G4V6X1_SCHMA Loading...

Sh3 domain grb2-like protein B1 (Endophilin B1)

AlphaFold DB , UniProt , Accession G4V6X1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M53.3Low74Confident228 Ų228114.3 Ų114.3100%1.12360%0.602SS**  0113.90-82.9-170.1-95.400107.3
2D74.5Confident74.6Confident121 Ų121108.3 Ų108.365%0.64757%0.574SS**  trans-85.5118.9-168.3-124.8-39.5000110.8K4 K5 I6D2-K4 PolarHBondContact O-N 3.35Å; D2-K4 VanDerWaalsContact O-N 3.14Å; D2-K5 HydrophobicContact CB-CB 4.25Å; D2-K5 WeakPolarHBondContact O-CB 3.44Å; D2-K5 PolarHBondContact O-N 2.84Å; D2-I6 PolarHBondContact O-N 3.13Å
3A79.6Confident74.9Confident76 Ų76110.2 Ų110.263%0.62858%0.575SS**Hα-helixtrans-55.7-34.1-177.300000112.6K5 I6 Q7A3-K5 VanDerWaalsContact C-N 3.34Å; A3-K5 PolarHBondContact O-N 3.19Å; A3-I6 PolarHBondContact O-N 2.83Å; A3-Q7 PolarHBondContact O-N 3.33Å
4K74.3Confident75.1Confident169 Ų169111.5 Ų111.574%0.73557%0.574SS**Hα-helixtrans-62.1-38.9175.5-69.7-175.6177.8179.30112.7D2 A8D2-K4 PolarHBondContact O-N 3.35Å; D2-K4 VanDerWaalsContact O-N 3.14Å; K4-A8 WeakPolarHBondContact O-CB 3.38Å; K4-A8 PolarHBondContact O-N 3.39Å
5K76.3Confident75.3Confident143 Ų143105.1 Ų105.162%0.62255%0.546SS*.Hα-helixtrans-68.3-44.7178.3-174176.8178.2178.60110.8D2 A3 Q7 A8 D9D2-K5 HydrophobicContact CB-CB 4.25Å; D2-K5 WeakPolarHBondContact O-CB 3.44Å; D2-K5 PolarHBondContact O-N 2.84Å; A3-K5 VanDerWaalsContact C-N 3.34Å; A3-K5 PolarHBondContact O-N 3.19Å; K5-Q7 VanDerWaalsContact C-N 3.33Å; K5-Q7 PolarHBondContact O-N 3.19Å; K5-A8 PolarHBondContact O-N 2.78Å; K5-D9 VanDerWaalsContact O-CG 3.32Å; K5-D9 PolarHBondContact O-N 2.99Å
6I74.1Confident76Confident94 Ų94102.2 Ų102.248%0.48253%0.526SS..Hα-helixtrans-57.4-48.5175.8-62.5173.2000110D2 A3 A8 D9 T10D2-I6 PolarHBondContact O-N 3.13Å; A3-I6 PolarHBondContact O-N 2.83Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.41Å; I6-D9 PolarHBondContact O-N 3.02Å; I6-T10 WeakPolarHBondContact O-CB 3.41Å; I6-T10 PolarHBondContact O-N 3.17Å; I6-T10 PolarHBondContact O-OG1 3.08Å
7Q73.2Confident76.3Confident124 Ų124103.2 Ų103.258%0.57953%0.526SS*.Hα-helixtrans-60.2-41.4178.7-170.7-179.913.100112.6A3 K5 N11A3-Q7 PolarHBondContact O-N 3.33Å; K5-Q7 VanDerWaalsContact C-N 3.33Å; K5-Q7 PolarHBondContact O-N 3.19Å; Q7-N11 WeakPolarHBondContact O-CB 3.31Å; Q7-N11 VanDerWaalsContact O-CG 3.24Å; Q7-N11 PolarHBondContact O-N 3.12Å; Q7-N11 PolarHBondContact O-ND2 3.41Å
8A75.4Confident76.4Confident51 Ų51100.6 Ų100.642%0.42152%0.519SS..Hα-helixtrans-66.1-43.6177.600000112.5K4 K5 I6 N11 T12K4-A8 WeakPolarHBondContact O-CB 3.38Å; K4-A8 PolarHBondContact O-N 3.39Å; K5-A8 PolarHBondContact O-N 2.78Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.41Å; A8-N11 PolarHBondContact O-N 2.92Å; A8-T12 WeakPolarHBondContact O-CB 3.39Å; A8-T12 PolarHBondContact O-N 3.21Å; A8-T12 PolarHBondContact O-OG1 2.86Å
9D76.4Confident76.7Confident95 Ų9595.6 Ų95.651%0.50849%0.493SS..Hα-helixtrans-63.9-42.9176.9-68.7-19.8000110.7K5 I6 T12 F13K5-D9 VanDerWaalsContact O-CG 3.32Å; K5-D9 PolarHBondContact O-N 2.99Å; I6-D9 PolarHBondContact O-N 3.02Å; D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 3.06Å; D9-F13 PolarHBondContact O-N 2.98Å
10T77.1Confident76.6Confident57 Ų5795 Ų9535%0.3549%0.489SS..Hα-helixtrans-62-47175.7-62.40000112.1I6 T12 F13 F14I6-T10 WeakPolarHBondContact O-CB 3.41Å; I6-T10 PolarHBondContact O-N 3.17Å; I6-T10 PolarHBondContact O-OG1 3.08Å; T10-T12 VanDerWaalsContact C-N 3.26Å; T10-T12 PolarHBondContact O-N 3.33Å; T10-F13 PolarHBondContact O-N 3.47Å; T10-F14 HydrophobicContact CG2-CD2 3.53Å; T10-F14 HydrophobicContact CG2-CE2 3.22Å; T10-F14 HydrophobicContact CG2-CZ 4.36Å; T10-F14 WeakPolarHBondContact O-CD2 3.22Å; T10-F14 PolarHBondContact O-N 3.33Å
11N80.1Confident76.5Confident99 Ų9992.8 Ų92.853%0.52948%0.48SS..Hα-helixtrans-60.6-38.1176-75.9-16.6000111.9Q7 A8 G15Q7-N11 WeakPolarHBondContact O-CB 3.31Å; Q7-N11 VanDerWaalsContact O-CG 3.24Å; Q7-N11 PolarHBondContact O-N 3.12Å; Q7-N11 PolarHBondContact O-ND2 3.41Å; A8-N11 PolarHBondContact O-N 2.92Å; N11-G15 PolarHBondContact O-N 3.25Å
12T80.7Confident77.6Confident42 Ų4283.7 Ų83.726%0.25844%0.435SS..Hα-helixtrans-65.4-46.5177.3-57.10000110.8A8 D9 T10 G15 R16A8-T12 WeakPolarHBondContact O-CB 3.39Å; A8-T12 PolarHBondContact O-N 3.21Å; A8-T12 PolarHBondContact O-OG1 2.86Å; D9-T12 WeakPolarHBondContact O-CB 3.29Å; D9-T12 PolarHBondContact O-N 3.06Å; T10-T12 VanDerWaalsContact C-N 3.26Å; T10-T12 PolarHBondContact O-N 3.33Å; T12-G15 PolarHBondContact O-N 2.97Å; T12-R16 WeakPolarHBondContact O-CG 3.4Å; T12-R16 PolarHBondContact O-N 2.93Å
13F78.4Confident77.7Confident134 Ų13479.4 Ų79.459%0.58841%0.411SS*.Hα-helixtrans-59.8-47.9176.6-176.3-92.2000112.3D9 T10 G15 R16 F17D9-F13 PolarHBondContact O-N 2.98Å; T10-F13 PolarHBondContact O-N 3.47Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 3.46Å; F13-R16 PolarHBondContact O-N 2.98Å; F13-F17 PolarHBondContact O-N 3.25Å
14F78.5Confident77.4Confident128 Ų12880 Ų8056%0.56142%0.415SS*.Hα-helixtrans-61.8-39.4175.8-77-60.4000112.3T10 R16 F17 S18T10-F14 HydrophobicContact CG2-CD2 3.53Å; T10-F14 HydrophobicContact CG2-CE2 3.22Å; T10-F14 HydrophobicContact CG2-CZ 4.36Å; T10-F14 WeakPolarHBondContact O-CD2 3.22Å; T10-F14 PolarHBondContact O-N 3.33Å; F14-R16 VanDerWaalsContact C-N 3.35Å; F14-R16 PolarHBondContact O-N 2.92Å; F14-F17 PolarHBondContact O-N 2.95Å; F14-S18 WeakPolarHBondContact O-CB 3.33Å; F14-S18 PolarHBondContact O-N 3.25Å
15G77.6Confident77.5Confident16 Ų1679.6 Ų79.617%0.16541%0.414CS..Hα-helixtrans-62.3-40.417500000112.8N11 T12 F13 S18 Q19N11-G15 PolarHBondContact O-N 3.25Å; T12-G15 PolarHBondContact O-N 2.97Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 3.46Å; G15-S18 PolarHBondContact O-N 3.48Å; G15-Q19 PolarHBondContact O-N 2.91Å; G15-Q19 VanDerWaalsContact O-N 3.13Å
16R87.2Confident77.4Confident58 Ų5875.9 Ų75.922%0.21942%0.416CS..Hα-helixtrans-65.5-43.8174.1-70.9178-171.2159.64.8111.6T12 F13 F14 S18 Q19 I20 N164 L167 D168T12-R16 WeakPolarHBondContact O-CG 3.4Å; T12-R16 PolarHBondContact O-N 2.93Å; F13-R16 PolarHBondContact O-N 2.98Å; F14-R16 VanDerWaalsContact C-N 3.35Å; F14-R16 PolarHBondContact O-N 2.92Å; R16-S18 PolarHBondContact O-N 3.44Å; R16-Q19 PolarHBondContact O-N 3.41Å; R16-I20 WeakPolarHBondContact O-CG1 3.44Å; R16-I20 PolarHBondContact O-N 2.88Å; R16-N164 VanDerWaalsContact CD-OD1 3.26Å; R16-N164 WeakPolarHBondContact CD-OD1 3.18Å; R16-N164 VanDerWaalsContact NH1-CG 3.29Å; R16-N164 PolarHBondContact NH1-OD1 2.84Å; R16-L167 HydrophobicContact CB-CB 4.33Å; R16-L167 HydrophobicContact CB-CD1 4.1Å; R16-L167 HydrophobicContact CG-CB 4.04Å; R16-L167 HydrophobicContact CG-CD1 4.45Å; R16-D168 WeakPolarHBondContact CG-OD1 3.3Å; R16-D168 IonicContact CZ-OD1 3.4Å; R16-D168 IonicContact CZ-OD2 3.56Å; R16-D168 IonicContact NE-OD1 3.39Å; R16-D168 PolarHBondContact NE-OD1 3.4Å; R16-D168 VanDerWaalsContact NE-OD1 3.12Å; R16-D168 IonicContact NE-OD2 2.99Å; R16-D168 PolarHBondContact NE-OD2 2.9Å; R16-D168 IonicContact NH2-OD1 3.59Å; R16-D168 IonicContact NH2-OD2 2.86Å; R16-D168 PolarHBondContact NH2-OD2 2.74Å
17F80Confident77.1Confident119 Ų11975.7 Ų75.752%0.52242%0.42SS..Hα-helixtrans-59.8-44.9175.6-177.2-97000111.8F13 F14 Q19 I20 V21F13-F17 PolarHBondContact O-N 3.25Å; F14-F17 PolarHBondContact O-N 2.95Å; F17-Q19 VanDerWaalsContact C-N 3.3Å; F17-Q19 PolarHBondContact O-N 3.49Å; F17-I20 WeakPolarHBondContact O-CB 3.28Å; F17-I20 PolarHBondContact O-N 3.35Å; F17-V21 HydrophobicContact CD1-CG2 4.13Å; F17-V21 HydrophobicContact CE1-CG2 3.71Å; F17-V21 HydrophobicContact CE2-CG2 4.46Å; F17-V21 HydrophobicContact CZ-CG2 3.9Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 2.93Å
18S79.1Confident77Confident57 Ų5770.9 Ų70.940%0.39940%0.399SS..Hα-helixtrans-57.4-43.4175.3-168.50000111.7F14 G15 R16 V21 E22F14-S18 WeakPolarHBondContact O-CB 3.33Å; F14-S18 PolarHBondContact O-N 3.25Å; G15-S18 PolarHBondContact O-N 3.48Å; R16-S18 PolarHBondContact O-N 3.44Å; S18-V21 PolarHBondContact O-N 3.33Å; S18-E22 WeakPolarHBondContact O-CG 3.35Å; S18-E22 PolarHBondContact O-N 3.38Å
19Q81.1Confident76.9Confident5 Ų574.8 Ų74.82%0.02341%0.408CS..Hα-helixtrans-64.2-42.1177.8-175.359.940.700112.1G15 R16 F17 V21 E22 E23 T28 L167 D170G15-Q19 PolarHBondContact O-N 2.91Å; G15-Q19 VanDerWaalsContact O-N 3.13Å; R16-Q19 PolarHBondContact O-N 3.41Å; F17-Q19 VanDerWaalsContact C-N 3.3Å; F17-Q19 PolarHBondContact O-N 3.49Å; Q19-V21 VanDerWaalsContact C-N 3.31Å; Q19-V21 PolarHBondContact O-N 2.89Å; Q19-E22 PolarHBondContact O-N 3.29Å; Q19-E23 PolarHBondContact NE2-OE1 2.84Å; Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.41Å; Q19-T28 PolarHBondContact NE2-OG1 3.44Å; Q19-T28 VanDerWaalsContact NE2-OG1 3.13Å; Q19-L167 HydrophobicContact CB-CD2 4.04Å; Q19-L167 HydrophobicContact CG-CD2 3.8Å; Q19-D170 HydrophobicContact CG-CB 4.15Å
20I75.6Confident77.4Confident83 Ų8376.3 Ų76.343%0.42641%0.407SS..Hα-helixtrans-58-45.1174.2-67.2168.4000110.9R16 F17 E23 A24 L167R16-I20 WeakPolarHBondContact O-CG1 3.44Å; R16-I20 PolarHBondContact O-N 2.88Å; F17-I20 WeakPolarHBondContact O-CB 3.28Å; F17-I20 PolarHBondContact O-N 3.35Å; I20-E23 PolarHBondContact O-N 3.46Å; I20-A24 WeakPolarHBondContact O-CB 3.43Å; I20-A24 PolarHBondContact O-N 2.94Å; I20-L167 HydrophobicContact CD1-CD1 3.84Å; I20-L167 HydrophobicContact CG1-CD1 3.82Å; I20-L167 HydrophobicContact CG1-CD2 3.58Å; I20-L167 HydrophobicContact CG1-CG 4.38Å
21V74.7Confident77.8Confident49 Ų4974.6 Ų74.630%0.29740%0.396SS..Hα-helixtrans-64.6-45.9179.2173.20000110.5F17 S18 Q19 E23 A24 F25F17-V21 HydrophobicContact CD1-CG2 4.13Å; F17-V21 HydrophobicContact CE1-CG2 3.71Å; F17-V21 HydrophobicContact CE2-CG2 4.46Å; F17-V21 HydrophobicContact CZ-CG2 3.9Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 2.93Å; S18-V21 PolarHBondContact O-N 3.33Å; Q19-V21 VanDerWaalsContact C-N 3.31Å; Q19-V21 PolarHBondContact O-N 2.89Å; V21-E23 VanDerWaalsContact C-N 3.32Å; V21-E23 PolarHBondContact O-N 3.06Å; V21-A24 PolarHBondContact O-N 3.31Å; V21-A24 VanDerWaalsContact O-N 3.17Å; V21-F25 HydrophobicContact CG1-CD2 3.66Å; V21-F25 HydrophobicContact CG1-CE2 3.55Å; V21-F25 WeakPolarHBondContact O-CD2 3.31Å; V21-F25 PolarHBondContact O-N 3.42Å
22E75.5Confident78.2Confident38 Ų3874.6 Ų74.618%0.17841%0.405CS..Hα-helixtrans-62.6-36.1178.2-73.5-172.5-176.200113S18 Q19 G26 T27 T28 R178S18-E22 WeakPolarHBondContact O-CG 3.35Å; S18-E22 PolarHBondContact O-N 3.38Å; Q19-E22 PolarHBondContact O-N 3.29Å; E22-G26 PolarHBondContact O-N 3.21Å; E22-T27 PolarHBondContact O-N 3.39Å; E22-T27 PolarHBondContact O-OG1 3.42Å; E22-T28 HydrophobicContact CB-CG2 3.85Å; E22-T28 WeakPolarHBondContact OE2-CG2 3.48Å; E22-R178 VanDerWaalsContact CD-NH2 3.3Å; E22-R178 IonicContact OE1-CZ 3.82Å; E22-R178 IonicContact OE1-NH1 3.99Å; E22-R178 PolarHBondContact OE1-NH1 3.03Å; E22-R178 IonicContact OE1-NH2 3.34Å; E22-R178 PolarHBondContact OE1-NH2 2.95Å; E22-R178 IonicContact OE2-CZ 2.71Å; E22-R178 IonicContact OE2-NH1 3.98Å; E22-R178 PolarHBondContact OE2-NH1 3.28Å; E22-R178 IonicContact OE2-NH2 3.52Å; E22-R178 PolarHBondContact OE2-NH2 2.99Å
23E77.6Confident78.7Confident31 Ų3174.3 Ų74.315%0.14540%0.399CS..Hα-helixtrans-64.9-44.3171.7-77.9174.3-145.300111.8Q19 I20 V21 F25 G26 T28 R30 R166Q19-E23 PolarHBondContact NE2-OE1 2.84Å; Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.41Å; I20-E23 PolarHBondContact O-N 3.46Å; V21-E23 VanDerWaalsContact C-N 3.32Å; V21-E23 PolarHBondContact O-N 3.06Å; E23-F25 VanDerWaalsContact C-N 3.26Å; E23-F25 PolarHBondContact O-N 2.89Å; E23-G26 PolarHBondContact O-N 3.44Å; E23-T28 PolarHBondContact N-OG1 2.92Å; E23-R30 IonicContact OE2-CZ 2.73Å; E23-R30 IonicContact OE2-NH1 3.34Å; E23-R30 PolarHBondContact OE2-NH1 3.14Å; E23-R166 VanDerWaalsContact CD-NH1 3.34Å; E23-R166 IonicContact OE1-CZ 3.92Å; E23-R166 IonicContact OE1-NH1 3.81Å; E23-R166 PolarHBondContact OE1-NH1 3.48Å; E23-R166 IonicContact OE1-NH2 3.67Å; E23-R166 PolarHBondContact OE1-NH2 2.95Å; E23-R166 IonicContact OE2-CZ 3.12Å; E23-R166 IonicContact OE2-NH1 2.65Å; E23-R166 PolarHBondContact OE2-NH1 3.17Å; E23-R166 IonicContact OE2-NH2 2.83Å; E23-R166 PolarHBondContact OE2-NH2 2.97Å
24A73.8Confident79.4Confident87 Ų8770.8 Ų70.872%0.71939%0.391SS*.Hα-helixtrans-63.3-32.3178.500000112.6I20 V21 G26I20-A24 WeakPolarHBondContact O-CB 3.43Å; I20-A24 PolarHBondContact O-N 2.94Å; V21-A24 PolarHBondContact O-N 3.31Å; V21-A24 VanDerWaalsContact O-N 3.17Å; A24-G26 VanDerWaalsContact C-N 3.29Å
25F74.8Confident80.2Confident161 Ų16169.8 Ų69.871%0.70640%0.397SS*.THydrogen-bonded Turntrans-81.5-1.8172.6-76.1-69.5000114V21 E23 T27V21-F25 HydrophobicContact CG1-CD2 3.66Å; V21-F25 HydrophobicContact CG1-CE2 3.55Å; V21-F25 WeakPolarHBondContact O-CD2 3.31Å; V21-F25 PolarHBondContact O-N 3.42Å; E23-F25 VanDerWaalsContact C-N 3.26Å; E23-F25 PolarHBondContact O-N 2.89Å; F25-T27 HydrophobicContact CB-CG2 4.23Å; F25-T27 PolarHBondContact O-N 3.05Å
26G73.9Confident81Confident65 Ų6573.9 Ų73.967%0.6742%0.415SS*.THydrogen-bonded Turntrans69.917.1179.400000114.5E22 E23 A24E22-G26 PolarHBondContact O-N 3.21Å; E23-G26 PolarHBondContact O-N 3.44Å; A24-G26 VanDerWaalsContact C-N 3.29Å
27T69Low81.5Confident91 Ų9171.2 Ų71.256%0.55841%0.405SS*.  trans-91.1-7.8-175.958.60000113.5E22 F25E22-T27 PolarHBondContact O-N 3.39Å; E22-T27 PolarHBondContact O-OG1 3.42Å; F25-T27 HydrophobicContact CB-CG2 4.23Å; F25-T27 PolarHBondContact O-N 3.05Å
28T69.9Low82.3Confident23 Ų2367.9 Ų67.914%0.14140%0.395CS..SBendtrans-135.3152178.553.70000112.2Q19 E22 E23 T174Q19-T28 PolarHBondContact NE2-OG1 3.44Å; Q19-T28 VanDerWaalsContact NE2-OG1 3.13Å; E22-T28 HydrophobicContact CB-CG2 3.85Å; E22-T28 WeakPolarHBondContact OE2-CG2 3.48Å; E23-T28 PolarHBondContact N-OG1 2.92Å; T28-T174 HydrophobicContact CG2-CG2 3.83Å
29E73.6Confident83.1Confident132 Ų13269.3 Ų69.362%0.61740%0.395SS*.PPolyproline II helixtrans-76.1137.6174.9-74.6164.4-151.800110.1K177E29-K177 IonicContact OE1-NZ 2.67Å; E29-K177 PolarHBondContact OE1-NZ 3.25Å; E29-K177 IonicContact OE2-NZ 3.51Å; E29-K177 PolarHBondContact OE2-NZ 2.94Å
30R86.7Confident83.9Confident128 Ų12870 Ų7048%0.48340%0.399SS..PPolyproline II helixtrans-96.9122.3172.2176.7173.1-175.297.96.7109E23 S32 E163E23-R30 IonicContact OE2-CZ 2.73Å; E23-R30 IonicContact OE2-NH1 3.34Å; E23-R30 PolarHBondContact OE2-NH1 3.14Å; R30-S32 PolarHBondContact O-N 3.46Å; R30-E163 IonicContact CZ-OE1 2.69Å; R30-E163 IonicContact NH1-OE1 3.2Å; R30-E163 PolarHBondContact NH1-OE1 3.36Å; R30-E163 IonicContact NH2-OE1 2.95Å; R30-E163 PolarHBondContact NH2-OE1 3Å; R30-E163 VanDerWaalsContact NH2-OE1 3.07Å; R30-E163 IonicContact NH2-OE2 3.06Å; R30-E163 PolarHBondContact NH2-OE2 3.38Å
31T86.1Confident84.9Confident20 Ų2067.5 Ų67.512%0.12339%0.386CS..PPolyproline II helixtrans-61.2120.5170.2-70.20000109.1R166 L169 D170 K173 F198T31-R166 WeakPolarHBondContact O-CD 3.47Å; T31-L169 HydrophobicContact CG2-CD2 4.33Å; T31-D170 WeakPolarHBondContact CB-OD1 3.41Å; T31-D170 PolarHBondContact N-OD1 3.39Å; T31-D170 PolarHBondContact N-OD2 3Å; T31-D170 PolarHBondContact OG1-OD1 3.45Å; T31-K173 PolarHBondContact OG1-NZ 2.88Å; T31-F198 HydrophobicContact CG2-CE1 3.8Å; T31-F198 HydrophobicContact CG2-CE2 4.42Å; T31-F198 HydrophobicContact CG2-CZ 3.68Å
32S88Confident86Confident100 Ų10070.5 Ų70.570%0.69940%0.395SS*.PPolyproline II helixtrans-78145.5177.553.10000111.1R30R30-S32 PolarHBondContact O-N 3.46Å
33Y92.3Very high87.1Confident35 Ų3570.5 Ų70.514%0.13740%0.395CS..PPolyproline II helixtrans-78.2155.1168-58.2-55.6000109.8L37 M41 L162 E163 R166 F198Y33-L37 HydrophobicContact CD1-CD2 4.22Å; Y33-M41 HydrophobicContact CD2-SD 4.34Å; Y33-M41 HydrophobicContact CE2-CE 4.48Å; Y33-L162 HydrophobicContact CD1-CD2 4.12Å; Y33-L162 HydrophobicContact CD1-CG 4.46Å; Y33-L162 HydrophobicContact CE1-CD1 4.01Å; Y33-L162 HydrophobicContact CE1-CD2 3.74Å; Y33-L162 HydrophobicContact CE1-CG 3.68Å; Y33-E163 PolarHBondContact OH-OE2 3.46Å; Y33-R166 HydrophobicContact CE1-CB 4.47Å; Y33-R166 HydrophobicContact CE1-CG 4.42Å; Y33-R166 WeakPolarHBondContact OH-CD 3.42Å; Y33-F198 HydrophobicContact CD1-CE2 4.41Å; Y33-F198 HydrophobicContact CD1-CZ 4.11Å; Y33-F198 AromaticContact CE1-CE2 3.95Å; Y33-F198 HydrophobicContact CE1-CE2 3.95Å; Y33-F198 HydrophobicContact CE1-CZ 4.1Å
34S93.2Very high88Confident60 Ų6069.3 Ų69.342%0.4239%0.391SS..PPolyproline II helixtrans-61.3152.4170.463.50000110.7D36 L37 T38S34-D36 VanDerWaalsContact C-N 3.3Å; S34-D36 PolarHBondContact O-N 3.04Å; S34-L37 PolarHBondContact O-N 3.08Å; S34-L37 VanDerWaalsContact OG-CB 3.32Å; S34-L37 WeakPolarHBondContact OG-CB 3.33Å; S34-L37 PolarHBondContact OG-N 3.17Å; S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.5Å
35P94.1Very high89.1Confident107 Ų10767.5 Ų67.570%0.69537%0.368SS*.Hα-helixtrans-55.4-44.7178.2-26.935.5000112.6L37 T38 E39P35-L37 PolarHBondContact O-N 3.29Å; P35-T38 WeakPolarHBondContact O-CB 3.39Å; P35-T38 PolarHBondContact O-N 3.42Å; P35-E39 PolarHBondContact O-N 2.71Å
36D95.9Very high90.1Very high102 Ų10264.1 Ų64.155%0.54535%0.353SS..Hα-helixtrans-59.8-45.3179.1-60.6-2.9000112.4S34 T38 E39 L40S34-D36 VanDerWaalsContact C-N 3.3Å; S34-D36 PolarHBondContact O-N 3.04Å; D36-T38 VanDerWaalsContact C-N 3.35Å; D36-E39 PolarHBondContact O-N 3.33Å; D36-L40 WeakPolarHBondContact O-CG 3.47Å; D36-L40 PolarHBondContact O-N 3.07Å
37L96.6Very high91.3Very high2 Ų262.3 Ų62.31%0.0133%0.326CS..Hα-helixtrans-66.7-40.8179.4179.857.6000110.9Y33 S34 P35 E39 L40 M41 L162 C202 T205 K206 L209Y33-L37 HydrophobicContact CD1-CD2 4.22Å; S34-L37 PolarHBondContact O-N 3.08Å; S34-L37 VanDerWaalsContact OG-CB 3.32Å; S34-L37 WeakPolarHBondContact OG-CB 3.33Å; S34-L37 PolarHBondContact OG-N 3.17Å; P35-L37 PolarHBondContact O-N 3.29Å; L37-E39 VanDerWaalsContact C-N 3.27Å; L37-E39 PolarHBondContact O-N 2.94Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-M41 HydrophobicContact CD1-CG 4.43Å; L37-M41 HydrophobicContact CG-SD 4.3Å; L37-M41 VanDerWaalsContact O-CG 3.23Å; L37-M41 WeakPolarHBondContact O-CG 3.48Å; L37-M41 PolarHBondContact O-N 3.4Å; L37-L162 HydrophobicContact CD2-CD2 3.74Å; L37-L162 HydrophobicContact CG-CD2 4.42Å; L37-C202 HydrophobicContact CD2-CB 4.14Å; L37-T205 HydrophobicContact CD1-CG2 4.37Å; L37-K206 HydrophobicContact CD1-CB 4.2Å; L37-L209 HydrophobicContact CD1-CD1 4.06Å
38T96Very high92.6Very high49 Ų4961.2 Ų61.230%0.30131%0.311SS..Hα-helixtrans-60-40.8175.7-56.90000111.2S34 P35 D36 K42S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.5Å; P35-T38 WeakPolarHBondContact O-CB 3.39Å; P35-T38 PolarHBondContact O-N 3.42Å; D36-T38 VanDerWaalsContact C-N 3.35Å; T38-K42 WeakPolarHBondContact O-CG 3.26Å; T38-K42 PolarHBondContact O-N 3.18Å
39E96.9Very high93.9Very high87 Ų8763.6 Ų63.641%0.40732%0.323SS..Hα-helixtrans-68.3-46.3177.4-169.257.9-159.600111.8P35 D36 L37 M41 K42 E43P35-E39 PolarHBondContact O-N 2.71Å; D36-E39 PolarHBondContact O-N 3.33Å; L37-E39 VanDerWaalsContact C-N 3.27Å; L37-E39 PolarHBondContact O-N 2.94Å; E39-M41 VanDerWaalsContact C-N 3.27Å; E39-M41 PolarHBondContact O-N 2.87Å; E39-K42 WeakPolarHBondContact O-CB 3.41Å; E39-K42 PolarHBondContact O-N 2.91Å; E39-K42 IonicContact OE2-NZ 2.7Å; E39-E43 HydrophobicContact CG-CG 4.32Å; E39-E43 WeakPolarHBondContact O-CB 3.42Å; E39-E43 WeakPolarHBondContact O-CG 3.33Å; E39-E43 PolarHBondContact O-N 3.31Å
40L97.7Very high95.1Very high21 Ų2163.2 Ų63.211%0.1132%0.316CS..Hα-helixtrans-58.2-38.6175.2-73.2169.3000112.5D36 L37 K42 E43 G44 K206 L209 I213D36-L40 WeakPolarHBondContact O-CG 3.47Å; D36-L40 PolarHBondContact O-N 3.07Å; L37-L40 PolarHBondContact O-N 2.85Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 2.52Å; L40-E43 PolarHBondContact O-N 3.45Å; L40-G44 PolarHBondContact O-N 2.99Å; L40-K206 HydrophobicContact CD1-CD 4.37Å; L40-K206 HydrophobicContact CD1-CG 3.53Å; L40-L209 HydrophobicContact CB-CB 4.15Å; L40-L209 HydrophobicContact CB-CD1 4.08Å; L40-I213 HydrophobicContact CD2-CD1 3.61Å
41M97.1Very high95.6Very high29 Ų2957.1 Ų57.114%0.14329%0.293CS..Hα-helixtrans-62.2-41.1175.4-72.617378.500111.9Y33 L37 E39 E45 R159 L162 L209Y33-M41 HydrophobicContact CD2-SD 4.34Å; Y33-M41 HydrophobicContact CE2-CE 4.48Å; L37-M41 HydrophobicContact CD1-CG 4.43Å; L37-M41 HydrophobicContact CG-SD 4.3Å; L37-M41 VanDerWaalsContact O-CG 3.23Å; L37-M41 WeakPolarHBondContact O-CG 3.48Å; L37-M41 PolarHBondContact O-N 3.4Å; E39-M41 VanDerWaalsContact C-N 3.27Å; E39-M41 PolarHBondContact O-N 2.87Å; M41-E45 WeakPolarHBondContact O-CB 3.47Å; M41-E45 PolarHBondContact O-N 2.94Å; M41-R159 HydrophobicContact CE-CB 4.46Å; M41-R159 HydrophobicContact CE-CG 4.08Å; M41-R159 HydrophobicContact CG-CG 4.16Å; M41-L162 HydrophobicContact SD-CD2 4.46Å; M41-L209 HydrophobicContact CB-CD1 4.41Å; M41-L209 HydrophobicContact CG-CD1 3.64Å
42K97Very high96.1Very high113 Ų11359.1 Ų59.149%0.49131%0.305SS..Hα-helixtrans-67.6-47.8176.1-69.3172.9-173.5169.20111.3T38 E39 L40 E45 K46T38-K42 WeakPolarHBondContact O-CG 3.26Å; T38-K42 PolarHBondContact O-N 3.18Å; E39-K42 WeakPolarHBondContact O-CB 3.41Å; E39-K42 PolarHBondContact O-N 2.91Å; E39-K42 IonicContact OE2-NZ 2.7Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 2.52Å; K42-E45 PolarHBondContact O-N 3.41Å; K42-K46 WeakPolarHBondContact O-CG 3.44Å; K42-K46 PolarHBondContact O-N 2.76Å
43E97.9Very high96.6Very high38 Ų3857.5 Ų57.518%0.17829%0.294CS..Hα-helixtrans-65.3-39.8-177.1-73.9-55.5110.500112.4E39 L40 K46 R47 I213E39-E43 HydrophobicContact CG-CG 4.32Å; E39-E43 WeakPolarHBondContact O-CB 3.42Å; E39-E43 WeakPolarHBondContact O-CG 3.33Å; E39-E43 PolarHBondContact O-N 3.31Å; L40-E43 PolarHBondContact O-N 3.45Å; E43-K46 PolarHBondContact O-N 3.39Å; E43-K46 WeakPolarHBondContact OE1-CD 3.42Å; E43-K46 WeakPolarHBondContact OE1-CE 3.43Å; E43-K46 IonicContact OE1-NZ 2.82Å; E43-K46 PolarHBondContact OE1-NZ 2.92Å; E43-R47 WeakPolarHBondContact O-CG 3.33Å; E43-R47 PolarHBondContact O-N 2.89Å; E43-R47 PolarHBondContact O-NH1 3.12Å; E43-R47 IonicContact OE2-CZ 3.31Å; E43-R47 IonicContact OE2-NH1 2.74Å; E43-R47 PolarHBondContact OE2-NH1 3.44Å; E43-R47 IonicContact OE2-NH2 3.12Å; E43-I213 HydrophobicContact CB-CD1 3.88Å
44G97.3Very high96.7Very high6 Ų658.6 Ų58.66%0.06230%0.301CS..Hα-helixtrans-64.8-40.3173.300000112.6L40 R47 R48L40-G44 PolarHBondContact O-N 2.99Å; G44-R47 PolarHBondContact O-N 3.45Å; G44-R48 PolarHBondContact O-N 3.21Å
45E96.1Very high96.9Very high48 Ų4856.8 Ų56.822%0.22429%0.287CS..Hα-helixtrans-64.9-42.7177.1-172.257.9-144.300112.4M41 K42 R47 R48 N49 R159M41-E45 WeakPolarHBondContact O-CB 3.47Å; M41-E45 PolarHBondContact O-N 2.94Å; K42-E45 PolarHBondContact O-N 3.41Å; E45-R47 PolarHBondContact O-N 3.17Å; E45-R48 PolarHBondContact O-N 2.94Å; E45-R48 IonicContact OE1-CZ 3.58Å; E45-R48 VanDerWaalsContact OE1-CZ 3.3Å; E45-R48 IonicContact OE1-NE 3.83Å; E45-R48 PolarHBondContact OE1-NE 3.47Å; E45-R48 VanDerWaalsContact OE1-NE 3.16Å; E45-R48 IonicContact OE1-NH2 2.6Å; E45-R48 PolarHBondContact OE1-NH2 2.88Å; E45-R48 IonicContact OE2-NE 3.07Å; E45-N49 PolarHBondContact O-N 3.3Å; E45-N49 PolarHBondContact O-ND2 2.96Å; E45-N49 VanDerWaalsContact O-ND2 3.13Å; E45-N49 PolarHBondContact OE1-ND2 3.46Å; E45-R159 IonicContact OE2-CZ 3.27Å; E45-R159 IonicContact OE2-NH1 3.05Å; E45-R159 PolarHBondContact OE2-NH1 2.86Å
46K97.6Very high96.8Very high90 Ų9053.8 Ų53.839%0.39127%0.271SS..Hα-helixtrans-56.2-51.4175.1-73.9175.4-172.8168.50111.1K42 E43 R48 N49 W50K42-K46 WeakPolarHBondContact O-CG 3.44Å; K42-K46 PolarHBondContact O-N 2.76Å; E43-K46 PolarHBondContact O-N 3.39Å; E43-K46 WeakPolarHBondContact OE1-CD 3.42Å; E43-K46 WeakPolarHBondContact OE1-CE 3.43Å; E43-K46 IonicContact OE1-NZ 2.82Å; E43-K46 PolarHBondContact OE1-NZ 2.92Å; K46-R48 PolarHBondContact O-N 2.97Å; K46-N49 PolarHBondContact O-N 3.47Å; K46-N49 VanDerWaalsContact O-N 3.12Å; K46-W50 HydrophobicContact CB-CD2 4.44Å; K46-W50 HydrophobicContact CB-CH2 4.07Å; K46-W50 HydrophobicContact CB-CZ2 3.88Å; K46-W50 HydrophobicContact CB-CZ3 4.42Å; K46-W50 HydrophobicContact CD-CH2 4.37Å; K46-W50 HydrophobicContact CD-CZ2 4.22Å; K46-W50 HydrophobicContact CG-CZ2 4.4Å; K46-W50 PolarHBondContact O-N 2.76Å
47R97.8Very high96.8Very high28 Ų2854.4 Ų54.411%0.10627%0.271CS..Hα-helixtrans-64.1-39.8-178.2-71.7165.1176.375.7-7.9112.8E43 G44 E45 N49 W50 A51 F216 D217E43-R47 WeakPolarHBondContact O-CG 3.33Å; E43-R47 PolarHBondContact O-N 2.89Å; E43-R47 PolarHBondContact O-NH1 3.12Å; E43-R47 IonicContact OE2-CZ 3.31Å; E43-R47 IonicContact OE2-NH1 2.74Å; E43-R47 PolarHBondContact OE2-NH1 3.44Å; E43-R47 IonicContact OE2-NH2 3.12Å; G44-R47 PolarHBondContact O-N 3.45Å; E45-R47 PolarHBondContact O-N 3.17Å; R47-N49 VanDerWaalsContact C-N 3.34Å; R47-N49 PolarHBondContact O-N 3.46Å; R47-W50 HydrophobicContact CB-CE3 4.45Å; R47-W50 HydrophobicContact CG-CE3 3.86Å; R47-W50 HydrophobicContact CG-CZ3 3.88Å; R47-W50 PolarHBondContact O-N 2.77Å; R47-A51 WeakPolarHBondContact O-CB 3.27Å; R47-A51 PolarHBondContact O-N 3.26Å; R47-F216 HydrophobicContact CB-CB 4.22Å; R47-F216 HydrophobicContact CB-CD1 3.88Å; R47-F216 HydrophobicContact CB-CD2 4.4Å; R47-F216 HydrophobicContact CB-CE1 4.33Å; R47-F216 HydrophobicContact CB-CG 3.9Å; R47-F216 HydrophobicContact CG-CB 4.4Å; R47-F216 HydrophobicContact CG-CD1 3.54Å; R47-F216 HydrophobicContact CG-CE1 3.98Å; R47-F216 HydrophobicContact CG-CG 4.05Å; R47-D217 IonicContact CZ-OD1 2.77Å; R47-D217 IonicContact CZ-OD2 3.86Å; R47-D217 IonicContact NE-OD1 2.59Å; R47-D217 PolarHBondContact NE-OD1 3.44Å; R47-D217 IonicContact NE-OD2 2.81Å; R47-D217 PolarHBondContact NE-OD2 3.04Å; R47-D217 IonicContact NH2-OD1 2.72Å; R47-D217 IonicContact NH2-OD2 2.96Å; R47-D217 PolarHBondContact NH2-OD2 2.82Å
48R96.8Very high96.6Very high68 Ų6855.2 Ų55.226%0.25728%0.275SS..Hα-helixtrans-56.9-48.3171.4-174.3-172.377.6733.4111.1G44 E45 K46 A51 V52 A152G44-R48 PolarHBondContact O-N 3.21Å; E45-R48 PolarHBondContact O-N 2.94Å; E45-R48 IonicContact OE1-CZ 3.58Å; E45-R48 VanDerWaalsContact OE1-CZ 3.3Å; E45-R48 IonicContact OE1-NE 3.83Å; E45-R48 PolarHBondContact OE1-NE 3.47Å; E45-R48 VanDerWaalsContact OE1-NE 3.16Å; E45-R48 IonicContact OE1-NH2 2.6Å; E45-R48 PolarHBondContact OE1-NH2 2.88Å; E45-R48 IonicContact OE2-NE 3.07Å; K46-R48 PolarHBondContact O-N 2.97Å; R48-A51 PolarHBondContact O-N 3.17Å; R48-V52 WeakPolarHBondContact O-CG2 3.37Å; R48-V52 PolarHBondContact O-N 2.91Å; R48-A152 HydrophobicContact CB-CB 4.33Å; R48-A152 HydrophobicContact CG-CB 4.02Å
49N97.5Very high96.4Very high72 Ų7254.6 Ų54.639%0.38527%0.269SS..Hα-helixtrans-67.1-39-179.5-69.4-32.4000112.3E45 K46 R47 V52 S53E45-N49 PolarHBondContact O-N 3.3Å; E45-N49 PolarHBondContact O-ND2 2.96Å; E45-N49 VanDerWaalsContact O-ND2 3.13Å; E45-N49 PolarHBondContact OE1-ND2 3.46Å; K46-N49 PolarHBondContact O-N 3.47Å; K46-N49 VanDerWaalsContact O-N 3.12Å; R47-N49 VanDerWaalsContact C-N 3.34Å; R47-N49 PolarHBondContact O-N 3.46Å; N49-V52 PolarHBondContact O-N 3.12Å; N49-S53 VanDerWaalsContact O-CB 3.32Å; N49-S53 WeakPolarHBondContact O-CB 3.5Å; N49-S53 PolarHBondContact O-N 3.25Å
50W98Very high96.1Very high124 Ų12453.6 Ų53.647%0.4727%0.266SS..Hα-helixtrans-62.5-46.6173.3-61.6-24.9000111.9K46 R47 V52 S53 I54 F216K46-W50 HydrophobicContact CB-CD2 4.44Å; K46-W50 HydrophobicContact CB-CH2 4.07Å; K46-W50 HydrophobicContact CB-CZ2 3.88Å; K46-W50 HydrophobicContact CB-CZ3 4.42Å; K46-W50 HydrophobicContact CD-CH2 4.37Å; K46-W50 HydrophobicContact CD-CZ2 4.22Å; K46-W50 HydrophobicContact CG-CZ2 4.4Å; K46-W50 PolarHBondContact O-N 2.76Å; R47-W50 HydrophobicContact CB-CE3 4.45Å; R47-W50 HydrophobicContact CG-CE3 3.86Å; R47-W50 HydrophobicContact CG-CZ3 3.88Å; R47-W50 PolarHBondContact O-N 2.77Å; W50-V52 PolarHBondContact O-N 2.83Å; W50-S53 WeakPolarHBondContact O-CB 3.37Å; W50-S53 PolarHBondContact O-N 2.93Å; W50-S53 VanDerWaalsContact O-N 3.17Å; W50-I54 WeakPolarHBondContact O-CB 3.33Å; W50-I54 VanDerWaalsContact O-CG1 3.28Å; W50-I54 WeakPolarHBondContact O-CG1 3.15Å; W50-I54 PolarHBondContact O-N 3.36Å; W50-F216 HydrophobicContact CB-CZ 4.01Å; W50-F216 AromaticContact CE3-CE1 3.87Å; W50-F216 HydrophobicContact CE3-CE1 3.87Å; W50-F216 HydrophobicContact CE3-CZ 4.24Å
51A97.6Very high95.7Very high0 Ų057.4 Ų57.40%029%0.29CS..Hα-helixtrans-59.1-45.6177.900000112.1R47 R48 S53 I54 L55 L144 Y147 I148 F216R47-A51 WeakPolarHBondContact O-CB 3.27Å; R47-A51 PolarHBondContact O-N 3.26Å; R48-A51 PolarHBondContact O-N 3.17Å; A51-S53 VanDerWaalsContact C-N 3.33Å; A51-S53 PolarHBondContact O-N 3.42Å; A51-I54 PolarHBondContact O-N 3.28Å; A51-L55 VanDerWaalsContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CB 3.46Å; A51-L55 PolarHBondContact O-N 3.44Å; A51-L144 HydrophobicContact CB-CD2 4.02Å; A51-Y147 HydrophobicContact CB-CD1 3.68Å; A51-Y147 HydrophobicContact CB-CE1 3.59Å; A51-I148 HydrophobicContact CB-CD1 4.09Å; A51-I148 HydrophobicContact CB-CG1 3.95Å; A51-F216 HydrophobicContact CB-CD2 4.16Å; A51-F216 HydrophobicContact CB-CE2 3.83Å
52V97.1Very high95.2Very high62 Ų6257.1 Ų57.138%0.37629%0.289SS..Hα-helixtrans-62.2-41.9176.2171.90000111.2R48 N49 W50 A56 I148R48-V52 WeakPolarHBondContact O-CG2 3.37Å; R48-V52 PolarHBondContact O-N 2.91Å; N49-V52 PolarHBondContact O-N 3.12Å; W50-V52 PolarHBondContact O-N 2.83Å; V52-A56 PolarHBondContact O-N 3.32Å; V52-A56 VanDerWaalsContact O-N 3.07Å; V52-I148 HydrophobicContact CG2-CD1 3.87Å; V52-I148 HydrophobicContact CG2-CG1 4.25Å; V52-I148 HydrophobicContact CG2-CG2 4.35Å
53S97.3Very high94.8Very high67 Ų6753.3 Ų53.347%0.46927%0.273SS..Hα-helixtrans-64.5-48.6178.6-174.40000112N49 W50 A51 L55 A56 Q57N49-S53 VanDerWaalsContact O-CB 3.32Å; N49-S53 WeakPolarHBondContact O-CB 3.5Å; N49-S53 PolarHBondContact O-N 3.25Å; W50-S53 WeakPolarHBondContact O-CB 3.37Å; W50-S53 PolarHBondContact O-N 2.93Å; W50-S53 VanDerWaalsContact O-N 3.17Å; A51-S53 VanDerWaalsContact C-N 3.33Å; A51-S53 PolarHBondContact O-N 3.42Å; S53-L55 PolarHBondContact O-N 3.18Å; S53-A56 PolarHBondContact O-N 3.25Å; S53-Q57 WeakPolarHBondContact O-CG 3.49Å; S53-Q57 PolarHBondContact O-N 2.94Å; S53-Q57 VanDerWaalsContact O-N 3.09Å
54I96.3Very high94.4Very high57 Ų5755.5 Ų55.529%0.29229%0.29SS..Hα-helixtrans-61.2-45.1177.9-67.1166000110.4W50 A51 A56 Q57 L58 Y140 L144W50-I54 WeakPolarHBondContact O-CB 3.33Å; W50-I54 VanDerWaalsContact O-CG1 3.28Å; W50-I54 WeakPolarHBondContact O-CG1 3.15Å; W50-I54 PolarHBondContact O-N 3.36Å; A51-I54 PolarHBondContact O-N 3.28Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3Å; I54-Q57 PolarHBondContact O-N 2.89Å; I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.29Å; I54-L58 WeakPolarHBondContact O-CG 3.27Å; I54-L58 PolarHBondContact O-N 2.92Å; I54-Y140 HydrophobicContact CG2-CE1 3.95Å; I54-L144 HydrophobicContact CB-CD1 4.47Å; I54-L144 HydrophobicContact CG2-CD1 3.82Å
55L95.6Very high94Very high22 Ų2258.7 Ų58.712%0.11531%0.306CS..Hα-helixtrans-56.5-47.9177.2175.860.6000111.3A51 S53 Q57 L58 E59 I141 L144 R145 I148A51-L55 VanDerWaalsContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CB 3.46Å; A51-L55 PolarHBondContact O-N 3.44Å; S53-L55 PolarHBondContact O-N 3.18Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; L55-Q57 PolarHBondContact O-N 3.36Å; L55-L58 PolarHBondContact O-N 3.46Å; L55-E59 HydrophobicContact CD1-CG 4.11Å; L55-E59 WeakPolarHBondContact O-CG 3.47Å; L55-E59 PolarHBondContact O-N 2.91Å; L55-I141 HydrophobicContact CD1-CB 4.32Å; L55-I141 HydrophobicContact CD1-CG1 4.23Å; L55-I141 HydrophobicContact CD1-CG2 3.82Å; L55-L144 HydrophobicContact CB-CB 4.35Å; L55-L144 HydrophobicContact CB-CD1 4.15Å; L55-L144 HydrophobicContact CD1-CB 4.28Å; L55-R145 HydrophobicContact CD1-CG 4.13Å; L55-R145 HydrophobicContact CD2-CG 3.84Å; L55-I148 HydrophobicContact CB-CD1 4.44Å; L55-I148 HydrophobicContact CD2-CD1 3.79Å
56A92.9Very high93.7Very high44 Ų4460.3 Ų60.336%0.36432%0.321SS..Hα-helixtrans-61.7-37.7178.900000112.6V52 S53 I54 N60V52-A56 PolarHBondContact O-N 3.32Å; V52-A56 VanDerWaalsContact O-N 3.07Å; S53-A56 PolarHBondContact O-N 3.25Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3Å; A56-N60 WeakPolarHBondContact O-CB 3.32Å; A56-N60 PolarHBondContact O-N 3.17Å; A56-N60 VanDerWaalsContact O-N 3.14Å
57Q94.8Very high93.4Very high116 Ų11659.1 Ų59.154%0.54233%0.328SS..Hα-helixtrans-70.8-41.3176.7-65.4-56.2-3700112.3S53 I54 L55 N60 V61S53-Q57 WeakPolarHBondContact O-CG 3.49Å; S53-Q57 PolarHBondContact O-N 2.94Å; S53-Q57 VanDerWaalsContact O-N 3.09Å; I54-Q57 PolarHBondContact O-N 2.89Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; L55-Q57 PolarHBondContact O-N 3.36Å; Q57-N60 WeakPolarHBondContact O-CB 3.37Å; Q57-N60 PolarHBondContact O-N 2.76Å; Q57-N60 VanDerWaalsContact O-N 3.14Å; Q57-V61 WeakPolarHBondContact O-CG2 3.44Å; Q57-V61 PolarHBondContact O-N 3.04Å
58L93.5Very high93.1Very high19 Ų1960 Ų6010%0.09933%0.334CS..Hα-helixtrans-64.2-42.6176.5-74168000111.9I54 L55 N60 V61 I62 V136 Y140 I141 L144 L226I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.29Å; I54-L58 WeakPolarHBondContact O-CG 3.27Å; I54-L58 PolarHBondContact O-N 2.92Å; L55-L58 PolarHBondContact O-N 3.46Å; L58-N60 PolarHBondContact O-N 3.02Å; L58-V61 PolarHBondContact O-N 3.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.35Å; L58-I62 PolarHBondContact O-N 3.43Å; L58-V136 HydrophobicContact CD2-CG1 4.19Å; L58-Y140 HydrophobicContact CD1-CD1 3.32Å; L58-Y140 HydrophobicContact CD1-CE1 3.55Å; L58-Y140 HydrophobicContact CD1-CG 4.28Å; L58-I141 HydrophobicContact CB-CD1 4.04Å; L58-I141 HydrophobicContact CB-CG1 3.99Å; L58-I141 HydrophobicContact CD1-CG1 4.3Å; L58-L144 HydrophobicContact CD1-CD1 3.58Å; L58-L226 HydrophobicContact CD2-CD1 4.35Å; L58-L226 HydrophobicContact CD2-CD2 4.3Å
59E91.6Very high92.7Very high35 Ų3559.3 Ų59.316%0.16433%0.332CS..Hα-helixtrans-62.1-31.4174.2-70.2178.6160.600111.9L55 Q63 R69 I141 R145L55-E59 HydrophobicContact CD1-CG 4.11Å; L55-E59 WeakPolarHBondContact O-CG 3.47Å; L55-E59 PolarHBondContact O-N 2.91Å; E59-Q63 PolarHBondContact O-N 2.88Å; E59-R69 PolarHBondContact O-NE 3.45Å; E59-I141 HydrophobicContact CG-CD1 4.14Å; E59-R145 IonicContact OE1-CZ 3.91Å; E59-R145 IonicContact OE1-NE 2.97Å; E59-R145 IonicContact OE1-NH2 3.58Å; E59-R145 PolarHBondContact OE1-NH2 3.47Å
60N91.5Very high92.3Very high67 Ų6761 Ų6136%0.35834%0.339SS..Hα-helixtrans-71.1-38.2173.6-172.962.5000113.3A56 Q57 L58 Q63 P64 R69A56-N60 WeakPolarHBondContact O-CB 3.32Å; A56-N60 PolarHBondContact O-N 3.17Å; A56-N60 VanDerWaalsContact O-N 3.14Å; Q57-N60 WeakPolarHBondContact O-CB 3.37Å; Q57-N60 PolarHBondContact O-N 2.76Å; Q57-N60 VanDerWaalsContact O-N 3.14Å; L58-N60 PolarHBondContact O-N 3.02Å; N60-Q63 CarbonylContact O-C 3.02Å; N60-P64 VanDerWaalsContact O-CA 3.25Å; N60-P64 WeakPolarHBondContact O-CA 3.25Å; N60-P64 WeakPolarHBondContact O-CG 3.38Å; N60-P64 VanDerWaalsContact O-N 3.17Å; N60-R69 PolarHBondContact OD1-NH2 2.95Å
61V88.3Confident92Very high101 Ų10157.9 Ų57.961%0.61233%0.33SS*.Hα-helixtrans-66-42175.4170.50000111Q57 L58Q57-V61 WeakPolarHBondContact O-CG2 3.44Å; Q57-V61 PolarHBondContact O-N 3.04Å; L58-V61 PolarHBondContact O-N 3.44Å
62I87.7Confident91.5Very high22 Ų2259.5 Ų59.511%0.11334%0.339CS..Hα-helixtrans-73.9-43.7-178.6-66.6-178.5000111.7L58 Q133 V136 S137 I141L58-I62 WeakPolarHBondContact O-CG1 3.35Å; L58-I62 PolarHBondContact O-N 3.43Å; I62-Q133 HydrophobicContact CB-CG 4.42Å; I62-Q133 HydrophobicContact CG2-CB 3.88Å; I62-Q133 HydrophobicContact CG2-CG 3.87Å; I62-Q133 PolarHBondContact O-NE2 3.47Å; I62-V136 HydrophobicContact CD1-CB 3.85Å; I62-V136 HydrophobicContact CD1-CG1 3.7Å; I62-V136 HydrophobicContact CG1-CG1 4.41Å; I62-S137 WeakPolarHBondContact CD1-OG 3.45Å; I62-I141 HydrophobicContact CD1-CD1 3.32Å; I62-I141 HydrophobicContact CD1-CG1 4.46Å; I62-I141 HydrophobicContact CG1-CD1 4.45Å
63Q88.6Confident91Very high33 Ų3361.3 Ų61.315%0.15435%0.346CS..  trans-133.387.8179.4-178.552.9-82.800109.9E59 N60 N65 L68 R69E59-Q63 PolarHBondContact O-N 2.88Å; N60-Q63 CarbonylContact O-C 3.02Å; Q63-N65 PolarHBondContact O-N 2.83Å; Q63-L68 HydrophobicContact CG-CB 3.86Å; Q63-L68 VanDerWaalsContact NE2-CB 3.35Å; Q63-R69 HydrophobicContact CB-CB 4.34Å; Q63-R69 HydrophobicContact CG-CB 3.92Å; Q63-R69 VanDerWaalsContact O-CZ 3.26Å; Q63-R69 PolarHBondContact O-NE 3.14Å; Q63-R69 PolarHBondContact O-NH2 3.09Å
64P89.5Confident90.6Very high84 Ų8462.7 Ų62.755%0.54535%0.347SS..  trans-61.1-29.4-179.5-24.634.2000113N60 P66 R69N60-P64 VanDerWaalsContact O-CA 3.25Å; N60-P64 WeakPolarHBondContact O-CA 3.25Å; N60-P64 WeakPolarHBondContact O-CG 3.38Å; N60-P64 VanDerWaalsContact O-N 3.17Å; P64-P66 WeakPolarHBondContact O-CD 3.47Å; P64-R69 PolarHBondContact O-NH2 2.96Å
65N89.1Confident90.3Very high73 Ų7361.6 Ų61.639%0.3934%0.341SS..  trans-76.9115.4179.5-174.7-31.7000110.9Q63 A67 L68 R69Q63-N65 PolarHBondContact O-N 2.83Å; N65-A67 VanDerWaalsContact C-N 3.33Å; N65-A67 PolarHBondContact O-N 3.03Å; N65-A67 WeakPolarHBondContact OD1-CB 3.5Å; N65-A67 PolarHBondContact OD1-N 2.58Å; N65-L68 HydrophobicContact CB-CB 4.11Å; N65-L68 HydrophobicContact CB-CD1 3.95Å; N65-L68 HydrophobicContact CB-CG 3.95Å; N65-L68 PolarHBondContact O-N 2.87Å; N65-L68 PolarHBondContact OD1-N 2.65Å; N65-R69 WeakPolarHBondContact O-CB 3.45Å; N65-R69 PolarHBondContact O-N 3.04Å
66P90Very high89.8Confident83 Ų8363.8 Ų63.854%0.53935%0.348SS..Hα-helixtrans-64.7-33.8-176.426-34.5000113.2P64 R69 I70P64-P66 WeakPolarHBondContact O-CD 3.47Å; P66-R69 PolarHBondContact O-N 2.9Å; P66-I70 WeakPolarHBondContact O-CG1 3.35Å; P66-I70 PolarHBondContact O-N 3.41Å
67A91Very high89.5Confident64 Ų6465 Ų6553%0.52937%0.365SS..Hα-helixtrans-66.3-44178.700000111N65 R69 I70 E71N65-A67 VanDerWaalsContact C-N 3.33Å; N65-A67 PolarHBondContact O-N 3.03Å; N65-A67 WeakPolarHBondContact OD1-CB 3.5Å; N65-A67 PolarHBondContact OD1-N 2.58Å; A67-R69 VanDerWaalsContact C-N 3.33Å; A67-I70 PolarHBondContact O-N 3.03Å; A67-E71 PolarHBondContact O-N 3.47Å
68L90Very high89.3Confident47 Ų4764.3 Ų64.325%0.24636%0.363CS..Hα-helixtrans-67.6-35.5175.7-60.5-175.3000111.6Q63 N65 I70 E71 D72Q63-L68 HydrophobicContact CG-CB 3.86Å; Q63-L68 VanDerWaalsContact NE2-CB 3.35Å; N65-L68 HydrophobicContact CB-CB 4.11Å; N65-L68 HydrophobicContact CB-CD1 3.95Å; N65-L68 HydrophobicContact CB-CG 3.95Å; N65-L68 PolarHBondContact O-N 2.87Å; N65-L68 PolarHBondContact OD1-N 2.65Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 PolarHBondContact O-N 2.69Å; L68-E71 WeakPolarHBondContact O-CB 3.37Å; L68-E71 PolarHBondContact O-N 3.28Å; L68-D72 WeakPolarHBondContact O-CB 3.46Å; L68-D72 PolarHBondContact O-N 3.27Å
69R89.4Confident88.9Confident54 Ų5471 Ų7120%0.20440%0.399CS..Hα-helixtrans-62.3-40.2176.1-166.5-174.6-54.7158.915.9112.2E59 N60 Q63 P64 N65 P66 A67 D72 L73E59-R69 PolarHBondContact O-NE 3.45Å; N60-R69 PolarHBondContact OD1-NH2 2.95Å; Q63-R69 HydrophobicContact CB-CB 4.34Å; Q63-R69 HydrophobicContact CG-CB 3.92Å; Q63-R69 VanDerWaalsContact O-CZ 3.26Å; Q63-R69 PolarHBondContact O-NE 3.14Å; Q63-R69 PolarHBondContact O-NH2 3.09Å; P64-R69 PolarHBondContact O-NH2 2.96Å; N65-R69 WeakPolarHBondContact O-CB 3.45Å; N65-R69 PolarHBondContact O-N 3.04Å; P66-R69 PolarHBondContact O-N 2.9Å; A67-R69 VanDerWaalsContact C-N 3.33Å; R69-D72 PolarHBondContact O-N 3.26Å; R69-L73 PolarHBondContact O-N 3.39Å
70I89.4Confident88.6Confident106 Ų10676.8 Ų76.854%0.54442%0.419SS..Hα-helixtrans-66.8-44.3174.2-66.8165.5000110.3P66 A67 L68 D72 L73 I74P66-I70 WeakPolarHBondContact O-CG1 3.35Å; P66-I70 PolarHBondContact O-N 3.41Å; A67-I70 PolarHBondContact O-N 3.03Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 PolarHBondContact O-N 2.69Å; I70-D72 VanDerWaalsContact C-N 3.29Å; I70-D72 PolarHBondContact O-N 2.98Å; I70-L73 WeakPolarHBondContact O-CB 3.49Å; I70-L73 PolarHBondContact O-N 3.16Å; I70-I74 HydrophobicContact CG2-CD1 3.92Å; I70-I74 WeakPolarHBondContact O-CG1 3.43Å; I70-I74 PolarHBondContact O-N 3.06Å
71E90.1Very high88Confident60 Ų6081.6 Ų81.628%0.2844%0.439SS..Hα-helixtrans-54.9-47173.8-171.6-173.7175.600110.7A67 L68 L73 I74 L75 K82 R84A67-E71 PolarHBondContact O-N 3.47Å; L68-E71 WeakPolarHBondContact O-CB 3.37Å; L68-E71 PolarHBondContact O-N 3.28Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 2.97Å; E71-I74 PolarHBondContact O-N 2.95Å; E71-L75 HydrophobicContact CG-CD1 4.01Å; E71-L75 HydrophobicContact CG-CG 4.44Å; E71-L75 WeakPolarHBondContact O-CB 3.3Å; E71-L75 VanDerWaalsContact O-CG 3.3Å; E71-L75 WeakPolarHBondContact O-CG 3.42Å; E71-L75 PolarHBondContact O-N 2.73Å; E71-K82 WeakPolarHBondContact OE1-CD 3.49Å; E71-K82 IonicContact OE1-NZ 2.67Å; E71-K82 PolarHBondContact OE1-NZ 3.48Å; E71-R84 IonicContact OE1-NH2 3.16Å; E71-R84 IonicContact OE2-CZ 3.83Å; E71-R84 IonicContact OE2-NH2 3.53Å; E71-R84 PolarHBondContact OE2-NH2 3.48Å
72D88Confident87.7Confident34 Ų3482.1 Ų82.118%0.18243%0.433CS..Hα-helixtrans-67-33.2-179.6-61.1-16.2000112.1L68 R69 I70 R76 R84L68-D72 WeakPolarHBondContact O-CB 3.46Å; L68-D72 PolarHBondContact O-N 3.27Å; R69-D72 PolarHBondContact O-N 3.26Å; I70-D72 VanDerWaalsContact C-N 3.29Å; I70-D72 PolarHBondContact O-N 2.98Å; D72-R76 WeakPolarHBondContact O-CB 3.09Å; D72-R76 VanDerWaalsContact O-CG 3.25Å; D72-R76 WeakPolarHBondContact O-CG 3.38Å; D72-R76 PolarHBondContact O-N 2.69Å; D72-R76 VanDerWaalsContact O-N 3.13Å; D72-R76 PolarHBondContact O-NE 3.13Å; D72-R84 VanDerWaalsContact CG-NH1 3.29Å; D72-R84 IonicContact OD1-CZ 2.69Å; D72-R84 IonicContact OD1-NH1 2.81Å; D72-R84 PolarHBondContact OD1-NH1 3.21Å; D72-R84 IonicContact OD1-NH2 2.8Å; D72-R84 PolarHBondContact OD1-NH2 3.13Å; D72-R84 IonicContact OD2-CZ 2.67Å; D72-R84 IonicContact OD2-NH1 3.8Å; D72-R84 PolarHBondContact OD2-NH1 2.95Å
73L86.1Confident87.3Confident99 Ų9987 Ų8752%0.51846%0.464SS..Hα-helixtrans-64-46.9171.7-170.596.3000111.4R69 I70 E71 R76 G77R69-L73 PolarHBondContact O-N 3.39Å; I70-L73 WeakPolarHBondContact O-CB 3.49Å; I70-L73 PolarHBondContact O-N 3.16Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 2.97Å; L73-R76 PolarHBondContact O-N 3.34Å; L73-G77 PolarHBondContact O-N 3.3Å; L73-G77 VanDerWaalsContact O-N 3.1Å
74I90Very high87Confident96 Ų9688.1 Ų88.149%0.49247%0.467SS..Hα-helixtrans-64.2-47.7-179.9-66.2166.5000110.4I70 E71 R76 G77 M78I70-I74 HydrophobicContact CG2-CD1 3.92Å; I70-I74 WeakPolarHBondContact O-CG1 3.43Å; I70-I74 PolarHBondContact O-N 3.06Å; E71-I74 PolarHBondContact O-N 2.95Å; I74-R76 VanDerWaalsContact C-N 3.35Å; I74-R76 PolarHBondContact O-N 3.31Å; I74-G77 WeakPolarHBondContact O-CA 3.26Å; I74-G77 PolarHBondContact O-N 2.93Å; I74-G77 VanDerWaalsContact O-N 3.11Å; I74-M78 HydrophobicContact CG2-SD 4.32Å; I74-M78 PolarHBondContact O-N 3.42Å
75L89Confident86.7Confident34 Ų3487.1 Ų87.118%0.17846%0.457CS..Hα-helixtrans-58.7-45.6179.4-73173.2000111.5E71 G77 M78 N79 R80 K82E71-L75 HydrophobicContact CG-CD1 4.01Å; E71-L75 HydrophobicContact CG-CG 4.44Å; E71-L75 WeakPolarHBondContact O-CB 3.3Å; E71-L75 VanDerWaalsContact O-CG 3.3Å; E71-L75 WeakPolarHBondContact O-CG 3.42Å; E71-L75 PolarHBondContact O-N 2.73Å; L75-G77 VanDerWaalsContact C-N 3.31Å; L75-G77 PolarHBondContact O-N 3.3Å; L75-M78 CarbonylContact O-C 3.51Å; L75-M78 WeakPolarHBondContact O-CA 3.41Å; L75-M78 WeakPolarHBondContact O-CB 3.39Å; L75-M78 PolarHBondContact O-N 2.74Å; L75-N79 PolarHBondContact O-N 3.27Å; L75-R80 CarbonylContact C-O 3.42Å; L75-R80 HydrophobicContact CB-CB 4.35Å; L75-R80 WeakPolarHBondContact CB-O 3.38Å; L75-R80 HydrophobicContact CD2-CB 4.03Å; L75-R80 PolarHBondContact O-N 2.82Å; L75-K82 HydrophobicContact CD1-CB 3.63Å; L75-K82 HydrophobicContact CD1-CD 4.37Å
76R85.6Confident86.7Confident68 Ų6884.1 Ų84.126%0.25744%0.441SS..Hα-helixtrans-59.9-39.9174.9-76.4178-66.9-168.90.7112.6D72 L73 I74 M78 N79 R80D72-R76 WeakPolarHBondContact O-CB 3.09Å; D72-R76 VanDerWaalsContact O-CG 3.25Å; D72-R76 WeakPolarHBondContact O-CG 3.38Å; D72-R76 PolarHBondContact O-N 2.69Å; D72-R76 VanDerWaalsContact O-N 3.13Å; D72-R76 PolarHBondContact O-NE 3.13Å; L73-R76 PolarHBondContact O-N 3.34Å; I74-R76 VanDerWaalsContact C-N 3.35Å; I74-R76 PolarHBondContact O-N 3.31Å; R76-M78 PolarHBondContact O-N 3.12Å; R76-N79 PolarHBondContact O-N 3.48Å; R76-R80 PolarHBondContact N-O 3.01Å
77G86.4Confident86.8Confident69 Ų6983.6 Ų83.671%0.71144%0.444SS*.Hα-helixtrans-61.3-21.1173.400000114L73 I74 L75L73-G77 PolarHBondContact O-N 3.3Å; L73-G77 VanDerWaalsContact O-N 3.1Å; I74-G77 WeakPolarHBondContact O-CA 3.26Å; I74-G77 PolarHBondContact O-N 2.93Å; I74-G77 VanDerWaalsContact O-N 3.11Å; L75-G77 VanDerWaalsContact C-N 3.31Å; L75-G77 PolarHBondContact O-N 3.3Å
78M90.7Very high87Confident103 Ų10382.8 Ų82.851%0.50743%0.431SS..THydrogen-bonded Turntrans-99.38.7174.6-60.4176.769.400113.2I74 L75 R76 R80I74-M78 HydrophobicContact CG2-SD 4.32Å; I74-M78 PolarHBondContact O-N 3.42Å; L75-M78 CarbonylContact O-C 3.51Å; L75-M78 WeakPolarHBondContact O-CA 3.41Å; L75-M78 WeakPolarHBondContact O-CB 3.39Å; L75-M78 PolarHBondContact O-N 2.74Å; R76-M78 PolarHBondContact O-N 3.12Å; M78-R80 HydrophobicContact CB-CG 4.3Å; M78-R80 PolarHBondContact O-N 3.37Å
79N84.9Confident87.3Confident159 Ų15980.8 Ų80.885%0.8542%0.42SS*.THydrogen-bonded Turntrans52.939.5-170.2-60.5-39.8000112.9L75 R76L75-N79 PolarHBondContact O-N 3.27Å; R76-N79 PolarHBondContact O-N 3.48Å
80R85.5Confident87.5Confident156 Ų15683.3 Ų83.359%0.58943%0.434SS*.  trans-119.2149.2175.1-66.6-177.8179.4-176.1-1.5109.6L75 R76 M78L75-R80 CarbonylContact C-O 3.42Å; L75-R80 HydrophobicContact CB-CB 4.35Å; L75-R80 WeakPolarHBondContact CB-O 3.38Å; L75-R80 HydrophobicContact CD2-CB 4.03Å; L75-R80 PolarHBondContact O-N 2.82Å; R76-R80 PolarHBondContact N-O 3.01Å; M78-R80 HydrophobicContact CB-CG 4.3Å; M78-R80 PolarHBondContact O-N 3.37Å
81E79.1Confident87.9Confident168 Ų16882.1 Ų82.179%0.78543%0.429SS*.  trans-132.4144.7172.8-66.8-172.3165.400109.5
82K81.6Confident88.2Confident112 Ų11279.3 Ų79.349%0.48742%0.415SS..  trans-119.2104.2178.6-177.3176.4178.3178.10108.4E71 L75 R84E71-K82 WeakPolarHBondContact OE1-CD 3.49Å; E71-K82 IonicContact OE1-NZ 2.67Å; E71-K82 PolarHBondContact OE1-NZ 3.48Å; L75-K82 HydrophobicContact CD1-CB 3.63Å; L75-K82 HydrophobicContact CD1-CD 4.37Å; K82-R84 HydrophobicContact CG-CG 4.43Å; K82-R84 PolarHBondContact O-N 3.21Å
83V79.2Confident88.6Confident125 Ų12582.6 Ų82.676%0.75843%0.429SS*.  trans-68.9119.3173.3-176.60000108.1
84R83Confident89.2Confident57 Ų5781 Ų8122%0.21543%0.427CS..  trans-107.7140.3173-59.1-170.6-17197.4-1.2108.6E71 D72 K82 S86 R130E71-R84 IonicContact OE1-NH2 3.16Å; E71-R84 IonicContact OE2-CZ 3.83Å; E71-R84 IonicContact OE2-NH2 3.53Å; E71-R84 PolarHBondContact OE2-NH2 3.48Å; D72-R84 VanDerWaalsContact CG-NH1 3.29Å; D72-R84 IonicContact OD1-CZ 2.69Å; D72-R84 IonicContact OD1-NH1 2.81Å; D72-R84 PolarHBondContact OD1-NH1 3.21Å; D72-R84 IonicContact OD1-NH2 2.8Å; D72-R84 PolarHBondContact OD1-NH2 3.13Å; D72-R84 IonicContact OD2-CZ 2.67Å; D72-R84 IonicContact OD2-NH1 3.8Å; D72-R84 PolarHBondContact OD2-NH1 2.95Å; K82-R84 HydrophobicContact CG-CG 4.43Å; K82-R84 PolarHBondContact O-N 3.21Å; R84-S86 PolarHBondContact O-N 2.91Å; R84-R130 WeakPolarHBondContact O-CD 3.39Å
85L83.5Confident89.5Confident63 Ų6377.9 Ų77.933%0.3341%0.411SS..  trans-61.2132.6166.5-67.2178.3000108.8E89 Q90 E93L85-E89 WeakPolarHBondContact CA-OE2 3.27Å; L85-E89 HydrophobicContact CB-CB 4.23Å; L85-E89 HydrophobicContact CD2-CB 4.28Å; L85-Q90 HydrophobicContact CB-CG 3.83Å; L85-Q90 HydrophobicContact CD1-CG 4.4Å; L85-Q90 PolarHBondContact O-NE2 3.37Å; L85-E93 WeakPolarHBondContact CD1-OE1 3.37Å; L85-E93 WeakPolarHBondContact CD1-OE2 3.45Å
86S88.8Confident89.8Confident10 Ų1079 Ų797%0.0742%0.417CS..  trans-65.2160.8173115.20000110.2R84 N88 E89 Q90 G126 E129R84-S86 PolarHBondContact O-N 2.91Å; S86-N88 PolarHBondContact O-N 2.95Å; S86-N88 PolarHBondContact OG-N 3.48Å; S86-E89 PolarHBondContact N-OE2 3.26Å; S86-E89 PolarHBondContact O-N 2.94Å; S86-E89 VanDerWaalsContact O-N 3.09Å; S86-Q90 WeakPolarHBondContact O-CG 3.43Å; S86-Q90 PolarHBondContact O-N 3.31Å; S86-G126 WeakPolarHBondContact OG-CA 3.25Å; S86-E129 VanDerWaalsContact CB-OE2 3.28Å; S86-E129 WeakPolarHBondContact CB-OE2 3.2Å; S86-E129 PolarHBondContact OG-OE2 3.03Å
87A92.1Very high90.3Very high71 Ų7184.7 Ų84.759%0.58744%0.438SS*.Hα-helixtrans-57.8-37.1178.600000111.7Q90 L91A87-Q90 PolarHBondContact O-N 2.91Å; A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 3.32Å
88N94.8Very high90.7Very high47 Ų4785.5 Ų85.525%0.25143%0.425SS..Hα-helixtrans-68-35.1177.7-63.6-47.6000111.8S86 L91 G92 Q122 I125 E129S86-N88 PolarHBondContact O-N 2.95Å; S86-N88 PolarHBondContact OG-N 3.48Å; N88-L91 PolarHBondContact O-N 2.87Å; N88-G92 PolarHBondContact O-N 2.77Å; N88-Q122 CarbonylContact C-O 3.43Å; N88-Q122 WeakPolarHBondContact CB-O 3.44Å; N88-Q122 CarbonylContact O-C 3.59Å; N88-I125 HydrophobicContact CB-CB 4.49Å; N88-I125 HydrophobicContact CB-CG2 4.13Å; N88-E129 PolarHBondContact ND2-OE2 3.44Å; N88-E129 VanDerWaalsContact ND2-OE2 3.08Å
89E95.3Very high90.8Very high6 Ų680.7 Ų80.73%0.02840%0.402CS..Hα-helixtrans-70.1-42.6175.1-60.3-177.797.100112.2L85 S86 L91 G92 E93 R130L85-E89 WeakPolarHBondContact CA-OE2 3.27Å; L85-E89 HydrophobicContact CB-CB 4.23Å; L85-E89 HydrophobicContact CD2-CB 4.28Å; S86-E89 PolarHBondContact N-OE2 3.26Å; S86-E89 PolarHBondContact O-N 2.94Å; S86-E89 VanDerWaalsContact O-N 3.09Å; E89-L91 VanDerWaalsContact C-N 3.26Å; E89-L91 PolarHBondContact O-N 3.3Å; E89-G92 PolarHBondContact O-N 3.01Å; E89-G92 VanDerWaalsContact O-N 3.15Å; E89-E93 WeakPolarHBondContact O-CG 3.23Å; E89-E93 PolarHBondContact O-N 3.37Å; E89-R130 IonicContact OE1-CZ 3.3Å; E89-R130 IonicContact OE1-NE 3.59Å; E89-R130 IonicContact OE1-NH1 2.8Å; E89-R130 PolarHBondContact OE1-NH1 2.94Å; E89-R130 IonicContact OE1-NH2 3.64Å; E89-R130 PolarHBondContact OE1-NH2 3.2Å; E89-R130 WeakPolarHBondContact OE2-CD 3.38Å; E89-R130 IonicContact OE2-CZ 3.69Å; E89-R130 IonicContact OE2-NE 3.57Å; E89-R130 PolarHBondContact OE2-NE 3.37Å; E89-R130 IonicContact OE2-NH1 3.82Å; E89-R130 PolarHBondContact OE2-NH1 3.44Å; E89-R130 IonicContact OE2-NH2 2.91Å
90Q95.2Very high91.1Very high106 Ų10675.3 Ų75.350%0.49538%0.377SS..Hα-helixtrans-60.8-39.3175.8-66.417537.200111.3L85 S86 A87 S94L85-Q90 HydrophobicContact CB-CG 3.83Å; L85-Q90 HydrophobicContact CD1-CG 4.4Å; L85-Q90 PolarHBondContact O-NE2 3.37Å; S86-Q90 WeakPolarHBondContact O-CG 3.43Å; S86-Q90 PolarHBondContact O-N 3.31Å; A87-Q90 PolarHBondContact O-N 2.91Å; Q90-S94 WeakPolarHBondContact O-CB 3.25Å; Q90-S94 PolarHBondContact O-N 2.95Å; Q90-S94 VanDerWaalsContact O-N 3.13Å; Q90-S94 PolarHBondContact O-OG 3.13Å
91L96.9Very high91.4Very high82 Ų8272.3 Ų72.343%0.42937%0.372SS..Hα-helixtrans-62.3-50.1172.1174.861.2000110.8A87 N88 E89 E93 S94 M95 Q122A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 3.32Å; N88-L91 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact C-N 3.26Å; E89-L91 PolarHBondContact O-N 3.3Å; L91-E93 PolarHBondContact O-N 3.28Å; L91-S94 WeakPolarHBondContact O-CB 3.49Å; L91-S94 PolarHBondContact O-N 3.37Å; L91-M95 HydrophobicContact CD1-CG 4.09Å; L91-M95 HydrophobicContact CD1-SD 3.82Å; L91-M95 HydrophobicContact CD2-SD 4.41Å; L91-M95 HydrophobicContact CG-CG 4.45Å; L91-M95 HydrophobicContact CG-SD 3.78Å; L91-M95 VanDerWaalsContact O-CG 3.28Å; L91-M95 WeakPolarHBondContact O-CG 3.37Å; L91-M95 PolarHBondContact O-N 2.91Å; L91-Q122 HydrophobicContact CD2-CG 4.07Å; L91-Q122 HydrophobicContact CG-CG 4.32Å
92G97.1Very high91.9Very high0 Ų067 Ų670%035%0.348CS..Hα-helixtrans-58.9-45.6179.100000113.5N88 E89 S94 M95 D96 A119N88-G92 PolarHBondContact O-N 2.77Å; E89-G92 PolarHBondContact O-N 3.01Å; E89-G92 VanDerWaalsContact O-N 3.15Å; G92-S94 VanDerWaalsContact C-N 3.32Å; G92-S94 PolarHBondContact O-N 2.95Å; G92-M95 PolarHBondContact O-N 3.35Å; G92-D96 WeakPolarHBondContact O-CB 3.35Å; G92-D96 PolarHBondContact O-N 3.28Å; G92-A119 WeakPolarHBondContact O-CB 3.47Å
93E96.6Very high92.1Very high103 Ų10364.6 Ų64.648%0.48135%0.346SS..Hα-helixtrans-60.7-41174.8-74.2-175.3172.500112.1L85 E89 L91 D96 R97L85-E93 WeakPolarHBondContact CD1-OE1 3.37Å; L85-E93 WeakPolarHBondContact CD1-OE2 3.45Å; E89-E93 WeakPolarHBondContact O-CG 3.23Å; E89-E93 PolarHBondContact O-N 3.37Å; L91-E93 PolarHBondContact O-N 3.28Å; E93-D96 PolarHBondContact O-N 2.92Å; E93-R97 WeakPolarHBondContact O-CB 3.47Å; E93-R97 PolarHBondContact O-N 3.05Å
94S97.2Very high92.3Very high66 Ų6666.8 Ų66.846%0.46235%0.345SS..Hα-helixtrans-64.4-43.3176.9-61.40000111.2Q90 L91 G92 R97 I98Q90-S94 WeakPolarHBondContact O-CB 3.25Å; Q90-S94 PolarHBondContact O-N 2.95Å; Q90-S94 VanDerWaalsContact O-N 3.13Å; Q90-S94 PolarHBondContact O-OG 3.13Å; L91-S94 WeakPolarHBondContact O-CB 3.49Å; L91-S94 PolarHBondContact O-N 3.37Å; G92-S94 VanDerWaalsContact C-N 3.32Å; G92-S94 PolarHBondContact O-N 2.95Å; S94-R97 PolarHBondContact O-N 3.07Å; S94-I98 VanDerWaalsContact O-CG1 3.26Å; S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 2.84Å
95M96.4Very high92.1Very high31 Ų3170.9 Ų70.915%0.15337%0.371CS..Hα-helixtrans-66-42.2177.5-68.1173.675.900111.9L91 G92 R97 I98 S99 L115 C118 A119 Q122L91-M95 HydrophobicContact CD1-CG 4.09Å; L91-M95 HydrophobicContact CD1-SD 3.82Å; L91-M95 HydrophobicContact CD2-SD 4.41Å; L91-M95 HydrophobicContact CG-CG 4.45Å; L91-M95 HydrophobicContact CG-SD 3.78Å; L91-M95 VanDerWaalsContact O-CG 3.28Å; L91-M95 WeakPolarHBondContact O-CG 3.37Å; L91-M95 PolarHBondContact O-N 2.91Å; G92-M95 PolarHBondContact O-N 3.35Å; M95-R97 PolarHBondContact O-N 3.46Å; M95-I98 PolarHBondContact O-N 3.32Å; M95-S99 PolarHBondContact O-N 2.85Å; M95-S99 PolarHBondContact O-OG 3.43Å; M95-L115 HydrophobicContact CB-CD1 4.11Å; M95-L115 HydrophobicContact CB-CG 4.4Å; M95-L115 HydrophobicContact CE-CD1 3.44Å; M95-L115 VanDerWaalsContact CE-CD1 3.44Å; M95-L115 HydrophobicContact CG-CD1 4.18Å; M95-C118 HydrophobicContact CE-CB 3.69Å; M95-C118 VanDerWaalsContact CE-SG 3.5Å; M95-A119 HydrophobicContact CB-CB 3.57Å; M95-Q122 HydrophobicContact SD-CG 4.07Å
96D96Very high91.3Very high57 Ų5769.6 Ų69.631%0.30537%0.367SS..Hα-helixtrans-64.9-39.4178-175.862.8000111.9G92 E93 S99 S100 A119G92-D96 WeakPolarHBondContact O-CB 3.35Å; G92-D96 PolarHBondContact O-N 3.28Å; E93-D96 PolarHBondContact O-N 2.92Å; D96-S99 VanDerWaalsContact CA-OG 3.26Å; D96-S99 WeakPolarHBondContact CA-OG 3.41Å; D96-S99 PolarHBondContact O-N 3.35Å; D96-S99 PolarHBondContact O-OG 3.41Å; D96-S100 WeakPolarHBondContact O-CB 3.49Å; D96-S100 PolarHBondContact O-N 3.05Å; D96-S100 PolarHBondContact O-OG 3.15Å; D96-A119 HydrophobicContact CB-CB 3.93Å
97R95.7Very high90.2Very high187 Ų18777.2 Ų77.271%0.70641%0.407SS*.Hα-helixtrans-61.3-46.4172.9-176.9178.3178.71520.5111.3E93 S94 M95 S100 L101E93-R97 WeakPolarHBondContact O-CB 3.47Å; E93-R97 PolarHBondContact O-N 3.05Å; S94-R97 PolarHBondContact O-N 3.07Å; M95-R97 PolarHBondContact O-N 3.46Å; R97-S100 WeakPolarHBondContact O-CB 3.21Å; R97-S100 PolarHBondContact O-N 3.33Å; R97-L101 WeakPolarHBondContact O-CG 3.32Å; R97-L101 PolarHBondContact O-N 3.31Å; R97-L101 VanDerWaalsContact O-N 3.16Å
98I94.6Very high88.5Confident87 Ų8783 Ų8345%0.44642%0.415SS..Hα-helixtrans-67.4-41.2178.9-66.4166000110.6S94 M95 S100 L101 I102 L115S94-I98 VanDerWaalsContact O-CG1 3.26Å; S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 2.84Å; M95-I98 PolarHBondContact O-N 3.32Å; I98-S100 PolarHBondContact O-N 3.12Å; I98-L101 WeakPolarHBondContact O-CB 3.41Å; I98-L101 PolarHBondContact O-N 3.02Å; I98-I102 HydrophobicContact CG2-CD1 3.86Å; I98-I102 HydrophobicContact CG2-CG1 4.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 3.26Å; I98-L115 HydrophobicContact CB-CD2 3.99Å; I98-L115 HydrophobicContact CG2-CD2 3.62Å
99S93.4Very high86.9Confident1 Ų182.9 Ų82.91%0.00743%0.426CS..Hα-helixtrans-60.8-37.8176.657.80000111.9M95 D96 L101 I102 S103 G112M95-S99 PolarHBondContact O-N 2.85Å; M95-S99 PolarHBondContact O-OG 3.43Å; D96-S99 VanDerWaalsContact CA-OG 3.26Å; D96-S99 WeakPolarHBondContact CA-OG 3.41Å; D96-S99 PolarHBondContact O-N 3.35Å; D96-S99 PolarHBondContact O-OG 3.41Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 3.27Å; S99-I102 PolarHBondContact O-N 2.89Å; S99-S103 VanDerWaalsContact O-CB 3.32Å; S99-S103 WeakPolarHBondContact O-CB 3.47Å; S99-S103 PolarHBondContact O-N 3.35Å; S99-S103 PolarHBondContact O-OG 2.82Å; S99-G112 WeakPolarHBondContact CB-O 3.49Å
100S91.4Very high85.8Confident47 Ų4787 Ų8733%0.32946%0.455SS..Hα-helixtrans-65.3-35.4175-65.10000112.3D96 R97 I98 K104D96-S100 WeakPolarHBondContact O-CB 3.49Å; D96-S100 PolarHBondContact O-N 3.05Å; D96-S100 PolarHBondContact O-OG 3.15Å; R97-S100 WeakPolarHBondContact O-CB 3.21Å; R97-S100 PolarHBondContact O-N 3.33Å; I98-S100 PolarHBondContact O-N 3.12Å; S100-K104 VanDerWaalsContact O-CG 3.25Å; S100-K104 WeakPolarHBondContact O-CG 3.37Å; S100-K104 PolarHBondContact O-N 2.99Å
101L91.6Very high85.1Confident92 Ų9285.5 Ų85.548%0.48246%0.455SS..Hα-helixtrans-71.7-43175.1-68.5171.6000112R97 I98 S99 K104 N105R97-L101 WeakPolarHBondContact O-CG 3.32Å; R97-L101 PolarHBondContact O-N 3.31Å; R97-L101 VanDerWaalsContact O-N 3.16Å; I98-L101 WeakPolarHBondContact O-CB 3.41Å; I98-L101 PolarHBondContact O-N 3.02Å; S99-L101 VanDerWaalsContact C-N 3.33Å; S99-L101 PolarHBondContact O-N 3.27Å; L101-K104 PolarHBondContact O-N 3.17Å; L101-N105 PolarHBondContact O-N 3.35Å; L101-N105 PolarHBondContact O-ND2 3.29Å
102I89.2Confident84.7Confident58 Ų5881.7 Ų81.730%0.29744%0.435SS..Hα-helixtrans-61.1-47.6176.5-67.1171000110.2I98 S99 K104 N105 S106 P111 L115I98-I102 HydrophobicContact CG2-CD1 3.86Å; I98-I102 HydrophobicContact CG2-CG1 4.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.48Å; I98-I102 PolarHBondContact O-N 3.26Å; S99-I102 PolarHBondContact O-N 2.89Å; I102-K104 PolarHBondContact O-N 2.98Å; I102-N105 PolarHBondContact O-N 2.95Å; I102-N105 VanDerWaalsContact O-N 3.11Å; I102-S106 VanDerWaalsContact O-CB 3.28Å; I102-S106 WeakPolarHBondContact O-CB 3.49Å; I102-S106 PolarHBondContact O-N 3.38Å; I102-P111 HydrophobicContact CG2-CB 4.41Å; I102-L115 HydrophobicContact CD1-CD2 3.87Å
103S85.3Confident84.4Confident61 Ų6187 Ų8743%0.42746%0.46SS..Hα-helixtrans-65.2-26.2-177.8-540000113S99S99-S103 VanDerWaalsContact O-CB 3.32Å; S99-S103 WeakPolarHBondContact O-CB 3.47Å; S99-S103 PolarHBondContact O-N 3.35Å; S99-S103 PolarHBondContact O-OG 2.82Å
104K85Confident84.2Confident170 Ų17083.5 Ų83.574%0.73945%0.448SS*.Hα-helixtrans-78.3-30.4174.2-75.3175.2-176.1-175.80113.2S100 L101 I102S100-K104 VanDerWaalsContact O-CG 3.25Å; S100-K104 WeakPolarHBondContact O-CG 3.37Å; S100-K104 PolarHBondContact O-N 2.99Å; L101-K104 PolarHBondContact O-N 3.17Å; I102-K104 PolarHBondContact O-N 2.98Å
105N77.2Confident84.1Confident143 Ų14382.4 Ų82.477%0.76544%0.437SS*.Hα-helixtrans-98-10.9-174.7-69.2-25.8000113.7L101 I102L101-N105 PolarHBondContact O-N 3.35Å; L101-N105 PolarHBondContact O-ND2 3.29Å; I102-N105 PolarHBondContact O-N 2.95Å; I102-N105 VanDerWaalsContact O-N 3.11Å
106S67.1Low84Confident37 Ų3785.7 Ų85.726%0.25945%0.45SS..  trans-115.5124-177.1-176.30000110.9I102 Y108I102-S106 VanDerWaalsContact O-CB 3.28Å; I102-S106 WeakPolarHBondContact O-CB 3.49Å; I102-S106 PolarHBondContact O-N 3.38Å; S106-Y108 PolarHBondContact O-N 3.39Å; S106-Y108 PolarHBondContact OG-N 3.43Å; S106-Y108 PolarHBondContact OG-O 2.91Å
107N65.9Low84Confident169 Ų16986.2 Ų86.290%0.90445%0.45SS*.SBendtrans-70.2-7.7165.7-68.2-17000112.3
108Y55.8Low84Confident192 Ų19279.3 Ų79.375%0.75343%0.429SS*.  trans-105.2103.9176.7-60.5-81000108.9S106 S110S106-Y108 PolarHBondContact O-N 3.39Å; S106-Y108 PolarHBondContact OG-N 3.43Å; S106-Y108 PolarHBondContact OG-O 2.91Å; Y108-S110 VanDerWaalsContact C-N 3.25Å; Y108-S110 PolarHBondContact O-N 3.33Å
109G61.2Low84.1Confident46 Ų4675.1 Ų75.147%0.47441%0.408SS..  trans-68.7-9.9-171.300000116.6E113G109-E113 WeakPolarHBondContact O-CB 3.37Å; G109-E113 PolarHBondContact O-N 2.95Å
110S72.9Confident84.3Confident91 Ų9180 Ų8064%0.63643%0.432SS*.Hα-helixtrans-68.1-49.4-167.4168.70000115.3Y108 G112 E113 A114Y108-S110 VanDerWaalsContact C-N 3.25Å; Y108-S110 PolarHBondContact O-N 3.33Å; S110-G112 PolarHBondContact O-N 3Å; S110-E113 PolarHBondContact O-N 3.01Å; S110-A114 PolarHBondContact O-N 3.42Å; S110-A114 VanDerWaalsContact O-N 3.16Å
111P81.7Confident84.6Confident76 Ų7678 Ų7849%0.49442%0.419SS..Hα-helixtrans-69.6-35.1-175.9-20.433.1000113.4I102 L115I102-P111 HydrophobicContact CG2-CB 4.41Å; P111-L115 WeakPolarHBondContact O-CB 3.18Å; P111-L115 PolarHBondContact O-N 2.71Å
112G87.8Confident84.9Confident1 Ų175.5 Ų75.51%0.0140%0.404CS..Hα-helixtrans-68-41.5177.500000111.8S99 S110 L115 K116S99-G112 WeakPolarHBondContact CB-O 3.49Å; S110-G112 PolarHBondContact O-N 3Å; G112-L115 PolarHBondContact O-N 3.3Å; G112-K116 WeakPolarHBondContact O-CB 3.28Å; G112-K116 PolarHBondContact O-N 2.9Å
113E90.7Very high85.2Confident113 Ų11374.9 Ų74.953%0.52840%0.401SS..Hα-helixtrans-65.9-46.4179.1-174.6167.9-165.700112.2G109 S110 L115 K116 K117G109-E113 WeakPolarHBondContact O-CB 3.37Å; G109-E113 PolarHBondContact O-N 2.95Å; S110-E113 PolarHBondContact O-N 3.01Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.22Å; E113-K116 WeakPolarHBondContact O-CB 3.24Å; E113-K116 PolarHBondContact O-N 2.6Å; E113-K116 VanDerWaalsContact O-N 3.12Å; E113-K117 WeakPolarHBondContact O-CG 3.33Å; E113-K117 PolarHBondContact O-N 2.85Å
114A92.6Very high85.8Confident28 Ų2876 Ų7623%0.23140%0.4CS..Hα-helixtrans-59.9-43.8177.500000112.2S110 K116 K117 C118 I248S110-A114 PolarHBondContact O-N 3.42Å; S110-A114 VanDerWaalsContact O-N 3.16Å; A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 3.31Å; A114-K117 PolarHBondContact O-N 3.36Å; A114-C118 PolarHBondContact O-N 2.92Å; A114-I248 HydrophobicContact CB-CB 4.47Å; A114-I248 HydrophobicContact CB-CG1 4.11Å; A114-I248 HydrophobicContact CB-CG2 3.79Å
115L94.3Very high86.4Confident43 Ų4369 Ų6923%0.22537%0.37CS..Hα-helixtrans-62.3-39176.2-175.863.7000111.7M95 I98 I102 P111 G112 E113 C118 A119M95-L115 HydrophobicContact CB-CD1 4.11Å; M95-L115 HydrophobicContact CB-CG 4.4Å; M95-L115 HydrophobicContact CE-CD1 3.44Å; M95-L115 VanDerWaalsContact CE-CD1 3.44Å; M95-L115 HydrophobicContact CG-CD1 4.18Å; I98-L115 HydrophobicContact CB-CD2 3.99Å; I98-L115 HydrophobicContact CG2-CD2 3.62Å; I102-L115 HydrophobicContact CD1-CD2 3.87Å; P111-L115 WeakPolarHBondContact O-CB 3.18Å; P111-L115 PolarHBondContact O-N 2.71Å; G112-L115 PolarHBondContact O-N 3.3Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.22Å; L115-C118 PolarHBondContact O-N 3.38Å; L115-A119 WeakPolarHBondContact O-CB 3.46Å; L115-A119 PolarHBondContact O-N 3.48Å
116K94.8Very high87.3Confident101 Ų10162.2 Ų62.244%0.43933%0.334SS..Hα-helixtrans-63.9-41.9175.9-170.9176.3-175.8178.30112.2G112 E113 A114 A119 M120G112-K116 WeakPolarHBondContact O-CB 3.28Å; G112-K116 PolarHBondContact O-N 2.9Å; E113-K116 WeakPolarHBondContact O-CB 3.24Å; E113-K116 PolarHBondContact O-N 2.6Å; E113-K116 VanDerWaalsContact O-N 3.12Å; A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 3.31Å; K116-A119 WeakPolarHBondContact O-CB 3.49Å; K116-A119 PolarHBondContact O-N 3.34Å; K116-M120 WeakPolarHBondContact O-CG 3.42Å; K116-M120 PolarHBondContact O-N 2.97Å
117K95.4Very high88.6Confident68 Ų6865.1 Ų65.130%0.29634%0.343SS..Hα-helixtrans-62.5-43.4175.7-64.2-60.6-176.6175.80111.6E113 A114 A119 M120 A121 A247 I248E113-K117 WeakPolarHBondContact O-CG 3.33Å; E113-K117 PolarHBondContact O-N 2.85Å; A114-K117 PolarHBondContact O-N 3.36Å; K117-A119 VanDerWaalsContact C-N 3.35Å; K117-M120 PolarHBondContact O-N 3.31Å; K117-A121 PolarHBondContact O-N 2.9Å; K117-A247 HydrophobicContact CB-CB 4.39Å; K117-A247 HydrophobicContact CD-CB 3.82Å; K117-A247 HydrophobicContact CG-CB 3.92Å; K117-I248 HydrophobicContact CB-CD1 4.38Å; K117-I248 HydrophobicContact CB-CG1 3.96Å
118C96.2Very high90Very high41 Ų4157.8 Ų57.828%0.27731%0.305SS..Hα-helixtrans-64-40.8174.8-165.50000111.7M95 A114 L115 M120 A121 Q122 I248M95-C118 HydrophobicContact CE-CB 3.69Å; M95-C118 VanDerWaalsContact CE-SG 3.5Å; A114-C118 PolarHBondContact O-N 2.92Å; L115-C118 PolarHBondContact O-N 3.38Å; C118-M120 VanDerWaalsContact C-N 3.35Å; C118-M120 PolarHBondContact O-N 2.97Å; C118-A121 PolarHBondContact O-N 3.17Å; C118-Q122 WeakPolarHBondContact O-CG 3.46Å; C118-Q122 PolarHBondContact O-N 3.22Å; C118-I248 HydrophobicContact CB-CD1 4.38Å
119A97Very high91.9Very high0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-56.7-46.3174.600000112.2G92 M95 D96 L115 K116 K117 A121 Q122 I123G92-A119 WeakPolarHBondContact O-CB 3.47Å; M95-A119 HydrophobicContact CB-CB 3.57Å; D96-A119 HydrophobicContact CB-CB 3.93Å; L115-A119 WeakPolarHBondContact O-CB 3.46Å; L115-A119 PolarHBondContact O-N 3.48Å; K116-A119 WeakPolarHBondContact O-CB 3.49Å; K116-A119 PolarHBondContact O-N 3.34Å; K117-A119 VanDerWaalsContact C-N 3.35Å; A119-A121 PolarHBondContact O-N 3.02Å; A119-Q122 PolarHBondContact O-N 3.5Å; A119-I123 WeakPolarHBondContact O-CG1 3.44Å; A119-I123 PolarHBondContact O-N 2.88Å
120M96.8Very high93.3Very high104 Ų10451.9 Ų51.951%0.51227%0.269SS..Hα-helixtrans-59.7-43.8177.3-69.2173.26700112.1K116 K117 C118 I123 E124K116-M120 WeakPolarHBondContact O-CG 3.42Å; K116-M120 PolarHBondContact O-N 2.97Å; K117-M120 PolarHBondContact O-N 3.31Å; C118-M120 VanDerWaalsContact C-N 3.35Å; C118-M120 PolarHBondContact O-N 2.97Å; M120-I123 PolarHBondContact O-N 3.3Å; M120-E124 PolarHBondContact O-N 2.91Å
121A97.6Very high94.3Very high5 Ų553.2 Ų53.24%0.04126%0.264CS..Hα-helixtrans-63.8-40.7176.400000112.5K117 C118 A119 I123 E124 I125 A240 A244K117-A121 PolarHBondContact O-N 2.9Å; C118-A121 PolarHBondContact O-N 3.17Å; A119-A121 PolarHBondContact O-N 3.02Å; A121-I123 VanDerWaalsContact C-N 3.34Å; A121-I123 PolarHBondContact O-N 2.67Å; A121-E124 PolarHBondContact O-N 3.44Å; A121-I125 VanDerWaalsContact O-CG1 3.23Å; A121-I125 WeakPolarHBondContact O-CG1 3.47Å; A121-I125 PolarHBondContact O-N 2.99Å; A121-A240 HydrophobicContact CB-CB 4.47Å; A121-A244 HydrophobicContact CB-CB 3.64Å
122Q97.7Very high94.8Very high39 Ų3951 Ų5118%0.18225%0.247CC..Hα-helixtrans-62.9-40.4176.1-67.1-57.7-33.100112.3N88 L91 M95 C118 A119 G126N88-Q122 CarbonylContact C-O 3.43Å; N88-Q122 WeakPolarHBondContact CB-O 3.44Å; N88-Q122 CarbonylContact O-C 3.59Å; L91-Q122 HydrophobicContact CD2-CG 4.07Å; L91-Q122 HydrophobicContact CG-CG 4.32Å; M95-Q122 HydrophobicContact SD-CG 4.07Å; C118-Q122 WeakPolarHBondContact O-CG 3.46Å; C118-Q122 PolarHBondContact O-N 3.22Å; A119-Q122 PolarHBondContact O-N 3.5Å; Q122-G126 PolarHBondContact O-N 3.27Å
123I97.3Very high95Very high45 Ų4553.5 Ų53.523%0.23126%0.259CS..Hα-helixtrans-61.5-46.4173.9-66.1170.2000110.4A119 M120 A121 G126 Q127A119-I123 WeakPolarHBondContact O-CG1 3.44Å; A119-I123 PolarHBondContact O-N 2.88Å; M120-I123 PolarHBondContact O-N 3.3Å; A121-I123 VanDerWaalsContact C-N 3.34Å; A121-I123 PolarHBondContact O-N 2.67Å; I123-G126 PolarHBondContact O-N 3.48Å; I123-Q127 HydrophobicContact CG2-CG 4.29Å; I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.48Å; I123-Q127 PolarHBondContact O-N 3.04Å
124E97Very high95Very high85 Ų8554.7 Ų54.740%0.39726%0.264SS..Hα-helixtrans-63.7-42.9179.9-173.5174-171.100112.5M120 A121 G126 Q127 S128 A240M120-E124 PolarHBondContact O-N 2.91Å; A121-E124 PolarHBondContact O-N 3.44Å; E124-G126 VanDerWaalsContact C-N 3.32Å; E124-G126 PolarHBondContact O-N 2.87Å; E124-Q127 PolarHBondContact O-N 3.22Å; E124-S128 WeakPolarHBondContact O-CB 3.48Å; E124-S128 PolarHBondContact O-N 2.69Å; E124-A240 HydrophobicContact CB-CB 3.96Å; E124-A240 HydrophobicContact CG-CB 3.83Å; E124-A240 VanDerWaalsContact OE2-CB 3.27Å; E124-A240 WeakPolarHBondContact OE2-CB 3.41Å
125I97.4Very high94.9Very high23 Ų2355.3 Ų55.312%0.11827%0.265CS..Hα-helixtrans-57-47.6173.3-69.9164.7000110.2N88 A121 S128 E129 C237 A240 V241N88-I125 HydrophobicContact CB-CB 4.49Å; N88-I125 HydrophobicContact CB-CG2 4.13Å; A121-I125 VanDerWaalsContact O-CG1 3.23Å; A121-I125 WeakPolarHBondContact O-CG1 3.47Å; A121-I125 PolarHBondContact O-N 2.99Å; I125-S128 WeakPolarHBondContact O-CB 3.49Å; I125-S128 PolarHBondContact O-N 3.12Å; I125-E129 WeakPolarHBondContact O-CB 3.49Å; I125-E129 PolarHBondContact O-N 3.17Å; I125-C237 HydrophobicContact CG1-CB 4.27Å; I125-A240 HydrophobicContact CG1-CB 4.28Å; I125-V241 HydrophobicContact CD1-CG2 3.79Å
126G95.8Very high94.9Very high0 Ų053.6 Ų53.60%026%0.256CS..Hα-helixtrans-70.8-33.8-178.600000114.1S86 Q122 I123 E124 E129 R130S86-G126 WeakPolarHBondContact OG-CA 3.25Å; Q122-G126 PolarHBondContact O-N 3.27Å; I123-G126 PolarHBondContact O-N 3.48Å; E124-G126 VanDerWaalsContact C-N 3.32Å; E124-G126 PolarHBondContact O-N 2.87Å; G126-E129 WeakPolarHBondContact O-CB 3.43Å; G126-E129 PolarHBondContact O-N 3.4Å; G126-R130 PolarHBondContact O-N 3.22Å
127Q95.5Very high94.7Very high97 Ų9750.2 Ų50.245%0.45325%0.246SC..Hα-helixtrans-62.4-43.9169.6-73.6175.10.500111.6I123 E124 E129 R130 K131I123-Q127 HydrophobicContact CG2-CG 4.29Å; I123-Q127 WeakPolarHBondContact O-CB 3.39Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.48Å; I123-Q127 PolarHBondContact O-N 3.04Å; E124-Q127 PolarHBondContact O-N 3.22Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; Q127-R130 PolarHBondContact O-N 2.9Å; Q127-K131 PolarHBondContact O-N 2.96Å; Q127-K131 VanDerWaalsContact O-N 3.07Å
128S95.7Very high94.4Very high15 Ų1550 Ų5011%0.10525%0.253CS..Hα-helixtrans-61.7-40.6175.1-177.70000111.7E124 I125 K131 L132 H233E124-S128 WeakPolarHBondContact O-CB 3.48Å; E124-S128 PolarHBondContact O-N 2.69Å; I125-S128 WeakPolarHBondContact O-CB 3.49Å; I125-S128 PolarHBondContact O-N 3.12Å; S128-K131 PolarHBondContact O-N 3.4Å; S128-L132 PolarHBondContact O-N 3.16Å; S128-H233 PolarHBondContact O-ND1 3.27Å; S128-H233 WeakPolarHBondContact OG-CA 3.45Å; S128-H233 PolarHBondContact OG-ND1 3.42Å; S128-H233 PolarHBondContact OG-O 3.35Å
129E94.1Very high94.2Very high50 Ų5051.5 Ų51.523%0.23426%0.256CS..Hα-helixtrans-61.4-46.4175.8-174.3-173.717900111.9S86 N88 I125 G126 Q127 K131 L132 Q133 H233S86-E129 VanDerWaalsContact CB-OE2 3.28Å; S86-E129 WeakPolarHBondContact CB-OE2 3.2Å; S86-E129 PolarHBondContact OG-OE2 3.03Å; N88-E129 PolarHBondContact ND2-OE2 3.44Å; N88-E129 VanDerWaalsContact ND2-OE2 3.08Å; I125-E129 WeakPolarHBondContact O-CB 3.49Å; I125-E129 PolarHBondContact O-N 3.17Å; G126-E129 WeakPolarHBondContact O-CB 3.43Å; G126-E129 PolarHBondContact O-N 3.4Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.42Å; E129-L132 WeakPolarHBondContact O-CB 3.41Å; E129-L132 PolarHBondContact O-N 3.04Å; E129-Q133 WeakPolarHBondContact O-CG 3.39Å; E129-Q133 PolarHBondContact O-N 2.93Å; E129-H233 PolarHBondContact N-CE1 2.96Å; E129-H233 PolarHBondContact N-ND1 3.16Å
130R91.7Very high94.1Very high65 Ų6551.7 Ų51.725%0.24526%0.257CS..Hα-helixtrans-60.9-42.6175.4-71.2-164.5-52-131.3-10.3112.2R84 E89 G126 Q127 L132 Q133 E134R84-R130 WeakPolarHBondContact O-CD 3.39Å; E89-R130 IonicContact OE1-CZ 3.3Å; E89-R130 IonicContact OE1-NE 3.59Å; E89-R130 IonicContact OE1-NH1 2.8Å; E89-R130 PolarHBondContact OE1-NH1 2.94Å; E89-R130 IonicContact OE1-NH2 3.64Å; E89-R130 PolarHBondContact OE1-NH2 3.2Å; E89-R130 WeakPolarHBondContact OE2-CD 3.38Å; E89-R130 IonicContact OE2-CZ 3.69Å; E89-R130 IonicContact OE2-NE 3.57Å; E89-R130 PolarHBondContact OE2-NE 3.37Å; E89-R130 IonicContact OE2-NH1 3.82Å; E89-R130 PolarHBondContact OE2-NH1 3.44Å; E89-R130 IonicContact OE2-NH2 2.91Å; G126-R130 PolarHBondContact O-N 3.22Å; Q127-R130 PolarHBondContact O-N 2.9Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 3.37Å; R130-Q133 WeakPolarHBondContact O-CB 3.39Å; R130-Q133 PolarHBondContact O-N 3.47Å; R130-E134 WeakPolarHBondContact O-CB 3.42Å; R130-E134 PolarHBondContact O-N 2.92Å
131K92.8Very high94Very high119 Ų11946.8 Ų46.852%0.51723%0.233SC..Hα-helixtrans-61.7-40.4177-174.8-177.5175.9-168.30111.6Q127 S128 E129 T135Q127-K131 PolarHBondContact O-N 2.96Å; Q127-K131 VanDerWaalsContact O-N 3.07Å; S128-K131 PolarHBondContact O-N 3.4Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.42Å; K131-T135 WeakPolarHBondContact O-CB 3.22Å; K131-T135 PolarHBondContact O-N 2.8Å; K131-T135 PolarHBondContact O-OG1 3.2Å
132L93.8Very high93.7Very high29 Ų2950.1 Ų50.115%0.15225%0.252CS..Hα-helixtrans-59.5-51.4173174.964.6000110.8S128 E129 R130 E134 T135 V136 A229 Q230 H233S128-L132 PolarHBondContact O-N 3.16Å; E129-L132 WeakPolarHBondContact O-CB 3.41Å; E129-L132 PolarHBondContact O-N 3.04Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 3.37Å; L132-E134 VanDerWaalsContact C-N 3.33Å; L132-E134 PolarHBondContact O-N 3.19Å; L132-T135 PolarHBondContact O-N 2.98Å; L132-V136 HydrophobicContact CD1-CG2 3.77Å; L132-V136 HydrophobicContact CG-CG2 4.31Å; L132-V136 VanDerWaalsContact O-CG2 3.3Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3Å; L132-A229 HydrophobicContact CD1-CB 3.82Å; L132-Q230 HydrophobicContact CD1-CB 4.5Å; L132-Q230 HydrophobicContact CD1-CG 3.93Å; L132-H233 HydrophobicContact CB-CB 4.04Å; L132-H233 HydrophobicContact CD1-CB 4.3Å; L132-H233 HydrophobicContact CD2-CB 4.05Å; L132-H233 HydrophobicContact CG-CB 4.36Å
133Q92Very high93.7Very high53 Ų5349.4 Ų49.425%0.24825%0.248CC..Hα-helixtrans-57.3-44.2179.9-72.7175.3-0.600112.2I62 E129 R130 S137I62-Q133 HydrophobicContact CB-CG 4.42Å; I62-Q133 HydrophobicContact CG2-CB 3.88Å; I62-Q133 HydrophobicContact CG2-CG 3.87Å; I62-Q133 PolarHBondContact O-NE2 3.47Å; E129-Q133 WeakPolarHBondContact O-CG 3.39Å; E129-Q133 PolarHBondContact O-N 2.93Å; R130-Q133 WeakPolarHBondContact O-CB 3.39Å; R130-Q133 PolarHBondContact O-N 3.47Å; Q133-S137 WeakPolarHBondContact O-CB 3.43Å; Q133-S137 PolarHBondContact O-N 3.37Å; Q133-S137 PolarHBondContact O-OG 3.26Å
134E89.9Confident93.7Very high138 Ų13847.3 Ų47.365%0.64524%0.237SC*.Hα-helixtrans-63.4-47176.5-175.5-178.9-177.300111.7R130 L132 S137 S138R130-E134 WeakPolarHBondContact O-CB 3.42Å; R130-E134 PolarHBondContact O-N 2.92Å; L132-E134 VanDerWaalsContact C-N 3.33Å; L132-E134 PolarHBondContact O-N 3.19Å; E134-S137 PolarHBondContact O-N 3.07Å; E134-S138 WeakPolarHBondContact O-CB 3.15Å; E134-S138 PolarHBondContact O-N 3Å; E134-S138 PolarHBondContact O-OG 2.67Å
135T91Very high93.6Very high41 Ų4146.4 Ų46.425%0.25223%0.23SC..Hα-helixtrans-65.2-45.6-179.3-53.70000111.3K131 L132 S137 S138 E139 A229K131-T135 WeakPolarHBondContact O-CB 3.22Å; K131-T135 PolarHBondContact O-N 2.8Å; K131-T135 PolarHBondContact O-OG1 3.2Å; L132-T135 PolarHBondContact O-N 2.98Å; T135-S137 VanDerWaalsContact C-N 3.31Å; T135-S137 PolarHBondContact O-N 3.24Å; T135-S138 PolarHBondContact O-N 3.34Å; T135-S138 PolarHBondContact O-OG 2.81Å; T135-E139 HydrophobicContact CG2-CG 4.26Å; T135-E139 VanDerWaalsContact O-CB 3.27Å; T135-E139 WeakPolarHBondContact O-CB 3.37Å; T135-E139 VanDerWaalsContact O-CG 3.31Å; T135-E139 WeakPolarHBondContact O-CG 3.31Å; T135-E139 PolarHBondContact O-N 3.08Å; T135-A229 HydrophobicContact CG2-CB 3.64Å
136V92.7Very high93.5Very high7 Ų748.5 Ų48.54%0.04225%0.247CC..Hα-helixtrans-65.7-37.5177.9178.60000111.2L58 I62 L132 Y140 I141 L226L58-V136 HydrophobicContact CD2-CG1 4.19Å; I62-V136 HydrophobicContact CD1-CB 3.85Å; I62-V136 HydrophobicContact CD1-CG1 3.7Å; I62-V136 HydrophobicContact CG1-CG1 4.41Å; L132-V136 HydrophobicContact CD1-CG2 3.77Å; L132-V136 HydrophobicContact CG-CG2 4.31Å; L132-V136 VanDerWaalsContact O-CG2 3.3Å; L132-V136 WeakPolarHBondContact O-CG2 3.45Å; L132-V136 PolarHBondContact O-N 3Å; V136-Y140 PolarHBondContact O-N 3.24Å; V136-I141 HydrophobicContact CG1-CG1 4.49Å; V136-I141 PolarHBondContact O-N 3.4Å; V136-I141 VanDerWaalsContact O-N 3.09Å; V136-L226 HydrophobicContact CB-CD1 4.38Å; V136-L226 HydrophobicContact CG1-CD1 3.85Å; V136-L226 HydrophobicContact CG2-CD1 3.57Å
137S91.2Very high93.6Very high31 Ų3148.5 Ų48.522%0.21725%0.247CC..Iπ-helixtrans-64.9-50.4177-66.50000112.1I62 Q133 E134 T135 T142I62-S137 WeakPolarHBondContact CD1-OG 3.45Å; Q133-S137 WeakPolarHBondContact O-CB 3.43Å; Q133-S137 PolarHBondContact O-N 3.37Å; Q133-S137 PolarHBondContact O-OG 3.26Å; E134-S137 PolarHBondContact O-N 3.07Å; T135-S137 VanDerWaalsContact C-N 3.31Å; T135-S137 PolarHBondContact O-N 3.24Å; S137-T142 PolarHBondContact O-N 2.85Å; S137-T142 PolarHBondContact O-OG1 3.48Å
138S90.2Very high93.7Very high64 Ų6445.9 Ų45.945%0.44824%0.235SC..Iπ-helixtrans-70.7-32.9-176.253.90000113E134 T135 T142E134-S138 WeakPolarHBondContact O-CB 3.15Å; E134-S138 PolarHBondContact O-N 3Å; E134-S138 PolarHBondContact O-OG 2.67Å; T135-S138 PolarHBondContact O-N 3.34Å; T135-S138 PolarHBondContact O-OG 2.81Å; S138-T142 VanDerWaalsContact O-CB 3.24Å; S138-T142 WeakPolarHBondContact O-CB 3.49Å; S138-T142 PolarHBondContact O-OG1 3.3Å; S138-T142 VanDerWaalsContact O-OG1 3.07Å
139E91.1Very high93.8Very high71 Ų7148.3 Ų48.333%0.33226%0.256SS..Iπ-helixtrans-91.3-81.3-178.8-61.5-70.9177.400111.9T135 W143 K225T135-E139 HydrophobicContact CG2-CG 4.26Å; T135-E139 VanDerWaalsContact O-CB 3.27Å; T135-E139 WeakPolarHBondContact O-CB 3.37Å; T135-E139 VanDerWaalsContact O-CG 3.31Å; T135-E139 WeakPolarHBondContact O-CG 3.31Å; T135-E139 PolarHBondContact O-N 3.08Å; E139-W143 WeakPolarHBondContact O-CB 3.43Å; E139-W143 PolarHBondContact O-N 2.88Å; E139-W143 VanDerWaalsContact O-N 3.09Å; E139-K225 HydrophobicContact CB-CB 4.44Å; E139-K225 HydrophobicContact CB-CD 4.28Å; E139-K225 HydrophobicContact CG-CD 4.19Å; E139-K225 WeakPolarHBondContact OE2-CD 3.42Å; E139-K225 WeakPolarHBondContact OE2-CE 3.35Å; E139-K225 IonicContact OE2-NZ 3.37Å; E139-K225 PolarHBondContact OE2-NZ 3.48Å
140Y94.6Very high93.9Very high5 Ų548.8 Ų48.82%0.0227%0.265CS..Iπ-helixtrans-78.6-37.6-165-170.1-144000113.5I54 L58 V136 W143 L144 Q219 E222 L223 L226I54-Y140 HydrophobicContact CG2-CE1 3.95Å; L58-Y140 HydrophobicContact CD1-CD1 3.32Å; L58-Y140 HydrophobicContact CD1-CE1 3.55Å; L58-Y140 HydrophobicContact CD1-CG 4.28Å; V136-Y140 PolarHBondContact O-N 3.24Å; Y140-W143 AromaticContact CD2-CE3 3.98Å; Y140-W143 HydrophobicContact CD2-CE3 3.98Å; Y140-W143 AromaticContact CE2-CE3 3.73Å; Y140-W143 HydrophobicContact CE2-CE3 3.73Å; Y140-W143 AromaticContact CE2-CZ3 3.91Å; Y140-W143 HydrophobicContact CE2-CZ3 3.91Å; Y140-W143 PolarHBondContact O-N 3.49Å; Y140-L144 HydrophobicContact CD1-CD1 4.23Å; Y140-L144 HydrophobicContact CD2-CD1 4.37Å; Y140-L144 HydrophobicContact CD2-CG 4.24Å; Y140-L144 HydrophobicContact CE1-CD1 4.04Å; Y140-L144 HydrophobicContact CE2-CD1 4.2Å; Y140-L144 HydrophobicContact CE2-CD2 4.3Å; Y140-L144 HydrophobicContact CE2-CG 4Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CG 3.27Å; Y140-L144 PolarHBondContact O-N 2.72Å; Y140-Q219 PolarHBondContact OH-OE1 2.89Å; Y140-E222 HydrophobicContact CD2-CB 3.74Å; Y140-E222 HydrophobicContact CE2-CB 4.19Å; Y140-L223 HydrophobicContact CE1-CD2 3.78Å; Y140-L223 HydrophobicContact CE2-CD2 4.28Å; Y140-L223 WeakPolarHBondContact OH-CD2 3.45Å; Y140-L226 HydrophobicContact CD1-CB 4.4Å; Y140-L226 HydrophobicContact CD1-CD2 3.83Å; Y140-L226 HydrophobicContact CE1-CD2 4.08Å
141I94Very high94.2Very high1 Ų147.8 Ų47.81%0.00526%0.264CS..Iπ-helixtrans-64.9-44.1175.4-74.1-177.1000111L55 L58 E59 I62 V136 W143 L144 R145L55-I141 HydrophobicContact CD1-CB 4.32Å; L55-I141 HydrophobicContact CD1-CG1 4.23Å; L55-I141 HydrophobicContact CD1-CG2 3.82Å; L58-I141 HydrophobicContact CB-CD1 4.04Å; L58-I141 HydrophobicContact CB-CG1 3.99Å; L58-I141 HydrophobicContact CD1-CG1 4.3Å; E59-I141 HydrophobicContact CG-CD1 4.14Å; I62-I141 HydrophobicContact CD1-CD1 3.32Å; I62-I141 HydrophobicContact CD1-CG1 4.46Å; I62-I141 HydrophobicContact CG1-CD1 4.45Å; V136-I141 HydrophobicContact CG1-CG1 4.49Å; V136-I141 PolarHBondContact O-N 3.4Å; V136-I141 VanDerWaalsContact O-N 3.09Å; I141-W143 VanDerWaalsContact C-N 3.32Å; I141-W143 PolarHBondContact O-N 3.12Å; I141-L144 PolarHBondContact O-N 2.99Å; I141-R145 WeakPolarHBondContact O-CB 3.36Å; I141-R145 WeakPolarHBondContact O-CG 3.5Å; I141-R145 PolarHBondContact O-N 3.36Å
142T93.1Very high94.4Very high74 Ų7442.4 Ų42.445%0.45424%0.241SC..Hα-helixtrans-58.3-45.8174.9-62.30000111.3S137 S138 R145 S146S137-T142 PolarHBondContact O-N 2.85Å; S137-T142 PolarHBondContact O-OG1 3.48Å; S138-T142 VanDerWaalsContact O-CB 3.24Å; S138-T142 WeakPolarHBondContact O-CB 3.49Å; S138-T142 PolarHBondContact O-OG1 3.3Å; S138-T142 VanDerWaalsContact O-OG1 3.07Å; T142-R145 PolarHBondContact O-N 3.45Å; T142-S146 WeakPolarHBondContact O-CB 3.43Å; T142-S146 PolarHBondContact O-N 3.42Å
143W96.5Very high94.6Very high25 Ų2546.5 Ų46.510%0.09526%0.258CS..Hα-helixtrans-60.4-47.6176.7179.697.7000112.4E139 Y140 I141 R145 S146 Y147 K215 F216 Q219 E222E139-W143 WeakPolarHBondContact O-CB 3.43Å; E139-W143 PolarHBondContact O-N 2.88Å; E139-W143 VanDerWaalsContact O-N 3.09Å; Y140-W143 AromaticContact CD2-CE3 3.98Å; Y140-W143 HydrophobicContact CD2-CE3 3.98Å; Y140-W143 AromaticContact CE2-CE3 3.73Å; Y140-W143 HydrophobicContact CE2-CE3 3.73Å; Y140-W143 AromaticContact CE2-CZ3 3.91Å; Y140-W143 HydrophobicContact CE2-CZ3 3.91Å; Y140-W143 PolarHBondContact O-N 3.49Å; I141-W143 VanDerWaalsContact C-N 3.32Å; I141-W143 PolarHBondContact O-N 3.12Å; W143-R145 VanDerWaalsContact C-N 3.32Å; W143-R145 PolarHBondContact O-N 3.13Å; W143-S146 WeakPolarHBondContact O-CB 3.35Å; W143-S146 PolarHBondContact O-N 3.03Å; W143-Y147 WeakPolarHBondContact O-CB 3.35Å; W143-Y147 PolarHBondContact O-N 2.92Å; W143-K215 WeakPolarHBondContact CZ2-O 3.48Å; W143-F216 HydrophobicContact CH2-CD2 4.31Å; W143-Q219 HydrophobicContact CH2-CB 3.33Å; W143-Q219 HydrophobicContact CH2-CG 4.34Å; W143-Q219 HydrophobicContact CZ2-CB 3.58Å; W143-Q219 HydrophobicContact CZ3-CB 3.89Å; W143-E222 HydrophobicContact CB-CG 4.12Å; W143-E222 VanDerWaalsContact CD1-OE1 3.25Å; W143-E222 HydrophobicContact CD2-CG 4.02Å; W143-E222 HydrophobicContact CG-CG 3.66Å; W143-E222 PolarHBondContact NE1-OE1 2.99Å; W143-E222 VanDerWaalsContact NE1-OE1 3.12Å
144L97.1Very high94.9Very high0 Ų047.2 Ų47.20%026%0.263CS..Hα-helixtrans-59-43.5178.1-79.1167.1000111.6A51 I54 L55 L58 Y140 I141 Y147 I148A51-L144 HydrophobicContact CB-CD2 4.02Å; I54-L144 HydrophobicContact CB-CD1 4.47Å; I54-L144 HydrophobicContact CG2-CD1 3.82Å; L55-L144 HydrophobicContact CB-CB 4.35Å; L55-L144 HydrophobicContact CB-CD1 4.15Å; L55-L144 HydrophobicContact CD1-CB 4.28Å; L58-L144 HydrophobicContact CD1-CD1 3.58Å; Y140-L144 HydrophobicContact CD1-CD1 4.23Å; Y140-L144 HydrophobicContact CD2-CD1 4.37Å; Y140-L144 HydrophobicContact CD2-CG 4.24Å; Y140-L144 HydrophobicContact CE1-CD1 4.04Å; Y140-L144 HydrophobicContact CE2-CD1 4.2Å; Y140-L144 HydrophobicContact CE2-CD2 4.3Å; Y140-L144 HydrophobicContact CE2-CG 4Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CG 3.27Å; Y140-L144 PolarHBondContact O-N 2.72Å; I141-L144 PolarHBondContact O-N 2.99Å; L144-Y147 PolarHBondContact O-N 3.21Å; L144-I148 WeakPolarHBondContact O-CB 3.19Å; L144-I148 WeakPolarHBondContact O-CD1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 3.33Å
145R95.5Very high95.2Very high67 Ų6740.9 Ų40.925%0.25323%0.234SC..Hα-helixtrans-64.2-43.3177-74.4173.5174.2175.8-7112.3L55 E59 I141 T142 W143 I148 A149L55-R145 HydrophobicContact CD1-CG 4.13Å; L55-R145 HydrophobicContact CD2-CG 3.84Å; E59-R145 IonicContact OE1-CZ 3.91Å; E59-R145 IonicContact OE1-NE 2.97Å; E59-R145 IonicContact OE1-NH2 3.58Å; E59-R145 PolarHBondContact OE1-NH2 3.47Å; I141-R145 WeakPolarHBondContact O-CB 3.36Å; I141-R145 WeakPolarHBondContact O-CG 3.5Å; I141-R145 PolarHBondContact O-N 3.36Å; T142-R145 PolarHBondContact O-N 3.45Å; W143-R145 VanDerWaalsContact C-N 3.32Å; W143-R145 PolarHBondContact O-N 3.13Å; R145-I148 PolarHBondContact O-N 3.43Å; R145-A149 WeakPolarHBondContact O-CB 3.34Å; R145-A149 PolarHBondContact O-N 3.09Å
146S95.9Very high95.5Very high67 Ų6744 Ų4447%0.46924%0.244SC..Hα-helixtrans-59.7-50.7176.2179.30000110.6T142 W143 I148 A149 S150T142-S146 WeakPolarHBondContact O-CB 3.43Å; T142-S146 PolarHBondContact O-N 3.42Å; W143-S146 WeakPolarHBondContact O-CB 3.35Å; W143-S146 PolarHBondContact O-N 3.03Å; S146-I148 PolarHBondContact O-N 3.49Å; S146-A149 PolarHBondContact O-N 3.09Å; S146-S150 WeakPolarHBondContact O-CB 3.5Å; S146-S150 PolarHBondContact O-N 3.07Å
147Y97.8Very high95.7Very high0 Ų047.7 Ų47.70%026%0.261CS..Hα-helixtrans-55.7-47.4176.5169.2-108.7000112.8A51 W143 L144 E151 A152 S212 K215 F216A51-Y147 HydrophobicContact CB-CD1 3.68Å; A51-Y147 HydrophobicContact CB-CE1 3.59Å; W143-Y147 WeakPolarHBondContact O-CB 3.35Å; W143-Y147 PolarHBondContact O-N 2.92Å; L144-Y147 PolarHBondContact O-N 3.21Å; Y147-E151 WeakPolarHBondContact CA-OE2 3.45Å; Y147-E151 HydrophobicContact CD2-CB 4.07Å; Y147-E151 HydrophobicContact CE2-CB 4.15Å; Y147-E151 PolarHBondContact O-N 2.65Å; Y147-A152 HydrophobicContact CE1-CB 4.14Å; Y147-A152 HydrophobicContact CE2-CB 4.4Å; Y147-A152 PolarHBondContact O-N 2.77Å; Y147-S212 VanDerWaalsContact CE2-O 3.25Å; Y147-S212 WeakPolarHBondContact CE2-O 3.38Å; Y147-S212 WeakPolarHBondContact CE2-OG 3.43Å; Y147-S212 PolarHBondContact OH-O 3.33Å; Y147-S212 PolarHBondContact OH-OG 3Å; Y147-K215 HydrophobicContact CD2-CB 4.23Å; Y147-K215 HydrophobicContact CD2-CG 3.79Å; Y147-K215 HydrophobicContact CE2-CB 4.31Å; Y147-K215 HydrophobicContact CE2-CG 4.36Å; Y147-F216 HydrophobicContact CD1-CD2 4.19Å; Y147-F216 HydrophobicContact CE1-CB 4.25Å; Y147-F216 AromaticContact CE1-CD2 3.69Å; Y147-F216 HydrophobicContact CE1-CD2 3.69Å; Y147-F216 HydrophobicContact CE1-CG 4.37Å; Y147-F216 HydrophobicContact CE2-CB 3.98Å
148I97.6Very high96Very high41 Ų4146.9 Ų46.921%0.2125%0.254CS..Hα-helixtrans-66.1-42-179.3-68.8162.5000111.2A51 V52 L55 L144 R145 S146 K153A51-I148 HydrophobicContact CB-CD1 4.09Å; A51-I148 HydrophobicContact CB-CG1 3.95Å; V52-I148 HydrophobicContact CG2-CD1 3.87Å; V52-I148 HydrophobicContact CG2-CG1 4.25Å; V52-I148 HydrophobicContact CG2-CG2 4.35Å; L55-I148 HydrophobicContact CB-CD1 4.44Å; L55-I148 HydrophobicContact CD2-CD1 3.79Å; L144-I148 WeakPolarHBondContact O-CB 3.19Å; L144-I148 WeakPolarHBondContact O-CD1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 3.33Å; R145-I148 PolarHBondContact O-N 3.43Å; S146-I148 PolarHBondContact O-N 3.49Å; I148-K153 WeakPolarHBondContact O-CB 3.04Å; I148-K153 PolarHBondContact O-N 2.93Å
149A96.4Very high96.4Very high66 Ų6646.8 Ų46.855%0.54524%0.243SC..Hα-helixtrans-80.8-19.5-175.100000114R145 S146 K153R145-A149 WeakPolarHBondContact O-CB 3.34Å; R145-A149 PolarHBondContact O-N 3.09Å; S146-A149 PolarHBondContact O-N 3.09Å; A149-K153 WeakPolarHBondContact O-CB 3.25Å; A149-K153 VanDerWaalsContact O-CD 3.32Å; A149-K153 WeakPolarHBondContact O-CD 3.4Å
150S97.2Very high96.6Very high61 Ų6147.5 Ų47.543%0.42725%0.249SC..THydrogen-bonded Turntrans-109-87.9-178177.50000110.9S146 A152 K153 L154S146-S150 WeakPolarHBondContact O-CB 3.5Å; S146-S150 PolarHBondContact O-N 3.07Å; S150-A152 PolarHBondContact O-N 3.07Å; S150-K153 PolarHBondContact O-N 3.41Å; S150-L154 WeakPolarHBondContact O-CB 3.48Å; S150-L154 PolarHBondContact O-N 3.17Å
151E97.7Very high96.7Very high44 Ų4451.9 Ų51.921%0.20627%0.269CS..Hα-helixtrans-63.4-48.3-168.7-66.383.7168.600111.9Y147 K153 L154 A155 K215Y147-E151 WeakPolarHBondContact CA-OE2 3.45Å; Y147-E151 HydrophobicContact CD2-CB 4.07Å; Y147-E151 HydrophobicContact CE2-CB 4.15Å; Y147-E151 PolarHBondContact O-N 2.65Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.19Å; E151-L154 PolarHBondContact O-N 2.66Å; E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 3.1Å; E151-K215 HydrophobicContact CG-CB 4.32Å; E151-K215 HydrophobicContact CG-CG 4.14Å
152A97.4Very high96.9Very high5 Ų551.9 Ų51.94%0.04127%0.269CS..Hα-helixtrans-68.7-34.2-178.900000112.1R48 Y147 S150 K156R48-A152 HydrophobicContact CB-CB 4.33Å; R48-A152 HydrophobicContact CG-CB 4.02Å; Y147-A152 HydrophobicContact CE1-CB 4.14Å; Y147-A152 HydrophobicContact CE2-CB 4.4Å; Y147-A152 PolarHBondContact O-N 2.77Å; S150-A152 PolarHBondContact O-N 3.07Å; A152-K156 WeakPolarHBondContact O-CB 3.27Å; A152-K156 PolarHBondContact O-N 2.87Å; A152-K156 VanDerWaalsContact O-N 3.12Å
153K97.6Very high96.9Very high116 Ų11650.8 Ų50.850%0.50426%0.259SS..Hα-helixtrans-68.1-45175.1-176.2-177.5179.7-1770111I148 A149 S150 E151 K156 Q157I148-K153 WeakPolarHBondContact O-CB 3.04Å; I148-K153 PolarHBondContact O-N 2.93Å; A149-K153 WeakPolarHBondContact O-CB 3.25Å; A149-K153 VanDerWaalsContact O-CD 3.32Å; A149-K153 WeakPolarHBondContact O-CD 3.4Å; S150-K153 PolarHBondContact O-N 3.41Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.19Å; K153-K156 WeakPolarHBondContact O-CB 3.39Å; K153-K156 PolarHBondContact O-N 3.13Å; K153-Q157 WeakPolarHBondContact O-CG 3.3Å; K153-Q157 PolarHBondContact O-N 2.97Å
154L97.9Very high96.9Very high67 Ų6752.2 Ų52.235%0.35127%0.268SS..Hα-helixtrans-62.9-47.3177.9-177.963000110.8S150 E151 K156 Q157 E158S150-L154 WeakPolarHBondContact O-CB 3.48Å; S150-L154 PolarHBondContact O-N 3.17Å; E151-L154 PolarHBondContact O-N 2.66Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.37Å; L154-Q157 WeakPolarHBondContact O-CB 3.46Å; L154-Q157 PolarHBondContact O-N 3.38Å; L154-E158 HydrophobicContact CD1-CG 4.42Å; L154-E158 WeakPolarHBondContact O-CG 3.4Å; L154-E158 PolarHBondContact O-N 3.11Å
155A97.7Very high96.8Very high5 Ų553.1 Ų53.14%0.04128%0.276CS..Hα-helixtrans-57.3-39.617600000112.2E151 R159 L209E151-A155 WeakPolarHBondContact O-CB 3.28Å; E151-A155 PolarHBondContact O-N 3.1Å; A155-R159 WeakPolarHBondContact O-CG 3.42Å; A155-R159 PolarHBondContact O-N 3.19Å; A155-R159 VanDerWaalsContact O-N 3.09Å; A155-L209 HydrophobicContact CB-CD2 4.05Å
156K96.6Very high96.8Very high106 Ų10650 Ų5046%0.46126%0.263SS..Hα-helixtrans-63.7-47.2172.5-173.6-172.1175.4-169.80112A152 K153 L154 E158 R159 D160A152-K156 WeakPolarHBondContact O-CB 3.27Å; A152-K156 PolarHBondContact O-N 2.87Å; A152-K156 VanDerWaalsContact O-N 3.12Å; K153-K156 WeakPolarHBondContact O-CB 3.39Å; K153-K156 PolarHBondContact O-N 3.13Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.37Å; K156-E158 VanDerWaalsContact C-N 3.32Å; K156-E158 PolarHBondContact O-N 3.5Å; K156-R159 WeakPolarHBondContact O-CB 3.49Å; K156-R159 PolarHBondContact O-N 2.89Å; K156-R159 VanDerWaalsContact O-N 3.14Å; K156-D160 PolarHBondContact O-N 3.43Å
157Q97.6Very high96.7Very high86 Ų8647 Ų4740%0.40224%0.242SC..Hα-helixtrans-60.1-41.3179-73175.6-19.200112.2K153 L154 R159 D160 K161K153-Q157 WeakPolarHBondContact O-CG 3.3Å; K153-Q157 PolarHBondContact O-N 2.97Å; L154-Q157 WeakPolarHBondContact O-CB 3.46Å; L154-Q157 PolarHBondContact O-N 3.38Å; Q157-R159 VanDerWaalsContact C-N 3.34Å; Q157-D160 PolarHBondContact O-N 3.38Å; Q157-K161 WeakPolarHBondContact O-CG 3.5Å; Q157-K161 PolarHBondContact O-N 3.46Å
158E97.8Very high96.4Very high14 Ų1448.3 Ų48.37%0.06525%0.25CC..Hα-helixtrans-68.9-30.8176.4-64.6-51.6132.900112.5L154 K156 K161 L162 Q201 T204 T205 C208L154-E158 HydrophobicContact CD1-CG 4.42Å; L154-E158 WeakPolarHBondContact O-CG 3.4Å; L154-E158 PolarHBondContact O-N 3.11Å; K156-E158 VanDerWaalsContact C-N 3.32Å; K156-E158 PolarHBondContact O-N 3.5Å; E158-K161 IonicContact OE1-NZ 3.82Å; E158-K161 PolarHBondContact OE1-NZ 2.94Å; E158-K161 IonicContact OE2-NZ 2.66Å; E158-L162 WeakPolarHBondContact O-CB 3.46Å; E158-L162 PolarHBondContact O-N 2.86Å; E158-Q201 PolarHBondContact O-NE2 2.92Å; E158-Q201 PolarHBondContact OE2-NE2 3.31Å; E158-T204 HydrophobicContact CG-CG2 4.46Å; E158-T205 HydrophobicContact CB-CG2 4.3Å; E158-T205 PolarHBondContact O-OG1 3.23Å; E158-C208 HydrophobicContact CG-CB 4.17Å
159R96.9Very high96.3Very high61 Ų6146.5 Ų46.523%0.2324%0.24CC..Hα-helixtrans-65.7-42.5169.8-76.3174.255.5-163.1-3.6112.2M41 E45 A155 K156 Q157 K161 L162 E163 T205 L209M41-R159 HydrophobicContact CE-CB 4.46Å; M41-R159 HydrophobicContact CE-CG 4.08Å; M41-R159 HydrophobicContact CG-CG 4.16Å; E45-R159 IonicContact OE2-CZ 3.27Å; E45-R159 IonicContact OE2-NH1 3.05Å; E45-R159 PolarHBondContact OE2-NH1 2.86Å; A155-R159 WeakPolarHBondContact O-CG 3.42Å; A155-R159 PolarHBondContact O-N 3.19Å; A155-R159 VanDerWaalsContact O-N 3.09Å; K156-R159 WeakPolarHBondContact O-CB 3.49Å; K156-R159 PolarHBondContact O-N 2.89Å; K156-R159 VanDerWaalsContact O-N 3.14Å; Q157-R159 VanDerWaalsContact C-N 3.34Å; R159-K161 VanDerWaalsContact C-N 3.34Å; R159-L162 WeakPolarHBondContact O-CB 3.32Å; R159-L162 PolarHBondContact O-N 2.97Å; R159-E163 PolarHBondContact O-N 3.4Å; R159-T205 HydrophobicContact CG-CG2 3.83Å; R159-L209 HydrophobicContact CG-CD1 4.34Å; R159-L209 HydrophobicContact CG-CD2 4.34Å
160D96Very high96.1Very high86 Ų8643.5 Ų43.546%0.4622%0.215SC..Hα-helixtrans-65.3-39.4177.8-65.1-20.7000110.9K156 Q157 E163 N164K156-D160 PolarHBondContact O-N 3.43Å; Q157-D160 PolarHBondContact O-N 3.38Å; D160-E163 PolarHBondContact O-N 3.41Å; D160-N164 PolarHBondContact O-N 2.77Å; D160-N164 VanDerWaalsContact O-N 3.16Å; D160-N164 PolarHBondContact O-ND2 3.49Å
161K97Very high95.8Very high98 Ų9843.8 Ų43.843%0.42621%0.207SC..Hα-helixtrans-63.6-41.1172.8-71.6174.2-173.2171.60112.4Q157 E158 R159 N164 A165 Q201Q157-K161 WeakPolarHBondContact O-CG 3.5Å; Q157-K161 PolarHBondContact O-N 3.46Å; E158-K161 IonicContact OE1-NZ 3.82Å; E158-K161 PolarHBondContact OE1-NZ 2.94Å; E158-K161 IonicContact OE2-NZ 2.66Å; R159-K161 VanDerWaalsContact C-N 3.34Å; K161-N164 WeakPolarHBondContact O-CB 3.27Å; K161-N164 PolarHBondContact O-N 3.26Å; K161-A165 PolarHBondContact O-N 2.89Å; K161-Q201 HydrophobicContact CB-CG 4.34Å
162L97.1Very high95.5Very high0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-59.9-46.4175.8176.161.7000112.2Y33 L37 M41 E158 R159 N164 A165 R166 F198 Q201 C202 T205Y33-L162 HydrophobicContact CD1-CD2 4.12Å; Y33-L162 HydrophobicContact CD1-CG 4.46Å; Y33-L162 HydrophobicContact CE1-CD1 4.01Å; Y33-L162 HydrophobicContact CE1-CD2 3.74Å; Y33-L162 HydrophobicContact CE1-CG 3.68Å; L37-L162 HydrophobicContact CD2-CD2 3.74Å; L37-L162 HydrophobicContact CG-CD2 4.42Å; M41-L162 HydrophobicContact SD-CD2 4.46Å; E158-L162 WeakPolarHBondContact O-CB 3.46Å; E158-L162 PolarHBondContact O-N 2.86Å; R159-L162 WeakPolarHBondContact O-CB 3.32Å; R159-L162 PolarHBondContact O-N 2.97Å; L162-N164 VanDerWaalsContact C-N 3.28Å; L162-N164 PolarHBondContact O-N 2.87Å; L162-A165 PolarHBondContact O-N 3.17Å; L162-R166 WeakPolarHBondContact O-CB 3.36Å; L162-R166 PolarHBondContact O-N 2.93Å; L162-F198 HydrophobicContact CD1-CD2 4.12Å; L162-F198 HydrophobicContact CD1-CE2 3.8Å; L162-Q201 VanDerWaalsContact CA-CG 3.48Å; L162-Q201 HydrophobicContact CB-CG 3.89Å; L162-Q201 HydrophobicContact CD1-CB 4.34Å; L162-Q201 HydrophobicContact CD1-CG 4.12Å; L162-C202 HydrophobicContact CD1-CB 4.47Å; L162-C202 VanDerWaalsContact CD1-SG 3.52Å; L162-T205 HydrophobicContact CB-CG2 4.48Å; L162-T205 HydrophobicContact CD2-CG2 4.01Å
163E94.7Very high95.2Very high52 Ų5245.6 Ų45.624%0.24321%0.214CC..Hα-helixtrans-62.5-38.1177.4-174.665.9-164.100111.4R30 Y33 R159 D160 R166 L167R30-E163 IonicContact CZ-OE1 2.69Å; R30-E163 IonicContact NH1-OE1 3.2Å; R30-E163 PolarHBondContact NH1-OE1 3.36Å; R30-E163 IonicContact NH2-OE1 2.95Å; R30-E163 PolarHBondContact NH2-OE1 3Å; R30-E163 VanDerWaalsContact NH2-OE1 3.07Å; R30-E163 IonicContact NH2-OE2 3.06Å; R30-E163 PolarHBondContact NH2-OE2 3.38Å; Y33-E163 PolarHBondContact OH-OE2 3.46Å; R159-E163 PolarHBondContact O-N 3.4Å; D160-E163 PolarHBondContact O-N 3.41Å; E163-R166 WeakPolarHBondContact O-CB 3.33Å; E163-R166 PolarHBondContact O-N 3.48Å; E163-R166 IonicContact OE1-CZ 3.64Å; E163-R166 IonicContact OE1-NE 3.35Å; E163-R166 PolarHBondContact OE1-NE 3.09Å; E163-R166 VanDerWaalsContact OE1-NE 3.12Å; E163-R166 IonicContact OE1-NH2 2.76Å; E163-R166 PolarHBondContact OE1-NH2 3.33Å; E163-R166 IonicContact OE2-NE 2.69Å; E163-R166 PolarHBondContact OE2-NE 3.29Å; E163-L167 HydrophobicContact CG-CD1 4.32Å; E163-L167 VanDerWaalsContact O-CG 3.3Å; E163-L167 WeakPolarHBondContact O-CG 3.46Å; E163-L167 PolarHBondContact O-N 3.02Å
164N94.9Very high94.8Very high55 Ų5540.8 Ų40.829%0.29419%0.194SC..Hα-helixtrans-62.6-46173.7-75.4-59.4000112.4R16 D160 K161 L162 R166 L167 D168R16-N164 VanDerWaalsContact CD-OD1 3.26Å; R16-N164 WeakPolarHBondContact CD-OD1 3.18Å; R16-N164 VanDerWaalsContact NH1-CG 3.29Å; R16-N164 PolarHBondContact NH1-OD1 2.84Å; D160-N164 PolarHBondContact O-N 2.77Å; D160-N164 VanDerWaalsContact O-N 3.16Å; D160-N164 PolarHBondContact O-ND2 3.49Å; K161-N164 WeakPolarHBondContact O-CB 3.27Å; K161-N164 PolarHBondContact O-N 3.26Å; L162-N164 VanDerWaalsContact C-N 3.28Å; L162-N164 PolarHBondContact O-N 2.87Å; N164-R166 VanDerWaalsContact C-N 3.3Å; N164-R166 PolarHBondContact O-N 2.83Å; N164-L167 PolarHBondContact O-N 3.44Å; N164-D168 PolarHBondContact O-N 3.2Å
165A95.3Very high94.4Very high19 Ų1939.8 Ų39.816%0.15719%0.193CC..Hα-helixtrans-62.8-38.5177.300000111.7K161 L162 D168 L169 F198 Q201K161-A165 PolarHBondContact O-N 2.89Å; L162-A165 PolarHBondContact O-N 3.17Å; A165-D168 PolarHBondContact O-N 3.41Å; A165-L169 WeakPolarHBondContact O-CB 3.45Å; A165-L169 PolarHBondContact O-N 3.48Å; A165-F198 HydrophobicContact CB-CD2 4.37Å; A165-Q201 HydrophobicContact CB-CB 4.32Å; A165-Q201 HydrophobicContact CB-CG 4.42Å
166R96.2Very high94Very high0 Ų042.1 Ų42.10%020%0.202CC..Hα-helixtrans-60.5-49.7173.8-168.6-159.460.177.6-4.6111.5E23 T31 Y33 L162 E163 N164 D168 L169 D170 F198E23-R166 VanDerWaalsContact CD-NH1 3.34Å; E23-R166 IonicContact OE1-CZ 3.92Å; E23-R166 IonicContact OE1-NH1 3.81Å; E23-R166 PolarHBondContact OE1-NH1 3.48Å; E23-R166 IonicContact OE1-NH2 3.67Å; E23-R166 PolarHBondContact OE1-NH2 2.95Å; E23-R166 IonicContact OE2-CZ 3.12Å; E23-R166 IonicContact OE2-NH1 2.65Å; E23-R166 PolarHBondContact OE2-NH1 3.17Å; E23-R166 IonicContact OE2-NH2 2.83Å; E23-R166 PolarHBondContact OE2-NH2 2.97Å; T31-R166 WeakPolarHBondContact O-CD 3.47Å; Y33-R166 HydrophobicContact CE1-CB 4.47Å; Y33-R166 HydrophobicContact CE1-CG 4.42Å; Y33-R166 WeakPolarHBondContact OH-CD 3.42Å; L162-R166 WeakPolarHBondContact O-CB 3.36Å; L162-R166 PolarHBondContact O-N 2.93Å; E163-R166 WeakPolarHBondContact O-CB 3.33Å; E163-R166 PolarHBondContact O-N 3.48Å; E163-R166 IonicContact OE1-CZ 3.64Å; E163-R166 IonicContact OE1-NE 3.35Å; E163-R166 PolarHBondContact OE1-NE 3.09Å; E163-R166 VanDerWaalsContact OE1-NE 3.12Å; E163-R166 IonicContact OE1-NH2 2.76Å; E163-R166 PolarHBondContact OE1-NH2 3.33Å; E163-R166 IonicContact OE2-NE 2.69Å; E163-R166 PolarHBondContact OE2-NE 3.29Å; N164-R166 VanDerWaalsContact C-N 3.3Å; N164-R166 PolarHBondContact O-N 2.83Å; R166-D168 VanDerWaalsContact C-N 3.32Å; R166-D168 PolarHBondContact O-N 3.24Å; R166-L169 WeakPolarHBondContact O-CB 3.4Å; R166-L169 PolarHBondContact O-N 2.96Å; R166-D170 IonicContact CZ-OD2 3.66Å; R166-D170 IonicContact NH1-OD2 3.35Å; R166-D170 PolarHBondContact NH1-OD2 3.21Å; R166-D170 PolarHBondContact O-N 2.91Å; R166-F198 HydrophobicContact CB-CD2 4.11Å; R166-F198 HydrophobicContact CB-CE2 3.71Å; R166-F198 HydrophobicContact CG-CE2 3.93Å
167L92.8Very high93.6Very high5 Ų542.7 Ų42.73%0.02621%0.205CC..Hα-helixtrans-61.2-41.1179-73.7168.4000111.9R16 Q19 I20 E163 N164 D170 R171R16-L167 HydrophobicContact CB-CB 4.33Å; R16-L167 HydrophobicContact CB-CD1 4.1Å; R16-L167 HydrophobicContact CG-CB 4.04Å; R16-L167 HydrophobicContact CG-CD1 4.45Å; Q19-L167 HydrophobicContact CB-CD2 4.04Å; Q19-L167 HydrophobicContact CG-CD2 3.8Å; I20-L167 HydrophobicContact CD1-CD1 3.84Å; I20-L167 HydrophobicContact CG1-CD1 3.82Å; I20-L167 HydrophobicContact CG1-CD2 3.58Å; I20-L167 HydrophobicContact CG1-CG 4.38Å; E163-L167 HydrophobicContact CG-CD1 4.32Å; E163-L167 VanDerWaalsContact O-CG 3.3Å; E163-L167 WeakPolarHBondContact O-CG 3.46Å; E163-L167 PolarHBondContact O-N 3.02Å; N164-L167 PolarHBondContact O-N 3.44Å; L167-D170 PolarHBondContact O-N 2.85Å; L167-R171 VanDerWaalsContact O-CB 3.27Å; L167-R171 WeakPolarHBondContact O-CB 3.36Å; L167-R171 PolarHBondContact O-N 2.96Å
168D93.3Very high93.1Very high28 Ų2845.1 Ų45.115%0.1521%0.21CC..Hα-helixtrans-65.5-41.2177.4-71.4-30.6000111.4R16 N164 A165 R166 R171 I172R16-D168 WeakPolarHBondContact CG-OD1 3.3Å; R16-D168 IonicContact CZ-OD1 3.4Å; R16-D168 IonicContact CZ-OD2 3.56Å; R16-D168 IonicContact NE-OD1 3.39Å; R16-D168 PolarHBondContact NE-OD1 3.4Å; R16-D168 VanDerWaalsContact NE-OD1 3.12Å; R16-D168 IonicContact NE-OD2 2.99Å; R16-D168 PolarHBondContact NE-OD2 2.9Å; R16-D168 IonicContact NH2-OD1 3.59Å; R16-D168 IonicContact NH2-OD2 2.86Å; R16-D168 PolarHBondContact NH2-OD2 2.74Å; N164-D168 PolarHBondContact O-N 3.2Å; A165-D168 PolarHBondContact O-N 3.41Å; R166-D168 VanDerWaalsContact C-N 3.32Å; R166-D168 PolarHBondContact O-N 3.24Å; D168-R171 IonicContact OD1-CZ 2.77Å; D168-R171 IonicContact OD1-NH1 3.17Å; D168-R171 IonicContact OD1-NH2 3.44Å; D168-R171 PolarHBondContact OD1-NH2 2.99Å; D168-I172 WeakPolarHBondContact O-CD1 3.4Å; D168-I172 WeakPolarHBondContact O-CG1 3.44Å; D168-I172 PolarHBondContact O-N 3.39Å; D168-I172 VanDerWaalsContact O-N 3.12Å
169L94.1Very high92.6Very high3 Ų345.4 Ų45.42%0.01622%0.215CC..Hα-helixtrans-61.2-49.7174.1175.959.8000111.8T31 A165 R166 R171 I172 K173 L191 A194 E195 F198T31-L169 HydrophobicContact CG2-CD2 4.33Å; A165-L169 WeakPolarHBondContact O-CB 3.45Å; A165-L169 PolarHBondContact O-N 3.48Å; R166-L169 WeakPolarHBondContact O-CB 3.4Å; R166-L169 PolarHBondContact O-N 2.96Å; L169-R171 VanDerWaalsContact C-N 3.34Å; L169-R171 PolarHBondContact O-N 3.38Å; L169-I172 PolarHBondContact O-N 3.07Å; L169-K173 HydrophobicContact CD1-CD 4.39Å; L169-K173 HydrophobicContact CD1-CG 4.34Å; L169-K173 HydrophobicContact CG-CD 4.25Å; L169-K173 WeakPolarHBondContact O-CG 3.47Å; L169-K173 PolarHBondContact O-N 3.49Å; L169-L191 HydrophobicContact CD1-CD1 3.84Å; L169-A194 HydrophobicContact CB-CB 4.45Å; L169-A194 HydrophobicContact CD1-CB 3.99Å; L169-E195 HydrophobicContact CD1-CB 4.44Å; L169-E195 HydrophobicContact CD1-CG 3.55Å; L169-F198 HydrophobicContact CD2-CB 3.96Å; L169-F198 HydrophobicContact CD2-CD1 3.88Å; L169-F198 HydrophobicContact CD2-CD2 4.42Å; L169-F198 HydrophobicContact CD2-CG 3.82Å
170D93.4Very high92Very high3 Ų350.5 Ų50.52%0.01624%0.239CC..Hα-helixtrans-66.8-36.4-177.7-72.1-21.5000111.8Q19 T31 R166 L167 I172 K173 T174Q19-D170 HydrophobicContact CG-CB 4.15Å; T31-D170 WeakPolarHBondContact CB-OD1 3.41Å; T31-D170 PolarHBondContact N-OD1 3.39Å; T31-D170 PolarHBondContact N-OD2 3Å; T31-D170 PolarHBondContact OG1-OD1 3.45Å; R166-D170 IonicContact CZ-OD2 3.66Å; R166-D170 IonicContact NH1-OD2 3.35Å; R166-D170 PolarHBondContact NH1-OD2 3.21Å; R166-D170 PolarHBondContact O-N 2.91Å; L167-D170 PolarHBondContact O-N 2.85Å; D170-I172 PolarHBondContact O-N 3.42Å; D170-K173 PolarHBondContact O-N 3.48Å; D170-T174 WeakPolarHBondContact O-CB 3.4Å; D170-T174 PolarHBondContact O-N 3.41Å; D170-T174 PolarHBondContact O-OG1 3.03Å
171R90.6Very high91.3Very high67 Ų6753.6 Ų53.625%0.25326%0.255SS..Hα-helixtrans-59.7-44.4171.5-175.2-174.468.4-164.9-5.1111.7L167 D168 L169 T174 S175L167-R171 VanDerWaalsContact O-CB 3.27Å; L167-R171 WeakPolarHBondContact O-CB 3.36Å; L167-R171 PolarHBondContact O-N 2.96Å; D168-R171 IonicContact OD1-CZ 2.77Å; D168-R171 IonicContact OD1-NH1 3.17Å; D168-R171 IonicContact OD1-NH2 3.44Å; D168-R171 PolarHBondContact OD1-NH2 2.99Å; L169-R171 VanDerWaalsContact C-N 3.34Å; L169-R171 PolarHBondContact O-N 3.38Å; R171-T174 PolarHBondContact O-N 3.41Å; R171-S175 WeakPolarHBondContact O-CB 3.39Å; R171-S175 PolarHBondContact O-N 3.3Å; R171-S175 PolarHBondContact O-OG 3.19Å
172I90.7Very high90.4Very high28 Ų2851.8 Ų51.814%0.14426%0.264CS..Hα-helixtrans-69.2-41.1179.7-68.5163.6000110.8D168 L169 D170 T174 S175 K176 L191 A194D168-I172 WeakPolarHBondContact O-CD1 3.4Å; D168-I172 WeakPolarHBondContact O-CG1 3.44Å; D168-I172 PolarHBondContact O-N 3.39Å; D168-I172 VanDerWaalsContact O-N 3.12Å; L169-I172 PolarHBondContact O-N 3.07Å; D170-I172 PolarHBondContact O-N 3.42Å; I172-T174 PolarHBondContact O-N 3.28Å; I172-S175 PolarHBondContact O-N 2.99Å; I172-K176 WeakPolarHBondContact O-CB 3.37Å; I172-K176 PolarHBondContact O-N 2.92Å; I172-L191 HydrophobicContact CG2-CB 4Å; I172-L191 HydrophobicContact CG2-CD1 4.19Å; I172-A194 HydrophobicContact CD1-CB 3.57Å
173K91.2Very high89.7Confident59 Ų5957.7 Ų57.726%0.25729%0.29SS..Hα-helixtrans-57.7-48.2172.8-74.2176.8179174.10111.5T31 L169 D170 K176 K177 L191T31-K173 PolarHBondContact OG1-NZ 2.88Å; L169-K173 HydrophobicContact CD1-CD 4.39Å; L169-K173 HydrophobicContact CD1-CG 4.34Å; L169-K173 HydrophobicContact CG-CD 4.25Å; L169-K173 WeakPolarHBondContact O-CG 3.47Å; L169-K173 PolarHBondContact O-N 3.49Å; D170-K173 PolarHBondContact O-N 3.48Å; K173-K176 PolarHBondContact O-N 3.21Å; K173-K177 WeakPolarHBondContact O-CG 3.39Å; K173-K177 PolarHBondContact O-N 3.34Å; K173-L191 HydrophobicContact CG-CD1 3.62Å
174T89.1Confident89.1Confident15 Ų1559.7 Ų59.79%0.09230%0.299CS..Hα-helixtrans-62.3-43.2176.9-62.20000111.7T28 D170 R171 I172 K176 K177 R178T28-T174 HydrophobicContact CG2-CG2 3.83Å; D170-T174 WeakPolarHBondContact O-CB 3.4Å; D170-T174 PolarHBondContact O-N 3.41Å; D170-T174 PolarHBondContact O-OG1 3.03Å; R171-T174 PolarHBondContact O-N 3.41Å; I172-T174 PolarHBondContact O-N 3.28Å; T174-K176 PolarHBondContact O-N 2.96Å; T174-K177 PolarHBondContact O-N 3.07Å; T174-R178 HydrophobicContact CG2-CG 4.43Å; T174-R178 VanDerWaalsContact CG2-CZ 3.41Å; T174-R178 WeakPolarHBondContact O-CB 3.47Å; T174-R178 WeakPolarHBondContact O-CG 3.33Å; T174-R178 PolarHBondContact O-N 3.43Å
175S88.6Confident88.8Confident46 Ų4662.6 Ų62.632%0.32231%0.311SS..Hα-helixtrans-61.1-43.2176.5-580000111.9R171 I172 R178 A179R171-S175 WeakPolarHBondContact O-CB 3.39Å; R171-S175 PolarHBondContact O-N 3.3Å; R171-S175 PolarHBondContact O-OG 3.19Å; I172-S175 PolarHBondContact O-N 2.99Å; S175-R178 PolarHBondContact O-N 3.22Å; S175-A179 PolarHBondContact O-N 3.44Å
176K89.7Confident88.4Confident53 Ų5366 Ų6623%0.2333%0.329CS..Hα-helixtrans-62.1-45.7174.6-175.7177.4179.8176.30111.5I172 K173 T174 R178 A179 Q184 F187 L191I172-K176 WeakPolarHBondContact O-CB 3.37Å; I172-K176 PolarHBondContact O-N 2.92Å; K173-K176 PolarHBondContact O-N 3.21Å; T174-K176 PolarHBondContact O-N 2.96Å; K176-R178 VanDerWaalsContact C-N 3.32Å; K176-R178 PolarHBondContact O-N 3.38Å; K176-A179 WeakPolarHBondContact O-CB 3.35Å; K176-A179 PolarHBondContact O-N 3.23Å; K176-Q184 HydrophobicContact CG-CB 4.35Å; K176-F187 HydrophobicContact CB-CB 3.88Å; K176-F187 HydrophobicContact CB-CD2 4.47Å; K176-F187 HydrophobicContact CB-CG 4.24Å; K176-F187 HydrophobicContact CD-CB 4.42Å; K176-F187 HydrophobicContact CG-CB 4.1Å; K176-L191 HydrophobicContact CD-CD2 3.85Å
177K88Confident88.1Confident119 Ų11968.9 Ų68.952%0.51734%0.342SS..Hα-helixtrans-60.9-38.1177.1-74.4-179.1-178.1178.70112.3E29 K173 T174E29-K177 IonicContact OE1-NZ 2.67Å; E29-K177 PolarHBondContact OE1-NZ 3.25Å; E29-K177 IonicContact OE2-NZ 3.51Å; E29-K177 PolarHBondContact OE2-NZ 2.94Å; K173-K177 WeakPolarHBondContact O-CG 3.39Å; K173-K177 PolarHBondContact O-N 3.34Å; T174-K177 PolarHBondContact O-N 3.07Å
178R87.8Confident88Confident136 Ų13673.8 Ų73.851%0.51337%0.365SS..Hα-helixtrans-81.5-11.9-179.8-68.5179.1-177.5164.88.6114E22 T174 S175 K176 K180E22-R178 VanDerWaalsContact CD-NH2 3.3Å; E22-R178 IonicContact OE1-CZ 3.82Å; E22-R178 IonicContact OE1-NH1 3.99Å; E22-R178 PolarHBondContact OE1-NH1 3.03Å; E22-R178 IonicContact OE1-NH2 3.34Å; E22-R178 PolarHBondContact OE1-NH2 2.95Å; E22-R178 IonicContact OE2-CZ 2.71Å; E22-R178 IonicContact OE2-NH1 3.98Å; E22-R178 PolarHBondContact OE2-NH1 3.28Å; E22-R178 IonicContact OE2-NH2 3.52Å; E22-R178 PolarHBondContact OE2-NH2 2.99Å; T174-R178 HydrophobicContact CG2-CG 4.43Å; T174-R178 VanDerWaalsContact CG2-CZ 3.41Å; T174-R178 WeakPolarHBondContact O-CB 3.47Å; T174-R178 WeakPolarHBondContact O-CG 3.33Å; T174-R178 PolarHBondContact O-N 3.43Å; S175-R178 PolarHBondContact O-N 3.22Å; K176-R178 VanDerWaalsContact C-N 3.32Å; K176-R178 PolarHBondContact O-N 3.38Å; R178-K180 PolarHBondContact O-N 3.17Å
179A86.9Confident88Confident20 Ų2078 Ų7817%0.16538%0.383CS..  trans-67.1122.3-178.300000111.9S175 K176 Q184 F187S175-A179 PolarHBondContact O-N 3.44Å; K176-A179 WeakPolarHBondContact O-CB 3.35Å; K176-A179 PolarHBondContact O-N 3.23Å; A179-Q184 HydrophobicContact CB-CG 4.11Å; A179-F187 HydrophobicContact CB-CD2 4.05Å; A179-F187 HydrophobicContact CB-CE2 3.64Å
180K85.5Confident87.9Confident168 Ų16880.5 Ų80.573%0.7340%0.401SS*.  trans-94170.2178-61-176.1-178.9-179.10111.7R178 G182 K183R178-K180 PolarHBondContact O-N 3.17Å; K180-G182 PolarHBondContact O-N 3.32Å; K180-K183 PolarHBondContact O-N 3.14Å
181N81.1Confident88Confident152 Ų15281.3 Ų81.381%0.81341%0.406SS*.THydrogen-bonded Turntrans60.238171.3-54.2-11.5000114.6K183N181-K183 PolarHBondContact O-N 3.14Å; N181-K183 VanDerWaalsContact O-N 3.08Å
182G77.4Confident88.2Confident59 Ų5984.2 Ų84.261%0.60842%0.42SS*.THydrogen-bonded Turntrans68.37.1177.900000114.9K180 Q184 H185K180-G182 PolarHBondContact O-N 3.32Å; G182-Q184 PolarHBondContact O-N 2.95Å; G182-Q184 VanDerWaalsContact O-N 3.12Å; G182-H185 PolarHBondContact O-ND1 2.93Å
183K83.5Confident88.4Confident125 Ų12587 Ų8754%0.54344%0.435SS..G310 helixtrans-75.99.9179.4-63.1-173.1177.3-175.50114.1K180 N181 H185 V186K180-K183 PolarHBondContact O-N 3.14Å; N181-K183 PolarHBondContact O-N 3.14Å; N181-K183 VanDerWaalsContact O-N 3.08Å; K183-H185 PolarHBondContact O-N 2.67Å; K183-V186 HydrophobicContact CB-CG2 4.26Å; K183-V186 VanDerWaalsContact O-CB 3.31Å; K183-V186 WeakPolarHBondContact O-CB 3.37Å; K183-V186 WeakPolarHBondContact O-CG2 3.47Å; K183-V186 PolarHBondContact O-N 3.29Å
184Q81.5Confident88.6Confident94 Ų9484.8 Ų84.844%0.43943%0.428SS..G310 helixtrans-61.7-33.7177.7-67.2-176.5-7.100112.2K176 A179 G182 V186 F187K176-Q184 HydrophobicContact CG-CB 4.35Å; A179-Q184 HydrophobicContact CB-CG 4.11Å; G182-Q184 PolarHBondContact O-N 2.95Å; G182-Q184 VanDerWaalsContact O-N 3.12Å; Q184-V186 PolarHBondContact O-N 3.36Å; Q184-F187 PolarHBondContact O-N 2.95Å
185H87.5Confident88.9Confident116 Ų11687.8 Ų87.854%0.53744%0.441SS..G310 helixtrans-59.5-27.8177.670.4-85.2000112.8G182 K183 F187 E188G182-H185 PolarHBondContact O-ND1 2.93Å; K183-H185 PolarHBondContact O-N 2.67Å; H185-F187 PolarHBondContact O-N 3.35Å; H185-E188 WeakPolarHBondContact O-CB 3.41Å; H185-E188 PolarHBondContact O-N 3.18Å; H185-E188 VanDerWaalsContact O-N 3.13Å
186V87.5Confident89.3Confident89 Ų8988.8 Ų88.854%0.53945%0.448SS..G310 helixtrans-62.1-26.4177.8-177.50000111.6K183 Q184K183-V186 HydrophobicContact CB-CG2 4.26Å; K183-V186 VanDerWaalsContact O-CB 3.31Å; K183-V186 WeakPolarHBondContact O-CB 3.37Å; K183-V186 WeakPolarHBondContact O-CG2 3.47Å; K183-V186 PolarHBondContact O-N 3.29Å; Q184-V186 PolarHBondContact O-N 3.36Å
187F89.4Confident89.6Confident61 Ų6188.9 Ų88.927%0.26846%0.458SS..G310 helixtrans-93.8-3.9-179.7-64-82.3000113.6K176 A179 Q184 H185 S190 L191K176-F187 HydrophobicContact CB-CB 3.88Å; K176-F187 HydrophobicContact CB-CD2 4.47Å; K176-F187 HydrophobicContact CB-CG 4.24Å; K176-F187 HydrophobicContact CD-CB 4.42Å; K176-F187 HydrophobicContact CG-CB 4.1Å; A179-F187 HydrophobicContact CB-CD2 4.05Å; A179-F187 HydrophobicContact CB-CE2 3.64Å; Q184-F187 PolarHBondContact O-N 2.95Å; H185-F187 PolarHBondContact O-N 3.35Å; F187-S190 PolarHBondContact O-N 2.96Å; F187-L191 WeakPolarHBondContact O-CB 3.37Å; F187-L191 PolarHBondContact O-N 3.23Å
188E91.1Very high90Very high108 Ų10883.8 Ų83.851%0.50544%0.436SS..Hα-helixtrans-63.4-46.2-174.1-75.4175.6-176.400112.7H185 L191 K192H185-E188 WeakPolarHBondContact O-CB 3.41Å; H185-E188 PolarHBondContact O-N 3.18Å; H185-E188 VanDerWaalsContact O-N 3.13Å; E188-L191 PolarHBondContact O-N 2.82Å; E188-K192 PolarHBondContact O-N 3.39Å
189Q93.2Very high90.4Very high116 Ų11681.9 Ų81.954%0.54244%0.436SS..Hα-helixtrans-64.6-48.1178.1-173.758.74500111.1L191 K192 D193Q189-L191 VanDerWaalsContact C-N 3.28Å; Q189-L191 PolarHBondContact O-N 3.45Å; Q189-K192 PolarHBondContact O-N 3.34Å; Q189-D193 PolarHBondContact NE2-OD1 2.7Å; Q189-D193 PolarHBondContact O-N 3.45Å
190S93Very high90.9Very high56 Ų5687.6 Ų87.639%0.39246%0.458SS..Hα-helixtrans-62.7-34.3178.7-55.20000112.9F187 A194F187-S190 PolarHBondContact O-N 2.96Å; S190-A194 VanDerWaalsContact O-CB 3.29Å; S190-A194 WeakPolarHBondContact O-CB 3.34Å; S190-A194 PolarHBondContact O-N 2.81Å
191L93.9Very high91.5Very high21 Ų2180.8 Ų80.811%0.1143%0.429CS..Hα-helixtrans-66.1-47174.8179.763.4000110.6L169 I172 K173 K176 F187 E188 Q189 D193 A194 E195L169-L191 HydrophobicContact CD1-CD1 3.84Å; I172-L191 HydrophobicContact CG2-CB 4Å; I172-L191 HydrophobicContact CG2-CD1 4.19Å; K173-L191 HydrophobicContact CG-CD1 3.62Å; K176-L191 HydrophobicContact CD-CD2 3.85Å; F187-L191 WeakPolarHBondContact O-CB 3.37Å; F187-L191 PolarHBondContact O-N 3.23Å; E188-L191 PolarHBondContact O-N 2.82Å; Q189-L191 VanDerWaalsContact C-N 3.28Å; Q189-L191 PolarHBondContact O-N 3.45Å; L191-D193 VanDerWaalsContact C-N 3.31Å; L191-D193 PolarHBondContact O-N 3.3Å; L191-A194 PolarHBondContact O-N 3.05Å; L191-E195 HydrophobicContact CD1-CG 4.27Å; L191-E195 HydrophobicContact CG-CG 4.44Å; L191-E195 WeakPolarHBondContact O-CB 3.45Å; L191-E195 VanDerWaalsContact O-CG 3.31Å; L191-E195 WeakPolarHBondContact O-CG 3.49Å; L191-E195 PolarHBondContact O-N 2.77Å
192K94.8Very high92.3Very high128 Ų12874.4 Ų74.456%0.55740%0.396SS*.Hα-helixtrans-60.6-40.9177.2-175.8177.9177.6-1790112.1E188 Q189 S196E188-K192 PolarHBondContact O-N 3.39Å; Q189-K192 PolarHBondContact O-N 3.34Å; K192-S196 WeakPolarHBondContact O-CB 3.03Å; K192-S196 PolarHBondContact O-N 2.94Å; K192-S196 PolarHBondContact O-OG 3Å
193D95.4Very high93.2Very high85 Ų8577.6 Ų77.646%0.45539%0.394SS..Hα-helixtrans-65.4-43.7177.3-63.7-21.4000111Q189 L191 S196 A197Q189-D193 PolarHBondContact NE2-OD1 2.7Å; Q189-D193 PolarHBondContact O-N 3.45Å; L191-D193 VanDerWaalsContact C-N 3.31Å; L191-D193 PolarHBondContact O-N 3.3Å; D193-S196 PolarHBondContact O-N 3.05Å; D193-A197 WeakPolarHBondContact O-CB 3.46Å; D193-A197 PolarHBondContact O-N 3.2Å
194A94.9Very high93.9Very high13 Ų1372.4 Ų72.411%0.10737%0.374CS..Hα-helixtrans-67.9-39.1177.800000113L169 I172 S190 L191 A197 F198L169-A194 HydrophobicContact CB-CB 4.45Å; L169-A194 HydrophobicContact CD1-CB 3.99Å; I172-A194 HydrophobicContact CD1-CB 3.57Å; S190-A194 VanDerWaalsContact O-CB 3.29Å; S190-A194 WeakPolarHBondContact O-CB 3.34Å; S190-A194 PolarHBondContact O-N 2.81Å; L191-A194 PolarHBondContact O-N 3.05Å; A194-A197 PolarHBondContact O-N 2.9Å; A194-F198 VanDerWaalsContact O-CB 3.28Å; A194-F198 WeakPolarHBondContact O-CB 3.33Å; A194-F198 PolarHBondContact O-N 3.36Å
195E95.8Very high94.7Very high79 Ų7968 Ų6837%0.36935%0.353SS..Hα-helixtrans-62.7-43.9173.7-75.2176.3168.300111L169 L191 F198 N199L169-E195 HydrophobicContact CD1-CB 4.44Å; L169-E195 HydrophobicContact CD1-CG 3.55Å; L191-E195 HydrophobicContact CD1-CG 4.27Å; L191-E195 HydrophobicContact CG-CG 4.44Å; L191-E195 WeakPolarHBondContact O-CB 3.45Å; L191-E195 VanDerWaalsContact O-CG 3.31Å; L191-E195 WeakPolarHBondContact O-CG 3.49Å; L191-E195 PolarHBondContact O-N 2.77Å; E195-F198 PolarHBondContact O-N 3.06Å; E195-N199 WeakPolarHBondContact O-CB 3.44Å; E195-N199 PolarHBondContact O-N 3.35Å; E195-N199 PolarHBondContact O-ND2 2.85Å
196S96.6Very high95.2Very high67 Ų6765.8 Ų65.847%0.46934%0.342SS..Hα-helixtrans-63.4-44.6177-57.80000111.5K192 D193 N199 F200K192-S196 WeakPolarHBondContact O-CB 3.03Å; K192-S196 PolarHBondContact O-N 2.94Å; K192-S196 PolarHBondContact O-OG 3Å; D193-S196 PolarHBondContact O-N 3.05Å; S196-N199 PolarHBondContact O-N 2.96Å; S196-F200 WeakPolarHBondContact O-CB 3.38Å; S196-F200 PolarHBondContact O-N 3.39Å
197A96.6Very high95.7Very high54 Ų5467.9 Ų67.945%0.44634%0.34SS..Hα-helixtrans-63.7-42.8176.800000112.2D193 A194 Q201D193-A197 WeakPolarHBondContact O-CB 3.46Å; D193-A197 PolarHBondContact O-N 3.2Å; A194-A197 PolarHBondContact O-N 2.9Å; A197-Q201 WeakPolarHBondContact O-CB 3.38Å; A197-Q201 PolarHBondContact O-N 3.13Å
198F97.1Very high96.1Very high13 Ų1365.4 Ų65.46%0.05733%0.33CS..Hα-helixtrans-61.9-49176176.1-102.9000111.8T31 Y33 L162 A165 R166 L169 A194 E195 F200 Q201 C202T31-F198 HydrophobicContact CG2-CE1 3.8Å; T31-F198 HydrophobicContact CG2-CE2 4.42Å; T31-F198 HydrophobicContact CG2-CZ 3.68Å; Y33-F198 HydrophobicContact CD1-CE2 4.41Å; Y33-F198 HydrophobicContact CD1-CZ 4.11Å; Y33-F198 AromaticContact CE1-CE2 3.95Å; Y33-F198 HydrophobicContact CE1-CE2 3.95Å; Y33-F198 HydrophobicContact CE1-CZ 4.1Å; L162-F198 HydrophobicContact CD1-CD2 4.12Å; L162-F198 HydrophobicContact CD1-CE2 3.8Å; A165-F198 HydrophobicContact CB-CD2 4.37Å; R166-F198 HydrophobicContact CB-CD2 4.11Å; R166-F198 HydrophobicContact CB-CE2 3.71Å; R166-F198 HydrophobicContact CG-CE2 3.93Å; L169-F198 HydrophobicContact CD2-CB 3.96Å; L169-F198 HydrophobicContact CD2-CD1 3.88Å; L169-F198 HydrophobicContact CD2-CD2 4.42Å; L169-F198 HydrophobicContact CD2-CG 3.82Å; A194-F198 VanDerWaalsContact O-CB 3.28Å; A194-F198 WeakPolarHBondContact O-CB 3.33Å; A194-F198 PolarHBondContact O-N 3.36Å; E195-F198 PolarHBondContact O-N 3.06Å; F198-F200 PolarHBondContact O-N 3.25Å; F198-Q201 PolarHBondContact O-N 3.3Å; F198-C202 PolarHBondContact O-N 3.35Å; F198-C202 PolarHBondContact O-SG 2.9Å; F198-C202 VanDerWaalsContact O-SG 3.4Å
199N96.6Very high96.5Very high95 Ų9560.3 Ų60.351%0.50831%0.306SS..Hα-helixtrans-62.7-42.7179.2-70.2-22.6000112E195 S196 Q201 C202 E203E195-N199 WeakPolarHBondContact O-CB 3.44Å; E195-N199 PolarHBondContact O-N 3.35Å; E195-N199 PolarHBondContact O-ND2 2.85Å; S196-N199 PolarHBondContact O-N 2.96Å; N199-Q201 VanDerWaalsContact C-N 3.3Å; N199-Q201 PolarHBondContact O-N 3.28Å; N199-C202 WeakPolarHBondContact O-CB 3.48Å; N199-C202 PolarHBondContact O-N 3.46Å; N199-E203 PolarHBondContact O-N 3.34Å
200F97.3Very high96.7Very high141 Ų14158.4 Ų58.462%0.61830%0.297SS*.Hα-helixtrans-60.2-41.3174.7177-96.5000112.2S196 F198 E203 T204S196-F200 WeakPolarHBondContact O-CB 3.38Å; S196-F200 PolarHBondContact O-N 3.39Å; F198-F200 PolarHBondContact O-N 3.25Å; F200-E203 PolarHBondContact O-N 3.08Å; F200-T204 PolarHBondContact O-N 2.85Å; F200-T204 VanDerWaalsContact O-N 3.07Å; F200-T204 PolarHBondContact O-OG1 3.44Å
201Q97.8Very high96.9Very high25 Ų2560.2 Ų60.212%0.11730%0.299CS..Hα-helixtrans-69.4-38.2178-170.559.45700111.7E158 K161 L162 A165 A197 F198 N199 E203 T204 T205E158-Q201 PolarHBondContact O-NE2 2.92Å; E158-Q201 PolarHBondContact OE2-NE2 3.31Å; K161-Q201 HydrophobicContact CB-CG 4.34Å; L162-Q201 VanDerWaalsContact CA-CG 3.48Å; L162-Q201 HydrophobicContact CB-CG 3.89Å; L162-Q201 HydrophobicContact CD1-CB 4.34Å; L162-Q201 HydrophobicContact CD1-CG 4.12Å; A165-Q201 HydrophobicContact CB-CB 4.32Å; A165-Q201 HydrophobicContact CB-CG 4.42Å; A197-Q201 WeakPolarHBondContact O-CB 3.38Å; A197-Q201 PolarHBondContact O-N 3.13Å; F198-Q201 PolarHBondContact O-N 3.3Å; N199-Q201 VanDerWaalsContact C-N 3.3Å; N199-Q201 PolarHBondContact O-N 3.28Å; Q201-E203 PolarHBondContact O-N 2.72Å; Q201-T204 PolarHBondContact O-N 2.59Å; Q201-T205 PolarHBondContact NE2-OG1 2.76Å; Q201-T205 WeakPolarHBondContact O-CB 3.42Å; Q201-T205 PolarHBondContact O-N 3.25Å; Q201-T205 PolarHBondContact O-OG1 2.94Å
202C97.4Very high97.1Very high18 Ų1859.2 Ų59.212%0.12230%0.295CS..Hα-helixtrans-54.5-50.7172.6-76.60000111.7L37 L162 F198 N199 T205 K206L37-C202 HydrophobicContact CD2-CB 4.14Å; L162-C202 HydrophobicContact CD1-CB 4.47Å; L162-C202 VanDerWaalsContact CD1-SG 3.52Å; F198-C202 PolarHBondContact O-N 3.35Å; F198-C202 PolarHBondContact O-SG 2.9Å; F198-C202 VanDerWaalsContact O-SG 3.4Å; N199-C202 WeakPolarHBondContact O-CB 3.48Å; N199-C202 PolarHBondContact O-N 3.46Å; C202-T205 PolarHBondContact O-N 2.86Å; C202-K206 VanDerWaalsContact O-CB 3.27Å; C202-K206 WeakPolarHBondContact O-CB 3.28Å; C202-K206 PolarHBondContact O-N 3.43Å
203E97.1Very high97.3Very high125 Ų12553.6 Ų53.658%0.58427%0.27SS*.Hα-helixtrans-65.5-39.8-180-68.3-54.7132.100112.3N199 F200 Q201 K206 R207N199-E203 PolarHBondContact O-N 3.34Å; F200-E203 PolarHBondContact O-N 3.08Å; Q201-E203 PolarHBondContact O-N 2.72Å; E203-K206 PolarHBondContact O-N 2.75Å; E203-R207 PolarHBondContact O-N 2.72Å; E203-R207 VanDerWaalsContact O-N 3.08Å
204T97.9Very high97.4Very high17 Ų1753.5 Ų53.510%0.10427%0.27CS..Hα-helixtrans-64.4-48176.4-62.80000111.6E158 F200 Q201 K206 R207 C208E158-T204 HydrophobicContact CG-CG2 4.46Å; F200-T204 PolarHBondContact O-N 2.85Å; F200-T204 VanDerWaalsContact O-N 3.07Å; F200-T204 PolarHBondContact O-OG1 3.44Å; Q201-T204 PolarHBondContact O-N 2.59Å; T204-K206 VanDerWaalsContact C-N 3.34Å; T204-K206 PolarHBondContact O-N 3.24Å; T204-R207 PolarHBondContact O-N 2.97Å; T204-C208 PolarHBondContact O-N 3.43Å
205T98.2Very high97.5Very high0 Ų056.4 Ų56.40%028%0.28CS..Hα-helixtrans-63.1-40.8177.5-58.30000111.2L37 E158 R159 L162 Q201 C202 R207 C208 L209L37-T205 HydrophobicContact CD1-CG2 4.37Å; E158-T205 HydrophobicContact CB-CG2 4.3Å; E158-T205 PolarHBondContact O-OG1 3.23Å; R159-T205 HydrophobicContact CG-CG2 3.83Å; L162-T205 HydrophobicContact CB-CG2 4.48Å; L162-T205 HydrophobicContact CD2-CG2 4.01Å; Q201-T205 PolarHBondContact NE2-OG1 2.76Å; Q201-T205 WeakPolarHBondContact O-CB 3.42Å; Q201-T205 PolarHBondContact O-N 3.25Å; Q201-T205 PolarHBondContact O-OG1 2.94Å; C202-T205 PolarHBondContact O-N 2.86Å; T205-R207 PolarHBondContact O-N 3.34Å; T205-C208 PolarHBondContact O-N 2.95Å; T205-L209 HydrophobicContact CG2-CD1 3.77Å; T205-L209 HydrophobicContact CG2-CG 4.32Å; T205-L209 WeakPolarHBondContact O-CB 3.49Å; T205-L209 WeakPolarHBondContact O-CD1 3.15Å; T205-L209 VanDerWaalsContact O-CG 3.25Å; T205-L209 WeakPolarHBondContact O-CG 3.45Å; T205-L209 PolarHBondContact O-N 3.47Å
206K97.9Very high97.5Very high70 Ų7053.1 Ų53.130%0.30427%0.265SS..Hα-helixtrans-56.5-49.1175.7-171.6176.7-178.2174.90111.4L37 L40 C202 E203 T204 L209 Q210L37-K206 HydrophobicContact CD1-CB 4.2Å; L40-K206 HydrophobicContact CD1-CD 4.37Å; L40-K206 HydrophobicContact CD1-CG 3.53Å; C202-K206 VanDerWaalsContact O-CB 3.27Å; C202-K206 WeakPolarHBondContact O-CB 3.28Å; C202-K206 PolarHBondContact O-N 3.43Å; E203-K206 PolarHBondContact O-N 2.75Å; T204-K206 VanDerWaalsContact C-N 3.34Å; T204-K206 PolarHBondContact O-N 3.24Å; K206-L209 PolarHBondContact O-N 3.24Å; K206-Q210 PolarHBondContact O-N 3.01Å
207R98Very high97.5Very high133 Ų13354.1 Ų54.150%0.50227%0.265SS..Hα-helixtrans-61.7-50.5178.1172.8169.443.793.74112.5E203 T204 T205 L209 Q210 E211E203-R207 PolarHBondContact O-N 2.72Å; E203-R207 VanDerWaalsContact O-N 3.08Å; T204-R207 PolarHBondContact O-N 2.97Å; T205-R207 PolarHBondContact O-N 3.34Å; R207-L209 VanDerWaalsContact C-N 3.3Å; R207-L209 PolarHBondContact O-N 3.44Å; R207-Q210 PolarHBondContact O-N 2.9Å; R207-E211 HydrophobicContact CG-CG 4.49Å; R207-E211 VanDerWaalsContact CG-OE1 3.26Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 WeakPolarHBondContact O-CG 3.25Å; R207-E211 PolarHBondContact O-N 3.3Å
208C98.1Very high97.4Very high9 Ų954.6 Ų54.66%0.06127%0.265CS..Hα-helixtrans-64.3-33.7179.8-67.40000112.9E158 T204 T205 S212E158-C208 HydrophobicContact CG-CB 4.17Å; T204-C208 PolarHBondContact O-N 3.43Å; T205-C208 PolarHBondContact O-N 2.95Å; C208-S212 WeakPolarHBondContact O-CB 3.32Å; C208-S212 PolarHBondContact O-N 3.1Å
209L98.3Very high97.2Very high1 Ų155 Ų551%0.00527%0.267CS..Hα-helixtrans-65.4-46173-75.1165.4000111.5L37 L40 M41 A155 R159 T205 K206 R207 S212 I213L37-L209 HydrophobicContact CD1-CD1 4.06Å; L40-L209 HydrophobicContact CB-CB 4.15Å; L40-L209 HydrophobicContact CB-CD1 4.08Å; M41-L209 HydrophobicContact CB-CD1 4.41Å; M41-L209 HydrophobicContact CG-CD1 3.64Å; A155-L209 HydrophobicContact CB-CD2 4.05Å; R159-L209 HydrophobicContact CG-CD1 4.34Å; R159-L209 HydrophobicContact CG-CD2 4.34Å; T205-L209 HydrophobicContact CG2-CD1 3.77Å; T205-L209 HydrophobicContact CG2-CG 4.32Å; T205-L209 WeakPolarHBondContact O-CB 3.49Å; T205-L209 WeakPolarHBondContact O-CD1 3.15Å; T205-L209 VanDerWaalsContact O-CG 3.25Å; T205-L209 WeakPolarHBondContact O-CG 3.45Å; T205-L209 PolarHBondContact O-N 3.47Å; K206-L209 PolarHBondContact O-N 3.24Å; R207-L209 VanDerWaalsContact C-N 3.3Å; R207-L209 PolarHBondContact O-N 3.44Å; L209-S212 PolarHBondContact O-N 2.93Å; L209-I213 WeakPolarHBondContact O-CB 3.27Å; L209-I213 WeakPolarHBondContact O-CD1 3.44Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.49Å; L209-I213 PolarHBondContact O-N 2.91Å
210Q97.9Very high97.1Very high76 Ų7656.5 Ų56.536%0.35527%0.269SS..Hα-helixtrans-60.9-47.2177.2-170.264.558.200111.3K206 R207 S212 I213 D214K206-Q210 PolarHBondContact O-N 3.01Å; R207-Q210 PolarHBondContact O-N 2.9Å; Q210-S212 VanDerWaalsContact C-N 3.32Å; Q210-S212 PolarHBondContact O-N 3.49Å; Q210-I213 PolarHBondContact O-N 3.26Å; Q210-I213 VanDerWaalsContact O-N 3.13Å; Q210-D214 PolarHBondContact NE2-OD1 2.95Å; Q210-D214 WeakPolarHBondContact O-CB 3.4Å; Q210-D214 PolarHBondContact O-N 3.02Å
211E97.8Very high96.9Very high94 Ų9454.4 Ų54.444%0.43926%0.261SS..Hα-helixtrans-57-43.7176.3-72.6168.7-174.700112R207 K215R207-E211 HydrophobicContact CG-CG 4.49Å; R207-E211 VanDerWaalsContact CG-OE1 3.26Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 WeakPolarHBondContact O-CG 3.25Å; R207-E211 PolarHBondContact O-N 3.3Å; E211-K215 VanDerWaalsContact O-CB 3.25Å; E211-K215 WeakPolarHBondContact O-CB 3.45Å; E211-K215 PolarHBondContact O-N 3.09Å
212S98Very high96.7Very high1 Ų155 Ų551%0.00726%0.264CS..Hα-helixtrans-65.5-40.8176-175.40000112.4Y147 C208 L209 Q210 F216Y147-S212 VanDerWaalsContact CE2-O 3.25Å; Y147-S212 WeakPolarHBondContact CE2-O 3.38Å; Y147-S212 WeakPolarHBondContact CE2-OG 3.43Å; Y147-S212 PolarHBondContact OH-O 3.33Å; Y147-S212 PolarHBondContact OH-OG 3Å; C208-S212 WeakPolarHBondContact O-CB 3.32Å; C208-S212 PolarHBondContact O-N 3.1Å; L209-S212 PolarHBondContact O-N 2.93Å; Q210-S212 VanDerWaalsContact C-N 3.32Å; Q210-S212 PolarHBondContact O-N 3.49Å; S212-F216 PolarHBondContact O-N 2.86Å; S212-F216 VanDerWaalsContact O-N 3.17Å
213I98.1Very high96.6Very high9 Ų957.2 Ų57.25%0.04627%0.274CS..Hα-helixtrans-63.1-51.9177.5-74.7162.5000110L40 E43 L209 Q210 K215 F216 D217L40-I213 HydrophobicContact CD2-CD1 3.61Å; E43-I213 HydrophobicContact CB-CD1 3.88Å; L209-I213 WeakPolarHBondContact O-CB 3.27Å; L209-I213 WeakPolarHBondContact O-CD1 3.44Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.49Å; L209-I213 PolarHBondContact O-N 2.91Å; Q210-I213 PolarHBondContact O-N 3.26Å; Q210-I213 VanDerWaalsContact O-N 3.13Å; I213-K215 VanDerWaalsContact C-N 3.3Å; I213-K215 PolarHBondContact O-N 3.47Å; I213-F216 PolarHBondContact O-N 3.47Å; I213-F216 VanDerWaalsContact O-N 3.17Å; I213-D217 WeakPolarHBondContact O-CB 3.27Å; I213-D217 PolarHBondContact O-N 3.02Å
214D97.4Very high96.5Very high84 Ų8456.9 Ų56.945%0.44927%0.268SS..Hα-helixtrans-61.1-41.1-178.4-66-15.6000111.1Q210 F216 D217 S218Q210-D214 PolarHBondContact NE2-OD1 2.95Å; Q210-D214 WeakPolarHBondContact O-CB 3.4Å; Q210-D214 PolarHBondContact O-N 3.02Å; D214-F216 PolarHBondContact O-N 3.26Å; D214-D217 PolarHBondContact O-N 3.01Å; D214-S218 VanDerWaalsContact O-CB 3.28Å; D214-S218 WeakPolarHBondContact O-CB 3.31Å; D214-S218 PolarHBondContact O-N 3.39Å; D214-S218 PolarHBondContact O-OG 3.29Å
215K96.8Very high96.3Very high73 Ų7360.5 Ų60.532%0.31728%0.282SS..Hα-helixtrans-58.7-48.6175.8-176.364.5170.9-177.20111.3W143 Y147 E151 E211 I213 S218W143-K215 WeakPolarHBondContact CZ2-O 3.48Å; Y147-K215 HydrophobicContact CD2-CB 4.23Å; Y147-K215 HydrophobicContact CD2-CG 3.79Å; Y147-K215 HydrophobicContact CE2-CB 4.31Å; Y147-K215 HydrophobicContact CE2-CG 4.36Å; E151-K215 HydrophobicContact CG-CB 4.32Å; E151-K215 HydrophobicContact CG-CG 4.14Å; E211-K215 VanDerWaalsContact O-CB 3.25Å; E211-K215 WeakPolarHBondContact O-CB 3.45Å; E211-K215 PolarHBondContact O-N 3.09Å; I213-K215 VanDerWaalsContact C-N 3.3Å; I213-K215 PolarHBondContact O-N 3.47Å; K215-S218 PolarHBondContact O-N 2.8Å; K215-S218 PolarHBondContact O-OG 3.09Å
216F97.3Very high96.1Very high11 Ų1161.4 Ų61.45%0.04829%0.287CS..Hα-helixtrans-65.6-42178.5-176.5-93.5000112.3R47 W50 A51 W143 Y147 S212 I213 D214 S218 Q219R47-F216 HydrophobicContact CB-CB 4.22Å; R47-F216 HydrophobicContact CB-CD1 3.88Å; R47-F216 HydrophobicContact CB-CD2 4.4Å; R47-F216 HydrophobicContact CB-CE1 4.33Å; R47-F216 HydrophobicContact CB-CG 3.9Å; R47-F216 HydrophobicContact CG-CB 4.4Å; R47-F216 HydrophobicContact CG-CD1 3.54Å; R47-F216 HydrophobicContact CG-CE1 3.98Å; R47-F216 HydrophobicContact CG-CG 4.05Å; W50-F216 HydrophobicContact CB-CZ 4.01Å; W50-F216 AromaticContact CE3-CE1 3.87Å; W50-F216 HydrophobicContact CE3-CE1 3.87Å; W50-F216 HydrophobicContact CE3-CZ 4.24Å; A51-F216 HydrophobicContact CB-CD2 4.16Å; A51-F216 HydrophobicContact CB-CE2 3.83Å; W143-F216 HydrophobicContact CH2-CD2 4.31Å; Y147-F216 HydrophobicContact CD1-CD2 4.19Å; Y147-F216 HydrophobicContact CE1-CB 4.25Å; Y147-F216 AromaticContact CE1-CD2 3.69Å; Y147-F216 HydrophobicContact CE1-CD2 3.69Å; Y147-F216 HydrophobicContact CE1-CG 4.37Å; Y147-F216 HydrophobicContact CE2-CB 3.98Å; S212-F216 PolarHBondContact O-N 2.86Å; S212-F216 VanDerWaalsContact O-N 3.17Å; I213-F216 PolarHBondContact O-N 3.47Å; I213-F216 VanDerWaalsContact O-N 3.17Å; D214-F216 PolarHBondContact O-N 3.26Å; F216-S218 PolarHBondContact O-N 3.06Å; F216-Q219 WeakPolarHBondContact O-CB 3.22Å; F216-Q219 VanDerWaalsContact O-CG 3.24Å; F216-Q219 WeakPolarHBondContact O-CG 3.33Å; F216-Q219 PolarHBondContact O-N 3.39Å; F216-Q219 PolarHBondContact O-NE2 3.28Å
217D95.9Very high95.9Very high87 Ų8763.2 Ų63.247%0.46530%0.299SS..Hα-helixtrans-71-19.2-177.9-67.8-5.3000111.5R47 I213 D214 Q219R47-D217 IonicContact CZ-OD1 2.77Å; R47-D217 IonicContact CZ-OD2 3.86Å; R47-D217 IonicContact NE-OD1 2.59Å; R47-D217 PolarHBondContact NE-OD1 3.44Å; R47-D217 IonicContact NE-OD2 2.81Å; R47-D217 PolarHBondContact NE-OD2 3.04Å; R47-D217 IonicContact NH2-OD1 2.72Å; R47-D217 IonicContact NH2-OD2 2.96Å; R47-D217 PolarHBondContact NH2-OD2 2.82Å; I213-D217 WeakPolarHBondContact O-CB 3.27Å; I213-D217 PolarHBondContact O-N 3.02Å; D214-D217 PolarHBondContact O-N 3.01Å; D217-Q219 VanDerWaalsContact C-N 3.33Å; D217-Q219 PolarHBondContact O-N 3.24Å
218S94.1Very high95.9Very high65 Ų6563.1 Ų63.146%0.45530%0.302SS..THydrogen-bonded Turntrans-79.51174.974.80000115.9D214 K215 F216 K220D214-S218 VanDerWaalsContact O-CB 3.28Å; D214-S218 WeakPolarHBondContact O-CB 3.31Å; D214-S218 PolarHBondContact O-N 3.39Å; D214-S218 PolarHBondContact O-OG 3.29Å; K215-S218 PolarHBondContact O-N 2.8Å; K215-S218 PolarHBondContact O-OG 3.09Å; F216-S218 PolarHBondContact O-N 3.06Å; S218-K220 PolarHBondContact O-N 3.4Å
219Q94.1Very high95.7Very high21 Ų2163 Ų6310%0.09830%0.302CS..THydrogen-bonded Turntrans-68.811.1-171.274.6-173.5-61.500117Y140 W143 F216 D217 E221 E222 L223Y140-Q219 PolarHBondContact OH-OE1 2.89Å; W143-Q219 HydrophobicContact CH2-CB 3.33Å; W143-Q219 HydrophobicContact CH2-CG 4.34Å; W143-Q219 HydrophobicContact CZ2-CB 3.58Å; W143-Q219 HydrophobicContact CZ3-CB 3.89Å; F216-Q219 WeakPolarHBondContact O-CB 3.22Å; F216-Q219 VanDerWaalsContact O-CG 3.24Å; F216-Q219 WeakPolarHBondContact O-CG 3.33Å; F216-Q219 PolarHBondContact O-N 3.39Å; F216-Q219 PolarHBondContact O-NE2 3.28Å; D217-Q219 VanDerWaalsContact C-N 3.33Å; D217-Q219 PolarHBondContact O-N 3.24Å; Q219-E221 VanDerWaalsContact C-N 3.31Å; Q219-E221 PolarHBondContact O-N 3.45Å; Q219-E222 WeakPolarHBondContact CA-OE2 3.23Å; Q219-E222 PolarHBondContact O-N 3.43Å; Q219-L223 HydrophobicContact CG-CD1 3.87Å; Q219-L223 HydrophobicContact CG-CG 4.19Å; Q219-L223 WeakPolarHBondContact O-CG 3.36Å; Q219-L223 PolarHBondContact O-N 3.5Å
220K94.1Very high95.6Very high127 Ų12765.8 Ų65.855%0.55232%0.315SS*.Hα-helixtrans-62-39.2-171.9-175.5-178.2-175.7-175.80112S218 R224S218-K220 PolarHBondContact O-N 3.4Å; K220-R224 WeakPolarHBondContact O-CG 3.35Å; K220-R224 PolarHBondContact O-N 3.19Å; K220-R224 VanDerWaalsContact O-N 3.07Å
221E92.5Very high95.6Very high97 Ų9766 Ų6645%0.45333%0.325SS..Hα-helixtrans-71.7-37.3-179.8-60.3-50.7143.800111.3Q219 R224 K225Q219-E221 VanDerWaalsContact C-N 3.31Å; Q219-E221 PolarHBondContact O-N 3.45Å; E221-R224 WeakPolarHBondContact O-CB 3.49Å; E221-R224 PolarHBondContact O-N 3.23Å; E221-R224 IonicContact OE1-CZ 3.73Å; E221-R224 IonicContact OE1-NH1 2.82Å; E221-R224 PolarHBondContact OE1-NH1 3.01Å; E221-R224 WeakPolarHBondContact OE2-CD 3.4Å; E221-R224 IonicContact OE2-CZ 3.66Å; E221-R224 IonicContact OE2-NH1 3.38Å; E221-R224 PolarHBondContact OE2-NH1 3.49Å; E221-K225 WeakPolarHBondContact O-CG 3.46Å; E221-K225 PolarHBondContact O-N 3.35Å
222E93.5Very high95.6Very high37 Ų3765.8 Ų65.817%0.17332%0.324CS..Hα-helixtrans-65.3-41.5176-66.179.7-177.800111.7Y140 W143 Q219 R224 K225 L226Y140-E222 HydrophobicContact CD2-CB 3.74Å; Y140-E222 HydrophobicContact CE2-CB 4.19Å; W143-E222 HydrophobicContact CB-CG 4.12Å; W143-E222 VanDerWaalsContact CD1-OE1 3.25Å; W143-E222 HydrophobicContact CD2-CG 4.02Å; W143-E222 HydrophobicContact CG-CG 3.66Å; W143-E222 PolarHBondContact NE1-OE1 2.99Å; W143-E222 VanDerWaalsContact NE1-OE1 3.12Å; Q219-E222 WeakPolarHBondContact CA-OE2 3.23Å; Q219-E222 PolarHBondContact O-N 3.43Å; E222-R224 VanDerWaalsContact C-N 3.32Å; E222-R224 PolarHBondContact O-N 3.27Å; E222-K225 WeakPolarHBondContact O-CB 3.49Å; E222-K225 PolarHBondContact O-N 3.24Å; E222-L226 PolarHBondContact O-N 3.42Å; E222-L226 VanDerWaalsContact O-N 3.08Å
223L94.8Very high95.5Very high65 Ų6566.9 Ų66.934%0.3433%0.329SS..Hα-helixtrans-62.3-38.5172-72.4174.1000112.1Y140 Q219 K225 L226 L227Y140-L223 HydrophobicContact CE1-CD2 3.78Å; Y140-L223 HydrophobicContact CE2-CD2 4.28Å; Y140-L223 WeakPolarHBondContact OH-CD2 3.45Å; Q219-L223 HydrophobicContact CG-CD1 3.87Å; Q219-L223 HydrophobicContact CG-CG 4.19Å; Q219-L223 WeakPolarHBondContact O-CG 3.36Å; Q219-L223 PolarHBondContact O-N 3.5Å; L223-K225 VanDerWaalsContact C-N 3.34Å; L223-L226 WeakPolarHBondContact O-CB 3.36Å; L223-L226 PolarHBondContact O-N 3Å; L223-L227 WeakPolarHBondContact O-CG 3.38Å; L223-L227 PolarHBondContact O-N 2.97Å
224R95.4Very high95.5Very high118 Ų11873 Ų7345%0.44536%0.355SS..Hα-helixtrans-63.7-39.6174.5-77.1172.2176.6164.71.4112.2K220 E221 E222 L227 K228K220-R224 WeakPolarHBondContact O-CG 3.35Å; K220-R224 PolarHBondContact O-N 3.19Å; K220-R224 VanDerWaalsContact O-N 3.07Å; E221-R224 WeakPolarHBondContact O-CB 3.49Å; E221-R224 PolarHBondContact O-N 3.23Å; E221-R224 IonicContact OE1-CZ 3.73Å; E221-R224 IonicContact OE1-NH1 2.82Å; E221-R224 PolarHBondContact OE1-NH1 3.01Å; E221-R224 WeakPolarHBondContact OE2-CD 3.4Å; E221-R224 IonicContact OE2-CZ 3.66Å; E221-R224 IonicContact OE2-NH1 3.38Å; E221-R224 PolarHBondContact OE2-NH1 3.49Å; E222-R224 VanDerWaalsContact C-N 3.32Å; E222-R224 PolarHBondContact O-N 3.27Å; R224-L227 PolarHBondContact O-N 2.85Å; R224-K228 VanDerWaalsContact O-CB 3.27Å; R224-K228 WeakPolarHBondContact O-CB 3.46Å; R224-K228 PolarHBondContact O-N 3.15Å
225K93.6Very high95.6Very high92 Ų9275.5 Ų75.540%0.436%0.362SS..Hα-helixtrans-62.4-43.4175.8-67.6176.3179.3-175.10111.6E139 E221 E222 L223 K228 A229E139-K225 HydrophobicContact CB-CB 4.44Å; E139-K225 HydrophobicContact CB-CD 4.28Å; E139-K225 HydrophobicContact CG-CD 4.19Å; E139-K225 WeakPolarHBondContact OE2-CD 3.42Å; E139-K225 WeakPolarHBondContact OE2-CE 3.35Å; E139-K225 IonicContact OE2-NZ 3.37Å; E139-K225 PolarHBondContact OE2-NZ 3.48Å; E221-K225 WeakPolarHBondContact O-CG 3.46Å; E221-K225 PolarHBondContact O-N 3.35Å; E222-K225 WeakPolarHBondContact O-CB 3.49Å; E222-K225 PolarHBondContact O-N 3.24Å; L223-K225 VanDerWaalsContact C-N 3.34Å; K225-K228 PolarHBondContact O-N 2.8Å; K225-A229 WeakPolarHBondContact O-CB 3.36Å; K225-A229 PolarHBondContact O-N 3.48Å
226L93.8Very high95.6Very high20 Ų2073.4 Ų73.411%0.10536%0.358CS..Hα-helixtrans-55.9-53.7172.816964.6000111.4L58 V136 Y140 E222 L223 K228 A229 Q230L58-L226 HydrophobicContact CD2-CD1 4.35Å; L58-L226 HydrophobicContact CD2-CD2 4.3Å; V136-L226 HydrophobicContact CB-CD1 4.38Å; V136-L226 HydrophobicContact CG1-CD1 3.85Å; V136-L226 HydrophobicContact CG2-CD1 3.57Å; Y140-L226 HydrophobicContact CD1-CB 4.4Å; Y140-L226 HydrophobicContact CD1-CD2 3.83Å; Y140-L226 HydrophobicContact CE1-CD2 4.08Å; E222-L226 PolarHBondContact O-N 3.42Å; E222-L226 VanDerWaalsContact O-N 3.08Å; L223-L226 WeakPolarHBondContact O-CB 3.36Å; L223-L226 PolarHBondContact O-N 3Å; L226-K228 VanDerWaalsContact C-N 3.31Å; L226-K228 PolarHBondContact O-N 3.42Å; L226-A229 PolarHBondContact O-N 2.87Å; L226-Q230 HydrophobicContact CD1-CG 4.35Å; L226-Q230 WeakPolarHBondContact O-CG 3.26Å; L226-Q230 PolarHBondContact O-N 3.25Å
227L95.5Very high95.6Very high107 Ų10773.7 Ų73.756%0.5636%0.362SS*.Hα-helixtrans-64.2-36.8-178-69175.3000112.3L223 R224 Q230 S231L223-L227 WeakPolarHBondContact O-CG 3.38Å; L223-L227 PolarHBondContact O-N 2.97Å; R224-L227 PolarHBondContact O-N 2.85Å; L227-Q230 PolarHBondContact O-N 2.9Å; L227-S231 WeakPolarHBondContact O-CB 3.45Å; L227-S231 PolarHBondContact O-N 3.42Å
228K96.4Very high95.7Very high132 Ų13272.3 Ų72.357%0.57436%0.359SS*.Hα-helixtrans-63.4-46.6175.2-176.2177175.3-176.50111.2R224 K225 L226 Q230 S231 E232R224-K228 VanDerWaalsContact O-CB 3.27Å; R224-K228 WeakPolarHBondContact O-CB 3.46Å; R224-K228 PolarHBondContact O-N 3.15Å; K225-K228 PolarHBondContact O-N 2.8Å; L226-K228 VanDerWaalsContact C-N 3.31Å; L226-K228 PolarHBondContact O-N 3.42Å; K228-Q230 VanDerWaalsContact C-N 3.31Å; K228-Q230 PolarHBondContact O-N 2.93Å; K228-S231 PolarHBondContact O-N 3.19Å; K228-E232 WeakPolarHBondContact CE-OE1 3.37Å; K228-E232 WeakPolarHBondContact O-CG 3.37Å; K228-E232 PolarHBondContact O-N 3.13Å
229A95.4Very high95.9Very high7 Ų772.9 Ų72.96%0.05836%0.357CS..Hα-helixtrans-59.7-42.8176.800000111.7L132 T135 K225 L226 E232 H233L132-A229 HydrophobicContact CD1-CB 3.82Å; T135-A229 HydrophobicContact CG2-CB 3.64Å; K225-A229 WeakPolarHBondContact O-CB 3.36Å; K225-A229 PolarHBondContact O-N 3.48Å; L226-A229 PolarHBondContact O-N 2.87Å; A229-E232 PolarHBondContact O-N 3.48Å; A229-H233 WeakPolarHBondContact O-CB 3.45Å; A229-H233 PolarHBondContact O-N 3.25Å
230Q95.7Very high96.1Very high59 Ų5972 Ų7228%0.27635%0.353SS..Hα-helixtrans-63.2-44.5175.1-71.6176.6-3000112L132 L226 L227 K228 E232 H233 F234L132-Q230 HydrophobicContact CD1-CB 4.5Å; L132-Q230 HydrophobicContact CD1-CG 3.93Å; L226-Q230 HydrophobicContact CD1-CG 4.35Å; L226-Q230 WeakPolarHBondContact O-CG 3.26Å; L226-Q230 PolarHBondContact O-N 3.25Å; L227-Q230 PolarHBondContact O-N 2.9Å; K228-Q230 VanDerWaalsContact C-N 3.31Å; K228-Q230 PolarHBondContact O-N 2.93Å; Q230-E232 PolarHBondContact O-N 2.84Å; Q230-H233 WeakPolarHBondContact O-CB 3.4Å; Q230-H233 PolarHBondContact O-N 3.06Å; Q230-F234 HydrophobicContact CB-CD2 4.42Å; Q230-F234 HydrophobicContact CB-CE2 4.21Å; Q230-F234 WeakPolarHBondContact O-CD2 3.48Å; Q230-F234 PolarHBondContact O-N 3.4Å
231S97.6Very high96.2Very high81 Ų8168.9 Ų68.957%0.56635%0.345SS*.Hα-helixtrans-62-43.5177.9-1800000112.3L227 K228 H233 K235L227-S231 WeakPolarHBondContact O-CB 3.45Å; L227-S231 PolarHBondContact O-N 3.42Å; K228-S231 PolarHBondContact O-N 3.19Å; S231-H233 VanDerWaalsContact C-N 3.35Å; S231-K235 WeakPolarHBondContact O-CB 3.38Å; S231-K235 PolarHBondContact O-N 3.18Å
232E97.4Very high96.5Very high88 Ų8868 Ų6841%0.41134%0.341SS..Hα-helixtrans-62.8-42.5175.8-72.5176.6-168.800111.4K228 A229 Q230 A236K228-E232 WeakPolarHBondContact CE-OE1 3.37Å; K228-E232 WeakPolarHBondContact O-CG 3.37Å; K228-E232 PolarHBondContact O-N 3.13Å; A229-E232 PolarHBondContact O-N 3.48Å; Q230-E232 PolarHBondContact O-N 2.84Å; E232-A236 WeakPolarHBondContact O-CB 3.43Å; E232-A236 PolarHBondContact O-N 2.91Å
233H97Very high96.6Very high25 Ų2569.7 Ų69.712%0.11636%0.356CS..Hα-helixtrans-60.3-54.7177.2171.566.8000112.3S128 E129 L132 A229 Q230 S231 K235 A236 C237S128-H233 PolarHBondContact O-ND1 3.27Å; S128-H233 WeakPolarHBondContact OG-CA 3.45Å; S128-H233 PolarHBondContact OG-ND1 3.42Å; S128-H233 PolarHBondContact OG-O 3.35Å; E129-H233 PolarHBondContact N-CE1 2.96Å; E129-H233 PolarHBondContact N-ND1 3.16Å; L132-H233 HydrophobicContact CB-CB 4.04Å; L132-H233 HydrophobicContact CD1-CB 4.3Å; L132-H233 HydrophobicContact CD2-CB 4.05Å; L132-H233 HydrophobicContact CG-CB 4.36Å; A229-H233 WeakPolarHBondContact O-CB 3.45Å; A229-H233 PolarHBondContact O-N 3.25Å; Q230-H233 WeakPolarHBondContact O-CB 3.4Å; Q230-H233 PolarHBondContact O-N 3.06Å; S231-H233 VanDerWaalsContact C-N 3.35Å; H233-K235 VanDerWaalsContact C-N 3.28Å; H233-K235 PolarHBondContact O-N 3Å; H233-A236 PolarHBondContact O-N 3.43Å; H233-C237 PolarHBondContact CE1-SG 3.12Å; H233-C237 PolarHBondContact O-N 3.05Å; H233-C237 PolarHBondContact O-SG 3.38Å
234F97.6Very high96.6Very high137 Ų13767.1 Ų67.160%0.60135%0.345SS*.Hα-helixtrans-63.3-35.7-178.1-71-57.8000112.3Q230 C237 S238Q230-F234 HydrophobicContact CB-CD2 4.42Å; Q230-F234 HydrophobicContact CB-CE2 4.21Å; Q230-F234 WeakPolarHBondContact O-CD2 3.48Å; Q230-F234 PolarHBondContact O-N 3.4Å; F234-C237 PolarHBondContact O-N 3.42Å; F234-S238 WeakPolarHBondContact O-CB 3.21Å; F234-S238 PolarHBondContact O-N 3.32Å
235K98.3Very high96.6Very high136 Ų13667.4 Ų67.459%0.59135%0.354SS*.Hα-helixtrans-62.3-50.4173.4-178.4174.3178.2177.40111.4S231 H233 C237 S238 D239S231-K235 WeakPolarHBondContact O-CB 3.38Å; S231-K235 PolarHBondContact O-N 3.18Å; H233-K235 VanDerWaalsContact C-N 3.28Å; H233-K235 PolarHBondContact O-N 3Å; K235-C237 VanDerWaalsContact C-N 3.29Å; K235-C237 PolarHBondContact O-N 3.49Å; K235-S238 WeakPolarHBondContact O-CB 3.43Å; K235-S238 PolarHBondContact O-N 3.21Å; K235-S238 VanDerWaalsContact O-N 3.13Å; K235-D239 VanDerWaalsContact O-CG 3.3Å; K235-D239 PolarHBondContact O-N 2.72Å
236A97.9Very high96.6Very high29 Ų2972.1 Ų72.124%0.2437%0.369CS..Hα-helixtrans-59.6-40.1178.200000112.1E232 H233 D239 A240E232-A236 WeakPolarHBondContact O-CB 3.43Å; E232-A236 PolarHBondContact O-N 2.91Å; H233-A236 PolarHBondContact O-N 3.43Å; A236-D239 PolarHBondContact O-N 2.9Å; A236-A240 WeakPolarHBondContact O-CB 3.47Å; A236-A240 PolarHBondContact O-N 3.25Å
237C97.9Very high96.4Very high18 Ų1873.3 Ų73.312%0.12238%0.382CS..Hα-helixtrans-63.9-42.2175-660000112.4I125 H233 F234 K235 A240 V241I125-C237 HydrophobicContact CG1-CB 4.27Å; H233-C237 PolarHBondContact CE1-SG 3.12Å; H233-C237 PolarHBondContact O-N 3.05Å; H233-C237 PolarHBondContact O-SG 3.38Å; F234-C237 PolarHBondContact O-N 3.42Å; K235-C237 VanDerWaalsContact C-N 3.29Å; K235-C237 PolarHBondContact O-N 3.49Å; C237-A240 PolarHBondContact O-N 3.03Å; C237-V241 VanDerWaalsContact O-CG2 3.31Å; C237-V241 WeakPolarHBondContact O-CG2 3.35Å; C237-V241 PolarHBondContact O-N 3.49Å; C237-V241 VanDerWaalsContact O-N 3.1Å
238S98Very high96Very high57 Ų5774.5 Ų74.540%0.39939%0.388SS..Hα-helixtrans-62.1-48176-163.30000111.2F234 K235 A240 V241 E242F234-S238 WeakPolarHBondContact O-CB 3.21Å; F234-S238 PolarHBondContact O-N 3.32Å; K235-S238 WeakPolarHBondContact O-CB 3.43Å; K235-S238 PolarHBondContact O-N 3.21Å; K235-S238 VanDerWaalsContact O-N 3.13Å; S238-A240 VanDerWaalsContact C-N 3.34Å; S238-A240 PolarHBondContact O-N 3.39Å; S238-V241 PolarHBondContact O-N 3.28Å; S238-E242 WeakPolarHBondContact O-CB 3.42Å; S238-E242 WeakPolarHBondContact O-CG 3.28Å; S238-E242 PolarHBondContact O-N 2.79Å
239D97.9Very high96Very high78 Ų7871.7 Ų71.742%0.41738%0.378SS..Hα-helixtrans-61-42.4-180-67.6-20000111.1K235 A236 S243K235-D239 VanDerWaalsContact O-CG 3.3Å; K235-D239 PolarHBondContact O-N 2.72Å; A236-D239 PolarHBondContact O-N 2.9Å; D239-S243 VanDerWaalsContact O-CB 3.22Å; D239-S243 WeakPolarHBondContact O-CB 3.32Å; D239-S243 PolarHBondContact O-N 3.04Å
240A97.4Very high96.1Very high2 Ų275.1 Ų75.12%0.01740%0.395CS..Hα-helixtrans-60.7-47.3176.700000112.4A121 E124 I125 A236 C237 S238 S243 A244A121-A240 HydrophobicContact CB-CB 4.47Å; E124-A240 HydrophobicContact CB-CB 3.96Å; E124-A240 HydrophobicContact CG-CB 3.83Å; E124-A240 VanDerWaalsContact OE2-CB 3.27Å; E124-A240 WeakPolarHBondContact OE2-CB 3.41Å; I125-A240 HydrophobicContact CG1-CB 4.28Å; A236-A240 WeakPolarHBondContact O-CB 3.47Å; A236-A240 PolarHBondContact O-N 3.25Å; C237-A240 PolarHBondContact O-N 3.03Å; S238-A240 VanDerWaalsContact C-N 3.34Å; S238-A240 PolarHBondContact O-N 3.39Å; A240-S243 PolarHBondContact O-N 3.21Å; A240-A244 PolarHBondContact O-N 3.27Å; A240-A244 VanDerWaalsContact O-N 3.09Å
241V97.2Very high96.1Very high62 Ų6275.9 Ų75.938%0.37640%0.402SS..Hα-helixtrans-67.3-45.6179.7173.50000111.1I125 C237 S238 S243 A244 L245I125-V241 HydrophobicContact CD1-CG2 3.79Å; C237-V241 VanDerWaalsContact O-CG2 3.31Å; C237-V241 WeakPolarHBondContact O-CG2 3.35Å; C237-V241 PolarHBondContact O-N 3.49Å; C237-V241 VanDerWaalsContact O-N 3.1Å; S238-V241 PolarHBondContact O-N 3.28Å; V241-S243 VanDerWaalsContact C-N 3.32Å; V241-S243 PolarHBondContact O-N 3.29Å; V241-A244 PolarHBondContact O-N 3.35Å; V241-L245 HydrophobicContact CG1-CD1 3.95Å; V241-L245 HydrophobicContact CG1-CG 4.33Å; V241-L245 WeakPolarHBondContact O-CB 3.26Å; V241-L245 WeakPolarHBondContact O-CG 3.25Å; V241-L245 PolarHBondContact O-N 3.29Å
242E97.6Very high96Very high79 Ų7975.6 Ų75.637%0.36939%0.392SS..Hα-helixtrans-62-40177.7-75.9-175-161.900112.3S238 L245 R246S238-E242 WeakPolarHBondContact O-CB 3.42Å; S238-E242 WeakPolarHBondContact O-CG 3.28Å; S238-E242 PolarHBondContact O-N 2.79Å; E242-L245 PolarHBondContact O-N 3.16Å; E242-R246 WeakPolarHBondContact O-CG 3.28Å; E242-R246 PolarHBondContact O-N 3.44Å; E242-R246 IonicContact OE2-CZ 2.65Å; E242-R246 IonicContact OE2-NH2 3.3Å; E242-R246 PolarHBondContact OE2-NH2 3.32Å
243S95.8Very high95.9Very high72 Ų7274.9 Ų74.950%0.50339%0.391SS..Hα-helixtrans-61.4-45.7175.9-174.80000111.5D239 A240 V241 R246 A247D239-S243 VanDerWaalsContact O-CB 3.22Å; D239-S243 WeakPolarHBondContact O-CB 3.32Å; D239-S243 PolarHBondContact O-N 3.04Å; A240-S243 PolarHBondContact O-N 3.21Å; V241-S243 VanDerWaalsContact C-N 3.32Å; V241-S243 PolarHBondContact O-N 3.29Å; S243-R246 PolarHBondContact O-N 3.11Å; S243-A247 WeakPolarHBondContact O-CB 3.49Å; S243-A247 PolarHBondContact O-N 3.21Å
244A94.9Very high95.8Very high11 Ų1178.2 Ų78.29%0.09141%0.409CS..Hα-helixtrans-65.9-41.3175.900000112.8A121 A240 V241 R246 A247 I248A121-A244 HydrophobicContact CB-CB 3.64Å; A240-A244 PolarHBondContact O-N 3.27Å; A240-A244 VanDerWaalsContact O-N 3.09Å; V241-A244 PolarHBondContact O-N 3.35Å; A244-R246 VanDerWaalsContact C-N 3.27Å; A244-R246 PolarHBondContact O-N 2.94Å; A244-A247 PolarHBondContact O-N 3.05Å; A244-I248 WeakPolarHBondContact O-CG1 3.44Å; A244-I248 PolarHBondContact O-N 2.78Å
245L95.3Very high95.7Very high123 Ų12374 Ų7464%0.64440%0.396SS*.Hα-helixtrans-61.5-33.7176.6-76.3172.7000112.9V241 E242 A247V241-L245 HydrophobicContact CG1-CD1 3.95Å; V241-L245 HydrophobicContact CG1-CG 4.33Å; V241-L245 WeakPolarHBondContact O-CB 3.26Å; V241-L245 WeakPolarHBondContact O-CG 3.25Å; V241-L245 PolarHBondContact O-N 3.29Å; E242-L245 PolarHBondContact O-N 3.16Å; L245-A247 VanDerWaalsContact C-N 3.32Å
246R94.6Very high95.5Very high192 Ų19269.2 Ų69.273%0.72538%0.381SS*.Hα-helixtrans-76.4-19.8175.2-69.4176.6-164.413712.3113.3E242 S243 A244E242-R246 WeakPolarHBondContact O-CG 3.28Å; E242-R246 PolarHBondContact O-N 3.44Å; E242-R246 IonicContact OE2-CZ 2.65Å; E242-R246 IonicContact OE2-NH2 3.3Å; E242-R246 PolarHBondContact OE2-NH2 3.32Å; S243-R246 PolarHBondContact O-N 3.11Å; A244-R246 VanDerWaalsContact C-N 3.27Å; A244-R246 PolarHBondContact O-N 2.94Å
247A90.1Very high95.3Very high44 Ų4472.6 Ų72.636%0.36439%0.392SS..Hα-helixtrans-98.8-6.3-17300000114.1K117 S243 A244 L245K117-A247 HydrophobicContact CB-CB 4.39Å; K117-A247 HydrophobicContact CD-CB 3.82Å; K117-A247 HydrophobicContact CG-CB 3.92Å; S243-A247 WeakPolarHBondContact O-CB 3.49Å; S243-A247 PolarHBondContact O-N 3.21Å; A244-A247 PolarHBondContact O-N 3.05Å; L245-A247 VanDerWaalsContact C-N 3.32Å
248I87.2Confident95.1Very high133 Ų13377.5 Ų77.568%0.68242%0.417SS*.  trans-1030176.5-64.2170.5000108.5A114 K117 C118 A244A114-I248 HydrophobicContact CB-CB 4.47Å; A114-I248 HydrophobicContact CB-CG1 4.11Å; A114-I248 HydrophobicContact CB-CG2 3.79Å; K117-I248 HydrophobicContact CB-CD1 4.38Å; K117-I248 HydrophobicContact CB-CG1 3.96Å; C118-I248 HydrophobicContact CB-CD1 4.38Å; A244-I248 WeakPolarHBondContact O-CG1 3.44Å; A244-I248 PolarHBondContact O-N 2.78Å

Retrieved 248 of 248 residues in 572.9 ms (Link to these results)

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