-M281 HydrophobicContact CG2-SD 3.74Å
187A76.1Confident80.7Confident88 Ų8880.5 Ų80.573%0.72744%0.441SS*.Hα-helixtrans-73.6-33.5178.200000113.6S183 K184S183-A187 PolarHBondContact O-N 3.01Å; K184-A187 PolarHBondContact O-N 3.12Å
188E81.8Confident82.3Confident126 Ų12677.9 Ų77.959%0.58943%0.426SS*.Hα-helixtrans-91.2-10.8-179.3-67.3177.6165.800113.3K184 T190K184-E188 WeakPolarHBondContact CE-OE1 3.36Å; K184-E188 WeakPolarHBondContact CE-OE2 3.44Å; K184-E188 IonicContact NZ-OE1 2.79Å; K184-E188 PolarHBondContact NZ-OE1 2.86Å; K184-E188 IonicContact NZ-OE2 2.71Å; K184-E188 PolarHBondContact O-N 3.37Å; E188-T190 PolarHBondContact O-N 2.91Å
189F88.6Confident83.8Confident25 Ų2573.3 Ų73.311%0.1142%0.416CS..  trans-73.5117-175.1-178.9-100.3000112.9I185 P191 L194 N274 A275 F278 Y279I185-F189 WeakPolarHBondContact O-CB 3.33Å; I185-F189 PolarHBondContact O-N 3.37Å; F189-P191 HydrophobicContact CD1-CG 4.28Å; F189-P191 HydrophobicContact CE1-CB 4.35Å; F189-P191 HydrophobicContact CE1-CG 3.9Å; F189-L194 HydrophobicContact CE2-CB 4.38Å; F189-L194 HydrophobicContact CE2-CD2 4.24Å; F189-L194 HydrophobicContact CZ-CB 4.31Å; F189-L194 HydrophobicContact CZ-CD2 3.86Å; F189-N274 HydrophobicContact CD2-CB 4.15Å; F189-A275 HydrophobicContact CE2-CB 3.58Å; F189-A275 HydrophobicContact CZ-CB 3.52Å; F189-F278 HydrophobicContact CB-CB 4.4Å; F189-F278 HydrophobicContact CB-CD2 4.02Å; F189-F278 HydrophobicContact CB-CG 4.34Å; F189-F278 HydrophobicContact CD1-CB 3.72Å; F189-F278 AromaticContact CD1-CD1 3.56Å; F189-F278 HydrophobicContact CD1-CD1 3.56Å; F189-F278 AromaticContact CD1-CD2 3.67Å; F189-F278 HydrophobicContact CD1-CD2 3.67Å; F189-F278 HydrophobicContact CD1-CE1 4.05Å; F189-F278 HydrophobicContact CD1-CE2 4.16Å; F189-F278 AromaticContact CD1-CG 3.35Å; F189-F278 HydrophobicContact CD1-CG 3.35Å; F189-F278 HydrophobicContact CD1-CZ 4.33Å; F189-F278 HydrophobicContact CE1-CB 4.17Å; F189-F278 AromaticContact CE1-CD1 3.69Å; F189-F278 HydrophobicContact CE1-CD1 3.69Å; F189-F278 HydrophobicContact CE1-CE1 4.23Å; F189-F278 AromaticContact CE1-CG 3.91Å; F189-F278 HydrophobicContact CE1-CG 3.91Å; F189-F278 HydrophobicContact CG-CB 4.03Å; F189-F278 HydrophobicContact CG-CD2 4.2Å; F189-F278 HydrophobicContact CG-CG 4.05Å; F189-Y279 HydrophobicContact CE1-CE2 4.15Å; F189-Y279 HydrophobicContact CZ-CE2 4.28Å
190T88Confident85.1Confident83 Ų8378 Ų7851%0.50942%0.42SS..  trans-108.2111176.4-58.60000110.7E188 H192 S193 L194E188-T190 PolarHBondContact O-N 2.91Å; T190-H192 VanDerWaalsContact C-N 3.29Å; T190-H192 HydrophobicContact CG2-CB 4.28Å; T190-H192 PolarHBondContact O-N 2.89Å; T190-S193 PolarHBondContact O-N 3.26Å; T190-L194 PolarHBondContact O-N 3.29Å
191P89.7Confident86Confident49 Ų4979.2 Ų79.232%0.31842%0.416SS..Hα-helixtrans-56.9-37.2-179.1-2734.1000114.3F189 S193 L194 I195F189-P191 HydrophobicContact CD1-CG 4.28Å; F189-P191 HydrophobicContact CE1-CB 4.35Å; F189-P191 HydrophobicContact CE1-CG 3.9Å; P191-S193 PolarHBondContact O-N 2.83Å; P191-L194 PolarHBondContact O-N 2.89Å; P191-I195 WeakPolarHBondContact O-CG1 3.3Å; P191-I195 PolarHBondContact O-N 3.16Å; P191-I195 VanDerWaalsContact O-N 3.09Å
192H89.6Confident87Confident140 Ų14082.9 Ų82.965%0.64843%0.428SS*.Hα-helixtrans-61.9-43.1-179.6-171.880.2000112.5T190 L194 I195 E196T190-H192 VanDerWaalsContact C-N 3.29Å; T190-H192 HydrophobicContact CG2-CB 4.28Å; T190-H192 PolarHBondContact O-N 2.89Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 2.97Å; H192-I195 PolarHBondContact O-N 3.31Å; H192-E196 PolarHBondContact O-N 3.34Å
193S90.1Very high87.9Confident51 Ų5184 Ų8436%0.35743%0.434SS..Hα-helixtrans-61.4-40.3177.3179.30000111.9T190 P191 E196 Q197T190-S193 PolarHBondContact O-N 3.26Å; P191-S193 PolarHBondContact O-N 2.83Å; S193-E196 PolarHBondContact O-N 3.35Å; S193-Q197 WeakPolarHBondContact O-CG 3.37Å; S193-Q197 PolarHBondContact O-N 3.2Å
194L91.7Very high88.6Confident15 Ų1581 Ų818%0.07942%0.415CS..Hα-helixtrans-63.9-44174.2177.669.1000112F189 T190 P191 H192 E196 Q197 L198 L268 A271 L272 A275F189-L194 HydrophobicContact CE2-CB 4.38Å; F189-L194 HydrophobicContact CE2-CD2 4.24Å; F189-L194 HydrophobicContact CZ-CB 4.31Å; F189-L194 HydrophobicContact CZ-CD2 3.86Å; T190-L194 PolarHBondContact O-N 3.29Å; P191-L194 PolarHBondContact O-N 2.89Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 2.97Å; L194-E196 VanDerWaalsContact C-N 3.29Å; L194-E196 PolarHBondContact O-N 2.91Å; L194-Q197 PolarHBondContact O-N 2.76Å; L194-L198 HydrophobicContact CD1-CD1 4.22Å; L194-L198 HydrophobicContact CD1-CG 4.34Å; L194-L198 HydrophobicContact CD2-CD1 4.45Å; L194-L198 HydrophobicContact CG-CD1 3.93Å; L194-L198 HydrophobicContact CG-CG 4.45Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 WeakPolarHBondContact O-CG 3.5Å; L194-L198 PolarHBondContact O-N 3.06Å; L194-L268 HydrophobicContact CD1-CD1 4.32Å; L194-A271 HydrophobicContact CD1-CB 3.89Å; L194-L272 HydrophobicContact CD1-CD2 3.99Å; L194-L272 HydrophobicContact CD1-CG 4.07Å; L194-A275 HydrophobicContact CD2-CB 3.56Å
195I93.2Very high89.1Confident108 Ų10877.4 Ų77.455%0.55441%0.407SS*.Hα-helixtrans-61.3-42.2178.6-67.6163.8000110.2P191 H192 L198 S199P191-I195 WeakPolarHBondContact O-CG1 3.3Å; P191-I195 PolarHBondContact O-N 3.16Å; P191-I195 VanDerWaalsContact O-N 3.09Å; H192-I195 PolarHBondContact O-N 3.31Å; I195-L198 PolarHBondContact O-N 3.36Å; I195-S199 WeakPolarHBondContact O-CB 3.41Å; I195-S199 PolarHBondContact O-N 2.93Å
196E93.6Very high89.8Confident81 Ų8178.3 Ų78.338%0.37942%0.42SS..Hα-helixtrans-62.3-48.1176.3-163-161.9157.700111.9H192 S193 L194 L198 S199 R200H192-E196 PolarHBondContact O-N 3.34Å; S193-E196 PolarHBondContact O-N 3.35Å; L194-E196 VanDerWaalsContact C-N 3.29Å; L194-E196 PolarHBondContact O-N 2.91Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.1Å; E196-S199 WeakPolarHBondContact O-CB 3.39Å; E196-S199 PolarHBondContact O-N 2.87Å; E196-R200 WeakPolarHBondContact O-CG 3.43Å; E196-R200 PolarHBondContact O-N 3.1Å; E196-R200 IonicContact OE1-CZ 2.71Å; E196-R200 IonicContact OE1-NE 2.66Å; E196-R200 PolarHBondContact OE1-NE 3.06Å; E196-R200 IonicContact OE1-NH2 3.35Å; E196-R200 PolarHBondContact OE1-NH2 2.96Å
197Q90.9Very high90.6Very high63 Ų6380.4 Ų80.429%0.29443%0.428SS..Hα-helixtrans-61.4-40.4177.1-70.1-179.56.500112.3S193 L194 H201 L268S193-Q197 WeakPolarHBondContact O-CG 3.37Å; S193-Q197 PolarHBondContact O-N 3.2Å; L194-Q197 PolarHBondContact O-N 2.76Å; Q197-H201 WeakPolarHBondContact O-CB 3.24Å; Q197-H201 PolarHBondContact O-N 3.17Å; Q197-L268 HydrophobicContact CB-CD1 3.95Å
198L93.6Very high91.4Very high72 Ų7280 Ų8038%0.37741%0.411SS..Hα-helixtrans-65-39.6174.8-75.8169.7000112.3L194 I195 E196 K202 L268 L272L194-L198 HydrophobicContact CD1-CD1 4.22Å; L194-L198 HydrophobicContact CD1-CG 4.34Å; L194-L198 HydrophobicContact CD2-CD1 4.45Å; L194-L198 HydrophobicContact CG-CD1 3.93Å; L194-L198 HydrophobicContact CG-CG 4.45Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 WeakPolarHBondContact O-CG 3.5Å; L194-L198 PolarHBondContact O-N 3.06Å; I195-L198 PolarHBondContact O-N 3.36Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.1Å; L198-K202 WeakPolarHBondContact O-CB 3.32Å; L198-K202 PolarHBondContact O-N 2.96Å; L198-L268 HydrophobicContact CD2-CD1 3.9Å; L198-L268 HydrophobicContact CG-CD1 4.09Å; L198-L272 HydrophobicContact CD1-CD2 4.43Å; L198-L272 HydrophobicContact CD2-CD1 4.41Å; L198-L272 HydrophobicContact CD2-CD2 4.27Å
199S94.3Very high91.9Very high74 Ų7479 Ų7952%0.51741%0.407SS..Hα-helixtrans-64.6-47.8176.1-167.60000111.4I195 E196 H201 K202 Q203I195-S199 WeakPolarHBondContact O-CB 3.41Å; I195-S199 PolarHBondContact O-N 2.93Å; E196-S199 WeakPolarHBondContact O-CB 3.39Å; E196-S199 PolarHBondContact O-N 2.87Å; S199-H201 PolarHBondContact O-N 3.03Å; S199-K202 WeakPolarHBondContact O-CB 3.32Å; S199-K202 PolarHBondContact O-N 3.36Å; S199-K202 VanDerWaalsContact O-N 3.17Å; S199-Q203 PolarHBondContact O-N 2.89Å
200R92.9Very high92.1Very high160 Ų16081.5 Ų81.560%0.60442%0.424SS*.Hα-helixtrans-57.6-47175.7-71.5172.4178.6-94.46.7111.8E196 K202 Q203 A204E196-R200 WeakPolarHBondContact O-CG 3.43Å; E196-R200 PolarHBondContact O-N 3.1Å; E196-R200 IonicContact OE1-CZ 2.71Å; E196-R200 IonicContact OE1-NE 2.66Å; E196-R200 PolarHBondContact OE1-NE 3.06Å; E196-R200 IonicContact OE1-NH2 3.35Å; E196-R200 PolarHBondContact OE1-NH2 2.96Å; R200-K202 PolarHBondContact O-N 3.38Å; R200-Q203 PolarHBondContact O-N 2.96Å; R200-A204 PolarHBondContact O-N 3.33Å
201H92.3Very high92.1Very high87 Ų8780.3 Ų80.340%0.40341%0.41SS..Hα-helixtrans-65.4-36.1176.8-177.1-71.6000112.6Q197 S199 A204 A205 L268Q197-H201 WeakPolarHBondContact O-CB 3.24Å; Q197-H201 PolarHBondContact O-N 3.17Å; S199-H201 PolarHBondContact O-N 3.03Å; H201-A204 PolarHBondContact O-N 3.1Å; H201-A205 WeakPolarHBondContact O-CB 3.38Å; H201-A205 PolarHBondContact O-N 2.88Å; H201-L268 HydrophobicContact CB-CD2 3.67Å; H201-L268 VanDerWaalsContact CD2-CD2 3.48Å; H201-L268 WeakPolarHBondContact CD2-CD2 3.46Å
202K93.4Very high92.1Very high164 Ų16482.8 Ų82.871%0.71342%0.417SS*.Hα-helixtrans-64.3-40.9173.9-179.3-174.9173.6-171.10111.6L198 S199 R200 A206L198-K202 WeakPolarHBondContact O-CB 3.32Å; L198-K202 PolarHBondContact O-N 2.96Å; S199-K202 WeakPolarHBondContact O-CB 3.32Å; S199-K202 PolarHBondContact O-N 3.36Å; S199-K202 VanDerWaalsContact O-N 3.17Å; R200-K202 PolarHBondContact O-N 3.38Å; K202-A206 PolarHBondContact O-N 2.89Å
203Q93.1Very high92Very high121 Ų12181.1 Ų81.157%0.56541%0.408SS*.Hα-helixtrans-64.5-47.2174.6-179.7178.9-16.500111.2S199 R200 A205 A206 E207S199-Q203 PolarHBondContact O-N 2.89Å; R200-Q203 PolarHBondContact O-N 2.96Å; Q203-A205 VanDerWaalsContact C-N 3.33Å; Q203-A205 PolarHBondContact O-N 3.26Å; Q203-A206 WeakPolarHBondContact O-CA 3.49Å; Q203-A206 WeakPolarHBondContact O-CB 3.46Å; Q203-A206 PolarHBondContact O-N 2.85Å; Q203-E207 PolarHBondContact NE2-OE1 3.26Å; Q203-E207 PolarHBondContact O-N 3.36Å
204A92Very high91.9Very high10 Ų1083.6 Ų83.68%0.08341%0.414CS..Hα-helixtrans-59.2-41.3178.400000112.5R200 H201 A206 E207 E208 F257 E261R200-A204 PolarHBondContact O-N 3.33Å; H201-A204 PolarHBondContact O-N 3.1Å; A204-A206 VanDerWaalsContact C-N 3.27Å; A204-A206 PolarHBondContact O-N 3.24Å; A204-E207 WeakPolarHBondContact O-CB 3.29Å; A204-E207 PolarHBondContact O-N 2.87Å; A204-E208 PolarHBondContact O-N 3.48Å; A204-F257 HydrophobicContact CB-CZ 4.36Å; A204-F257 WeakPolarHBondContact O-CZ 3.47Å; A204-E261 VanDerWaalsContact CB-CD 3.48Å; A204-E261 HydrophobicContact CB-CG 3.99Å; A204-E261 WeakPolarHBondContact CB-OE2 3.39Å
205A91.7Very high91.5Very high43 Ų4384.5 Ų84.536%0.35542%0.419SS..Hα-helixtrans-64.4-28.1174.500000113.5H201 Q203 Q209H201-A205 WeakPolarHBondContact O-CB 3.38Å; H201-A205 PolarHBondContact O-N 2.88Å; Q203-A205 VanDerWaalsContact C-N 3.33Å; Q203-A205 PolarHBondContact O-N 3.26Å; A205-Q209 PolarHBondContact O-N 2.8Å
206A93.8Very high91Very high57 Ų5785.5 Ų85.547%0.47142%0.421SS..Hα-helixtrans-74.8-40.1172.200000111.6K202 Q203 A204 E208 Q209 V210K202-A206 PolarHBondContact O-N 2.89Å; Q203-A206 WeakPolarHBondContact O-CA 3.49Å; Q203-A206 WeakPolarHBondContact O-CB 3.46Å; Q203-A206 PolarHBondContact O-N 2.85Å; A204-A206 VanDerWaalsContact C-N 3.27Å; A204-A206 PolarHBondContact O-N 3.24Å; A206-E208 VanDerWaalsContact C-N 3.34Å; A206-Q209 PolarHBondContact O-N 3.06Å; A206-V210 WeakPolarHBondContact O-CG2 3.45Å; A206-V210 PolarHBondContact O-N 3.22Å
207E92.8Very high90.5Very high72 Ų7287 Ų8734%0.33644%0.435SS..Hα-helixtrans-63.4-38.3172.7-71.3-175.9-147.700112.5Q203 A204 V210 R211 F257Q203-E207 PolarHBondContact NE2-OE1 3.26Å; Q203-E207 PolarHBondContact O-N 3.36Å; A204-E207 WeakPolarHBondContact O-CB 3.29Å; A204-E207 PolarHBondContact O-N 2.87Å; E207-V210 PolarHBondContact O-N 3.43Å; E207-R211 WeakPolarHBondContact O-CB 3.5Å; E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-NH2 2.67Å; E207-R211 PolarHBondContact OE2-NH2 3.05Å; E207-F257 HydrophobicContact CB-CE2 4.27Å; E207-F257 HydrophobicContact CB-CZ 3.96Å
208E92.1Very high89.6Confident80 Ų8087.1 Ų87.137%0.37444%0.438SS..Hα-helixtrans-54.5-53172.8-169.2-176.8168.900110.5A204 A206 V210 R211 E212 F254 F257 L258A204-E208 PolarHBondContact O-N 3.48Å; A206-E208 VanDerWaalsContact C-N 3.34Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 2.83Å; E208-R211 PolarHBondContact O-N 3.2Å; E208-E212 WeakPolarHBondContact O-CB 3.3Å; E208-E212 PolarHBondContact O-N 3.38Å; E208-F254 HydrophobicContact CG-CE2 4.04Å; E208-F254 HydrophobicContact CG-CZ 4.29Å; E208-F257 HydrophobicContact CB-CE1 3.92Å; E208-F257 HydrophobicContact CG-CE1 4.37Å; E208-L258 HydrophobicContact CG-CD2 3.87Å
209Q92.9Very high88.1Confident105 Ų10594 Ų9449%0.49146%0.459SS..Hα-helixtrans-63.5-35.6179.5-169.4-171.497.100112.8A205 A206 K213A205-Q209 PolarHBondContact O-N 2.8Å; A206-Q209 PolarHBondContact O-N 3.06Å; Q209-K213 HydrophobicContact CG-CD 4.44Å; Q209-K213 WeakPolarHBondContact O-CD 3.27Å; Q209-K213 VanDerWaalsContact O-CG 3.3Å; Q209-K213 WeakPolarHBondContact O-CG 3.38Å; Q209-K213 PolarHBondContact O-N 3.23Å; Q209-K213 VanDerWaalsContact O-N 3.15Å
210V92.2Very high86.5Confident77 Ų7792.5 Ų92.547%0.46745%0.446SS..Hα-helixtrans-67.6-43.8175.2170.60000110.6A206 E207 E208 K213 Q214A206-V210 WeakPolarHBondContact O-CG2 3.45Å; A206-V210 PolarHBondContact O-N 3.22Å; E207-V210 PolarHBondContact O-N 3.43Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 2.83Å; V210-K213 PolarHBondContact O-N 3.03Å; V210-Q214 WeakPolarHBondContact O-CG 3.28Å; V210-Q214 PolarHBondContact O-N 3.26Å
211R89.1Confident84.9Confident57 Ų5789.9 Ų89.922%0.21544%0.444CS..Hα-helixtrans-70-37.3-179.1-151.7169.2-67.4103.9-9.4111.3E207 E208 Q214 L215 F254 F257E207-R211 WeakPolarHBondContact O-CB 3.5Å; E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-NH2 2.67Å; E207-R211 PolarHBondContact OE2-NH2 3.05Å; E208-R211 PolarHBondContact O-N 3.2Å; R211-Q214 WeakPolarHBondContact O-CB 3.42Å; R211-Q214 PolarHBondContact O-N 3.4Å; R211-L215 VanDerWaalsContact O-CD1 3.29Å; R211-L215 WeakPolarHBondContact O-CD1 3.26Å; R211-L215 PolarHBondContact O-N 3.06Å; R211-F254 HydrophobicContact CB-CD2 3.82Å; R211-F254 HydrophobicContact CB-CE2 4.09Å; R211-F254 HydrophobicContact CG-CB 4.29Å; R211-F254 HydrophobicContact CG-CD2 3.82Å; R211-F254 HydrophobicContact CG-CG 4.38Å; R211-F257 VanDerWaalsContact NH1-CD1 3.29Å; R211-F257 VanDerWaalsContact NH1-CZ 3.35Å
212E87.9Confident83.2Confident101 Ų10189 Ų8947%0.47245%0.445SS..Hα-helixtrans-56.9-51.5170-175.2-179.5-148.500111.8E208 Q214 L215 E216 F254E208-E212 WeakPolarHBondContact O-CB 3.3Å; E208-E212 PolarHBondContact O-N 3.38Å; E212-Q214 VanDerWaalsContact C-N 3.28Å; E212-Q214 PolarHBondContact O-N 3.31Å; E212-L215 WeakPolarHBondContact O-CB 3.4Å; E212-L215 PolarHBondContact O-N 3.32Å; E212-L215 VanDerWaalsContact O-N 3.07Å; E212-E216 PolarHBondContact O-N 3.24Å; E212-F254 HydrophobicContact CB-CZ 4.2Å
213K89.2Confident81.4Confident105 Ų10588.8 Ų88.846%0.45745%0.451SS..Hα-helixtrans-60.7-33.5176.7-74168.6178.4168.70113.3Q209 V210 T217Q209-K213 HydrophobicContact CG-CD 4.44Å; Q209-K213 WeakPolarHBondContact O-CD 3.27Å; Q209-K213 VanDerWaalsContact O-CG 3.3Å; Q209-K213 WeakPolarHBondContact O-CG 3.38Å; Q209-K213 PolarHBondContact O-N 3.23Å; Q209-K213 VanDerWaalsContact O-N 3.15Å; V210-K213 PolarHBondContact O-N 3.03Å; K213-T217 WeakPolarHBondContact O-CB 3.5Å; K213-T217 PolarHBondContact O-N 3.15Å; K213-T217 VanDerWaalsContact O-N 3.11Å; K213-T217 PolarHBondContact O-OG1 3.48Å
214Q87.3Confident79.9Confident103 Ų10384.2 Ų84.248%0.48143%0.432SS..Hα-helixtrans-66.4-43173.5-71.8172.26.500111.2V210 R211 E212 T217 L218V210-Q214 WeakPolarHBondContact O-CG 3.28Å; V210-Q214 PolarHBondContact O-N 3.26Å; R211-Q214 WeakPolarHBondContact O-CB 3.42Å; R211-Q214 PolarHBondContact O-N 3.4Å; E212-Q214 VanDerWaalsContact C-N 3.28Å; E212-Q214 PolarHBondContact O-N 3.31Å; Q214-T217 WeakPolarHBondContact O-CB 3.38Å; Q214-T217 PolarHBondContact O-N 2.91Å; Q214-L218 WeakPolarHBondContact O-CD1 3.26Å; Q214-L218 VanDerWaalsContact O-CG 3.32Å; Q214-L218 WeakPolarHBondContact O-CG 3.09Å; Q214-L218 PolarHBondContact O-N 3.47Å
215L83.7Confident78.5Confident35 Ų3589 Ų8918%0.18346%0.461CS..Hα-helixtrans-62.3-43.6174.3-93.566.7000112.4R211 E212 T217 L218 R219 L251 F254R211-L215 VanDerWaalsContact O-CD1 3.29Å; R211-L215 WeakPolarHBondContact O-CD1 3.26Å; R211-L215 PolarHBondContact O-N 3.06Å; E212-L215 WeakPolarHBondContact O-CB 3.4Å; E212-L215 PolarHBondContact O-N 3.32Å; E212-L215 VanDerWaalsContact O-N 3.07Å; L215-T217 VanDerWaalsContact C-N 3.25Å; L215-T217 PolarHBondContact O-N 3.28Å; L215-L218 PolarHBondContact O-N 2.97Å; L215-R219 PolarHBondContact O-N 3.18Å; L215-L251 HydrophobicContact CD2-CD1 3.64Å; L215-F254 HydrophobicContact CD1-CB 4.16Å; L215-F254 HydrophobicContact CD1-CG 4.49Å; L215-F254 HydrophobicContact CD2-CB 4.05Å; L215-F254 HydrophobicContact CD2-CD1 3.45Å; L215-F254 VanDerWaalsContact CD2-CD1 3.45Å; L215-F254 HydrophobicContact CD2-CE1 4.15Å; L215-F254 HydrophobicContact CD2-CG 4.01Å
216E82.6Confident77.1Confident129 Ų12991.7 Ų91.760%0.60347%0.466SS*.Hα-helixtrans-58.4-38.6174-69.2-167.4131.300112.2E212 R219E212-E216 PolarHBondContact O-N 3.24Å; E216-R219 PolarHBondContact O-N 3.46Å
217T82.9Confident75.8Confident111 Ų11189.8 Ų89.868%0.68145%0.45SS*.Hα-helixtrans-70.3-36.3-179.6-57.70000112.3K213 Q214 L215 R219K213-T217 WeakPolarHBondContact O-CB 3.5Å; K213-T217 PolarHBondContact O-N 3.15Å; K213-T217 VanDerWaalsContact O-N 3.11Å; K213-T217 PolarHBondContact O-OG1 3.48Å; Q214-T217 WeakPolarHBondContact O-CB 3.38Å; Q214-T217 PolarHBondContact O-N 2.91Å; L215-T217 VanDerWaalsContact C-N 3.25Å; L215-T217 PolarHBondContact O-N 3.28Å; T217-R219 PolarHBondContact O-N 3.48Å
218L71.8Confident74.5Confident66 Ų6692.5 Ų92.535%0.34646%0.461SS..Hα-helixtrans-68.2-17.4179.1-72.4157.9000113.2Q214 L215 V220 K250Q214-L218 WeakPolarHBondContact O-CD1 3.26Å; Q214-L218 VanDerWaalsContact O-CG 3.32Å; Q214-L218 WeakPolarHBondContact O-CG 3.09Å; Q214-L218 PolarHBondContact O-N 3.47Å; L215-L218 PolarHBondContact O-N 2.97Å; L218-V220 HydrophobicContact CB-CG2 3.63Å; L218-V220 PolarHBondContact O-N 3.04Å; L218-V220 VanDerWaalsContact O-N 3.08Å; L218-K250 HydrophobicContact CD1-CB 4.25Å; L218-K250 HydrophobicContact CD1-CD 3.45Å; L218-K250 VanDerWaalsContact CD1-CD 3.45Å; L218-K250 HydrophobicContact CD2-CD 4.44Å
219R62.6Low73.5Confident218 Ų21895.8 Ų95.882%0.82347%0.474SS*.THydrogen-bonded Turntrans4741177.4-63.3-178.3177.8177.71113L215 E216 T217 D221L215-R219 PolarHBondContact O-N 3.18Å; E216-R219 PolarHBondContact O-N 3.46Å; T217-R219 PolarHBondContact O-N 3.48Å; R219-D221 VanDerWaalsContact C-N 3.28Å; R219-D221 PolarHBondContact O-N 3.15Å
220V59.7Low72.2Confident41 Ų41100.3 Ų100.325%0.24849%0.486CS..  trans-70.389.2-179-156.50000108.1L218 V222L218-V220 HydrophobicContact CB-CG2 3.63Å; L218-V220 PolarHBondContact O-N 3.04Å; L218-V220 VanDerWaalsContact O-N 3.08Å; V220-V222 HydrophobicContact CB-CG2 4.08Å; V220-V222 HydrophobicContact CG1-CG2 3.5Å; V220-V222 PolarHBondContact O-N 3.17Å
221D58.9Low71.3Confident105 Ų10599.9 Ų99.956%0.56148%0.481SS*.  trans-81.160-178.1-159.42.3000109.6R219 L223 S224R219-D221 VanDerWaalsContact C-N 3.28Å; R219-D221 PolarHBondContact O-N 3.15Å; D221-L223 PolarHBondContact O-N 3.5Å; D221-S224 WeakPolarHBondContact O-CB 3.42Å; D221-S224 PolarHBondContact O-N 2.89Å; D221-S224 VanDerWaalsContact OD1-CB 3.3Å; D221-S224 WeakPolarHBondContact OD1-CB 3.44Å; D221-S224 WeakPolarHBondContact OD2-CB 3.47Å; D221-S224 PolarHBondContact OD2-OG 3.36Å
222V57.1Low70.8Confident68 Ų68106.7 Ų106.741%0.41251%0.512SS..THydrogen-bonded Turntrans-53.8-24.2-170.9-1800000112.7V220 F244V220-V222 HydrophobicContact CB-CG2 4.08Å; V220-V222 HydrophobicContact CG1-CG2 3.5Å; V220-V222 PolarHBondContact O-N 3.17Å; V222-F244 HydrophobicContact CG1-CE2 4.29Å; V222-F244 HydrophobicContact CG1-CZ 4.45Å; V222-F244 HydrophobicContact CG2-CE2 4.46Å
223L56Low70.8Confident160 Ų160106.2 Ų106.284%0.83851%0.513SS*.THydrogen-bonded Turntrans-102.6-1.1-174.7-58.1177.2000113.6D221 T225D221-L223 PolarHBondContact O-N 3.5Å; L223-T225 PolarHBondContact O-N 2.86Å
224S61.1Low70.7Confident26 Ų26110.5 Ų110.518%0.18253%0.532CS..  trans-91.898.3-172.4-176.20000112.9D221 E226 A227D221-S224 WeakPolarHBondContact O-CB 3.42Å; D221-S224 PolarHBondContact O-N 2.89Å; D221-S224 VanDerWaalsContact OD1-CB 3.3Å; D221-S224 WeakPolarHBondContact OD1-CB 3.44Å; D221-S224 WeakPolarHBondContact OD2-CB 3.47Å; D221-S224 PolarHBondContact OD2-OG 3.36Å; S224-E226 PolarHBondContact O-N 3.03Å; S224-E226 VanDerWaalsContact O-N 3.12Å; S224-A227 WeakPolarHBondContact O-CB 3.1Å; S224-A227 PolarHBondContact O-N 3.08Å
225T62.3Low70.7Confident111 Ų111108.6 Ų108.668%0.68153%0.533SS*.THydrogen-bonded Turntrans-62-11.7168.751.50000113.4L223L223-T225 PolarHBondContact O-N 2.86Å
226E63.9Low70.6Confident99 Ų99108.1 Ų108.146%0.46354%0.537SS..THydrogen-bonded Turntrans-75.8-26.9171.3-68.8-85.7106.600112.6S224 F228 K229S224-E226 PolarHBondContact O-N 3.03Å; S224-E226 VanDerWaalsContact O-N 3.12Å; E226-F228 PolarHBondContact O-N 2.81Å; E226-K229 WeakPolarHBondContact O-CB 3.48Å; E226-K229 PolarHBondContact O-N 2.99Å; E226-K229 WeakPolarHBondContact OE1-CE 3.1Å; E226-K229 IonicContact OE1-NZ 3.27Å; E226-K229 PolarHBondContact OE1-NZ 3.4Å
227A65.4Low70.6Confident16 Ų16102.7 Ų102.713%0.13252%0.516CS..THydrogen-bonded Turntrans-63.8-42.3179.800000111.7S224 K229 R230 F240S224-A227 WeakPolarHBondContact O-CB 3.1Å; S224-A227 PolarHBondContact O-N 3.08Å; A227-K229 PolarHBondContact O-N 3.05Å; A227-R230 WeakPolarHBondContact O-CB 3.43Å; A227-R230 PolarHBondContact O-N 3.37Å; A227-F240 HydrophobicContact CB-CE2 4.03Å; A227-F240 HydrophobicContact CB-CZ 3.92Å
228F65.8Low70.7Confident130 Ų130102.7 Ų102.757%0.5751%0.512SS*.G310 helixtrans-60.5-29.3176.5-69.7-81.3000113.4E226 R230 L231 F240E226-F228 PolarHBondContact O-N 2.81Å; F228-R230 PolarHBondContact O-N 3.42Å; F228-L231 PolarHBondContact O-N 3.44Å; F228-F240 HydrophobicContact CE1-CE1 4.12Å; F228-F240 HydrophobicContact CZ-CE1 4.27Å
229K71.4Confident71.3Confident148 Ų148104 Ų10464%0.64352%0.519SS*.G310 helixtrans-72.2-11175.9-57.6178.5-173.6171.20113.5E226 A227E226-K229 WeakPolarHBondContact O-CB 3.48Å; E226-K229 PolarHBondContact O-N 2.99Å; E226-K229 WeakPolarHBondContact OE1-CE 3.1Å; E226-K229 IonicContact OE1-NZ 3.27Å; E226-K229 PolarHBondContact OE1-NZ 3.4Å; A227-K229 PolarHBondContact O-N 3.05Å
230R65.1Low72.3Confident200 Ų20096.7 Ų96.776%0.75549%0.493SS*.G310 helixtrans-94.2-12.5-179.4-63.3-180175.7176.8-0.2113.4A227 F228 K232A227-R230 WeakPolarHBondContact O-CB 3.43Å; A227-R230 PolarHBondContact O-N 3.37Å; F228-R230 PolarHBondContact O-N 3.42Å; R230-K232 PolarHBondContact O-N 3.04Å
231L73.9Confident73.4Confident69 Ų6996.6 Ų96.636%0.36150%0.497SS..  trans-68.7111.8170.3-82.865.5000108.8F228 G237 F240F228-L231 PolarHBondContact O-N 3.44Å; L231-G237 VanDerWaalsContact CD2-CA 3.49Å; L231-F240 HydrophobicContact CD1-CB 4.16Å; L231-F240 HydrophobicContact CD1-CD1 3.92Å; L231-F240 HydrophobicContact CD1-CD2 4.48Å; L231-F240 HydrophobicContact CD1-CE1 4.47Å; L231-F240 HydrophobicContact CD1-CG 3.92Å; L231-F240 HydrophobicContact CD2-CD1 4.43Å
232K79.1Confident74.7Confident199 Ų19997.3 Ų97.387%0.86550%0.495SS*.  trans-107.6-18.9176.7-70.7-172.3175.7-1750113.6R230R230-K232 PolarHBondContact O-N 3.04Å
233D86.9Confident75.9Confident91 Ų9199.2 Ų99.249%0.48750%0.503SS..SBendtrans-144.3160.6-17274.3-72000111.6A235 G236 G237D233-A235 VanDerWaalsContact C-N 3.35Å; D233-A235 PolarHBondContact O-N 3.01Å; D233-A235 WeakPolarHBondContact OD2-CA 3.15Å; D233-A235 WeakPolarHBondContact OD2-CB 3.28Å; D233-A235 PolarHBondContact OD2-N 3.45Å; D233-G236 PolarHBondContact OD2-N 2.95Å; D233-G237 PolarHBondContact O-N 3.02Å
234K87Confident77.2Confident196 Ų19695.1 Ų95.185%0.85248%0.478SS*.Hα-helixtrans-68.3-30.3-175.8-171.1175.5-179.8-179.30113.2N238K234-N238 WeakPolarHBondContact O-CB 3.31Å; K234-N238 PolarHBondContact O-N 3.2Å; K234-N238 VanDerWaalsContact O-N 3.07Å
235A87.3Confident78.4Confident62 Ų62100.1 Ų100.151%0.51250%0.499SS..Hα-helixtrans-77.6-45.1-179.400000111D233 G237 N238 N239D233-A235 VanDerWaalsContact C-N 3.35Å; D233-A235 PolarHBondContact O-N 3.01Å; D233-A235 WeakPolarHBondContact OD2-CA 3.15Å; D233-A235 WeakPolarHBondContact OD2-CB 3.28Å; D233-A235 PolarHBondContact OD2-N 3.45Å; A235-G237 VanDerWaalsContact C-N 3.29Å; A235-G237 PolarHBondContact O-N 2.97Å; A235-N238 PolarHBondContact O-N 2.88Å; A235-N239 VanDerWaalsContact O-CG 3.31Å; A235-N239 PolarHBondContact O-N 3.46Å; A235-N239 PolarHBondContact O-ND2 3.29Å
236G82.1Confident79.5Confident26 Ų2698 Ų9827%0.26848%0.483SS..Hα-helixtrans-57.9-39.9170.500000112.5D233 N239 F240D233-G236 PolarHBondContact OD2-N 2.95Å; G236-N239 PolarHBondContact O-N 3.41Å; G236-F240 WeakPolarHBondContact O-CB 3.39Å; G236-F240 PolarHBondContact O-N 2.86Å
237G83.6Confident80.5Confident15 Ų1593.3 Ų93.316%0.15546%0.462CS..Hα-helixtrans-64.7-41173.700000114.2L231 D233 A235 F240 A241L231-G237 VanDerWaalsContact CD2-CA 3.49Å; D233-G237 PolarHBondContact O-N 3.02Å; A235-G237 VanDerWaalsContact C-N 3.29Å; A235-G237 PolarHBondContact O-N 2.97Å; G237-F240 PolarHBondContact O-N 2.95Å; G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.41Å
238N85.1Confident81.4Confident111 Ų11195.1 Ų95.159%0.59447%0.473SS*.Hα-helixtrans-68.5-38176.8-168.279.3000112.3K234 A235 A241 K242K234-N238 WeakPolarHBondContact O-CB 3.31Å; K234-N238 PolarHBondContact O-N 3.2Å; K234-N238 VanDerWaalsContact O-N 3.07Å; A235-N238 PolarHBondContact O-N 2.88Å; N238-A241 PolarHBondContact O-N 3.15Å; N238-K242 PolarHBondContact O-N 3.37Å; N238-K242 VanDerWaalsContact O-N 3.08Å
239N83.7Confident82.5Confident94 Ų9493.1 Ų93.150%0.50347%0.469SS..Hα-helixtrans-66-44.6174-68-20.3000111.3A235 G236 A241 K242 D243A235-N239 VanDerWaalsContact O-CG 3.31Å; A235-N239 PolarHBondContact O-N 3.46Å; A235-N239 PolarHBondContact O-ND2 3.29Å; G236-N239 PolarHBondContact O-N 3.41Å; N239-A241 PolarHBondContact O-N 2.93Å; N239-K242 PolarHBondContact O-N 2.86Å; N239-D243 WeakPolarHBondContact O-CB 3.5Å; N239-D243 PolarHBondContact O-N 3.42Å
240F82.3Confident83.3Confident63 Ų6389.8 Ų89.828%0.27645%0.454SS..Hα-helixtrans-61.2-41.6175.1177.5-96.9000112.5A227 F228 L231 G236 G237 K242 D243 F244A227-F240 HydrophobicContact CB-CE2 4.03Å; A227-F240 HydrophobicContact CB-CZ 3.92Å; F228-F240 HydrophobicContact CE1-CE1 4.12Å; F228-F240 HydrophobicContact CZ-CE1 4.27Å; L231-F240 HydrophobicContact CD1-CB 4.16Å; L231-F240 HydrophobicContact CD1-CD1 3.92Å; L231-F240 HydrophobicContact CD1-CD2 4.48Å; L231-F240 HydrophobicContact CD1-CE1 4.47Å; L231-F240 HydrophobicContact CD1-CG 3.92Å; L231-F240 HydrophobicContact CD2-CD1 4.43Å; G236-F240 WeakPolarHBondContact O-CB 3.39Å; G236-F240 PolarHBondContact O-N 2.86Å; G237-F240 PolarHBondContact O-N 2.95Å; F240-K242 VanDerWaalsContact C-N 3.34Å; F240-K242 PolarHBondContact O-N 3.4Å; F240-D243 PolarHBondContact O-N 2.98Å; F240-F244 WeakPolarHBondContact O-CB 3.46Å; F240-F244 PolarHBondContact O-N 3.47Å
241A84.1Confident84.4Confident40 Ų4083.7 Ų83.733%0.33144%0.436SS..Hα-helixtrans-59.9-45.4175.600000111.3G237 N238 N239 F244 E245G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.41Å; N238-A241 PolarHBondContact O-N 3.15Å; N239-A241 PolarHBondContact O-N 2.93Å; A241-F244 PolarHBondContact O-N 3.38Å; A241-E245 WeakPolarHBondContact O-CG 3.34Å; A241-E245 PolarHBondContact O-N 2.92Å
242K85.9Confident85.2Confident120 Ų12087.1 Ų87.152%0.52245%0.45SS..Hα-helixtrans-63.5-47.8175.9-172.3-175.4175.4-173.70112.7N238 N239 F240 F244 E245 D246N238-K242 PolarHBondContact O-N 3.37Å; N238-K242 VanDerWaalsContact O-N 3.08Å; N239-K242 PolarHBondContact O-N 2.86Å; F240-K242 VanDerWaalsContact C-N 3.34Å; F240-K242 PolarHBondContact O-N 3.4Å; K242-F244 PolarHBondContact O-N 3.35Å; K242-E245 PolarHBondContact O-N 2.94Å; K242-D246 WeakPolarHBondContact O-CB 3.5Å; K242-D246 PolarHBondContact O-N 3.48Å
243D82.1Confident85.8Confident107 Ų10782.6 Ų82.657%0.57243%0.432SS*.Hα-helixtrans-62.6-33.3178.6-69.9-20.3000111.6N239 F240 G247N239-D243 WeakPolarHBondContact O-CB 3.5Å; N239-D243 PolarHBondContact O-N 3.42Å; F240-D243 PolarHBondContact O-N 2.98Å; D243-G247 PolarHBondContact O-N 3.39Å
244F82.7Confident86Confident74 Ų7479.4 Ų79.433%0.32541%0.414SS..Hα-helixtrans-70.9-43174179.7-89.3000112.3V222 F240 A241 K242 G247 S248V222-F244 HydrophobicContact CG1-CE2 4.29Å; V222-F244 HydrophobicContact CG1-CZ 4.45Å; V222-F244 HydrophobicContact CG2-CE2 4.46Å; F240-F244 WeakPolarHBondContact O-CB 3.46Å; F240-F244 PolarHBondContact O-N 3.47Å; A241-F244 PolarHBondContact O-N 3.38Å; K242-F244 PolarHBondContact O-N 3.35Å; F244-G247 PolarHBondContact O-N 2.96Å; F244-S248 VanDerWaalsContact O-CB 3.24Å; F244-S248 WeakPolarHBondContact O-CB 3.39Å; F244-S248 PolarHBondContact O-N 3.21Å
245E86.4Confident86.3Confident131 Ų13173.2 Ų73.261%0.61239%0.393SS*.Hα-helixtrans-63.3-49174.2-75.6173.9-170.700111.4A241 K242 G247 S248 L249A241-E245 WeakPolarHBondContact O-CG 3.34Å; A241-E245 PolarHBondContact O-N 2.92Å; K242-E245 PolarHBondContact O-N 2.94Å; E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.43Å; E245-S248 PolarHBondContact O-N 3.08Å; E245-L249 WeakPolarHBondContact O-CB 3.41Å; E245-L249 PolarHBondContact O-N 3.14Å
246D85.6Confident86.6Confident66 Ų6673.4 Ų73.435%0.35339%0.39SS..Hα-helixtrans-60.4-37.1175.4-79.2-15.3000111.6K242 K250K242-D246 WeakPolarHBondContact O-CB 3.5Å; K242-D246 PolarHBondContact O-N 3.48Å; D246-K250 WeakPolarHBondContact O-CG 3.41Å; D246-K250 PolarHBondContact O-N 3.16Å
247G84.9Confident87.1Confident1 Ų173.3 Ų73.31%0.0138%0.382CS..Hα-helixtrans-70-41.2175.200000113.4D243 F244 E245 L251D243-G247 PolarHBondContact O-N 3.39Å; F244-G247 PolarHBondContact O-N 2.96Å; E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.43Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 3.32Å
248S85.1Confident87.5Confident54 Ų5475.5 Ų75.538%0.37839%0.39SS..Hα-helixtrans-66.3-44.1176.7-172.90000111.5F244 E245 K250 L251 Q252F244-S248 VanDerWaalsContact O-CB 3.24Å; F244-S248 WeakPolarHBondContact O-CB 3.39Å; F244-S248 PolarHBondContact O-N 3.21Å; E245-S248 PolarHBondContact O-N 3.08Å; S248-K250 PolarHBondContact O-N 2.87Å; S248-L251 WeakPolarHBondContact O-CB 3.19Å; S248-L251 PolarHBondContact O-N 3.03Å; S248-Q252 PolarHBondContact O-N 3.41Å
249L89.1Confident87.9Confident89 Ų8975.3 Ų75.347%0.46639%0.386SS..Hα-helixtrans-60-47176.7-176151.6000111.2E245 L251 Q252 E253E245-L249 WeakPolarHBondContact O-CB 3.41Å; E245-L249 PolarHBondContact O-N 3.14Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L249-L251 PolarHBondContact O-N 2.98Å; L249-Q252 WeakPolarHBondContact O-CB 3.32Å; L249-Q252 PolarHBondContact O-N 3.33Å; L249-Q252 VanDerWaalsContact O-N 3.16Å; L249-E253 HydrophobicContact CD2-CG 4.15Å; L249-E253 WeakPolarHBondContact CD2-OE1 3.49Å; L249-E253 WeakPolarHBondContact O-CG 3.41Å; L249-E253 PolarHBondContact O-N 2.9Å
250K87.4Confident88.3Confident78 Ų7877.3 Ų77.334%0.33939%0.39SS..Hα-helixtrans-66.5-32.7177.4-72171.6-172.3160.90113.2L218 D246 S248 F254L218-K250 HydrophobicContact CD1-CB 4.25Å; L218-K250 HydrophobicContact CD1-CD 3.45Å; L218-K250 VanDerWaalsContact CD1-CD 3.45Å; L218-K250 HydrophobicContact CD2-CD 4.44Å; D246-K250 WeakPolarHBondContact O-CG 3.41Å; D246-K250 PolarHBondContact O-N 3.16Å; S248-K250 PolarHBondContact O-N 2.87Å; K250-F254 WeakPolarHBondContact O-CB 3.47Å; K250-F254 PolarHBondContact O-N 3.4Å
251L88.8Confident88.6Confident71 Ų7176.2 Ų76.237%0.37239%0.386SS..Hα-helixtrans-65.9-42.6171.4178.961.5000111.1L215 G247 S248 L249 F254 V255L215-L251 HydrophobicContact CD2-CD1 3.64Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 3.32Å; S248-L251 WeakPolarHBondContact O-CB 3.19Å; S248-L251 PolarHBondContact O-N 3.03Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L249-L251 PolarHBondContact O-N 2.98Å; L251-F254 PolarHBondContact O-N 3.37Å; L251-V255 WeakPolarHBondContact O-CG2 3.43Å; L251-V255 PolarHBondContact O-N 2.93Å
252Q91.1Very high88.8Confident142 Ų14280.6 Ų80.666%0.66440%0.403SS*.Hα-helixtrans-63.5-42.8175.4-176.1177.3-8.400111.9S248 L249 V255 S256S248-Q252 PolarHBondContact O-N 3.41Å; L249-Q252 WeakPolarHBondContact O-CB 3.32Å; L249-Q252 PolarHBondContact O-N 3.33Å; L249-Q252 VanDerWaalsContact O-N 3.16Å; Q252-V255 PolarHBondContact O-N 2.85Å; Q252-S256 PolarHBondContact O-N 3.22Å
253E91.4Very high89.1Confident103 Ų10381.9 Ų81.948%0.48141%0.408SS..Hα-helixtrans-58.4-46.9172.1-73.7-178.9162.900111.7L249 S256 F257L249-E253 HydrophobicContact CD2-CG 4.15Å; L249-E253 WeakPolarHBondContact CD2-OE1 3.49Å; L249-E253 WeakPolarHBondContact O-CG 3.41Å; L249-E253 PolarHBondContact O-N 2.9Å; E253-S256 PolarHBondContact O-N 2.82Å; E253-S256 PolarHBondContact O-OG 3.07Å; E253-F257 WeakPolarHBondContact O-CB 3.4Å; E253-F257 PolarHBondContact O-N 3.23Å
254F91.1Very high89.4Confident24 Ų2479.4 Ų79.411%0.10540%0.397CS..Hα-helixtrans-62.2-43177.1-177.1-128.1000112.4E208 R211 E212 L215 K250 L251 S256 F257 L258E208-F254 HydrophobicContact CG-CE2 4.04Å; E208-F254 HydrophobicContact CG-CZ 4.29Å; R211-F254 HydrophobicContact CB-CD2 3.82Å; R211-F254 HydrophobicContact CB-CE2 4.09Å; R211-F254 HydrophobicContact CG-CB 4.29Å; R211-F254 HydrophobicContact CG-CD2 3.82Å; R211-F254 HydrophobicContact CG-CG 4.38Å; E212-F254 HydrophobicContact CB-CZ 4.2Å; L215-F254 HydrophobicContact CD1-CB 4.16Å; L215-F254 HydrophobicContact CD1-CG 4.49Å; L215-F254 HydrophobicContact CD2-CB 4.05Å; L215-F254 HydrophobicContact CD2-CD1 3.45Å; L215-F254 VanDerWaalsContact CD2-CD1 3.45Å; L215-F254 HydrophobicContact CD2-CE1 4.15Å; L215-F254 HydrophobicContact CD2-CG 4.01Å; K250-F254 WeakPolarHBondContact O-CB 3.47Å; K250-F254 PolarHBondContact O-N 3.4Å; L251-F254 PolarHBondContact O-N 3.37Å; F254-S256 PolarHBondContact O-N 3.34Å; F254-F257 HydrophobicContact CD2-CD1 4.47Å; F254-F257 WeakPolarHBondContact O-CB 3.39Å; F254-F257 PolarHBondContact O-N 3.05Å; F254-L258 HydrophobicContact CD1-CD1 4.09Å; F254-L258 HydrophobicContact CD2-CG 4.35Å; F254-L258 HydrophobicContact CE1-CD1 3.77Å; F254-L258 HydrophobicContact CE2-CD1 4.24Å; F254-L258 HydrophobicContact CE2-CD2 4.17Å; F254-L258 HydrophobicContact CE2-CG 4.12Å; F254-L258 HydrophobicContact CG-CD1 4.49Å; F254-L258 HydrophobicContact CZ-CD1 3.87Å; F254-L258 HydrophobicContact CZ-CD2 4.25Å; F254-L258 HydrophobicContact CZ-CG 4.22Å; F254-L258 WeakPolarHBondContact O-CG 3.44Å; F254-L258 PolarHBondContact O-N 2.71Å
255V91.7Very high89.6Confident67 Ų6776.6 Ų76.641%0.40639%0.389SS..Hα-helixtrans-60.6-45.5174170.90000110.9L251 Q252 F257 L258 E259L251-V255 WeakPolarHBondContact O-CG2 3.43Å; L251-V255 PolarHBondContact O-N 2.93Å; Q252-V255 PolarHBondContact O-N 2.85Å; V255-F257 VanDerWaalsContact C-N 3.27Å; V255-F257 PolarHBondContact O-N 3.3Å; V255-L258 PolarHBondContact O-N 3.5Å; V255-E259 HydrophobicContact CG1-CG 4.49Å; V255-E259 WeakPolarHBondContact O-CG 3.49Å; V255-E259 PolarHBondContact O-N 3.28Å
256S94.4Very high89.8Confident66 Ų6674.1 Ų74.146%0.46239%0.385SS..Hα-helixtrans-62.6-33.4177.8790000113.2Q252 E253 F254 K260Q252-S256 PolarHBondContact O-N 3.22Å; E253-S256 PolarHBondContact O-N 2.82Å; E253-S256 PolarHBondContact O-OG 3.07Å; F254-S256 PolarHBondContact O-N 3.34Å; S256-K260 WeakPolarHBondContact O-CB 3.15Å; S256-K260 PolarHBondContact O-N 2.94Å; S256-K260 VanDerWaalsContact O-N 3.07Å
257F93.6Very high89.9Confident23 Ų2374.3 Ų74.310%0.10139%0.389CS..Hα-helixtrans-68.3-46.8174.5170.5-89.6000111A204 E207 E208 R211 E253 F254 V255 E259 K260 E261A204-F257 HydrophobicContact CB-CZ 4.36Å; A204-F257 WeakPolarHBondContact O-CZ 3.47Å; E207-F257 HydrophobicContact CB-CE2 4.27Å; E207-F257 HydrophobicContact CB-CZ 3.96Å; E208-F257 HydrophobicContact CB-CE1 3.92Å; E208-F257 HydrophobicContact CG-CE1 4.37Å; R211-F257 VanDerWaalsContact NH1-CD1 3.29Å; R211-F257 VanDerWaalsContact NH1-CZ 3.35Å; E253-F257 WeakPolarHBondContact O-CB 3.4Å; E253-F257 PolarHBondContact O-N 3.23Å; F254-F257 HydrophobicContact CD2-CD1 4.47Å; F254-F257 WeakPolarHBondContact O-CB 3.39Å; F254-F257 PolarHBondContact O-N 3.05Å; V255-F257 VanDerWaalsContact C-N 3.27Å; V255-F257 PolarHBondContact O-N 3.3Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 2.77Å; F257-K260 WeakPolarHBondContact O-CB 3.47Å; F257-K260 PolarHBondContact O-N 3.11Å; F257-K260 VanDerWaalsContact O-N 3.09Å; F257-E261 HydrophobicContact CE1-CG 4.14Å; F257-E261 HydrophobicContact CE2-CG 4.36Å; F257-E261 HydrophobicContact CZ-CG 3.98Å; F257-E261 PolarHBondContact O-N 2.88Å
258L91.2Very high90.2Very high61 Ų6174.9 Ų74.932%0.31939%0.392SS..Hα-helixtrans-61.3-40175.3-68.6175.3000111.9E208 F254 V255 K260 E261 L262E208-L258 HydrophobicContact CG-CD2 3.87Å; F254-L258 HydrophobicContact CD1-CD1 4.09Å; F254-L258 HydrophobicContact CD2-CG 4.35Å; F254-L258 HydrophobicContact CE1-CD1 3.77Å; F254-L258 HydrophobicContact CE2-CD1 4.24Å; F254-L258 HydrophobicContact CE2-CD2 4.17Å; F254-L258 HydrophobicContact CE2-CG 4.12Å; F254-L258 HydrophobicContact CG-CD1 4.49Å; F254-L258 HydrophobicContact CZ-CD1 3.87Å; F254-L258 HydrophobicContact CZ-CD2 4.25Å; F254-L258 HydrophobicContact CZ-CG 4.22Å; F254-L258 WeakPolarHBondContact O-CG 3.44Å; F254-L258 PolarHBondContact O-N 2.71Å; V255-L258 PolarHBondContact O-N 3.5Å; L258-K260 VanDerWaalsContact C-N 3.28Å; L258-K260 PolarHBondContact O-N 2.79Å; L258-E261 PolarHBondContact O-N 3.17Å; L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 2.88Å
259E93.9Very high90.3Very high108 Ų10875.1 Ų75.151%0.50539%0.389SS..Hα-helixtrans-65.2-29.3174-74.6-172.1175.100113.5V255 F257 K263V255-E259 HydrophobicContact CG1-CG 4.49Å; V255-E259 WeakPolarHBondContact O-CG 3.49Å; V255-E259 PolarHBondContact O-N 3.28Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 2.77Å; E259-K263 VanDerWaalsContact O-CD 3.31Å; E259-K263 WeakPolarHBondContact O-CD 3.49Å; E259-K263 VanDerWaalsContact O-CE 3.27Å; E259-K263 WeakPolarHBondContact O-CE 3.5Å; E259-K263 WeakPolarHBondContact O-CG 3.45Å
260K91.8Very high90.4Very high135 Ų13577.1 Ų77.159%0.58740%0.396SS*.Hα-helixtrans-73.1-47.6174.2-176.1-174.7172.7-170.10110.6S256 F257 L258 L262 K263 T264S256-K260 WeakPolarHBondContact O-CB 3.15Å; S256-K260 PolarHBondContact O-N 2.94Å; S256-K260 VanDerWaalsContact O-N 3.07Å; F257-K260 WeakPolarHBondContact O-CB 3.47Å; F257-K260 PolarHBondContact O-N 3.11Å; F257-K260 VanDerWaalsContact O-N 3.09Å; L258-K260 VanDerWaalsContact C-N 3.28Å; L258-K260 PolarHBondContact O-N 2.79Å; K260-L262 VanDerWaalsContact C-N 3.32Å; K260-L262 PolarHBondContact O-N 3.45Å; K260-K263 WeakPolarHBondContact O-CB 3.32Å; K260-K263 PolarHBondContact O-N 2.94Å; K260-T264 PolarHBondContact O-N 3.12Å
261E88.8Confident90.5Very high41 Ų4174.1 Ų74.119%0.19239%0.386CS..Hα-helixtrans-67.5-31.1177.7-69.8-49.9120.600113A204 F257 L258 K263 T264 G265A204-E261 VanDerWaalsContact CB-CD 3.48Å; A204-E261 HydrophobicContact CB-CG 3.99Å; A204-E261 WeakPolarHBondContact CB-OE2 3.39Å; F257-E261 HydrophobicContact CE1-CG 4.14Å; F257-E261 HydrophobicContact CE2-CG 4.36Å; F257-E261 HydrophobicContact CZ-CG 3.98Å; F257-E261 PolarHBondContact O-N 2.88Å; L258-E261 PolarHBondContact O-N 3.17Å; E261-K263 PolarHBondContact O-N 3.34Å; E261-K263 VanDerWaalsContact O-N 3.11Å; E261-T264 WeakPolarHBondContact CA-OG1 3.35Å; E261-T264 PolarHBondContact O-N 2.91Å; E261-T264 PolarHBondContact O-OG1 2.88Å; E261-T264 PolarHBondContact OE2-OG1 2.95Å; E261-G265 PolarHBondContact O-N 2.97Å; E261-G265 VanDerWaalsContact O-N 3.16Å
262L88.9Confident90.6Very high131 Ų13173.6 Ų73.669%0.68638%0.383SS*.Hα-helixtrans-60.1-24170.7-169.764.2000112.7L258 K260 P266L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 2.88Å; K260-L262 VanDerWaalsContact C-N 3.32Å; K260-L262 PolarHBondContact O-N 3.45Å; L262-P266 VanDerWaalsContact O-CD 3.3Å; L262-P266 WeakPolarHBondContact O-CD 3.39Å
263K91.2Very high90.5Very high147 Ų14767.9 Ų67.964%0.63936%0.362SS*.Hα-helixtrans-87.1-22.5175.6-62.5160.6-169.7161.50113E259 K260 E261 P267E259-K263 VanDerWaalsContact O-CD 3.31Å; E259-K263 WeakPolarHBondContact O-CD 3.49Å; E259-K263 VanDerWaalsContact O-CE 3.27Å; E259-K263 WeakPolarHBondContact O-CE 3.5Å; E259-K263 WeakPolarHBondContact O-CG 3.45Å; K260-K263 WeakPolarHBondContact O-CB 3.32Å; K260-K263 PolarHBondContact O-N 2.94Å; E261-K263 PolarHBondContact O-N 3.34Å; E261-K263 VanDerWaalsContact O-N 3.11Å; K263-P267 WeakPolarHBondContact O-CD 3.17Å
264T88.6Confident90.4Very high55 Ų5565 Ų6534%0.33735%0.35SS..Hα-helixtrans-81.1-26.917664.60000112.2K260 E261 P267 L268K260-T264 PolarHBondContact O-N 3.12Å; E261-T264 WeakPolarHBondContact CA-OG1 3.35Å; E261-T264 PolarHBondContact O-N 2.91Å; E261-T264 PolarHBondContact O-OG1 2.88Å; E261-T264 PolarHBondContact OE2-OG1 2.95Å; T264-P267 WeakPolarHBondContact O-CD 3.34Å; T264-L268 PolarHBondContact O-N 3.46Å
265G86.8Confident90.4Very high16 Ų1664.1 Ų64.117%0.16535%0.347CS..Hα-helixtrans-57.8-48.7179.300000116.3E261 L268 L269E261-G265 PolarHBondContact O-N 2.97Å; E261-G265 VanDerWaalsContact O-N 3.16Å; G265-L268 PolarHBondContact O-N 3.03Å; G265-L269 WeakPolarHBondContact O-CG 3.36Å; G265-L269 PolarHBondContact O-N 3.22Å
266P89.8Confident90.3Very high79 Ų7965.6 Ų65.651%0.51335%0.353SS..Hα-helixtrans-63.3-46.1-176.5-20.330.7000114.5L262 L268 L269 E270L262-P266 VanDerWaalsContact O-CD 3.3Å; L262-P266 WeakPolarHBondContact O-CD 3.39Å; P266-L268 VanDerWaalsContact C-N 3.33Å; P266-L268 PolarHBondContact O-N 2.84Å; P266-L269 PolarHBondContact O-N 3.18Å; P266-E270 PolarHBondContact O-N 2.74Å
267P88.5Confident90.1Very high69 Ų6964.8 Ų64.845%0.44834%0.343SS..Hα-helixtrans-58.1-41.2172.5-26.135.3000113.3K263 T264 L269 E270 A271K263-P267 WeakPolarHBondContact O-CD 3.17Å; T264-P267 WeakPolarHBondContact O-CD 3.34Å; P267-L269 PolarHBondContact O-N 3.32Å; P267-E270 PolarHBondContact O-N 3.33Å; P267-A271 WeakPolarHBondContact O-CB 3.32Å; P267-A271 PolarHBondContact O-N 3.03Å
268L90.4Very high90Very high14 Ų1465.3 Ų65.37%0.07335%0.345CS..Hα-helixtrans-65-39.1176.5174.361000112.1L194 Q197 L198 H201 T264 G265 P266 E270 A271 L272L194-L268 HydrophobicContact CD1-CD1 4.32Å; Q197-L268 HydrophobicContact CB-CD1 3.95Å; L198-L268 HydrophobicContact CD2-CD1 3.9Å; L198-L268 HydrophobicContact CG-CD1 4.09Å; H201-L268 HydrophobicContact CB-CD2 3.67Å; H201-L268 VanDerWaalsContact CD2-CD2 3.48Å; H201-L268 WeakPolarHBondContact CD2-CD2 3.46Å; T264-L268 PolarHBondContact O-N 3.46Å; G265-L268 PolarHBondContact O-N 3.03Å; P266-L268 VanDerWaalsContact C-N 3.33Å; P266-L268 PolarHBondContact O-N 2.84Å; L268-E270 VanDerWaalsContact C-N 3.31Å; L268-E270 PolarHBondContact O-N 2.8Å; L268-A271 PolarHBondContact O-N 3.34Å; L268-L272 HydrophobicContact CD1-CD1 4.14Å; L268-L272 HydrophobicContact CD1-CG 4.2Å; L268-L272 HydrophobicContact CG-CD1 4.08Å; L268-L272 VanDerWaalsContact O-CB 3.32Å; L268-L272 WeakPolarHBondContact O-CB 3.13Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.08Å; L268-L272 PolarHBondContact O-N 3.48Å
269L88.9Confident90.1Very high59 Ų5968 Ų6831%0.30935%0.352SS..Hα-helixtrans-65.7-33.4176.6-75.9171.1000112.9K154 V157 G265 P266 P267 G273K154-L269 HydrophobicContact CG-CD2 4.12Å; K154-L269 PolarHBondContact NZ-O 2.87Å; V157-L269 HydrophobicContact CG1-CD1 4.11Å; G265-L269 WeakPolarHBondContact O-CG 3.36Å; G265-L269 PolarHBondContact O-N 3.22Å; P266-L269 PolarHBondContact O-N 3.18Å; P267-L269 PolarHBondContact O-N 3.32Å; L269-G273 PolarHBondContact O-N 3.39Å; L269-G273 VanDerWaalsContact O-N 3.09Å
270E89.3Confident90Very high130 Ų13067.4 Ų67.461%0.60735%0.349SS*.Hα-helixtrans-69.6-50.5171.8-179.3171.6-171.700111.2P266 P267 L268 L272 G273 N274P266-E270 PolarHBondContact O-N 2.74Å; P267-E270 PolarHBondContact O-N 3.33Å; L268-E270 VanDerWaalsContact C-N 3.31Å; L268-E270 PolarHBondContact O-N 2.8Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.16Å; E270-G273 CarbonylContact O-C 3.55Å; E270-G273 WeakPolarHBondContact O-CA 3.44Å; E270-G273 PolarHBondContact O-N 2.76Å; E270-N274 PolarHBondContact O-N 3.02Å
271A89.5Confident89.8Confident16 Ų1663.5 Ų63.513%0.13233%0.333CS..Hα-helixtrans-55.6-41.9175.100000112L194 P267 L268 G273 N274 A275L194-A271 HydrophobicContact CD1-CB 3.89Å; P267-A271 WeakPolarHBondContact O-CB 3.32Å; P267-A271 PolarHBondContact O-N 3.03Å; L268-A271 PolarHBondContact O-N 3.34Å; A271-G273 VanDerWaalsContact C-N 3.31Å; A271-G273 PolarHBondContact O-N 3.25Å; A271-N274 PolarHBondContact O-N 3.43Å; A271-A275 WeakPolarHBondContact O-CB 3.48Å; A271-A275 PolarHBondContact O-N 3.43Å
272L91.2Very high89.9Confident60 Ų6065 Ų6531%0.31434%0.34SS..Hα-helixtrans-66.8-26.5172-77.1168.8000113.9L194 L198 L268 E270 D276L194-L272 HydrophobicContact CD1-CD2 3.99Å; L194-L272 HydrophobicContact CD1-CG 4.07Å; L198-L272 HydrophobicContact CD1-CD2 4.43Å; L198-L272 HydrophobicContact CD2-CD1 4.41Å; L198-L272 HydrophobicContact CD2-CD2 4.27Å; L268-L272 HydrophobicContact CD1-CD1 4.14Å; L268-L272 HydrophobicContact CD1-CG 4.2Å; L268-L272 HydrophobicContact CG-CD1 4.08Å; L268-L272 VanDerWaalsContact O-CB 3.32Å; L268-L272 WeakPolarHBondContact O-CB 3.13Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.08Å; L268-L272 PolarHBondContact O-N 3.48Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.16Å; L272-D276 PolarHBondContact O-N 2.86Å
273G89.3Confident90.1Very high21 Ų2165.5 Ų65.522%0.21633%0.334CS..Hα-helixtrans-74.7-40.5172.200000112L269 E270 A271 D276 I277L269-G273 PolarHBondContact O-N 3.39Å; L269-G273 VanDerWaalsContact O-N 3.09Å; E270-G273 CarbonylContact O-C 3.55Å; E270-G273 WeakPolarHBondContact O-CA 3.44Å; E270-G273 PolarHBondContact O-N 2.76Å; A271-G273 VanDerWaalsContact C-N 3.31Å; A271-G273 PolarHBondContact O-N 3.25Å; G273-D276 PolarHBondContact O-N 3.42Å; G273-I277 WeakPolarHBondContact O-CG1 3.43Å; G273-I277 PolarHBondContact O-N 3.25Å
274N89.3Confident90.2Very high42 Ų4263.5 Ų63.523%0.22533%0.325CS..Hα-helixtrans-65.4-40.3175.8-68.1-11.7000111.1I185 F189 E270 A271 I277 F278I185-N274 HydrophobicContact CG2-CB 3.67Å; F189-N274 HydrophobicContact CD2-CB 4.15Å; E270-N274 PolarHBondContact O-N 3.02Å; A271-N274 PolarHBondContact O-N 3.43Å; N274-I277 PolarHBondContact O-N 2.55Å; N274-F278 WeakPolarHBondContact O-CB 3.3Å; N274-F278 PolarHBondContact O-N 2.94Å
275A91.4Very high90.3Very high6 Ų665.1 Ų65.15%0.0533%0.329CS..Hα-helixtrans-59.3-45.4172.800000113.2F189 L194 A271 I277 F278 Y279F189-A275 HydrophobicContact CE2-CB 3.58Å; F189-A275 HydrophobicContact CZ-CB 3.52Å; L194-A275 HydrophobicContact CD2-CB 3.56Å; A271-A275 WeakPolarHBondContact O-CB 3.48Å; A271-A275 PolarHBondContact O-N 3.43Å; A275-I277 VanDerWaalsContact C-N 3.29Å; A275-I277 PolarHBondContact O-N 2.74Å; A275-F278 PolarHBondContact O-N 3.49Å; A275-Y279 HydrophobicContact CB-CD2 4.32Å; A275-Y279 HydrophobicContact CB-CE2 4.32Å; A275-Y279 WeakPolarHBondContact O-CD2 3.5Å; A275-Y279 PolarHBondContact O-N 3.08Å
276D89.9Confident90.7Very high99 Ų9968.7 Ų68.753%0.52935%0.347SS..Hα-helixtrans-60.1-41.2177.9-167.561.7000110.7L272 G273 E280L272-D276 PolarHBondContact O-N 2.86Å; G273-D276 PolarHBondContact O-N 3.42Å; D276-E280 WeakPolarHBondContact O-CB 3.44Å; D276-E280 WeakPolarHBondContact O-CG 3.47Å; D276-E280 PolarHBondContact O-N 3.46Å; D276-E280 VanDerWaalsContact O-N 3.07Å
277I89.3Confident91Very high48 Ų4871 Ų7125%0.24635%0.35CS..Hα-helixtrans-64.9-45174.4-65.6166.3000111.6K182 I185 V186 G273 N274 A275 M281K182-I277 HydrophobicContact CB-CG2 4.07Å; K182-I277 HydrophobicContact CD-CG2 4.47Å; K182-I277 HydrophobicContact CG-CG2 3.97Å; I185-I277 HydrophobicContact CD1-CD1 3.86Å; I185-I277 HydrophobicContact CG2-CB 4.27Å; I185-I277 HydrophobicContact CG2-CD1 4.46Å; I185-I277 HydrophobicContact CG2-CG2 4.18Å; V186-I277 HydrophobicContact CG2-CG2 4.4Å; G273-I277 WeakPolarHBondContact O-CG1 3.43Å; G273-I277 PolarHBondContact O-N 3.25Å; N274-I277 PolarHBondContact O-N 2.55Å; A275-I277 VanDerWaalsContact C-N 3.29Å; A275-I277 PolarHBondContact O-N 2.74Å; I277-M281 PolarHBondContact O-N 3.28Å; I277-M281 VanDerWaalsContact O-N 3.08Å
278F92.1Very high91.3Very high34 Ų3473.6 Ų73.615%0.14936%0.358CS..Hα-helixtrans-62.1-56.1-179.6178.7-93.5000112V186 F189 N274 A275 E280 M281 Q282V186-F278 HydrophobicContact CB-CD2 4.35Å; V186-F278 HydrophobicContact CG1-CD2 3.98Å; V186-F278 HydrophobicContact CG1-CE2 4.23Å; V186-F278 HydrophobicContact CG2-CD2 4.38Å; F189-F278 HydrophobicContact CB-CB 4.4Å; F189-F278 HydrophobicContact CB-CD2 4.02Å; F189-F278 HydrophobicContact CB-CG 4.34Å; F189-F278 HydrophobicContact CD1-CB 3.72Å; F189-F278 AromaticContact CD1-CD1 3.56Å; F189-F278 HydrophobicContact CD1-CD1 3.56Å; F189-F278 AromaticContact CD1-CD2 3.67Å; F189-F278 HydrophobicContact CD1-CD2 3.67Å; F189-F278 HydrophobicContact CD1-CE1 4.05Å; F189-F278 HydrophobicContact CD1-CE2 4.16Å; F189-F278 AromaticContact CD1-CG 3.35Å; F189-F278 HydrophobicContact CD1-CG 3.35Å; F189-F278 HydrophobicContact CD1-CZ 4.33Å; F189-F278 HydrophobicContact CE1-CB 4.17Å; F189-F278 AromaticContact CE1-CD1 3.69Å; F189-F278 HydrophobicContact CE1-CD1 3.69Å; F189-F278 HydrophobicContact CE1-CE1 4.23Å; F189-F278 AromaticContact CE1-CG 3.91Å; F189-F278 HydrophobicContact CE1-CG 3.91Å; F189-F278 HydrophobicContact CG-CB 4.03Å; F189-F278 HydrophobicContact CG-CD2 4.2Å; F189-F278 HydrophobicContact CG-CG 4.05Å; N274-F278 WeakPolarHBondContact O-CB 3.3Å; N274-F278 PolarHBondContact O-N 2.94Å; A275-F278 PolarHBondContact O-N 3.49Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.49Å; F278-M281 WeakPolarHBondContact O-CB 3.49Å; F278-M281 PolarHBondContact O-N 3.45Å; F278-Q282 HydrophobicContact CD1-CG 4.2Å; F278-Q282 HydrophobicContact CE1-CG 3.82Å; F278-Q282 HydrophobicContact CE2-CG 4.36Å; F278-Q282 HydrophobicContact CZ-CG 3.9Å; F278-Q282 WeakPolarHBondContact O-CG 3.39Å; F278-Q282 PolarHBondContact O-N 3.45Å
279Y92.8Very high91.6Very high117 Ų11776.7 Ų76.746%0.45938%0.377SS..Hα-helixtrans-68.1-31.7-178.1-68.6-62.8000112.7F189 A275 M281 Y283F189-Y279 HydrophobicContact CE1-CE2 4.15Å; F189-Y279 HydrophobicContact CZ-CE2 4.28Å; A275-Y279 HydrophobicContact CB-CD2 4.32Å; A275-Y279 HydrophobicContact CB-CE2 4.32Å; A275-Y279 WeakPolarHBondContact O-CD2 3.5Å; A275-Y279 PolarHBondContact O-N 3.08Å; Y279-M281 VanDerWaalsContact C-N 3.3Å; Y279-M281 PolarHBondContact O-N 2.93Å; Y279-Y283 VanDerWaalsContact O-CB 3.25Å; Y279-Y283 WeakPolarHBondContact O-CB 3.42Å; Y279-Y283 PolarHBondContact O-N 2.95Å
280E91.4Very high92Very high97 Ų9776 Ų7645%0.45338%0.38SS..Hα-helixtrans-66.8-28.2170-87-79.2149.500113.2D276 F278 K284D276-E280 WeakPolarHBondContact O-CB 3.44Å; D276-E280 WeakPolarHBondContact O-CG 3.47Å; D276-E280 PolarHBondContact O-N 3.46Å; D276-E280 VanDerWaalsContact O-N 3.07Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.49Å; E280-K284 VanDerWaalsContact O-CG 3.3Å; E280-K284 WeakPolarHBondContact O-CG 3.4Å; E280-K284 PolarHBondContact O-NZ 2.88Å; E280-K284 IonicContact OE2-NZ 3.96Å; E280-K284 PolarHBondContact OE2-NZ 2.94Å
281M89.4Confident92.3Very high52 Ų5275.3 Ų75.326%0.25638%0.381SS..Hα-helixtrans-76.4-52.1174.6-170.2168.9-63.600110.5K182 V186 I277 F278 Y279 Y283 K284 E285K182-M281 HydrophobicContact CB-CE 4.3Å; V186-M281 HydrophobicContact CB-SD 4.34Å; V186-M281 HydrophobicContact CG1-SD 4.14Å; V186-M281 HydrophobicContact CG2-CB 4.36Å; V186-M281 HydrophobicContact CG2-CE 3.9Å; V186-M281 HydrophobicContact CG2-SD 3.74Å; I277-M281 PolarHBondContact O-N 3.28Å; I277-M281 VanDerWaalsContact O-N 3.08Å; F278-M281 WeakPolarHBondContact O-CB 3.49Å; F278-M281 PolarHBondContact O-N 3.45Å; Y279-M281 VanDerWaalsContact C-N 3.3Å; Y279-M281 PolarHBondContact O-N 2.93Å; M281-Y283 VanDerWaalsContact C-N 3.29Å; M281-Y283 PolarHBondContact O-N 3.35Å; M281-K284 WeakPolarHBondContact O-CA 3.27Å; M281-K284 WeakPolarHBondContact O-CB 3.18Å; M281-K284 PolarHBondContact O-N 3.43Å; M281-E285 PolarHBondContact O-N 3.22Å; M281-E285 VanDerWaalsContact O-N 3.1Å
282Q90.7Very high92.7Very high72 Ų7277.3 Ų77.334%0.33640%0.397SS..Hα-helixtrans-53.3-44.2176.2-72-64.7-64.800112.2F278 K284 E285 V286F278-Q282 HydrophobicContact CD1-CG 4.2Å; F278-Q282 HydrophobicContact CE1-CG 3.82Å; F278-Q282 HydrophobicContact CE2-CG 4.36Å; F278-Q282 HydrophobicContact CZ-CG 3.9Å; F278-Q282 WeakPolarHBondContact O-CG 3.39Å; F278-Q282 PolarHBondContact O-N 3.45Å; Q282-K284 VanDerWaalsContact C-N 3.28Å; Q282-K284 PolarHBondContact O-N 3.08Å; Q282-E285 PolarHBondContact NE2-OE2 2.83Å; Q282-E285 PolarHBondContact O-N 2.81Å; Q282-V286 WeakPolarHBondContact O-CB 3.47Å; Q282-V286 WeakPolarHBondContact O-CG2 3.41Å; Q282-V286 PolarHBondContact O-N 2.98Å
283Y91.8Very high93Very high143 Ų14382.3 Ų82.356%0.56141%0.413SS*.Hα-helixtrans-61.1-33.7176.2179-105.4000113.4Y279 M281 K287Y279-Y283 VanDerWaalsContact O-CB 3.25Å; Y279-Y283 WeakPolarHBondContact O-CB 3.42Å; Y279-Y283 PolarHBondContact O-N 2.95Å; M281-Y283 VanDerWaalsContact C-N 3.29Å; M281-Y283 PolarHBondContact O-N 3.35Å; Y283-K287 WeakPolarHBondContact O-CB 3.3Å; Y283-K287 PolarHBondContact O-N 3.47Å
284K93.1Very high93.4Very high104 Ų10485.9 Ų85.945%0.45243%0.427SS..Hα-helixtrans-72.7-40.8177.3-69.8175.7-170.780.30111.6E280 M281 Q282 K287 I288E280-K284 VanDerWaalsContact O-CG 3.3Å; E280-K284 WeakPolarHBondContact O-CG 3.4Å; E280-K284 PolarHBondContact O-NZ 2.88Å; E280-K284 IonicContact OE2-NZ 3.96Å; E280-K284 PolarHBondContact OE2-NZ 2.94Å; M281-K284 WeakPolarHBondContact O-CA 3.27Å; M281-K284 WeakPolarHBondContact O-CB 3.18Å; M281-K284 PolarHBondContact O-N 3.43Å; Q282-K284 VanDerWaalsContact C-N 3.28Å; Q282-K284 PolarHBondContact O-N 3.08Å; K284-K287 PolarHBondContact O-N 2.89Å; K284-I288 VanDerWaalsContact O-CG1 3.31Å; K284-I288 WeakPolarHBondContact O-CG1 3.49Å; K284-I288 PolarHBondContact O-N 2.84Å
285E91.5Very high93.8Very high90 Ų9086.7 Ų86.742%0.42144%0.44SS..Hα-helixtrans-62.2-52.5175.2-69.2168.4-177.400110.7M281 Q282 K287 I288 V289M281-E285 PolarHBondContact O-N 3.22Å; M281-E285 VanDerWaalsContact O-N 3.1Å; Q282-E285 PolarHBondContact NE2-OE2 2.83Å; Q282-E285 PolarHBondContact O-N 2.81Å; E285-K287 VanDerWaalsContact C-N 3.26Å; E285-K287 PolarHBondContact O-N 3.31Å; E285-I288 WeakPolarHBondContact O-CB 3.42Å; E285-I288 PolarHBondContact O-N 2.76Å; E285-V289 WeakPolarHBondContact O-CG2 3.38Å; E285-V289 PolarHBondContact O-N 3.4Å
286V96.1Very high94Very high90 Ų9092.6 Ų92.655%0.54547%0.465SS..Hα-helixtrans-56.7-39.6175172.70000111.5Q282 V289 A290Q282-V286 WeakPolarHBondContact O-CB 3.47Å; Q282-V286 WeakPolarHBondContact O-CG2 3.41Å; Q282-V286 PolarHBondContact O-N 2.98Å; V286-V289 PolarHBondContact O-N 3.02Å; V286-A290 VanDerWaalsContact O-CB 3.26Å; V286-A290 WeakPolarHBondContact O-CB 3.39Å; V286-A290 PolarHBondContact O-N 3.2Å
287K95.5Very high94.4Very high129 Ų12989.9 Ų89.956%0.56146%0.456SS*.Hα-helixtrans-65.4-37.2176.5-178.2172.5179.5174.80113Y283 K284 E285 N291Y283-K287 WeakPolarHBondContact O-CB 3.3Å; Y283-K287 PolarHBondContact O-N 3.47Å; K284-K287 PolarHBondContact O-N 2.89Å; E285-K287 VanDerWaalsContact C-N 3.26Å; E285-K287 PolarHBondContact O-N 3.31Å; K287-N291 VanDerWaalsContact O-CB 3.29Å; K287-N291 WeakPolarHBondContact O-CB 3.34Å; K287-N291 PolarHBondContact O-N 3.32Å
288I95.4Very high94.8Very high123 Ų12392.8 Ų92.863%0.63147%0.472SS*.Hα-helixtrans-65.4-47.8174.8-68.5161.2000109.7K284 E285 N291 A292K284-I288 VanDerWaalsContact O-CG1 3.31Å; K284-I288 WeakPolarHBondContact O-CG1 3.49Å; K284-I288 PolarHBondContact O-N 2.84Å; E285-I288 WeakPolarHBondContact O-CB 3.42Å; E285-I288 PolarHBondContact O-N 2.76Å; I288-N291 PolarHBondContact O-N 2.93Å; I288-A292 PolarHBondContact O-N 3.36Å
289V96.9Very high95Very high78 Ų78100.9 Ų100.947%0.47350%0.502SS..Hα-helixtrans-60.5-49.8178.4174.10000111.1E285 V286 N291 A292 Y293E285-V289 WeakPolarHBondContact O-CG2 3.38Å; E285-V289 PolarHBondContact O-N 3.4Å; V286-V289 PolarHBondContact O-N 3.02Å; V289-N291 VanDerWaalsContact C-N 3.28Å; V289-N291 PolarHBondContact O-N 3.07Å; V289-A292 WeakPolarHBondContact O-CB 3.26Å; V289-A292 PolarHBondContact O-N 2.96Å; V289-A292 VanDerWaalsContact O-N 3.09Å; V289-Y293 HydrophobicContact CG1-CD2 3.71Å; V289-Y293 HydrophobicContact CG1-CE2 3.61Å; V289-Y293 WeakPolarHBondContact O-CD2 3.02Å; V289-Y293 PolarHBondContact O-N 3.47Å
290A96.2Very high95.2Very high44 Ų4498.6 Ų98.636%0.36450%0.5SS..Hα-helixtrans-60.5-36.2177.200000112.5V286 N294V286-A290 VanDerWaalsContact O-CB 3.26Å; V286-A290 WeakPolarHBondContact O-CB 3.39Å; V286-A290 PolarHBondContact O-N 3.2Å; A290-N294 WeakPolarHBondContact O-CB 3.1Å; A290-N294 PolarHBondContact O-N 3.27Å; A290-N294 PolarHBondContact O-ND2 3.16Å
291N96.6Very high95.5Very high116 Ų11698.2 Ų98.262%0.6250%0.5SS*.Hα-helixtrans-68.2-37.7174.8-171.866.3000112.2K287 I288 V289 N294 A295K287-N291 VanDerWaalsContact O-CB 3.29Å; K287-N291 WeakPolarHBondContact O-CB 3.34Å; K287-N291 PolarHBondContact O-N 3.32Å; I288-N291 PolarHBondContact O-N 2.93Å; V289-N291 VanDerWaalsContact C-N 3.28Å; V289-N291 PolarHBondContact O-N 3.07Å; N291-N294 PolarHBondContact O-N 3.27Å; N291-A295 WeakPolarHBondContact O-CB 3.44Å; N291-A295 PolarHBondContact O-N 3.35Å
292A96.7Very high95.9Very high58 Ų5897.3 Ų97.348%0.47950%0.504SS..Hα-helixtrans-64.4-44.7173.900000111.8I288 V289 N294 A295 F296I288-A292 PolarHBondContact O-N 3.36Å; V289-A292 WeakPolarHBondContact O-CB 3.26Å; V289-A292 PolarHBondContact O-N 2.96Å; V289-A292 VanDerWaalsContact O-N 3.09Å; A292-N294 PolarHBondContact O-N 3.33Å; A292-A295 PolarHBondContact O-N 3.03Å; A292-F296 PolarHBondContact O-N 2.82Å
293Y97.9Very high96.2Very high165 Ų16599.6 Ų99.665%0.64752%0.518SS*.Hα-helixtrans-63.2-39.1174.1-82.4-72.7000112.8V289 F296 A297V289-Y293 HydrophobicContact CG1-CD2 3.71Å; V289-Y293 HydrophobicContact CG1-CE2 3.61Å; V289-Y293 WeakPolarHBondContact O-CD2 3.02Å; V289-Y293 PolarHBondContact O-N 3.47Å; Y293-F296 PolarHBondContact O-N 3.37Å; Y293-A297 WeakPolarHBondContact O-CB 3.28Å; Y293-A297 PolarHBondContact O-N 3.45Å
294N97.2Very high96.4Very high96 Ų9698.6 Ų98.651%0.51352%0.517SS..Hα-helixtrans-63.4-42.4173-86.5-82.7000112.1A290 N291 A292 F296 A297 N298A290-N294 WeakPolarHBondContact O-CB 3.1Å; A290-N294 PolarHBondContact O-N 3.27Å; A290-N294 PolarHBondContact O-ND2 3.16Å; N291-N294 PolarHBondContact O-N 3.27Å; A292-N294 PolarHBondContact O-N 3.33Å; N294-F296 VanDerWaalsContact C-N 3.33Å; N294-F296 PolarHBondContact O-N 3.38Å; N294-A297 PolarHBondContact O-N 3.39Å; N294-N298 WeakPolarHBondContact O-CB 3.32Å; N294-N298 VanDerWaalsContact O-CG 3.25Å; N294-N298 PolarHBondContact O-N 3.22Å; N294-N298 PolarHBondContact O-ND2 3.33Å; N294-N298 VanDerWaalsContact O-ND2 3.15Å
295A97.1Very high96.5Very high59 Ų59100.9 Ų100.949%0.48853%0.527SS..Hα-helixtrans-63.1-39.6175.400000112.1N291 A292 R299N291-A295 WeakPolarHBondContact O-CB 3.44Å; N291-A295 PolarHBondContact O-N 3.35Å; A292-A295 PolarHBondContact O-N 3.03Å; A295-R299 PolarHBondContact O-N 2.9Å; A295-R299 VanDerWaalsContact O-N 3.07Å
296F97.5Very high96.7Very high131 Ų131104 Ų10458%0.57554%0.539SS*.Hα-helixtrans-64.3-49.6173.6179.2-102.1000111.9A292 Y293 N294 N298 R299 V300A292-F296 PolarHBondContact O-N 2.82Å; Y293-F296 PolarHBondContact O-N 3.37Å; N294-F296 VanDerWaalsContact C-N 3.33Å; N294-F296 PolarHBondContact O-N 3.38Å; F296-N298 VanDerWaalsContact C-N 3.29Å; F296-N298 PolarHBondContact O-N 2.92Å; F296-R299 CarbonylContact O-C 3.6Å; F296-R299 WeakPolarHBondContact O-CA 3.39Å; F296-R299 WeakPolarHBondContact O-CB 3.4Å; F296-R299 PolarHBondContact O-N 3.1Å; F296-V300 HydrophobicContact CD1-CG2 4.1Å; F296-V300 HydrophobicContact CD2-CG2 4.48Å; F296-V300 HydrophobicContact CE1-CG2 3.65Å; F296-V300 HydrophobicContact CE2-CG2 4.07Å; F296-V300 HydrophobicContact CZ-CG2 3.62Å; F296-V300 WeakPolarHBondContact O-CG2 3.35Å; F296-V300 PolarHBondContact O-N 2.97Å
297A97.2Very high96.6Very high42 Ų42103.9 Ų103.935%0.34754%0.535SS..Hα-helixtrans-57.9-40.717700000112.1Y293 N294 R299 V300 N301Y293-A297 WeakPolarHBondContact O-CB 3.28Å; Y293-A297 PolarHBondContact O-N 3.45Å; N294-A297 PolarHBondContact O-N 3.39Å; A297-R299 VanDerWaalsContact C-N 3.34Å; A297-R299 PolarHBondContact O-N 3.47Å; A297-V300 PolarHBondContact O-N 2.88Å; A297-N301 WeakPolarHBondContact O-CB 2.99Å; A297-N301 PolarHBondContact O-N 3.36Å; A297-N301 PolarHBondContact O-ND2 3.18Å
298N97.3Very high96.6Very high108 Ų108101 Ų10158%0.57853%0.526SS*.Hα-helixtrans-63.3-37.4173.5-74.3-30.7000112.6N294 F296 G302N294-N298 WeakPolarHBondContact O-CB 3.32Å; N294-N298 VanDerWaalsContact O-CG 3.25Å; N294-N298 PolarHBondContact O-N 3.22Å; N294-N298 PolarHBondContact O-ND2 3.33Å; N294-N298 VanDerWaalsContact O-ND2 3.15Å; F296-N298 VanDerWaalsContact C-N 3.29Å; F296-N298 PolarHBondContact O-N 2.92Å; N298-G302 PolarHBondContact O-N 3.13Å
299R97Very high96.4Very high205 Ų20599 Ų9977%0.77452%0.522SS*.Hα-helixtrans-68.7-42175.3-169.8176.6-177132.2-1.3112A295 F296 A297 G302 L303A295-R299 PolarHBondContact O-N 2.9Å; A295-R299 VanDerWaalsContact O-N 3.07Å; F296-R299 CarbonylContact O-C 3.6Å; F296-R299 WeakPolarHBondContact O-CA 3.39Å; F296-R299 WeakPolarHBondContact O-CB 3.4Å; F296-R299 PolarHBondContact O-N 3.1Å; A297-R299 VanDerWaalsContact C-N 3.34Å; A297-R299 PolarHBondContact O-N 3.47Å; R299-G302 PolarHBondContact O-N 3.41Å; R299-L303 PolarHBondContact O-N 3.07Å
300V97.8Very high96.1Very high69 Ų69100.4 Ų100.442%0.41853%0.527SS..Hα-helixtrans-63.6-46.5174.8173.90000110.7F296 A297 G302 L303 K304F296-V300 HydrophobicContact CD1-CG2 4.1Å; F296-V300 HydrophobicContact CD2-CG2 4.48Å; F296-V300 HydrophobicContact CE1-CG2 3.65Å; F296-V300 HydrophobicContact CE2-CG2 4.07Å; F296-V300 HydrophobicContact CZ-CG2 3.62Å; F296-V300 WeakPolarHBondContact O-CG2 3.35Å; F296-V300 PolarHBondContact O-N 2.97Å; A297-V300 PolarHBondContact O-N 2.88Å; V300-G302 VanDerWaalsContact C-N 3.3Å; V300-G302 PolarHBondContact O-N 2.86Å; V300-L303 PolarHBondContact O-N 3.4Å; V300-L303 VanDerWaalsContact O-N 3.13Å; V300-K304 PolarHBondContact O-N 3.1Å
301N97.3Very high95.7Very high88 Ų88104.8 Ų104.847%0.47154%0.537SS..Hα-helixtrans-62.2-36.3174.8-77.5-27.1000112.5A297 K305A297-N301 WeakPolarHBondContact O-CB 2.99Å; A297-N301 PolarHBondContact O-N 3.36Å; A297-N301 PolarHBondContact O-ND2 3.18Å; N301-K305 WeakPolarHBondContact O-CG 3.43Å; N301-K305 PolarHBondContact O-N 3.44Å
302G96.8Very high95.1Very high33 Ų33103.4 Ų103.434%0.3454%0.543SS..Hα-helixtrans-64.8-39.5172.300000113N298 R299 V300 K306N298-G302 PolarHBondContact O-N 3.13Å; R299-G302 PolarHBondContact O-N 3.41Å; V300-G302 VanDerWaalsContact C-N 3.3Å; V300-G302 PolarHBondContact O-N 2.86Å; G302-K306 WeakPolarHBondContact O-CG 3.49Å; G302-K306 PolarHBondContact O-N 3.24Å
303L97.2Very high94.2Very high120 Ų120105 Ų10563%0.62855%0.55SS**Hα-helixtrans-68.5-43.6174.5-176.662.6000111.6R299 V300 K305 K306 L307R299-L303 PolarHBondContact O-N 3.07Å; V300-L303 PolarHBondContact O-N 3.4Å; V300-L303 VanDerWaalsContact O-N 3.13Å; L303-K305 PolarHBondContact O-N 2.78Å; L303-K306 PolarHBondContact O-N 2.91Å; L303-L307 PolarHBondContact O-N 2.85Å
304K96.1Very high93Very high123 Ų123103 Ų10354%0.53555%0.55SS.*Hα-helixtrans-55-52.8174.9-170.8-165.1170.3-177.70110.6V300 K306 L307 D308V300-K304 PolarHBondContact O-N 3.1Å; K304-K306 VanDerWaalsContact C-N 3.29Å; K304-K306 PolarHBondContact O-N 3.16Å; K304-L307 WeakPolarHBondContact O-CB 3.42Å; K304-L307 PolarHBondContact O-N 3.34Å; K304-D308 WeakPolarHBondContact CE-OD2 3.37Å; K304-D308 PolarHBondContact O-N 3.07Å
305K96Very high91.1Very high152 Ų152102.8 Ų102.866%0.66156%0.556SS**Hα-helixtrans-55.8-41.9177.4-74.6178.7177.7-173.80112.8N301 L303 D308 S309N301-K305 WeakPolarHBondContact O-CG 3.43Å; N301-K305 PolarHBondContact O-N 3.44Å; L303-K305 PolarHBondContact O-N 2.78Å; K305-D308 PolarHBondContact O-N 2.94Å; K305-S309 PolarHBondContact O-N 3.49Å; K305-S309 PolarHBondContact O-OG 2.78Å; K305-S309 VanDerWaalsContact O-OG 3.05Å
306K95.1Very high89.2Confident154 Ų154102.2 Ų102.267%0.6756%0.556SS**Hα-helixtrans-65.3-41.3175.8-73.7-178.5177.9-167.50112.4G302 L303 K304 S309 L310G302-K306 WeakPolarHBondContact O-CG 3.49Å; G302-K306 PolarHBondContact O-N 3.24Å; L303-K306 PolarHBondContact O-N 2.91Å; K304-K306 VanDerWaalsContact C-N 3.29Å; K304-K306 PolarHBondContact O-N 3.16Å; K306-S309 PolarHBondContact O-N 3.42Å; K306-L310 WeakPolarHBondContact O-CB 3.38Å; K306-L310 PolarHBondContact O-N 3.32Å
307L94.8Very high87.3Confident89 Ų89102 Ų10247%0.46657%0.567SS.*Hα-helixtrans-65.1-42.6176.1-178.863.6000111.3L303 K304 L310 K311L303-L307 PolarHBondContact O-N 2.85Å; K304-L307 WeakPolarHBondContact O-CB 3.42Å; K304-L307 PolarHBondContact O-N 3.34Å; L307-L310 PolarHBondContact O-N 3.41Å; L307-K311 WeakPolarHBondContact O-CB 3.16Å; L307-K311 WeakPolarHBondContact O-CG 3.26Å; L307-K311 PolarHBondContact O-N 3.43Å
308D93.6Very high85.2Confident69 Ų69108.6 Ų108.637%0.36959%0.591SS.*Hα-helixtrans-63.5-40.9176.6-63-23.5000110.8K304 K305 K311 A312K304-D308 WeakPolarHBondContact CE-OD2 3.37Å; K304-D308 PolarHBondContact O-N 3.07Å; K305-D308 PolarHBondContact O-N 2.94Å; D308-K311 PolarHBondContact O-N 2.99Å; D308-A312 WeakPolarHBondContact O-CB 3.39Å; D308-A312 PolarHBondContact O-N 3.44Å
309S91.6Very high83.3Confident79 Ų79109.3 Ų109.355%0.55260%0.595SS**Hα-helixtrans-64.3-37.9171.1-600000113.2K305 K306 A312 S313K305-S309 PolarHBondContact O-N 3.49Å; K305-S309 PolarHBondContact O-OG 2.78Å; K305-S309 VanDerWaalsContact O-OG 3.05Å; K306-S309 PolarHBondContact O-N 3.42Å; S309-A312 PolarHBondContact O-N 3Å; S309-S313 WeakPolarHBondContact O-CB 3.49Å; S309-S313 PolarHBondContact O-N 3.21Å
310L90.9Very high81Confident108 Ų108104.3 Ų104.357%0.56559%0.592SS**Hα-helixtrans-69.3-38.9176.9-132.373.5000111.5K306 L307 A312 S313 L314K306-L310 WeakPolarHBondContact O-CB 3.38Å; K306-L310 PolarHBondContact O-N 3.32Å; L307-L310 PolarHBondContact O-N 3.41Å; L310-A312 VanDerWaalsContact C-N 3.32Å; L310-A312 PolarHBondContact O-N 2.93Å; L310-S313 CarbonylContact O-C 3.59Å; L310-S313 PolarHBondContact O-N 3.41Å; L310-L314 WeakPolarHBondContact O-CB 3.47Å; L310-L314 WeakPolarHBondContact O-CG 3.46Å; L310-L314 PolarHBondContact O-N 3.43Å
311K87.6Confident79.1Confident136 Ų136106.9 Ų106.959%0.59161%0.61SS**Hα-helixtrans-63-35.7172.1-76.1-179.2173.3-170.80112.6L307 D308 L314L307-K311 WeakPolarHBondContact O-CB 3.16Å; L307-K311 WeakPolarHBondContact O-CG 3.26Å; L307-K311 PolarHBondContact O-N 3.43Å; D308-K311 PolarHBondContact O-N 2.99Å; K311-L314 VanDerWaalsContact O-O 3.11Å
312A83.9Confident76.8Confident88 Ų88109.7 Ų109.773%0.72762%0.623SS**Hα-helixtrans-76.5-22.9173.900000113.3D308 S309 L310D308-A312 WeakPolarHBondContact O-CB 3.39Å; D308-A312 PolarHBondContact O-N 3.44Å; S309-A312 PolarHBondContact O-N 3Å; L310-A312 VanDerWaalsContact C-N 3.32Å; L310-A312 PolarHBondContact O-N 2.93Å
313S78.8Confident74.6Confident92 Ų92113.6 Ų113.664%0.64364%0.643SS**Hα-helixtrans-86.1-20.1175.7179.80000113.4S309 L310S309-S313 WeakPolarHBondContact O-CB 3.49Å; S309-S313 PolarHBondContact O-N 3.21Å; L310-S313 CarbonylContact O-C 3.59Å; L310-S313 PolarHBondContact O-N 3.41Å
314L71.7Confident72.3Confident123 Ų123113.3 Ų113.364%0.64465%0.651SS**SBendtrans-88.9100.5171.3-72.5164000106.9L310 K311 G316L310-L314 WeakPolarHBondContact O-CB 3.47Å; L310-L314 WeakPolarHBondContact O-CG 3.46Å; L310-L314 PolarHBondContact O-N 3.43Å; K311-L314 VanDerWaalsContact O-O 3.11Å; L314-G316 PolarHBondContact O-N 3.49Å
315S57.6Low69.8Low90 Ų90113.4 Ų113.463%0.62966%0.664SS**  trans-48.4141.3170.4-59.60000110.2
316G57Low67.5Low48 Ų48111.4 Ų111.450%0.49567%0.669SS.*  trans-62.1169.3176.300000112.1L314 E318 D319L314-G316 PolarHBondContact O-N 3.49Å; G316-E318 PolarHBondContact O-N 2.99Å; G316-D319 PolarHBondContact O-N 3.3Å
317P57.2Low65.4Low125 Ų125114 Ų11481%0.81268%0.683SS**THydrogen-bonded Turntrans-56.1-11.8-179.5-26.836.1000116.3
318E54.7Low63.6Low181 Ų181117.1 Ų117.185%0.84670%0.701SS**THydrogen-bonded Turntrans-84.4-3.3-172.5-61.9-60.9119.200115.2G316G316-E318 PolarHBondContact O-N 2.99Å
319D57.6Low61.3Low123 Ų123117.9 Ų117.966%0.65872%0.716SS**  trans-109.449-174.2-1452.4000112.7G316G316-D319 PolarHBondContact O-N 3.3Å
320S48Very low59.1Low101 Ų101120.1 Ų120.171%0.70673%0.729SS**  trans-104.3107.5169-75.90000110.9I322S320-I322 VanDerWaalsContact C-N 3.31Å; S320-I322 PolarHBondContact O-N 3.23Å
321P58.7Low57.1Low123 Ų123120.2 Ų120.280%0.79974%0.739SS**  trans-84.269.4-178.434.5-35.9000111.8
322I47.9Very low55Low146 Ų146120 Ų12075%0.74975%0.751SS**  trans-136.4112.4161.1-51.8179.2000107.9S320 S324S320-I322 VanDerWaalsContact C-N 3.31Å; S320-I322 PolarHBondContact O-N 3.23Å; I322-S324 PolarHBondContact O-N 3.24Å
323P50Low52.9Low116 Ų116122.7 Ų122.775%0.75376%0.759SS**PPolyproline II helixtrans-69.7130.4174.629.2-32.5000109.7
324S50.7Low50.8Low113 Ų113121.4 Ų121.479%0.7976%0.76SS**PPolyproline II helixtrans-54.3131.6170.9-590000110.1I322I322-S324 PolarHBondContact O-N 3.24Å
325P43.2Very low49.5Very low126 Ų126120.6 Ų120.682%0.81877%0.765SS**PPolyproline II helixtrans-59.1144.8175.7-23.334000111.7
326S47.4Very low48.5Very low109 Ų109123.7 Ų123.776%0.76277%0.774SS**PPolyproline II helixtrans-62.7144.2-178.346.50000113.5D328S326-D328 PolarHBondContact O-N 3.5Å
327E51Low47.7Very low208 Ų208126.5 Ų126.597%0.97279%0.786SS**SBendtrans-75.428.4-169.4-150.8168.9163.600114.9
328D57.3Low47Very low155 Ų155126 Ų12683%0.82978%0.783SS**  trans-134.467.7-171.7-16334.7000112.8S326S326-D328 PolarHBondContact O-N 3.5Å
329A43.8Very low46Very low85 Ų85126 Ų12670%0.70278%0.781SS**SBendtrans-140.4134164.500000109.1
330P47Very low45Very low127 Ų127126.8 Ų126.883%0.82578%0.784SS**  trans-78.7141.9-157.229.6-36.6000114.8
331S48.3Very low44.3Very low110 Ų110131.1 Ų131.177%0.76979%0.793SS**  trans-66.1142.2172.1-49.50000113.1
332P42.9Very low43.2Very low131 Ų131132.4 Ų132.485%0.85179%0.79SS**  trans-87.8112.5155.831.4-26.7000110.6
333T39.9Very low43Very low145 Ų145134.7 Ų134.789%0.8980%0.798SS**  trans-51.4145.6172.1-34.60000113.6
334G36Very low42.2Very low65 Ų65134.8 Ų134.867%0.6780%0.796SS**  trans-176.978.7170.600000115.3
335S42.7Very low41.2Very low105 Ų105132.9 Ų132.973%0.73479%0.787SS**  trans37.7124154.152.80000119.2
336D36.3Very low40.8Very low155 Ų155138.1 Ų138.183%0.82979%0.791SS**  cis-149.8159.631.9-101.7-53.2000114.6
337S41Very low40Very low107 Ų107137.3 Ų137.375%0.74879%0.791SS**  trans-148.5153168.3-84.10000105.9
338P43.5Very low39.1Very low115 Ų115137.1 Ų137.175%0.74779%0.787SS**  cis-155.2161.546.642.1-20.7000119.1
339F32.3Very low38Very low182 Ų182135.9 Ų135.980%0.79878%0.784SS**  31.5106.5127.8-157.3-115000120.6
340L37.8Very low37.6Very low139 Ų139139 Ų13973%0.72879%0.79SS**  156113.9125.3-88.1161.4000114.4
341E33.2Very low37.6Very low192 Ų192137.2 Ų137.290%0.89778%0.778SS**  trans-166.987.6132-158.9162.2-157.300107.3
342M35.4Very low36.9Very low150 Ų150139.8 Ų139.874%0.73978%0.778SS**  76.3106.584.8-166150.5-160.600114.3T344M342-T344 PolarHBondContact O-N 3.02Å
343E42.7Very low37Very low194 Ų194140.4 Ų140.491%0.90777%0.773SS**  trans-76102.5177.6-175.7177.9-16300111.4
344T32.9Very low37Very low117 Ų117140.8 Ų140.872%0.71877%0.77SS**  trans-161.114116514.50000108.9M342M342-T344 PolarHBondContact O-N 3.02Å
345A31.3Very low37.1Very low73 Ų73140.5 Ų140.560%0.60377%0.766SS**  cis-159.9170.53.400000111.3
346R33.9Very low36.9Very low236 Ų236145 Ų14589%0.89177%0.773SS**  trans72.3115162.1-57.3165.5-173.4178.81.6114.7
347A30.7Very low37.1Very low92 Ų92142 Ų14276%0.7677%0.769SS**  cis66.8105.245.600000114.6
348K32.7Very low37.2Very low204 Ų204145.3 Ų145.389%0.88778%0.775SS**  trans57131.3160.3-64-178.4174.6-176.90118.1
349V33.6Very low36.9Very low129 Ų129146.3 Ų146.378%0.78277%0.774SS**  -177.2121.4101.91540000109.5
350D34.9Very low37.4Very low152 Ų152146.4 Ų146.481%0.81378%0.777SS**  trans-93.1131.2141.317161.4000103.8
351P47.8Very low37.3Very low89 Ų89142.8 Ų142.858%0.57877%0.774SS**  -150.8164.461.740-19.4000118.2
352E34.5Very low37.2Very low164 Ų164143.2 Ų143.277%0.76678%0.776SS**  171.5121.4116.5-92.6-165.5143.800113.8
353L43.6Very low37Very low143 Ų143144.6 Ų144.675%0.74979%0.785SS**  trans50.2110.9134.5-63164.3000121.9
354D39.8Very low36.5Very low154 Ų154144.6 Ų144.682%0.82479%0.785SS**  65.9130.7117.3-150.539.4000119.6
355G38Very low36.4Very low58 Ų58145.3 Ų145.360%0.59879%0.785SS**  cis178.9168.9-4.600000113.7
356K40.1Very low36.5Very low200 Ų200148.8 Ų148.887%0.8779%0.793SS**  trans48.5135.8159.7-46.8-169.2-176.9-174.90118.6
357A39.3Very low36.8Very low91 Ų91144 Ų14475%0.75279%0.785SS**  cis-172.9143.349.700000114.4
358M43.1Very low37.2Very low178 Ų178150 Ų15088%0.87779%0.788SS**  trans59.1115.8154.7-65.1-16616300120.8
359D36.7Very low37.2Very low135 Ų135146.5 Ų146.572%0.72278%0.779SS**  85.795.253.8-165.672.7000109.8
360E44.2Very low37.3Very low184 Ų184148 Ų14886%0.8678%0.78SS**  76.9148.677-68.9-107.4146.700112.9
361G35.2Very low37.5Very low64 Ų64149.4 Ų149.466%0.6678%0.781SS**  cis-175.3160.2-3.300000111.1
362E30.2Very low37.3Very low200 Ų200151.8 Ų151.894%0.93579%0.789SS**PPolyproline II helixtrans-99.5136.6170.7-80.5-168.213000110.8
363L32.3Very low37.9Very low180 Ų180152.9 Ų152.994%0.94280%0.796SS**PPolyproline II helixtrans-80.4137.6-176.9-75.1168.8000113.1
364Q31.6Very low37.8Very low194 Ų194152.9 Ų152.991%0.90780%0.797SS**PPolyproline II helixtrans-95.7150.4170.7-91.1-179-23.100113.8
365N32.1Very low37.5Very low132 Ų132153 Ų15371%0.70680%0.795SS**PPolyproline II helixtrans-61.8144.8166.7170.180.3000112.5
366D31.9Very low37.3Very low145 Ų145155 Ų15578%0.77580%0.799SS**  -168171.7108.2-130.8-25.5000115.5
367N40.1Very low37.1Very low136 Ų136152.9 Ų152.973%0.72780%0.798SS**  trans-118.8171-175.5-164.410.7000110.5
368R38.5Very low37Very low217 Ų217158.1 Ų158.182%0.81981%0.807SS**  trans90.4150.4-177.9-60.3-174.3176.91352.2115.7
369D34.1Very low36.6Very low132 Ų132158 Ų15871%0.70680%0.804SS**  cis-159.4171-12.5-116.2-40.2000109.9
370M35Very low36.5Very low160 Ų160155.7 Ų155.779%0.78880%0.803SS**  trans82.1143.7146.8-136.780.4-179.700122.3
371E40.1Very low35.7Very low181 Ų181152.5 Ų152.585%0.84680%0.8SS**  trans97.4145.6153.3-51.3-160.1169.500120.9
372D43.8Very low35.4Very low140 Ų140154.4 Ų154.475%0.74981%0.81SS**  trans-130.2126.8-151.6175.930.3000107.7
373M46.9Very low35.2Very low186 Ų186148.6 Ų148.692%0.91680%0.803SS**  trans-151.5115.7167.3-80.5-57.1156.300110.6
374D40.1Very low35Very low144 Ų144144.8 Ų144.877%0.7780%0.798SS**  trans-79.8172.9159.6-163.21.2000109.9
375M34.1Very low34.9Very low156 Ų156140.2 Ų140.277%0.76879%0.793SS**  trans127.5110.4160.1-67.9-71.5-78.800116.6
376S35Very low34.7Very low99 Ų99143.5 Ų143.569%0.69281%0.805SS**  88.8132.7129.3-64.20000122.2
377D34.8Very low34.4Very low156 Ų156139.9 Ų139.983%0.83480%0.802SS**  trans-59.5150.5162.7-59.8-66.5000112.7
378E36.6Very low33.8Very low202 Ų202141.2 Ų141.294%0.94480%0.803SS**  trans-135.9151.2135-75.2-155.1172.100110.9
379E35.3Very low33.3Very low175 Ų175138.3 Ų138.382%0.81880%0.797SS**  trans-112.5-169.4-158.9-118.1-92.8-171.500112.5
380A35Very low33Very low86 Ų86138.1 Ų138.171%0.71180%0.795SS**  trans77.2109.1171.100000116.8
381C26.6Very low32.6Very low117 Ų117138.3 Ų138.379%0.79179%0.794SS**  cis76.511536.4-1630000115.1
382A29.2Very low31.9Very low104 Ų104136.2 Ų136.286%0.8679%0.788SS**  trans-162134.5137.900000110.2
383G26.5Very low31.1Very low78 Ų78136 Ų13680%0.80479%0.786SS**  trans-151.5155.2170.500000111.9
384A27.7Very low30.2Very low101 Ų101134.8 Ų134.884%0.83578%0.776SS**  trans-163129.5163.300000107
385A29.7Very low29.7Very low97 Ų97135.4 Ų135.480%0.80277%0.774SS**  cis91.988.640.200000114.1
386Q28.3Very low29.3Very low202 Ų202137 Ų13794%0.94478%0.777SS**  trans-175.3155.3150.1-104.4171-0.500108.2
387G25.4Very low29Very low69 Ų69136.4 Ų136.471%0.71178%0.778SS**  cis136.3107.9000000112.1
388E27.4Very low28.9Very low163 Ų163135 Ų13576%0.76278%0.777SS**  trans72.6108.7168.4-90.6-163.410900122.6
389K28.2Very low28.4Very low156 Ų156133.9 Ų133.968%0.67878%0.777SS**  71.5142.1112-110.6171.9156.7-178.70124.3
390L27.1Very low28.1Very low128 Ų128135.8 Ų135.867%0.6778%0.776SS**  trans70.7147.2152.2-61.3169.7000117.9
391Q27.6Very low27.6Very low165 Ų165137.9 Ų137.977%0.77179%0.785SS**  cis-165.5157.8-34.1-140.9176.839.200109
392L24.8Very low27.7Very low136 Ų136136.3 Ų136.371%0.71278%0.775SS**  trans89.1123.7145.5-162.163.3000121.8
393N26.6Very low27.7Very low135 Ų135139.2 Ų139.272%0.72277%0.774SS**  trans73.4146.3159.3-71.1-18.1000121.1
394K28.6Very low27.7Very low162 Ų162141.6 Ų141.670%0.70477%0.773SS**  cis-172.3157.4-30.2-162.6170.5175.8178.40108.1
395H30Very low27.8Very low157 Ų157144.1 Ų144.173%0.72777%0.771SS**  trans78.7141.9172.1-57.6-71.8000116
396K26.3Very low27.7Very low189 Ų189147.6 Ų147.682%0.82278%0.777SS**  cis-164.1133.9-5.1161.3-176.2179.9-171.30111.7
397A27.6Very low27.7Very low86 Ų86141.6 Ų141.671%0.71177%0.769SS**  trans59129.1157.200000121.6
398P31.9Very low27.7Very low126 Ų126147.2 Ų147.282%0.81877%0.774SS**PPolyproline II helixtrans-86.9150.4163.635.7-32.5000112.2
399L27.8Very low27.6Very low179 Ų179145.9 Ų145.994%0.93777%0.771SS**PPolyproline II helixtrans-74.3142-178.9-75163.9000113.1
400R28.8Very low27.4Very low215 Ų215144.7 Ų144.781%0.81177%0.772SS**PPolyproline II helixtrans-100152.9162.8-73-173.9173.1-138.73.7110
401C24.5Very low27.4Very low131 Ų131146.2 Ų146.289%0.88578%0.776SS**  trans-146.3108.7137.5-90.80000106.2
402S27.8Very low27.5Very low83 Ų83144.7 Ų144.758%0.5878%0.78SS**  cis74.499.247.4-59.10000113.6
403I28.8Very low27.5Very low165 Ų165142.2 Ų142.285%0.84678%0.779SS**  trans-56.9140.8159.2-64.2160.7000109.1
404V27.1Very low27.6Very low128 Ų128141.9 Ų141.978%0.77678%0.782SS**  trans-129.6120165.9179.10000109.4
405L29.8Very low27.6Very low155 Ų155139.9 Ų139.981%0.81279%0.788SS**  trans-105.8137.2153.1-85.7169.7000107.3
406N28.3Very low27.5Very low170 Ų170141.3 Ų141.391%0.90979%0.792SS**  trans-173.8153.7146.8-101.7-2.2000108.8
407G26.7Very low27.4Very low76 Ų76138 Ų13878%0.78479%0.789SS**  trans-164.5161.7173.600000112.7
408K25.3Very low27.3Very low186 Ų186142.8 Ų142.881%0.80979%0.793SS**  trans-175.3131.9161.2-161.880.2178.5-168.80111.3
409L25.5Very low27.1Very low136 Ų136141.3 Ų141.371%0.71279%0.786SS**  trans57.9151.9161.8-98.251.8000117.7
410D24.9Very low26.9Very low131 Ų131139.9 Ų139.970%0.70178%0.779SS**  cis-145.4-175.820-124.9-50.1000114.6
411Q26.4Very low26.8Very low160 Ų160138.4 Ų138.475%0.74878%0.781SS**  trans-68.9169.9-169.1-62.6172.65400117.8
412P30.4Very low26.9Very low133 Ų133136.2 Ų136.286%0.86477%0.773SS**  -131.7-176110.439.5-31.8000115.4
413A24.9Very low27Very low83 Ų83137.9 Ų137.969%0.68679%0.785SS**  trans-104.3145.6-145.200000119.1
414V28.2Very low26.9Very low128 Ų128139.8 Ų139.878%0.77679%0.787SS**  trans48.9119.5134.1-176.40000121.7
415S27.6Very low27.7Very low121 Ų121138.3 Ų138.385%0.84678%0.78SS**  -146.9146.7128.651.50000111.2
416K28.2Very low27.5Very low186 Ų186139.8 Ų139.881%0.80978%0.783SS**  trans-84161-164.1-61.8169.2178.9173.50112.7
417T23.8Very low27.4Very low121 Ų121135.7 Ų135.774%0.74277%0.768SS**  176.8145.883.3-62.80000112.6
418K26.4Very low27.4Very low185 Ų185138.3 Ų138.380%0.80477%0.769SS**  trans61.1119.2170.5-77.4174.2169.8-178.20116.8
419S27.1Very low28.2Very low96 Ų96135 Ų13567%0.67177%0.766SS**  61.8132.261.282.40000113.2
420D24.6Very low28.1Very low149 Ų149135 Ų13580%0.79777%0.772SS**  cis-156-176.117-133.7-46.5000113.7
421E26.1Very low28.3Very low183 Ų183137.8 Ų137.886%0.85578%0.778SS**  trans91.1130.1156.8-142.7105.5-159.300121.2
422A27.6Very low29.7Very low86 Ų86134.9 Ų134.971%0.71177%0.773SS**  trans-65.3167.9-170.700000116.5
423S28.6Very low30.2Very low118 Ų118134.8 Ų134.883%0.82577%0.772SS**  cis-163.2162.541.8-60.20000114.9
424K26.9Very low30.4Very low204 Ų204138.8 Ų138.889%0.88777%0.774SS**  trans-121.6170.8165.3-116.3-148.5133.9-179.70110.6
425P44.7Very low30.7Very low98 Ų98138.1 Ų138.164%0.63677%0.772SS**  trans-119.8171.4-147.543-34.9000115.7
426Q25Very low30.8Very low185 Ų185135.7 Ų135.786%0.86476%0.755SS**  trans-170.7143.5141.5-115.1173.5-83.700117.5
427S25.5Very low31.5Very low85 Ų85132.2 Ų132.259%0.59475%0.752SS**  trans32.3123.2145.457.10000124.9
428T26.7Very low31.9Very low131 Ų131131.6 Ų131.680%0.80475%0.753SS**  22.7156.4128.661.70000122.5
429P41.9Very low32.2Very low116 Ų116128.4 Ų128.475%0.75375%0.748SS**  cis-138.1-169.511.138.9-18.1000115.6
430T25Very low32.4Very low137 Ų137129.5 Ų129.584%0.8475%0.75SS**  155162.1129.4-55.50000112.8
431K27.8Very low32.7Very low188 Ų188127.4 Ų127.482%0.81774%0.743SS**  trans-136-179-169.3-158.5-154.8173-176.80110.5
432P56.9Low32.8Very low99 Ų99124.9 Ų124.964%0.64374%0.741SS**  -101.1-165.9-90.441.4-24.9000113.7
433P40.5Very low32.8Very low131 Ų131125.3 Ų125.385%0.85174%0.744SS**  -143.9-177.28834.6-14.6000116.3
434K29.3Very low32.9Very low168 Ų168126 Ų12673%0.7374%0.743SS**  trans-112.1165-172.9-151.9-167.6-179.2-178.30110
435P35.2Very low33.8Very low114 Ų114121.5 Ų121.574%0.7474%0.735SS**  -144.6153.390.742.5-27.4000112.6
436S29.9Very low33.1Very low70 Ų70123.5 Ų123.549%0.4975%0.745SS.*  54.1147.950.648.60000114.4
437P42.5Very low33.4Very low112 Ų112120.9 Ų120.973%0.72774%0.742SS**  cis-132.1148.627.539.2-20000115.5
438S32.5Very low34.1Very low109 Ų109122.4 Ų122.476%0.76275%0.75SS**  83.5161.183.7-46.10000114
439V32.1Very low34.1Very low118 Ų118122.4 Ų122.472%0.71575%0.75SS**  cis-161.2135.613.898.90000107.9
440V31.5Very low33.5Very low118 Ų118122.5 Ų122.572%0.71575%0.753SS**  86.9147.190.2120.50000113.1
441T30.3Very low33.7Very low105 Ų105120.3 Ų120.364%0.64475%0.749SS**  cis-167.3158.524.8-4.60000113.9
442T27.4Very low33.6Very low131 Ų131121.2 Ų121.280%0.80475%0.753SS**  trans36.5158.8141.648.90000123.8
443A29.5Very low32.2Very low94 Ų94120.1 Ų120.178%0.77775%0.752SS**  cis-159.1174.60.400000111.5
444T30.3Very low31.4Very low133 Ų133119.9 Ų119.982%0.81675%0.748SS**  trans-80.8179165.746.60000111.6
445P45.7Very low31.3Very low110 Ų110117.7 Ų117.771%0.71475%0.75SS**  cis-143.9-159.916.237.4-11.9000117.2
446V30.3Very low30.8Very low140 Ų140118.3 Ų118.385%0.84875%0.751SS**  trans96.9142.2160.9-38.20000122.1
447T31.4Very low31.3Very low130 Ų130120.4 Ų120.480%0.79876%0.763SS**  trans-107.3153.1177.2-120000110.2
448P38.5Very low30.8Very low116 Ų116121.3 Ų121.375%0.75377%0.767SS**  -156.1157.695.238.8-19.2000118.8
449T28.7Very low30.8Very low131 Ų131122.3 Ų122.380%0.80477%0.768SS**  trans40.3109.3137.2-50.40000124.5
450S29.1Very low31.7Very low119 Ų119122 Ų12283%0.83277%0.769SS**  trans81.9159.2132.7-152.90000124
451A27.6Very low31.7Very low91 Ų91124.2 Ų124.275%0.75278%0.776SS**  trans92.691.7162.400000121.9
452K26.8Very low31.6Very low207 Ų207122.5 Ų122.590%0.978%0.779SS**  27.3137126.2-164.1-176.3177.6-174.50121.9
453A26.4Very low32Very low76 Ų76123.3 Ų123.363%0.62878%0.783SS**  trans99.2109.1147.400000121.9
454T25.3Very low32.2Very low125 Ų125125.6 Ų125.677%0.76778%0.783SS**  88.5137.6121.2-53.90000121.3
455T26.4Very low32.5Very low123 Ų123128 Ų12876%0.75579%0.79SS**  trans74.4114.1162.836.50000122.5
456T24.9Very low32Very low126 Ų126126.9 Ų126.977%0.77379%0.79SS**  trans-14.9163.2135.250.40000118.8
457P41.2Very low32.4Very low114 Ų114130.3 Ų130.374%0.7479%0.793SS**  cis-127-168.525.628-2.3000113.3
458T30.4Very low33.3Very low132 Ų132129.9 Ų129.981%0.8179%0.79SS**  cis-159.6145.433.1-38.70000113.5
459T33.9Very low33.6Very low129 Ų129128.8 Ų128.879%0.79178%0.778SS**  trans-82.6-176.4169.45.30000111.9
460P50.2Low34.9Very low112 Ų112129.3 Ų129.373%0.72778%0.775SS**  cis-127.8-170.727.628.9-2.9000113.5
461L31.1Very low35.9Very low164 Ų164126.2 Ų126.286%0.85976%0.762SS**  cis-128.8165.211.9-66.172.3000109.5
462G28.5Very low36.9Very low69 Ų69128.6 Ų128.671%0.71176%0.756SS**  cis141.988.1-3.800000113.6
463V35.8Very low38.1Very low148 Ų148123.5 Ų123.590%0.89774%0.737SS**  trans-144.2131.6155.8-171.70000108.8
464N33.8Very low39Very low142 Ų142123.7 Ų123.776%0.75973%0.734SS**  trans-100.9152-178.4-104.6-86.8000111.7
465L35.5Very low39.9Very low184 Ų184121.3 Ų121.396%0.96372%0.722SS**  trans-171.285.1149.6-105159.3000110.3
466A35.4Very low41Very low87 Ų87120.9 Ų120.972%0.71971%0.714SS**  trans-123.5105.6175.300000110.6
467K39.6Very low42Very low211 Ų211120.8 Ų120.892%0.91771%0.708SS**  trans-176.181.3159.5-108.4170.5-176.3178.50110.3
468V49.3Very low42.3Very low121 Ų121121 Ų12173%0.73370%0.703SS**  trans-121110.2159.1-178.90000106.9
469D45.4Very low42.9Very low94 Ų94118.7 Ų118.750%0.50369%0.692SS.*  trans-91.6105.6-168.9-176.2-1.2000109.7G471 K472D469-G471 PolarHBondContact O-N 3.12Å; D469-G471 VanDerWaalsContact O-N 3.1Å; D469-G471 PolarHBondContact OD1-N 2.96Å; D469-K472 HydrophobicContact CB-CD 4.35Å; D469-K472 HydrophobicContact CB-CG 4.5Å; D469-K472 PolarHBondContact O-N 3.35Å; D469-K472 WeakPolarHBondContact OD2-CE 3.43Å
470L55.9Low43.2Very low142 Ų142119.3 Ų119.374%0.74369%0.69SS**Hα-helixtrans-63.4-17.7-172.3-76.892.9000113.4K472L470-K472 VanDerWaalsContact C-N 3.25Å; L470-K472 PolarHBondContact O-N 3.17Å
471G50.5Low42.7Very low54 Ų54119.7 Ų119.756%0.55769%0.691SS**Hα-helixtrans-63.6-28.7172.800000113.6D469D469-G471 PolarHBondContact O-N 3.12Å; D469-G471 VanDerWaalsContact O-N 3.1Å; D469-G471 PolarHBondContact OD1-N 2.96Å
472K49.3Very low42.9Very low141 Ų141116.6 Ų116.661%0.61368%0.683SS**Hα-helixtrans-81.4-22.7-175.6-65.1-178.9-177.7176.80113.7D469 L470 S475D469-K472 HydrophobicContact CB-CD 4.35Å; D469-K472 HydrophobicContact CB-CG 4.5Å; D469-K472 PolarHBondContact O-N 3.35Å; D469-K472 WeakPolarHBondContact OD2-CE 3.43Å; L470-K472 VanDerWaalsContact C-N 3.25Å; L470-K472 PolarHBondContact O-N 3.17Å; K472-S475 PolarHBondContact O-N 3.48Å
473I50.9Low43.1Very low99 Ų99117.2 Ų117.251%0.50868%0.681SS.*Hα-helixtrans-71.7-33.8178.3-58.3175.1000110.7S475I473-S475 PolarHBondContact O-N 3.34Å
474S46Very low42.9Very low81 Ų81119 Ų11957%0.56668%0.682SS**Hα-helixtrans-66.8-34.4175.8-1640000112.8I476S474-I476 VanDerWaalsContact C-N 3.35Å; S474-I476 PolarHBondContact O-N 3.04Å
475S43.6Very low42.9Very low75 Ų75120.7 Ų120.752%0.52468%0.683SS.*Hα-helixtrans-69.2-27.5-179.3-167.60000114.1K472 I473 S479K472-S475 PolarHBondContact O-N 3.48Å; I473-S475 PolarHBondContact O-N 3.34Å; S475-S479 PolarHBondContact O-N 3.33Å
476I49.4Very low42.7Very low113 Ų113118.7 Ų118.758%0.57967%0.673SS**Hα-helixtrans-77.8-31.4-175-64.7168.9000111.5S474 S479 L480S474-I476 VanDerWaalsContact C-N 3.35Å; S474-I476 PolarHBondContact O-N 3.04Å; I476-S479 PolarHBondContact O-N 2.85Å; I476-L480 PolarHBondContact O-N 3.35Å
477L46.8Very low42.4Very low124 Ų124121.5 Ų121.565%0.64968%0.681SS**Hα-helixtrans-73.3-31.7177.2-72.3168000112.9T481L477-T481 PolarHBondContact O-OG1 3.34Å
478N47.3Very low42Very low119 Ų119115.8 Ų115.864%0.63667%0.673SS**Hα-helixtrans-75.3-27.8174.4-78.3-13.1000113
479S42.4Very low42.1Very low83 Ų83115.6 Ų115.658%0.5868%0.675SS**Hα-helixtrans-73.5-28.2174.1-70.60000114.1S475 I476 T481S475-S479 PolarHBondContact O-N 3.33Å; I476-S479 PolarHBondContact O-N 2.85Å; S479-T481 VanDerWaalsContact C-N 3.32Å; S479-T481 PolarHBondContact O-N 2.91Å
480L39.9Very low41.3Very low143 Ų143118.3 Ų118.375%0.74970%0.695SS**Hα-helixtrans-74.2-20.4177.3-112.891.8000113.9I476I476-L480 PolarHBondContact O-N 3.35Å
481T39.2Very low40Very low120 Ų120116 Ų11674%0.73670%0.696SS**Hα-helixtrans-91.1-13.3-174.8-52.70000113L477 S479L477-T481 PolarHBondContact O-OG1 3.34Å; S479-T481 VanDerWaalsContact C-N 3.32Å; S479-T481 PolarHBondContact O-N 2.91Å
482S35.8Very low39.2Very low99 Ų99118.8 Ų118.869%0.69271%0.707SS**SBendtrans-101.70.4-179.2-61.70000114.7M484S482-M484 VanDerWaalsContact C-N 3.29Å; S482-M484 PolarHBondContact O-N 3.23Å
483A33.1Very low39.2Very low82 Ų82117.6 Ų117.668%0.67871%0.714SS**THydrogen-bonded Turntrans-84.511.8-175.500000115.1
484M32.1Very low38.2Very low185 Ų185124 Ų12491%0.91173%0.731SS**THydrogen-bonded Turntrans-136.140.5-180-66.7-170.574.200113.8S482S482-M484 VanDerWaalsContact C-N 3.29Å; S482-M484 PolarHBondContact O-N 3.23Å
485K33Very low37.9Very low178 Ų178125.9 Ų125.977%0.77474%0.742SS**SBendtrans-156.7116.2161.1-141.6159-179.4175.90114.2
486N31.2Very low37.5Very low141 Ų141127.2 Ų127.275%0.75475%0.751SS**  trans68.8110.5159.1-52.5-12.8000119.9
487T29.1Very low37.3Very low146 Ų146128.2 Ų128.290%0.89677%0.765SS**  -142.4144.5129-45.20000108.9
488A30.7Very low36.5Very low91 Ų91126 Ų12675%0.75277%0.772SS**  trans-123.6-159.1-173.900000110.9
489P53.3Low35.8Very low118 Ų118127 Ų12777%0.76678%0.782SS**  trans-104.6169.1-136.642.8-37.1000116.5
490T28.6Very low35.9Very low151 Ų151128.2 Ų128.293%0.92679%0.789SS**  trans-149.4166.1156.141.80000111
491A28.1Very low35.6Very low92 Ų92127.1 Ų127.176%0.7679%0.788SS**  trans-139.7171.9-161.600000115.3
492S33.5Very low35.4Very low114 Ų114127.8 Ų127.880%0.79779%0.792SS**  trans84.3155.9161.1-60.60000119.1
493P50.1Low35.9Very low116 Ų116128.6 Ų128.675%0.75380%0.795SS**  cis-146.5157.7-31.537.7-19.3000118.5
494R29.8Very low35.7Very low233 Ų233131 Ų13188%0.87980%0.802SS**  trans69.9156.1145-153.5166.7-171.5-157.6-1118.4
495P38.9Very low35.6Very low120 Ų120126.1 Ų126.178%0.77979%0.79SS**  cis-118.9173.27.615.511.2000119.7
496S34.7Very low35.5Very low104 Ų104126.1 Ų126.173%0.72779%0.793SS**  trans-89.7-177.4174.5-270000111.5
497P45.2Very low35.3Very low133 Ų133125.1 Ų125.186%0.86479%0.793SS**  cis-140.6174.135.941-20.8000118
498G30.1Very low35.2Very low78 Ų78122.5 Ų122.580%0.80479%0.786SS**  trans161.195.416900000115.3
499T33.4Very low35.1Very low139 Ų139122.4 Ų122.485%0.85379%0.785SS**  trans-91-177.5172.838.50000111.8
500P44.6Very low34Very low110 Ų110122.1 Ų122.171%0.71479%0.786SS**  cis-120.8-169.2-8.625.40.3000111.2
501T34.2Very low34Very low120 Ų120125.2 Ų125.274%0.73679%0.786SS**  cis-153.1123.334.649.10000115.1
502T33.2Very low34.1Very low134 Ų134124.6 Ų124.682%0.82279%0.788SS**  57133.3126.8-34.90000123.1
503P47.6Very low34Very low116 Ų116125.7 Ų125.775%0.75379%0.791SS**  trans-125-174-17546.2-33.8000115.4
504T28.6Very low33.9Very low133 Ų133125.5 Ų125.582%0.81679%0.789SS**  trans-153.1114.9156.3-54.30000107
505A30.8Very low34.5Very low81 Ų81120.1 Ų120.167%0.66979%0.785SS**  57.5143.281.800000114.3
506Q30.7Very low34.4Very low178 Ų178119.8 Ų119.883%0.83279%0.785SS**  cis-163.5156.4-3.3-122-177.523.200110.4
507T26.4Very low34.8Very low121 Ų121121 Ų12174%0.74279%0.79SS**  trans41.5140.8145.2-190000124.9
508A27.6Very low34.2Very low91 Ų91118.8 Ų118.875%0.75278%0.784SS**  trans98.3114.5140.500000123.1
509A27.6Very low34.4Very low89 Ų89123 Ų12374%0.73679%0.787SS**  trans55.9108.9131.300000124.6
510S31.1Very low34.8Very low112 Ų112121.2 Ų121.278%0.78379%0.786SS**  86.1135.4127.578.80000123.2
511K28.6Very low34.4Very low216 Ų216120.9 Ų120.994%0.93979%0.786SS**  trans61.4120.2160.6-69.8-176.9176.7178.70119.9
512G28.6Very low34.7Very low78 Ų78122.4 Ų122.480%0.80479%0.788SS**  trans160.5132.3162.200000113.2
513T32.5Very low34.8Very low138 Ų138124.5 Ų124.585%0.84779%0.794SS**  trans-100.2-167.7-176.9-36.80000110.9
514P47.9Very low34.7Very low111 Ų111123.8 Ų123.872%0.72179%0.791SS**  -77.4-171.7-112.242.8-28.2000114.4
515P43.1Very low35.2Very low121 Ų121128.3 Ų128.379%0.78679%0.793SS**  cis-142-178.619.942.3-20.2000119.4
516S35.7Very low35.6Very low112 Ų112130.4 Ų130.478%0.78380%0.798SS**  trans-51.2157.4176.6-38.40000115
517P43.5Very low35.9Very low130 Ų130129.5 Ų129.584%0.84480%0.798SS**  -130.8-178.453.136-15.9000113.1
518A31.7Very low37Very low87 Ų87130 Ų13072%0.71980%0.795SS**  cis-156.2173.53000000114.5A520A518-A520 VanDerWaalsContact C-N 3.27Å; A518-A520 PolarHBondContact O-N 3.05Å
519L35.8Very low38.1Very low167 Ų167130 Ų13087%0.87479%0.786SS**  trans-74.942.8-165.8-60.1170.5000116.1
520A40.3Very low39.1Very low101 Ų101130.6 Ų130.684%0.83578%0.782SS**SBendtrans-95.3-12.9-177.800000115.1A518A518-A520 VanDerWaalsContact C-N 3.27Å; A518-A520 PolarHBondContact O-N 3.05Å
521S37.3Very low40.1Very low103 Ų103132.7 Ų132.772%0.7278%0.78SS**SBendtrans-111.6-2.6-167-154.50000116.1
522I40Very low41.2Very low152 Ų152124.6 Ų124.678%0.77976%0.758SS**SBendtrans-107.124.9-173.9-44.8175.6000112.4
523L35.7Very low42.3Very low178 Ų178125.5 Ų125.593%0.93274%0.743SS**SBendtrans-120.16.1169.7-68.5177.8000113.8
524S44.3Very low43.1Very low100 Ų100125.1 Ų125.170%0.69974%0.735SS**SBendtrans-100.3-14.5-173.4-173.50000115.5
525R39.7Very low42.9Very low228 Ų228124.9 Ų124.986%0.8673%0.728SS**  trans-14784.5-177-65.9-167.6-176.7-158.81114.8
526V39.2Very low43Very low126 Ų126122.4 Ų122.476%0.76472%0.717SS**  trans-142.9103.8150.2-176.50000108.5I528V526-I528 HydrophobicContact CG1-CG1 4.05Å
527D37.1Very low43.1Very low158 Ų158123.4 Ų123.485%0.84571%0.713SS**  trans-74.2123.1165.3-78.1-69.4000109.4T529D527-T529 PolarHBondContact O-N 2.81Å
528I50.4Low43Very low131 Ų131120.9 Ų120.967%0.67270%0.699SS**  trans-99.690.8-173-59.3170.5000109.9V526 I533V526-I528 HydrophobicContact CG1-CG1 4.05Å; I528-I533 HydrophobicContact CG2-CD1 4Å
529T50.5Low43.3Very low92 Ų92124.9 Ų124.956%0.56470%0.7SS**  trans-83.4130.7171.4-46.70000109.9D527 E531 G532D527-T529 PolarHBondContact O-N 2.81Å; T529-E531 PolarHBondContact O-N 3.04Å; T529-E531 VanDerWaalsContact O-N 3.07Å; T529-G532 PolarHBondContact O-N 3.07Å
530P47.6Very low43.5Very low101 Ų101122.9 Ų122.966%0.65670%0.695SS**Hα-helixtrans-63.4-19.8-170.622.3-33.8000115.4G532P530-G532 VanDerWaalsContact C-N 3.35Å
531E51.8Low43.4Very low157 Ų157125.4 Ų125.473%0.73470%0.695SS**Hα-helixtrans-67.4-32.3174.4-63.8-95.4133.700112.4T529 I533 L534 N535T529-E531 PolarHBondContact O-N 3.04Å; T529-E531 VanDerWaalsContact O-N 3.07Å; E531-I533 VanDerWaalsContact C-N 3.33Å; E531-I533 PolarHBondContact O-N 3.24Å; E531-L534 PolarHBondContact O-N 3.28Å; E531-N535 PolarHBondContact O-N 3.46Å
532G52.6Low43Very low46 Ų46126.8 Ų126.847%0.47470%0.699SS.*Hα-helixtrans-68-30.5-176.100000113.8T529 P530 N535 A536T529-G532 PolarHBondContact O-N 3.07Å; P530-G532 VanDerWaalsContact C-N 3.35Å; G532-N535 PolarHBondContact O-N 3.02Å; G532-A536 PolarHBondContact O-N 2.67Å
533I52.4Low43Very low97 Ų97125.6 Ų125.650%0.49770%0.701SS.*Hα-helixtrans-71-36.7-179.4-58.8173.4000110.8I528 E531 A536 L537I528-I533 HydrophobicContact CG2-CD1 4Å; E531-I533 VanDerWaalsContact C-N 3.33Å; E531-I533 PolarHBondContact O-N 3.24Å; I533-A536 PolarHBondContact O-N 3.24Å; I533-L537 PolarHBondContact O-N 3.07Å
534L48.5Very low42.6Very low130 Ų130121.1 Ų121.168%0.68170%0.697SS**Hα-helixtrans-73.1-29.9178-69.3173.4000112.6E531E531-L534 PolarHBondContact O-N 3.28Å
535N44.3Very low41.8Very low105 Ų105121 Ų12156%0.56170%0.696SS**Hα-helixtrans-81.9-15.9176.6-155.727.7000113.6E531 G532 S538E531-N535 PolarHBondContact O-N 3.46Å; G532-N535 PolarHBondContact O-N 3.02Å; N535-S538 PolarHBondContact O-OG 2.98Å; N535-S538 VanDerWaalsContact O-OG 3.11Å; N535-S538 PolarHBondContact OD1-OG 3.22Å
536A44.3Very low41.4Very low69 Ų69119.5 Ų119.557%0.5770%0.698SS**Hα-helixtrans-78.9-30171.700000112.5G532 I533 S538G532-A536 PolarHBondContact O-N 2.67Å; I533-A536 PolarHBondContact O-N 3.24Å; A536-S538 VanDerWaalsContact C-N 3.35Å
537L37.6Very low41.1Very low133 Ų133119.2 Ų119.270%0.69669%0.691SS**THydrogen-bonded Turntrans-81.5-9.2179.4-71.9167.9000114.1I533I533-L537 PolarHBondContact O-N 3.07Å
538S42.7Very low40.9Very low78 Ų78120.3 Ų120.355%0.54569%0.689SS.*THydrogen-bonded Turntrans-94.7-0.5-178.361.10000114.5N535 A536N535-S538 PolarHBondContact O-OG 2.98Å; N535-S538 VanDerWaalsContact O-OG 3.11Å; N535-S538 PolarHBondContact OD1-OG 3.22Å; A536-S538 VanDerWaalsContact C-N 3.35Å
539K38Very low40.1Very low171 Ų171120.8 Ų120.874%0.74370%0.698SS**SBendtrans-12633.1-172.3-73-169.9174.9-176.80115.7
540T39.3Very low39Very low125 Ų125119.7 Ų119.777%0.76771%0.705SS**  trans-134.269.4167.658.40000112.1
541N38Very low38.2Very low154 Ų154123 Ų12382%0.82472%0.716SS**  trans-156.4118.5161-167.17000111.2
542T29.6Very low37.3Very low131 Ų131121.9 Ų121.980%0.80473%0.726SS**  trans142.4156.5165.744.10000110.1
543P39.9Very low36.1Very low128 Ų128125.3 Ų125.383%0.83174%0.742SS**  cis-131.5157.1-46.536.9-22.1000112.3
544G27.1Very low35.1Very low83 Ų83128.4 Ų128.486%0.85676%0.759SS**  trans-162.8105.6174.800000111.8
545C27.9Very low34.2Very low98 Ų98129.6 Ų129.666%0.66277%0.765SS**  trans-87.1140.5-172.4-177.50000112.2
546H31.3Very low33.6Very low196 Ų196133.3 Ų133.391%0.90778%0.779SS**  trans-153148.4132.9-100.7-75.5000109.9
547L32.7Very low32.8Very low120 Ų120137.2 Ų137.263%0.62879%0.789SS**  trans-102.6143.9-159.6-81.3120.4000114.7
548K33.4Very low32.5Very low181 Ų181136.3 Ų136.379%0.78779%0.789SS**  trans65.8147.3149.6-66.3168.7-178.9179.50115.1
549T33.3Very low32.1Very low142 Ų142138.5 Ų138.587%0.87180%0.801SS**  cis-160.3152.919.5-120000109.2
550G27.6Very low31.7Very low68 Ų68137.2 Ų137.270%0.70181%0.808SS**  trans135.2134.7156.600000117.1
551L29.7Very low31.2Very low172 Ų172135 Ų13590%0.90181%0.809SS**  trans66.676.8158.1-49-176.7000118.8
552S32.4Very low30.8Very low133 Ų133133.7 Ų133.793%0.9381%0.813SS**  trans-16678.6131.9-83.60000111
553S29Very low30.8Very low117 Ų117132.7 Ų132.782%0.81881%0.811SS**  trans-138.382.9163.8174.50000108.1
554L31.2Very low30.3Very low163 Ų163133.5 Ų133.585%0.85381%0.808SS**  trans-155.6139.1170-147.454.4000110.3
555L29.8Very low30.5Very low154 Ų154137 Ų13781%0.80681%0.807SS**  trans72.973.4170.2-52.8174.4000118.1
556Q30.3Very low30.4Very low184 Ų184135.7 Ų135.786%0.8681%0.81SS**  -105.5169.8120.2-69.4-171.6-8.700108.5
557I27.5Very low30.3Very low151 Ų151134 Ų13477%0.77481%0.808SS**  trans83.1128.3177.3-54.1165000113.2
558T32.5Very low29.9Very low114 Ų114137 Ų13770%0.69982%0.816SS**  cis-161170.2-16.224.50000107.8
559P33.3Very low29.8Very low123 Ų123135.5 Ų135.580%0.79982%0.816SS**  trans-61.9142161.4-12.527.7000110.8
560T29.6Very low29.5Very low145 Ų145131.9 Ų131.989%0.8981%0.807SS**  trans-80.6140.2177.740.20000112
561G28.4Very low29.6Very low77 Ų77134.4 Ų134.479%0.79481%0.814SS**  trans-112.3146.7157.500000108.9
562S30.1Very low29.7Very low128 Ų128131 Ų13190%0.89581%0.805SS**  trans-122.6132170-162.70000108.5
563S29.8Very low29.7Very low110 Ų110130.2 Ų130.277%0.76980%0.799SS**  trans-97.7150.9-175-63.50000111.5
564N29.5Very low29.9Very low144 Ų144129.1 Ų129.177%0.7779%0.792SS**  trans-159.2128.9135.4-102.9-18.6000112.6
565N30.5Very low30Very low156 Ų156131.6 Ų131.683%0.83479%0.79SS**  trans54.8136.2150.6-56.1-16.7000121.9
566G27.7Very low30.1Very low71 Ų71133.7 Ų133.773%0.73279%0.793SS**  trans144.362.7158.100000118.7
567D27.4Very low30.1Very low160 Ų160128 Ų12886%0.85678%0.783SS**  trans32.9124.3140.2-66.2-37.8000124.5
568F25.6Very low30.2Very low183 Ų183126 Ų12680%0.80379%0.789SS**  83.1130128.6-137.3-128.7000122.8
569L30.4Very low30Very low151 Ų151124.6 Ų124.679%0.79180%0.797SS**  trans66.4137.7168.4-49.9177.2000118.5
570G27.8Very low29.9Very low66 Ų66128.4 Ų128.468%0.6880%0.801SS**  cis166.9144.9-8.900000113.1
571S29.2Very low30Very low120 Ų120133.3 Ų133.384%0.83980%0.804SS**  trans62.7154.2165.8-80.60000120.1
572S32.9Very low30Very low101 Ų101134.4 Ų134.471%0.70680%0.799SS**  cis-174159.7-25.1-100.10000109
573S31.5Very low29.9Very low116 Ų116132.6 Ų132.681%0.81179%0.787SS**  trans67.7146.7164.3-75.10000118.8
574S32Very low30Very low95 Ų95133.3 Ų133.366%0.66479%0.787SS**  cis-164.6125-12.644.50000109.9
575R34.3Very low30Very low215 Ų215135.4 Ų135.481%0.81179%0.789SS**  66.2107.8106.1-63.6-171-170.4-169.95.9116
576F32.2Very low30Very low198 Ų198135 Ų13587%0.86879%0.786SS**  88.7149.3101.2-77.5-55.5000113.3
577G30Very low30Very low63 Ų63138 Ų13865%0.64979%0.785SS**  cis-160.9145.8-4.600000108.8
578A30.7Very low30.2Very low110 Ų110136.6 Ų136.691%0.90978%0.778SS**  67.9106.383.400000115
579G27.6Very low30.4Very low85 Ų85135.7 Ų135.788%0.87678%0.776SS**  trans-165.2118.817100000111.8
580K31.7Very low30.5Very low203 Ų203134.7 Ų134.788%0.88377%0.771SS**  trans-104170.2-175.1-91.5-178.81741760112.2
581R30.7Very low30.7Very low247 Ų247138.4 Ų138.493%0.93278%0.775SS**  trans87.7147.3166.2-53.1-179.8-170.5-154.43.5113.8
582S28.6Very low30.9Very low100 Ų100139.9 Ų139.970%0.69977%0.77SS**  cis-172.5164.1-16.9173.90000109.2
583S28.4Very low31Very low91 Ų91146.2 Ų146.264%0.63678%0.779SS**  trans84128.8151.2-11.10000121.1
584T31Very low31Very low125 Ų125150.2 Ų150.277%0.76778%0.781SS**  trans59.2111.4136.951.40000119.8
585K30.2Very low30.9Very low187 Ų187154.8 Ų154.881%0.81379%0.792SS**  86.8105.776.9-91.5-168.3174.6-176.20114.4
586L30.3Very low30.7Very low147 Ų147150.7 Ų150.777%0.7779%0.791SS**  trans52.5117.7132.6-59.9173.8000121.3
587N28.5Very low30.6Very low135 Ų135145.9 Ų145.972%0.72278%0.782SS**  100.1141.8128.8-80.944.9000122.8
588D29.9Very low30.7Very low131 Ų131148.3 Ų148.370%0.70179%0.789SS**  trans72.5108.6157.7-76.5-119000122.8
589E31.3Very low30.9Very low164 Ų164148.4 Ų148.477%0.76678%0.783SS**  67.1115.4126.4-64.8-63.990.500124
590D31.5Very low32Very low130 Ų130150.5 Ų150.570%0.69578%0.781SS**  trans72.2112.5131-155.212.4000121.7
591L32.3Very low31.8Very low143 Ų143144.7 Ų144.775%0.74978%0.779SS**  -163122121.7-152.364.1000114.8
592M34Very low31.8Very low152 Ų152136.5 Ų136.575%0.74977%0.771SS**  trans40.2120151.8-66.6-166.8-171.200122.5
593R34.8Very low31.9Very low234 Ų234139.4 Ų139.488%0.88378%0.779SS**  -178101.596.4-98.5-171.8-178.7-167.41.9114.6
594K30.4Very low32.2Very low199 Ų199141.9 Ų141.987%0.86578%0.784SS**  44.395118.6-159.5172.9-169.7172.80118.7
595Q31.8Very low32.3Very low192 Ų192144.9 Ų144.990%0.89779%0.787SS**  -154.4142.3115.4-109.5-167-4.300113.4
596V29.3Very low32.3Very low128 Ų128140.2 Ų140.278%0.77678%0.783SS**  trans-105.7151.8-177.5174.30000105.9
597S30.8Very low32.4Very low98 Ų98144.7 Ų144.769%0.68579%0.79SS**  cis-164.4133.438.91.10000107.7
598S31.1Very low32.6Very low113 Ų113145.4 Ų145.479%0.7979%0.793SS**  73.8120.583.782.10000117.7
599S35.1Very low32.8Very low112 Ų112143.4 Ų143.478%0.78379%0.79SS**  trans-63.5-178.3146.2-67.10000110.6
600P49.9Very low32.9Very low130 Ų130147.3 Ų147.384%0.84480%0.797SS**  cis-136.8-164.813.539.4-16.5000114.9
601G28.6Very low33.1Very low81 Ų81145.8 Ų145.884%0.83580%0.803SS**  trans-99.9-177.1-174.700000116.2
602G31.2Very low33.3Very low75 Ų75146.3 Ų146.377%0.77381%0.806SS**  trans163101.8172.800000116
603D30.7Very low33.5Very low160 Ų160143.4 Ų143.486%0.85681%0.806SS**  trans67.4159.9140.9-107.4-54.3000125.4
604L34.1Very low33.5Very low144 Ų144139.7 Ų139.775%0.75480%0.798SS**  trans78.6100.9160.1-68.3160000123.4
605K31.8Very low33.8Very low188 Ų188138.8 Ų138.882%0.81779%0.79SS**  75.5108.1110.6-162.2170.4-176.61780122.6
606A30.9Very low34Very low88 Ų88138.8 Ų138.873%0.72778%0.782SS**  trans84.7159.9135.500000122.7
607R33.4Very low34.6Very low242 Ų242139.5 Ų139.591%0.91378%0.78SS**  trans74.5118.7-179.1-67.3174.1154.7169-8.9115
608N31.9Very low34.9Very low149 Ų149140.1 Ų140.180%0.79779%0.785SS**  cis99.7135.233.1-171.132.3000113.1
609S33.6Very low35.3Very low90 Ų90139.6 Ų139.663%0.62979%0.787SS**  trans98.2111.2159.4-330000120.5
610R33.4Very low35.3Very low245 Ų245137.8 Ų137.893%0.92579%0.786SS**  49.3120.1126.1-74.5178.7163.5152.2-5.2122.5
611A36.5Very low34.8Very low99 Ų99136.6 Ų136.682%0.81878%0.781SS**  175.9132.8110.800000107.3
612L35.9Very low35.7Very low154 Ų154143.9 Ų143.981%0.80678%0.783SS**  cis77.382.113.7-138.1173.1000117E614L612-E614 HydrophobicContact CD2-CG 4.46Å
613A38.2Very low36.5Very low91 Ų91153.8 Ų153.875%0.75281%0.805SS**  trans-156.7110.8149.600000105.1
614E34.9Very low36.8Very low155 Ų155153.5 Ų153.572%0.72480%0.802SS**  39.5118.768.8-74-147.1175.200112.2L612L612-E614 HydrophobicContact CD2-CG 4.46Å
615R36.8Very low37Very low180 Ų180153.9 Ų153.968%0.67981%0.805SS**  -178.914956.1-128.6176.1-174-163.81.6111.1
616R36.1Very low37.3Very low193 Ų193152.1 Ų152.173%0.72880%0.804SS**  trans58.5151139.2-79.3177.7180-169.5-3119.5
617L41.7Very low37.6Very low143 Ų143155.8 Ų155.875%0.74981%0.808SS**  cis-150.9137.92-95.9146.1000106.6
618S36.8Very low37.9Very low111 Ų111150.4 Ų150.478%0.77680%0.802SS**  72.8136.193.5-159.80000118.7
619A39.3Very low38.3Very low101 Ų101150.5 Ų150.584%0.83580%0.802SS**  trans91.6143.5155.600000121.6
620G35.2Very low38.6Very low74 Ų74154.9 Ų154.976%0.76382%0.815SS**  trans94.193.616600000115.2
621S40.6Very low39Very low105 Ų105147.9 Ų147.973%0.73481%0.806SS**  79.6112.453.4-163.10000114.9
622R47.2Very low39.2Very low234 Ų234152 Ų15288%0.88381%0.805SS**  trans57.3106.6158.7-59.1174.5-173.7-164.71.2118.9
623K48.2Very low39.6Very low283 Ų283151.8 Ų151.8100%1.2381%0.805SS**  -160.8091-109.9178.4177.4178.80111.4

Retrieved 623 of 623 residues in 977.4 ms (Link to these results)

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