A0A3Q0KTR1_SCHMA Loading...

Putative opsin-like receptor

AlphaFold DB , UniProt , Accession A0A3Q0KTR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 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
1M59Low64.6Low177 Ų177117 Ų11787%0.87258%0.583SS**  0-38.70-151.4162.783.800113K5M1-K5 WeakPolarHBondContact O-CG 3.35Å; M1-K5 PolarHBondContact O-N 3.47Å; M1-K5 VanDerWaalsContact O-N 3.16Å
2S75.5Confident64.4Low83 Ų83116.4 Ų116.458%0.5858%0.582SS**Hα-helixtrans-63-43.8172.251.10000113.1K5 N6S2-K5 PolarHBondContact O-N 2.65Å; S2-N6 WeakPolarHBondContact O-CB 3.5Å; S2-N6 VanDerWaalsContact O-CG 3.31Å; S2-N6 PolarHBondContact O-N 2.98Å
3E69.9Low64.2Low159 Ų159112.6 Ų112.674%0.74356%0.564SS**Hα-helixtrans-63.3-43.1179.4-68.9-180164.100112.6N6 F7E3-N6 PolarHBondContact O-N 3.18Å; E3-F7 WeakPolarHBondContact O-CB 3.29Å; E3-F7 PolarHBondContact O-N 3.27Å
4I68.9Low64Low118 Ų118114.8 Ų114.861%0.60556%0.564SS**Hα-helixtrans-61.7-46.2174.4-62.9172.5000109.9N6 F7 T8I4-N6 VanDerWaalsContact C-N 3.3Å; I4-N6 PolarHBondContact O-N 2.94Å; I4-F7 PolarHBondContact O-N 3.08Å; I4-T8 WeakPolarHBondContact O-CB 3.38Å; I4-T8 PolarHBondContact O-N 3.25Å; I4-T8 PolarHBondContact O-OG1 3.07Å
5K65.3Low64.1Low138 Ų138113.3 Ų113.360%0.656%0.559SS**Hα-helixtrans-59.9-39.9175.7-76.4-176178.2-175.80112.3M1 S2 R9M1-K5 WeakPolarHBondContact O-CG 3.35Å; M1-K5 PolarHBondContact O-N 3.47Å; M1-K5 VanDerWaalsContact O-N 3.16Å; S2-K5 PolarHBondContact O-N 2.65Å; K5-R9 WeakPolarHBondContact O-CB 3.38Å; K5-R9 PolarHBondContact O-N 2.95Å
6N64.6Low64.7Low103 Ų103111.4 Ų111.455%0.55154%0.544SS*.Hα-helixtrans-66.9-41176.7-73.2-14000111.6S2 E3 I4 R9 S10S2-N6 WeakPolarHBondContact O-CB 3.5Å; S2-N6 VanDerWaalsContact O-CG 3.31Å; S2-N6 PolarHBondContact O-N 2.98Å; E3-N6 PolarHBondContact O-N 3.18Å; I4-N6 VanDerWaalsContact C-N 3.3Å; I4-N6 PolarHBondContact O-N 2.94Å; N6-R9 PolarHBondContact O-N 3.44Å; N6-S10 WeakPolarHBondContact O-CB 3.47Å; N6-S10 PolarHBondContact O-N 3.27Å; N6-S10 PolarHBondContact O-OG 3.26Å
7F65.2Low65.7Low132 Ų132107.4 Ų107.458%0.57953%0.527SS*.Hα-helixtrans-67.8-43.6176.6-177.2-106.6000112.3E3 I4 R9 S10 L11E3-F7 WeakPolarHBondContact O-CB 3.29Å; E3-F7 PolarHBondContact O-N 3.27Å; I4-F7 PolarHBondContact O-N 3.08Å; F7-R9 VanDerWaalsContact C-N 3.3Å; F7-R9 PolarHBondContact O-N 3.34Å; F7-S10 WeakPolarHBondContact CA-OG 3.32Å; F7-S10 PolarHBondContact O-N 3.49Å; F7-S10 PolarHBondContact O-OG 2.95Å; F7-L11 HydrophobicContact CD1-CD1 3.63Å; F7-L11 HydrophobicContact CE1-CD1 3.19Å; F7-L11 HydrophobicContact CE1-CG 4.38Å; F7-L11 HydrophobicContact CE2-CD1 4.21Å; F7-L11 HydrophobicContact CG-CD1 4.31Å; F7-L11 HydrophobicContact CZ-CD1 3.52Å; F7-L11 HydrophobicContact CZ-CG 4.34Å; F7-L11 WeakPolarHBondContact O-CB 3.44Å; F7-L11 PolarHBondContact O-N 3.41Å
8T63.1Low66.7Low67 Ų67101.4 Ų101.441%0.41150%0.498SS..Hα-helixtrans-63.7-39.5173.3-44.60000110.5I4 L12I4-T8 WeakPolarHBondContact O-CB 3.38Å; I4-T8 PolarHBondContact O-N 3.25Å; I4-T8 PolarHBondContact O-OG1 3.07Å; T8-L12 HydrophobicContact CG2-CD1 4.13Å; T8-L12 HydrophobicContact CG2-CG 4.46Å; T8-L12 VanDerWaalsContact O-CB 3.27Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 WeakPolarHBondContact O-CG 3.22Å; T8-L12 PolarHBondContact O-N 2.79Å
9R59.9Low67.2Low177 Ų17799 Ų9967%0.66849%0.492SS*.Hα-helixtrans-67.5-38.8177.1-167.5176.2-175.3-179.41.3112.1K5 N6 F7 L12 L13K5-R9 WeakPolarHBondContact O-CB 3.38Å; K5-R9 PolarHBondContact O-N 2.95Å; N6-R9 PolarHBondContact O-N 3.44Å; F7-R9 VanDerWaalsContact C-N 3.3Å; F7-R9 PolarHBondContact O-N 3.34Å; R9-L12 PolarHBondContact O-N 3.47Å; R9-L13 HydrophobicContact CG-CD1 4.5Å; R9-L13 VanDerWaalsContact O-CG 3.26Å; R9-L13 WeakPolarHBondContact O-CG 3.09Å; R9-L13 PolarHBondContact O-N 3.48Å
10S59.9Low67.7Low59 Ų5998.3 Ų98.341%0.41349%0.489SS..Hα-helixtrans-68.7-42.3175.464.60000111.8N6 F7 L12 L13 Y14N6-S10 WeakPolarHBondContact O-CB 3.47Å; N6-S10 PolarHBondContact O-N 3.27Å; N6-S10 PolarHBondContact O-OG 3.26Å; F7-S10 WeakPolarHBondContact CA-OG 3.32Å; F7-S10 PolarHBondContact O-N 3.49Å; F7-S10 PolarHBondContact O-OG 2.95Å; S10-L12 PolarHBondContact O-N 2.9Å; S10-L13 PolarHBondContact O-N 3.13Å; S10-Y14 WeakPolarHBondContact O-CB 3.49Å; S10-Y14 PolarHBondContact O-N 3.19Å
11L59.8Low68.2Low74 Ų7493.7 Ų93.739%0.38747%0.466SS..Hα-helixtrans-59.8-43.4171.8-90.2159.7000112.3F7 L13 Y14 N15F7-L11 HydrophobicContact CD1-CD1 3.63Å; F7-L11 HydrophobicContact CE1-CD1 3.19Å; F7-L11 HydrophobicContact CE1-CG 4.38Å; F7-L11 HydrophobicContact CE2-CD1 4.21Å; F7-L11 HydrophobicContact CG-CD1 4.31Å; F7-L11 HydrophobicContact CZ-CD1 3.52Å; F7-L11 HydrophobicContact CZ-CG 4.34Å; F7-L11 WeakPolarHBondContact O-CB 3.44Å; F7-L11 PolarHBondContact O-N 3.41Å; L11-L13 VanDerWaalsContact C-N 3.29Å; L11-L13 PolarHBondContact O-N 3.11Å; L11-Y14 PolarHBondContact O-N 3.12Å; L11-N15 WeakPolarHBondContact O-CB 3.41Å; L11-N15 PolarHBondContact O-N 3.25Å
12L61.7Low68.8Low110 Ų11090.3 Ų90.358%0.57645%0.446SS*.Hα-helixtrans-67-29.3177.1-76.8170.7000112.7T8 R9 S10 R16T8-L12 HydrophobicContact CG2-CD1 4.13Å; T8-L12 HydrophobicContact CG2-CG 4.46Å; T8-L12 VanDerWaalsContact O-CB 3.27Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 WeakPolarHBondContact O-CG 3.22Å; T8-L12 PolarHBondContact O-N 2.79Å; R9-L12 PolarHBondContact O-N 3.47Å; S10-L12 PolarHBondContact O-N 2.9Å; L12-R16 WeakPolarHBondContact O-CG 3.23Å
13L62.2Low68.6Low67 Ų6792.5 Ų92.535%0.35145%0.451SS..Hα-helixtrans-74.3-41.1172.6-74.4166.9000111.1R9 S10 L11R9-L13 HydrophobicContact CG-CD1 4.5Å; R9-L13 VanDerWaalsContact O-CG 3.26Å; R9-L13 WeakPolarHBondContact O-CG 3.09Å; R9-L13 PolarHBondContact O-N 3.48Å; S10-L13 PolarHBondContact O-N 3.13Å; L11-L13 VanDerWaalsContact C-N 3.29Å; L11-L13 PolarHBondContact O-N 3.11Å
14Y61.1Low68.6Low143 Ų14387.8 Ų87.856%0.56143%0.431SS*.Hα-helixtrans-67.9-34.6-179.1-163.8-97.9000113S10 L11 D43S10-Y14 WeakPolarHBondContact O-CB 3.49Å; S10-Y14 PolarHBondContact O-N 3.19Å; L11-Y14 PolarHBondContact O-N 3.12Å; Y14-D43 HydrophobicContact CE2-CB 4.4Å; Y14-D43 WeakPolarHBondContact CE2-OD2 3.45Å
15N64.8Low68.8Low92 Ų9283.1 Ų83.149%0.49241%0.407SS..THydrogen-bonded Turntrans-96.916.8-177.6-76.4-14.6000114.4L11 T17 M20L11-N15 WeakPolarHBondContact O-CB 3.41Å; L11-N15 PolarHBondContact O-N 3.25Å; N15-T17 PolarHBondContact O-N 3.37Å; N15-M20 VanDerWaalsContact O-CE 3.23Å; N15-M20 WeakPolarHBondContact O-CE 3.44Å
16R74.2Confident69Low84 Ų8485.2 Ų85.232%0.31742%0.419SS..  trans-67.9126.8176-66-165.2173.4-166.7-4.9110.6L12 M20 Q41L12-R16 WeakPolarHBondContact O-CG 3.23Å; R16-M20 HydrophobicContact CB-SD 4.28Å; R16-M20 HydrophobicContact CG-SD 4.24Å; R16-Q41 HydrophobicContact CB-CG 4.36Å; R16-Q41 WeakPolarHBondContact O-CB 3.36Å; R16-Q41 PolarHBondContact O-N 3.2Å
17T81.6Confident69.7Low42 Ų4282.5 Ų82.526%0.25840%0.404SS..BIsolated β-bridgetrans-83.6158.8168.758.70000109.6N15 S19 M20 I21 T40N15-T17 PolarHBondContact O-N 3.37Å; T17-S19 PolarHBondContact O-N 2.8Å; T17-M20 HydrophobicContact CG2-CE 4.16Å; T17-M20 WeakPolarHBondContact O-CB 3.39Å; T17-M20 PolarHBondContact O-N 2.73Å; T17-M20 PolarHBondContact OG1-N 3.38Å; T17-I21 PolarHBondContact O-N 2.85Å; T17-T40 HydrophobicContact CG2-CG2 4.33Å
18F84Confident70.3Confident0 Ų081.5 Ų81.50%041%0.414CS..Hα-helixtrans-60.4-28.5171.5-71.2-53.1000112.1M20 I21 K22 M32 W36 Y39 Q41 Q193 P305F18-M20 PolarHBondContact O-N 3.48Å; F18-I21 HydrophobicContact CD1-CD1 3.57Å; F18-I21 HydrophobicContact CD1-CG1 4.41Å; F18-I21 HydrophobicContact CE1-CD1 4.03Å; F18-I21 WeakPolarHBondContact O-CB 3.42Å; F18-I21 PolarHBondContact O-N 3.31Å; F18-I21 VanDerWaalsContact O-N 3.07Å; F18-K22 PolarHBondContact O-N 3.47Å; F18-M32 HydrophobicContact CB-CE 4.38Å; F18-M32 HydrophobicContact CB-SD 3.93Å; F18-W36 WeakPolarHBondContact CD2-O 3.27Å; F18-Y39 WeakPolarHBondContact CD2-O 3.28Å; F18-Y39 PolarHBondContact N-O 3.07Å; F18-Y39 VanDerWaalsContact N-O 3.16Å; F18-Q41 HydrophobicContact CD1-CG 3.85Å; F18-Q41 HydrophobicContact CE1-CB 4.45Å; F18-Q41 HydrophobicContact CE1-CG 3.74Å; F18-Q193 HydrophobicContact CB-CG 4.45Å; F18-Q193 HydrophobicContact CD1-CB 4.05Å; F18-Q193 HydrophobicContact CD1-CG 3.29Å; F18-Q193 HydrophobicContact CD2-CG 4.31Å; F18-Q193 HydrophobicContact CE1-CB 4.01Å; F18-Q193 HydrophobicContact CE1-CG 3.41Å; F18-Q193 VanDerWaalsContact CE1-CG 3.41Å; F18-Q193 HydrophobicContact CE2-CG 4.39Å; F18-Q193 HydrophobicContact CG-CG 3.79Å; F18-Q193 HydrophobicContact CZ-CG 3.98Å; F18-P305 HydrophobicContact CE2-CB 4.11Å; F18-P305 HydrophobicContact CE2-CG 3.71Å; F18-P305 HydrophobicContact CZ-CB 4.36Å; F18-P305 HydrophobicContact CZ-CG 4.43Å
19S77.1Confident71.2Confident56 Ų5683.5 Ų83.539%0.39242%0.422SS..Hα-helixtrans-55.8-36.3169.4-167.90000113.3T17 K22T17-S19 PolarHBondContact O-N 2.8Å; S19-K22 WeakPolarHBondContact O-CB 3.46Å; S19-K22 PolarHBondContact O-N 3.33Å
20M76.1Confident72.6Confident85 Ų8575.7 Ų75.742%0.41939%0.394SS..Hα-helixtrans-74.3-29.1177.5-63.1-177.7-137.300112.3N15 R16 T17 F18 K22 N23N15-M20 VanDerWaalsContact O-CE 3.23Å; N15-M20 WeakPolarHBondContact O-CE 3.44Å; R16-M20 HydrophobicContact CB-SD 4.28Å; R16-M20 HydrophobicContact CG-SD 4.24Å; T17-M20 HydrophobicContact CG2-CE 4.16Å; T17-M20 WeakPolarHBondContact O-CB 3.39Å; T17-M20 PolarHBondContact O-N 2.73Å; T17-M20 PolarHBondContact OG1-N 3.38Å; F18-M20 PolarHBondContact O-N 3.48Å; M20-K22 VanDerWaalsContact C-N 3.29Å; M20-N23 PolarHBondContact O-N 2.87Å
21I78.3Confident74Confident1 Ų176.2 Ų76.21%0.00539%0.391CS..Hα-helixtrans-64.9-38.5174-58.8-172.1000110.7T17 F18 N23 N24 I25 Q41 Y113T17-I21 PolarHBondContact O-N 2.85Å; F18-I21 HydrophobicContact CD1-CD1 3.57Å; F18-I21 HydrophobicContact CD1-CG1 4.41Å; F18-I21 HydrophobicContact CE1-CD1 4.03Å; F18-I21 WeakPolarHBondContact O-CB 3.42Å; F18-I21 PolarHBondContact O-N 3.31Å; F18-I21 VanDerWaalsContact O-N 3.07Å; I21-N23 PolarHBondContact O-N 3.28Å; I21-N24 WeakPolarHBondContact O-CA 3.49Å; I21-N24 WeakPolarHBondContact O-CB 3.46Å; I21-N24 PolarHBondContact O-N 2.87Å; I21-I25 HydrophobicContact CG2-CD1 4.02Å; I21-I25 HydrophobicContact CG2-CG1 4.16Å; I21-I25 PolarHBondContact O-N 3.22Å; I21-Q41 HydrophobicContact CD1-CG 3.68Å; I21-Q41 HydrophobicContact CG1-CG 4.19Å; I21-Y113 HydrophobicContact CG2-CG 4.23Å
22K72.5Confident75.6Confident107 Ų10773.2 Ų73.247%0.46538%0.375SS..Hα-helixtrans-52-32.3-178.2-166.1175.8179.6178.20111.9F18 S19 M20 I25F18-K22 PolarHBondContact O-N 3.47Å; S19-K22 WeakPolarHBondContact O-CB 3.46Å; S19-K22 PolarHBondContact O-N 3.33Å; M20-K22 VanDerWaalsContact C-N 3.29Å; K22-I25 PolarHBondContact O-N 3.01Å
23N70.4Confident77.1Confident128 Ų12868.7 Ų68.768%0.68435%0.351SS*.THydrogen-bonded Turntrans-71.1-25.6175.5-62.8-17.1000114.3M20 I21 I25M20-N23 PolarHBondContact O-N 2.87Å; I21-N23 PolarHBondContact O-N 3.28Å; N23-I25 VanDerWaalsContact C-N 3.34Å
24N70.3Confident78.4Confident61 Ų6171.9 Ų71.933%0.32637%0.369SS..THydrogen-bonded Turntrans-82.3-14.9173.9-61.5-29.5000112.4I21 H26I21-N24 WeakPolarHBondContact O-CA 3.49Å; I21-N24 WeakPolarHBondContact O-CB 3.46Å; I21-N24 PolarHBondContact O-N 2.87Å; N24-H26 PolarHBondContact O-N 3.42Å
25I72.4Confident80Confident19 Ų1966.3 Ų66.310%0.09735%0.348CS..  trans-90.1100.4175.8-51.8166.1000107.4I21 K22 N23 D27 I30 M32 Y113 L189I21-I25 HydrophobicContact CG2-CD1 4.02Å; I21-I25 HydrophobicContact CG2-CG1 4.16Å; I21-I25 PolarHBondContact O-N 3.22Å; K22-I25 PolarHBondContact O-N 3.01Å; N23-I25 VanDerWaalsContact C-N 3.34Å; I25-D27 HydrophobicContact CG2-CB 4.25Å; I25-D27 PolarHBondContact O-N 3.43Å; I25-D27 VanDerWaalsContact O-N 3.12Å; I25-I30 HydrophobicContact CB-CG2 4.2Å; I25-I30 HydrophobicContact CD1-CD1 4.46Å; I25-I30 HydrophobicContact CD1-CG2 4.09Å; I25-I30 HydrophobicContact CG2-CB 4.18Å; I25-I30 HydrophobicContact CG2-CD1 4.13Å; I25-I30 HydrophobicContact CG2-CG2 3.48Å; I25-I30 VanDerWaalsContact CG2-CG2 3.48Å; I25-M32 HydrophobicContact CD1-CE 4.42Å; I25-Y113 HydrophobicContact CG1-CD2 4.43Å; I25-L189 HydrophobicContact CD1-CD1 4.05Å
26H69.4Low81.3Confident183 Ų18362 Ų6285%0.84732%0.324SS*.  trans-72.11.7-178.2-63.2-62.7000114.2N24N24-H26 PolarHBondContact O-N 3.42Å
27D79.3Confident81.9Confident45 Ų4560 Ų6024%0.24132%0.32CS..  trans-104.7108.1-179.7-172.7-20000109.5I25 D29 I30 G117 S118I25-D27 HydrophobicContact CG2-CB 4.25Å; I25-D27 PolarHBondContact O-N 3.43Å; I25-D27 VanDerWaalsContact O-N 3.12Å; D27-D29 PolarHBondContact O-N 3Å; D27-D29 WeakPolarHBondContact OD1-CB 3.41Å; D27-D29 PolarHBondContact OD1-N 3.46Å; D27-I30 WeakPolarHBondContact O-CG2 3.4Å; D27-I30 PolarHBondContact O-N 3.22Å; D27-G117 WeakPolarHBondContact OD2-CA 3.4Å; D27-S118 WeakPolarHBondContact OD2-CB 3.45Å; D27-S118 PolarHBondContact OD2-N 3.12Å; D27-S118 PolarHBondContact OD2-OG 2.88Å
28S77.5Confident82.2Confident112 Ų11264.3 Ų64.378%0.78334%0.335SS*.THydrogen-bonded Turntrans-64.6-20.4-179.551.50000113.6I30S28-I30 VanDerWaalsContact C-N 3.31Å
29D83.5Confident82.5Confident109 Ų10966.7 Ų66.758%0.58334%0.344SS*.THydrogen-bonded Turntrans-87.5-5-174.8-59.5-19.1000111.9D27 I31D27-D29 PolarHBondContact O-N 3Å; D27-D29 WeakPolarHBondContact OD1-CB 3.41Å; D27-D29 PolarHBondContact OD1-N 3.46Å; D29-I31 PolarHBondContact O-N 3.4Å
30I88.4Confident83.2Confident13 Ų1368 Ų687%0.06735%0.35CS..  trans-71.3130.7172.6-154.6163.6000110.5I25 D27 S28 W114 C121 L189I25-I30 HydrophobicContact CB-CG2 4.2Å; I25-I30 HydrophobicContact CD1-CD1 4.46Å; I25-I30 HydrophobicContact CD1-CG2 4.09Å; I25-I30 HydrophobicContact CG2-CB 4.18Å; I25-I30 HydrophobicContact CG2-CD1 4.13Å; I25-I30 HydrophobicContact CG2-CG2 3.48Å; I25-I30 VanDerWaalsContact CG2-CG2 3.48Å; D27-I30 WeakPolarHBondContact O-CG2 3.4Å; D27-I30 PolarHBondContact O-N 3.22Å; S28-I30 VanDerWaalsContact C-N 3.31Å; I30-W114 HydrophobicContact CD1-CB 4.44Å; I30-W114 VanDerWaalsContact CD1-CD1 3.4Å; I30-W114 HydrophobicContact CD1-CG 4.19Å; I30-C121 HydrophobicContact CD1-CB 4.5Å; I30-L189 HydrophobicContact CD1-CD1 3.67Å; I30-L189 HydrophobicContact CD1-CD2 4.12Å; I30-L189 HydrophobicContact CD1-CG 3.98Å; I30-L189 HydrophobicContact CG1-CD1 3.82Å; I30-L189 HydrophobicContact CG1-CG 4.04Å
31I90.3Very high83.8Confident69 Ų6964.5 Ų64.535%0.35433%0.333SS..  trans-100.4104.4-175.5-52.7178000109.3D29 L33 R186 V188 L189D29-I31 PolarHBondContact O-N 3.4Å; I31-L33 HydrophobicContact CG2-CD2 4.4Å; I31-R186 HydrophobicContact CD1-CB 4.48Å; I31-V188 HydrophobicContact CB-CB 4.4Å; I31-V188 HydrophobicContact CB-CG1 3.93Å; I31-V188 HydrophobicContact CG2-CB 4.33Å; I31-V188 HydrophobicContact CG2-CG1 3.64Å; I31-L189 PolarHBondContact O-N 3.17Å
32M92.3Very high84.3Confident12 Ų1265.4 Ų65.46%0.05934%0.339CS..BIsolated β-bridgetrans-98.7115.8163.6179.4-178.1-6300108.7F18 I25 I37 L189 Q193F18-M32 HydrophobicContact CB-CE 4.38Å; F18-M32 HydrophobicContact CB-SD 3.93Å; I25-M32 HydrophobicContact CD1-CE 4.42Å; M32-I37 HydrophobicContact CG-CG1 4.33Å; M32-I37 HydrophobicContact SD-CG1 4.14Å; M32-L189 HydrophobicContact CB-CD1 4.36Å; M32-L189 HydrophobicContact CE-CD1 4.32Å; M32-Q193 HydrophobicContact CE-CB 4.3Å; M32-Q193 HydrophobicContact CE-CG 3.99Å
33L92.8Very high85.1Confident14 Ų1462.9 Ų62.97%0.07333%0.33CS..  trans-65.3142.2-178.8-64170.7000112I31 H35 W36 V188 D199 I201I31-L33 HydrophobicContact CG2-CD2 4.4Å; L33-H35 PolarHBondContact O-N 2.91Å; L33-H35 VanDerWaalsContact O-N 3.09Å; L33-W36 PolarHBondContact O-N 2.91Å; L33-V188 HydrophobicContact CD1-CB 4.43Å; L33-V188 HydrophobicContact CD1-CG2 3.82Å; L33-V188 HydrophobicContact CD2-CG1 4.17Å; L33-V188 HydrophobicContact CG-CB 4.22Å; L33-V188 HydrophobicContact CG-CG1 4.31Å; L33-V188 HydrophobicContact CG-CG2 4.16Å; L33-D199 WeakPolarHBondContact CD2-OD2 3.21Å; L33-I201 HydrophobicContact CD1-CB 3.66Å; L33-I201 HydrophobicContact CD1-CG1 3.79Å; L33-I201 HydrophobicContact CD1-CG2 4.23Å
34N91.1Very high86.1Confident135 Ų13558.1 Ų58.172%0.72231%0.306SS*.Hα-helixtrans-54.8-31.3177.7-73.3-19.8000113.1W36 I37N34-W36 PolarHBondContact O-N 3.32Å; N34-I37 PolarHBondContact O-N 3.43Å; N34-I37 WeakPolarHBondContact OD1-CD1 3.45Å
35H93Very high87.2Confident25 Ų2559.8 Ų59.812%0.11631%0.314CS..Hα-helixtrans-54.2-37.4174.617871.5000112.8L33 K38 Y39 I201 S300 L303L33-H35 PolarHBondContact O-N 2.91Å; L33-H35 VanDerWaalsContact O-N 3.09Å; H35-K38 VanDerWaalsContact O-CE 3.29Å; H35-K38 WeakPolarHBondContact O-CE 3.36Å; H35-K38 WeakPolarHBondContact O-CG 3.33Å; H35-Y39 WeakPolarHBondContact O-CD2 3.33Å; H35-Y39 VanDerWaalsContact O-CE2 3.29Å; H35-Y39 WeakPolarHBondContact O-CE2 3.25Å; H35-I201 HydrophobicContact CB-CG2 3.77Å; H35-S300 PolarHBondContact CE1-O 3.03Å; H35-L303 PolarHBondContact NE2-O 3.13Å
36W92.9Very high88.3Confident1 Ų164.5 Ų64.50%0.00433%0.332CS..Hα-helixtrans-81.6-28.9-177.5-57.7127.1000113.2F18 L33 N34 K38 Y39 L189 I201 L303 P305 A308F18-W36 WeakPolarHBondContact CD2-O 3.27Å; L33-W36 PolarHBondContact O-N 2.91Å; N34-W36 PolarHBondContact O-N 3.32Å; W36-K38 PolarHBondContact O-N 3.5Å; W36-K38 VanDerWaalsContact O-N 3.08Å; W36-Y39 HydrophobicContact CE3-CD2 4.24Å; W36-Y39 HydrophobicContact CE3-CE2 4.31Å; W36-Y39 PolarHBondContact O-N 2.93Å; W36-L189 PolarHBondContact NE1-O 2.86Å; W36-I201 HydrophobicContact CH2-CD1 4.49Å; W36-I201 HydrophobicContact CZ2-CD1 4.09Å; W36-I201 HydrophobicContact CZ2-CG1 4.27Å; W36-L303 HydrophobicContact CH2-CB 4.39Å; W36-P305 HydrophobicContact CE3-CG 4.26Å; W36-P305 HydrophobicContact CZ3-CG 4.41Å; W36-A308 HydrophobicContact CH2-CB 3.73Å; W36-A308 HydrophobicContact CZ2-CB 4.33Å
37I87.5Confident89.5Confident43 Ų4355.9 Ų55.922%0.22129%0.291CS..Hα-helixtrans-57.1-32-172.5-62-179.3000112.7M32 N34 Y39M32-I37 HydrophobicContact CG-CG1 4.33Å; M32-I37 HydrophobicContact SD-CG1 4.14Å; N34-I37 PolarHBondContact O-N 3.43Å; N34-I37 WeakPolarHBondContact OD1-CD1 3.45Å; I37-Y39 VanDerWaalsContact C-N 3.26Å; I37-Y39 PolarHBondContact O-N 3.43Å
38K87Confident90.3Very high133 Ų13358.5 Ų58.558%0.57830%0.299SS*.THydrogen-bonded Turntrans-71.4-13.1-179.869.2-173.6176.3-176.70114.7H35 W36H35-K38 VanDerWaalsContact O-CE 3.29Å; H35-K38 WeakPolarHBondContact O-CE 3.36Å; H35-K38 WeakPolarHBondContact O-CG 3.33Å; W36-K38 PolarHBondContact O-N 3.5Å; W36-K38 VanDerWaalsContact O-N 3.08Å
39Y91.4Very high91.2Very high49 Ų4958 Ų5819%0.19229%0.287CS..SBendtrans-94.4151-177.7-63.7-84.6000112.2F18 H35 W36 I37 L303 T304 P305F18-Y39 WeakPolarHBondContact CD2-O 3.28Å; F18-Y39 PolarHBondContact N-O 3.07Å; F18-Y39 VanDerWaalsContact N-O 3.16Å; H35-Y39 WeakPolarHBondContact O-CD2 3.33Å; H35-Y39 VanDerWaalsContact O-CE2 3.29Å; H35-Y39 WeakPolarHBondContact O-CE2 3.25Å; W36-Y39 HydrophobicContact CE3-CD2 4.24Å; W36-Y39 HydrophobicContact CE3-CE2 4.31Å; W36-Y39 PolarHBondContact O-N 2.93Å; I37-Y39 VanDerWaalsContact C-N 3.26Å; I37-Y39 PolarHBondContact O-N 3.43Å; Y39-L303 PolarHBondContact OH-O 3.31Å; Y39-T304 HydrophobicContact CE1-CG2 4.29Å; Y39-P305 HydrophobicContact CD1-CG 4.07Å; Y39-P305 HydrophobicContact CD2-CG 4.04Å; Y39-P305 HydrophobicContact CG-CG 3.67Å
40T90.1Very high91.7Very high83 Ų8353.1 Ų53.151%0.50926%0.261SS..BIsolated β-bridgetrans-77.2153.816755.10000110.4T17T17-T40 HydrophobicContact CG2-CG2 4.33Å
41Q88.7Confident92.1Very high13 Ų1352.5 Ų52.56%0.06126%0.258CS..PPolyproline II helixtrans-59.4145.7167.1-74-175.651.100110.2R16 F18 I21R16-Q41 HydrophobicContact CB-CG 4.36Å; R16-Q41 WeakPolarHBondContact O-CB 3.36Å; R16-Q41 PolarHBondContact O-N 3.2Å; F18-Q41 HydrophobicContact CD1-CG 3.85Å; F18-Q41 HydrophobicContact CE1-CB 4.45Å; F18-Q41 HydrophobicContact CE1-CG 3.74Å; I21-Q41 HydrophobicContact CD1-CG 3.68Å; I21-Q41 HydrophobicContact CG1-CG 4.19Å
42P89.3Confident92.4Very high20 Ų2053.5 Ų53.513%0.1326%0.263CS..PPolyproline II helixtrans-66.2159.7168.733.2-38.2000110.1Y46 Y192P42-Y46 HydrophobicContact CB-CD2 4.25Å; P42-Y192 HydrophobicContact CB-CD1 4.35Å; P42-Y192 HydrophobicContact CB-CD2 4.48Å; P42-Y192 HydrophobicContact CB-CE1 3.92Å; P42-Y192 HydrophobicContact CB-CE2 4.06Å; P42-Y192 HydrophobicContact CG-CD1 3.71Å; P42-Y192 HydrophobicContact CG-CD2 3.68Å; P42-Y192 HydrophobicContact CG-CE1 3.79Å; P42-Y192 HydrophobicContact CG-CE2 3.76Å; P42-Y192 HydrophobicContact CG-CG 3.66Å
43D90.1Very high92.5Very high54 Ų5456 Ų5629%0.28927%0.274SS..PPolyproline II helixtrans-51133.4172.5-172.1-60000110.5Y14 I45 Y46Y14-D43 HydrophobicContact CE2-CB 4.4Å; Y14-D43 WeakPolarHBondContact CE2-OD2 3.45Å; D43-I45 HydrophobicContact CB-CG2 4.13Å; D43-I45 PolarHBondContact O-N 2.9Å; D43-I45 WeakPolarHBondContact OD1-CB 3.34Å; D43-I45 VanDerWaalsContact OD1-CG2 3.22Å; D43-I45 WeakPolarHBondContact OD1-CG2 3.41Å; D43-I45 PolarHBondContact OD1-N 2.84Å; D43-Y46 HydrophobicContact CB-CD2 3.66Å; D43-Y46 HydrophobicContact CB-CE2 3.8Å; D43-Y46 WeakPolarHBondContact O-CB 3.29Å; D43-Y46 PolarHBondContact O-N 3.35Å
44P91.2Very high92.6Very high27 Ų2755.4 Ų55.418%0.17527%0.27CS..Hα-helixtrans-39.6-38.5173.4-37.740.4000115.5Y46 N47 Y48 Q112P44-Y46 VanDerWaalsContact C-N 3.27Å; P44-Y46 PolarHBondContact O-N 2.78Å; P44-N47 WeakPolarHBondContact O-CB 3.23Å; P44-N47 PolarHBondContact O-N 3.39Å; P44-N47 VanDerWaalsContact O-N 3.14Å; P44-Y48 HydrophobicContact CB-CE2 3.95Å; P44-Y48 WeakPolarHBondContact O-CD2 3.32Å; P44-Y48 VanDerWaalsContact O-CG 3.3Å; P44-Y48 PolarHBondContact O-N 3.26Å; P44-Q112 VanDerWaalsContact CB-NE2 3.27Å
45I93.8Very high92.9Very high96 Ų9649.7 Ų49.749%0.49224%0.242SC..Hα-helixtrans-59.2-38-179-160.7168.6000112.1D43 Y48 L49D43-I45 HydrophobicContact CB-CG2 4.13Å; D43-I45 PolarHBondContact O-N 2.9Å; D43-I45 WeakPolarHBondContact OD1-CB 3.34Å; D43-I45 VanDerWaalsContact OD1-CG2 3.22Å; D43-I45 WeakPolarHBondContact OD1-CG2 3.41Å; D43-I45 PolarHBondContact OD1-N 2.84Å; I45-Y48 PolarHBondContact O-N 3.4Å; I45-L49 HydrophobicContact CG1-CD1 4.46Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.27Å; I45-L49 PolarHBondContact O-N 2.79Å
46Y94.5Very high93Very high119 Ų11953.9 Ų53.947%0.46727%0.265SS..Hα-helixtrans-65.2-44.9177.9-64.9-66.8000110.6P42 D43 P44 Y48 L49 V50P42-Y46 HydrophobicContact CB-CD2 4.25Å; D43-Y46 HydrophobicContact CB-CD2 3.66Å; D43-Y46 HydrophobicContact CB-CE2 3.8Å; D43-Y46 WeakPolarHBondContact O-CB 3.29Å; D43-Y46 PolarHBondContact O-N 3.35Å; P44-Y46 VanDerWaalsContact C-N 3.27Å; P44-Y46 PolarHBondContact O-N 2.78Å; Y46-Y48 VanDerWaalsContact C-N 3.31Å; Y46-Y48 PolarHBondContact O-N 3.44Å; Y46-L49 PolarHBondContact O-N 3.42Å; Y46-V50 VanDerWaalsContact O-CG2 3.26Å; Y46-V50 WeakPolarHBondContact O-CG2 3.18Å; Y46-V50 PolarHBondContact O-N 3.3Å
47N94.2Very high93.1Very high1 Ų154.8 Ų54.81%0.00527%0.269CS..Hα-helixtrans-59.3-41.8175.9-84.3-61.2000111.9P44 V50 A51 A109 Q112P44-N47 WeakPolarHBondContact O-CB 3.23Å; P44-N47 PolarHBondContact O-N 3.39Å; P44-N47 VanDerWaalsContact O-N 3.14Å; N47-V50 PolarHBondContact O-N 2.94Å; N47-A51 WeakPolarHBondContact O-CB 3.32Å; N47-A51 PolarHBondContact O-N 3.16Å; N47-A109 WeakPolarHBondContact CB-O 3.38Å; N47-Q112 HydrophobicContact CB-CG 4.05Å
48Y95.9Very high93.5Very high100 Ų10052.8 Ų52.839%0.39226%0.26SS..Hα-helixtrans-66.6-40.9177.4-58.4-27.9000112.8P44 I45 Y46 A51 I52 F110 Q112P44-Y48 HydrophobicContact CB-CE2 3.95Å; P44-Y48 WeakPolarHBondContact O-CD2 3.32Å; P44-Y48 VanDerWaalsContact O-CG 3.3Å; P44-Y48 PolarHBondContact O-N 3.26Å; I45-Y48 PolarHBondContact O-N 3.4Å; Y46-Y48 VanDerWaalsContact C-N 3.31Å; Y46-Y48 PolarHBondContact O-N 3.44Å; Y48-A51 WeakPolarHBondContact O-CB 3.32Å; Y48-A51 PolarHBondContact O-N 3.2Å; Y48-I52 WeakPolarHBondContact O-CG1 3.35Å; Y48-I52 PolarHBondContact O-N 3.15Å; Y48-F110 AromaticContact CD1-CD1 3.83Å; Y48-F110 HydrophobicContact CD1-CD1 3.83Å; Y48-F110 HydrophobicContact CD1-CE1 4.39Å; Y48-F110 HydrophobicContact CE1-CD1 4.4Å; Y48-Q112 PolarHBondContact OH-NE2 3.4Å
49L96.4Very high93.9Very high101 Ų10150.4 Ų50.453%0.52925%0.253SS..Hα-helixtrans-62.2-43.5174.3-70172.4000111.4I45 Y46 A51 I52 F53I45-L49 HydrophobicContact CG1-CD1 4.46Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.27Å; I45-L49 PolarHBondContact O-N 2.79Å; Y46-L49 PolarHBondContact O-N 3.42Å; L49-A51 VanDerWaalsContact C-N 3.35Å; L49-I52 PolarHBondContact O-N 3.4Å; L49-F53 VanDerWaalsContact O-CB 3.29Å; L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 PolarHBondContact O-N 2.8Å
50V95.1Very high94.1Very high8 Ų852.5 Ų52.55%0.04826%0.263CS..Hα-helixtrans-60.8-44.3174.11710000111Y46 N47 I52 F53 V54 A109 Y192 I313Y46-V50 VanDerWaalsContact O-CG2 3.26Å; Y46-V50 WeakPolarHBondContact O-CG2 3.18Å; Y46-V50 PolarHBondContact O-N 3.3Å; N47-V50 PolarHBondContact O-N 2.94Å; V50-I52 PolarHBondContact O-N 3.46Å; V50-F53 PolarHBondContact O-N 3.47Å; V50-V54 HydrophobicContact CG1-CG2 4.11Å; V50-V54 WeakPolarHBondContact O-CB 3.38Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.27Å; V50-A109 HydrophobicContact CG1-CB 4.36Å; V50-Y192 HydrophobicContact CG2-CE2 4.49Å; V50-I313 HydrophobicContact CB-CD1 4.07Å; V50-I313 HydrophobicContact CG1-CD1 3.5Å; V50-I313 HydrophobicContact CG1-CG1 4.05Å; V50-I313 HydrophobicContact CG2-CD1 3.37Å
51A95.9Very high94.4Very high0 Ų048.6 Ų48.60%024%0.239CC..Hα-helixtrans-59.1-49.6179.400000111.7N47 Y48 L49 A55 T106 A109 F110N47-A51 WeakPolarHBondContact O-CB 3.32Å; N47-A51 PolarHBondContact O-N 3.16Å; Y48-A51 WeakPolarHBondContact O-CB 3.32Å; Y48-A51 PolarHBondContact O-N 3.2Å; L49-A51 VanDerWaalsContact C-N 3.35Å; A51-A55 VanDerWaalsContact O-CB 3.24Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 3.29Å; A51-T106 HydrophobicContact CB-CG2 4.44Å; A51-A109 HydrophobicContact CB-CB 3.65Å; A51-F110 HydrophobicContact CB-CD1 3.83Å; A51-F110 HydrophobicContact CB-CD2 3.68Å; A51-F110 HydrophobicContact CB-CE1 3.73Å; A51-F110 HydrophobicContact CB-CE2 3.6Å; A51-F110 HydrophobicContact CB-CG 3.79Å; A51-F110 HydrophobicContact CB-CZ 3.61Å
52I96.4Very high94.8Very high90 Ų9049.4 Ų49.446%0.46225%0.245SC..Hα-helixtrans-61.5-48.7177.7-67164.7000110.5Y48 L49 V50 A55 L56 F110Y48-I52 WeakPolarHBondContact O-CG1 3.35Å; Y48-I52 PolarHBondContact O-N 3.15Å; L49-I52 PolarHBondContact O-N 3.4Å; V50-I52 PolarHBondContact O-N 3.46Å; I52-A55 PolarHBondContact O-N 3.3Å; I52-L56 HydrophobicContact CG2-CD1 4.13Å; I52-L56 WeakPolarHBondContact O-CG 3.18Å; I52-L56 PolarHBondContact O-N 2.94Å; I52-F110 HydrophobicContact CG1-CZ 4.19Å
53F95.7Very high95.2Very high64 Ų6453.5 Ų53.528%0.28126%0.264SS..Hα-helixtrans-59.4-51.7-179.2178.4-97.8000111.9L49 V50 A55 L56 I57 I313 M317L49-F53 VanDerWaalsContact O-CB 3.29Å; L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 PolarHBondContact O-N 2.8Å; V50-F53 PolarHBondContact O-N 3.47Å; F53-A55 VanDerWaalsContact C-N 3.3Å; F53-A55 PolarHBondContact O-N 2.95Å; F53-L56 PolarHBondContact O-N 3.48Å; F53-I57 HydrophobicContact CD1-CG1 4.27Å; F53-I57 HydrophobicContact CE1-CG1 3.88Å; F53-I57 HydrophobicContact CE2-CD1 4.35Å; F53-I57 HydrophobicContact CE2-CG1 4.17Å; F53-I57 HydrophobicContact CZ-CD1 4.17Å; F53-I57 HydrophobicContact CZ-CG1 3.84Å; F53-I57 WeakPolarHBondContact O-CG1 3.45Å; F53-I57 PolarHBondContact O-N 3.45Å; F53-I313 HydrophobicContact CD1-CG2 3.39Å; F53-I313 HydrophobicContact CE1-CG2 3.46Å; F53-I313 VanDerWaalsContact CE1-CG2 3.46Å; F53-M317 HydrophobicContact CE1-CG 4.37Å; F53-M317 HydrophobicContact CZ-CG 3.75Å; F53-M317 HydrophobicContact CZ-SD 3.84Å
54V95.2Very high95.4Very high1 Ų151.9 Ų51.91%0.00626%0.257CS..Hα-helixtrans-67.6-31.2-178.6176.30000111.7V50 G58 I100 K105 I313 K316V50-V54 HydrophobicContact CG1-CG2 4.11Å; V50-V54 WeakPolarHBondContact O-CB 3.38Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.27Å; V54-G58 PolarHBondContact O-N 2.88Å; V54-I100 WeakPolarHBondContact CG1-O 3.03Å; V54-K105 HydrophobicContact CB-CG 4.33Å; V54-K105 HydrophobicContact CG1-CB 4.05Å; V54-K105 HydrophobicContact CG1-CG 3.73Å; V54-K105 HydrophobicContact CG2-CG 4.34Å; V54-I313 HydrophobicContact CG2-CG2 4.02Å; V54-K316 HydrophobicContact CG1-CD 4.19Å; V54-K316 HydrophobicContact CG2-CD 4.18Å
55A96Very high95.7Very high16 Ų1650.6 Ų50.613%0.13225%0.248CC..Hα-helixtrans-62.9-48.1172.200000111.6A51 I52 F53 G58 I59 T106A51-A55 VanDerWaalsContact O-CB 3.24Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 3.29Å; I52-A55 PolarHBondContact O-N 3.3Å; F53-A55 VanDerWaalsContact C-N 3.3Å; F53-A55 PolarHBondContact O-N 2.95Å; A55-G58 PolarHBondContact O-N 3.45Å; A55-I59 WeakPolarHBondContact O-CB 3.3Å; A55-I59 VanDerWaalsContact O-CG1 3.23Å; A55-I59 WeakPolarHBondContact O-CG1 3.35Å; A55-I59 PolarHBondContact O-N 2.94Å; A55-T106 WeakPolarHBondContact CA-OG1 3.47Å; A55-T106 HydrophobicContact CB-CG2 3.78Å; A55-T106 PolarHBondContact N-OG1 3.25Å
56L95.6Very high95.8Very high113 Ų11350 Ų5059%0.59225%0.246SC*.Hα-helixtrans-61-48.2178.5-69.4173.2000111.5I52 F53 F60I52-L56 HydrophobicContact CG2-CD1 4.13Å; I52-L56 WeakPolarHBondContact O-CG 3.18Å; I52-L56 PolarHBondContact O-N 2.94Å; F53-L56 PolarHBondContact O-N 3.48Å; L56-F60 WeakPolarHBondContact O-CB 3.47Å; L56-F60 PolarHBondContact O-N 3.42Å
57I95.1Very high95.9Very high19 Ų1947.5 Ų47.510%0.09724%0.24CC..Hα-helixtrans-62.8-44.5178.1-63-61.5000111F53 G61 K316 M317 I320F53-I57 HydrophobicContact CD1-CG1 4.27Å; F53-I57 HydrophobicContact CE1-CG1 3.88Å; F53-I57 HydrophobicContact CE2-CD1 4.35Å; F53-I57 HydrophobicContact CE2-CG1 4.17Å; F53-I57 HydrophobicContact CZ-CD1 4.17Å; F53-I57 HydrophobicContact CZ-CG1 3.84Å; F53-I57 WeakPolarHBondContact O-CG1 3.45Å; F53-I57 PolarHBondContact O-N 3.45Å; I57-G61 WeakPolarHBondContact O-CA 3.32Å; I57-G61 PolarHBondContact O-N 3.24Å; I57-K316 HydrophobicContact CG2-CB 4.37Å; I57-K316 WeakPolarHBondContact CG2-O 3.48Å; I57-M317 HydrophobicContact CD1-CG 4.27Å; I57-I320 HydrophobicContact CD1-CD1 3.56Å; I57-I320 HydrophobicContact CD1-CG1 4.34Å; I57-I320 HydrophobicContact CG2-CG2 3.98Å
58G95.5Very high96Very high2 Ų247.4 Ų47.42%0.02124%0.24CC..Hα-helixtrans-61.7-50.8179.100000113.1V54 A55 T62V54-G58 PolarHBondContact O-N 2.88Å; A55-G58 PolarHBondContact O-N 3.45Å; G58-T62 VanDerWaalsContact O-CB 3.25Å; G58-T62 WeakPolarHBondContact O-CB 3.34Å; G58-T62 PolarHBondContact O-N 2.92Å; G58-T62 PolarHBondContact O-OG1 2.87Å
59I96Very high96Very high83 Ų8343.8 Ų43.843%0.42623%0.226SC..Hα-helixtrans-63.7-49.6179.3-67166.7000110.2A55 T62 I63 F102A55-I59 WeakPolarHBondContact O-CB 3.3Å; A55-I59 VanDerWaalsContact O-CG1 3.23Å; A55-I59 WeakPolarHBondContact O-CG1 3.35Å; A55-I59 PolarHBondContact O-N 2.94Å; I59-T62 PolarHBondContact O-N 3.46Å; I59-I63 HydrophobicContact CG2-CD1 3.74Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.4Å; I59-F102 HydrophobicContact CG1-CB 4.39Å
60F96Very high95.9Very high93 Ų9346 Ų4641%0.40823%0.232SC..Hα-helixtrans-63.3-45.5-179.2-175.6-98000111.9L56 T62 I63 T64 I320 I324L56-F60 WeakPolarHBondContact O-CB 3.47Å; L56-F60 PolarHBondContact O-N 3.42Å; F60-T62 PolarHBondContact O-N 2.92Å; F60-I63 PolarHBondContact O-N 3.02Å; F60-T64 HydrophobicContact CD1-CG2 4.17Å; F60-T64 HydrophobicContact CD2-CG2 4.08Å; F60-T64 HydrophobicContact CE1-CG2 3.84Å; F60-T64 HydrophobicContact CE2-CG2 3.75Å; F60-T64 HydrophobicContact CG-CG2 4.29Å; F60-T64 HydrophobicContact CZ-CG2 3.63Å; F60-T64 WeakPolarHBondContact O-CB 3.48Å; F60-T64 VanDerWaalsContact O-CG2 3.32Å; F60-T64 WeakPolarHBondContact O-CG2 3.41Å; F60-T64 PolarHBondContact O-N 2.89Å; F60-T64 PolarHBondContact O-OG1 2.9Å; F60-I320 HydrophobicContact CD1-CB 3.86Å; F60-I320 HydrophobicContact CD1-CD1 4.39Å; F60-I320 HydrophobicContact CD1-CG2 3.78Å; F60-I320 HydrophobicContact CE1-CB 4.11Å; F60-I324 HydrophobicContact CE1-CD1 4.01Å; F60-I324 HydrophobicContact CE1-CG1 4.08Å; F60-I324 HydrophobicContact CZ-CD1 4.43Å; F60-I324 HydrophobicContact CZ-CG1 4.27Å
61G96.4Very high95.7Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-62.2-41.2177.400000112.6I57 N65I57-G61 WeakPolarHBondContact O-CA 3.32Å; I57-G61 PolarHBondContact O-N 3.24Å; G61-N65 VanDerWaalsContact O-CB 3.26Å; G61-N65 WeakPolarHBondContact O-CB 2.86Å; G61-N65 PolarHBondContact O-N 3.17Å; G61-N65 PolarHBondContact O-ND2 2.91Å
62T96.8Very high95.5Very high30 Ų3046.5 Ų46.518%0.18423%0.234CC..Hα-helixtrans-62.2-52.6176.7-58.90000111.1G58 I59 F60 L66 F94G58-T62 VanDerWaalsContact O-CB 3.25Å; G58-T62 WeakPolarHBondContact O-CB 3.34Å; G58-T62 PolarHBondContact O-N 2.92Å; G58-T62 PolarHBondContact O-OG1 2.87Å; I59-T62 PolarHBondContact O-N 3.46Å; F60-T62 PolarHBondContact O-N 2.92Å; T62-L66 HydrophobicContact CG2-CD1 4.26Å; T62-L66 WeakPolarHBondContact O-CB 3.28Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.43Å; T62-L66 PolarHBondContact O-N 3.44Å; T62-L66 VanDerWaalsContact O-N 3.07Å; T62-F94 HydrophobicContact CG2-CD2 3.84Å; T62-F94 HydrophobicContact CG2-CE2 3.56Å
63I96.5Very high95.3Very high106 Ų10647.7 Ų47.754%0.54424%0.241SC..Hα-helixtrans-63.5-48-177.6-67.5167.2000111.1I59 F60 L66 L67I59-I63 HydrophobicContact CG2-CD1 3.74Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.4Å; F60-I63 PolarHBondContact O-N 3.02Å; I63-L66 PolarHBondContact O-N 3.21Å; I63-L67 PolarHBondContact O-N 3.5Å
64T96.1Very high94.9Very high21 Ų2146.6 Ų46.613%0.12924%0.24CC..Hα-helixtrans-71.7-35.8-173.555.60000112.7F60 L67 V68F60-T64 HydrophobicContact CD1-CG2 4.17Å; F60-T64 HydrophobicContact CD2-CG2 4.08Å; F60-T64 HydrophobicContact CE1-CG2 3.84Å; F60-T64 HydrophobicContact CE2-CG2 3.75Å; F60-T64 HydrophobicContact CG-CG2 4.29Å; F60-T64 HydrophobicContact CZ-CG2 3.63Å; F60-T64 WeakPolarHBondContact O-CB 3.48Å; F60-T64 VanDerWaalsContact O-CG2 3.32Å; F60-T64 WeakPolarHBondContact O-CG2 3.41Å; F60-T64 PolarHBondContact O-N 2.89Å; F60-T64 PolarHBondContact O-OG1 2.9Å; T64-L67 WeakPolarHBondContact O-CB 3.18Å; T64-L67 PolarHBondContact O-N 3.5Å; T64-V68 WeakPolarHBondContact O-CG2 3.35Å; T64-V68 PolarHBondContact O-N 2.83Å
65N96.9Very high94.1Very high0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-72.4-36.5174.4-74.9-66.2000112.6G61 L67 V68 I69 A90 D93 F94 A319 P323G61-N65 VanDerWaalsContact O-CB 3.26Å; G61-N65 WeakPolarHBondContact O-CB 2.86Å; G61-N65 PolarHBondContact O-N 3.17Å; G61-N65 PolarHBondContact O-ND2 2.91Å; N65-L67 VanDerWaalsContact C-N 3.26Å; N65-L67 PolarHBondContact O-N 3.41Å; N65-V68 PolarHBondContact O-N 3.26Å; N65-V68 VanDerWaalsContact O-N 3.15Å; N65-I69 VanDerWaalsContact O-CG1 3.31Å; N65-I69 WeakPolarHBondContact O-CG1 3.3Å; N65-I69 PolarHBondContact O-N 3.36Å; N65-A90 HydrophobicContact CB-CB 4.49Å; N65-A90 WeakPolarHBondContact CB-O 3.08Å; N65-D93 WeakPolarHBondContact ND2-CB 3.37Å; N65-F94 HydrophobicContact CB-CB 3.89Å; N65-A319 PolarHBondContact ND2-O 3.22Å; N65-P323 WeakPolarHBondContact OD1-CG 3.19Å
66L96.5Very high93.2Very high83 Ų8361.7 Ų61.744%0.43532%0.317SS..Hα-helixtrans-57.5-41.2169.2-78.4174.1000111.8T62 I63 I69 F70 F94T62-L66 HydrophobicContact CG2-CD1 4.26Å; T62-L66 WeakPolarHBondContact O-CB 3.28Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.43Å; T62-L66 PolarHBondContact O-N 3.44Å; T62-L66 VanDerWaalsContact O-N 3.07Å; I63-L66 PolarHBondContact O-N 3.21Å; L66-I69 PolarHBondContact O-N 2.73Å; L66-F70 WeakPolarHBondContact O-CB 3.11Å; L66-F70 PolarHBondContact O-N 3.21Å; L66-F94 HydrophobicContact CD1-CD2 4.23Å; L66-F94 HydrophobicContact CD1-CE2 3.75Å; L66-F94 HydrophobicContact CD2-CD2 3.82Å; L66-F94 HydrophobicContact CD2-CE2 3.6Å; L66-F94 HydrophobicContact CD2-CG 4.44Å; L66-F94 HydrophobicContact CD2-CZ 4.07Å; L66-F94 HydrophobicContact CG-CD2 3.6Å; L66-F94 HydrophobicContact CG-CE2 3.55Å; L66-F94 HydrophobicContact CG-CZ 4.48Å
67L95.6Very high92.4Very high66 Ų6657.6 Ų57.635%0.34630%0.297SS..Hα-helixtrans-63.9-41.5175.8-17859.8000112I63 T64 N65 F70 V71 F333 L337I63-L67 PolarHBondContact O-N 3.5Å; T64-L67 WeakPolarHBondContact O-CB 3.18Å; T64-L67 PolarHBondContact O-N 3.5Å; N65-L67 VanDerWaalsContact C-N 3.26Å; N65-L67 PolarHBondContact O-N 3.41Å; L67-F70 PolarHBondContact O-N 3.49Å; L67-V71 HydrophobicContact CD1-CG2 4.17Å; L67-V71 WeakPolarHBondContact O-CB 3.34Å; L67-V71 VanDerWaalsContact O-CG2 3.24Å; L67-V71 WeakPolarHBondContact O-CG2 3.31Å; L67-V71 PolarHBondContact O-N 2.87Å; L67-F333 HydrophobicContact CD2-CZ 4.29Å; L67-F333 HydrophobicContact CG-CE2 4.17Å; L67-F333 HydrophobicContact CG-CZ 4.27Å; L67-L337 HydrophobicContact CD2-CD2 3.63Å
68V95.4Very high91.6Very high0 Ų059.9 Ų59.90%032%0.315CS..Hα-helixtrans-59.5-50173.3174.10000110.4T64 N65 F70 V71 F72 I86 A90 P323 Y326 F333T64-V68 WeakPolarHBondContact O-CG2 3.35Å; T64-V68 PolarHBondContact O-N 2.83Å; N65-V68 PolarHBondContact O-N 3.26Å; N65-V68 VanDerWaalsContact O-N 3.15Å; V68-F70 PolarHBondContact O-N 3.43Å; V68-V71 PolarHBondContact O-N 2.89Å; V68-F72 HydrophobicContact CG1-CD2 3.91Å; V68-F72 HydrophobicContact CG1-CE2 4.19Å; V68-F72 VanDerWaalsContact O-CD2 3.3Å; V68-F72 WeakPolarHBondContact O-CD2 3.28Å; V68-F72 PolarHBondContact O-N 3.43Å; V68-I86 HydrophobicContact CG1-CG2 4.08Å; V68-A90 HydrophobicContact CB-CB 3.96Å; V68-A90 HydrophobicContact CG1-CB 3.64Å; V68-P323 HydrophobicContact CG2-CB 3.92Å; V68-P323 HydrophobicContact CG2-CG 4.01Å; V68-Y326 HydrophobicContact CG1-CD2 4.14Å; V68-Y326 HydrophobicContact CG1-CE2 4.14Å; V68-Y326 HydrophobicContact CG2-CD2 4Å; V68-F333 HydrophobicContact CB-CE2 4.27Å; V68-F333 HydrophobicContact CG2-CD2 4.33Å; V68-F333 HydrophobicContact CG2-CE1 4.48Å; V68-F333 HydrophobicContact CG2-CE2 3.6Å; V68-F333 HydrophobicContact CG2-CZ 3.68Å
69I95.9Very high91Very high23 Ų2365.9 Ų65.912%0.11835%0.345CS..Hα-helixtrans-55.6-51.8178.1-65.6163.5000110.1N65 L66 V71 F72 L73 A90 I91 F94N65-I69 VanDerWaalsContact O-CG1 3.31Å; N65-I69 WeakPolarHBondContact O-CG1 3.3Å; N65-I69 PolarHBondContact O-N 3.36Å; L66-I69 PolarHBondContact O-N 2.73Å; I69-V71 PolarHBondContact O-N 2.85Å; I69-F72 PolarHBondContact O-N 3.02Å; I69-L73 HydrophobicContact CG2-CD1 3.54Å; I69-L73 HydrophobicContact CG2-CG 4.17Å; I69-L73 WeakPolarHBondContact O-CB 3.5Å; I69-L73 VanDerWaalsContact O-CG 3.3Å; I69-L73 WeakPolarHBondContact O-CG 3.34Å; I69-L73 PolarHBondContact O-N 2.93Å; I69-A90 HydrophobicContact CD1-CB 4.37Å; I69-A90 HydrophobicContact CG1-CB 3.68Å; I69-I91 HydrophobicContact CD1-CG1 3.79Å; I69-I91 HydrophobicContact CG1-CG1 4.14Å; I69-F94 HydrophobicContact CD1-CB 4.33Å
70F94.2Very high90.9Very high148 Ų14862.2 Ų62.265%0.64933%0.327SS*.Hα-helixtrans-56.3-49.1179.4177.8-100.4000112.4L66 L67 V68 F72 L73 T74L66-F70 WeakPolarHBondContact O-CB 3.11Å; L66-F70 PolarHBondContact O-N 3.21Å; L67-F70 PolarHBondContact O-N 3.49Å; V68-F70 PolarHBondContact O-N 3.43Å; F70-F72 VanDerWaalsContact C-N 3.33Å; F70-F72 PolarHBondContact O-N 2.9Å; F70-L73 PolarHBondContact O-N 2.87Å; F70-T74 WeakPolarHBondContact O-CG2 3.4Å; F70-T74 PolarHBondContact O-N 3.05Å
71V92.1Very high90.8Very high7 Ų758.3 Ų58.34%0.04231%0.31CS..Hα-helixtrans-62.2-40.6-179169.90000111.8L67 V68 I69 T74 K332 F333 A336L67-V71 HydrophobicContact CD1-CG2 4.17Å; L67-V71 WeakPolarHBondContact O-CB 3.34Å; L67-V71 VanDerWaalsContact O-CG2 3.24Å; L67-V71 WeakPolarHBondContact O-CG2 3.31Å; L67-V71 PolarHBondContact O-N 2.87Å; V68-V71 PolarHBondContact O-N 2.89Å; I69-V71 PolarHBondContact O-N 2.85Å; V71-T74 PolarHBondContact O-OG1 3.13Å; V71-K332 HydrophobicContact CG1-CG 4.38Å; V71-K332 WeakPolarHBondContact O-CE 3.47Å; V71-K332 PolarHBondContact O-NZ 2.95Å; V71-F333 HydrophobicContact CB-CD2 4.04Å; V71-F333 HydrophobicContact CB-CE2 4.34Å; V71-F333 HydrophobicContact CG1-CD2 3.95Å; V71-F333 HydrophobicContact CG2-CD2 4.11Å; V71-F333 HydrophobicContact CG2-CE2 4.11Å; V71-A336 HydrophobicContact CB-CB 4.3Å; V71-A336 HydrophobicContact CG1-CB 3.66Å; V71-A336 HydrophobicContact CG2-CB 3.58Å
72F91.5Very high90.6Very high11 Ų1160.4 Ų60.45%0.04832%0.32CS..Hα-helixtrans-84.6-14-177.6-78.2-96.2000114V68 I69 F70 S77 I86 I87 F333V68-F72 HydrophobicContact CG1-CD2 3.91Å; V68-F72 HydrophobicContact CG1-CE2 4.19Å; V68-F72 VanDerWaalsContact O-CD2 3.3Å; V68-F72 WeakPolarHBondContact O-CD2 3.28Å; V68-F72 PolarHBondContact O-N 3.43Å; I69-F72 PolarHBondContact O-N 3.02Å; F70-F72 VanDerWaalsContact C-N 3.33Å; F70-F72 PolarHBondContact O-N 2.9Å; F72-S77 VanDerWaalsContact C-OG 3.27Å; F72-S77 VanDerWaalsContact O-CB 3.27Å; F72-S77 WeakPolarHBondContact O-CB 3.26Å; F72-S77 PolarHBondContact O-OG 3.02Å; F72-I86 HydrophobicContact CD1-CB 4.49Å; F72-I86 HydrophobicContact CD1-CG2 4.03Å; F72-I86 HydrophobicContact CD2-CG2 4.05Å; F72-I86 HydrophobicContact CE1-CB 4.44Å; F72-I86 HydrophobicContact CE1-CD1 3.83Å; F72-I86 HydrophobicContact CE1-CG2 3.93Å; F72-I86 HydrophobicContact CE2-CG2 3.94Å; F72-I86 HydrophobicContact CG-CG2 4.09Å; F72-I86 HydrophobicContact CZ-CD1 4.18Å; F72-I86 HydrophobicContact CZ-CG2 3.87Å; F72-I87 HydrophobicContact CB-CD1 3.99Å; F72-I87 HydrophobicContact CB-CG1 3.56Å; F72-F333 HydrophobicContact CE2-CB 4.3Å; F72-F333 HydrophobicContact CE2-CD2 4.17Å
73L91.7Very high90.4Very high116 Ų11659.7 Ų59.761%0.60732%0.316SS*.Hα-helixtrans-84-11.3168.8-72.1176.8000113.9I69 F70 I87I69-L73 HydrophobicContact CG2-CD1 3.54Å; I69-L73 HydrophobicContact CG2-CG 4.17Å; I69-L73 WeakPolarHBondContact O-CB 3.5Å; I69-L73 VanDerWaalsContact O-CG 3.3Å; I69-L73 WeakPolarHBondContact O-CG 3.34Å; I69-L73 PolarHBondContact O-N 2.93Å; F70-L73 PolarHBondContact O-N 2.87Å; L73-I87 HydrophobicContact CD2-CD1 3.98Å; L73-I87 HydrophobicContact CG-CD1 4.48Å
74T87.9Confident90.4Very high41 Ų4155.8 Ų55.825%0.25230%0.3SS..SBendtrans-57.5144.2177.858.40000112.4F70 V71 K76 S77 K332F70-T74 WeakPolarHBondContact O-CG2 3.4Å; F70-T74 PolarHBondContact O-N 3.05Å; V71-T74 PolarHBondContact O-OG1 3.13Å; T74-K76 PolarHBondContact O-N 3.5Å; T74-S77 VanDerWaalsContact O-CB 3.3Å; T74-S77 WeakPolarHBondContact O-CB 3.43Å; T74-S77 PolarHBondContact O-N 3.36Å; T74-S77 PolarHBondContact O-OG 2.95Å; T74-K332 PolarHBondContact OG1-NZ 3.43Å
75P78.7Confident90.5Very high139 Ų13954.8 Ų54.890%0.90329%0.293SS*.THydrogen-bonded Turntrans-56.3-17.4179.5-27.434.4000115S77P75-S77 PolarHBondContact O-N 3.17Å
76K76.9Confident90.4Very high195 Ų19555.2 Ų55.285%0.84830%0.295SS*.THydrogen-bonded Turntrans-76.72.9174.2-59.5-177.2-178.9176.80112.9T74 K332T74-K76 PolarHBondContact O-N 3.5Å; K76-K332 PolarHBondContact O-NZ 3.32Å
77S77.9Confident90.3Very high26 Ų2652.4 Ų52.418%0.18228%0.281CS..SBendtrans-82.3137.7175.6-80.90000110.8F72 T74 P75 I79 K332F72-S77 VanDerWaalsContact C-OG 3.27Å; F72-S77 VanDerWaalsContact O-CB 3.27Å; F72-S77 WeakPolarHBondContact O-CB 3.26Å; F72-S77 PolarHBondContact O-OG 3.02Å; T74-S77 VanDerWaalsContact O-CB 3.3Å; T74-S77 WeakPolarHBondContact O-CB 3.43Å; T74-S77 PolarHBondContact O-N 3.36Å; T74-S77 PolarHBondContact O-OG 2.95Å; P75-S77 PolarHBondContact O-N 3.17Å; S77-I79 PolarHBondContact O-N 3.12Å; S77-K332 PolarHBondContact OG-NZ 2.98Å
78S78.1Confident90.5Very high68 Ų6849.5 Ų49.548%0.47627%0.266SS..  trans-74.1126.9170.158.90000110.3S80 C83S78-S80 PolarHBondContact O-N 3.11Å; S78-S80 PolarHBondContact O-OG 2.84Å; S78-S80 PolarHBondContact OG-OG 3.08Å; S78-C83 WeakPolarHBondContact O-CB 3.47Å
79I84.4Confident90.6Very high128 Ų12849.6 Ų49.666%0.65627%0.266SS*.  trans-62.1109.1167.2-58.6171.7000107.8S77 I162S77-I79 PolarHBondContact O-N 3.12Å; I79-I162 HydrophobicContact CG2-CD1 4.44Å
80S92.5Very high90.7Very high5 Ų548.5 Ų48.54%0.03526%0.261CS..SBendtrans-163.5153.7-177.755.50000110.3S78 Q82 C83 A84 T156S78-S80 PolarHBondContact O-N 3.11Å; S78-S80 PolarHBondContact O-OG 2.84Å; S78-S80 PolarHBondContact OG-OG 3.08Å; S80-Q82 VanDerWaalsContact C-N 3.32Å; S80-Q82 PolarHBondContact O-N 3.22Å; S80-C83 PolarHBondContact O-N 3.44Å; S80-C83 VanDerWaalsContact O-N 3.13Å; S80-C83 WeakPolarHBondContact OG-CB 3.18Å; S80-C83 PolarHBondContact OG-N 2.89Å; S80-A84 PolarHBondContact O-N 2.87Å; S80-A84 VanDerWaalsContact O-N 3.09Å; S80-T156 WeakPolarHBondContact CA-O 3.36Å
81L95.2Very high90.8Very high11 Ų1144.5 Ų44.56%0.05825%0.245CC..Hα-helixtrans-56.6-45.6178.1179.459.8000111.8C83 A84 L85 D145 T156 I162 V165L81-C83 VanDerWaalsContact C-N 3.32Å; L81-C83 PolarHBondContact O-N 3.25Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-A84 VanDerWaalsContact O-N 3.15Å; L81-L85 HydrophobicContact CD1-CD1 3.97Å; L81-L85 HydrophobicContact CD1-CD2 4.36Å; L81-L85 HydrophobicContact CD1-CG 3.92Å; L81-L85 HydrophobicContact CD2-CD1 4.44Å; L81-L85 HydrophobicContact CG-CD1 3.76Å; L81-L85 HydrophobicContact CG-CG 4.18Å; L81-L85 VanDerWaalsContact O-CG 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 3.34Å; L81-D145 HydrophobicContact CD2-CB 4.15Å; L81-D145 HydrophobicContact CG-CB 4.5Å; L81-T156 HydrophobicContact CB-CG2 4.19Å; L81-T156 HydrophobicContact CD2-CG2 4.37Å; L81-T156 PolarHBondContact N-O 2.91Å; L81-I162 HydrophobicContact CB-CG1 4.09Å; L81-I162 HydrophobicContact CD1-CG1 4.27Å; L81-I162 HydrophobicContact CD1-CG2 4.44Å; L81-V165 HydrophobicContact CD1-CB 4.1Å; L81-V165 HydrophobicContact CD1-CG1 3.98Å; L81-V165 HydrophobicContact CD1-CG2 4.44Å
82Q92.3Very high91.1Very high45 Ų4544.1 Ų44.121%0.2124%0.243CC..Hα-helixtrans-53.5-45.7175.1-168.7-17920.900113.4S80 L85 I86 D145 R146S80-Q82 VanDerWaalsContact C-N 3.32Å; S80-Q82 PolarHBondContact O-N 3.22Å; Q82-L85 PolarHBondContact O-N 2.88Å; Q82-I86 HydrophobicContact CG-CD1 4.21Å; Q82-I86 WeakPolarHBondContact O-CG1 3.13Å; Q82-I86 PolarHBondContact O-N 3.33Å; Q82-D145 WeakPolarHBondContact CB-OD2 3.24Å; Q82-R146 VanDerWaalsContact NE2-CZ 3.33Å
83C93.1Very high91.4Very high15 Ų1543.8 Ų43.810%0.10124%0.242CC..Hα-helixtrans-65-43.1179.7-1720000111.2S78 S80 L81 I86 I87S78-C83 WeakPolarHBondContact O-CB 3.47Å; S80-C83 PolarHBondContact O-N 3.44Å; S80-C83 VanDerWaalsContact O-N 3.13Å; S80-C83 WeakPolarHBondContact OG-CB 3.18Å; S80-C83 PolarHBondContact OG-N 2.89Å; L81-C83 VanDerWaalsContact C-N 3.32Å; L81-C83 PolarHBondContact O-N 3.25Å; C83-I86 PolarHBondContact O-N 3.47Å; C83-I87 WeakPolarHBondContact O-CG1 3.36Å; C83-I87 PolarHBondContact O-N 3.01Å; C83-I87 VanDerWaalsContact O-N 3.1Å
84A96Very high91.7Very high24 Ų2441.3 Ų41.320%0.19823%0.226CC..Hα-helixtrans-64.1-40.5177.400000112S80 L81 I87 N88 I162S80-A84 PolarHBondContact O-N 2.87Å; S80-A84 VanDerWaalsContact O-N 3.09Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-A84 VanDerWaalsContact O-N 3.15Å; A84-I87 PolarHBondContact O-N 3.47Å; A84-N88 WeakPolarHBondContact O-CB 3.36Å; A84-N88 PolarHBondContact O-N 2.87Å; A84-I162 HydrophobicContact CB-CG2 3.36Å
85L96.8Very high92.1Very high0 Ų039.8 Ų39.80%022%0.218CC..Hα-helixtrans-68-36.8177.2-67.3171.1000112.5L81 Q82 I87 N88 L89 T138 A141 I142 D145 V165 I166 L169L81-L85 HydrophobicContact CD1-CD1 3.97Å; L81-L85 HydrophobicContact CD1-CD2 4.36Å; L81-L85 HydrophobicContact CD1-CG 3.92Å; L81-L85 HydrophobicContact CD2-CD1 4.44Å; L81-L85 HydrophobicContact CG-CD1 3.76Å; L81-L85 HydrophobicContact CG-CG 4.18Å; L81-L85 VanDerWaalsContact O-CG 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 3.34Å; Q82-L85 PolarHBondContact O-N 2.88Å; L85-I87 VanDerWaalsContact C-N 3.34Å; L85-N88 PolarHBondContact O-N 3.44Å; L85-L89 WeakPolarHBondContact O-CB 3.17Å; L85-L89 PolarHBondContact O-N 3.41Å; L85-T138 HydrophobicContact CB-CG2 4.18Å; L85-T138 HydrophobicContact CD2-CG2 4.15Å; L85-T138 VanDerWaalsContact O-CG2 3.24Å; L85-T138 WeakPolarHBondContact O-CG2 3.38Å; L85-A141 HydrophobicContact CD1-CB 4Å; L85-A141 HydrophobicContact CD2-CB 3.77Å; L85-I142 HydrophobicContact CB-CD1 4.17Å; L85-I142 HydrophobicContact CB-CG1 3.51Å; L85-I142 HydrophobicContact CD1-CG1 3.94Å; L85-I142 HydrophobicContact CG-CG1 4.3Å; L85-D145 HydrophobicContact CD1-CB 4.22Å; L85-V165 HydrophobicContact CD2-CG1 4.4Å; L85-I166 HydrophobicContact CD2-CD1 3.74Å; L85-I166 HydrophobicContact CG-CD1 4.5Å; L85-L169 HydrophobicContact CD2-CD1 3.65Å
86I94.9Very high92.9Very high8 Ų833.5 Ų33.54%0.04118%0.177CC..Hα-helixtrans-62.4-42.9172.8-70.8167.7000110.7V68 F72 Q82 C83 A90 Y326V68-I86 HydrophobicContact CG1-CG2 4.08Å; F72-I86 HydrophobicContact CD1-CB 4.49Å; F72-I86 HydrophobicContact CD1-CG2 4.03Å; F72-I86 HydrophobicContact CD2-CG2 4.05Å; F72-I86 HydrophobicContact CE1-CB 4.44Å; F72-I86 HydrophobicContact CE1-CD1 3.83Å; F72-I86 HydrophobicContact CE1-CG2 3.93Å; F72-I86 HydrophobicContact CE2-CG2 3.94Å; F72-I86 HydrophobicContact CG-CG2 4.09Å; F72-I86 HydrophobicContact CZ-CD1 4.18Å; F72-I86 HydrophobicContact CZ-CG2 3.87Å; Q82-I86 HydrophobicContact CG-CD1 4.21Å; Q82-I86 WeakPolarHBondContact O-CG1 3.13Å; Q82-I86 PolarHBondContact O-N 3.33Å; C83-I86 PolarHBondContact O-N 3.47Å; I86-A90 WeakPolarHBondContact O-CB 3.38Å; I86-A90 PolarHBondContact O-N 3.22Å; I86-Y326 HydrophobicContact CG2-CE2 3.96Å
87I96.3Very high93.8Very high24 Ų2424.4 Ų24.412%0.12314%0.138CC..Hα-helixtrans-64-45.4175.5-66.1162000110.2F72 L73 C83 A84 L85 L89 A90 I91F72-I87 HydrophobicContact CB-CD1 3.99Å; F72-I87 HydrophobicContact CB-CG1 3.56Å; L73-I87 HydrophobicContact CD2-CD1 3.98Å; L73-I87 HydrophobicContact CG-CD1 4.48Å; C83-I87 WeakPolarHBondContact O-CG1 3.36Å; C83-I87 PolarHBondContact O-N 3.01Å; C83-I87 VanDerWaalsContact O-N 3.1Å; A84-I87 PolarHBondContact O-N 3.47Å; L85-I87 VanDerWaalsContact C-N 3.34Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.44Å; I87-A90 PolarHBondContact O-N 3.05Å; I87-I91 HydrophobicContact CG2-CD1 3.79Å; I87-I91 HydrophobicContact CG2-CG1 4.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.37Å; I87-I91 PolarHBondContact O-N 2.96Å
88N98Very high94.6Very high6 Ų624.7 Ų24.73%0.03214%0.142CC..Hα-helixtrans-60.8-43179.5-16771.5000112.1A84 L85 A90 I91 S92 T138 I166 W170A84-N88 WeakPolarHBondContact O-CB 3.36Å; A84-N88 PolarHBondContact O-N 2.87Å; L85-N88 PolarHBondContact O-N 3.44Å; N88-A90 VanDerWaalsContact C-N 3.35Å; N88-I91 PolarHBondContact O-N 3.37Å; N88-S92 WeakPolarHBondContact O-CB 3.28Å; N88-S92 PolarHBondContact O-N 2.96Å; N88-T138 HydrophobicContact CB-CG2 4.33Å; N88-T138 PolarHBondContact ND2-OG1 3.08Å; N88-I166 HydrophobicContact CB-CD1 3.78Å; N88-W170 PolarHBondContact OD1-NE1 3.42Å
89L97.9Very high95.2Very high1 Ų123.1 Ų23.11%0.00513%0.129CC..Hα-helixtrans-61.7-43.8175-175.955.6000111.1L85 I87 S92 D93 T138 I139 I142L85-L89 WeakPolarHBondContact O-CB 3.17Å; L85-L89 PolarHBondContact O-N 3.41Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.44Å; L89-S92 WeakPolarHBondContact O-CB 3.28Å; L89-S92 PolarHBondContact O-N 3.08Å; L89-D93 WeakPolarHBondContact O-CB 3.38Å; L89-D93 PolarHBondContact O-N 2.95Å; L89-T138 HydrophobicContact CB-CG2 3.78Å; L89-I139 HydrophobicContact CD1-CG1 4.24Å; L89-I139 HydrophobicContact CD2-CG1 4.08Å; L89-I142 HydrophobicContact CD2-CD1 3.97Å
90A97.7Very high95.4Very high1 Ų117 Ų171%0.00810%0.098CC..Hα-helixtrans-67.2-36.2177.200000112.8N65 V68 I69 I86 I87 N88 S92 F94N65-A90 HydrophobicContact CB-CB 4.49Å; N65-A90 WeakPolarHBondContact CB-O 3.08Å; V68-A90 HydrophobicContact CB-CB 3.96Å; V68-A90 HydrophobicContact CG1-CB 3.64Å; I69-A90 HydrophobicContact CD1-CB 4.37Å; I69-A90 HydrophobicContact CG1-CB 3.68Å; I86-A90 WeakPolarHBondContact O-CB 3.38Å; I86-A90 PolarHBondContact O-N 3.22Å; I87-A90 PolarHBondContact O-N 3.05Å; N88-A90 VanDerWaalsContact C-N 3.35Å; A90-S92 VanDerWaalsContact C-N 3.31Å; A90-F94 WeakPolarHBondContact O-CB 3.45Å; A90-F94 PolarHBondContact O-N 3.47Å
91I97.9Very high95Very high63 Ų6317 Ų1732%0.32310%0.098SC..Hα-helixtrans-62.4-43.1172.1-70.5168.7000110.1I69 I87 N88 F94 G95 W170I69-I91 HydrophobicContact CD1-CG1 3.79Å; I69-I91 HydrophobicContact CG1-CG1 4.14Å; I87-I91 HydrophobicContact CG2-CD1 3.79Å; I87-I91 HydrophobicContact CG2-CG1 4.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.37Å; I87-I91 PolarHBondContact O-N 2.96Å; N88-I91 PolarHBondContact O-N 3.37Å; I91-F94 PolarHBondContact O-N 2.97Å; I91-G95 PolarHBondContact O-N 3.44Å; I91-W170 HydrophobicContact CG2-CH2 4.48Å; I91-W170 HydrophobicContact CG2-CZ2 4.08Å
92S97.9Very high94.7Very high0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-61.6-52.9177.6-169.80000111.9N88 L89 A90 F94 G95 F96 F131 L134 S135N88-S92 WeakPolarHBondContact O-CB 3.28Å; N88-S92 PolarHBondContact O-N 2.96Å; L89-S92 WeakPolarHBondContact O-CB 3.28Å; L89-S92 PolarHBondContact O-N 3.08Å; A90-S92 VanDerWaalsContact C-N 3.31Å; S92-F94 VanDerWaalsContact C-N 3.32Å; S92-F94 PolarHBondContact O-N 3.48Å; S92-G95 PolarHBondContact O-N 3.43Å; S92-F96 WeakPolarHBondContact O-CB 3.41Å; S92-F96 PolarHBondContact O-N 3.28Å; S92-F131 WeakPolarHBondContact O-CG 3.49Å; S92-F131 PolarHBondContact OG-O 3.4Å; S92-L134 WeakPolarHBondContact OG-CB 3.44Å; S92-S135 VanDerWaalsContact CB-OG 3.28Å; S92-S135 WeakPolarHBondContact CB-OG 3.27Å; S92-S135 PolarHBondContact OG-N 3.49Å; S92-S135 PolarHBondContact OG-OG 3.47Å
93D97.7Very high94.8Very high4 Ų421.6 Ų21.62%0.02112%0.123CC..Hα-helixtrans-66.7-32.6-179.5-68.2-17.1000112.2N65 L89 S97 S135 A319 N322N65-D93 WeakPolarHBondContact ND2-CB 3.37Å; L89-D93 WeakPolarHBondContact O-CB 3.38Å; L89-D93 PolarHBondContact O-N 2.95Å; D93-S97 VanDerWaalsContact O-CB 3.28Å; D93-S97 WeakPolarHBondContact O-CB 3.5Å; D93-S97 PolarHBondContact O-N 2.96Å; D93-S97 PolarHBondContact O-OG 3.23Å; D93-S135 PolarHBondContact OD1-OG 3.47Å; D93-A319 HydrophobicContact CB-CB 3.93Å; D93-N322 PolarHBondContact OD2-ND2 2.85Å
94F97.4Very high94.9Very high64 Ų6422.6 Ų22.628%0.28113%0.127SC..Hα-helixtrans-62.9-53.5170.1164.4-101.4000111.3T62 N65 L66 I69 A90 I91 S92 F96 S97 A98T62-F94 HydrophobicContact CG2-CD2 3.84Å; T62-F94 HydrophobicContact CG2-CE2 3.56Å; N65-F94 HydrophobicContact CB-CB 3.89Å; L66-F94 HydrophobicContact CD1-CD2 4.23Å; L66-F94 HydrophobicContact CD1-CE2 3.75Å; L66-F94 HydrophobicContact CD2-CD2 3.82Å; L66-F94 HydrophobicContact CD2-CE2 3.6Å; L66-F94 HydrophobicContact CD2-CG 4.44Å; L66-F94 HydrophobicContact CD2-CZ 4.07Å; L66-F94 HydrophobicContact CG-CD2 3.6Å; L66-F94 HydrophobicContact CG-CE2 3.55Å; L66-F94 HydrophobicContact CG-CZ 4.48Å; I69-F94 HydrophobicContact CD1-CB 4.33Å; A90-F94 WeakPolarHBondContact O-CB 3.45Å; A90-F94 PolarHBondContact O-N 3.47Å; I91-F94 PolarHBondContact O-N 2.97Å; S92-F94 VanDerWaalsContact C-N 3.32Å; S92-F94 PolarHBondContact O-N 3.48Å; F94-F96 VanDerWaalsContact C-N 3.29Å; F94-F96 PolarHBondContact O-N 3.23Å; F94-S97 PolarHBondContact O-N 3.17Å; F94-A98 HydrophobicContact CE2-CB 4.47Å; F94-A98 VanDerWaalsContact O-CB 3.28Å; F94-A98 WeakPolarHBondContact O-CB 3.39Å; F94-A98 PolarHBondContact O-N 3.49Å
95G95.8Very high94.8Very high8 Ų821.5 Ų21.58%0.08212%0.117CC..Hα-helixtrans-60.6-40.5-179.600000112I91 S92 V99 F131I91-G95 PolarHBondContact O-N 3.44Å; S92-G95 PolarHBondContact O-N 3.43Å; G95-V99 PolarHBondContact O-N 3.46Å; G95-F131 VanDerWaalsContact C-CD2 3.45Å
96F96Very high94.8Very high8 Ų821.6 Ų21.64%0.03512%0.118CC..Hα-helixtrans-58.3-55.9171.7-168.5-84.3000110.8S92 F94 A98 V99 I100 F131 W285 K316 A319S92-F96 WeakPolarHBondContact O-CB 3.41Å; S92-F96 PolarHBondContact O-N 3.28Å; F94-F96 VanDerWaalsContact C-N 3.29Å; F94-F96 PolarHBondContact O-N 3.23Å; F96-A98 VanDerWaalsContact C-N 3.34Å; F96-A98 PolarHBondContact O-N 3.03Å; F96-V99 PolarHBondContact O-N 3.45Å; F96-I100 HydrophobicContact CB-CD1 4.21Å; F96-I100 HydrophobicContact CD1-CB 4.46Å; F96-I100 HydrophobicContact CD1-CD1 3.85Å; F96-I100 HydrophobicContact CD2-CD1 3.21Å; F96-I100 HydrophobicContact CE1-CB 4.28Å; F96-I100 HydrophobicContact CE1-CD1 3.91Å; F96-I100 HydrophobicContact CE1-CG2 3.94Å; F96-I100 HydrophobicContact CE2-CD1 3.29Å; F96-I100 HydrophobicContact CG-CD1 3.5Å; F96-I100 VanDerWaalsContact CG-CD1 3.5Å; F96-I100 HydrophobicContact CZ-CD1 3.65Å; F96-I100 HydrophobicContact CZ-CG2 3.98Å; F96-I100 WeakPolarHBondContact O-CB 3.09Å; F96-I100 WeakPolarHBondContact O-CD1 3.34Å; F96-I100 WeakPolarHBondContact O-CG1 3.24Å; F96-I100 PolarHBondContact O-N 3.45Å; F96-F131 HydrophobicContact CB-CB 3.83Å; F96-F131 HydrophobicContact CD2-CB 4.02Å; F96-F131 HydrophobicContact CG-CB 4.44Å; F96-W285 AromaticContact CE2-CH2 3.79Å; F96-W285 HydrophobicContact CE2-CH2 3.79Å; F96-W285 AromaticContact CE2-CZ2 3.61Å; F96-W285 HydrophobicContact CE2-CZ2 3.61Å; F96-W285 HydrophobicContact CZ-CH2 4.03Å; F96-W285 AromaticContact CZ-CZ2 3.75Å; F96-W285 HydrophobicContact CZ-CZ2 3.75Å; F96-K316 HydrophobicContact CE1-CB 4.03Å; F96-K316 HydrophobicContact CE1-CG 4.02Å; F96-K316 HydrophobicContact CZ-CG 4.29Å; F96-A319 HydrophobicContact CD1-CB 4.1Å
97S96.1Very high94.9Very high3 Ų323.9 Ų23.92%0.02113%0.13CC..Hα-helixtrans-62.2-39-176.1-57.90000113.2D93 F94 G101 A319D93-S97 VanDerWaalsContact O-CB 3.28Å; D93-S97 WeakPolarHBondContact O-CB 3.5Å; D93-S97 PolarHBondContact O-N 2.96Å; D93-S97 PolarHBondContact O-OG 3.23Å; F94-S97 PolarHBondContact O-N 3.17Å; S97-G101 WeakPolarHBondContact O-CA 3.28Å; S97-G101 PolarHBondContact O-N 2.85Å; S97-G101 VanDerWaalsContact O-N 3.1Å; S97-A319 WeakPolarHBondContact OG-CB 3.49Å
98A94.3Very high94.8Very high33 Ų3322.7 Ų22.727%0.27312%0.124SC..Hα-helixtrans-70.4-32.9-176.600000113.2F94 F96F94-A98 HydrophobicContact CE2-CB 4.47Å; F94-A98 VanDerWaalsContact O-CB 3.28Å; F94-A98 WeakPolarHBondContact O-CB 3.39Å; F94-A98 PolarHBondContact O-N 3.49Å; F96-A98 VanDerWaalsContact C-N 3.34Å; F96-A98 PolarHBondContact O-N 3.03Å
99V91Very high94.6Very high34 Ų3422.4 Ų22.421%0.20612%0.122CC..Hα-helixtrans-92.8-41.1-179.11760000111.6G95 F96 L104 Y124 I127G95-V99 PolarHBondContact O-N 3.46Å; F96-V99 PolarHBondContact O-N 3.45Å; V99-L104 HydrophobicContact CG1-CD1 3.97Å; V99-Y124 HydrophobicContact CG1-CD2 4.44Å; V99-I127 HydrophobicContact CB-CG2 3.94Å; V99-I127 HydrophobicContact CG1-CB 4.25Å; V99-I127 HydrophobicContact CG1-CD1 4.17Å; V99-I127 HydrophobicContact CG1-CG2 3.95Å; V99-I127 HydrophobicContact CG2-CD1 4.33Å; V99-I127 HydrophobicContact CG2-CG2 3.96Å
100I88.5Confident94.5Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-95.8-19.9-165.6-60.5154.2000111.5V54 F96 K105 Y124 S128 K316V54-I100 WeakPolarHBondContact CG1-O 3.03Å; F96-I100 HydrophobicContact CB-CD1 4.21Å; F96-I100 HydrophobicContact CD1-CB 4.46Å; F96-I100 HydrophobicContact CD1-CD1 3.85Å; F96-I100 HydrophobicContact CD2-CD1 3.21Å; F96-I100 HydrophobicContact CE1-CB 4.28Å; F96-I100 HydrophobicContact CE1-CD1 3.91Å; F96-I100 HydrophobicContact CE1-CG2 3.94Å; F96-I100 HydrophobicContact CE2-CD1 3.29Å; F96-I100 HydrophobicContact CG-CD1 3.5Å; F96-I100 VanDerWaalsContact CG-CD1 3.5Å; F96-I100 HydrophobicContact CZ-CD1 3.65Å; F96-I100 HydrophobicContact CZ-CG2 3.98Å; F96-I100 WeakPolarHBondContact O-CB 3.09Å; F96-I100 WeakPolarHBondContact O-CD1 3.34Å; F96-I100 WeakPolarHBondContact O-CG1 3.24Å; F96-I100 PolarHBondContact O-N 3.45Å; I100-K105 WeakPolarHBondContact O-CB 3.42Å; I100-Y124 HydrophobicContact CB-CE2 4.24Å; I100-Y124 HydrophobicContact CG1-CE2 4.24Å; I100-Y124 HydrophobicContact CG2-CE2 4.39Å; I100-Y124 VanDerWaalsContact CG2-OH 3.23Å; I100-Y124 WeakPolarHBondContact CG2-OH 3.37Å; I100-Y124 PolarHBondContact O-OH 3.39Å; I100-S128 VanDerWaalsContact CD1-CB 3.45Å; I100-K316 HydrophobicContact CG2-CD 3.69Å; I100-K316 HydrophobicContact CG2-CG 4.13Å
101G83.6Confident94.3Very high4 Ų430 Ų304%0.04116%0.159CC..THydrogen-bonded Turntrans-81-109.817200000112.4S97 K105 T106S97-G101 WeakPolarHBondContact O-CA 3.28Å; S97-G101 PolarHBondContact O-N 2.85Å; S97-G101 VanDerWaalsContact O-N 3.1Å; G101-K105 PolarHBondContact O-N 3.14Å; G101-T106 PolarHBondContact O-N 3.4Å; G101-T106 PolarHBondContact O-OG1 2.89Å
102F89.1Confident94Very high103 Ų10328.1 Ų28.145%0.45215%0.148SC..THydrogen-bonded Turntrans-104.7132.8177.7179.3-89.2000109.7I59 T106I59-F102 HydrophobicContact CG1-CB 4.39Å; F102-T106 HydrophobicContact CD2-CG2 3.87Å; F102-T106 HydrophobicContact CE2-CG2 4.42Å
103P94.1Very high93.7Very high51 Ų5131.3 Ų31.333%0.33116%0.161SC..THydrogen-bonded Turncis-99-23.514.934.9-34.6000116.2K105 T106 I107P103-K105 PolarHBondContact O-N 3.41Å; P103-T106 PolarHBondContact O-N 3.48Å; P103-I107 HydrophobicContact CB-CD1 3.81Å; P103-I107 HydrophobicContact CB-CG1 4.46Å; P103-I107 WeakPolarHBondContact O-CB 3.43Å; P103-I107 WeakPolarHBondContact O-CG1 3.31Å; P103-I107 PolarHBondContact O-N 3.24Å
104L95.4Very high93.5Very high36 Ų3631.1 Ų31.119%0.18816%0.16CC..Hα-helixtrans-58.1-58.9-162.4-70.8169.3000113.4V99 A108 W114 W116 Y124V99-L104 HydrophobicContact CG1-CD1 3.97Å; L104-A108 VanDerWaalsContact O-CB 3.31Å; L104-A108 WeakPolarHBondContact O-CB 3.03Å; L104-A108 PolarHBondContact O-N 3.09Å; L104-A108 VanDerWaalsContact O-N 3.13Å; L104-W114 HydrophobicContact CB-CH2 4.16Å; L104-W114 HydrophobicContact CB-CZ3 4.47Å; L104-W116 HydrophobicContact CD2-CB 4.4Å; L104-W116 HydrophobicContact CD2-CD2 3.61Å; L104-W116 HydrophobicContact CD2-CE3 4.17Å; L104-W116 HydrophobicContact CD2-CG 3.72Å; L104-W116 HydrophobicContact CD2-CZ2 4.09Å; L104-W116 PolarHBondContact O-NE1 2.66Å; L104-Y124 HydrophobicContact CB-CD2 4.16Å; L104-Y124 HydrophobicContact CB-CE2 4.31Å; L104-Y124 HydrophobicContact CD1-CD2 4.11Å
105K95.2Very high93.3Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-69.1-41.7-179174.953.9169.8-1720111.7V54 I100 G101 P103 I107 A108 A109 Y124 T194 S195 E309V54-K105 HydrophobicContact CB-CG 4.33Å; V54-K105 HydrophobicContact CG1-CB 4.05Å; V54-K105 HydrophobicContact CG1-CG 3.73Å; V54-K105 HydrophobicContact CG2-CG 4.34Å; I100-K105 WeakPolarHBondContact O-CB 3.42Å; G101-K105 PolarHBondContact O-N 3.14Å; P103-K105 PolarHBondContact O-N 3.41Å; K105-I107 PolarHBondContact O-N 2.87Å; K105-A108 PolarHBondContact O-N 2.89Å; K105-A109 WeakPolarHBondContact O-CB 3.47Å; K105-A109 PolarHBondContact O-N 3.47Å; K105-Y124 HydrophobicContact CB-CE2 4.1Å; K105-T194 WeakPolarHBondContact CD-O 3.18Å; K105-T194 PolarHBondContact NZ-O 2.9Å; K105-T194 PolarHBondContact NZ-OG1 3.4Å; K105-S195 PolarHBondContact NZ-OG 3.1Å; K105-E309 WeakPolarHBondContact CE-OE1 3.44Å; K105-E309 IonicContact NZ-OE1 3.92Å; K105-E309 PolarHBondContact NZ-OE1 3.13Å; K105-E309 IonicContact NZ-OE2 2.88Å
106T96.4Very high93.2Very high3 Ų334.4 Ų34.42%0.01817%0.174CC..Hα-helixtrans-57-50.9-179.9-62.40000112A51 A55 G101 F102 P103 A109 F110A51-T106 HydrophobicContact CB-CG2 4.44Å; A55-T106 WeakPolarHBondContact CA-OG1 3.47Å; A55-T106 HydrophobicContact CB-CG2 3.78Å; A55-T106 PolarHBondContact N-OG1 3.25Å; G101-T106 PolarHBondContact O-N 3.4Å; G101-T106 PolarHBondContact O-OG1 2.89Å; F102-T106 HydrophobicContact CD2-CG2 3.87Å; F102-T106 HydrophobicContact CE2-CG2 4.42Å; P103-T106 PolarHBondContact O-N 3.48Å; T106-A109 PolarHBondContact O-N 3.24Å; T106-F110 HydrophobicContact CG2-CD2 3.83Å; T106-F110 HydrophobicContact CG2-CE2 3.58Å; T106-F110 VanDerWaalsContact O-CD2 3.26Å; T106-F110 WeakPolarHBondContact O-CD2 3.39Å; T106-F110 PolarHBondContact O-N 3.15Å
107I95.8Very high93Very high55 Ų5534.7 Ų34.728%0.28218%0.18SC..Hα-helixtrans-68.8-39.6-179.2-64.6174.7000110.5P103 K105 A109 F110 N111 W116P103-I107 HydrophobicContact CB-CD1 3.81Å; P103-I107 HydrophobicContact CB-CG1 4.46Å; P103-I107 WeakPolarHBondContact O-CB 3.43Å; P103-I107 WeakPolarHBondContact O-CG1 3.31Å; P103-I107 PolarHBondContact O-N 3.24Å; K105-I107 PolarHBondContact O-N 2.87Å; I107-A109 VanDerWaalsContact C-N 3.3Å; I107-A109 PolarHBondContact O-N 2.88Å; I107-F110 PolarHBondContact O-N 3.07Å; I107-N111 WeakPolarHBondContact O-CB 3.39Å; I107-N111 PolarHBondContact O-N 3.42Å; I107-W116 HydrophobicContact CB-CH2 4.47Å; I107-W116 HydrophobicContact CB-CZ2 3.76Å; I107-W116 HydrophobicContact CD1-CH2 3.88Å; I107-W116 HydrophobicContact CD1-CZ2 3.91Å; I107-W116 HydrophobicContact CG1-CZ2 4.37Å; I107-W116 HydrophobicContact CG2-CH2 4.32Å; I107-W116 HydrophobicContact CG2-CZ2 3.88Å
108A94.9Very high93Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-58.9-43.1174.900000111.8L104 K105 N111 Q112 Y113 W114 T194L104-A108 VanDerWaalsContact O-CB 3.31Å; L104-A108 WeakPolarHBondContact O-CB 3.03Å; L104-A108 PolarHBondContact O-N 3.09Å; L104-A108 VanDerWaalsContact O-N 3.13Å; K105-A108 PolarHBondContact O-N 2.89Å; A108-N111 CarbonylContact O-C 3.41Å; A108-N111 PolarHBondContact O-N 2.98Å; A108-Q112 PolarHBondContact O-N 3.03Å; A108-Y113 CarbonylContact C-O 3.55Å; A108-Y113 VanDerWaalsContact CA-O 3.26Å; A108-Y113 WeakPolarHBondContact CA-O 3.48Å; A108-Y113 WeakPolarHBondContact CB-O 3.39Å; A108-Y113 PolarHBondContact O-N 3.4Å; A108-W114 HydrophobicContact CB-CE3 3.99Å; A108-T194 WeakPolarHBondContact CB-O 3.39Å; A108-T194 VanDerWaalsContact O-CG2 3.29Å; A108-T194 WeakPolarHBondContact O-CG2 3.49Å
109A95.1Very high93Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-64.3-43.417600000112N47 V50 A51 K105 T106 I107 N111 Q112N47-A109 WeakPolarHBondContact CB-O 3.38Å; V50-A109 HydrophobicContact CG1-CB 4.36Å; A51-A109 HydrophobicContact CB-CB 3.65Å; K105-A109 WeakPolarHBondContact O-CB 3.47Å; K105-A109 PolarHBondContact O-N 3.47Å; T106-A109 PolarHBondContact O-N 3.24Å; I107-A109 VanDerWaalsContact C-N 3.3Å; I107-A109 PolarHBondContact O-N 2.88Å; A109-N111 VanDerWaalsContact C-N 3.29Å; A109-N111 PolarHBondContact O-N 3.44Å; A109-Q112 PolarHBondContact O-N 3.3Å; A109-Q112 VanDerWaalsContact O-N 3.1Å
110F95.1Very high93.2Very high92 Ų9237.6 Ų37.640%0.40420%0.196SC..Hα-helixtrans-61.8-36173.2-78.5-58.1000113.3Y48 A51 I52 T106 I107 Q112Y48-F110 AromaticContact CD1-CD1 3.83Å; Y48-F110 HydrophobicContact CD1-CD1 3.83Å; Y48-F110 HydrophobicContact CD1-CE1 4.39Å; Y48-F110 HydrophobicContact CE1-CD1 4.4Å; A51-F110 HydrophobicContact CB-CD1 3.83Å; A51-F110 HydrophobicContact CB-CD2 3.68Å; A51-F110 HydrophobicContact CB-CE1 3.73Å; A51-F110 HydrophobicContact CB-CE2 3.6Å; A51-F110 HydrophobicContact CB-CG 3.79Å; A51-F110 HydrophobicContact CB-CZ 3.61Å; I52-F110 HydrophobicContact CG1-CZ 4.19Å; T106-F110 HydrophobicContact CG2-CD2 3.83Å; T106-F110 HydrophobicContact CG2-CE2 3.58Å; T106-F110 VanDerWaalsContact O-CD2 3.26Å; T106-F110 WeakPolarHBondContact O-CD2 3.39Å; T106-F110 PolarHBondContact O-N 3.15Å; I107-F110 PolarHBondContact O-N 3.07Å; F110-Q112 VanDerWaalsContact C-N 3.29Å
111N92.2Very high93.6Very high70 Ų7037.7 Ų37.737%0.37420%0.197SC..Hα-helixtrans-76.6-15.3176.3-73.5-7.5000113.3I107 A108 A109 Y113I107-N111 WeakPolarHBondContact O-CB 3.39Å; I107-N111 PolarHBondContact O-N 3.42Å; A108-N111 CarbonylContact O-C 3.41Å; A108-N111 PolarHBondContact O-N 2.98Å; A109-N111 VanDerWaalsContact C-N 3.29Å; A109-N111 PolarHBondContact O-N 3.44Å; N111-Y113 HydrophobicContact CB-CD1 3.98Å; N111-Y113 HydrophobicContact CB-CE1 3.77Å; N111-Y113 WeakPolarHBondContact O-CD1 3.07Å; N111-Y113 PolarHBondContact O-N 3.48Å
112Q92.5Very high94.2Very high22 Ų2240.7 Ų40.710%0.10321%0.21CC..THydrogen-bonded Turntrans65.315.2-174.7-52.6165.32.600114.2P44 N47 Y48 A108 A109 F110P44-Q112 VanDerWaalsContact CB-NE2 3.27Å; N47-Q112 HydrophobicContact CB-CG 4.05Å; Y48-Q112 PolarHBondContact OH-NE2 3.4Å; A108-Q112 PolarHBondContact O-N 3.03Å; A109-Q112 PolarHBondContact O-N 3.3Å; A109-Q112 VanDerWaalsContact O-N 3.1Å; F110-Q112 VanDerWaalsContact C-N 3.29Å
113Y92.2Very high94.6Very high67 Ų6739.5 Ų39.526%0.26321%0.208SC..SBendtrans-155.2166.2171.468.4-83.3000110I21 I25 A108 N111 P115 Q193I21-Y113 HydrophobicContact CG2-CG 4.23Å; I25-Y113 HydrophobicContact CG1-CD2 4.43Å; A108-Y113 CarbonylContact C-O 3.55Å; A108-Y113 VanDerWaalsContact CA-O 3.26Å; A108-Y113 WeakPolarHBondContact CA-O 3.48Å; A108-Y113 WeakPolarHBondContact CB-O 3.39Å; A108-Y113 PolarHBondContact O-N 3.4Å; N111-Y113 HydrophobicContact CB-CD1 3.98Å; N111-Y113 HydrophobicContact CB-CE1 3.77Å; N111-Y113 WeakPolarHBondContact O-CD1 3.07Å; N111-Y113 PolarHBondContact O-N 3.48Å; Y113-P115 HydrophobicContact CD2-CB 4.28Å; Y113-P115 HydrophobicContact CE2-CB 3.64Å; Y113-P115 WeakPolarHBondContact O-CD 3.47Å; Y113-Q193 CarbonylContact C-O 3.56Å
114W93.9Very high94.7Very high0 Ų037.1 Ų37.10%019%0.192CC..  trans-81.4109.9172.5-177.9-92.3000111.9I30 L104 A108 W116 G117 A120 C121 Y124 L189 Q193I30-W114 HydrophobicContact CD1-CB 4.44Å; I30-W114 VanDerWaalsContact CD1-CD1 3.4Å; I30-W114 HydrophobicContact CD1-CG 4.19Å; L104-W114 HydrophobicContact CB-CH2 4.16Å; L104-W114 HydrophobicContact CB-CZ3 4.47Å; A108-W114 HydrophobicContact CB-CE3 3.99Å; W114-W116 AromaticContact CD2-CD1 3.72Å; W114-W116 AromaticContact CE2-CD1 3.6Å; W114-W116 AromaticContact CE3-CD1 3.8Å; W114-W116 AromaticContact CH2-CD1 3.66Å; W114-W116 HydrophobicContact CH2-CG 4.44Å; W114-W116 HydrophobicContact CZ2-CB 3.79Å; W114-W116 AromaticContact CZ2-CD1 3.57Å; W114-W116 HydrophobicContact CZ2-CG 4.02Å; W114-W116 AromaticContact CZ3-CD1 3.77Å; W114-G117 PolarHBondContact NE1-O 3.07Å; W114-A120 HydrophobicContact CZ2-CB 3.95Å; W114-C121 HydrophobicContact CZ2-CB 4.35Å; W114-Y124 AromaticContact CH2-CD2 3.55Å; W114-Y124 HydrophobicContact CH2-CD2 3.55Å; W114-Y124 HydrophobicContact CH2-CE2 4.26Å; W114-Y124 AromaticContact CH2-CG 3.7Å; W114-Y124 HydrophobicContact CH2-CG 3.7Å; W114-Y124 AromaticContact CZ3-CD2 3.94Å; W114-Y124 HydrophobicContact CZ3-CD2 3.94Å; W114-Y124 HydrophobicContact CZ3-CE2 4.2Å; W114-Y124 HydrophobicContact CZ3-CG 4.19Å; W114-L189 HydrophobicContact CB-CD2 3.47Å; W114-L189 VanDerWaalsContact CB-CD2 3.47Å; W114-L189 HydrophobicContact CD2-CD2 4.46Å; W114-L189 HydrophobicContact CG-CD2 3.83Å; W114-Q193 PolarHBondContact N-O 3.31Å
115P92.5Very high94.7Very high47 Ų4735.4 Ų35.431%0.30518%0.184SC..  trans-94.80.2-174.339.4-37.8000114.1Y113Y113-P115 HydrophobicContact CD2-CB 4.28Å; Y113-P115 HydrophobicContact CE2-CB 3.64Å; Y113-P115 WeakPolarHBondContact O-CD 3.47Å
116W92.9Very high94.8Very high94 Ų9437.2 Ų37.236%0.35619%0.192SC..SBendtrans-93.60.2-163.6-50.6109.9000115.1L104 I107 W114 A120L104-W116 HydrophobicContact CD2-CB 4.4Å; L104-W116 HydrophobicContact CD2-CD2 3.61Å; L104-W116 HydrophobicContact CD2-CE3 4.17Å; L104-W116 HydrophobicContact CD2-CG 3.72Å; L104-W116 HydrophobicContact CD2-CZ2 4.09Å; L104-W116 PolarHBondContact O-NE1 2.66Å; I107-W116 HydrophobicContact CB-CH2 4.47Å; I107-W116 HydrophobicContact CB-CZ2 3.76Å; I107-W116 HydrophobicContact CD1-CH2 3.88Å; I107-W116 HydrophobicContact CD1-CZ2 3.91Å; I107-W116 HydrophobicContact CG1-CZ2 4.37Å; I107-W116 HydrophobicContact CG2-CH2 4.32Å; I107-W116 HydrophobicContact CG2-CZ2 3.88Å; W114-W116 AromaticContact CD2-CD1 3.72Å; W114-W116 AromaticContact CE2-CD1 3.6Å; W114-W116 AromaticContact CE3-CD1 3.8Å; W114-W116 AromaticContact CH2-CD1 3.66Å; W114-W116 HydrophobicContact CH2-CG 4.44Å; W114-W116 HydrophobicContact CZ2-CB 3.79Å; W114-W116 AromaticContact CZ2-CD1 3.57Å; W114-W116 HydrophobicContact CZ2-CG 4.02Å; W114-W116 AromaticContact CZ3-CD1 3.77Å; W116-A120 HydrophobicContact CB-CB 3.49Å; W116-A120 VanDerWaalsContact CB-CB 3.49Å; W116-A120 VanDerWaalsContact O-CB 3.25Å; W116-A120 WeakPolarHBondContact O-CB 3.37Å
117G93.1Very high94.9Very high15 Ų1539 Ų3916%0.15520%0.2CC..Hα-helixtrans78.4176-175.400000114.4D27 W114 C121D27-G117 WeakPolarHBondContact OD2-CA 3.4Å; W114-G117 PolarHBondContact NE1-O 3.07Å; G117-C121 WeakPolarHBondContact O-CB 3.5Å; G117-C121 PolarHBondContact O-N 3.23Å; G117-C121 VanDerWaalsContact O-N 3.15Å
118S94.2Very high94.9Very high10 Ų1036.7 Ų36.77%0.0719%0.189CC..Hα-helixtrans-68.9-43.2-172.960.70000112.6D27 A120 C121 Q122D27-S118 WeakPolarHBondContact OD2-CB 3.45Å; D27-S118 PolarHBondContact OD2-N 3.12Å; D27-S118 PolarHBondContact OD2-OG 2.88Å; S118-A120 PolarHBondContact O-N 3.24Å; S118-C121 VanDerWaalsContact O-CB 3.3Å; S118-C121 WeakPolarHBondContact O-CB 3.29Å; S118-C121 PolarHBondContact O-N 3.46Å; S118-C121 VanDerWaalsContact O-N 3.12Å; S118-Q122 WeakPolarHBondContact O-CG 3.35Å; S118-Q122 PolarHBondContact O-N 2.91Å
119V95Very high94.9Very high99 Ų9937 Ų3760%0.619%0.192SC*.Hα-helixtrans-60.2-47.3178.4176.90000110.9C121 Q122 L123V119-C121 VanDerWaalsContact C-N 3.28Å; V119-C121 PolarHBondContact O-N 3.39Å; V119-Q122 PolarHBondContact O-N 3.18Å; V119-L123 HydrophobicContact CG1-CD1 4.09Å; V119-L123 WeakPolarHBondContact O-CG 3.25Å; V119-L123 PolarHBondContact O-N 3.16Å
120A95.5Very high95.1Very high22 Ų2237.4 Ų37.418%0.18219%0.194CC..Hα-helixtrans-63.8-36.217700000111.7W114 W116 S118 Y124W114-A120 HydrophobicContact CZ2-CB 3.95Å; W116-A120 HydrophobicContact CB-CB 3.49Å; W116-A120 VanDerWaalsContact CB-CB 3.49Å; W116-A120 VanDerWaalsContact O-CB 3.25Å; W116-A120 WeakPolarHBondContact O-CB 3.37Å; S118-A120 PolarHBondContact O-N 3.24Å; A120-Y124 WeakPolarHBondContact O-CB 3.3Å; A120-Y124 PolarHBondContact O-N 2.91Å
121C96.1Very high95.2Very high2 Ų234.5 Ų34.51%0.01418%0.182CC..Hα-helixtrans-63.3-47.2176-178.60000111.8I30 W114 G117 S118 V119 Y124 G125 C196I30-C121 HydrophobicContact CD1-CB 4.5Å; W114-C121 HydrophobicContact CZ2-CB 4.35Å; G117-C121 WeakPolarHBondContact O-CB 3.5Å; G117-C121 PolarHBondContact O-N 3.23Å; G117-C121 VanDerWaalsContact O-N 3.15Å; S118-C121 VanDerWaalsContact O-CB 3.3Å; S118-C121 WeakPolarHBondContact O-CB 3.29Å; S118-C121 PolarHBondContact O-N 3.46Å; S118-C121 VanDerWaalsContact O-N 3.12Å; V119-C121 VanDerWaalsContact C-N 3.28Å; V119-C121 PolarHBondContact O-N 3.39Å; C121-Y124 PolarHBondContact O-N 3.36Å; C121-G125 PolarHBondContact O-N 3.09Å; C121-C196 WeakPolarHBondContact CA-SG 3.41Å; C121-C196 HydrophobicContact CB-CB 3.99Å; C121-C196 WeakPolarHBondContact CB-SG 3.38Å; C121-C196 WeakPolarHBondContact O-CB 3.02Å; C121-C196 WeakPolarHBondContact SG-CB 3.23Å; C121-C196 CovalentContact SG-SG 2.02Å; C121-C196 PolarHBondContact SG-SG 3.22Å
122Q96.8Very high95.4Very high67 Ų6731.3 Ų31.331%0.31317%0.165SC..Hα-helixtrans-62.2-46.9177.2-67.7178.748.200111.6S118 V119 Y124 G125 F126 F181 Y187S118-Q122 WeakPolarHBondContact O-CG 3.35Å; S118-Q122 PolarHBondContact O-N 2.91Å; V119-Q122 PolarHBondContact O-N 3.18Å; Q122-Y124 PolarHBondContact O-N 2.97Å; Q122-G125 PolarHBondContact O-N 3.33Å; Q122-F126 VanDerWaalsContact O-CB 3.27Å; Q122-F126 WeakPolarHBondContact O-CB 3.22Å; Q122-F126 PolarHBondContact O-N 3Å; Q122-F181 HydrophobicContact CB-CE1 4.07Å; Q122-F181 HydrophobicContact CB-CZ 4.34Å; Q122-Y187 HydrophobicContact CB-CD2 4.5Å
123L96.8Very high95.6Very high77 Ų7731.2 Ų31.240%0.40316%0.164SC..Hα-helixtrans-64.1-39.8176.4-69.9176000112.1V119 F126 I127 F181V119-L123 HydrophobicContact CG1-CD1 4.09Å; V119-L123 WeakPolarHBondContact O-CG 3.25Å; V119-L123 PolarHBondContact O-N 3.16Å; L123-F126 PolarHBondContact O-N 3.21Å; L123-I127 HydrophobicContact CB-CD1 4.38Å; L123-I127 WeakPolarHBondContact O-CB 3.23Å; L123-I127 WeakPolarHBondContact O-CD1 3.45Å; L123-I127 WeakPolarHBondContact O-CG1 3.47Å; L123-I127 PolarHBondContact O-N 2.93Å; L123-F181 HydrophobicContact CD2-CZ 4.32Å
124Y96.9Very high95.9Very high1 Ų128 Ų280%0.00415%0.152CC..Hα-helixtrans-60.3-49.6176.8-179.2-79.1000111.1V99 I100 L104 K105 W114 A120 C121 Q122 S128 C196 K316V99-Y124 HydrophobicContact CG1-CD2 4.44Å; I100-Y124 HydrophobicContact CB-CE2 4.24Å; I100-Y124 HydrophobicContact CG1-CE2 4.24Å; I100-Y124 HydrophobicContact CG2-CE2 4.39Å; I100-Y124 VanDerWaalsContact CG2-OH 3.23Å; I100-Y124 WeakPolarHBondContact CG2-OH 3.37Å; I100-Y124 PolarHBondContact O-OH 3.39Å; L104-Y124 HydrophobicContact CB-CD2 4.16Å; L104-Y124 HydrophobicContact CB-CE2 4.31Å; L104-Y124 HydrophobicContact CD1-CD2 4.11Å; K105-Y124 HydrophobicContact CB-CE2 4.1Å; W114-Y124 AromaticContact CH2-CD2 3.55Å; W114-Y124 HydrophobicContact CH2-CD2 3.55Å; W114-Y124 HydrophobicContact CH2-CE2 4.26Å; W114-Y124 AromaticContact CH2-CG 3.7Å; W114-Y124 HydrophobicContact CH2-CG 3.7Å; W114-Y124 AromaticContact CZ3-CD2 3.94Å; W114-Y124 HydrophobicContact CZ3-CD2 3.94Å; W114-Y124 HydrophobicContact CZ3-CE2 4.2Å; W114-Y124 HydrophobicContact CZ3-CG 4.19Å; A120-Y124 WeakPolarHBondContact O-CB 3.3Å; A120-Y124 PolarHBondContact O-N 2.91Å; C121-Y124 PolarHBondContact O-N 3.36Å; Q122-Y124 PolarHBondContact O-N 2.97Å; Y124-S128 WeakPolarHBondContact O-CB 3.33Å; Y124-S128 PolarHBondContact O-N 3.27Å; Y124-C196 HydrophobicContact CD1-CB 4.1Å; Y124-C196 WeakPolarHBondContact CD1-O 3.48Å; Y124-C196 WeakPolarHBondContact CE1-O 3.28Å; Y124-K316 PolarHBondContact OH-NZ 2.88Å
125G96.5Very high96.1Very high1 Ų128.1 Ų28.11%0.0115%0.153CC..Hα-helixtrans-61.8-46177.700000112C121 Q122 S128 A129C121-G125 PolarHBondContact O-N 3.09Å; Q122-G125 PolarHBondContact O-N 3.33Å; G125-S128 PolarHBondContact O-N 2.78Å; G125-A129 PolarHBondContact O-N 3.33Å
126F97.4Very high96.3Very high38 Ų3825.9 Ų25.917%0.16714%0.138CC..Hα-helixtrans-60.5-50.5178.1170.9-115.7000113.4Q122 L123 S128 A129 T130 T177 I178 F181 Y187Q122-F126 VanDerWaalsContact O-CB 3.27Å; Q122-F126 WeakPolarHBondContact O-CB 3.22Å; Q122-F126 PolarHBondContact O-N 3Å; L123-F126 PolarHBondContact O-N 3.21Å; F126-S128 VanDerWaalsContact C-N 3.31Å; F126-S128 PolarHBondContact O-N 3.44Å; F126-A129 PolarHBondContact O-N 2.85Å; F126-T130 WeakPolarHBondContact CE2-OG1 3.33Å; F126-T130 VanDerWaalsContact O-CB 3.27Å; F126-T130 WeakPolarHBondContact O-CB 3.38Å; F126-T130 PolarHBondContact O-N 3.36Å; F126-T130 PolarHBondContact O-OG1 2.82Å; F126-T177 WeakPolarHBondContact CD2-O 3.33Å; F126-T177 VanDerWaalsContact CE2-OG1 3.28Å; F126-T177 WeakPolarHBondContact CE2-OG1 3.22Å; F126-I178 HydrophobicContact CE2-CB 4.18Å; F126-I178 HydrophobicContact CE2-CG1 4.33Å; F126-F181 HydrophobicContact CB-CE2 3.67Å; F126-F181 HydrophobicContact CB-CZ 3.88Å; F126-F181 HydrophobicContact CD1-CE2 4.03Å; F126-F181 HydrophobicContact CD1-CZ 4.37Å; F126-F181 HydrophobicContact CD2-CD2 4.47Å; F126-F181 AromaticContact CD2-CE2 3.71Å; F126-F181 HydrophobicContact CD2-CE2 3.71Å; F126-F181 HydrophobicContact CE2-CE2 4.34Å; F126-F181 AromaticContact CG-CE2 3.53Å; F126-F181 HydrophobicContact CG-CE2 3.53Å; F126-F181 HydrophobicContact CG-CZ 4.08Å; F126-Y187 WeakPolarHBondContact CA-OH 3.36Å; F126-Y187 HydrophobicContact CB-CD2 4.41Å; F126-Y187 HydrophobicContact CB-CE2 3.7Å; F126-Y187 HydrophobicContact CD2-CE2 4.49Å
127I97Very high96.5Very high39 Ų3921.9 Ų21.920%0.212%0.124CC..Hα-helixtrans-65.3-40.1-178.7-70170.3000110.1V99 L123 T130 F131V99-I127 HydrophobicContact CB-CG2 3.94Å; V99-I127 HydrophobicContact CG1-CB 4.25Å; V99-I127 HydrophobicContact CG1-CD1 4.17Å; V99-I127 HydrophobicContact CG1-CG2 3.95Å; V99-I127 HydrophobicContact CG2-CD1 4.33Å; V99-I127 HydrophobicContact CG2-CG2 3.96Å; L123-I127 HydrophobicContact CB-CD1 4.38Å; L123-I127 WeakPolarHBondContact O-CB 3.23Å; L123-I127 WeakPolarHBondContact O-CD1 3.45Å; L123-I127 WeakPolarHBondContact O-CG1 3.47Å; L123-I127 PolarHBondContact O-N 2.93Å; I127-T130 PolarHBondContact O-N 2.92Å; I127-F131 HydrophobicContact CG2-CD2 3.4Å; I127-F131 VanDerWaalsContact CG2-CD2 3.4Å; I127-F131 HydrophobicContact CG2-CE2 3.5Å; I127-F131 WeakPolarHBondContact O-CD2 3.42Å; I127-F131 PolarHBondContact O-N 3.18Å
128S95.3Very high96.8Very high7 Ų721.1 Ų21.15%0.04912%0.116CC..Hα-helixtrans-58.6-52.6175-175.30000112.9I100 Y124 G125 F126 T130 G132I100-S128 VanDerWaalsContact CD1-CB 3.45Å; Y124-S128 WeakPolarHBondContact O-CB 3.33Å; Y124-S128 PolarHBondContact O-N 3.27Å; G125-S128 PolarHBondContact O-N 2.78Å; F126-S128 VanDerWaalsContact C-N 3.31Å; F126-S128 PolarHBondContact O-N 3.44Å; S128-T130 PolarHBondContact O-N 3.34Å; S128-G132 PolarHBondContact O-N 2.91Å
129A96.4Very high96.9Very high8 Ų820.8 Ų20.87%0.06611%0.113CC..Hα-helixtrans-63.8-43.4178.500000111.3G125 F126 G132 F133 T177G125-A129 PolarHBondContact O-N 3.33Å; F126-A129 PolarHBondContact O-N 2.85Å; A129-G132 PolarHBondContact O-N 3.42Å; A129-F133 HydrophobicContact CB-CE2 4.27Å; A129-F133 VanDerWaalsContact O-CD2 3.23Å; A129-F133 WeakPolarHBondContact O-CD2 3.49Å; A129-F133 WeakPolarHBondContact O-CG 3.31Å; A129-F133 PolarHBondContact O-N 3.05Å; A129-T177 HydrophobicContact CB-CG2 3.53Å
130T98Very high96.9Very high7 Ų716.2 Ų16.24%0.0439%0.086CC..Hα-helixtrans-63.1-50.5-176.3-580000111.4F126 I127 S128 F133 L134 I174 T177F126-T130 WeakPolarHBondContact CE2-OG1 3.33Å; F126-T130 VanDerWaalsContact O-CB 3.27Å; F126-T130 WeakPolarHBondContact O-CB 3.38Å; F126-T130 PolarHBondContact O-N 3.36Å; F126-T130 PolarHBondContact O-OG1 2.82Å; I127-T130 PolarHBondContact O-N 2.92Å; S128-T130 PolarHBondContact O-N 3.34Å; T130-F133 PolarHBondContact O-N 2.78Å; T130-L134 WeakPolarHBondContact O-CB 3.3Å; T130-L134 PolarHBondContact O-N 3.14Å; T130-I174 HydrophobicContact CG2-CG1 3.91Å; T130-T177 WeakPolarHBondContact OG1-CB 3.43Å; T130-T177 PolarHBondContact OG1-OG1 2.88Å
131F97.7Very high97Very high32 Ų3216 Ų1614%0.149%0.085CC..Hα-helixtrans-72.7-32178.5-72.4-54000112.7S92 G95 F96 I127 L134 S135 W170S92-F131 WeakPolarHBondContact O-CG 3.49Å; S92-F131 PolarHBondContact OG-O 3.4Å; G95-F131 VanDerWaalsContact C-CD2 3.45Å; F96-F131 HydrophobicContact CB-CB 3.83Å; F96-F131 HydrophobicContact CD2-CB 4.02Å; F96-F131 HydrophobicContact CG-CB 4.44Å; I127-F131 HydrophobicContact CG2-CD2 3.4Å; I127-F131 VanDerWaalsContact CG2-CD2 3.4Å; I127-F131 HydrophobicContact CG2-CE2 3.5Å; I127-F131 WeakPolarHBondContact O-CD2 3.42Å; I127-F131 PolarHBondContact O-N 3.18Å; F131-L134 HydrophobicContact CD1-CD2 4.09Å; F131-L134 HydrophobicContact CE1-CD2 4.34Å; F131-L134 PolarHBondContact O-N 3.41Å; F131-S135 WeakPolarHBondContact O-CB 3.34Å; F131-S135 PolarHBondContact O-N 2.9Å; F131-S135 PolarHBondContact O-OG 2.94Å; F131-S135 VanDerWaalsContact O-OG 3.12Å; F131-W170 AromaticContact CE1-CH2 3.67Å; F131-W170 HydrophobicContact CE1-CH2 3.67Å; F131-W170 HydrophobicContact CE1-CZ3 4.12Å; F131-W170 HydrophobicContact CZ-CH2 4.33Å
132G96.1Very high96.9Very high2 Ų216.3 Ų16.32%0.0219%0.086CC..Hα-helixtrans-55.4-54.2170.500000111.4S128 A129 S135 L136 Y281S128-G132 PolarHBondContact O-N 2.91Å; A129-G132 PolarHBondContact O-N 3.42Å; G132-S135 PolarHBondContact O-N 3.28Å; G132-L136 PolarHBondContact O-N 2.99Å; G132-Y281 PolarHBondContact O-OH 3.4Å
133F97.3Very high96.7Very high21 Ų2113.1 Ų13.19%0.0927%0.071CC..Hα-helixtrans-70.4-35.5179-63.2-38.6000113.4A129 T130 S135 L136 T137 T177 M214 G218 F219A129-F133 HydrophobicContact CB-CE2 4.27Å; A129-F133 VanDerWaalsContact O-CD2 3.23Å; A129-F133 WeakPolarHBondContact O-CD2 3.49Å; A129-F133 WeakPolarHBondContact O-CG 3.31Å; A129-F133 PolarHBondContact O-N 3.05Å; T130-F133 PolarHBondContact O-N 2.78Å; F133-S135 VanDerWaalsContact C-N 3.32Å; F133-S135 PolarHBondContact O-N 3.21Å; F133-L136 PolarHBondContact O-N 2.81Å; F133-T137 WeakPolarHBondContact O-CB 3.49Å; F133-T137 VanDerWaalsContact O-CG2 3.28Å; F133-T137 WeakPolarHBondContact O-CG2 3.35Å; F133-T137 PolarHBondContact O-N 3.38Å; F133-T137 PolarHBondContact O-OG1 3.32Å; F133-T177 HydrophobicContact CD2-CG2 3.6Å; F133-T177 HydrophobicContact CE2-CG2 3.85Å; F133-M214 HydrophobicContact CE2-CB 4.11Å; F133-M214 HydrophobicContact CE2-CG 3.94Å; F133-M214 HydrophobicContact CE2-SD 3.94Å; F133-M214 HydrophobicContact CZ-CB 3.95Å; F133-M214 HydrophobicContact CZ-CG 4.28Å; F133-M214 HydrophobicContact CZ-SD 4.39Å; F133-G218 VanDerWaalsContact CD1-C 3.44Å; F133-G218 WeakPolarHBondContact CD1-O 3.35Å; F133-F219 HydrophobicContact CE1-CB 4.37Å
134L98.4Very high96.5Very high0 Ų013.6 Ų13.60%07%0.07CC..Hα-helixtrans-62.5-40.6175.3-176.964.2000111.2S92 T130 F131 T137 T138 L169 W170 S173S92-L134 WeakPolarHBondContact OG-CB 3.44Å; T130-L134 WeakPolarHBondContact O-CB 3.3Å; T130-L134 PolarHBondContact O-N 3.14Å; F131-L134 HydrophobicContact CD1-CD2 4.09Å; F131-L134 HydrophobicContact CE1-CD2 4.34Å; F131-L134 PolarHBondContact O-N 3.41Å; L134-T137 WeakPolarHBondContact CA-OG1 3.46Å; L134-T137 PolarHBondContact O-OG1 3.18Å; L134-T138 WeakPolarHBondContact O-CB 3.46Å; L134-T138 PolarHBondContact O-N 3.49Å; L134-T138 PolarHBondContact O-OG1 2.65Å; L134-L169 HydrophobicContact CD1-CB 3.97Å; L134-W170 HydrophobicContact CD1-CD2 4.33Å; L134-W170 HydrophobicContact CD1-CG 4.26Å; L134-W170 HydrophobicContact CD2-CD2 3.79Å; L134-W170 HydrophobicContact CD2-CE3 3.97Å; L134-W170 HydrophobicContact CD2-CH2 3.74Å; L134-W170 HydrophobicContact CD2-CZ2 3.49Å; L134-W170 VanDerWaalsContact CD2-CZ2 3.49Å; L134-W170 HydrophobicContact CD2-CZ3 3.95Å; L134-S173 WeakPolarHBondContact CA-OG 3.25Å; L134-S173 PolarHBondContact N-OG 2.69Å
135S97.7Very high96.4Very high2 Ų213.6 Ų13.61%0.0147%0.07CC..Hα-helixtrans-62.8-48175.2-67.90000111.2S92 D93 F131 G132 F133 T138 I139S92-S135 VanDerWaalsContact CB-OG 3.28Å; S92-S135 WeakPolarHBondContact CB-OG 3.27Å; S92-S135 PolarHBondContact OG-N 3.49Å; S92-S135 PolarHBondContact OG-OG 3.47Å; D93-S135 PolarHBondContact OD1-OG 3.47Å; F131-S135 WeakPolarHBondContact O-CB 3.34Å; F131-S135 PolarHBondContact O-N 2.9Å; F131-S135 PolarHBondContact O-OG 2.94Å; F131-S135 VanDerWaalsContact O-OG 3.12Å; G132-S135 PolarHBondContact O-N 3.28Å; F133-S135 VanDerWaalsContact C-N 3.32Å; F133-S135 PolarHBondContact O-N 3.21Å; S135-T138 PolarHBondContact O-N 3.36Å; S135-I139 VanDerWaalsContact O-CG1 3.3Å; S135-I139 WeakPolarHBondContact O-CG1 3.34Å; S135-I139 PolarHBondContact O-N 2.99Å
136L97.4Very high96.1Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-64.7-46.4179.9179.857000113.2G132 F133 T138 I139 A140 F219 P222 V223 L278 Y281G132-L136 PolarHBondContact O-N 2.99Å; F133-L136 PolarHBondContact O-N 2.81Å; L136-T138 VanDerWaalsContact C-N 3.27Å; L136-T138 PolarHBondContact O-N 3.4Å; L136-I139 WeakPolarHBondContact O-CB 3.27Å; L136-I139 PolarHBondContact O-N 2.87Å; L136-I139 VanDerWaalsContact O-N 3.16Å; L136-A140 PolarHBondContact O-N 2.91Å; L136-F219 HydrophobicContact CD2-CD2 3.84Å; L136-F219 HydrophobicContact CD2-CE2 4.46Å; L136-F219 HydrophobicContact CD2-CG 4.49Å; L136-P222 HydrophobicContact CD1-CB 4.42Å; L136-P222 HydrophobicContact CD2-CB 3.93Å; L136-P222 HydrophobicContact CD2-CG 4.45Å; L136-P222 HydrophobicContact CG-CB 3.7Å; L136-V223 HydrophobicContact CD1-CG2 4.09Å; L136-V223 HydrophobicContact CD2-CG2 4.02Å; L136-L278 HydrophobicContact CD1-CD1 4.22Å; L136-Y281 HydrophobicContact CB-CE1 3.78Å; L136-Y281 HydrophobicContact CB-CE2 4.22Å; L136-Y281 HydrophobicContact CD1-CD1 3.87Å; L136-Y281 HydrophobicContact CD1-CE1 3.79Å; L136-Y281 HydrophobicContact CD2-CE1 4.03Å; L136-Y281 HydrophobicContact CG-CE1 4.05Å
137T97.5Very high95.6Very high9 Ų914 Ų146%0.0557%0.071CC..Hα-helixtrans-66-33.1178.255.60000111.4F133 L134 A140 A141 P222F133-T137 WeakPolarHBondContact O-CB 3.49Å; F133-T137 VanDerWaalsContact O-CG2 3.28Å; F133-T137 WeakPolarHBondContact O-CG2 3.35Å; F133-T137 PolarHBondContact O-N 3.38Å; F133-T137 PolarHBondContact O-OG1 3.32Å; L134-T137 WeakPolarHBondContact CA-OG1 3.46Å; L134-T137 PolarHBondContact O-OG1 3.18Å; T137-A140 WeakPolarHBondContact O-CB 3.08Å; T137-A140 PolarHBondContact O-N 3.25Å; T137-A141 PolarHBondContact O-N 3.09Å; T137-P222 HydrophobicContact CG2-CB 4.29Å; T137-P222 HydrophobicContact CG2-CG 3.7Å
138T98Very high95.3Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-66.2-42.4170.6-57.50000111.5L85 N88 L89 L134 S135 L136 A140 A141 I142L85-T138 HydrophobicContact CB-CG2 4.18Å; L85-T138 HydrophobicContact CD2-CG2 4.15Å; L85-T138 VanDerWaalsContact O-CG2 3.24Å; L85-T138 WeakPolarHBondContact O-CG2 3.38Å; N88-T138 HydrophobicContact CB-CG2 4.33Å; N88-T138 PolarHBondContact ND2-OG1 3.08Å; L89-T138 HydrophobicContact CB-CG2 3.78Å; L134-T138 WeakPolarHBondContact O-CB 3.46Å; L134-T138 PolarHBondContact O-N 3.49Å; L134-T138 PolarHBondContact O-OG1 2.65Å; S135-T138 PolarHBondContact O-N 3.36Å; L136-T138 VanDerWaalsContact C-N 3.27Å; L136-T138 PolarHBondContact O-N 3.4Å; T138-A140 VanDerWaalsContact C-N 3.27Å; T138-A140 PolarHBondContact O-N 3.1Å; T138-A141 PolarHBondContact O-N 2.99Å; T138-I142 HydrophobicContact CG2-CD1 4.09Å; T138-I142 HydrophobicContact CG2-CG1 4.37Å; T138-I142 VanDerWaalsContact O-CG1 3.26Å; T138-I142 WeakPolarHBondContact O-CG1 3.45Å; T138-I142 PolarHBondContact O-N 2.92Å
139I96.3Very high94.9Very high2 Ų214.6 Ų14.61%0.017%0.074CC..Hα-helixtrans-59.1-40173.4-68.5167.3000110.8L89 S135 L136 I142 S143 L278 Y281L89-I139 HydrophobicContact CD1-CG1 4.24Å; L89-I139 HydrophobicContact CD2-CG1 4.08Å; S135-I139 VanDerWaalsContact O-CG1 3.3Å; S135-I139 WeakPolarHBondContact O-CG1 3.34Å; S135-I139 PolarHBondContact O-N 2.99Å; L136-I139 WeakPolarHBondContact O-CB 3.27Å; L136-I139 PolarHBondContact O-N 2.87Å; L136-I139 VanDerWaalsContact O-N 3.16Å; I139-I142 PolarHBondContact O-N 3.44Å; I139-S143 WeakPolarHBondContact O-CB 3.27Å; I139-S143 PolarHBondContact O-N 2.89Å; I139-S143 PolarHBondContact O-OG 3.24Å; I139-L278 HydrophobicContact CG2-CB 4.12Å; I139-L278 HydrophobicContact CG2-CD1 4.25Å; I139-Y281 HydrophobicContact CD1-CD2 3.77Å; I139-Y281 HydrophobicContact CD1-CG 3.94Å
140A96Very high94.3Very high3 Ų315.8 Ų15.83%0.0258%0.079CC..Hα-helixtrans-63.4-45174.400000112.1L136 T137 T138 I142 S143 F144 P222 L225 C226L136-A140 PolarHBondContact O-N 2.91Å; T137-A140 WeakPolarHBondContact O-CB 3.08Å; T137-A140 PolarHBondContact O-N 3.25Å; T138-A140 VanDerWaalsContact C-N 3.27Å; T138-A140 PolarHBondContact O-N 3.1Å; A140-I142 PolarHBondContact O-N 3.01Å; A140-S143 WeakPolarHBondContact O-CB 3.3Å; A140-S143 PolarHBondContact O-N 3.33Å; A140-F144 PolarHBondContact O-N 2.93Å; A140-P222 HydrophobicContact CB-CB 4.4Å; A140-L225 HydrophobicContact CB-CD2 4.18Å; A140-C226 WeakPolarHBondContact CA-SG 3.43Å; A140-C226 WeakPolarHBondContact CB-SG 3.43Å
141A96.8Very high93.5Very high18 Ų1817.4 Ų17.415%0.1499%0.089CC..Hα-helixtrans-63.1-39.2175.500000112.5L85 T137 T138 S143 F144 D145 L169L85-A141 HydrophobicContact CD1-CB 4Å; L85-A141 HydrophobicContact CD2-CB 3.77Å; T137-A141 PolarHBondContact O-N 3.09Å; T138-A141 PolarHBondContact O-N 2.99Å; A141-S143 VanDerWaalsContact C-N 3.34Å; A141-F144 PolarHBondContact O-N 3.42Å; A141-D145 WeakPolarHBondContact O-CB 3.3Å; A141-D145 PolarHBondContact O-N 3.13Å; A141-L169 HydrophobicContact CB-CD1 3.97Å; A141-L169 HydrophobicContact CB-CD2 4.17Å
142I95Very high92.9Very high8 Ų822.2 Ų22.24%0.04111%0.11CC..Hα-helixtrans-63.8-43.7174.6-63.2165.9000109.6L85 L89 T138 I139 A140 F144 D145 R146 V274L85-I142 HydrophobicContact CB-CD1 4.17Å; L85-I142 HydrophobicContact CB-CG1 3.51Å; L85-I142 HydrophobicContact CD1-CG1 3.94Å; L85-I142 HydrophobicContact CG-CG1 4.3Å; L89-I142 HydrophobicContact CD2-CD1 3.97Å; T138-I142 HydrophobicContact CG2-CD1 4.09Å; T138-I142 HydrophobicContact CG2-CG1 4.37Å; T138-I142 VanDerWaalsContact O-CG1 3.26Å; T138-I142 WeakPolarHBondContact O-CG1 3.45Å; T138-I142 PolarHBondContact O-N 2.92Å; I139-I142 PolarHBondContact O-N 3.44Å; A140-I142 PolarHBondContact O-N 3.01Å; I142-F144 VanDerWaalsContact C-N 3.31Å; I142-F144 PolarHBondContact O-N 2.96Å; I142-D145 PolarHBondContact O-N 3.15Å; I142-R146 VanDerWaalsContact O-CG 3.31Å; I142-R146 WeakPolarHBondContact O-CG 3.37Å; I142-R146 PolarHBondContact O-N 3.43Å; I142-V274 HydrophobicContact CB-CG1 4.43Å; I142-V274 HydrophobicContact CG2-CB 4.39Å; I142-V274 HydrophobicContact CG2-CG1 3.92Å; I142-V274 HydrophobicContact CG2-CG2 3.45Å; I142-V274 VanDerWaalsContact CG2-CG2 3.45Å
143S92.9Very high92.3Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-59.7-42.4177.4-55.90000111.8I139 A140 A141 R146 Y147 Y230 V274I139-S143 WeakPolarHBondContact O-CB 3.27Å; I139-S143 PolarHBondContact O-N 2.89Å; I139-S143 PolarHBondContact O-OG 3.24Å; A140-S143 WeakPolarHBondContact O-CB 3.3Å; A140-S143 PolarHBondContact O-N 3.33Å; A141-S143 VanDerWaalsContact C-N 3.34Å; S143-R146 PolarHBondContact O-N 3.16Å; S143-Y147 PolarHBondContact O-N 2.94Å; S143-Y230 VanDerWaalsContact OG-CZ 3.26Å; S143-Y230 PolarHBondContact OG-OH 3.17Å; S143-V274 WeakPolarHBondContact OG-CG1 3.26Å
144F92.9Very high91.9Very high87 Ų8732.3 Ų32.338%0.38216%0.161SC..Hα-helixtrans-69.4-42.2177-172.4-108.7000112.6A140 A141 I142 R146 Y147 L148A140-F144 PolarHBondContact O-N 2.93Å; A141-F144 PolarHBondContact O-N 3.42Å; I142-F144 VanDerWaalsContact C-N 3.31Å; I142-F144 PolarHBondContact O-N 2.96Å; F144-R146 VanDerWaalsContact C-N 3.3Å; F144-R146 PolarHBondContact O-N 3.38Å; F144-Y147 HydrophobicContact CD2-CD1 4.39Å; F144-Y147 HydrophobicContact CE2-CD1 4.24Å; F144-Y147 WeakPolarHBondContact O-CA 3.32Å; F144-Y147 WeakPolarHBondContact O-CB 3.47Å; F144-Y147 PolarHBondContact O-N 3.39Å; F144-Y147 VanDerWaalsContact O-N 3.09Å; F144-L148 HydrophobicContact CD1-CD1 4.06Å; F144-L148 HydrophobicContact CD1-CG 4.34Å; F144-L148 HydrophobicContact CE1-CD1 3.71Å; F144-L148 HydrophobicContact CE1-CD2 4.3Å; F144-L148 HydrophobicContact CE1-CG 4.05Å; F144-L148 HydrophobicContact CZ-CD1 4.4Å; F144-L148 HydrophobicContact CZ-CD2 4.16Å; F144-L148 HydrophobicContact CZ-CG 4.33Å; F144-L148 PolarHBondContact O-N 3.37Å
145D93.3Very high91.6Very high2 Ų237.5 Ų37.51%0.01118%0.183CC..Hα-helixtrans-59.1-40.7173.1169.883.4000111.4L81 Q82 L85 A141 I142 Y147 L148 V149L81-D145 HydrophobicContact CD2-CB 4.15Å; L81-D145 HydrophobicContact CG-CB 4.5Å; Q82-D145 WeakPolarHBondContact CB-OD2 3.24Å; L85-D145 HydrophobicContact CD1-CB 4.22Å; A141-D145 WeakPolarHBondContact O-CB 3.3Å; A141-D145 PolarHBondContact O-N 3.13Å; I142-D145 PolarHBondContact O-N 3.15Å; D145-Y147 VanDerWaalsContact C-N 3.34Å; D145-Y147 PolarHBondContact O-N 2.91Å; D145-L148 PolarHBondContact O-N 3.38Å; D145-V149 WeakPolarHBondContact O-CG2 3.31Å; D145-V149 PolarHBondContact O-N 2.92Å
146R90.4Very high91.3Very high8 Ų838 Ų383%0.0319%0.186CC..Hα-helixtrans-61.7-41.7172.6-68.7-54.881.4-165.83.1112.4Q82 I142 S143 F144 V149 I150 L233 V274Q82-R146 VanDerWaalsContact NE2-CZ 3.33Å; I142-R146 VanDerWaalsContact O-CG 3.31Å; I142-R146 WeakPolarHBondContact O-CG 3.37Å; I142-R146 PolarHBondContact O-N 3.43Å; S143-R146 PolarHBondContact O-N 3.16Å; F144-R146 VanDerWaalsContact C-N 3.3Å; F144-R146 PolarHBondContact O-N 3.38Å; R146-V149 PolarHBondContact O-N 3.18Å; R146-I150 WeakPolarHBondContact O-CB 3.27Å; R146-I150 WeakPolarHBondContact O-CG1 3.47Å; R146-I150 PolarHBondContact O-N 3.31Å; R146-L233 HydrophobicContact CB-CD1 4.14Å; R146-L233 HydrophobicContact CB-CD2 4.48Å; R146-V274 HydrophobicContact CG-CG2 3.99Å
147Y88Confident91.1Very high40 Ų4041.7 Ų41.716%0.15721%0.209CC..Hα-helixtrans-59.8-47.6173.8170.4-94.8000111.3S143 F144 D145 V149 I150 V151 N232S143-Y147 PolarHBondContact O-N 2.94Å; F144-Y147 HydrophobicContact CD2-CD1 4.39Å; F144-Y147 HydrophobicContact CE2-CD1 4.24Å; F144-Y147 WeakPolarHBondContact O-CA 3.32Å; F144-Y147 WeakPolarHBondContact O-CB 3.47Å; F144-Y147 PolarHBondContact O-N 3.39Å; F144-Y147 VanDerWaalsContact O-N 3.09Å; D145-Y147 VanDerWaalsContact C-N 3.34Å; D145-Y147 PolarHBondContact O-N 2.91Å; Y147-V149 PolarHBondContact O-N 3.18Å; Y147-I150 PolarHBondContact O-N 3.47Å; Y147-V151 HydrophobicContact CD2-CB 4.07Å; Y147-V151 HydrophobicContact CD2-CG2 3.44Å; Y147-V151 VanDerWaalsContact CD2-CG2 3.44Å; Y147-V151 HydrophobicContact CE2-CB 3.9Å; Y147-V151 HydrophobicContact CE2-CG1 3.85Å; Y147-V151 HydrophobicContact CE2-CG2 3.62Å; Y147-V151 HydrophobicContact CG-CG2 4.14Å; Y147-V151 WeakPolarHBondContact O-CB 3.34Å; Y147-V151 WeakPolarHBondContact O-CG2 3.36Å; Y147-V151 PolarHBondContact O-N 3.33Å; Y147-N232 HydrophobicContact CD2-CB 4.08Å; Y147-N232 HydrophobicContact CE2-CB 3.95Å
148L89.6Confident91Very high35 Ų3545.6 Ų45.618%0.18323%0.23CC..Hα-helixtrans-60.3-44.5177.6-66.6178.9000112.6F144 D145 K152 D153 H154F144-L148 HydrophobicContact CD1-CD1 4.06Å; F144-L148 HydrophobicContact CD1-CG 4.34Å; F144-L148 HydrophobicContact CE1-CD1 3.71Å; F144-L148 HydrophobicContact CE1-CD2 4.3Å; F144-L148 HydrophobicContact CE1-CG 4.05Å; F144-L148 HydrophobicContact CZ-CD1 4.4Å; F144-L148 HydrophobicContact CZ-CD2 4.16Å; F144-L148 HydrophobicContact CZ-CG 4.33Å; F144-L148 PolarHBondContact O-N 3.37Å; D145-L148 PolarHBondContact O-N 3.38Å; L148-K152 HydrophobicContact CD2-CG 4.32Å; L148-K152 CarbonylContact O-C 3.21Å; L148-K152 WeakPolarHBondContact O-CA 3.3Å; L148-K152 VanDerWaalsContact O-CB 3.3Å; L148-K152 WeakPolarHBondContact O-CB 3.27Å; L148-K152 PolarHBondContact O-N 3.19Å; L148-D153 PolarHBondContact O-N 2.9Å; L148-H154 CarbonylContact C-O 3.48Å; L148-H154 PolarHBondContact O-N 2.84Å; L148-H154 VanDerWaalsContact O-N 3.08Å
149V88.2Confident90.8Very high23 Ų2352.4 Ų52.414%0.13926%0.26CS..Hα-helixtrans-67.1-43-179.1170.70000112D145 R146 Y147 D153 H154 K155D145-V149 WeakPolarHBondContact O-CG2 3.31Å; D145-V149 PolarHBondContact O-N 2.92Å; R146-V149 PolarHBondContact O-N 3.18Å; Y147-V149 PolarHBondContact O-N 3.18Å; V149-D153 WeakPolarHBondContact O-CA 3.27Å; V149-D153 PolarHBondContact O-N 3.47Å; V149-H154 WeakPolarHBondContact CA-O 3.16Å; V149-H154 VanDerWaalsContact CG2-O 3.28Å; V149-H154 WeakPolarHBondContact CG2-O 3.47Å; V149-H154 PolarHBondContact N-O 2.87Å; V149-K155 HydrophobicContact CG2-CB 4.3Å; V149-K155 HydrophobicContact CG2-CG 4.47Å
150I83.5Confident90.7Very high32 Ų3262 Ų6216%0.16430%0.296CS..Hα-helixtrans-83.9-36.1-173.2-66.8169.9000112R146 Y147 L233 I236 D267 T271R146-I150 WeakPolarHBondContact O-CB 3.27Å; R146-I150 WeakPolarHBondContact O-CG1 3.47Å; R146-I150 PolarHBondContact O-N 3.31Å; Y147-I150 PolarHBondContact O-N 3.47Å; I150-L233 HydrophobicContact CB-CD2 4.23Å; I150-L233 HydrophobicContact CD1-CD2 3.89Å; I150-L233 HydrophobicContact CG2-CD2 4.5Å; I150-I236 HydrophobicContact CG2-CG2 4.05Å; I150-D267 HydrophobicContact CD1-CB 4.33Å; I150-D267 HydrophobicContact CG1-CB 4.34Å; I150-T271 WeakPolarHBondContact CD1-OG1 3.47Å
151V81.7Confident90.8Very high42 Ų4265 Ų6526%0.25531%0.314SS..Hα-helixtrans-97.3-36.3-170.7-176.10000112Y147 I236Y147-V151 HydrophobicContact CD2-CB 4.07Å; Y147-V151 HydrophobicContact CD2-CG2 3.44Å; Y147-V151 VanDerWaalsContact CD2-CG2 3.44Å; Y147-V151 HydrophobicContact CE2-CB 3.9Å; Y147-V151 HydrophobicContact CE2-CG1 3.85Å; Y147-V151 HydrophobicContact CE2-CG2 3.62Å; Y147-V151 HydrophobicContact CG-CG2 4.14Å; Y147-V151 WeakPolarHBondContact O-CB 3.34Å; Y147-V151 WeakPolarHBondContact O-CG2 3.36Å; Y147-V151 PolarHBondContact O-N 3.33Å; V151-I236 HydrophobicContact CB-CD1 3.78Å; V151-I236 HydrophobicContact CG1-CD1 3.4Å; V151-I236 HydrophobicContact CG2-CD1 3.11Å; V151-I236 HydrophobicContact CG2-CG1 4.39Å; V151-I236 HydrophobicContact CG2-CG2 4.48Å
152K83.6Confident90.8Very high133 Ų13364.6 Ų64.658%0.57831%0.309SS*.SBendtrans-1081-175.9-56.5-62.5-173.9177.50112.9L148 H154L148-K152 HydrophobicContact CD2-CG 4.32Å; L148-K152 CarbonylContact O-C 3.21Å; L148-K152 WeakPolarHBondContact O-CA 3.3Å; L148-K152 VanDerWaalsContact O-CB 3.3Å; L148-K152 WeakPolarHBondContact O-CB 3.27Å; L148-K152 PolarHBondContact O-N 3.19Å; K152-H154 HydrophobicContact CB-CB 4.18Å; K152-H154 PolarHBondContact O-N 2.65Å; K152-H154 VanDerWaalsContact O-N 3.08Å
153D84.6Confident90.9Very high141 Ų14167 Ų6775%0.75433%0.326SS*.  trans47.733.4-171.5-161.927.8000112.4L148 V149L148-D153 PolarHBondContact O-N 2.9Å; V149-D153 WeakPolarHBondContact O-CA 3.27Å; V149-D153 PolarHBondContact O-N 3.47Å
154H89.3Confident91.1Very high94 Ų9471.8 Ų71.844%0.43536%0.355SS..  trans-109.2114.1-175.1-177.979.2000110.2L148 V149 K152 T156L148-H154 CarbonylContact C-O 3.48Å; L148-H154 PolarHBondContact O-N 2.84Å; L148-H154 VanDerWaalsContact O-N 3.08Å; V149-H154 WeakPolarHBondContact CA-O 3.16Å; V149-H154 VanDerWaalsContact CG2-O 3.28Å; V149-H154 WeakPolarHBondContact CG2-O 3.47Å; V149-H154 PolarHBondContact N-O 2.87Å; K152-H154 HydrophobicContact CB-CB 4.18Å; K152-H154 PolarHBondContact O-N 2.65Å; K152-H154 VanDerWaalsContact O-N 3.08Å; H154-T156 PolarHBondContact NE2-OG1 3.28Å
155K90.6Very high91.4Very high108 Ų10869.6 Ų69.647%0.4735%0.349SS..  trans-107.7117.9173.7-172.7-180179.9-179.40110.4V149 T157V149-K155 HydrophobicContact CG2-CB 4.3Å; V149-K155 HydrophobicContact CG2-CG 4.47Å; K155-T157 HydrophobicContact CD-CG2 4.36Å; K155-T157 HydrophobicContact CG-CG2 4.24Å; K155-T157 PolarHBondContact O-N 3.46Å
156T92.8Very high91.6Very high12 Ų1271 Ų717%0.07436%0.356CS..  trans-78.6114.9176.2-52.40000110.8S80 L81 H154 V161 I162S80-T156 WeakPolarHBondContact CA-O 3.36Å; L81-T156 HydrophobicContact CB-CG2 4.19Å; L81-T156 HydrophobicContact CD2-CG2 4.37Å; L81-T156 PolarHBondContact N-O 2.91Å; H154-T156 PolarHBondContact NE2-OG1 3.28Å; T156-V161 HydrophobicContact CG2-CB 4.06Å; T156-V161 HydrophobicContact CG2-CG1 3.72Å; T156-I162 HydrophobicContact CG2-CG1 4.28Å
157T93.1Very high92Very high79 Ų7972 Ų7249%0.48537%0.369SS..  trans-120.5-9.3175.356.40000113K155 F159K155-T157 HydrophobicContact CD-CG2 4.36Å; K155-T157 HydrophobicContact CG-CG2 4.24Å; K155-T157 PolarHBondContact O-N 3.46Å; T157-F159 PolarHBondContact O-N 2.89Å
158N94.1Very high92.5Very high91 Ų9175.9 Ų75.949%0.48739%0.387SS..  trans-65.9115.3177.9-176.4-33.9000110.1R160 V161 I162N158-R160 VanDerWaalsContact C-N 3.3Å; N158-R160 PolarHBondContact O-N 3.15Å; N158-R160 WeakPolarHBondContact OD1-CB 3.48Å; N158-R160 PolarHBondContact OD1-N 3.33Å; N158-V161 HydrophobicContact CB-CB 4.24Å; N158-V161 HydrophobicContact CB-CG2 3.96Å; N158-V161 PolarHBondContact O-N 3.09Å; N158-I162 WeakPolarHBondContact O-CG1 3.06Å; N158-I162 PolarHBondContact O-N 3Å
159F93.6Very high92.9Very high143 Ų14374.6 Ų74.663%0.62738%0.38SS*.Hα-helixtrans-57.6-39.3-177.4-176.9-103.9000113.2T157 V161 I162 C163T157-F159 PolarHBondContact O-N 2.89Å; F159-V161 PolarHBondContact O-N 3.29Å; F159-I162 PolarHBondContact O-N 3.39Å; F159-C163 VanDerWaalsContact CE1-SG 3.5Å; F159-C163 WeakPolarHBondContact CZ-SG 3.32Å; F159-C163 PolarHBondContact O-N 3.42Å; F159-C163 PolarHBondContact O-SG 2.85Å; F159-C163 VanDerWaalsContact O-SG 3.4Å
160R96.1Very high93.4Very high203 Ų20377 Ų7777%0.76639%0.387SS*.Hα-helixtrans-62.2-46.1178.6-63.9-176-177.3176.20.8110.9N158 I162 C163 T164N158-R160 VanDerWaalsContact C-N 3.3Å; N158-R160 PolarHBondContact O-N 3.15Å; N158-R160 WeakPolarHBondContact OD1-CB 3.48Å; N158-R160 PolarHBondContact OD1-N 3.33Å; R160-I162 VanDerWaalsContact C-N 3.33Å; R160-I162 PolarHBondContact O-N 3.02Å; R160-C163 PolarHBondContact O-N 3.14Å; R160-T164 PolarHBondContact O-N 3.12Å; R160-T164 PolarHBondContact O-OG1 2.74Å
161V96.4Very high94.1Very high66 Ų6681 Ų8140%0.441%0.407SS..Hα-helixtrans-62.5-42.3177.1-1800000110.8T156 N158 F159 T164 V165T156-V161 HydrophobicContact CG2-CB 4.06Å; T156-V161 HydrophobicContact CG2-CG1 3.72Å; N158-V161 HydrophobicContact CB-CB 4.24Å; N158-V161 HydrophobicContact CB-CG2 3.96Å; N158-V161 PolarHBondContact O-N 3.09Å; F159-V161 PolarHBondContact O-N 3.29Å; V161-T164 PolarHBondContact O-N 3.13Å; V161-V165 HydrophobicContact CG1-CG2 4.47Å; V161-V165 WeakPolarHBondContact O-CG2 3.42Å; V161-V165 PolarHBondContact O-N 2.77Å
162I97Very high94.9Very high9 Ų981.6 Ų81.65%0.04641%0.405CS..Hα-helixtrans-59.4-49.6176.5-66.4168.4000110.6I79 L81 A84 T156 N158 F159 R160 T164 V165 I166I79-I162 HydrophobicContact CG2-CD1 4.44Å; L81-I162 HydrophobicContact CB-CG1 4.09Å; L81-I162 HydrophobicContact CD1-CG1 4.27Å; L81-I162 HydrophobicContact CD1-CG2 4.44Å; A84-I162 HydrophobicContact CB-CG2 3.36Å; T156-I162 HydrophobicContact CG2-CG1 4.28Å; N158-I162 WeakPolarHBondContact O-CG1 3.06Å; N158-I162 PolarHBondContact O-N 3Å; F159-I162 PolarHBondContact O-N 3.39Å; R160-I162 VanDerWaalsContact C-N 3.33Å; R160-I162 PolarHBondContact O-N 3.02Å; I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 PolarHBondContact O-N 2.91Å; I162-V165 PolarHBondContact O-N 3.1Å; I162-I166 HydrophobicContact CG2-CG1 4.45Å; I162-I166 WeakPolarHBondContact O-CG1 3.25Å; I162-I166 PolarHBondContact O-N 3.47Å
163C97Very high95.6Very high59 Ų5975.2 Ų75.240%0.39938%0.377SS..Hα-helixtrans-61.2-40.5177.2-70.20000112.4F159 R160 I166 G167F159-C163 VanDerWaalsContact CE1-SG 3.5Å; F159-C163 WeakPolarHBondContact CZ-SG 3.32Å; F159-C163 PolarHBondContact O-N 3.42Å; F159-C163 PolarHBondContact O-SG 2.85Å; F159-C163 VanDerWaalsContact O-SG 3.4Å; R160-C163 PolarHBondContact O-N 3.14Å; C163-I166 PolarHBondContact O-N 3.4Å; C163-G167 PolarHBondContact O-N 3.49Å
164T97.9Very high96.2Very high100 Ų10071.2 Ų71.261%0.61336%0.355SS*.Hα-helixtrans-61.3-45175.4-59.30000111.5R160 V161 I162 G167 F168R160-T164 PolarHBondContact O-N 3.12Å; R160-T164 PolarHBondContact O-OG1 2.74Å; V161-T164 PolarHBondContact O-N 3.13Å; I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 PolarHBondContact O-N 2.91Å; T164-G167 PolarHBondContact O-N 3.03Å; T164-F168 WeakPolarHBondContact O-CB 3.3Å; T164-F168 PolarHBondContact O-N 3.11Å
165V98Very high96.6Very high41 Ų4171.4 Ų71.425%0.24836%0.359CS..Hα-helixtrans-63.2-48.6177.3173.10000110.7L81 L85 V161 I162 G167 F168 L169L81-V165 HydrophobicContact CD1-CB 4.1Å; L81-V165 HydrophobicContact CD1-CG1 3.98Å; L81-V165 HydrophobicContact CD1-CG2 4.44Å; L85-V165 HydrophobicContact CD2-CG1 4.4Å; V161-V165 HydrophobicContact CG1-CG2 4.47Å; V161-V165 WeakPolarHBondContact O-CG2 3.42Å; V161-V165 PolarHBondContact O-N 2.77Å; I162-V165 PolarHBondContact O-N 3.1Å; V165-G167 PolarHBondContact O-N 3.04Å; V165-F168 WeakPolarHBondContact O-CB 3.32Å; V165-F168 PolarHBondContact O-N 3.26Å; V165-L169 HydrophobicContact CG1-CD1 4.43Å; V165-L169 WeakPolarHBondContact O-CG 3.45Å; V165-L169 PolarHBondContact O-N 2.85Å
166I98.4Very high96.9Very high32 Ų3269.3 Ų69.316%0.16435%0.348CS..Hα-helixtrans-60-48.7178.1-64-55.9000110.8L85 N88 I162 C163 F168 L169 W170L85-I166 HydrophobicContact CD2-CD1 3.74Å; L85-I166 HydrophobicContact CG-CD1 4.5Å; N88-I166 HydrophobicContact CB-CD1 3.78Å; I162-I166 HydrophobicContact CG2-CG1 4.45Å; I162-I166 WeakPolarHBondContact O-CG1 3.25Å; I162-I166 PolarHBondContact O-N 3.47Å; C163-I166 PolarHBondContact O-N 3.4Å; I166-F168 VanDerWaalsContact C-N 3.29Å; I166-F168 PolarHBondContact O-N 3.1Å; I166-L169 HydrophobicContact CD1-CD1 4.45Å; I166-L169 PolarHBondContact O-N 3Å; I166-L169 VanDerWaalsContact O-N 3.11Å; I166-W170 VanDerWaalsContact O-CD1 3.28Å; I166-W170 PolarHBondContact O-N 3.39Å; I166-W170 VanDerWaalsContact O-N 3.12Å
167G98.5Very high97.2Very high30 Ų3068.7 Ų68.731%0.30934%0.344SS..Hα-helixtrans-57.8-41.1177.500000112.7C163 T164 V165 L169 W170 I171C163-G167 PolarHBondContact O-N 3.49Å; T164-G167 PolarHBondContact O-N 3.03Å; V165-G167 PolarHBondContact O-N 3.04Å; G167-L169 PolarHBondContact O-N 3.25Å; G167-W170 PolarHBondContact O-N 3.41Å; G167-I171 VanDerWaalsContact O-CG1 3.29Å; G167-I171 WeakPolarHBondContact O-CG1 3.45Å; G167-I171 PolarHBondContact O-N 2.56Å
168F98.5Very high97.4Very high120 Ų12067.7 Ų67.753%0.52634%0.335SS..Hα-helixtrans-60.2-44.4174.3173.7-96000112.3T164 V165 I166 W170 I171 W172T164-F168 WeakPolarHBondContact O-CB 3.3Å; T164-F168 PolarHBondContact O-N 3.11Å; V165-F168 WeakPolarHBondContact O-CB 3.32Å; V165-F168 PolarHBondContact O-N 3.26Å; I166-F168 VanDerWaalsContact C-N 3.29Å; I166-F168 PolarHBondContact O-N 3.1Å; F168-W170 VanDerWaalsContact C-N 3.34Å; F168-W170 PolarHBondContact O-N 3.29Å; F168-I171 PolarHBondContact O-N 3.05Å; F168-W172 HydrophobicContact CE2-CE3 4.34Å; F168-W172 HydrophobicContact CZ-CD2 4.47Å; F168-W172 AromaticContact CZ-CE3 3.85Å; F168-W172 HydrophobicContact CZ-CE3 3.85Å; F168-W172 HydrophobicContact CZ-CZ3 4.48Å; F168-W172 VanDerWaalsContact O-CB 3.27Å; F168-W172 WeakPolarHBondContact O-CB 3.42Å; F168-W172 PolarHBondContact O-N 3.3Å
169L98.5Very high97.6Very high9 Ų964.6 Ų64.65%0.04732%0.32CS..Hα-helixtrans-62.4-40.3178.9-64.1175.5000112.4L85 L134 A141 V165 I166 G167 S173L85-L169 HydrophobicContact CD2-CD1 3.65Å; L134-L169 HydrophobicContact CD1-CB 3.97Å; A141-L169 HydrophobicContact CB-CD1 3.97Å; A141-L169 HydrophobicContact CB-CD2 4.17Å; V165-L169 HydrophobicContact CG1-CD1 4.43Å; V165-L169 WeakPolarHBondContact O-CG 3.45Å; V165-L169 PolarHBondContact O-N 2.85Å; I166-L169 HydrophobicContact CD1-CD1 4.45Å; I166-L169 PolarHBondContact O-N 3Å; I166-L169 VanDerWaalsContact O-N 3.11Å; G167-L169 PolarHBondContact O-N 3.25Å; L169-S173 WeakPolarHBondContact O-CB 3.34Å; L169-S173 PolarHBondContact O-N 2.84Å; L169-S173 PolarHBondContact O-OG 3.03Å
170W98.6Very high97.7Very high74 Ų7458.4 Ų58.428%0.2829%0.294SS..Hα-helixtrans-66.2-48.9175.4-81.391.5000111.9N88 I91 F131 L134 I166 G167 F168 W172 S173 I174N88-W170 PolarHBondContact OD1-NE1 3.42Å; I91-W170 HydrophobicContact CG2-CH2 4.48Å; I91-W170 HydrophobicContact CG2-CZ2 4.08Å; F131-W170 AromaticContact CE1-CH2 3.67Å; F131-W170 HydrophobicContact CE1-CH2 3.67Å; F131-W170 HydrophobicContact CE1-CZ3 4.12Å; F131-W170 HydrophobicContact CZ-CH2 4.33Å; L134-W170 HydrophobicContact CD1-CD2 4.33Å; L134-W170 HydrophobicContact CD1-CG 4.26Å; L134-W170 HydrophobicContact CD2-CD2 3.79Å; L134-W170 HydrophobicContact CD2-CE3 3.97Å; L134-W170 HydrophobicContact CD2-CH2 3.74Å; L134-W170 HydrophobicContact CD2-CZ2 3.49Å; L134-W170 VanDerWaalsContact CD2-CZ2 3.49Å; L134-W170 HydrophobicContact CD2-CZ3 3.95Å; I166-W170 VanDerWaalsContact O-CD1 3.28Å; I166-W170 PolarHBondContact O-N 3.39Å; I166-W170 VanDerWaalsContact O-N 3.12Å; G167-W170 PolarHBondContact O-N 3.41Å; F168-W170 VanDerWaalsContact C-N 3.34Å; F168-W170 PolarHBondContact O-N 3.29Å; W170-W172 VanDerWaalsContact C-N 3.32Å; W170-W172 PolarHBondContact O-N 2.72Å; W170-S173 PolarHBondContact O-N 2.88Å; W170-I174 HydrophobicContact CE3-CD1 4.3Å; W170-I174 WeakPolarHBondContact O-CB 3.36Å; W170-I174 WeakPolarHBondContact O-CG1 3.24Å; W170-I174 PolarHBondContact O-N 3.15Å
171I98.5Very high97.7Very high114 Ų11452.5 Ų52.559%0.58527%0.274SS*.Hα-helixtrans-59.4-45.1177.5-68.7165.9000110.4G167 F168 S173 I174 I175G167-I171 VanDerWaalsContact O-CG1 3.29Å; G167-I171 WeakPolarHBondContact O-CG1 3.45Å; G167-I171 PolarHBondContact O-N 2.56Å; F168-I171 PolarHBondContact O-N 3.05Å; I171-S173 VanDerWaalsContact C-N 3.32Å; I171-S173 PolarHBondContact O-N 3.37Å; I171-I174 PolarHBondContact O-N 3.35Å; I171-I175 WeakPolarHBondContact O-CB 3.34Å; I171-I175 WeakPolarHBondContact O-CG2 3.36Å; I171-I175 PolarHBondContact O-N 2.82Å
172W98.1Very high97.7Very high55 Ų5557 Ų5721%0.20829%0.288CS..Hα-helixtrans-60.3-40.9176.6-176.7-82.7000112.2F168 W170 I175 W176 F217 F221F168-W172 HydrophobicContact CE2-CE3 4.34Å; F168-W172 HydrophobicContact CZ-CD2 4.47Å; F168-W172 AromaticContact CZ-CE3 3.85Å; F168-W172 HydrophobicContact CZ-CE3 3.85Å; F168-W172 HydrophobicContact CZ-CZ3 4.48Å; F168-W172 VanDerWaalsContact O-CB 3.27Å; F168-W172 WeakPolarHBondContact O-CB 3.42Å; F168-W172 PolarHBondContact O-N 3.3Å; W170-W172 VanDerWaalsContact C-N 3.32Å; W170-W172 PolarHBondContact O-N 2.72Å; W172-I175 WeakPolarHBondContact O-CG2 3.24Å; W172-W176 AromaticContact CD2-NE1 3.94Å; W172-W176 AromaticContact CE2-CD1 3.98Å; W172-W176 AromaticContact CE2-NE1 3.54Å; W172-W176 AromaticContact CZ2-NE1 3.64Å; W172-W176 AromaticContact NE1-CD1 3.79Å; W172-W176 AromaticContact NE1-NE1 3.84Å; W172-F217 HydrophobicContact CH2-CD1 4.26Å; W172-F217 HydrophobicContact CZ2-CB 3.98Å; W172-F217 HydrophobicContact CZ2-CD1 4.35Å; W172-F217 WeakPolarHBondContact CZ2-O 3.35Å; W172-F217 PolarHBondContact NE1-O 3.48Å; W172-F217 VanDerWaalsContact NE1-O 3.15Å; W172-F221 HydrophobicContact CH2-CD1 4.42Å; W172-F221 HydrophobicContact CH2-CE1 4.42Å; W172-F221 AromaticContact CZ2-CD1 3.94Å; W172-F221 HydrophobicContact CZ2-CD1 3.94Å; W172-F221 HydrophobicContact CZ2-CE1 4.27Å
173S98.3Very high97.5Very high0 Ų059.5 Ų59.50%032%0.317CS..Hα-helixtrans-71.8-37.8-179.4-550000111.7L134 L169 W170 I171 T177L134-S173 WeakPolarHBondContact CA-OG 3.25Å; L134-S173 PolarHBondContact N-OG 2.69Å; L169-S173 WeakPolarHBondContact O-CB 3.34Å; L169-S173 PolarHBondContact O-N 2.84Å; L169-S173 PolarHBondContact O-OG 3.03Å; W170-S173 PolarHBondContact O-N 2.88Å; I171-S173 VanDerWaalsContact C-N 3.32Å; I171-S173 PolarHBondContact O-N 3.37Å; S173-T177 WeakPolarHBondContact O-CG2 3.13Å; S173-T177 PolarHBondContact O-OG1 3.31Å; S173-T177 VanDerWaalsContact O-OG1 3.1Å
174I98.3Very high97.5Very high57 Ų5760.8 Ų60.829%0.29232%0.316SS..Hα-helixtrans-75.3-40-179.1-67.7168.2000112T130 W170 I171 W176 T177 I178T130-I174 HydrophobicContact CG2-CG1 3.91Å; W170-I174 HydrophobicContact CE3-CD1 4.3Å; W170-I174 WeakPolarHBondContact O-CB 3.36Å; W170-I174 WeakPolarHBondContact O-CG1 3.24Å; W170-I174 PolarHBondContact O-N 3.15Å; I171-I174 PolarHBondContact O-N 3.35Å; I174-W176 PolarHBondContact O-N 3.43Å; I174-W176 VanDerWaalsContact O-N 3.15Å; I174-T177 PolarHBondContact O-N 3.39Å; I174-T177 PolarHBondContact O-OG1 2.96Å; I174-I178 HydrophobicContact CG2-CB 4.05Å; I174-I178 HydrophobicContact CG2-CD1 4.08Å; I174-I178 HydrophobicContact CG2-CG2 4.38Å; I174-I178 WeakPolarHBondContact O-CB 3.42Å; I174-I178 WeakPolarHBondContact O-CG2 3.37Å; I174-I178 PolarHBondContact O-N 3.45Å
175I97.3Very high97.4Very high98 Ų9856.3 Ų56.350%0.50329%0.289SS..Hα-helixtrans-59.5-31.7-176.7-163.4173.1000111.9I171 W172 P179I171-I175 WeakPolarHBondContact O-CB 3.34Å; I171-I175 WeakPolarHBondContact O-CG2 3.36Å; I171-I175 PolarHBondContact O-N 2.82Å; W172-I175 WeakPolarHBondContact O-CG2 3.24Å; I175-P179 WeakPolarHBondContact O-CD 3.44Å; I175-P179 WeakPolarHBondContact O-CG 3.36Å
176W96.6Very high97.3Very high63 Ų6357.9 Ų57.924%0.23929%0.291CS..THydrogen-bonded Turntrans-86.5-11.1178.1-65.9118000114.2W172 I174 F210 M214 F217W172-W176 AromaticContact CD2-NE1 3.94Å; W172-W176 AromaticContact CE2-CD1 3.98Å; W172-W176 AromaticContact CE2-NE1 3.54Å; W172-W176 AromaticContact CZ2-NE1 3.64Å; W172-W176 AromaticContact NE1-CD1 3.79Å; W172-W176 AromaticContact NE1-NE1 3.84Å; I174-W176 PolarHBondContact O-N 3.43Å; I174-W176 VanDerWaalsContact O-N 3.15Å; W176-F210 WeakPolarHBondContact O-CE2 3.48Å; W176-M214 HydrophobicContact CB-CG 4.39Å; W176-M214 WeakPolarHBondContact O-CG 3.47Å; W176-F217 HydrophobicContact CD2-CB 3.84Å; W176-F217 AromaticContact CE2-CG 3.77Å; W176-F217 HydrophobicContact CE3-CB 4.37Å; W176-F217 HydrophobicContact CE3-CD2 4.36Å; W176-F217 HydrophobicContact CG-CB 4.39Å; W176-F217 HydrophobicContact CH2-CB 3.96Å; W176-F217 HydrophobicContact CH2-CD1 4.37Å; W176-F217 AromaticContact CH2-CD2 3.12Å; W176-F217 HydrophobicContact CH2-CD2 3.12Å; W176-F217 AromaticContact CH2-CE2 3.59Å; W176-F217 HydrophobicContact CH2-CE2 3.59Å; W176-F217 AromaticContact CH2-CG 3.58Å; W176-F217 HydrophobicContact CH2-CG 3.58Å; W176-F217 HydrophobicContact CH2-CZ 4.37Å; W176-F217 HydrophobicContact CZ2-CB 3.34Å; W176-F217 AromaticContact CZ2-CD1 3.88Å; W176-F217 HydrophobicContact CZ2-CD1 3.88Å; W176-F217 AromaticContact CZ2-CD2 3.38Å; W176-F217 HydrophobicContact CZ2-CD2 3.38Å; W176-F217 HydrophobicContact CZ2-CE2 4.08Å; W176-F217 AromaticContact CZ2-CG 3.25Å; W176-F217 HydrophobicContact CZ2-CG 3.25Å; W176-F217 HydrophobicContact CZ3-CB 4.43Å; W176-F217 AromaticContact CZ3-CD2 3.67Å; W176-F217 HydrophobicContact CZ3-CD2 3.67Å; W176-F217 HydrophobicContact CZ3-CE2 4.29Å; W176-F217 HydrophobicContact CZ3-CG 4.32Å
177T97.8Very high97.2Very high0 Ų056.8 Ų56.80%029%0.285CS..THydrogen-bonded Turntrans-117.2-20.8-175.559.60000113.5F126 A129 T130 F133 S173 I174 P180 Y187F126-T177 WeakPolarHBondContact CD2-O 3.33Å; F126-T177 VanDerWaalsContact CE2-OG1 3.28Å; F126-T177 WeakPolarHBondContact CE2-OG1 3.22Å; A129-T177 HydrophobicContact CB-CG2 3.53Å; T130-T177 WeakPolarHBondContact OG1-CB 3.43Å; T130-T177 PolarHBondContact OG1-OG1 2.88Å; F133-T177 HydrophobicContact CD2-CG2 3.6Å; F133-T177 HydrophobicContact CE2-CG2 3.85Å; S173-T177 WeakPolarHBondContact O-CG2 3.13Å; S173-T177 PolarHBondContact O-OG1 3.31Å; S173-T177 VanDerWaalsContact O-OG1 3.1Å; I174-T177 PolarHBondContact O-N 3.39Å; I174-T177 PolarHBondContact O-OG1 2.96Å; T177-P180 WeakPolarHBondContact O-CD 3.28Å; T177-Y187 PolarHBondContact O-OH 2.87Å
178I98Very high97.1Very high57 Ų5755.4 Ų55.429%0.29227%0.271SS..SBendtrans-74.3-24.6177.4-149.8175.5000116.2F126 I174 P180 F181 F182F126-I178 HydrophobicContact CE2-CB 4.18Å; F126-I178 HydrophobicContact CE2-CG1 4.33Å; I174-I178 HydrophobicContact CG2-CB 4.05Å; I174-I178 HydrophobicContact CG2-CD1 4.08Å; I174-I178 HydrophobicContact CG2-CG2 4.38Å; I174-I178 WeakPolarHBondContact O-CB 3.42Å; I174-I178 WeakPolarHBondContact O-CG2 3.37Å; I174-I178 PolarHBondContact O-N 3.45Å; I178-P180 VanDerWaalsContact C-N 3.33Å; I178-P180 VanDerWaalsContact O-N 3.1Å; I178-F181 HydrophobicContact CG1-CD2 4.14Å; I178-F181 PolarHBondContact O-N 3.48Å; I178-F182 HydrophobicContact CD1-CE2 3.97Å; I178-F182 HydrophobicContact CD1-CZ 4.44Å; I178-F182 HydrophobicContact CG1-CE2 3.82Å; I178-F182 HydrophobicContact CG2-CE2 4.2Å
179P97.8Very high97Very high26 Ų2649.7 Ų49.717%0.16925%0.245CC..G310 helixtrans-51.2-34.5-174.5-28.134.9000117.3I175 F181 F182 G183 F184 F210I175-P179 WeakPolarHBondContact O-CD 3.44Å; I175-P179 WeakPolarHBondContact O-CG 3.36Å; P179-F181 PolarHBondContact O-N 3.48Å; P179-F181 VanDerWaalsContact O-N 3.17Å; P179-F182 CarbonylContact O-C 3.58Å; P179-F182 WeakPolarHBondContact O-CA 3.46Å; P179-F182 PolarHBondContact O-N 3.19Å; P179-G183 PolarHBondContact O-N 3.44Å; P179-F184 CarbonylContact C-O 3.43Å; P179-F184 HydrophobicContact CB-CB 4.02Å; P179-F184 HydrophobicContact CB-CD1 4.15Å; P179-F184 WeakPolarHBondContact CB-O 3.4Å; P179-F184 PolarHBondContact O-N 2.87Å; P179-F210 HydrophobicContact CB-CD2 3.93Å; P179-F210 HydrophobicContact CB-CE2 4.02Å; P179-F210 HydrophobicContact CG-CD2 4.11Å; P179-F210 HydrophobicContact CG-CE2 4Å
180P96.9Very high96.8Very high14 Ų1449.3 Ų49.39%0.09124%0.243CC..G310 helixtrans-56.9-29.3176.4-3341.3000115T177 I178 F182 G183 Y187 F210T177-P180 WeakPolarHBondContact O-CD 3.28Å; I178-P180 VanDerWaalsContact C-N 3.33Å; I178-P180 VanDerWaalsContact O-N 3.1Å; P180-F182 PolarHBondContact O-N 2.94Å; P180-G183 PolarHBondContact O-N 2.89Å; P180-Y187 HydrophobicContact CB-CD2 3.62Å; P180-Y187 HydrophobicContact CB-CE2 3.56Å; P180-Y187 HydrophobicContact CB-CG 4.47Å; P180-Y187 HydrophobicContact CG-CD2 4.07Å; P180-Y187 HydrophobicContact CG-CE2 3.62Å; P180-F210 VanDerWaalsContact CD-CE2 3.5Å; P180-F210 HydrophobicContact CG-CD1 4.11Å; P180-F210 HydrophobicContact CG-CD2 4.49Å; P180-F210 HydrophobicContact CG-CE1 3.3Å; P180-F210 HydrophobicContact CG-CE2 3.81Å; P180-F210 HydrophobicContact CG-CZ 3.16Å
181F96.6Very high96.5Very high79 Ų7945.8 Ų45.835%0.34623%0.23SC..G310 helixtrans-71-12.5175.9-68-75.1000113.2Q122 L123 F126 I178 P179 Y187Q122-F181 HydrophobicContact CB-CE1 4.07Å; Q122-F181 HydrophobicContact CB-CZ 4.34Å; L123-F181 HydrophobicContact CD2-CZ 4.32Å; F126-F181 HydrophobicContact CB-CE2 3.67Å; F126-F181 HydrophobicContact CB-CZ 3.88Å; F126-F181 HydrophobicContact CD1-CE2 4.03Å; F126-F181 HydrophobicContact CD1-CZ 4.37Å; F126-F181 HydrophobicContact CD2-CD2 4.47Å; F126-F181 AromaticContact CD2-CE2 3.71Å; F126-F181 HydrophobicContact CD2-CE2 3.71Å; F126-F181 HydrophobicContact CE2-CE2 4.34Å; F126-F181 AromaticContact CG-CE2 3.53Å; F126-F181 HydrophobicContact CG-CE2 3.53Å; F126-F181 HydrophobicContact CG-CZ 4.08Å; I178-F181 HydrophobicContact CG1-CD2 4.14Å; I178-F181 PolarHBondContact O-N 3.48Å; P179-F181 PolarHBondContact O-N 3.48Å; P179-F181 VanDerWaalsContact O-N 3.17Å; F181-Y187 HydrophobicContact CE2-CE2 4.03Å; F181-Y187 HydrophobicContact CZ-CE2 4.46Å
182F96.2Very high96.3Very high159 Ų15940.5 Ų40.570%0.69720%0.203SC*.G310 helixtrans-112.816.9178.6-55.5-77.1000112.2I178 P179 P180 F184I178-F182 HydrophobicContact CD1-CE2 3.97Å; I178-F182 HydrophobicContact CD1-CZ 4.44Å; I178-F182 HydrophobicContact CG1-CE2 3.82Å; I178-F182 HydrophobicContact CG2-CE2 4.2Å; P179-F182 CarbonylContact O-C 3.58Å; P179-F182 WeakPolarHBondContact O-CA 3.46Å; P179-F182 PolarHBondContact O-N 3.19Å; P180-F182 PolarHBondContact O-N 2.94Å; F182-F184 VanDerWaalsContact C-N 3.34Å; F182-F184 PolarHBondContact O-N 3.36Å
183G92.6Very high96.2Very high62 Ų6238 Ų3864%0.63919%0.193SC*.THydrogen-bonded Turntrans80.47.6177.300000115.2P179 P180P179-G183 PolarHBondContact O-N 3.44Å; P180-G183 PolarHBondContact O-N 2.89Å
184F95.6Very high96Very high86 Ų8638 Ų3838%0.37719%0.193SC..SBendtrans-101.794.1175.7-163.6-89.2000110.3P179 F182 P206 L209 F210P179-F184 CarbonylContact C-O 3.43Å; P179-F184 HydrophobicContact CB-CB 4.02Å; P179-F184 HydrophobicContact CB-CD1 4.15Å; P179-F184 WeakPolarHBondContact CB-O 3.4Å; P179-F184 PolarHBondContact O-N 2.87Å; F182-F184 VanDerWaalsContact C-N 3.34Å; F182-F184 PolarHBondContact O-N 3.36Å; F184-P206 HydrophobicContact CD2-CB 4.25Å; F184-P206 HydrophobicContact CE2-CB 4.37Å; F184-L209 HydrophobicContact CE1-CB 3.98Å; F184-L209 HydrophobicContact CZ-CB 3.6Å; F184-L209 HydrophobicContact CZ-CD1 4Å; F184-L209 HydrophobicContact CZ-CG 4.47Å; F184-F210 HydrophobicContact CD1-CB 3.89Å; F184-F210 HydrophobicContact CE1-CB 3.92Å
185G95.7Very high95.9Very high6 Ų635.2 Ų35.26%0.06218%0.179CC..SBendtrans82.6-175.2-164.500000111.7
186R96.1Very high95.8Very high75 Ų7530.6 Ų30.628%0.28316%0.155SC..  trans-156.8155.2-178.359-174.180.2109.1-0111.7I31 V188 F198 D199 S202 D204I31-R186 HydrophobicContact CD1-CB 4.48Å; R186-V188 HydrophobicContact CB-CG1 4.46Å; R186-V188 HydrophobicContact CG-CG1 3.73Å; R186-F198 WeakPolarHBondContact O-CA 3.35Å; R186-D199 WeakPolarHBondContact CD-OD2 3.41Å; R186-D199 HydrophobicContact CG-CB 3.46Å; R186-D199 VanDerWaalsContact CG-CB 3.46Å; R186-D199 WeakPolarHBondContact CG-OD2 3.35Å; R186-D199 IonicContact CZ-OD2 3.59Å; R186-D199 IonicContact NE-OD2 3.68Å; R186-D199 IonicContact NH1-OD2 3.42Å; R186-D199 PolarHBondContact NH1-OD2 3.18Å; R186-D199 PolarHBondContact O-N 3.39Å; R186-S202 PolarHBondContact NH1-OG 3.24Å; R186-D204 IonicContact CZ-OD1 3.72Å; R186-D204 IonicContact NH1-OD1 3.91Å; R186-D204 PolarHBondContact NH1-OD1 2.64Å; R186-D204 VanDerWaalsContact NH1-OD1 3.14Å; R186-D204 IonicContact NH2-OD1 2.86Å; R186-D204 PolarHBondContact NH2-OD1 2.88Å; R186-D204 IonicContact NH2-OD2 3.14Å
187Y97.3Very high95.8Very high8 Ų827.9 Ų27.93%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-97.6133.3168-71.3-68000110Q122 F126 T177 P180 F181 T197 F198Q122-Y187 HydrophobicContact CB-CD2 4.5Å; F126-Y187 WeakPolarHBondContact CA-OH 3.36Å; F126-Y187 HydrophobicContact CB-CD2 4.41Å; F126-Y187 HydrophobicContact CB-CE2 3.7Å; F126-Y187 HydrophobicContact CD2-CE2 4.49Å; T177-Y187 PolarHBondContact O-OH 2.87Å; P180-Y187 HydrophobicContact CB-CD2 3.62Å; P180-Y187 HydrophobicContact CB-CE2 3.56Å; P180-Y187 HydrophobicContact CB-CG 4.47Å; P180-Y187 HydrophobicContact CG-CD2 4.07Å; P180-Y187 HydrophobicContact CG-CE2 3.62Å; F181-Y187 HydrophobicContact CE2-CE2 4.03Å; F181-Y187 HydrophobicContact CZ-CE2 4.46Å; Y187-T197 CarbonylContact C-O 3.55Å; Y187-T197 VanDerWaalsContact CA-O 3.25Å; Y187-T197 WeakPolarHBondContact CA-O 3.36Å; Y187-T197 WeakPolarHBondContact CD1-O 3.36Å; Y187-F198 HydrophobicContact CD1-CB 4.31Å; Y187-F198 HydrophobicContact CE1-CB 4.1Å
188V96.3Very high95.7Very high2 Ų228.8 Ų28.81%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-140.2161.8-168.1-57.40000111I31 L33 R186 C196 T197 D199I31-V188 HydrophobicContact CB-CB 4.4Å; I31-V188 HydrophobicContact CB-CG1 3.93Å; I31-V188 HydrophobicContact CG2-CB 4.33Å; I31-V188 HydrophobicContact CG2-CG1 3.64Å; L33-V188 HydrophobicContact CD1-CB 4.43Å; L33-V188 HydrophobicContact CD1-CG2 3.82Å; L33-V188 HydrophobicContact CD2-CG1 4.17Å; L33-V188 HydrophobicContact CG-CB 4.22Å; L33-V188 HydrophobicContact CG-CG1 4.31Å; L33-V188 HydrophobicContact CG-CG2 4.16Å; R186-V188 HydrophobicContact CB-CG1 4.46Å; R186-V188 HydrophobicContact CG-CG1 3.73Å; V188-C196 CarbonylContact O-C 3.45Å; V188-C196 WeakPolarHBondContact O-CA 3.29Å; V188-C196 WeakPolarHBondContact O-CB 3.49Å; V188-T197 PolarHBondContact N-O 3.3Å; V188-T197 PolarHBondContact O-N 3.48Å; V188-D199 HydrophobicContact CG1-CB 3.95Å; V188-D199 HydrophobicContact CG2-CB 4.12Å
189L95.6Very high95.6Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-69.6143.4166.3-69.5168.2000110.7I25 I30 I31 M32 W36 W114 C196I25-L189 HydrophobicContact CD1-CD1 4.05Å; I30-L189 HydrophobicContact CD1-CD1 3.67Å; I30-L189 HydrophobicContact CD1-CD2 4.12Å; I30-L189 HydrophobicContact CD1-CG 3.98Å; I30-L189 HydrophobicContact CG1-CD1 3.82Å; I30-L189 HydrophobicContact CG1-CG 4.04Å; I31-L189 PolarHBondContact O-N 3.17Å; M32-L189 HydrophobicContact CB-CD1 4.36Å; M32-L189 HydrophobicContact CE-CD1 4.32Å; W36-L189 PolarHBondContact NE1-O 2.86Å; W114-L189 HydrophobicContact CB-CD2 3.47Å; W114-L189 VanDerWaalsContact CB-CD2 3.47Å; W114-L189 HydrophobicContact CD2-CD2 4.46Å; W114-L189 HydrophobicContact CG-CD2 3.83Å; L189-C196 VanDerWaalsContact CD2-SG 3.52Å
190E94.6Very high95.5Very high1 Ų125.1 Ų25.11%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-132.4168.9176.574.3176.5138.800113.1Y192 Q193 S195 T197 Y200 Y288 H312E190-Y192 PolarHBondContact O-N 3.25Å; E190-Y192 VanDerWaalsContact O-N 3.14Å; E190-Q193 VanDerWaalsContact C-NE2 3.32Å; E190-Q193 WeakPolarHBondContact O-CA 3.46Å; E190-Q193 PolarHBondContact O-N 3.46Å; E190-Q193 PolarHBondContact O-NE2 3.26Å; E190-S195 PolarHBondContact N-O 2.81Å; E190-T197 HydrophobicContact CB-CG2 3.66Å; E190-T197 HydrophobicContact CG-CG2 3.74Å; E190-T197 WeakPolarHBondContact OE1-CB 3.49Å; E190-T197 VanDerWaalsContact OE1-CG2 3.26Å; E190-T197 WeakPolarHBondContact OE1-CG2 3.45Å; E190-T197 WeakPolarHBondContact OE2-CG2 3.37Å; E190-Y200 PolarHBondContact OE2-OH 2.87Å; E190-Y288 PolarHBondContact OE1-OH 3.15Å; E190-Y288 WeakPolarHBondContact OE2-CE2 3.33Å; E190-Y288 PolarHBondContact OE2-OH 2.87Å; E190-H312 IonicContact OE1-CD2 2.98Å; E190-H312 IonicContact OE1-CE1 3.38Å; E190-H312 PolarHBondContact OE1-CE1 2.95Å; E190-H312 IonicContact OE1-CG 2.87Å; E190-H312 IonicContact OE1-ND1 2.74Å; E190-H312 PolarHBondContact OE1-ND1 2.93Å; E190-H312 IonicContact OE1-NE2 3.99Å
191G92.9Very high95.5Very high0 Ų025.1 Ų25.10%013%0.128CC..THydrogen-bonded Turntrans55.3-119166.900000111.7Q193 E309G191-Q193 PolarHBondContact O-N 3.44Å; G191-Q193 PolarHBondContact O-NE2 3.29Å; G191-E309 WeakPolarHBondContact CA-OE2 3.46Å
192Y94.6Very high95.4Very high3 Ų322.6 Ų22.61%0.01212%0.12CC..THydrogen-bonded Turntrans-76.45.8179.8-68.70.5000113.9P42 V50 E190 T194 P305 T306 E309 M310P42-Y192 HydrophobicContact CB-CD1 4.35Å; P42-Y192 HydrophobicContact CB-CD2 4.48Å; P42-Y192 HydrophobicContact CB-CE1 3.92Å; P42-Y192 HydrophobicContact CB-CE2 4.06Å; P42-Y192 HydrophobicContact CG-CD1 3.71Å; P42-Y192 HydrophobicContact CG-CD2 3.68Å; P42-Y192 HydrophobicContact CG-CE1 3.79Å; P42-Y192 HydrophobicContact CG-CE2 3.76Å; P42-Y192 HydrophobicContact CG-CG 3.66Å; V50-Y192 HydrophobicContact CG2-CE2 4.49Å; E190-Y192 PolarHBondContact O-N 3.25Å; E190-Y192 VanDerWaalsContact O-N 3.14Å; Y192-T194 PolarHBondContact O-N 3.01Å; Y192-P305 HydrophobicContact CD1-CB 3.96Å; Y192-P305 HydrophobicContact CE1-CB 4.13Å; Y192-T306 PolarHBondContact OH-OG1 3.46Å; Y192-T306 VanDerWaalsContact OH-OG1 3.05Å; Y192-E309 HydrophobicContact CD1-CB 3.83Å; Y192-E309 HydrophobicContact CD1-CG 3.86Å; Y192-E309 HydrophobicContact CD2-CG 3.72Å; Y192-E309 HydrophobicContact CE1-CB 3.97Å; Y192-E309 HydrophobicContact CE1-CG 4.16Å; Y192-E309 HydrophobicContact CE2-CG 4.03Å; Y192-E309 HydrophobicContact CG-CB 4.14Å; Y192-E309 HydrophobicContact CG-CG 3.63Å; Y192-E309 PolarHBondContact N-OE2 3.35Å; Y192-M310 HydrophobicContact CE2-CE 4.21Å; Y192-M310 WeakPolarHBondContact OH-CE 3.36Å
193Q94.6Very high95.2Very high1 Ų119.8 Ų19.81%0.00511%0.113CC..THydrogen-bonded Turntrans62.229.9-179.2-47.7-59.2-60.100113F18 M32 Y113 W114 E190 G191F18-Q193 HydrophobicContact CB-CG 4.45Å; F18-Q193 HydrophobicContact CD1-CB 4.05Å; F18-Q193 HydrophobicContact CD1-CG 3.29Å; F18-Q193 HydrophobicContact CD2-CG 4.31Å; F18-Q193 HydrophobicContact CE1-CB 4.01Å; F18-Q193 HydrophobicContact CE1-CG 3.41Å; F18-Q193 VanDerWaalsContact CE1-CG 3.41Å; F18-Q193 HydrophobicContact CE2-CG 4.39Å; F18-Q193 HydrophobicContact CG-CG 3.79Å; F18-Q193 HydrophobicContact CZ-CG 3.98Å; M32-Q193 HydrophobicContact CE-CB 4.3Å; M32-Q193 HydrophobicContact CE-CG 3.99Å; Y113-Q193 CarbonylContact C-O 3.56Å; W114-Q193 PolarHBondContact N-O 3.31Å; E190-Q193 VanDerWaalsContact C-NE2 3.32Å; E190-Q193 WeakPolarHBondContact O-CA 3.46Å; E190-Q193 PolarHBondContact O-N 3.46Å; E190-Q193 PolarHBondContact O-NE2 3.26Å; G191-Q193 PolarHBondContact O-N 3.44Å; G191-Q193 PolarHBondContact O-NE2 3.29Å
194T94.6Very high95.2Very high0 Ų019.5 Ų19.50%010%0.096CC..THydrogen-bonded Turntrans-121.48.1-179.952.10000112.3K105 A108 Y192K105-T194 WeakPolarHBondContact CD-O 3.18Å; K105-T194 PolarHBondContact NZ-O 2.9Å; K105-T194 PolarHBondContact NZ-OG1 3.4Å; A108-T194 WeakPolarHBondContact CB-O 3.39Å; A108-T194 VanDerWaalsContact O-CG2 3.29Å; A108-T194 WeakPolarHBondContact O-CG2 3.49Å; Y192-T194 PolarHBondContact O-N 3.01Å
195S95.4Very high95.2Very high0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-149.5163.3173.332.20000110K105 E190K105-S195 PolarHBondContact NZ-OG 3.1Å; E190-S195 PolarHBondContact N-O 2.81Å
196C96Very high95.2Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-120.2153.5176.4-60.20000112.4C121 Y124 V188 L189C121-C196 WeakPolarHBondContact CA-SG 3.41Å; C121-C196 HydrophobicContact CB-CB 3.99Å; C121-C196 WeakPolarHBondContact CB-SG 3.38Å; C121-C196 WeakPolarHBondContact O-CB 3.02Å; C121-C196 WeakPolarHBondContact SG-CB 3.23Å; C121-C196 CovalentContact SG-SG 2.02Å; C121-C196 PolarHBondContact SG-SG 3.22Å; Y124-C196 HydrophobicContact CD1-CB 4.1Å; Y124-C196 WeakPolarHBondContact CD1-O 3.48Å; Y124-C196 WeakPolarHBondContact CE1-O 3.28Å; V188-C196 CarbonylContact O-C 3.45Å; V188-C196 WeakPolarHBondContact O-CA 3.29Å; V188-C196 WeakPolarHBondContact O-CB 3.49Å; L189-C196 VanDerWaalsContact CD2-SG 3.52Å
197T96.4Very high95.1Very high6 Ų620 Ų204%0.03711%0.108CC..EExtended strand (participates in β ladder)trans-155.6-179.7-179.5-170.20000109.7Y187 V188 E190 Y200 Y288Y187-T197 CarbonylContact C-O 3.55Å; Y187-T197 VanDerWaalsContact CA-O 3.25Å; Y187-T197 WeakPolarHBondContact CA-O 3.36Å; Y187-T197 WeakPolarHBondContact CD1-O 3.36Å; V188-T197 PolarHBondContact N-O 3.3Å; V188-T197 PolarHBondContact O-N 3.48Å; E190-T197 HydrophobicContact CB-CG2 3.66Å; E190-T197 HydrophobicContact CG-CG2 3.74Å; E190-T197 WeakPolarHBondContact OE1-CB 3.49Å; E190-T197 VanDerWaalsContact OE1-CG2 3.26Å; E190-T197 WeakPolarHBondContact OE1-CG2 3.45Å; E190-T197 WeakPolarHBondContact OE2-CG2 3.37Å; T197-Y200 HydrophobicContact CG2-CD1 4.27Å; T197-Y200 HydrophobicContact CG2-CE1 3.66Å; T197-Y288 WeakPolarHBondContact CB-OH 3.29Å; T197-Y288 PolarHBondContact OG1-OH 2.86Å
198F96.4Very high95.1Very high19 Ų1922.6 Ų22.68%0.08312%0.121CC..EExtended strand (participates in β ladder)trans-73.3149.1172.560.1-90.7000112.5R186 Y187 Y200 F210 S211 M214 C292R186-F198 WeakPolarHBondContact O-CA 3.35Å; Y187-F198 HydrophobicContact CD1-CB 4.31Å; Y187-F198 HydrophobicContact CE1-CB 4.1Å; F198-Y200 HydrophobicContact CD2-CD1 4.21Å; F198-Y200 HydrophobicContact CE2-CD1 4.07Å; F198-Y200 HydrophobicContact CE2-CG 4.46Å; F198-Y200 HydrophobicContact CZ-CD1 4.5Å; F198-Y200 VanDerWaalsContact O-CD1 3.23Å; F198-Y200 WeakPolarHBondContact O-CD1 3.44Å; F198-Y200 PolarHBondContact O-N 3.06Å; F198-F210 HydrophobicContact CB-CE1 3.66Å; F198-F210 HydrophobicContact CB-CZ 4.38Å; F198-S211 WeakPolarHBondContact CD2-OG 3.41Å; F198-M214 HydrophobicContact CB-CE 3.59Å; F198-M214 HydrophobicContact CD1-CE 3.67Å; F198-M214 HydrophobicContact CD1-SD 4.12Å; F198-M214 HydrophobicContact CD2-CE 3.2Å; F198-M214 HydrophobicContact CE1-CE 4.06Å; F198-M214 HydrophobicContact CE1-SD 4.44Å; F198-M214 HydrophobicContact CE2-CE 3.61Å; F198-M214 HydrophobicContact CG-CE 3.21Å; F198-M214 HydrophobicContact CG-SD 4.2Å; F198-M214 HydrophobicContact CZ-CE 4.02Å; F198-C292 HydrophobicContact CZ-CB 4.4Å
199D96.3Very high95.1Very high1 Ų127 Ų271%0.00515%0.145CC..  trans-71.492.4177.2-172.1-5.1000112.2L33 R186 V188 I201 S202 S211L33-D199 WeakPolarHBondContact CD2-OD2 3.21Å; R186-D199 WeakPolarHBondContact CD-OD2 3.41Å; R186-D199 HydrophobicContact CG-CB 3.46Å; R186-D199 VanDerWaalsContact CG-CB 3.46Å; R186-D199 WeakPolarHBondContact CG-OD2 3.35Å; R186-D199 IonicContact CZ-OD2 3.59Å; R186-D199 IonicContact NE-OD2 3.68Å; R186-D199 IonicContact NH1-OD2 3.42Å; R186-D199 PolarHBondContact NH1-OD2 3.18Å; R186-D199 PolarHBondContact O-N 3.39Å; V188-D199 HydrophobicContact CG1-CB 3.95Å; V188-D199 HydrophobicContact CG2-CB 4.12Å; D199-I201 PolarHBondContact OD1-N 3.12Å; D199-S202 VanDerWaalsContact CG-OG 3.26Å; D199-S202 WeakPolarHBondContact OD1-CB 3.49Å; D199-S202 PolarHBondContact OD1-N 3.31Å; D199-S202 PolarHBondContact OD1-OG 3.45Å; D199-S202 WeakPolarHBondContact OD2-CB 3.39Å; D199-S202 PolarHBondContact OD2-OG 3.45Å; D199-S211 PolarHBondContact O-OG 3.43Å
200Y95.6Very high95.1Very high6 Ų627.3 Ų27.32%0.02415%0.146CC..  trans-87.1-5.5170.752.2-103.5000113.6E190 T197 F198 Y288 V291 S295 L303E190-Y200 PolarHBondContact OE2-OH 2.87Å; T197-Y200 HydrophobicContact CG2-CD1 4.27Å; T197-Y200 HydrophobicContact CG2-CE1 3.66Å; F198-Y200 HydrophobicContact CD2-CD1 4.21Å; F198-Y200 HydrophobicContact CE2-CD1 4.07Å; F198-Y200 HydrophobicContact CE2-CG 4.46Å; F198-Y200 HydrophobicContact CZ-CD1 4.5Å; F198-Y200 VanDerWaalsContact O-CD1 3.23Å; F198-Y200 WeakPolarHBondContact O-CD1 3.44Å; F198-Y200 PolarHBondContact O-N 3.06Å; Y200-Y288 HydrophobicContact CE1-CE2 4.42Å; Y200-Y288 WeakPolarHBondContact CE1-OH 3.28Å; Y200-V291 HydrophobicContact CE2-CG1 4.19Å; Y200-S295 WeakPolarHBondContact O-CB 3.46Å; Y200-S295 PolarHBondContact O-OG 2.77Å; Y200-L303 HydrophobicContact CD2-CD1 4.49Å; Y200-L303 HydrophobicContact CE2-CD1 4.15Å
201I96.2Very high95.2Very high13 Ų1327.4 Ų27.47%0.06715%0.146CC..SBendtrans-92.9-39.9-172.5-62.4-73.1000111.9L33 H35 W36 D199 N203 S295 L303L33-I201 HydrophobicContact CD1-CB 3.66Å; L33-I201 HydrophobicContact CD1-CG1 3.79Å; L33-I201 HydrophobicContact CD1-CG2 4.23Å; H35-I201 HydrophobicContact CB-CG2 3.77Å; W36-I201 HydrophobicContact CH2-CD1 4.49Å; W36-I201 HydrophobicContact CZ2-CD1 4.09Å; W36-I201 HydrophobicContact CZ2-CG1 4.27Å; D199-I201 PolarHBondContact OD1-N 3.12Å; I201-N203 PolarHBondContact O-N 2.67Å; I201-S295 WeakPolarHBondContact CA-OG 3.26Å; I201-L303 HydrophobicContact CD1-CD1 3.88Å
202S94.4Very high95.4Very high26 Ų2628.1 Ų28.118%0.18215%0.154CC..  trans-67.8130-175.7-66.20000111.4R186 D199 D204R186-S202 PolarHBondContact NH1-OG 3.24Å; D199-S202 VanDerWaalsContact CG-OG 3.26Å; D199-S202 WeakPolarHBondContact OD1-CB 3.49Å; D199-S202 PolarHBondContact OD1-N 3.31Å; D199-S202 PolarHBondContact OD1-OG 3.45Å; D199-S202 WeakPolarHBondContact OD2-CB 3.39Å; D199-S202 PolarHBondContact OD2-OG 3.45Å; S202-D204 VanDerWaalsContact C-N 3.3Å
203N92Very high95.5Very high101 Ų10128.4 Ų28.454%0.5416%0.158SC..  trans-90.611178.2-65.7-34.6000113I201I201-N203 PolarHBondContact O-N 2.67Å
204D93.8Very high95.6Very high56 Ų5628.3 Ų28.330%0.29916%0.157SC..SBendtrans-66.9146.7169.965.9-132.1000110.4R186 S202 P206 S207 L208R186-D204 IonicContact CZ-OD1 3.72Å; R186-D204 IonicContact NH1-OD1 3.91Å; R186-D204 PolarHBondContact NH1-OD1 2.64Å; R186-D204 VanDerWaalsContact NH1-OD1 3.14Å; R186-D204 IonicContact NH2-OD1 2.86Å; R186-D204 PolarHBondContact NH2-OD1 2.88Å; R186-D204 IonicContact NH2-OD2 3.14Å; S202-D204 VanDerWaalsContact C-N 3.3Å; D204-P206 WeakPolarHBondContact OD2-CD 3.48Å; D204-S207 PolarHBondContact O-N 2.93Å; D204-S207 PolarHBondContact OD1-OG 2.83Å; D204-S207 WeakPolarHBondContact OD2-CB 3.28Å; D204-S207 PolarHBondContact OD2-N 3.26Å; D204-S207 PolarHBondContact OD2-OG 3.35Å; D204-L208 WeakPolarHBondContact O-CB 3.13Å; D204-L208 PolarHBondContact O-N 3.31Å
205M94.6Very high95.8Very high126 Ų12629.7 Ų29.762%0.62116%0.163SC*.Hα-helixtrans-56.8-43.3-172.7-170.467.574.900113.2S207 L208 L209M205-S207 PolarHBondContact O-N 2.93Å; M205-L208 PolarHBondContact O-N 3.48Å; M205-L209 HydrophobicContact CG-CD1 3.79Å; M205-L209 HydrophobicContact CG-CG 4.16Å; M205-L209 WeakPolarHBondContact O-CB 3.26Å; M205-L209 VanDerWaalsContact O-CG 3.28Å; M205-L209 WeakPolarHBondContact O-CG 3.31Å; M205-L209 PolarHBondContact O-N 3.19Å; M205-L209 HydrophobicContact SD-CD1 4.11Å; M205-L209 HydrophobicContact SD-CD2 4.42Å; M205-L209 HydrophobicContact SD-CG 4.01Å
206P95.7Very high95.9Very high52 Ų5234.1 Ų34.134%0.33819%0.185SC..Hα-helixtrans-60.3-45.3177.2-24.435.5000113.3F184 D204 F210F184-P206 HydrophobicContact CD2-CB 4.25Å; F184-P206 HydrophobicContact CE2-CB 4.37Å; D204-P206 WeakPolarHBondContact OD2-CD 3.48Å; P206-F210 WeakPolarHBondContact O-CB 3.49Å; P206-F210 PolarHBondContact O-N 3.3Å
207S94.8Very high95.9Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-68.8-39.7-179.9-52.70000111.5D204 M205 F210 S211D204-S207 PolarHBondContact O-N 2.93Å; D204-S207 PolarHBondContact OD1-OG 2.83Å; D204-S207 WeakPolarHBondContact OD2-CB 3.28Å; D204-S207 PolarHBondContact OD2-N 3.26Å; D204-S207 PolarHBondContact OD2-OG 3.35Å; M205-S207 PolarHBondContact O-N 2.93Å; S207-F210 PolarHBondContact O-N 2.94Å; S207-S211 VanDerWaalsContact O-CB 3.24Å; S207-S211 WeakPolarHBondContact O-CB 3.3Å; S207-S211 PolarHBondContact O-N 3.46Å; S207-S211 PolarHBondContact O-OG 3.24Å
208L95.6Very high95.9Very high61 Ų6137.7 Ų37.732%0.31920%0.2SC..Hα-helixtrans-64.9-46.6177.7-175.765.1000111.9D204 M205 G212 I296D204-L208 WeakPolarHBondContact O-CB 3.13Å; D204-L208 PolarHBondContact O-N 3.31Å; M205-L208 PolarHBondContact O-N 3.48Å; L208-G212 WeakPolarHBondContact O-CA 3.43Å; L208-G212 PolarHBondContact O-N 3.19Å; L208-I296 HydrophobicContact CD1-CG2 4.03Å
209L96.3Very high95.9Very high96 Ų9637.5 Ų37.550%0.50320%0.2SC..Hα-helixtrans-65.4-40.7177.8-71.7176.8000111.6F184 M205 G213F184-L209 HydrophobicContact CE1-CB 3.98Å; F184-L209 HydrophobicContact CZ-CB 3.6Å; F184-L209 HydrophobicContact CZ-CD1 4Å; F184-L209 HydrophobicContact CZ-CG 4.47Å; M205-L209 HydrophobicContact CG-CD1 3.79Å; M205-L209 HydrophobicContact CG-CG 4.16Å; M205-L209 WeakPolarHBondContact O-CB 3.26Å; M205-L209 VanDerWaalsContact O-CG 3.28Å; M205-L209 WeakPolarHBondContact O-CG 3.31Å; M205-L209 PolarHBondContact O-N 3.19Å; M205-L209 HydrophobicContact SD-CD1 4.11Å; M205-L209 HydrophobicContact SD-CD2 4.42Å; M205-L209 HydrophobicContact SD-CG 4.01Å; L209-G213 PolarHBondContact O-N 3.12Å
210F97.1Very high95.9Very high6 Ų640.8 Ų40.83%0.02622%0.216CC..Hα-helixtrans-62.5-54176.2174-120.1000112W176 P179 P180 F184 F198 P206 S207 G213 M214W176-F210 WeakPolarHBondContact O-CE2 3.48Å; P179-F210 HydrophobicContact CB-CD2 3.93Å; P179-F210 HydrophobicContact CB-CE2 4.02Å; P179-F210 HydrophobicContact CG-CD2 4.11Å; P179-F210 HydrophobicContact CG-CE2 4Å; P180-F210 VanDerWaalsContact CD-CE2 3.5Å; P180-F210 HydrophobicContact CG-CD1 4.11Å; P180-F210 HydrophobicContact CG-CD2 4.49Å; P180-F210 HydrophobicContact CG-CE1 3.3Å; P180-F210 HydrophobicContact CG-CE2 3.81Å; P180-F210 HydrophobicContact CG-CZ 3.16Å; F184-F210 HydrophobicContact CD1-CB 3.89Å; F184-F210 HydrophobicContact CE1-CB 3.92Å; F198-F210 HydrophobicContact CB-CE1 3.66Å; F198-F210 HydrophobicContact CB-CZ 4.38Å; P206-F210 WeakPolarHBondContact O-CB 3.49Å; P206-F210 PolarHBondContact O-N 3.3Å; S207-F210 PolarHBondContact O-N 2.94Å; F210-G213 PolarHBondContact O-N 2.8Å; F210-M214 HydrophobicContact CD1-CE 3.64Å; F210-M214 HydrophobicContact CD2-CE 4.28Å; F210-M214 HydrophobicContact CE1-CE 3.21Å; F210-M214 HydrophobicContact CE1-SD 3.99Å; F210-M214 HydrophobicContact CE2-CE 3.86Å; F210-M214 HydrophobicContact CE2-CG 4.04Å; F210-M214 HydrophobicContact CE2-SD 3.79Å; F210-M214 HydrophobicContact CG-CE 4.17Å; F210-M214 HydrophobicContact CZ-CE 3.3Å; F210-M214 HydrophobicContact CZ-CG 4.26Å; F210-M214 HydrophobicContact CZ-SD 3.41Å; F210-M214 WeakPolarHBondContact CZ-SD 3.29Å; F210-M214 PolarHBondContact O-N 3.38Å
211S96.8Very high95.9Very high2 Ų245.5 Ų45.51%0.01424%0.237CC..Hα-helixtrans-65.1-41.2-179.2-68.60000112.2F198 D199 S207 M214 Y215F198-S211 WeakPolarHBondContact CD2-OG 3.41Å; D199-S211 PolarHBondContact O-OG 3.43Å; S207-S211 VanDerWaalsContact O-CB 3.24Å; S207-S211 WeakPolarHBondContact O-CB 3.3Å; S207-S211 PolarHBondContact O-N 3.46Å; S207-S211 PolarHBondContact O-OG 3.24Å; S211-M214 PolarHBondContact O-N 3.23Å; S211-Y215 WeakPolarHBondContact O-CB 3.41Å; S211-Y215 PolarHBondContact O-N 3.17Å
212G96.9Very high95.9Very high15 Ų1545 Ų4516%0.15523%0.234CC..Hα-helixtrans-63.3-42.117300000112.6L208 Y215 I216L208-G212 WeakPolarHBondContact O-CA 3.43Å; L208-G212 PolarHBondContact O-N 3.19Å; G212-Y215 PolarHBondContact O-N 2.65Å; G212-I216 WeakPolarHBondContact O-CB 3.35Å; G212-I216 WeakPolarHBondContact O-CG1 3.28Å; G212-I216 PolarHBondContact O-N 3.32Å
213G96.8Very high96Very high9 Ų944.3 Ų44.39%0.09323%0.229CC..Hα-helixtrans-60.9-48.1175.100000112.4L209 F210 Y215 I216 F217L209-G213 PolarHBondContact O-N 3.12Å; F210-G213 PolarHBondContact O-N 2.8Å; G213-Y215 VanDerWaalsContact C-N 3.33Å; G213-Y215 PolarHBondContact O-N 2.89Å; G213-I216 PolarHBondContact O-N 2.93Å; G213-F217 WeakPolarHBondContact O-CB 3.29Å; G213-F217 WeakPolarHBondContact O-CD2 3.23Å; G213-F217 PolarHBondContact O-N 2.84Å
214M96.9Very high96.1Very high0 Ų044.3 Ų44.30%023%0.228CC..Iπ-helixtrans-59.2-42.5173.6-79.8-168.6-62.500112.5F133 W176 F198 F210 S211 G218 F219F133-M214 HydrophobicContact CE2-CB 4.11Å; F133-M214 HydrophobicContact CE2-CG 3.94Å; F133-M214 HydrophobicContact CE2-SD 3.94Å; F133-M214 HydrophobicContact CZ-CB 3.95Å; F133-M214 HydrophobicContact CZ-CG 4.28Å; F133-M214 HydrophobicContact CZ-SD 4.39Å; W176-M214 HydrophobicContact CB-CG 4.39Å; W176-M214 WeakPolarHBondContact O-CG 3.47Å; F198-M214 HydrophobicContact CB-CE 3.59Å; F198-M214 HydrophobicContact CD1-CE 3.67Å; F198-M214 HydrophobicContact CD1-SD 4.12Å; F198-M214 HydrophobicContact CD2-CE 3.2Å; F198-M214 HydrophobicContact CE1-CE 4.06Å; F198-M214 HydrophobicContact CE1-SD 4.44Å; F198-M214 HydrophobicContact CE2-CE 3.61Å; F198-M214 HydrophobicContact CG-CE 3.21Å; F198-M214 HydrophobicContact CG-SD 4.2Å; F198-M214 HydrophobicContact CZ-CE 4.02Å; F210-M214 HydrophobicContact CD1-CE 3.64Å; F210-M214 HydrophobicContact CD2-CE 4.28Å; F210-M214 HydrophobicContact CE1-CE 3.21Å; F210-M214 HydrophobicContact CE1-SD 3.99Å; F210-M214 HydrophobicContact CE2-CE 3.86Å; F210-M214 HydrophobicContact CE2-CG 4.04Å; F210-M214 HydrophobicContact CE2-SD 3.79Å; F210-M214 HydrophobicContact CG-CE 4.17Å; F210-M214 HydrophobicContact CZ-CE 3.3Å; F210-M214 HydrophobicContact CZ-CG 4.26Å; F210-M214 HydrophobicContact CZ-SD 3.41Å; F210-M214 WeakPolarHBondContact CZ-SD 3.29Å; F210-M214 PolarHBondContact O-N 3.38Å; S211-M214 PolarHBondContact O-N 3.23Å; M214-G218 CarbonylContact O-C 3.52Å; M214-G218 WeakPolarHBondContact O-CA 3.38Å; M214-G218 PolarHBondContact O-N 3Å; M214-F219 PolarHBondContact O-N 3.01Å
215Y97.4Very high96Very high29 Ų2944.5 Ų44.511%0.11423%0.229CC..Iπ-helixtrans-62.9-45.3178-171.5-89.1000111.9S211 G212 G213 F219 M220 A289 M290 L293 I296S211-Y215 WeakPolarHBondContact O-CB 3.41Å; S211-Y215 PolarHBondContact O-N 3.17Å; G212-Y215 PolarHBondContact O-N 2.65Å; G213-Y215 VanDerWaalsContact C-N 3.33Å; G213-Y215 PolarHBondContact O-N 2.89Å; Y215-F219 HydrophobicContact CE2-CD1 4.49Å; Y215-F219 WeakPolarHBondContact O-CB 3.42Å; Y215-F219 PolarHBondContact O-N 3.44Å; Y215-M220 HydrophobicContact CE1-CE 3.93Å; Y215-M220 PolarHBondContact O-N 3.13Å; Y215-A289 HydrophobicContact CE2-CB 4.02Å; Y215-A289 WeakPolarHBondContact CE2-O 3.47Å; Y215-M290 VanDerWaalsContact OH-CE 3.27Å; Y215-M290 WeakPolarHBondContact OH-CE 3.48Å; Y215-L293 HydrophobicContact CE1-CD1 4.01Å; Y215-L293 HydrophobicContact CE2-CB 3.86Å; Y215-L293 HydrophobicContact CE2-CD1 4.48Å; Y215-I296 HydrophobicContact CG-CD1 4.44Å
216I97.5Very high95.9Very high92 Ų9238.5 Ų38.547%0.47220%0.199SC..Iπ-helixtrans-73.6-53.4-177.5-67.5169.3000111.2G212 G213 M220 F221G212-I216 WeakPolarHBondContact O-CB 3.35Å; G212-I216 WeakPolarHBondContact O-CG1 3.28Å; G212-I216 PolarHBondContact O-N 3.32Å; G213-I216 PolarHBondContact O-N 2.93Å; I216-M220 PolarHBondContact O-N 3.36Å; I216-F221 WeakPolarHBondContact O-CB 3.22Å; I216-F221 PolarHBondContact O-N 2.95Å
217F96.8Very high95.7Very high81 Ų8139.8 Ų39.836%0.35520%0.203SC..Iπ-helixtrans-94.4-30.2-169.5-63.1-75.4000113.7W172 W176 G213 P222W172-F217 HydrophobicContact CH2-CD1 4.26Å; W172-F217 HydrophobicContact CZ2-CB 3.98Å; W172-F217 HydrophobicContact CZ2-CD1 4.35Å; W172-F217 WeakPolarHBondContact CZ2-O 3.35Å; W172-F217 PolarHBondContact NE1-O 3.48Å; W172-F217 VanDerWaalsContact NE1-O 3.15Å; W176-F217 HydrophobicContact CD2-CB 3.84Å; W176-F217 AromaticContact CE2-CG 3.77Å; W176-F217 HydrophobicContact CE3-CB 4.37Å; W176-F217 HydrophobicContact CE3-CD2 4.36Å; W176-F217 HydrophobicContact CG-CB 4.39Å; W176-F217 HydrophobicContact CH2-CB 3.96Å; W176-F217 HydrophobicContact CH2-CD1 4.37Å; W176-F217 AromaticContact CH2-CD2 3.12Å; W176-F217 HydrophobicContact CH2-CD2 3.12Å; W176-F217 AromaticContact CH2-CE2 3.59Å; W176-F217 HydrophobicContact CH2-CE2 3.59Å; W176-F217 AromaticContact CH2-CG 3.58Å; W176-F217 HydrophobicContact CH2-CG 3.58Å; W176-F217 HydrophobicContact CH2-CZ 4.37Å; W176-F217 HydrophobicContact CZ2-CB 3.34Å; W176-F217 AromaticContact CZ2-CD1 3.88Å; W176-F217 HydrophobicContact CZ2-CD1 3.88Å; W176-F217 AromaticContact CZ2-CD2 3.38Å; W176-F217 HydrophobicContact CZ2-CD2 3.38Å; W176-F217 HydrophobicContact CZ2-CE2 4.08Å; W176-F217 AromaticContact CZ2-CG 3.25Å; W176-F217 HydrophobicContact CZ2-CG 3.25Å; W176-F217 HydrophobicContact CZ3-CB 4.43Å; W176-F217 AromaticContact CZ3-CD2 3.67Å; W176-F217 HydrophobicContact CZ3-CD2 3.67Å; W176-F217 HydrophobicContact CZ3-CE2 4.29Å; W176-F217 HydrophobicContact CZ3-CG 4.32Å; G213-F217 WeakPolarHBondContact O-CB 3.29Å; G213-F217 WeakPolarHBondContact O-CD2 3.23Å; G213-F217 PolarHBondContact O-N 2.84Å; F217-P222 WeakPolarHBondContact O-CD 3.47Å
218G95.9Very high95.5Very high0 Ų046.3 Ų46.30%023%0.228CC..Iπ-helixtrans-79.3-38.4174.900000112.7F133 M214F133-G218 VanDerWaalsContact CD1-C 3.44Å; F133-G218 WeakPolarHBondContact CD1-O 3.35Å; M214-G218 CarbonylContact O-C 3.52Å; M214-G218 WeakPolarHBondContact O-CA 3.38Å; M214-G218 PolarHBondContact O-N 3Å
219F96.8Very high95.2Very high16 Ų1643.5 Ų43.57%0.0721%0.214CC..Iπ-helixtrans-110.8-64.6-175.5-174.6-101.8000114F133 L136 M214 Y215 F221 P222 V223 L282 W285 A289F133-F219 HydrophobicContact CE1-CB 4.37Å; L136-F219 HydrophobicContact CD2-CD2 3.84Å; L136-F219 HydrophobicContact CD2-CE2 4.46Å; L136-F219 HydrophobicContact CD2-CG 4.49Å; M214-F219 PolarHBondContact O-N 3.01Å; Y215-F219 HydrophobicContact CE2-CD1 4.49Å; Y215-F219 WeakPolarHBondContact O-CB 3.42Å; Y215-F219 PolarHBondContact O-N 3.44Å; F219-F221 PolarHBondContact O-N 3.49Å; F219-P222 WeakPolarHBondContact O-CD 3.46Å; F219-V223 HydrophobicContact CD2-CG2 4.47Å; F219-V223 HydrophobicContact CE1-CG2 4.4Å; F219-V223 HydrophobicContact CE2-CG2 4.26Å; F219-V223 HydrophobicContact CZ-CG2 4.23Å; F219-V223 VanDerWaalsContact O-CG2 3.27Å; F219-V223 WeakPolarHBondContact O-CG2 3.49Å; F219-V223 PolarHBondContact O-N 3.5Å; F219-V223 VanDerWaalsContact O-N 3.15Å; F219-L282 HydrophobicContact CE2-CD2 4.43Å; F219-L282 HydrophobicContact CZ-CD2 4.16Å; F219-W285 HydrophobicContact CE2-CB 4.14Å; F219-A289 HydrophobicContact CD1-CB 4.06Å; F219-A289 HydrophobicContact CE1-CB 3.73Å; F219-A289 HydrophobicContact CE2-CB 4.24Å; F219-A289 HydrophobicContact CG-CB 4.46Å; F219-A289 HydrophobicContact CZ-CB 3.83Å
220M96.8Very high94.6Very high69 Ų6939.7 Ų39.734%0.3419%0.193SC..Iπ-helixtrans-63.6-46-168.9-172.863.576.400112.9Y215 I216 V223 L224Y215-M220 HydrophobicContact CE1-CE 3.93Å; Y215-M220 PolarHBondContact O-N 3.13Å; I216-M220 PolarHBondContact O-N 3.36Å; M220-V223 PolarHBondContact O-N 3.05Å; M220-L224 HydrophobicContact CG-CD1 3.87Å; M220-L224 HydrophobicContact CG-CG 4.23Å; M220-L224 VanDerWaalsContact O-CG 3.31Å; M220-L224 WeakPolarHBondContact O-CG 3.49Å; M220-L224 PolarHBondContact O-N 2.93Å; M220-L224 HydrophobicContact SD-CD1 4.32Å; M220-L224 HydrophobicContact SD-CG 4.2Å
221F96Very high94.1Very high105 Ų10542.5 Ų42.546%0.46121%0.21SC..Hα-helixtrans-60.2-51.2-178.9172.2-93000112.6W172 I216 F219 V223 L224 L225W172-F221 HydrophobicContact CH2-CD1 4.42Å; W172-F221 HydrophobicContact CH2-CE1 4.42Å; W172-F221 AromaticContact CZ2-CD1 3.94Å; W172-F221 HydrophobicContact CZ2-CD1 3.94Å; W172-F221 HydrophobicContact CZ2-CE1 4.27Å; I216-F221 WeakPolarHBondContact O-CB 3.22Å; I216-F221 PolarHBondContact O-N 2.95Å; F219-F221 PolarHBondContact O-N 3.49Å; F221-V223 VanDerWaalsContact C-N 3.33Å; F221-V223 PolarHBondContact O-N 2.86Å; F221-L224 PolarHBondContact O-N 2.7Å; F221-L225 WeakPolarHBondContact O-CB 3.41Å; F221-L225 PolarHBondContact O-N 2.83Å
222P95.7Very high93.6Very high3 Ų343.9 Ų43.92%0.01922%0.218CC..Hα-helixtrans-59.2-38.4173.2-29.638.3000114.1L136 T137 A140 F217 F219 L225 C226L136-P222 HydrophobicContact CD1-CB 4.42Å; L136-P222 HydrophobicContact CD2-CB 3.93Å; L136-P222 HydrophobicContact CD2-CG 4.45Å; L136-P222 HydrophobicContact CG-CB 3.7Å; T137-P222 HydrophobicContact CG2-CB 4.29Å; T137-P222 HydrophobicContact CG2-CG 3.7Å; A140-P222 HydrophobicContact CB-CB 4.4Å; F217-P222 WeakPolarHBondContact O-CD 3.47Å; F219-P222 WeakPolarHBondContact O-CD 3.46Å; P222-L225 PolarHBondContact O-N 3.33Å; P222-C226 PolarHBondContact O-N 3.34Å; P222-C226 PolarHBondContact O-SG 3.38Å
223V95.4Very high92.8Very high12 Ų1243.2 Ų43.27%0.07321%0.211CC..Hα-helixtrans-62.9-48176.9170.60000111L136 F219 M220 F221 L225 C226 I227 L282L136-V223 HydrophobicContact CD1-CG2 4.09Å; L136-V223 HydrophobicContact CD2-CG2 4.02Å; F219-V223 HydrophobicContact CD2-CG2 4.47Å; F219-V223 HydrophobicContact CE1-CG2 4.4Å; F219-V223 HydrophobicContact CE2-CG2 4.26Å; F219-V223 HydrophobicContact CZ-CG2 4.23Å; F219-V223 VanDerWaalsContact O-CG2 3.27Å; F219-V223 WeakPolarHBondContact O-CG2 3.49Å; F219-V223 PolarHBondContact O-N 3.5Å; F219-V223 VanDerWaalsContact O-N 3.15Å; M220-V223 PolarHBondContact O-N 3.05Å; F221-V223 VanDerWaalsContact C-N 3.33Å; F221-V223 PolarHBondContact O-N 2.86Å; V223-L225 VanDerWaalsContact C-N 3.31Å; V223-L225 PolarHBondContact O-N 2.91Å; V223-C226 WeakPolarHBondContact O-CB 3.49Å; V223-C226 PolarHBondContact O-N 2.85Å; V223-I227 HydrophobicContact CG1-CD1 3.79Å; V223-I227 HydrophobicContact CG1-CG1 4.43Å; V223-I227 WeakPolarHBondContact O-CG1 3.33Å; V223-I227 PolarHBondContact O-N 2.81Å; V223-L282 HydrophobicContact CG1-CD1 4.47Å; V223-L282 HydrophobicContact CG1-CD2 4.09Å; V223-L282 HydrophobicContact CG2-CD2 3.61Å
224L94.7Very high92.1Very high100 Ų10046.7 Ų46.752%0.52423%0.226SC..Hα-helixtrans-61.6-40177.3-69.3174.4000111.7M220 F221 I227 Y228M220-L224 HydrophobicContact CG-CD1 3.87Å; M220-L224 HydrophobicContact CG-CG 4.23Å; M220-L224 VanDerWaalsContact O-CG 3.31Å; M220-L224 WeakPolarHBondContact O-CG 3.49Å; M220-L224 PolarHBondContact O-N 2.93Å; M220-L224 HydrophobicContact SD-CD1 4.32Å; M220-L224 HydrophobicContact SD-CG 4.2Å; F221-L224 PolarHBondContact O-N 2.7Å; L224-I227 PolarHBondContact O-N 3.03Å; L224-Y228 WeakPolarHBondContact O-CB 3.48Å; L224-Y228 PolarHBondContact O-N 3.07Å
225L92.5Very high91.4Very high60 Ų6052.4 Ų52.431%0.31425%0.251SS..Hα-helixtrans-62.4-42.5174.5-179.260.4000111.8A140 F221 P222 V223 Y228 C229A140-L225 HydrophobicContact CB-CD2 4.18Å; F221-L225 WeakPolarHBondContact O-CB 3.41Å; F221-L225 PolarHBondContact O-N 2.83Å; P222-L225 PolarHBondContact O-N 3.33Å; V223-L225 VanDerWaalsContact C-N 3.31Å; V223-L225 PolarHBondContact O-N 2.91Å; L225-Y228 PolarHBondContact O-N 3.48Å; L225-C229 PolarHBondContact O-N 3.39Å; L225-C229 PolarHBondContact O-SG 2.89Å
226C92Very high90.3Very high0 Ų052.8 Ų52.80%026%0.255CS..Hα-helixtrans-62-49.2174.8-64.80000111.3A140 P222 V223 Y228 C229 Y230 L278A140-C226 WeakPolarHBondContact CA-SG 3.43Å; A140-C226 WeakPolarHBondContact CB-SG 3.43Å; P222-C226 PolarHBondContact O-N 3.34Å; P222-C226 PolarHBondContact O-SG 3.38Å; V223-C226 WeakPolarHBondContact O-CB 3.49Å; V223-C226 PolarHBondContact O-N 2.85Å; C226-Y228 VanDerWaalsContact C-N 3.3Å; C226-Y228 PolarHBondContact O-N 3.38Å; C226-C229 PolarHBondContact O-N 3.45Å; C226-C229 VanDerWaalsContact O-N 3.16Å; C226-Y230 HydrophobicContact CB-CD2 4.25Å; C226-Y230 HydrophobicContact CB-CE2 3.9Å; C226-Y230 WeakPolarHBondContact O-CD2 3.43Å; C226-Y230 PolarHBondContact O-N 3.37Å; C226-L278 HydrophobicContact CB-CD1 4.02Å; C226-L278 HydrophobicContact CB-CD2 3.75Å; C226-L278 HydrophobicContact CB-CG 4.44Å
227I91.1Very high89Confident79 Ų7949.8 Ų49.841%0.40524%0.241SC..Hα-helixtrans-57.1-46.6178.7-68.5167.8000110V223 L224 C229 Y230 V231V223-I227 HydrophobicContact CG1-CD1 3.79Å; V223-I227 HydrophobicContact CG1-CG1 4.43Å; V223-I227 WeakPolarHBondContact O-CG1 3.33Å; V223-I227 PolarHBondContact O-N 2.81Å; L224-I227 PolarHBondContact O-N 3.03Å; I227-C229 PolarHBondContact O-N 2.93Å; I227-Y230 PolarHBondContact O-N 3.03Å; I227-V231 HydrophobicContact CG2-CG2 4.29Å; I227-V231 VanDerWaalsContact O-CG2 3.31Å; I227-V231 WeakPolarHBondContact O-CG2 3.48Å; I227-V231 PolarHBondContact O-N 2.93Å
228Y91.1Very high87.9Confident138 Ų13854 Ų5454%0.54126%0.255SS..Hα-helixtrans-57.2-48.5175.5174.1-97.3000112.1L224 L225 C226 Y230 N232L224-Y228 WeakPolarHBondContact O-CB 3.48Å; L224-Y228 PolarHBondContact O-N 3.07Å; L225-Y228 PolarHBondContact O-N 3.48Å; C226-Y228 VanDerWaalsContact C-N 3.3Å; C226-Y228 PolarHBondContact O-N 3.38Å; Y228-Y230 VanDerWaalsContact C-N 3.34Å; Y228-Y230 PolarHBondContact O-N 2.89Å; Y228-N232 VanDerWaalsContact CE2-ND2 3.34Å; Y228-N232 WeakPolarHBondContact CE2-ND2 3.43Å; Y228-N232 VanDerWaalsContact CZ-ND2 3.3Å; Y228-N232 PolarHBondContact O-N 2.94Å; Y228-N232 PolarHBondContact O-ND2 3.33Å
229C88.2Confident86.7Confident1 Ų158.1 Ų58.11%0.00728%0.276CS..Hα-helixtrans-60.2-44177.4-67.10000111.3L225 C226 I227 N232 L233L225-C229 PolarHBondContact O-N 3.39Å; L225-C229 PolarHBondContact O-SG 2.89Å; C226-C229 PolarHBondContact O-N 3.45Å; C226-C229 VanDerWaalsContact O-N 3.16Å; I227-C229 PolarHBondContact O-N 2.93Å; C229-N232 PolarHBondContact O-N 3.37Å; C229-L233 WeakPolarHBondContact O-CB 3.34Å; C229-L233 VanDerWaalsContact O-CG 3.26Å; C229-L233 WeakPolarHBondContact O-CG 3.35Å; C229-L233 PolarHBondContact O-N 3.02Å
230Y85Confident85.2Confident16 Ų1660.3 Ų60.36%0.06329%0.289CS..Hα-helixtrans-68.5-41.5-178.6-68.7-46.6000113.9S143 C226 I227 Y228 N232 L233 L234 V274 I275 L278S143-Y230 VanDerWaalsContact OG-CZ 3.26Å; S143-Y230 PolarHBondContact OG-OH 3.17Å; C226-Y230 HydrophobicContact CB-CD2 4.25Å; C226-Y230 HydrophobicContact CB-CE2 3.9Å; C226-Y230 WeakPolarHBondContact O-CD2 3.43Å; C226-Y230 PolarHBondContact O-N 3.37Å; I227-Y230 PolarHBondContact O-N 3.03Å; Y228-Y230 VanDerWaalsContact C-N 3.34Å; Y228-Y230 PolarHBondContact O-N 2.89Å; Y230-N232 PolarHBondContact O-N 3.45Å; Y230-L233 HydrophobicContact CD1-CD1 4.02Å; Y230-L233 HydrophobicContact CE1-CD1 4.46Å; Y230-L233 PolarHBondContact O-N 3.46Å; Y230-L234 WeakPolarHBondContact O-CB 3.43Å; Y230-L234 VanDerWaalsContact O-CG 3.28Å; Y230-L234 WeakPolarHBondContact O-CG 3.1Å; Y230-L234 PolarHBondContact O-N 3Å; Y230-V274 HydrophobicContact CE1-CB 4.4Å; Y230-V274 HydrophobicContact CE1-CG1 3.85Å; Y230-V274 WeakPolarHBondContact OH-CG1 3.45Å; Y230-V274 PolarHBondContact OH-O 3.4Å; Y230-I275 HydrophobicContact CD1-CD1 4.23Å; Y230-I275 HydrophobicContact CD1-CG1 3.41Å; Y230-I275 VanDerWaalsContact CD1-CG1 3.41Å; Y230-I275 HydrophobicContact CE1-CB 4.26Å; Y230-I275 HydrophobicContact CE1-CG1 3.4Å; Y230-I275 HydrophobicContact CG-CG1 4.12Å; Y230-I275 PolarHBondContact OH-N 3.39Å; Y230-L278 HydrophobicContact CD2-CD2 3.77Å; Y230-L278 HydrophobicContact CE2-CB 3.68Å; Y230-L278 HydrophobicContact CE2-CD2 3.35Å; Y230-L278 HydrophobicContact CE2-CG 4.04Å
231V86.9Confident83.6Confident66 Ų6661.9 Ų61.940%0.430%0.295SS..Hα-helixtrans-57.5-42.4175.3168.20000110I227 K235I227-V231 HydrophobicContact CG2-CG2 4.29Å; I227-V231 VanDerWaalsContact O-CG2 3.31Å; I227-V231 WeakPolarHBondContact O-CG2 3.48Å; I227-V231 PolarHBondContact O-N 2.93Å; V231-K235 HydrophobicContact CG1-CD 4.45Å; V231-K235 VanDerWaalsContact O-CG 3.3Å; V231-K235 WeakPolarHBondContact O-CG 3.23Å; V231-K235 PolarHBondContact O-N 2.88Å; V231-K235 VanDerWaalsContact O-N 3.17Å
232N84.8Confident81.8Confident31 Ų3164.9 Ų64.917%0.16630%0.304CS..Hα-helixtrans-71-40.4177.5-71.2-55.9000112.8Y147 Y228 C229 Y230 L234 K235 I236Y147-N232 HydrophobicContact CD2-CB 4.08Å; Y147-N232 HydrophobicContact CE2-CB 3.95Å; Y228-N232 VanDerWaalsContact CE2-ND2 3.34Å; Y228-N232 WeakPolarHBondContact CE2-ND2 3.43Å; Y228-N232 VanDerWaalsContact CZ-ND2 3.3Å; Y228-N232 PolarHBondContact O-N 2.94Å; Y228-N232 PolarHBondContact O-ND2 3.33Å; C229-N232 PolarHBondContact O-N 3.37Å; Y230-N232 PolarHBondContact O-N 3.45Å; N232-L234 PolarHBondContact O-N 3.22Å; N232-K235 PolarHBondContact O-N 3.39Å; N232-I236 WeakPolarHBondContact O-CG1 3.24Å; N232-I236 PolarHBondContact O-N 3.03Å
233L81.6Confident79.9Confident1 Ų168.8 Ų68.81%0.00533%0.327CS..Hα-helixtrans-60-45.3174.4-76.6169.2000111.7R146 I150 C229 Y230 K235 I236 V237 T271R146-L233 HydrophobicContact CB-CD1 4.14Å; R146-L233 HydrophobicContact CB-CD2 4.48Å; I150-L233 HydrophobicContact CB-CD2 4.23Å; I150-L233 HydrophobicContact CD1-CD2 3.89Å; I150-L233 HydrophobicContact CG2-CD2 4.5Å; C229-L233 WeakPolarHBondContact O-CB 3.34Å; C229-L233 VanDerWaalsContact O-CG 3.26Å; C229-L233 WeakPolarHBondContact O-CG 3.35Å; C229-L233 PolarHBondContact O-N 3.02Å; Y230-L233 HydrophobicContact CD1-CD1 4.02Å; Y230-L233 HydrophobicContact CE1-CD1 4.46Å; Y230-L233 PolarHBondContact O-N 3.46Å; L233-K235 PolarHBondContact O-N 2.95Å; L233-I236 PolarHBondContact O-N 3.23Å; L233-V237 WeakPolarHBondContact O-CG2 3.12Å; L233-V237 PolarHBondContact O-N 2.9Å; L233-T271 HydrophobicContact CB-CG2 4.49Å; L233-T271 HydrophobicContact CD1-CG2 4.34Å
234L80.7Confident78.1Confident81 Ų8170.4 Ų70.442%0.42434%0.337SS..Hα-helixtrans-65.6-38.8179.9-71.2174.2000112.6Y230 N232 I236 R238 I275Y230-L234 WeakPolarHBondContact O-CB 3.43Å; Y230-L234 VanDerWaalsContact O-CG 3.28Å; Y230-L234 WeakPolarHBondContact O-CG 3.1Å; Y230-L234 PolarHBondContact O-N 3Å; N232-L234 PolarHBondContact O-N 3.22Å; L234-I236 VanDerWaalsContact C-N 3.26Å; L234-I236 PolarHBondContact O-N 2.91Å; L234-R238 VanDerWaalsContact O-CG 3.32Å; L234-R238 WeakPolarHBondContact O-CG 3.19Å; L234-R238 PolarHBondContact O-N 3.46Å; L234-R238 VanDerWaalsContact O-N 3.15Å; L234-I275 HydrophobicContact CD2-CD1 4.24Å
235K82.5Confident76.3Confident121 Ų12171.2 Ų71.253%0.52634%0.341SS..Hα-helixtrans-58.1-41.9173.5-74.7172.1-177.51790111.2V231 N232 L233 N239V231-K235 HydrophobicContact CG1-CD 4.45Å; V231-K235 VanDerWaalsContact O-CG 3.3Å; V231-K235 WeakPolarHBondContact O-CG 3.23Å; V231-K235 PolarHBondContact O-N 2.88Å; V231-K235 VanDerWaalsContact O-N 3.17Å; N232-K235 PolarHBondContact O-N 3.39Å; L233-K235 PolarHBondContact O-N 2.95Å; K235-N239 PolarHBondContact O-N 2.91Å; K235-N239 VanDerWaalsContact O-N 3.16Å
236I74.5Confident74.6Confident37 Ų3774.1 Ų74.119%0.1936%0.356CS..Hα-helixtrans-79.2-38.4-174.9-69.8167.2000112I150 V151 N232 L233 L234 R238 N239 N240I150-I236 HydrophobicContact CG2-CG2 4.05Å; V151-I236 HydrophobicContact CB-CD1 3.78Å; V151-I236 HydrophobicContact CG1-CD1 3.4Å; V151-I236 HydrophobicContact CG2-CD1 3.11Å; V151-I236 HydrophobicContact CG2-CG1 4.39Å; V151-I236 HydrophobicContact CG2-CG2 4.48Å; N232-I236 WeakPolarHBondContact O-CG1 3.24Å; N232-I236 PolarHBondContact O-N 3.03Å; L233-I236 PolarHBondContact O-N 3.23Å; L234-I236 VanDerWaalsContact C-N 3.26Å; L234-I236 PolarHBondContact O-N 2.91Å; I236-R238 VanDerWaalsContact C-N 3.29Å; I236-R238 PolarHBondContact O-N 3.26Å; I236-N239 PolarHBondContact O-N 2.92Å; I236-N240 WeakPolarHBondContact CG2-ND2 3.4Å; I236-N240 VanDerWaalsContact O-CB 3.29Å; I236-N240 WeakPolarHBondContact O-CB 3.27Å; I236-N240 VanDerWaalsContact O-CG 3.29Å; I236-N240 PolarHBondContact O-N 3.28Å
237V70.7Confident72.9Confident29 Ų2977.4 Ų77.418%0.17638%0.378CS..Hα-helixtrans-59.4-43.5173.3172.80000110.4L233 N239 N240 E241 I268L233-V237 WeakPolarHBondContact O-CG2 3.12Å; L233-V237 PolarHBondContact O-N 2.9Å; V237-N239 PolarHBondContact O-N 3.32Å; V237-N240 PolarHBondContact O-N 2.83Å; V237-E241 WeakPolarHBondContact O-CG 3.2Å; V237-E241 PolarHBondContact O-N 3.42Å; V237-I268 HydrophobicContact CG1-CG1 4.49Å
238R73.4Confident71.2Confident170 Ų17079.6 Ų79.664%0.64239%0.391SS*.Hα-helixtrans-62.5-39.1175.6-72.1176179.1-177.90.5113L234 I236 R242L234-R238 VanDerWaalsContact O-CG 3.32Å; L234-R238 WeakPolarHBondContact O-CG 3.19Å; L234-R238 PolarHBondContact O-N 3.46Å; L234-R238 VanDerWaalsContact O-N 3.15Å; I236-R238 VanDerWaalsContact C-N 3.29Å; I236-R238 PolarHBondContact O-N 3.26Å; R238-R242 WeakPolarHBondContact O-CG 3.44Å; R238-R242 PolarHBondContact O-N 3.45Å
239N71Confident69.7Low86 Ų8677.3 Ų77.346%0.4640%0.395SS..Hα-helixtrans-71.7-38.7176.7-71.6-10.2000112K235 I236 V237 R242 V243K235-N239 PolarHBondContact O-N 2.91Å; K235-N239 VanDerWaalsContact O-N 3.16Å; I236-N239 PolarHBondContact O-N 2.92Å; V237-N239 PolarHBondContact O-N 3.32Å; N239-R242 WeakPolarHBondContact O-CB 3.49Å; N239-R242 PolarHBondContact O-N 3.15Å; N239-V243 WeakPolarHBondContact O-CG2 3.5Å; N239-V243 PolarHBondContact O-N 3.23Å
240N64.8Low68.4Low62 Ų6283 Ų8333%0.33243%0.425SS..Hα-helixtrans-72-31.7-179.9-75.8-15.7000112.5I236 V237 R242 V243 V244I236-N240 WeakPolarHBondContact CG2-ND2 3.4Å; I236-N240 VanDerWaalsContact O-CB 3.29Å; I236-N240 WeakPolarHBondContact O-CB 3.27Å; I236-N240 VanDerWaalsContact O-CG 3.29Å; I236-N240 PolarHBondContact O-N 3.28Å; V237-N240 PolarHBondContact O-N 2.83Å; N240-R242 VanDerWaalsContact C-N 3.32Å; N240-V243 PolarHBondContact O-N 3.1Å; N240-V244 WeakPolarHBondContact O-CB 3.43Å; N240-V244 WeakPolarHBondContact O-CG2 3.32Å; N240-V244 PolarHBondContact O-N 3.19Å
241E64Low67Low102 Ų10289.8 Ų89.848%0.47746%0.463SS..Hα-helixtrans-60.9-42.7168.9-77.1177.9169.700110.9V237 V244 L245V237-E241 WeakPolarHBondContact O-CG 3.2Å; V237-E241 PolarHBondContact O-N 3.42Å; E241-V244 PolarHBondContact O-N 2.88Å; E241-L245 WeakPolarHBondContact O-CB 3.45Å; E241-L245 VanDerWaalsContact O-CG 3.22Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.26Å
242R58.1Low65.7Low168 Ų16890 Ų9063%0.63448%0.478SS*.Hα-helixtrans-63.5-45.3175.5-67.8174.8178.6177.9-3.3112.5R238 N239 N240 V244 L245 I246R238-R242 WeakPolarHBondContact O-CG 3.44Å; R238-R242 PolarHBondContact O-N 3.45Å; N239-R242 WeakPolarHBondContact O-CB 3.49Å; N239-R242 PolarHBondContact O-N 3.15Å; N240-R242 VanDerWaalsContact C-N 3.32Å; R242-V244 PolarHBondContact O-N 2.99Å; R242-L245 PolarHBondContact O-N 2.8Å; R242-I246 VanDerWaalsContact O-CG1 3.29Å; R242-I246 WeakPolarHBondContact O-CG1 3.37Å; R242-I246 PolarHBondContact O-N 3.19Å
243V55.6Low64.6Low84 Ų8490.6 Ų90.651%0.50949%0.487SS..Hα-helixtrans-65.8-38.6178.2175.40000111.5N239 N240 I246 S247N239-V243 WeakPolarHBondContact O-CG2 3.5Å; N239-V243 PolarHBondContact O-N 3.23Å; N240-V243 PolarHBondContact O-N 3.1Å; V243-I246 PolarHBondContact O-N 3.24Å; V243-S247 WeakPolarHBondContact O-CB 3.49Å; V243-S247 PolarHBondContact O-N 2.87Å; V243-S247 PolarHBondContact O-OG 2.99Å; V243-S247 VanDerWaalsContact O-OG 3.13Å
244V56.2Low64Low46 Ų4695.1 Ų95.128%0.27952%0.519SS..Hα-helixtrans-60.8-50173.3171.50000109.7N240 E241 R242 I246 S247 L248 K264N240-V244 WeakPolarHBondContact O-CB 3.43Å; N240-V244 WeakPolarHBondContact O-CG2 3.32Å; N240-V244 PolarHBondContact O-N 3.19Å; E241-V244 PolarHBondContact O-N 2.88Å; R242-V244 PolarHBondContact O-N 2.99Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.47Å; V244-S247 WeakPolarHBondContact CA-OG 3.38Å; V244-S247 PolarHBondContact O-N 2.77Å; V244-S247 VanDerWaalsContact O-N 3.13Å; V244-S247 PolarHBondContact O-OG 3.29Å; V244-L248 VanDerWaalsContact O-CG 3.32Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; V244-L248 PolarHBondContact O-N 3Å; V244-L248 VanDerWaalsContact O-N 3.11Å; V244-K264 HydrophobicContact CG2-CD 3.61Å
245L58.7Low63.5Low117 Ų11799.7 Ų99.761%0.61354%0.535SS*.Hα-helixtrans-58.2-40.4179.8-71.3167.9000112.7E241 R242 L248E241-L245 WeakPolarHBondContact O-CB 3.45Å; E241-L245 VanDerWaalsContact O-CG 3.22Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.26Å; R242-L245 PolarHBondContact O-N 2.8Å; L245-L248 HydrophobicContact CD2-CD1 4.16Å; L245-L248 WeakPolarHBondContact O-CB 3.06Å; L245-L248 PolarHBondContact O-N 3.42Å
246I56.5Low62.9Low122 Ų122100.7 Ų100.763%0.62654%0.542SS*.Hα-helixtrans-69.7-40.9176.5-65.6163.6000111.1R242 V243 V244 L248 S249R242-I246 VanDerWaalsContact O-CG1 3.29Å; R242-I246 WeakPolarHBondContact O-CG1 3.37Å; R242-I246 PolarHBondContact O-N 3.19Å; V243-I246 PolarHBondContact O-N 3.24Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.47Å; I246-L248 PolarHBondContact O-N 3.26Å; I246-S249 PolarHBondContact O-N 2.96Å; I246-S249 PolarHBondContact O-OG 3.44Å
247S55.2Low62.6Low68 Ų68103.6 Ų103.648%0.47655%0.55SS.*Hα-helixtrans-69.8-11.217867.10000114.3V243 V244 S249V243-S247 WeakPolarHBondContact O-CB 3.49Å; V243-S247 PolarHBondContact O-N 2.87Å; V243-S247 PolarHBondContact O-OG 2.99Å; V243-S247 VanDerWaalsContact O-OG 3.13Å; V244-S247 WeakPolarHBondContact CA-OG 3.38Å; V244-S247 PolarHBondContact O-N 2.77Å; V244-S247 VanDerWaalsContact O-N 3.13Å; V244-S247 PolarHBondContact O-OG 3.29Å; S247-S249 PolarHBondContact O-N 3.17Å
248L55.9Low62.8Low126 Ų126108.1 Ų108.166%0.6657%0.569SS**THydrogen-bonded Turntrans-73.3-14.5174.7-69.4170.6000112.9V244 L245 I246V244-L248 VanDerWaalsContact O-CG 3.32Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; V244-L248 PolarHBondContact O-N 3Å; V244-L248 VanDerWaalsContact O-N 3.11Å; L245-L248 HydrophobicContact CD2-CD1 4.16Å; L245-L248 WeakPolarHBondContact O-CB 3.06Å; L245-L248 PolarHBondContact O-N 3.42Å; I246-L248 PolarHBondContact O-N 3.26Å
249S59.9Low62.9Low90 Ų90103.3 Ų103.363%0.62956%0.562SS**THydrogen-bonded Turntrans-82.3-12.5-178.667.40000114.7I246 S247I246-S249 PolarHBondContact O-N 2.96Å; I246-S249 PolarHBondContact O-OG 3.44Å; S247-S249 PolarHBondContact O-N 3.17Å
250N60.1Low63.2Low121 Ų121102.5 Ų102.565%0.64756%0.56SS**SBendtrans-113121.7-175.7-72-9.4000110.8R257N250-R257 PolarHBondContact O-NH2 3.12Å
251D56.2Low63.7Low158 Ų158108.9 Ų108.985%0.84558%0.579SS**  trans-94151.6-165.8-142.5-1.6000114.6R257D251-R257 VanDerWaalsContact CA-NH2 3.34Å; D251-R257 IonicContact OD1-CZ 3.95Å; D251-R257 IonicContact OD1-NH1 3.55Å; D251-R257 PolarHBondContact OD1-NH1 3.37Å
252G59.3Low64.4Low70 Ų70107.6 Ų107.672%0.72258%0.576SS**SBendtrans144.6-11172.800000122.5
253A62.6Low65.4Low44 Ų44107.5 Ų107.536%0.36458%0.575SS.*  trans-146.675.9-175.600000115.8K255 R257A253-K255 PolarHBondContact O-N 3.38Å; A253-R257 WeakPolarHBondContact O-CB 3.45Å; A253-R257 VanDerWaalsContact O-CD 3.23Å; A253-R257 WeakPolarHBondContact O-CD 3.23Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å; A253-R257 PolarHBondContact O-N 3.11Å
254S68.4Low66.4Low95 Ų95106.9 Ų106.966%0.66457%0.566SS**Hα-helixtrans-61-45-170.360.60000115.9R257 E258S254-R257 WeakPolarHBondContact O-CB 3.33Å; S254-R257 PolarHBondContact O-N 3.06Å; S254-E258 PolarHBondContact O-N 3.5Å; S254-E258 VanDerWaalsContact O-N 3.12Å
255K70.5Confident67.5Low178 Ų178112.2 Ų112.277%0.77458%0.581SS**Hα-helixtrans-71.2-42.2-174.8-71.9-175.6179.9176.80113.8A253 R257 E258 S259A253-K255 PolarHBondContact O-N 3.38Å; K255-R257 VanDerWaalsContact C-N 3.32Å; K255-E258 PolarHBondContact O-N 3.44Å; K255-S259 PolarHBondContact O-N 2.84Å
256Q69Low68.5Low141 Ų141110 Ų11066%0.65957%0.57SS**Hα-helixtrans-69-33.2177-171173.9-0.400111.2S259 V260Q256-S259 PolarHBondContact O-N 3.34Å; Q256-S259 PolarHBondContact O-OG 3.28Å; Q256-V260 VanDerWaalsContact O-CG2 3.32Å; Q256-V260 WeakPolarHBondContact O-CG2 3.21Å; Q256-V260 PolarHBondContact O-N 2.91Å; Q256-V260 VanDerWaalsContact O-N 3.07Å
257R69.3Low69.7Low99 Ų99106.2 Ų106.237%0.37455%0.551SS.*Hα-helixtrans-61.1-44171.6-73.8168.2-171.9-176.6-2.3112N250 D251 A253 S254 K255 S259 V260 R261N250-R257 PolarHBondContact O-NH2 3.12Å; D251-R257 VanDerWaalsContact CA-NH2 3.34Å; D251-R257 IonicContact OD1-CZ 3.95Å; D251-R257 IonicContact OD1-NH1 3.55Å; D251-R257 PolarHBondContact OD1-NH1 3.37Å; A253-R257 WeakPolarHBondContact O-CB 3.45Å; A253-R257 VanDerWaalsContact O-CD 3.23Å; A253-R257 WeakPolarHBondContact O-CD 3.23Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å; A253-R257 PolarHBondContact O-N 3.11Å; S254-R257 WeakPolarHBondContact O-CB 3.33Å; S254-R257 PolarHBondContact O-N 3.06Å; K255-R257 VanDerWaalsContact C-N 3.32Å; R257-S259 PolarHBondContact O-N 3.49Å; R257-V260 PolarHBondContact O-N 3.49Å; R257-R261 VanDerWaalsContact O-CB 3.27Å; R257-R261 WeakPolarHBondContact O-CB 3.47Å; R257-R261 PolarHBondContact O-N 2.83Å
258E75.2Confident70.8Confident123 Ų123105.5 Ų105.558%0.57554%0.541SS*.Hα-helixtrans-64.6-40.4179.7-168.8177.4-179.100111.8S254 K255 R261 N262S254-E258 PolarHBondContact O-N 3.5Å; S254-E258 VanDerWaalsContact O-N 3.12Å; K255-E258 PolarHBondContact O-N 3.44Å; E258-R261 PolarHBondContact O-N 2.91Å; E258-N262 VanDerWaalsContact O-CB 3.27Å; E258-N262 WeakPolarHBondContact O-CB 3.26Å; E258-N262 VanDerWaalsContact O-CG 3.27Å; E258-N262 PolarHBondContact O-N 3.31Å; E258-N262 PolarHBondContact O-ND2 3.11Å
259S75Confident72.1Confident69 Ų69102 Ų10248%0.48352%0.521SS..Hα-helixtrans-66.2-42177.272.80000112.4K255 Q256 R257 N262 R263K255-S259 PolarHBondContact O-N 2.84Å; Q256-S259 PolarHBondContact O-N 3.34Å; Q256-S259 PolarHBondContact O-OG 3.28Å; R257-S259 PolarHBondContact O-N 3.49Å; S259-N262 PolarHBondContact O-N 2.97Å; S259-R263 PolarHBondContact O-N 2.84Å
260V76.2Confident73.2Confident69 Ų6998.8 Ų98.842%0.41850%0.5SS..Hα-helixtrans-65.2-44.3175.1173.50000111.1Q256 R257 N262 R263 K264Q256-V260 VanDerWaalsContact O-CG2 3.32Å; Q256-V260 WeakPolarHBondContact O-CG2 3.21Å; Q256-V260 PolarHBondContact O-N 2.91Å; Q256-V260 VanDerWaalsContact O-N 3.07Å; R257-V260 PolarHBondContact O-N 3.49Å; V260-N262 PolarHBondContact O-N 3.29Å; V260-R263 PolarHBondContact O-N 3.46Å; V260-K264 HydrophobicContact CG1-CD 4.39Å; V260-K264 PolarHBondContact O-N 2.93Å
261R75.4Confident74.3Confident196 Ų19693.3 Ų93.374%0.7447%0.471SS*.Hα-helixtrans-61-44.6176.6-174.5179.5-176.6179.82.4111.3R257 E258 K264 R265R257-R261 VanDerWaalsContact O-CB 3.27Å; R257-R261 WeakPolarHBondContact O-CB 3.47Å; R257-R261 PolarHBondContact O-N 2.83Å; E258-R261 PolarHBondContact O-N 2.91Å; R261-K264 PolarHBondContact O-N 3.36Å; R261-R265 WeakPolarHBondContact O-CB 3.28Å; R261-R265 PolarHBondContact O-N 3.37Å
262N78.5Confident75.7Confident75 Ų7591.9 Ų91.940%0.40146%0.457SS..Hα-helixtrans-63.6-41176.8-78.7-29.6000111.7E258 S259 V260 R265 L266E258-N262 VanDerWaalsContact O-CB 3.27Å; E258-N262 WeakPolarHBondContact O-CB 3.26Å; E258-N262 VanDerWaalsContact O-CG 3.27Å; E258-N262 PolarHBondContact O-N 3.31Å; E258-N262 PolarHBondContact O-ND2 3.11Å; S259-N262 PolarHBondContact O-N 2.97Å; V260-N262 PolarHBondContact O-N 3.29Å; N262-R265 PolarHBondContact O-N 3.01Å; N262-L266 VanDerWaalsContact O-CG 3.25Å; N262-L266 WeakPolarHBondContact O-CG 3.3Å; N262-L266 PolarHBondContact O-N 3.21Å
263R79.4Confident77.1Confident166 Ų16689 Ų8963%0.62643%0.426SS*.Hα-helixtrans-60.7-53.3174.5-176-178.2-68.6-137.12.1111.6S259 V260 R265 L266 D267S259-R263 PolarHBondContact O-N 2.84Å; V260-R263 PolarHBondContact O-N 3.46Å; R263-R265 VanDerWaalsContact C-N 3.28Å; R263-R265 PolarHBondContact O-N 3.44Å; R263-L266 WeakPolarHBondContact O-CB 3.37Å; R263-L266 PolarHBondContact O-N 3.49Å; R263-D267 PolarHBondContact O-N 3.11Å
264K77.1Confident78.3Confident72 Ų7287.5 Ų87.531%0.31341%0.412SS..Hα-helixtrans-57.4-41178.4-72.7-174.7177.6-175.50112.2V244 V260 R261 D267 I268V244-K264 HydrophobicContact CG2-CD 3.61Å; V260-K264 HydrophobicContact CG1-CD 4.39Å; V260-K264 PolarHBondContact O-N 2.93Å; R261-K264 PolarHBondContact O-N 3.36Å; K264-D267 PolarHBondContact O-N 2.88Å; K264-I268 VanDerWaalsContact O-CG1 3.32Å; K264-I268 WeakPolarHBondContact O-CG1 3.25Å; K264-I268 PolarHBondContact O-N 3.29Å
265R78.6Confident79.3Confident157 Ų15784.9 Ų84.959%0.59239%0.391SS*.Hα-helixtrans-60.6-45174.9-179.6-178.9171.7168.16.2111.7R261 N262 R263 D267 I268 E269R261-R265 WeakPolarHBondContact O-CB 3.28Å; R261-R265 PolarHBondContact O-N 3.37Å; N262-R265 PolarHBondContact O-N 3.01Å; R263-R265 VanDerWaalsContact C-N 3.28Å; R263-R265 PolarHBondContact O-N 3.44Å; R265-D267 VanDerWaalsContact C-N 3.32Å; R265-I268 PolarHBondContact O-N 3.15Å; R265-E269 IonicContact CZ-OE1 2.67Å; R265-E269 IonicContact NE-OE1 3.91Å; R265-E269 PolarHBondContact NE-OE1 3.24Å; R265-E269 IonicContact NH2-OE1 2.91Å; R265-E269 PolarHBondContact NH2-OE1 3.4Å; R265-E269 WeakPolarHBondContact O-CB 3.35Å; R265-E269 WeakPolarHBondContact O-CG 3.49Å; R265-E269 PolarHBondContact O-N 2.96Å
266L80.9Confident80.4Confident72 Ų7279.3 Ų79.338%0.37737%0.369SS..Hα-helixtrans-63.9-38.4177.2-68.8169.2000111.7N262 R263 E269 A270N262-L266 VanDerWaalsContact O-CG 3.25Å; N262-L266 WeakPolarHBondContact O-CG 3.3Å; N262-L266 PolarHBondContact O-N 3.21Å; R263-L266 WeakPolarHBondContact O-CB 3.37Å; R263-L266 PolarHBondContact O-N 3.49Å; L266-E269 PolarHBondContact O-N 3.48Å; L266-A270 VanDerWaalsContact O-CB 3.28Å; L266-A270 WeakPolarHBondContact O-CB 3.38Å; L266-A270 PolarHBondContact O-N 3.21Å
267D80.2Confident81.5Confident42 Ų4273 Ų7323%0.22534%0.34CS..Hα-helixtrans-66.9-38.9176.7-64.9-32.4000111.9I150 R263 K264 R265 T271I150-D267 HydrophobicContact CD1-CB 4.33Å; I150-D267 HydrophobicContact CG1-CB 4.34Å; R263-D267 PolarHBondContact O-N 3.11Å; K264-D267 PolarHBondContact O-N 2.88Å; R265-D267 VanDerWaalsContact C-N 3.32Å; D267-T271 WeakPolarHBondContact O-CB 3.49Å; D267-T271 PolarHBondContact O-N 2.95Å; D267-T271 PolarHBondContact O-OG1 2.79Å
268I79.5Confident82.6Confident53 Ų5368.6 Ų68.627%0.27232%0.324SS..Hα-helixtrans-65.6-47.6173.3-69.1167000110.8V237 K264 R265 A270 T271 K272V237-I268 HydrophobicContact CG1-CG1 4.49Å; K264-I268 VanDerWaalsContact O-CG1 3.32Å; K264-I268 WeakPolarHBondContact O-CG1 3.25Å; K264-I268 PolarHBondContact O-N 3.29Å; R265-I268 PolarHBondContact O-N 3.15Å; I268-A270 VanDerWaalsContact C-N 3.31Å; I268-A270 PolarHBondContact O-N 2.85Å; I268-T271 PolarHBondContact O-N 2.92Å; I268-K272 HydrophobicContact CG2-CD 4.2Å; I268-K272 HydrophobicContact CG2-CG 4.46Å; I268-K272 WeakPolarHBondContact O-CB 3.17Å; I268-K272 WeakPolarHBondContact O-CG 3.36Å; I268-K272 PolarHBondContact O-N 2.84Å
269E82.2Confident83.6Confident52 Ų5267 Ų6724%0.24332%0.319CS..Hα-helixtrans-59.8-41.9177.5-74.8176.7-173.500111.1R265 L266 S273R265-E269 IonicContact CZ-OE1 2.67Å; R265-E269 IonicContact NE-OE1 3.91Å; R265-E269 PolarHBondContact NE-OE1 3.24Å; R265-E269 IonicContact NH2-OE1 2.91Å; R265-E269 PolarHBondContact NH2-OE1 3.4Å; R265-E269 WeakPolarHBondContact O-CB 3.35Å; R265-E269 WeakPolarHBondContact O-CG 3.49Å; R265-E269 PolarHBondContact O-N 2.96Å; L266-E269 PolarHBondContact O-N 3.48Å; E269-S273 PolarHBondContact O-N 2.92Å; E269-S273 VanDerWaalsContact O-N 3.09Å
270A83.3Confident84.5Confident23 Ų2366.8 Ų66.819%0.1931%0.309CS..Hα-helixtrans-65.5-44.9174.800000112L266 I268 K272 S273 V274L266-A270 VanDerWaalsContact O-CB 3.28Å; L266-A270 WeakPolarHBondContact O-CB 3.38Å; L266-A270 PolarHBondContact O-N 3.21Å; I268-A270 VanDerWaalsContact C-N 3.31Å; I268-A270 PolarHBondContact O-N 2.85Å; A270-K272 VanDerWaalsContact C-N 3.34Å; A270-K272 PolarHBondContact O-N 2.86Å; A270-S273 VanDerWaalsContact O-CB 3.28Å; A270-S273 WeakPolarHBondContact O-CB 3.37Å; A270-S273 PolarHBondContact O-N 2.88Å; A270-V274 WeakPolarHBondContact O-CG2 3.44Å; A270-V274 PolarHBondContact O-N 3.18Å
271T84.4Confident85.4Confident6 Ų663.9 Ų63.94%0.03729%0.291CS..Hα-helixtrans-62.6-41.4178.4-58.40000111.6I150 L233 D267 I268 S273 V274 I275I150-T271 WeakPolarHBondContact CD1-OG1 3.47Å; L233-T271 HydrophobicContact CB-CG2 4.49Å; L233-T271 HydrophobicContact CD1-CG2 4.34Å; D267-T271 WeakPolarHBondContact O-CB 3.49Å; D267-T271 PolarHBondContact O-N 2.95Å; D267-T271 PolarHBondContact O-OG1 2.79Å; I268-T271 PolarHBondContact O-N 2.92Å; T271-S273 VanDerWaalsContact C-N 3.32Å; T271-S273 PolarHBondContact O-N 3.05Å; T271-V274 PolarHBondContact O-N 2.94Å; T271-I275 HydrophobicContact CG2-CD1 3.98Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 3.29Å
272K85.3Confident86.4Confident128 Ų12856.1 Ų56.156%0.55726%0.264SS*.Hα-helixtrans-59.6-42.8173.8-75.2179.4179.6-175.10111.7I268 A270 V274 I275 L276I268-K272 HydrophobicContact CG2-CD 4.2Å; I268-K272 HydrophobicContact CG2-CG 4.46Å; I268-K272 WeakPolarHBondContact O-CB 3.17Å; I268-K272 WeakPolarHBondContact O-CG 3.36Å; I268-K272 PolarHBondContact O-N 2.84Å; A270-K272 VanDerWaalsContact C-N 3.34Å; A270-K272 PolarHBondContact O-N 2.86Å; K272-V274 VanDerWaalsContact C-N 3.35Å; K272-I275 PolarHBondContact O-N 2.91Å; K272-L276 WeakPolarHBondContact O-CB 3.45Å; K272-L276 VanDerWaalsContact O-CG 3.28Å; K272-L276 WeakPolarHBondContact O-CG 3.34Å; K272-L276 PolarHBondContact O-N 3.3Å
273S87.4Confident87.2Confident9 Ų958.6 Ų58.66%0.06328%0.275CS..Hα-helixtrans-57.8-48.4175.1-163.90000110.8E269 A270 T271 I275 L276 S277 L325 T329E269-S273 PolarHBondContact O-N 2.92Å; E269-S273 VanDerWaalsContact O-N 3.09Å; A270-S273 VanDerWaalsContact O-CB 3.28Å; A270-S273 WeakPolarHBondContact O-CB 3.37Å; A270-S273 PolarHBondContact O-N 2.88Å; T271-S273 VanDerWaalsContact C-N 3.32Å; T271-S273 PolarHBondContact O-N 3.05Å; S273-I275 PolarHBondContact O-N 2.86Å; S273-L276 PolarHBondContact O-N 2.94Å; S273-S277 PolarHBondContact O-N 2.67Å; S273-S277 PolarHBondContact O-OG 3.36Å; S273-L325 WeakPolarHBondContact O-CD2 3.4Å; S273-T329 WeakPolarHBondContact CB-OG1 3.47Å; S273-T329 PolarHBondContact OG-OG1 3.4Å
274V87.6Confident88Confident13 Ų1350.9 Ų50.98%0.07925%0.246CC..Hα-helixtrans-63.8-45.3-178.8-178.10000111.5I142 S143 R146 Y230 A270 T271 K272 L276 S277 L278I142-V274 HydrophobicContact CB-CG1 4.43Å; I142-V274 HydrophobicContact CG2-CB 4.39Å; I142-V274 HydrophobicContact CG2-CG1 3.92Å; I142-V274 HydrophobicContact CG2-CG2 3.45Å; I142-V274 VanDerWaalsContact CG2-CG2 3.45Å; S143-V274 WeakPolarHBondContact OG-CG1 3.26Å; R146-V274 HydrophobicContact CG-CG2 3.99Å; Y230-V274 HydrophobicContact CE1-CB 4.4Å; Y230-V274 HydrophobicContact CE1-CG1 3.85Å; Y230-V274 WeakPolarHBondContact OH-CG1 3.45Å; Y230-V274 PolarHBondContact OH-O 3.4Å; A270-V274 WeakPolarHBondContact O-CG2 3.44Å; A270-V274 PolarHBondContact O-N 3.18Å; T271-V274 PolarHBondContact O-N 2.94Å; K272-V274 VanDerWaalsContact C-N 3.35Å; V274-L276 PolarHBondContact O-N 2.94Å; V274-S277 WeakPolarHBondContact O-CB 3.24Å; V274-S277 PolarHBondContact O-N 3.35Å; V274-L278 PolarHBondContact O-N 3Å
275I90.2Very high89Confident40 Ų4048.8 Ų48.821%0.20524%0.236CC..Hα-helixtrans-57.7-48.1175.3-68167.3000111.4Y230 L234 T271 K272 S273 S277 L278 L279Y230-I275 HydrophobicContact CD1-CD1 4.23Å; Y230-I275 HydrophobicContact CD1-CG1 3.41Å; Y230-I275 VanDerWaalsContact CD1-CG1 3.41Å; Y230-I275 HydrophobicContact CE1-CB 4.26Å; Y230-I275 HydrophobicContact CE1-CG1 3.4Å; Y230-I275 HydrophobicContact CG-CG1 4.12Å; Y230-I275 PolarHBondContact OH-N 3.39Å; L234-I275 HydrophobicContact CD2-CD1 4.24Å; T271-I275 HydrophobicContact CG2-CD1 3.98Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 3.29Å; K272-I275 PolarHBondContact O-N 2.91Å; S273-I275 PolarHBondContact O-N 2.86Å; I275-S277 VanDerWaalsContact C-N 3.33Å; I275-S277 PolarHBondContact O-N 3.1Å; I275-L278 PolarHBondContact O-N 2.66Å; I275-L279 HydrophobicContact CG2-CD1 3.96Å; I275-L279 HydrophobicContact CG2-CG 4.35Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 3.14Å
276L92.8Very high89.8Confident61 Ų6143.6 Ų43.632%0.31922%0.222SC..Hα-helixtrans-64-38.2179.4-73.5170.2000111.7K272 S273 V274 L279 F280 L325K272-L276 WeakPolarHBondContact O-CB 3.45Å; K272-L276 VanDerWaalsContact O-CG 3.28Å; K272-L276 WeakPolarHBondContact O-CG 3.34Å; K272-L276 PolarHBondContact O-N 3.3Å; S273-L276 PolarHBondContact O-N 2.94Å; V274-L276 PolarHBondContact O-N 2.94Å; L276-L279 HydrophobicContact CD2-CD1 4.46Å; L276-L279 PolarHBondContact O-N 3.01Å; L276-F280 HydrophobicContact CB-CE2 4.26Å; L276-F280 WeakPolarHBondContact O-CB 3.47Å; L276-F280 VanDerWaalsContact O-CD2 3.22Å; L276-F280 WeakPolarHBondContact O-CD2 3.35Å; L276-F280 WeakPolarHBondContact O-CG 3.36Å; L276-F280 PolarHBondContact O-N 3.27Å; L276-L325 HydrophobicContact CB-CD1 3.94Å; L276-L325 HydrophobicContact CB-CD2 3.75Å; L276-L325 HydrophobicContact CD1-CD1 3.71Å; L276-L325 HydrophobicContact CG-CD1 4.49Å
277S92.9Very high90.6Very high7 Ų742.9 Ų42.95%0.04922%0.222CC..Hα-helixtrans-58.5-45.4172.3-76.80000112S273 V274 I275 Y281 N322 L325S273-S277 PolarHBondContact O-N 2.67Å; S273-S277 PolarHBondContact O-OG 3.36Å; V274-S277 WeakPolarHBondContact O-CB 3.24Å; V274-S277 PolarHBondContact O-N 3.35Å; I275-S277 VanDerWaalsContact C-N 3.33Å; I275-S277 PolarHBondContact O-N 3.1Å; S277-Y281 VanDerWaalsContact O-CB 3.27Å; S277-Y281 WeakPolarHBondContact O-CB 3.43Å; S277-Y281 PolarHBondContact O-N 3.31Å; S277-N322 WeakPolarHBondContact CB-OD1 3.43Å; S277-N322 PolarHBondContact OG-OD1 3.01Å; S277-L325 WeakPolarHBondContact OG-CD2 3.47Å
278L93.3Very high91.4Very high7 Ų741.2 Ų41.24%0.03721%0.212CC..Hα-helixtrans-62.8-47.6174.7179.272.3000111L136 I139 C226 Y230 V274 I275 F280 Y281 L282L136-L278 HydrophobicContact CD1-CD1 4.22Å; I139-L278 HydrophobicContact CG2-CB 4.12Å; I139-L278 HydrophobicContact CG2-CD1 4.25Å; C226-L278 HydrophobicContact CB-CD1 4.02Å; C226-L278 HydrophobicContact CB-CD2 3.75Å; C226-L278 HydrophobicContact CB-CG 4.44Å; Y230-L278 HydrophobicContact CD2-CD2 3.77Å; Y230-L278 HydrophobicContact CE2-CB 3.68Å; Y230-L278 HydrophobicContact CE2-CD2 3.35Å; Y230-L278 HydrophobicContact CE2-CG 4.04Å; V274-L278 PolarHBondContact O-N 3Å; I275-L278 PolarHBondContact O-N 2.66Å; L278-F280 VanDerWaalsContact C-N 3.33Å; L278-F280 PolarHBondContact O-N 3.37Å; L278-Y281 PolarHBondContact O-N 2.93Å; L278-L282 HydrophobicContact CD1-CD1 4.05Å; L278-L282 HydrophobicContact CD1-CD2 4.38Å; L278-L282 HydrophobicContact CD1-CG 3.89Å; L278-L282 HydrophobicContact CD2-CD1 3.88Å; L278-L282 HydrophobicContact CG-CD1 3.78Å; L278-L282 HydrophobicContact CG-CG 3.99Å; L278-L282 WeakPolarHBondContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.29Å
279L94.5Very high92.2Very high90 Ų9039.2 Ų39.247%0.47120%0.203SC..Hα-helixtrans-59.2-45.1-176.5-72174.2000111.7I275 L276 L282 M283I275-L279 HydrophobicContact CG2-CD1 3.96Å; I275-L279 HydrophobicContact CG2-CG 4.35Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 3.14Å; L276-L279 HydrophobicContact CD2-CD1 4.46Å; L276-L279 PolarHBondContact O-N 3.01Å; L279-L282 PolarHBondContact O-N 2.86Å; L279-M283 VanDerWaalsContact O-CB 3.29Å; L279-M283 WeakPolarHBondContact O-CB 3.11Å; L279-M283 PolarHBondContact O-N 3.41Å
280F95.6Very high92.9Very high65 Ų6540.2 Ų40.229%0.28521%0.209SC..Hα-helixtrans-68-37.8176.6-66.8-38.3000112.5L276 L278 M283 S284 Y321L276-F280 HydrophobicContact CB-CE2 4.26Å; L276-F280 WeakPolarHBondContact O-CB 3.47Å; L276-F280 VanDerWaalsContact O-CD2 3.22Å; L276-F280 WeakPolarHBondContact O-CD2 3.35Å; L276-F280 WeakPolarHBondContact O-CG 3.36Å; L276-F280 PolarHBondContact O-N 3.27Å; L278-F280 VanDerWaalsContact C-N 3.33Å; L278-F280 PolarHBondContact O-N 3.37Å; F280-M283 PolarHBondContact O-N 2.83Å; F280-S284 PolarHBondContact O-N 2.86Å; F280-S284 VanDerWaalsContact O-N 3.12Å; F280-S284 PolarHBondContact O-OG 2.98Å; F280-Y321 HydrophobicContact CB-CD2 3.58Å; F280-Y321 HydrophobicContact CB-CE2 4.18Å; F280-Y321 HydrophobicContact CB-CG 3.84Å; F280-Y321 HydrophobicContact CD2-CG 4.37Å; F280-Y321 HydrophobicContact CG-CD2 4.31Å; F280-Y321 HydrophobicContact CG-CG 4.17Å
281Y95.4Very high93.6Very high7 Ų739.4 Ų39.43%0.02720%0.202CC..Hα-helixtrans-60.7-50.1173.7-172.5-79.2000111.1G132 L136 I139 S277 L278 M283 S284 W285 A318G132-Y281 PolarHBondContact O-OH 3.4Å; L136-Y281 HydrophobicContact CB-CE1 3.78Å; L136-Y281 HydrophobicContact CB-CE2 4.22Å; L136-Y281 HydrophobicContact CD1-CD1 3.87Å; L136-Y281 HydrophobicContact CD1-CE1 3.79Å; L136-Y281 HydrophobicContact CD2-CE1 4.03Å; L136-Y281 HydrophobicContact CG-CE1 4.05Å; I139-Y281 HydrophobicContact CD1-CD2 3.77Å; I139-Y281 HydrophobicContact CD1-CG 3.94Å; S277-Y281 VanDerWaalsContact O-CB 3.27Å; S277-Y281 WeakPolarHBondContact O-CB 3.43Å; S277-Y281 PolarHBondContact O-N 3.31Å; L278-Y281 PolarHBondContact O-N 2.93Å; Y281-M283 PolarHBondContact O-N 3.27Å; Y281-S284 WeakPolarHBondContact O-CB 3.2Å; Y281-S284 PolarHBondContact O-N 2.84Å; Y281-S284 VanDerWaalsContact O-N 3.14Å; Y281-W285 HydrophobicContact CD1-CB 4.33Å; Y281-W285 AromaticContact CD1-CD1 3.79Å; Y281-W285 HydrophobicContact CD1-CG 4.29Å; Y281-W285 AromaticContact CD2-CD1 3.84Å; Y281-W285 HydrophobicContact CE1-CB 3.88Å; Y281-W285 AromaticContact CE1-CD1 3.4Å; Y281-W285 AromaticContact CE1-CG 3.67Å; Y281-W285 HydrophobicContact CE1-CG 3.67Å; Y281-W285 AromaticContact CE2-CD1 3.49Å; Y281-W285 VanDerWaalsContact CE2-CD1 3.49Å; Y281-W285 HydrophobicContact CE2-CG 4.4Å; Y281-W285 AromaticContact CE2-NE1 3.45Å; Y281-W285 AromaticContact CG-CD1 3.97Å; Y281-W285 AromaticContact CZ-CD1 3.23Å; Y281-W285 AromaticContact CZ-CG 3.73Å; Y281-W285 AromaticContact CZ-NE1 3.43Å; Y281-W285 PolarHBondContact O-N 3.47Å; Y281-A318 HydrophobicContact CD2-CB 4.11Å; Y281-A318 HydrophobicContact CE2-CB 4.42Å
282L95.9Very high94.2Very high34 Ų3439.3 Ų39.318%0.17820%0.201CC..Hα-helixtrans-63.2-41178.7-71.5-178.9000112.2F219 V223 L278 L279 S284 W285 T286F219-L282 HydrophobicContact CE2-CD2 4.43Å; F219-L282 HydrophobicContact CZ-CD2 4.16Å; V223-L282 HydrophobicContact CG1-CD1 4.47Å; V223-L282 HydrophobicContact CG1-CD2 4.09Å; V223-L282 HydrophobicContact CG2-CD2 3.61Å; L278-L282 HydrophobicContact CD1-CD1 4.05Å; L278-L282 HydrophobicContact CD1-CD2 4.38Å; L278-L282 HydrophobicContact CD1-CG 3.89Å; L278-L282 HydrophobicContact CD2-CD1 3.88Å; L278-L282 HydrophobicContact CG-CD1 3.78Å; L278-L282 HydrophobicContact CG-CG 3.99Å; L278-L282 WeakPolarHBondContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CG 3.41Å; L278-L282 PolarHBondContact O-N 3.29Å; L279-L282 PolarHBondContact O-N 2.86Å; L282-S284 PolarHBondContact O-N 3.5Å; L282-W285 PolarHBondContact O-N 2.95Å; L282-T286 WeakPolarHBondContact O-CB 3.34Å; L282-T286 PolarHBondContact O-N 3.48Å; L282-T286 PolarHBondContact O-OG1 3.15Å
283M95.8Very high94.7Very high127 Ų12735.4 Ų35.463%0.62619%0.186SC*.Hα-helixtrans-58.6-34.7175.6-173.7-178-61.600112L279 F280 Y281 P287L279-M283 VanDerWaalsContact O-CB 3.29Å; L279-M283 WeakPolarHBondContact O-CB 3.11Å; L279-M283 PolarHBondContact O-N 3.41Å; F280-M283 PolarHBondContact O-N 2.83Å; Y281-M283 PolarHBondContact O-N 3.27Å; M283-P287 WeakPolarHBondContact O-CD 3.48Å
284S96.2Very high95.2Very high3 Ų338 Ų382%0.02120%0.198CC..Hα-helixtrans-78.9-49.3179.3-48.30000112.3F280 Y281 L282 A315 Y321F280-S284 PolarHBondContact O-N 2.86Å; F280-S284 VanDerWaalsContact O-N 3.12Å; F280-S284 PolarHBondContact O-OG 2.98Å; Y281-S284 WeakPolarHBondContact O-CB 3.2Å; Y281-S284 PolarHBondContact O-N 2.84Å; Y281-S284 VanDerWaalsContact O-N 3.14Å; L282-S284 PolarHBondContact O-N 3.5Å; S284-A315 VanDerWaalsContact O-CA 3.27Å; S284-A315 WeakPolarHBondContact O-CA 3.37Å; S284-A315 PolarHBondContact O-N 2.93Å; S284-Y321 VanDerWaalsContact OG-CE2 3.27Å; S284-Y321 WeakPolarHBondContact OG-CE2 3.33Å
285W96.5Very high95.5Very high28 Ų2837.3 Ų37.311%0.10620%0.195CC..Hα-helixtrans-90.9-27.9-167.7-79.595.2000114.3F96 F219 Y281 L282 Y288 A289 A315 A318F96-W285 AromaticContact CE2-CH2 3.79Å; F96-W285 HydrophobicContact CE2-CH2 3.79Å; F96-W285 AromaticContact CE2-CZ2 3.61Å; F96-W285 HydrophobicContact CE2-CZ2 3.61Å; F96-W285 HydrophobicContact CZ-CH2 4.03Å; F96-W285 AromaticContact CZ-CZ2 3.75Å; F96-W285 HydrophobicContact CZ-CZ2 3.75Å; F219-W285 HydrophobicContact CE2-CB 4.14Å; Y281-W285 HydrophobicContact CD1-CB 4.33Å; Y281-W285 AromaticContact CD1-CD1 3.79Å; Y281-W285 HydrophobicContact CD1-CG 4.29Å; Y281-W285 AromaticContact CD2-CD1 3.84Å; Y281-W285 HydrophobicContact CE1-CB 3.88Å; Y281-W285 AromaticContact CE1-CD1 3.4Å; Y281-W285 AromaticContact CE1-CG 3.67Å; Y281-W285 HydrophobicContact CE1-CG 3.67Å; Y281-W285 AromaticContact CE2-CD1 3.49Å; Y281-W285 VanDerWaalsContact CE2-CD1 3.49Å; Y281-W285 HydrophobicContact CE2-CG 4.4Å; Y281-W285 AromaticContact CE2-NE1 3.45Å; Y281-W285 AromaticContact CG-CD1 3.97Å; Y281-W285 AromaticContact CZ-CD1 3.23Å; Y281-W285 AromaticContact CZ-CG 3.73Å; Y281-W285 AromaticContact CZ-NE1 3.43Å; Y281-W285 PolarHBondContact O-N 3.47Å; L282-W285 PolarHBondContact O-N 2.95Å; W285-Y288 HydrophobicContact CE3-CD1 4.38Å; W285-Y288 HydrophobicContact CZ3-CD1 4.21Å; W285-Y288 PolarHBondContact O-N 2.95Å; W285-Y288 VanDerWaalsContact O-N 3.12Å; W285-A289 PolarHBondContact O-N 3.3Å; W285-A315 HydrophobicContact CD2-CB 3.9Å; W285-A315 HydrophobicContact CE3-CB 3.94Å; W285-A315 HydrophobicContact CG-CB 4.36Å; W285-A315 HydrophobicContact CZ2-CB 4.49Å; W285-A315 HydrophobicContact CZ3-CB 4.26Å; W285-A318 VanDerWaalsContact NE1-CB 3.27Å
286T96.2Very high95.8Very high49 Ų4937.1 Ų37.130%0.30119%0.194SC..Hα-helixtrans-59.3-42.5-177-560000112.4L282 Y288 A289 M290L282-T286 WeakPolarHBondContact O-CB 3.34Å; L282-T286 PolarHBondContact O-N 3.48Å; L282-T286 PolarHBondContact O-OG1 3.15Å; T286-Y288 VanDerWaalsContact C-N 3.29Å; T286-Y288 PolarHBondContact O-N 2.57Å; T286-A289 PolarHBondContact O-N 3.44Å; T286-M290 HydrophobicContact CG2-CE 4.35Å; T286-M290 HydrophobicContact CG2-CG 4.29Å; T286-M290 WeakPolarHBondContact O-CG 3.23Å; T286-M290 PolarHBondContact O-N 2.86Å
287P97.1Very high95.9Very high56 Ų5639.7 Ų39.736%0.36421%0.207SC..Hα-helixtrans-54.9-43.1175-2938.1000113.2M283 M290 V291 P311M283-P287 WeakPolarHBondContact O-CD 3.48Å; P287-M290 PolarHBondContact O-N 2.94Å; P287-V291 PolarHBondContact O-N 2.9Å; P287-P311 HydrophobicContact CB-CB 3.81Å; P287-P311 HydrophobicContact CB-CG 4.33Å
288Y97Very high96Very high8 Ų841 Ų413%0.03122%0.222CC..Hα-helixtrans-72.4-38.9177.6-172-114.7000112.1E190 T197 Y200 W285 T286 M290 V291 C292 P311 H312E190-Y288 PolarHBondContact OE1-OH 3.15Å; E190-Y288 WeakPolarHBondContact OE2-CE2 3.33Å; E190-Y288 PolarHBondContact OE2-OH 2.87Å; T197-Y288 WeakPolarHBondContact CB-OH 3.29Å; T197-Y288 PolarHBondContact OG1-OH 2.86Å; Y200-Y288 HydrophobicContact CE1-CE2 4.42Å; Y200-Y288 WeakPolarHBondContact CE1-OH 3.28Å; W285-Y288 HydrophobicContact CE3-CD1 4.38Å; W285-Y288 HydrophobicContact CZ3-CD1 4.21Å; W285-Y288 PolarHBondContact O-N 2.95Å; W285-Y288 VanDerWaalsContact O-N 3.12Å; T286-Y288 VanDerWaalsContact C-N 3.29Å; T286-Y288 PolarHBondContact O-N 2.57Å; Y288-M290 PolarHBondContact O-N 3.43Å; Y288-V291 WeakPolarHBondContact O-CB 3.28Å; Y288-V291 PolarHBondContact O-N 3.04Å; Y288-V291 VanDerWaalsContact O-N 3.1Å; Y288-C292 PolarHBondContact O-N 2.88Å; Y288-C292 PolarHBondContact O-SG 3Å; Y288-P311 HydrophobicContact CD2-CB 4.48Å; Y288-H312 HydrophobicContact CD2-CB 3.58Å; Y288-H312 HydrophobicContact CE2-CB 3.51Å; Y288-H312 AromaticContact CE2-CG 3.91Å; Y288-H312 HydrophobicContact CG-CB 4.4Å
289A97.1Very high96Very high10 Ų1044.5 Ų44.58%0.08324%0.238CC..Hα-helixtrans-58-37.9172.800000111.5Y215 F219 W285 T286 C292 L293Y215-A289 HydrophobicContact CE2-CB 4.02Å; Y215-A289 WeakPolarHBondContact CE2-O 3.47Å; F219-A289 HydrophobicContact CD1-CB 4.06Å; F219-A289 HydrophobicContact CE1-CB 3.73Å; F219-A289 HydrophobicContact CE2-CB 4.24Å; F219-A289 HydrophobicContact CG-CB 4.46Å; F219-A289 HydrophobicContact CZ-CB 3.83Å; W285-A289 PolarHBondContact O-N 3.3Å; T286-A289 PolarHBondContact O-N 3.44Å; A289-C292 PolarHBondContact O-N 3.1Å; A289-L293 WeakPolarHBondContact O-CB 3.39Å; A289-L293 PolarHBondContact O-N 3.35Å
290M96.9Very high96Very high74 Ų7441.1 Ų41.137%0.36522%0.222SC..Hα-helixtrans-66.2-39.1174.8-67.7-58.399.900112.6Y215 T286 P287 Y288 C292 L293 I294Y215-M290 VanDerWaalsContact OH-CE 3.27Å; Y215-M290 WeakPolarHBondContact OH-CE 3.48Å; T286-M290 HydrophobicContact CG2-CE 4.35Å; T286-M290 HydrophobicContact CG2-CG 4.29Å; T286-M290 WeakPolarHBondContact O-CG 3.23Å; T286-M290 PolarHBondContact O-N 2.86Å; P287-M290 PolarHBondContact O-N 2.94Å; Y288-M290 PolarHBondContact O-N 3.43Å; M290-C292 VanDerWaalsContact C-N 3.33Å; M290-C292 PolarHBondContact O-N 2.96Å; M290-L293 HydrophobicContact CE-CD2 4.11Å; M290-L293 PolarHBondContact O-N 2.93Å; M290-L293 HydrophobicContact SD-CD2 4.26Å; M290-I294 WeakPolarHBondContact O-CB 3.27Å; M290-I294 VanDerWaalsContact O-CG1 3.24Å; M290-I294 WeakPolarHBondContact O-CG1 3.29Å; M290-I294 PolarHBondContact O-N 2.7Å
291V97.1Very high95.8Very high5 Ų544.1 Ų44.13%0.0323%0.232CC..Hα-helixtrans-56.5-49.5172.3168.70000110.3Y200 P287 Y288 L293 I294 S295 L303 I307 A308 P311Y200-V291 HydrophobicContact CE2-CG1 4.19Å; P287-V291 PolarHBondContact O-N 2.9Å; Y288-V291 WeakPolarHBondContact O-CB 3.28Å; Y288-V291 PolarHBondContact O-N 3.04Å; Y288-V291 VanDerWaalsContact O-N 3.1Å; V291-L293 PolarHBondContact O-N 2.76Å; V291-I294 PolarHBondContact O-N 3.42Å; V291-S295 PolarHBondContact O-N 2.9Å; V291-L303 HydrophobicContact CG1-CD1 3.99Å; V291-L303 HydrophobicContact CG1-CD2 4.01Å; V291-I307 WeakPolarHBondContact CG2-O 3.46Å; V291-A308 HydrophobicContact CG1-CB 4.32Å; V291-P311 HydrophobicContact CG2-CB 4.24Å; V291-P311 HydrophobicContact CG2-CG 4.01Å
292C96.6Very high95.7Very high4 Ų449.3 Ų49.33%0.02726%0.255CS..Hα-helixtrans-62.6-42.3177.9-60.70000111.7F198 Y288 A289 M290 S295 I296F198-C292 HydrophobicContact CZ-CB 4.4Å; Y288-C292 PolarHBondContact O-N 2.88Å; Y288-C292 PolarHBondContact O-SG 3Å; A289-C292 PolarHBondContact O-N 3.1Å; M290-C292 VanDerWaalsContact C-N 3.33Å; M290-C292 PolarHBondContact O-N 2.96Å; C292-S295 WeakPolarHBondContact O-CB 3.44Å; C292-S295 PolarHBondContact O-N 3.48Å; C292-I296 WeakPolarHBondContact O-CB 3.15Å; C292-I296 WeakPolarHBondContact O-CD1 3.18Å; C292-I296 VanDerWaalsContact O-CG1 3.24Å; C292-I296 WeakPolarHBondContact O-CG1 3.33Å; C292-I296 PolarHBondContact O-N 3.24Å
293L97Very high95.7Very high46 Ų4647.7 Ų47.724%0.24125%0.247CC..Hα-helixtrans-62.3-47.3178.6-17964.8000112Y215 A289 M290 V291 S295 I296 L297Y215-L293 HydrophobicContact CE1-CD1 4.01Å; Y215-L293 HydrophobicContact CE2-CB 3.86Å; Y215-L293 HydrophobicContact CE2-CD1 4.48Å; A289-L293 WeakPolarHBondContact O-CB 3.39Å; A289-L293 PolarHBondContact O-N 3.35Å; M290-L293 HydrophobicContact CE-CD2 4.11Å; M290-L293 PolarHBondContact O-N 2.93Å; M290-L293 HydrophobicContact SD-CD2 4.26Å; V291-L293 PolarHBondContact O-N 2.76Å; L293-S295 PolarHBondContact O-N 3.49Å; L293-I296 PolarHBondContact O-N 2.94Å; L293-L297 HydrophobicContact CD1-CD1 4.12Å; L293-L297 HydrophobicContact CD1-CG 4.12Å; L293-L297 HydrophobicContact CD2-CD1 4.49Å; L293-L297 HydrophobicContact CG-CD1 3.91Å; L293-L297 HydrophobicContact CG-CG 4.31Å; L293-L297 WeakPolarHBondContact O-CB 3.17Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.41Å; L293-L297 PolarHBondContact O-N 2.91Å
294I96.6Very high95.7Very high63 Ų6344 Ų4432%0.32323%0.232SC..Hα-helixtrans-53.4-43.3176.2-72.8165.2000110M290 V291 L297 Q299 L303M290-I294 WeakPolarHBondContact O-CB 3.27Å; M290-I294 VanDerWaalsContact O-CG1 3.24Å; M290-I294 WeakPolarHBondContact O-CG1 3.29Å; M290-I294 PolarHBondContact O-N 2.7Å; V291-I294 PolarHBondContact O-N 3.42Å; I294-L297 PolarHBondContact O-N 2.88Å; I294-Q299 HydrophobicContact CG2-CB 3.88Å; I294-Q299 WeakPolarHBondContact CG2-O 3.29Å; I294-Q299 WeakPolarHBondContact O-CA 3.4Å; I294-Q299 WeakPolarHBondContact O-CB 3.45Å; I294-Q299 PolarHBondContact O-N 3.48Å; I294-L303 HydrophobicContact CB-CD2 4.49Å; I294-L303 HydrophobicContact CG2-CD2 4.05Å; I294-L303 HydrophobicContact CG2-CG 4.4Å
295S95.4Very high95.6Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-67.9-46.8178.6-158.70000113.1Y200 I201 V291 C292 L293 L297 G298Y200-S295 WeakPolarHBondContact O-CB 3.46Å; Y200-S295 PolarHBondContact O-OG 2.77Å; I201-S295 WeakPolarHBondContact CA-OG 3.26Å; V291-S295 PolarHBondContact O-N 2.9Å; C292-S295 WeakPolarHBondContact O-CB 3.44Å; C292-S295 PolarHBondContact O-N 3.48Å; L293-S295 PolarHBondContact O-N 3.49Å; S295-L297 PolarHBondContact O-N 2.98Å; S295-G298 WeakPolarHBondContact O-CA 3.2Å; S295-G298 PolarHBondContact O-N 3.43Å
296I95.4Very high95.5Very high36 Ų3646 Ų4619%0.18525%0.247CC..Hα-helixtrans-58.5-33.5176.1-70.7163.4000111.4L208 Y215 C292 L293 G298L208-I296 HydrophobicContact CD1-CG2 4.03Å; Y215-I296 HydrophobicContact CG-CD1 4.44Å; C292-I296 WeakPolarHBondContact O-CB 3.15Å; C292-I296 WeakPolarHBondContact O-CD1 3.18Å; C292-I296 VanDerWaalsContact O-CG1 3.24Å; C292-I296 WeakPolarHBondContact O-CG1 3.33Å; C292-I296 PolarHBondContact O-N 3.24Å; L293-I296 PolarHBondContact O-N 2.94Å; I296-G298 PolarHBondContact O-N 2.97Å
297L95.6Very high95.4Very high114 Ų11447.6 Ų47.660%0.59725%0.253SS*.THydrogen-bonded Turntrans-77.39.1175.2-65.2175.3000113.6L293 I294 S295 Q299L293-L297 HydrophobicContact CD1-CD1 4.12Å; L293-L297 HydrophobicContact CD1-CG 4.12Å; L293-L297 HydrophobicContact CD2-CD1 4.49Å; L293-L297 HydrophobicContact CG-CD1 3.91Å; L293-L297 HydrophobicContact CG-CG 4.31Å; L293-L297 WeakPolarHBondContact O-CB 3.17Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.41Å; L293-L297 PolarHBondContact O-N 2.91Å; I294-L297 PolarHBondContact O-N 2.88Å; S295-L297 PolarHBondContact O-N 2.98Å; L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 3.44Å
298G93.9Very high95.3Very high36 Ų3645 Ų4537%0.37124%0.236SC..THydrogen-bonded Turntrans77.612.1178.200000114.3S295 I296S295-G298 WeakPolarHBondContact O-CA 3.2Å; S295-G298 PolarHBondContact O-N 3.43Å; I296-G298 PolarHBondContact O-N 2.97Å
299Q94.8Very high95.2Very high79 Ų7944.6 Ų44.637%0.36923%0.234SC..  trans-103.330.6-175-55.3-68.4-40.700112.1I294 L297 Y301 F302I294-Q299 HydrophobicContact CG2-CB 3.88Å; I294-Q299 WeakPolarHBondContact CG2-O 3.29Å; I294-Q299 WeakPolarHBondContact O-CA 3.4Å; I294-Q299 WeakPolarHBondContact O-CB 3.45Å; I294-Q299 PolarHBondContact O-N 3.48Å; L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 3.44Å; Q299-Y301 HydrophobicContact CB-CE1 4.3Å; Q299-Y301 PolarHBondContact O-N 2.84Å; Q299-Y301 VanDerWaalsContact O-N 3.1Å; Q299-Y301 VanDerWaalsContact OE1-CZ 3.25Å; Q299-Y301 PolarHBondContact OE1-OH 3.19Å; Q299-F302 HydrophobicContact CB-CD2 3.92Å; Q299-F302 HydrophobicContact CB-CE2 4.22Å; Q299-F302 PolarHBondContact O-N 3.14Å
300S93Very high95.1Very high19 Ų1946.7 Ų46.713%0.13324%0.243CC..G310 helixtrans-61.6-18.9-177.2600000114.1H35 F302 L303H35-S300 PolarHBondContact CE1-O 3.03Å; S300-F302 PolarHBondContact O-N 2.81Å; S300-L303 WeakPolarHBondContact O-CB 3.29Å; S300-L303 PolarHBondContact O-N 2.91Å
301Y92.5Very high95.1Very high128 Ų12844.2 Ų44.250%0.50223%0.232SC..G310 helixtrans-62.8-22.1176.669.5-91.8000114Q299 L303Q299-Y301 HydrophobicContact CB-CE1 4.3Å; Q299-Y301 PolarHBondContact O-N 2.84Å; Q299-Y301 VanDerWaalsContact O-N 3.1Å; Q299-Y301 VanDerWaalsContact OE1-CZ 3.25Å; Q299-Y301 PolarHBondContact OE1-OH 3.19Å; Y301-L303 VanDerWaalsContact C-N 3.26Å
302F93.5Very high94.9Very high116 Ų11644 Ų4451%0.50923%0.231SC..G310 helixtrans-75.1-14.9172.8-69.3-63.4000113.4Q299 S300 T304Q299-F302 HydrophobicContact CB-CD2 3.92Å; Q299-F302 HydrophobicContact CB-CE2 4.22Å; Q299-F302 PolarHBondContact O-N 3.14Å; S300-F302 PolarHBondContact O-N 2.81Å; F302-T304 PolarHBondContact O-N 3.45Å
303L95.1Very high94.7Very high1 Ų144.1 Ų44.11%0.00523%0.231CC..  trans-85.3104.6-173.9-56.3-176.5000110.6H35 W36 Y39 Y200 I201 V291 I294 S300 Y301 I307H35-L303 PolarHBondContact NE2-O 3.13Å; W36-L303 HydrophobicContact CH2-CB 4.39Å; Y39-L303 PolarHBondContact OH-O 3.31Å; Y200-L303 HydrophobicContact CD2-CD1 4.49Å; Y200-L303 HydrophobicContact CE2-CD1 4.15Å; I201-L303 HydrophobicContact CD1-CD1 3.88Å; V291-L303 HydrophobicContact CG1-CD1 3.99Å; V291-L303 HydrophobicContact CG1-CD2 4.01Å; I294-L303 HydrophobicContact CB-CD2 4.49Å; I294-L303 HydrophobicContact CG2-CD2 4.05Å; I294-L303 HydrophobicContact CG2-CG 4.4Å; S300-L303 WeakPolarHBondContact O-CB 3.29Å; S300-L303 PolarHBondContact O-N 2.91Å; Y301-L303 VanDerWaalsContact C-N 3.26Å; L303-I307 HydrophobicContact CD2-CG2 4.08Å
304T95.2Very high94.5Very high49 Ų4947.1 Ų47.130%0.30124%0.243SC..  trans-86161.2166.668.70000110.5Y39 F302 T306 I307 A308Y39-T304 HydrophobicContact CE1-CG2 4.29Å; F302-T304 PolarHBondContact O-N 3.45Å; T304-T306 PolarHBondContact O-N 2.84Å; T304-I307 HydrophobicContact CG2-CD1 4.26Å; T304-I307 PolarHBondContact O-N 3.34Å; T304-I307 VanDerWaalsContact O-N 3.11Å; T304-I307 WeakPolarHBondContact OG1-CB 3.32Å; T304-I307 WeakPolarHBondContact OG1-CD1 3.38Å; T304-I307 VanDerWaalsContact OG1-CG1 3.29Å; T304-I307 WeakPolarHBondContact OG1-CG1 3.26Å; T304-I307 PolarHBondContact OG1-N 2.74Å; T304-A308 PolarHBondContact O-N 3.5Å
305P94.6Very high94.4Very high9 Ų944.1 Ų44.16%0.05823%0.227CC..Hα-helixtrans-50.8-43.9176.4-29.435000112.9F18 W36 Y39 Y192 A308 E309F18-P305 HydrophobicContact CE2-CB 4.11Å; F18-P305 HydrophobicContact CE2-CG 3.71Å; F18-P305 HydrophobicContact CZ-CB 4.36Å; F18-P305 HydrophobicContact CZ-CG 4.43Å; W36-P305 HydrophobicContact CE3-CG 4.26Å; W36-P305 HydrophobicContact CZ3-CG 4.41Å; Y39-P305 HydrophobicContact CD1-CG 4.07Å; Y39-P305 HydrophobicContact CD2-CG 4.04Å; Y39-P305 HydrophobicContact CG-CG 3.67Å; Y192-P305 HydrophobicContact CD1-CB 3.96Å; Y192-P305 HydrophobicContact CE1-CB 4.13Å; P305-A308 PolarHBondContact O-N 3.49Å; P305-E309 WeakPolarHBondContact O-CB 3.03Å; P305-E309 PolarHBondContact O-N 3.47Å
306T94.7Very high94.2Very high63 Ų6344.4 Ų44.439%0.38723%0.228SC..Hα-helixtrans-69.9-38179.9-54.10000112.8Y192 T304 A308 E309 M310Y192-T306 PolarHBondContact OH-OG1 3.46Å; Y192-T306 VanDerWaalsContact OH-OG1 3.05Å; T304-T306 PolarHBondContact O-N 2.84Å; T306-A308 VanDerWaalsContact C-N 3.31Å; T306-A308 PolarHBondContact O-N 2.85Å; T306-E309 PolarHBondContact O-N 2.84Å; T306-M310 HydrophobicContact CG2-CE 4.25Å; T306-M310 HydrophobicContact CG2-CG 3.78Å; T306-M310 WeakPolarHBondContact O-CB 3.34Å; T306-M310 WeakPolarHBondContact O-CG 3.28Å; T306-M310 PolarHBondContact O-N 3.33Å
307I94.7Very high94.1Very high84 Ų8444.5 Ų44.543%0.43123%0.229SC..Hα-helixtrans-67.4-32.6177.7-71.6172.5000111.3V291 L303 T304 P311V291-I307 WeakPolarHBondContact CG2-O 3.46Å; L303-I307 HydrophobicContact CD2-CG2 4.08Å; T304-I307 HydrophobicContact CG2-CD1 4.26Å; T304-I307 PolarHBondContact O-N 3.34Å; T304-I307 VanDerWaalsContact O-N 3.11Å; T304-I307 WeakPolarHBondContact OG1-CB 3.32Å; T304-I307 WeakPolarHBondContact OG1-CD1 3.38Å; T304-I307 VanDerWaalsContact OG1-CG1 3.29Å; T304-I307 WeakPolarHBondContact OG1-CG1 3.26Å; T304-I307 PolarHBondContact OG1-N 2.74Å; I307-P311 WeakPolarHBondContact O-CD 3.42Å; I307-P311 VanDerWaalsContact O-CG 3.23Å; I307-P311 WeakPolarHBondContact O-CG 3.31Å
308A95.5Very high94Very high0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-78-45.4173.400000112.2W36 V291 T304 P305 T306 H312W36-A308 HydrophobicContact CH2-CB 3.73Å; W36-A308 HydrophobicContact CZ2-CB 4.33Å; V291-A308 HydrophobicContact CG1-CB 4.32Å; T304-A308 PolarHBondContact O-N 3.5Å; P305-A308 PolarHBondContact O-N 3.49Å; T306-A308 VanDerWaalsContact C-N 3.31Å; T306-A308 PolarHBondContact O-N 2.85Å; A308-H312 WeakPolarHBondContact O-CB 3.48Å; A308-H312 PolarHBondContact O-N 3.23Å
309E94.6Very high94Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-69-46.7-172.7-175.772.2-157.900112.8K105 G191 Y192 P305 T306 H312 I313K105-E309 WeakPolarHBondContact CE-OE1 3.44Å; K105-E309 IonicContact NZ-OE1 3.92Å; K105-E309 PolarHBondContact NZ-OE1 3.13Å; K105-E309 IonicContact NZ-OE2 2.88Å; G191-E309 WeakPolarHBondContact CA-OE2 3.46Å; Y192-E309 HydrophobicContact CD1-CB 3.83Å; Y192-E309 HydrophobicContact CD1-CG 3.86Å; Y192-E309 HydrophobicContact CD2-CG 3.72Å; Y192-E309 HydrophobicContact CE1-CB 3.97Å; Y192-E309 HydrophobicContact CE1-CG 4.16Å; Y192-E309 HydrophobicContact CE2-CG 4.03Å; Y192-E309 HydrophobicContact CG-CB 4.14Å; Y192-E309 HydrophobicContact CG-CG 3.63Å; Y192-E309 PolarHBondContact N-OE2 3.35Å; P305-E309 WeakPolarHBondContact O-CB 3.03Å; P305-E309 PolarHBondContact O-N 3.47Å; T306-E309 PolarHBondContact O-N 2.84Å; E309-H312 WeakPolarHBondContact O-CB 3.19Å; E309-H312 PolarHBondContact O-N 2.91Å; E309-I313 HydrophobicContact CG-CD1 3.58Å; E309-I313 HydrophobicContact CG-CG1 4.3Å; E309-I313 WeakPolarHBondContact O-CG1 3.43Å; E309-I313 PolarHBondContact O-N 3.4Å
310M94.7Very high94.1Very high54 Ų5434.6 Ų34.627%0.26617%0.171SC..Hα-helixtrans-63.1-51.5-172.4-68.3-66.4165.300112.3Y192 T306 H312 I313 F314Y192-M310 HydrophobicContact CE2-CE 4.21Å; Y192-M310 WeakPolarHBondContact OH-CE 3.36Å; T306-M310 HydrophobicContact CG2-CE 4.25Å; T306-M310 HydrophobicContact CG2-CG 3.78Å; T306-M310 WeakPolarHBondContact O-CB 3.34Å; T306-M310 WeakPolarHBondContact O-CG 3.28Å; T306-M310 PolarHBondContact O-N 3.33Å; M310-H312 VanDerWaalsContact C-N 3.27Å; M310-H312 PolarHBondContact O-N 3.26Å; M310-I313 PolarHBondContact O-N 3.38Å; M310-I313 VanDerWaalsContact O-N 3.13Å; M310-I313 HydrophobicContact SD-CD1 4.39Å; M310-F314 WeakPolarHBondContact O-CD2 3.47Å; M310-F314 PolarHBondContact O-N 3.25Å
311P95.8Very high94.2Very high22 Ų2235.8 Ų35.814%0.14317%0.173CC..Hα-helixtrans-55-39.7172.6-29.740000113.8P287 Y288 V291 I307 I313 F314 A315P287-P311 HydrophobicContact CB-CB 3.81Å; P287-P311 HydrophobicContact CB-CG 4.33Å; Y288-P311 HydrophobicContact CD2-CB 4.48Å; V291-P311 HydrophobicContact CG2-CB 4.24Å; V291-P311 HydrophobicContact CG2-CG 4.01Å; I307-P311 WeakPolarHBondContact O-CD 3.42Å; I307-P311 VanDerWaalsContact O-CG 3.23Å; I307-P311 WeakPolarHBondContact O-CG 3.31Å; P311-I313 VanDerWaalsContact C-N 3.33Å; P311-I313 PolarHBondContact O-N 3.02Å; P311-F314 PolarHBondContact O-N 3.1Å; P311-A315 WeakPolarHBondContact O-CB 3.36Å; P311-A315 PolarHBondContact O-N 3.37Å
312H93.6Very high94.2Very high2 Ų229.9 Ų29.91%0.00915%0.15CC..Hα-helixtrans-63.8-38177.6179.7-146.5000112.4E190 Y288 A308 E309 M310 K316E190-H312 IonicContact OE1-CD2 2.98Å; E190-H312 IonicContact OE1-CE1 3.38Å; E190-H312 PolarHBondContact OE1-CE1 2.95Å; E190-H312 IonicContact OE1-CG 2.87Å; E190-H312 IonicContact OE1-ND1 2.74Å; E190-H312 PolarHBondContact OE1-ND1 2.93Å; E190-H312 IonicContact OE1-NE2 3.99Å; Y288-H312 HydrophobicContact CD2-CB 3.58Å; Y288-H312 HydrophobicContact CE2-CB 3.51Å; Y288-H312 AromaticContact CE2-CG 3.91Å; Y288-H312 HydrophobicContact CG-CB 4.4Å; A308-H312 WeakPolarHBondContact O-CB 3.48Å; A308-H312 PolarHBondContact O-N 3.23Å; E309-H312 WeakPolarHBondContact O-CB 3.19Å; E309-H312 PolarHBondContact O-N 2.91Å; M310-H312 VanDerWaalsContact C-N 3.27Å; M310-H312 PolarHBondContact O-N 3.26Å; H312-K316 PolarHBondContact CE1-NZ 3.3Å; H312-K316 PolarHBondContact NE2-NZ 3.35Å
313I92.6Very high94.1Very high6 Ų624.6 Ų24.63%0.03113%0.127CC..Hα-helixtrans-68.8-45.9176-66.5160.2000110.9V50 F53 V54 E309 M310 P311 A315 K316V50-I313 HydrophobicContact CB-CD1 4.07Å; V50-I313 HydrophobicContact CG1-CD1 3.5Å; V50-I313 HydrophobicContact CG1-CG1 4.05Å; V50-I313 HydrophobicContact CG2-CD1 3.37Å; F53-I313 HydrophobicContact CD1-CG2 3.39Å; F53-I313 HydrophobicContact CE1-CG2 3.46Å; F53-I313 VanDerWaalsContact CE1-CG2 3.46Å; V54-I313 HydrophobicContact CG2-CG2 4.02Å; E309-I313 HydrophobicContact CG-CD1 3.58Å; E309-I313 HydrophobicContact CG-CG1 4.3Å; E309-I313 WeakPolarHBondContact O-CG1 3.43Å; E309-I313 PolarHBondContact O-N 3.4Å; M310-I313 PolarHBondContact O-N 3.38Å; M310-I313 VanDerWaalsContact O-N 3.13Å; M310-I313 HydrophobicContact SD-CD1 4.39Å; P311-I313 VanDerWaalsContact C-N 3.33Å; P311-I313 PolarHBondContact O-N 3.02Å; I313-A315 VanDerWaalsContact C-N 3.26Å; I313-A315 PolarHBondContact O-N 3.21Å; I313-K316 VanDerWaalsContact O-CB 3.28Å; I313-K316 WeakPolarHBondContact O-CB 3.19Å; I313-K316 WeakPolarHBondContact O-CG 3.48Å; I313-K316 PolarHBondContact O-N 2.97Å
314F91.9Very high94Very high109 Ų10927.6 Ų27.648%0.47814%0.143SC..Hα-helixtrans-63.2-32.4178.3-78.3-69.7000112.5M310 P311 K316 M317M310-F314 WeakPolarHBondContact O-CD2 3.47Å; M310-F314 PolarHBondContact O-N 3.25Å; P311-F314 PolarHBondContact O-N 3.1Å; F314-K316 PolarHBondContact O-N 3.41Å; F314-K316 VanDerWaalsContact O-N 3.11Å; F314-M317 HydrophobicContact CD1-SD 3.88Å; F314-M317 HydrophobicContact CE1-SD 4.46Å; F314-M317 WeakPolarHBondContact O-CB 3.44Å; F314-M317 WeakPolarHBondContact O-CG 3.34Å; F314-M317 PolarHBondContact O-N 3.48Å
315A94.2Very high93.9Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-55.1-29.9172.900000112.8S284 W285 P311 I313 M317 A318S284-A315 VanDerWaalsContact O-CA 3.27Å; S284-A315 WeakPolarHBondContact O-CA 3.37Å; S284-A315 PolarHBondContact O-N 2.93Å; W285-A315 HydrophobicContact CD2-CB 3.9Å; W285-A315 HydrophobicContact CE3-CB 3.94Å; W285-A315 HydrophobicContact CG-CB 4.36Å; W285-A315 HydrophobicContact CZ2-CB 4.49Å; W285-A315 HydrophobicContact CZ3-CB 4.26Å; P311-A315 WeakPolarHBondContact O-CB 3.36Å; P311-A315 PolarHBondContact O-N 3.37Å; I313-A315 VanDerWaalsContact C-N 3.26Å; I313-A315 PolarHBondContact O-N 3.21Å; A315-M317 PolarHBondContact O-N 2.91Å; A315-A318 VanDerWaalsContact O-CB 3.31Å; A315-A318 WeakPolarHBondContact O-CB 3.37Å; A315-A318 PolarHBondContact O-N 3.29Å
316K91.3Very high93.7Very high5 Ų525.9 Ų25.92%0.02213%0.13CC..THydrogen-bonded Turntrans-67.1-20.9179.7-53.1-176.6-165.7-57.80113.4V54 I57 F96 I100 Y124 H312 I313 F314 A318 A319V54-K316 HydrophobicContact CG1-CD 4.19Å; V54-K316 HydrophobicContact CG2-CD 4.18Å; I57-K316 HydrophobicContact CG2-CB 4.37Å; I57-K316 WeakPolarHBondContact CG2-O 3.48Å; F96-K316 HydrophobicContact CE1-CB 4.03Å; F96-K316 HydrophobicContact CE1-CG 4.02Å; F96-K316 HydrophobicContact CZ-CG 4.29Å; I100-K316 HydrophobicContact CG2-CD 3.69Å; I100-K316 HydrophobicContact CG2-CG 4.13Å; Y124-K316 PolarHBondContact OH-NZ 2.88Å; H312-K316 PolarHBondContact CE1-NZ 3.3Å; H312-K316 PolarHBondContact NE2-NZ 3.35Å; I313-K316 VanDerWaalsContact O-CB 3.28Å; I313-K316 WeakPolarHBondContact O-CB 3.19Å; I313-K316 WeakPolarHBondContact O-CG 3.48Å; I313-K316 PolarHBondContact O-N 2.97Å; F314-K316 PolarHBondContact O-N 3.41Å; F314-K316 VanDerWaalsContact O-N 3.11Å; K316-A318 PolarHBondContact O-N 3.49Å; K316-A319 PolarHBondContact O-N 3.19Å
317M93.5Very high93.4Very high39 Ų3923.7 Ų23.719%0.19212%0.119CC..THydrogen-bonded Turntrans-64.7-21.8175.9-62-173.975.700112.9F53 I57 F314 A315 A319 I320 Y321F53-M317 HydrophobicContact CE1-CG 4.37Å; F53-M317 HydrophobicContact CZ-CG 3.75Å; F53-M317 HydrophobicContact CZ-SD 3.84Å; I57-M317 HydrophobicContact CD1-CG 4.27Å; F314-M317 HydrophobicContact CD1-SD 3.88Å; F314-M317 HydrophobicContact CE1-SD 4.46Å; F314-M317 WeakPolarHBondContact O-CB 3.44Å; F314-M317 WeakPolarHBondContact O-CG 3.34Å; F314-M317 PolarHBondContact O-N 3.48Å; A315-M317 PolarHBondContact O-N 2.91Å; M317-A319 PolarHBondContact O-N 3.45Å; M317-A319 VanDerWaalsContact O-N 3.1Å; M317-I320 WeakPolarHBondContact O-CG1 3.25Å; M317-I320 PolarHBondContact O-N 2.94Å; M317-Y321 HydrophobicContact CB-CE2 3.75Å; M317-Y321 HydrophobicContact CE-CE1 4.33Å; M317-Y321 VanDerWaalsContact CE-OH 3.25Å; M317-Y321 WeakPolarHBondContact CE-OH 2.99Å; M317-Y321 VanDerWaalsContact O-CD2 3.25Å; M317-Y321 WeakPolarHBondContact O-CD2 3.42Å; M317-Y321 WeakPolarHBondContact O-CE2 3.46Å
318A95.2Very high93Very high5 Ų526.8 Ų26.84%0.04113%0.129CC..Hα-helixtrans-52.2-37.5179.400000112.9Y281 W285 A315 K316 I320Y281-A318 HydrophobicContact CD2-CB 4.11Å; Y281-A318 HydrophobicContact CE2-CB 4.42Å; W285-A318 VanDerWaalsContact NE1-CB 3.27Å; A315-A318 VanDerWaalsContact O-CB 3.31Å; A315-A318 WeakPolarHBondContact O-CB 3.37Å; A315-A318 PolarHBondContact O-N 3.29Å; K316-A318 PolarHBondContact O-N 3.49Å; A318-I320 VanDerWaalsContact C-N 3.27Å; A318-I320 PolarHBondContact O-N 2.9Å
319A94Very high92.4Very high1 Ų128.3 Ų28.31%0.00814%0.139CC..Hα-helixtrans-71.2-15.9-176.300000114.3N65 D93 F96 S97 K316 M317N65-A319 PolarHBondContact ND2-O 3.22Å; D93-A319 HydrophobicContact CB-CB 3.93Å; F96-A319 HydrophobicContact CD1-CB 4.1Å; S97-A319 WeakPolarHBondContact OG-CB 3.49Å; K316-A319 PolarHBondContact O-N 3.19Å; M317-A319 PolarHBondContact O-N 3.45Å; M317-A319 VanDerWaalsContact O-N 3.1Å
320I95.2Very high91.9Very high14 Ų1429.9 Ų29.97%0.07215%0.147CC..Hα-helixtrans-100-18.3-178.664.7155000113.4I57 F60 M317 A318 I324I57-I320 HydrophobicContact CD1-CD1 3.56Å; I57-I320 HydrophobicContact CD1-CG1 4.34Å; I57-I320 HydrophobicContact CG2-CG2 3.98Å; F60-I320 HydrophobicContact CD1-CB 3.86Å; F60-I320 HydrophobicContact CD1-CD1 4.39Å; F60-I320 HydrophobicContact CD1-CG2 3.78Å; F60-I320 HydrophobicContact CE1-CB 4.11Å; M317-I320 WeakPolarHBondContact O-CG1 3.25Å; M317-I320 PolarHBondContact O-N 2.94Å; A318-I320 VanDerWaalsContact C-N 3.27Å; A318-I320 PolarHBondContact O-N 2.9Å; I320-I324 HydrophobicContact CD1-CD1 4.44Å; I320-I324 WeakPolarHBondContact O-CD1 3.14Å; I320-I324 VanDerWaalsContact O-CG1 3.3Å; I320-I324 WeakPolarHBondContact O-CG1 3.27Å
321Y95Very high91.3Very high45 Ų4533.5 Ų33.518%0.17616%0.158CC..Hα-helixtrans-70.9-33.8-174.9-66-49000113.2F280 S284 M317 I324 L325F280-Y321 HydrophobicContact CB-CD2 3.58Å; F280-Y321 HydrophobicContact CB-CE2 4.18Å; F280-Y321 HydrophobicContact CB-CG 3.84Å; F280-Y321 HydrophobicContact CD2-CG 4.37Å; F280-Y321 HydrophobicContact CG-CD2 4.31Å; F280-Y321 HydrophobicContact CG-CG 4.17Å; S284-Y321 VanDerWaalsContact OG-CE2 3.27Å; S284-Y321 WeakPolarHBondContact OG-CE2 3.33Å; M317-Y321 HydrophobicContact CB-CE2 3.75Å; M317-Y321 HydrophobicContact CE-CE1 4.33Å; M317-Y321 VanDerWaalsContact CE-OH 3.25Å; M317-Y321 WeakPolarHBondContact CE-OH 2.99Å; M317-Y321 VanDerWaalsContact O-CD2 3.25Å; M317-Y321 WeakPolarHBondContact O-CD2 3.42Å; M317-Y321 WeakPolarHBondContact O-CE2 3.46Å; Y321-I324 PolarHBondContact O-N 3.05Å; Y321-L325 VanDerWaalsContact O-CB 3.3Å; Y321-L325 WeakPolarHBondContact O-CB 3.44Å; Y321-L325 PolarHBondContact O-N 2.6Å
322N92.9Very high90.6Very high3 Ų334.8 Ų34.82%0.01616%0.161CC..Hα-helixtrans-64.1-52.2-176.7-68.8-40.9000112.7D93 S277 I324 L325 Y326D93-N322 PolarHBondContact OD2-ND2 2.85Å; S277-N322 WeakPolarHBondContact CB-OD1 3.43Å; S277-N322 PolarHBondContact OG-OD1 3.01Å; N322-I324 VanDerWaalsContact C-N 3.32Å; N322-I324 PolarHBondContact O-N 3.22Å; N322-L325 PolarHBondContact O-N 3.09Å; N322-Y326 HydrophobicContact CB-CE2 4.12Å; N322-Y326 VanDerWaalsContact O-CD2 3.23Å; N322-Y326 WeakPolarHBondContact O-CD2 3.17Å; N322-Y326 VanDerWaalsContact O-CG 3.23Å; N322-Y326 PolarHBondContact O-N 3.25Å
323P93Very high90.1Very high5 Ų534.9 Ų34.93%0.03216%0.162CC..Hα-helixtrans-57.2-41.8174.4-26.334.3000113.8N65 V68 L325 Y326 A327N65-P323 WeakPolarHBondContact OD1-CG 3.19Å; V68-P323 HydrophobicContact CG2-CB 3.92Å; V68-P323 HydrophobicContact CG2-CG 4.01Å; P323-L325 VanDerWaalsContact C-N 3.34Å; P323-L325 PolarHBondContact O-N 2.86Å; P323-Y326 PolarHBondContact O-N 2.93Å; P323-A327 PolarHBondContact O-N 3.43Å
324I92.7Very high89.8Confident65 Ų6537.1 Ų37.133%0.33317%0.171SC..Hα-helixtrans-58.6-50.1176.3-65.9171.5000109.3F60 I320 Y321 N322 Y326 A327 F328F60-I324 HydrophobicContact CE1-CD1 4.01Å; F60-I324 HydrophobicContact CE1-CG1 4.08Å; F60-I324 HydrophobicContact CZ-CD1 4.43Å; F60-I324 HydrophobicContact CZ-CG1 4.27Å; I320-I324 HydrophobicContact CD1-CD1 4.44Å; I320-I324 WeakPolarHBondContact O-CD1 3.14Å; I320-I324 VanDerWaalsContact O-CG1 3.3Å; I320-I324 WeakPolarHBondContact O-CG1 3.27Å; Y321-I324 PolarHBondContact O-N 3.05Å; N322-I324 VanDerWaalsContact C-N 3.32Å; N322-I324 PolarHBondContact O-N 3.22Å; I324-Y326 VanDerWaalsContact C-N 3.33Å; I324-Y326 PolarHBondContact O-N 2.94Å; I324-A327 WeakPolarHBondContact O-CB 3.45Å; I324-A327 PolarHBondContact O-N 3.06Å; I324-A327 VanDerWaalsContact O-N 3.1Å; I324-F328 HydrophobicContact CG2-CD2 4.22Å; I324-F328 HydrophobicContact CG2-CE2 3.82Å; I324-F328 WeakPolarHBondContact O-CD2 2.98Å; I324-F328 PolarHBondContact O-N 2.92Å
325L92.5Very high89.4Confident12 Ų1235.7 Ų35.76%0.06317%0.168CC..Hα-helixtrans-62-40.9-179.6-174.862.5000112.2S273 L276 S277 Y321 N322 P323 A327 F328 T329S273-L325 WeakPolarHBondContact O-CD2 3.4Å; L276-L325 HydrophobicContact CB-CD1 3.94Å; L276-L325 HydrophobicContact CB-CD2 3.75Å; L276-L325 HydrophobicContact CD1-CD1 3.71Å; L276-L325 HydrophobicContact CG-CD1 4.49Å; S277-L325 WeakPolarHBondContact OG-CD2 3.47Å; Y321-L325 VanDerWaalsContact O-CB 3.3Å; Y321-L325 WeakPolarHBondContact O-CB 3.44Å; Y321-L325 PolarHBondContact O-N 2.6Å; N322-L325 PolarHBondContact O-N 3.09Å; P323-L325 VanDerWaalsContact C-N 3.34Å; P323-L325 PolarHBondContact O-N 2.86Å; L325-A327 VanDerWaalsContact C-N 3.29Å; L325-A327 PolarHBondContact O-N 2.58Å; L325-F328 PolarHBondContact O-N 3.08Å; L325-F328 VanDerWaalsContact O-N 3.14Å; L325-T329 HydrophobicContact CD1-CG2 3.69Å; L325-T329 HydrophobicContact CG-CG2 4.21Å; L325-T329 WeakPolarHBondContact O-CB 3.36Å; L325-T329 PolarHBondContact O-N 3.25Å; L325-T329 PolarHBondContact O-OG1 2.96Å
326Y89.5Confident88.9Confident9 Ų938.6 Ų38.64%0.03519%0.193CC..Hα-helixtrans-62.9-34.4175.2-62.1-31.2000112.4V68 I86 N322 P323 I324 F328 T329 N330V68-Y326 HydrophobicContact CG1-CD2 4.14Å; V68-Y326 HydrophobicContact CG1-CE2 4.14Å; V68-Y326 HydrophobicContact CG2-CD2 4Å; I86-Y326 HydrophobicContact CG2-CE2 3.96Å; N322-Y326 HydrophobicContact CB-CE2 4.12Å; N322-Y326 VanDerWaalsContact O-CD2 3.23Å; N322-Y326 WeakPolarHBondContact O-CD2 3.17Å; N322-Y326 VanDerWaalsContact O-CG 3.23Å; N322-Y326 PolarHBondContact O-N 3.25Å; P323-Y326 PolarHBondContact O-N 2.93Å; I324-Y326 VanDerWaalsContact C-N 3.33Å; I324-Y326 PolarHBondContact O-N 2.94Å; Y326-F328 PolarHBondContact O-N 2.79Å; Y326-T329 PolarHBondContact O-N 3.42Å; Y326-N330 HydrophobicContact CD1-CB 4.29Å; Y326-N330 HydrophobicContact CG-CB 4.47Å; Y326-N330 WeakPolarHBondContact O-CA 3.16Å; Y326-N330 WeakPolarHBondContact O-CB 3.45Å; Y326-N330 PolarHBondContact O-N 3.49Å
327A88.4Confident88.6Confident18 Ų1841.6 Ų41.615%0.14921%0.209CC..Hα-helixtrans-62.3-26175.500000112.7P323 I324 L325 F333 K334 L337 I339P323-A327 PolarHBondContact O-N 3.43Å; I324-A327 WeakPolarHBondContact O-CB 3.45Å; I324-A327 PolarHBondContact O-N 3.06Å; I324-A327 VanDerWaalsContact O-N 3.1Å; L325-A327 VanDerWaalsContact C-N 3.29Å; L325-A327 PolarHBondContact O-N 2.58Å; A327-F333 HydrophobicContact CB-CD1 4.27Å; A327-F333 HydrophobicContact CB-CE1 4.14Å; A327-K334 WeakPolarHBondContact O-CG 3.11Å; A327-L337 HydrophobicContact CB-CD1 3.82Å; A327-I339 HydrophobicContact CB-CD1 4.49Å
328F86.3Confident87.7Confident148 Ų14840.9 Ų40.965%0.64921%0.211SC*.Hα-helixtrans-97.5-35.8177.3-64.3-71000113.6I324 L325 Y326 K334I324-F328 HydrophobicContact CG2-CD2 4.22Å; I324-F328 HydrophobicContact CG2-CE2 3.82Å; I324-F328 WeakPolarHBondContact O-CD2 2.98Å; I324-F328 PolarHBondContact O-N 2.92Å; L325-F328 PolarHBondContact O-N 3.08Å; L325-F328 VanDerWaalsContact O-N 3.14Å; Y326-F328 PolarHBondContact O-N 2.79Å; F328-K334 WeakPolarHBondContact O-CD 3.35Å; F328-K334 PolarHBondContact O-NZ 3.42Å
329T83.9Confident86.2Confident32 Ų3243.7 Ų43.720%0.19623%0.225CC..Hα-helixtrans-104.8-33-168.360.90000113.8S273 L325 Y326 R331S273-T329 WeakPolarHBondContact CB-OG1 3.47Å; S273-T329 PolarHBondContact OG-OG1 3.4Å; L325-T329 HydrophobicContact CD1-CG2 3.69Å; L325-T329 HydrophobicContact CG-CG2 4.21Å; L325-T329 WeakPolarHBondContact O-CB 3.36Å; L325-T329 PolarHBondContact O-N 3.25Å; L325-T329 PolarHBondContact O-OG1 2.96Å; Y326-T329 PolarHBondContact O-N 3.42Å; T329-R331 PolarHBondContact O-N 2.99Å
330N83.5Confident84.4Confident34 Ų3447.1 Ų47.118%0.18224%0.237CC..  trans-91.4111.5-171.9-170-64.9000111.8Y326 K332 F333 K334Y326-N330 HydrophobicContact CD1-CB 4.29Å; Y326-N330 HydrophobicContact CG-CB 4.47Å; Y326-N330 WeakPolarHBondContact O-CA 3.16Å; Y326-N330 WeakPolarHBondContact O-CB 3.45Å; Y326-N330 PolarHBondContact O-N 3.49Å; N330-K332 VanDerWaalsContact C-N 3.3Å; N330-K332 PolarHBondContact O-N 2.02Å; N330-K332 WeakPolarHBondContact OD1-CB 3.45Å; N330-K332 PolarHBondContact OD1-N 2.83Å; N330-F333 HydrophobicContact CB-CB 3.96Å; N330-F333 PolarHBondContact O-N 3.33Å; N330-F333 PolarHBondContact OD1-N 2.97Å; N330-F333 VanDerWaalsContact OD1-N 3.08Å; N330-K334 WeakPolarHBondContact O-CB 3.26Å; N330-K334 VanDerWaalsContact O-CG 3.24Å; N330-K334 WeakPolarHBondContact O-CG 3.19Å; N330-K334 PolarHBondContact O-N 3.16Å
331R81.8Confident82.4Confident129 Ų12953.8 Ų53.849%0.48727%0.266SS..Hα-helixtrans-53.8-41.6-179.5171.4169.7-169.8172.86.4113.7T329 N335 R340T329-R331 PolarHBondContact O-N 2.99Å; R331-N335 PolarHBondContact O-N 3.34Å; R331-N335 PolarHBondContact O-ND2 3.01Å; R331-R340 VanDerWaalsContact CD-CZ 3.46Å; R331-R340 VanDerWaalsContact CZ-NH1 3.31Å
332K81.9Confident80.5Confident49 Ų4955.6 Ų55.621%0.21328%0.282CS..Hα-helixtrans-68.9-47.3-178.3178.4172.3176.5166.70110.3V71 T74 K76 S77 N330 K334 N335 A336V71-K332 HydrophobicContact CG1-CG 4.38Å; V71-K332 WeakPolarHBondContact O-CE 3.47Å; V71-K332 PolarHBondContact O-NZ 2.95Å; T74-K332 PolarHBondContact OG1-NZ 3.43Å; K76-K332 PolarHBondContact O-NZ 3.32Å; S77-K332 PolarHBondContact OG-NZ 2.98Å; N330-K332 VanDerWaalsContact C-N 3.3Å; N330-K332 PolarHBondContact O-N 2.02Å; N330-K332 WeakPolarHBondContact OD1-CB 3.45Å; N330-K332 PolarHBondContact OD1-N 2.83Å; K332-K334 PolarHBondContact O-N 2.9Å; K332-N335 WeakPolarHBondContact O-CB 3.41Å; K332-N335 PolarHBondContact O-N 2.91Å; K332-N335 VanDerWaalsContact O-N 3.15Å; K332-A336 PolarHBondContact O-N 2.83Å
333F83.7Confident78.8Confident5 Ų558 Ų582%0.02230%0.299CS..Hα-helixtrans-62.1-43.5178.1-163.8-111.1000111.5L67 V68 V71 F72 A327 N330 N335 A336 L337L67-F333 HydrophobicContact CD2-CZ 4.29Å; L67-F333 HydrophobicContact CG-CE2 4.17Å; L67-F333 HydrophobicContact CG-CZ 4.27Å; V68-F333 HydrophobicContact CB-CE2 4.27Å; V68-F333 HydrophobicContact CG2-CD2 4.33Å; V68-F333 HydrophobicContact CG2-CE1 4.48Å; V68-F333 HydrophobicContact CG2-CE2 3.6Å; V68-F333 HydrophobicContact CG2-CZ 3.68Å; V71-F333 HydrophobicContact CB-CD2 4.04Å; V71-F333 HydrophobicContact CB-CE2 4.34Å; V71-F333 HydrophobicContact CG1-CD2 3.95Å; V71-F333 HydrophobicContact CG2-CD2 4.11Å; V71-F333 HydrophobicContact CG2-CE2 4.11Å; F72-F333 HydrophobicContact CE2-CB 4.3Å; F72-F333 HydrophobicContact CE2-CD2 4.17Å; A327-F333 HydrophobicContact CB-CD1 4.27Å; A327-F333 HydrophobicContact CB-CE1 4.14Å; N330-F333 HydrophobicContact CB-CB 3.96Å; N330-F333 PolarHBondContact O-N 3.33Å; N330-F333 PolarHBondContact OD1-N 2.97Å; N330-F333 VanDerWaalsContact OD1-N 3.08Å; F333-N335 VanDerWaalsContact C-N 3.3Å; F333-N335 PolarHBondContact O-N 2.99Å; F333-A336 WeakPolarHBondContact O-CB 3.27Å; F333-A336 PolarHBondContact O-N 3.36Å; F333-A336 VanDerWaalsContact O-N 3.09Å; F333-L337 HydrophobicContact CD1-CD1 3.78Å; F333-L337 HydrophobicContact CD1-CG 4.3Å; F333-L337 HydrophobicContact CE1-CD1 3.54Å; F333-L337 HydrophobicContact CE1-CG 4.16Å; F333-L337 HydrophobicContact CZ-CD1 4.21Å; F333-L337 HydrophobicContact CZ-CD2 4.43Å; F333-L337 HydrophobicContact CZ-CG 4.45Å; F333-L337 WeakPolarHBondContact O-CG 3.06Å; F333-L337 PolarHBondContact O-N 3.33Å
334K85.4Confident77.2Confident52 Ų5260.5 Ų60.523%0.22632%0.316CS..Hα-helixtrans-56.7-38.4171.6-73.917484.7161.30114.4A327 F328 N330 K332 G338 I339 R340A327-K334 WeakPolarHBondContact O-CG 3.11Å; F328-K334 WeakPolarHBondContact O-CD 3.35Å; F328-K334 PolarHBondContact O-NZ 3.42Å; N330-K334 WeakPolarHBondContact O-CB 3.26Å; N330-K334 VanDerWaalsContact O-CG 3.24Å; N330-K334 WeakPolarHBondContact O-CG 3.19Å; N330-K334 PolarHBondContact O-N 3.16Å; K332-K334 PolarHBondContact O-N 2.9Å; K334-G338 PolarHBondContact O-N 2.86Å; K334-I339 PolarHBondContact O-N 3.47Å; K334-I339 VanDerWaalsContact O-N 3.07Å; K334-R340 HydrophobicContact CB-CG 4.34Å; K334-R340 PolarHBondContact O-N 3.44Å
335N83.7Confident75.7Confident79 Ų7960.8 Ų60.842%0.42232%0.321SS..Hα-helixtrans-68.7-42176-75.7-19.9000111.1R331 K332 F333 L337 G338 R340R331-N335 PolarHBondContact O-N 3.34Å; R331-N335 PolarHBondContact O-ND2 3.01Å; K332-N335 WeakPolarHBondContact O-CB 3.41Å; K332-N335 PolarHBondContact O-N 2.91Å; K332-N335 VanDerWaalsContact O-N 3.15Å; F333-N335 VanDerWaalsContact C-N 3.3Å; F333-N335 PolarHBondContact O-N 2.99Å; N335-L337 VanDerWaalsContact C-N 3.35Å; N335-G338 PolarHBondContact O-N 2.83Å; N335-G338 VanDerWaalsContact O-N 3.12Å; N335-R340 WeakPolarHBondContact OD1-CB 3.37Å; N335-R340 WeakPolarHBondContact OD1-CD 3.16Å
336A84.5Confident74.5Confident62 Ų6264 Ų6451%0.51234%0.337SS..Hα-helixtrans-64.9-38.8178.700000112V71 K332 F333 G338V71-A336 HydrophobicContact CB-CB 4.3Å; V71-A336 HydrophobicContact CG1-CB 3.66Å; V71-A336 HydrophobicContact CG2-CB 3.58Å; K332-A336 PolarHBondContact O-N 2.83Å; F333-A336 WeakPolarHBondContact O-CB 3.27Å; F333-A336 PolarHBondContact O-N 3.36Å; F333-A336 VanDerWaalsContact O-N 3.09Å; A336-G338 PolarHBondContact O-N 3.46Å
337L83.5Confident73.5Confident68 Ų6868.8 Ų68.836%0.35636%0.362SS..THydrogen-bonded Turntrans-73.3-0.3173.3-64.9-177.9000114.1L67 A327 F333 N335 I339L67-L337 HydrophobicContact CD2-CD2 3.63Å; A327-L337 HydrophobicContact CB-CD1 3.82Å; F333-L337 HydrophobicContact CD1-CD1 3.78Å; F333-L337 HydrophobicContact CD1-CG 4.3Å; F333-L337 HydrophobicContact CE1-CD1 3.54Å; F333-L337 HydrophobicContact CE1-CG 4.16Å; F333-L337 HydrophobicContact CZ-CD1 4.21Å; F333-L337 HydrophobicContact CZ-CD2 4.43Å; F333-L337 HydrophobicContact CZ-CG 4.45Å; F333-L337 WeakPolarHBondContact O-CG 3.06Å; F333-L337 PolarHBondContact O-N 3.33Å; N335-L337 VanDerWaalsContact C-N 3.35Å; L337-I339 HydrophobicContact CB-CD1 3.81Å; L337-I339 HydrophobicContact CB-CG1 3.83Å; L337-I339 HydrophobicContact CD1-CD1 3.72Å; L337-I339 HydrophobicContact CG-CD1 4.44Å; L337-I339 PolarHBondContact O-N 2.88Å
338G75.6Confident72.8Confident23 Ų2374 Ų7424%0.23738%0.383CS..THydrogen-bonded Turntrans72.6-7.1-176.900000115.4K334 N335 A336 R340 K341 T342K334-G338 PolarHBondContact O-N 2.86Å; N335-G338 PolarHBondContact O-N 2.83Å; N335-G338 VanDerWaalsContact O-N 3.12Å; A336-G338 PolarHBondContact O-N 3.46Å; G338-R340 PolarHBondContact O-N 2.78Å; G338-R340 VanDerWaalsContact O-N 3.11Å; G338-K341 WeakPolarHBondContact O-CB 3.26Å; G338-K341 PolarHBondContact O-N 3.2Å; G338-T342 PolarHBondContact O-N 3.22Å; G338-T342 VanDerWaalsContact O-N 3.17Å; G338-T342 PolarHBondContact O-OG1 3.37Å
339I63.2Low72.2Confident65 Ų6571.4 Ų71.433%0.33337%0.373SS..Hα-helixtrans-53.7-38.2-177.2-60.8171000112A327 K334 L337 S343A327-I339 HydrophobicContact CB-CD1 4.49Å; K334-I339 PolarHBondContact O-N 3.47Å; K334-I339 VanDerWaalsContact O-N 3.07Å; L337-I339 HydrophobicContact CB-CD1 3.81Å; L337-I339 HydrophobicContact CB-CG1 3.83Å; L337-I339 HydrophobicContact CD1-CD1 3.72Å; L337-I339 HydrophobicContact CG-CD1 4.44Å; L337-I339 PolarHBondContact O-N 2.88Å; I339-S343 PolarHBondContact O-N 2.86Å; I339-S343 VanDerWaalsContact O-N 3.13Å; I339-S343 PolarHBondContact O-OG 2.61Å; I339-S343 VanDerWaalsContact O-OG 3.05Å
340R56Low71.8Confident72 Ų7275.5 Ų75.527%0.27239%0.39SS..Hα-helixtrans-76.4-31178.2-97.9176.1176.1-122.89.6114R331 K334 N335 G338 T342 S343 S344R331-R340 VanDerWaalsContact CD-CZ 3.46Å; R331-R340 VanDerWaalsContact CZ-NH1 3.31Å; K334-R340 HydrophobicContact CB-CG 4.34Å; K334-R340 PolarHBondContact O-N 3.44Å; N335-R340 WeakPolarHBondContact OD1-CB 3.37Å; N335-R340 WeakPolarHBondContact OD1-CD 3.16Å; G338-R340 PolarHBondContact O-N 2.78Å; G338-R340 VanDerWaalsContact O-N 3.11Å; R340-T342 VanDerWaalsContact C-N 3.31Å; R340-S343 PolarHBondContact O-N 3.25Å; R340-S344 PolarHBondContact O-N 2.74Å; R340-S344 PolarHBondContact O-OG 2.81Å; R340-S344 VanDerWaalsContact O-OG 3.12Å
341K53.2Low71.4Confident154 Ų15482.7 Ų82.767%0.6741%0.414SS*.Hα-helixtrans-64.3-42173.6-76.5-174.2176.4-177.80109.7G338 S343 S344 V345G338-K341 WeakPolarHBondContact O-CB 3.26Å; G338-K341 PolarHBondContact O-N 3.2Å; K341-S343 PolarHBondContact O-N 3.16Å; K341-S344 PolarHBondContact O-N 3.14Å; K341-S344 PolarHBondContact O-OG 3.36Å; K341-V345 WeakPolarHBondContact O-CB 3.48Å; K341-V345 WeakPolarHBondContact O-CG2 3.33Å; K341-V345 PolarHBondContact O-N 3.21Å
342T55.6Low71.3Confident84 Ų8479 Ų7952%0.51540%0.404SS..Hα-helixtrans-61.8-45.5175-41.30000111.2G338 R340 S344 V345 I346G338-T342 PolarHBondContact O-N 3.22Å; G338-T342 VanDerWaalsContact O-N 3.17Å; G338-T342 PolarHBondContact O-OG1 3.37Å; R340-T342 VanDerWaalsContact C-N 3.31Å; T342-S344 PolarHBondContact O-N 2.86Å; T342-V345 PolarHBondContact O-N 3.48Å; T342-I346 HydrophobicContact CG2-CD1 3.9Å; T342-I346 WeakPolarHBondContact O-CB 3.48Å; T342-I346 WeakPolarHBondContact O-CD1 3.48Å; T342-I346 WeakPolarHBondContact O-CG1 3.1Å; T342-I346 PolarHBondContact O-N 3.32Å
343S58.1Low71.1Confident54 Ų5480.5 Ų80.538%0.37841%0.414SS..Hα-helixtrans-65.7-39.4178.1-57.90000113.4I339 R340 K341 M347I339-S343 PolarHBondContact O-N 2.86Å; I339-S343 VanDerWaalsContact O-N 3.13Å; I339-S343 PolarHBondContact O-OG 2.61Å; I339-S343 VanDerWaalsContact O-OG 3.05Å; R340-S343 PolarHBondContact O-N 3.25Å; K341-S343 PolarHBondContact O-N 3.16Å; S343-M347 WeakPolarHBondContact O-CB 3.47Å; S343-M347 WeakPolarHBondContact O-CG 3.38Å; S343-M347 PolarHBondContact O-N 3.27Å
344S59Low71Confident56 Ų5684.9 Ų84.939%0.39245%0.445SS..Hα-helixtrans-70.8-38.5177.558.20000112.2R340 K341 T342 M347 Q348R340-S344 PolarHBondContact O-N 2.74Å; R340-S344 PolarHBondContact O-OG 2.81Å; R340-S344 VanDerWaalsContact O-OG 3.12Å; K341-S344 PolarHBondContact O-N 3.14Å; K341-S344 PolarHBondContact O-OG 3.36Å; T342-S344 PolarHBondContact O-N 2.86Å; S344-M347 PolarHBondContact O-N 2.9Å; S344-Q348 WeakPolarHBondContact O-CB 3.15Å; S344-Q348 PolarHBondContact O-N 3.47Å
345V61.7Low70.9Confident72 Ų7289.9 Ų89.944%0.43647%0.467SS..Hα-helixtrans-65.3-45.1175.1170.70000110.2K341 T342 Q348 Q349K341-V345 WeakPolarHBondContact O-CB 3.48Å; K341-V345 WeakPolarHBondContact O-CG2 3.33Å; K341-V345 PolarHBondContact O-N 3.21Å; T342-V345 PolarHBondContact O-N 3.48Å; V345-Q348 PolarHBondContact O-N 2.89Å; V345-Q349 HydrophobicContact CG1-CG 4.37Å; V345-Q349 WeakPolarHBondContact O-CB 3.3Å; V345-Q349 WeakPolarHBondContact O-CG 3.49Å; V345-Q349 PolarHBondContact O-N 3.12Å
346I67.2Low70.6Confident78 Ų7889.3 Ų89.340%0.448%0.479SS..Hα-helixtrans-61.2-47175-69.2167.2000110.8T342 Q348 Q349 Q350T342-I346 HydrophobicContact CG2-CD1 3.9Å; T342-I346 WeakPolarHBondContact O-CB 3.48Å; T342-I346 WeakPolarHBondContact O-CD1 3.48Å; T342-I346 WeakPolarHBondContact O-CG1 3.1Å; T342-I346 PolarHBondContact O-N 3.32Å; I346-Q348 VanDerWaalsContact C-N 3.31Å; I346-Q348 PolarHBondContact O-N 3.33Å; I346-Q349 PolarHBondContact O-N 3.49Å; I346-Q350 HydrophobicContact CG2-CG 4.33Å; I346-Q350 WeakPolarHBondContact O-CB 3.43Å; I346-Q350 VanDerWaalsContact O-CG 3.28Å; I346-Q350 WeakPolarHBondContact O-CG 3.37Å; I346-Q350 PolarHBondContact O-N 3.44Å
347M67.7Low70.2Confident111 Ų11193.4 Ų93.455%0.54749%0.488SS..Hα-helixtrans-64.4-35.1177.5-78.2-169.4-73.500112.6S343 S344 R351S343-M347 WeakPolarHBondContact O-CB 3.47Å; S343-M347 WeakPolarHBondContact O-CG 3.38Å; S343-M347 PolarHBondContact O-N 3.27Å; S344-M347 PolarHBondContact O-N 2.9Å; M347-R351 WeakPolarHBondContact O-CB 3.48Å; M347-R351 WeakPolarHBondContact O-CG 3.33Å; M347-R351 PolarHBondContact O-N 3.17Å
348Q73.6Confident69.6Low126 Ų12693.4 Ų93.459%0.58949%0.488SS*.Hα-helixtrans-71.7-42.5176.6-171.2170.2-2.500111S344 V345 I346 R351 L352S344-Q348 WeakPolarHBondContact O-CB 3.15Å; S344-Q348 PolarHBondContact O-N 3.47Å; V345-Q348 PolarHBondContact O-N 2.89Å; I346-Q348 VanDerWaalsContact C-N 3.31Å; I346-Q348 PolarHBondContact O-N 3.33Å; Q348-R351 PolarHBondContact O-N 3.22Å; Q348-L352 HydrophobicContact CG-CD1 4.22Å; Q348-L352 WeakPolarHBondContact O-CB 3.25Å; Q348-L352 VanDerWaalsContact O-CG 3.23Å; Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.28Å
349Q72.7Confident69.4Low94 Ų94101.4 Ų101.444%0.43952%0.516SS..Hα-helixtrans-61.3-44.9172-77.3177.1-20.700111.3V345 I346 R351 L352 L353 L358V345-Q349 HydrophobicContact CG1-CG 4.37Å; V345-Q349 WeakPolarHBondContact O-CB 3.3Å; V345-Q349 WeakPolarHBondContact O-CG 3.49Å; V345-Q349 PolarHBondContact O-N 3.12Å; I346-Q349 PolarHBondContact O-N 3.49Å; Q349-R351 PolarHBondContact O-N 3.07Å; Q349-L352 PolarHBondContact O-N 2.74Å; Q349-L353 WeakPolarHBondContact O-CB 3.4Å; Q349-L353 VanDerWaalsContact O-CG 3.25Å; Q349-L353 WeakPolarHBondContact O-CG 3.46Å; Q349-L353 PolarHBondContact O-N 3.48Å; Q349-L358 HydrophobicContact CG-CD2 4.43Å
350Q75.6Confident69.5Low119 Ų119103.4 Ų103.456%0.55653%0.533SS*.Hα-helixtrans-61.9-41.3174.7-76.7176.8-18.400112.1I346 L353 S354I346-Q350 HydrophobicContact CG2-CG 4.33Å; I346-Q350 WeakPolarHBondContact O-CB 3.43Å; I346-Q350 VanDerWaalsContact O-CG 3.28Å; I346-Q350 WeakPolarHBondContact O-CG 3.37Å; I346-Q350 PolarHBondContact O-N 3.44Å; Q350-L353 PolarHBondContact O-N 3.25Å; Q350-S354 WeakPolarHBondContact O-CB 3.38Å; Q350-S354 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-OG 3.01Å
351R76.4Confident69.9Low184 Ų184108.4 Ų108.469%0.69457%0.565SS**Hα-helixtrans-63.1-42.6173.2-84.4-178.5178.9-175.4-0.2112M347 Q348 Q349 S354 K355M347-R351 WeakPolarHBondContact O-CB 3.48Å; M347-R351 WeakPolarHBondContact O-CG 3.33Å; M347-R351 PolarHBondContact O-N 3.17Å; Q348-R351 PolarHBondContact O-N 3.22Å; Q349-R351 PolarHBondContact O-N 3.07Å; R351-S354 WeakPolarHBondContact CA-OG 3.5Å; R351-S354 PolarHBondContact O-N 2.76Å; R351-S354 PolarHBondContact O-OG 3.26Å; R351-K355 WeakPolarHBondContact O-CB 3.4Å; R351-K355 WeakPolarHBondContact O-CG 3.34Å; R351-K355 PolarHBondContact O-N 3.35Å; R351-K355 VanDerWaalsContact O-N 3.08Å
352L79.4Confident70.1Confident53 Ų53106.4 Ų106.428%0.27757%0.57SS.*Hα-helixtrans-67.9-40.3178.5-69.9167.8000111.6Q348 Q349 K355 G356 Q357 L358Q348-L352 HydrophobicContact CG-CD1 4.22Å; Q348-L352 WeakPolarHBondContact O-CB 3.25Å; Q348-L352 VanDerWaalsContact O-CG 3.23Å; Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.28Å; Q349-L352 PolarHBondContact O-N 2.74Å; L352-K355 PolarHBondContact O-N 3.25Å; L352-G356 PolarHBondContact O-N 2.95Å; L352-Q357 HydrophobicContact CD2-CB 4.07Å; L352-Q357 PolarHBondContact O-N 3.15Å; L352-L358 HydrophobicContact CB-CB 4.18Å; L352-L358 HydrophobicContact CB-CD1 3.69Å; L352-L358 HydrophobicContact CB-CG 4.47Å; L352-L358 HydrophobicContact CD1-CD1 3.74Å; L352-L358 HydrophobicContact CG-CD1 4.3Å; L352-L358 PolarHBondContact O-N 3.4Å
353L78.4Confident69.5Low79 Ų79111.3 Ų111.341%0.41461%0.607SS.*Hα-helixtrans-59.9-46.4171.2-74.7163.5000110.9Q349 Q350 K355 G356 L358Q349-L353 WeakPolarHBondContact O-CB 3.4Å; Q349-L353 VanDerWaalsContact O-CG 3.25Å; Q349-L353 WeakPolarHBondContact O-CG 3.46Å; Q349-L353 PolarHBondContact O-N 3.48Å; Q350-L353 PolarHBondContact O-N 3.25Å; L353-K355 PolarHBondContact O-N 2.96Å; L353-G356 PolarHBondContact O-N 3.45Å; L353-L358 HydrophobicContact CD2-CB 3.87Å; L353-L358 WeakPolarHBondContact CD2-O 3.4Å; L353-L358 HydrophobicContact CG-CB 3.99Å; L353-L358 HydrophobicContact CG-CD2 4.46Å
354S80Confident70.1Confident97 Ų97114.2 Ų114.268%0.67862%0.619SS**Hα-helixtrans-65.1-24178.473.20000114Q350 R351Q350-S354 WeakPolarHBondContact O-CB 3.38Å; Q350-S354 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-OG 3.01Å; R351-S354 WeakPolarHBondContact CA-OG 3.5Å; R351-S354 PolarHBondContact O-N 2.76Å; R351-S354 PolarHBondContact O-OG 3.26Å
355K84.4Confident70.7Confident158 Ų158117.2 Ų117.269%0.68763%0.631SS**THydrogen-bonded Turntrans-93.35.6176.5-72-176.1173.6-167.20113.1R351 L352 L353 Q357R351-K355 WeakPolarHBondContact O-CB 3.4Å; R351-K355 WeakPolarHBondContact O-CG 3.34Å; R351-K355 PolarHBondContact O-N 3.35Å; R351-K355 VanDerWaalsContact O-N 3.08Å; L352-K355 PolarHBondContact O-N 3.25Å; L353-K355 PolarHBondContact O-N 2.96Å; K355-Q357 HydrophobicContact CB-CG 4.12Å; K355-Q357 PolarHBondContact O-N 2.94Å
356G76.5Confident71.2Confident66 Ų66119.7 Ų119.768%0.6864%0.642SS**THydrogen-bonded Turntrans65.214.3-175.800000114.4L352 L353L352-G356 PolarHBondContact O-N 2.95Å; L353-G356 PolarHBondContact O-N 3.45Å
357Q77.6Confident71.4Confident149 Ų149122.2 Ų122.270%0.69666%0.656SS**  trans-92.6-6-177.8-63-138.2-39.500113.4L352 K355L352-Q357 HydrophobicContact CD2-CB 4.07Å; L352-Q357 PolarHBondContact O-N 3.15Å; K355-Q357 HydrophobicContact CB-CG 4.12Å; K355-Q357 PolarHBondContact O-N 2.94Å
358L70Confident71.6Confident67 Ų67122.9 Ų122.935%0.35166%0.663SS.*SBendtrans-123.2130166.9-120.286.9000108.1Q349 L352 L353Q349-L358 HydrophobicContact CG-CD2 4.43Å; L352-L358 HydrophobicContact CB-CB 4.18Å; L352-L358 HydrophobicContact CB-CD1 3.69Å; L352-L358 HydrophobicContact CB-CG 4.47Å; L352-L358 HydrophobicContact CD1-CD1 3.74Å; L352-L358 HydrophobicContact CG-CD1 4.3Å; L352-L358 PolarHBondContact O-N 3.4Å; L353-L358 HydrophobicContact CD2-CB 3.87Å; L353-L358 WeakPolarHBondContact CD2-O 3.4Å; L353-L358 HydrophobicContact CG-CB 3.99Å; L353-L358 HydrophobicContact CG-CD2 4.46Å
359K72.2Confident71.5Confident192 Ų192122.7 Ų122.784%0.83567%0.668SS**  trans-81.5138.4165.2-74.1-176.4176.9-178.20108.6L361K359-L361 PolarHBondContact O-N 3.27Å
360P65Low71.4Confident107 Ų107124.7 Ų124.770%0.69568%0.684SS**  trans-58.5135.7169.524.5-31000108.7S362P360-S362 PolarHBondContact O-N 3.12Å
361L62.8Low71.1Confident177 Ų177125.2 Ų125.293%0.92769%0.694SS**  trans-60.6108.7171.5-78.3151.9000107.2K359 S363K359-L361 PolarHBondContact O-N 3.27Å; L361-S363 PolarHBondContact O-N 3.39Å
362S58.8Low70.7Confident112 Ų112120.3 Ų120.378%0.78369%0.694SS**  trans-63.4124.5163.451.50000107.3P360P360-S362 PolarHBondContact O-N 3.12Å
363S43Very low69.9Low186 Ų186126.4 Ų126.4100%1.30173%0.732SS**  trans-49.80170.252.60000112.8L361L361-S363 PolarHBondContact O-N 3.39Å

Retrieved 363 of 363 residues in 283.6 ms (Link to these results)

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