A0A087YFA9_POEFO Loading...

Guanine nucleotide-binding protein G(i) subunit alpha-2

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems. The G(i) proteins are involved in hormonal regulation of adenylate cyclase: they inhibit the cyclase in response to beta-adrenergic stimuli. May play a role in cell division.

AlphaFold DB , UniProt , Accession A0A087YFA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 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
1M43.3Very low70.4Confident247 Ų247113.1 Ų113.1100%1.21768%0.679SS**  0117.90-83.8-174.6-85.200107.4
2G50.8Low72Confident73 Ų73107.2 Ų107.275%0.75365%0.651SS**  trans-75.1123.5-165.500000112.5T4G2-T4 PolarHBondContact O-N 3.26Å
3C57.6Low73.4Confident133 Ų133103.7 Ų103.790%0.89964%0.64SS**  trans-84.384.6168.5-136.30000107.2V5C3-V5 PolarHBondContact O-N 3.25Å
4T60.2Low74.8Confident134 Ų134104.1 Ų104.182%0.82263%0.631SS**  trans-77.9103.4172.644.30000108.2G2 S6G2-T4 PolarHBondContact O-N 3.26Å; T4-S6 PolarHBondContact O-N 3.47Å
5V66.1Low76Confident107 Ų107106.9 Ų106.965%0.64863%0.626SS**  trans-49.6126.6167.2-178.90000107.8C3 D9C3-V5 PolarHBondContact O-N 3.25Å; V5-D9 HydrophobicContact CG1-CB 3.61Å
6S78.4Confident77.2Confident47 Ų47103.9 Ų103.933%0.32961%0.613SS.*  trans-62.6151-177780000109.9T4 E8 D9 K10T4-S6 PolarHBondContact O-N 3.47Å; S6-E8 PolarHBondContact O-N 3.49Å; S6-E8 VanDerWaalsContact O-N 3.17Å; S6-D9 WeakPolarHBondContact CB-OD2 3.46Å; S6-D9 PolarHBondContact N-OD2 3.31Å; S6-D9 PolarHBondContact O-N 3.01Å; S6-D9 VanDerWaalsContact O-N 3.11Å; S6-D9 PolarHBondContact OG-N 3.43Å; S6-D9 VanDerWaalsContact OG-N 3.08Å; S6-D9 PolarHBondContact OG-OD2 3.35Å; S6-K10 PolarHBondContact O-N 2.91Å
7A78.6Confident78.2Confident87 Ų87107.4 Ų107.472%0.71962%0.618SS**Hα-helixtrans-57.9-30177.100000111.6A11A7-A11 WeakPolarHBondContact O-CB 3.42Å; A7-A11 PolarHBondContact O-N 2.82Å
8E81.4Confident79.1Confident159 Ų159108.3 Ų108.374%0.74362%0.618SS**Hα-helixtrans-69.1-43.4175.6-66.5-176161.200112.3S6 K10 A11 A12S6-E8 PolarHBondContact O-N 3.49Å; S6-E8 VanDerWaalsContact O-N 3.17Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.5Å; E8-A11 PolarHBondContact O-N 3.4Å; E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 2.89Å; E8-A12 PolarHBondContact O-N 3.33Å
9D84.6Confident79.9Confident94 Ų94107.8 Ų107.850%0.50361%0.612SS.*Hα-helixtrans-64.7-39.4176.6-64.8-42.7000111.5V5 S6 A12 A13V5-D9 HydrophobicContact CG1-CB 3.61Å; S6-D9 WeakPolarHBondContact CB-OD2 3.46Å; S6-D9 PolarHBondContact N-OD2 3.31Å; S6-D9 PolarHBondContact O-N 3.01Å; S6-D9 VanDerWaalsContact O-N 3.11Å; S6-D9 PolarHBondContact OG-N 3.43Å; S6-D9 VanDerWaalsContact OG-N 3.08Å; S6-D9 PolarHBondContact OG-OD2 3.35Å; D9-A12 PolarHBondContact O-N 3.01Å; D9-A13 WeakPolarHBondContact O-CB 3.4Å; D9-A13 PolarHBondContact O-N 3.06Å
10K85.5Confident80.6Confident131 Ų131107.1 Ų107.157%0.5761%0.607SS**Hα-helixtrans-65.9-44.2176-167.8179.8177.4-1740111.4S6 E8 A12 A13 E14S6-K10 PolarHBondContact O-N 2.91Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.5Å; K10-A12 VanDerWaalsContact C-N 3.33Å; K10-A12 PolarHBondContact O-N 3.48Å; K10-A13 PolarHBondContact O-N 3.17Å; K10-E14 PolarHBondContact O-N 3.08Å
11A88.4Confident81.2Confident32 Ų32108 Ų10826%0.26460%0.604SS.*Hα-helixtrans-66.1-35.1176.100000112.3A7 E8 R15A7-A11 WeakPolarHBondContact O-CB 3.42Å; A7-A11 PolarHBondContact O-N 2.82Å; E8-A11 PolarHBondContact O-N 3.4Å; A11-R15 WeakPolarHBondContact O-CG 3.41Å; A11-R15 PolarHBondContact O-N 3.07Å
12A89.5Confident83.6Confident42 Ų42100.4 Ų100.435%0.34757%0.568SS.*Hα-helixtrans-67-42.5174.100000111.8E8 D9 K10 E14 R15 S16E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 2.89Å; E8-A12 PolarHBondContact O-N 3.33Å; D9-A12 PolarHBondContact O-N 3.01Å; K10-A12 VanDerWaalsContact C-N 3.33Å; K10-A12 PolarHBondContact O-N 3.48Å; A12-E14 PolarHBondContact O-N 3.11Å; A12-R15 PolarHBondContact O-N 3.16Å; A12-S16 WeakPolarHBondContact O-CB 3.32Å; A12-S16 PolarHBondContact O-N 2.94Å
13A90.5Very high85.6Confident62 Ų62102.1 Ų102.151%0.51256%0.56SS.*Hα-helixtrans-63.2-39.6175.300000112.3D9 K10 S16 K17D9-A13 WeakPolarHBondContact O-CB 3.4Å; D9-A13 PolarHBondContact O-N 3.06Å; K10-A13 PolarHBondContact O-N 3.17Å; A13-S16 PolarHBondContact O-N 2.64Å; A13-K17 WeakPolarHBondContact O-CB 3.42Å; A13-K17 PolarHBondContact O-N 3.27Å
14E92.4Very high87.1Confident110 Ų110104.1 Ų104.151%0.51455%0.548SS..Hα-helixtrans-64.7-43.4174.1-75.8176.917800112K10 A12 K17 M18K10-E14 PolarHBondContact O-N 3.08Å; A12-E14 PolarHBondContact O-N 3.11Å; E14-K17 PolarHBondContact O-N 3.36Å; E14-M18 WeakPolarHBondContact O-CG 3.45Å; E14-M18 PolarHBondContact O-N 3.04Å
15R93.6Very high88.3Confident145 Ų145101.6 Ų101.655%0.54753%0.527SS..Hα-helixtrans-61.5-44.4173.3-74.8-172-61.9-90.62.1112.2A11 A12 K17 M18 I19A11-R15 WeakPolarHBondContact O-CG 3.41Å; A11-R15 PolarHBondContact O-N 3.07Å; A12-R15 PolarHBondContact O-N 3.16Å; R15-K17 VanDerWaalsContact C-N 3.32Å; R15-K17 PolarHBondContact O-N 3.35Å; R15-M18 PolarHBondContact O-N 2.99Å; R15-I19 WeakPolarHBondContact O-CG1 3.33Å; R15-I19 PolarHBondContact O-N 2.86Å
16S94.8Very high89.2Confident60 Ų60100.9 Ų100.942%0.4252%0.519SS..Hα-helixtrans-59.3-45.3176.7-164.10000110.9A12 A13 M18 I19 D20A12-S16 WeakPolarHBondContact O-CB 3.32Å; A12-S16 PolarHBondContact O-N 2.94Å; A13-S16 PolarHBondContact O-N 2.64Å; S16-M18 VanDerWaalsContact C-N 3.31Å; S16-M18 PolarHBondContact O-N 3.38Å; S16-I19 PolarHBondContact O-N 2.91Å; S16-I19 VanDerWaalsContact O-N 3.13Å; S16-D20 VanDerWaalsContact O-CG 3.27Å; S16-D20 PolarHBondContact O-N 3.13Å
17K94.3Very high89.4Confident162 Ų162100.5 Ų100.570%0.70452%0.523SS*.Hα-helixtrans-62.9-35.8177.3-168.6179.3-178.5-178.80112.6A13 E14 R15 K21A13-K17 WeakPolarHBondContact O-CB 3.42Å; A13-K17 PolarHBondContact O-N 3.27Å; E14-K17 PolarHBondContact O-N 3.36Å; R15-K17 VanDerWaalsContact C-N 3.32Å; R15-K17 PolarHBondContact O-N 3.35Å; K17-K21 WeakPolarHBondContact O-CB 3.4Å; K17-K21 PolarHBondContact O-N 2.99Å
18M93.6Very high89.5Confident125 Ų125101 Ų10162%0.61651%0.511SS*.Hα-helixtrans-67.5-41.6172.9-73-176.5-174.100111.9E14 R15 S16 K21 N22E14-M18 WeakPolarHBondContact O-CG 3.45Å; E14-M18 PolarHBondContact O-N 3.04Å; R15-M18 PolarHBondContact O-N 2.99Å; S16-M18 VanDerWaalsContact C-N 3.31Å; S16-M18 PolarHBondContact O-N 3.38Å; M18-K21 PolarHBondContact O-N 3.37Å; M18-N22 VanDerWaalsContact O-CG 3.26Å; M18-N22 PolarHBondContact O-N 3.35Å; M18-N22 PolarHBondContact O-OD1 2.86Å
19I94.8Very high89.3Confident98 Ų9899.1 Ų99.150%0.50350%0.5SS..Hα-helixtrans-61.7-48175.7-68.2163.9000110.3R15 S16 K21 N22 L23R15-I19 WeakPolarHBondContact O-CG1 3.33Å; R15-I19 PolarHBondContact O-N 2.86Å; S16-I19 PolarHBondContact O-N 2.91Å; S16-I19 VanDerWaalsContact O-N 3.13Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.95Å; I19-N22 PolarHBondContact O-N 3.02Å; I19-N22 VanDerWaalsContact O-N 3.16Å; I19-L23 HydrophobicContact CG2-CD1 3.87Å; I19-L23 HydrophobicContact CG2-CG 4.25Å; I19-L23 WeakPolarHBondContact O-CB 3.34Å; I19-L23 WeakPolarHBondContact O-CG 3.5Å; I19-L23 PolarHBondContact O-N 3.13Å
20D94.1Very high88.9Confident94 Ų9497.5 Ų97.550%0.50350%0.5SS..Hα-helixtrans-61.4-38.2178.6-65.9-27.6000111.9S16 R24S16-D20 VanDerWaalsContact O-CG 3.27Å; S16-D20 PolarHBondContact O-N 3.13Å; D20-R24 WeakPolarHBondContact O-CB 3.41Å; D20-R24 PolarHBondContact O-N 3.19Å
21K93.5Very high88.4Confident126 Ų12694.4 Ų94.455%0.54850%0.499SS..Hα-helixtrans-63.3-47.8174.1-177.1-178.7168.6-173.50111.2K17 M18 I19 R24 E25K17-K21 WeakPolarHBondContact O-CB 3.4Å; K17-K21 PolarHBondContact O-N 2.99Å; M18-K21 PolarHBondContact O-N 3.37Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.95Å; K21-R24 PolarHBondContact O-N 3.45Å; K21-E25 WeakPolarHBondContact CE-OE1 3.35Å; K21-E25 IonicContact NZ-OE1 3.75Å; K21-E25 WeakPolarHBondContact O-CG 3.4Å; K21-E25 PolarHBondContact O-N 3.01Å
22N92.5Very high87.9Confident88 Ų8899.5 Ų99.547%0.47151%0.511SS..Hα-helixtrans-63.4-42.9178.4-68.1-5.4000111.4M18 I19 R24 E25 D26M18-N22 VanDerWaalsContact O-CG 3.26Å; M18-N22 PolarHBondContact O-N 3.35Å; M18-N22 PolarHBondContact O-OD1 2.86Å; I19-N22 PolarHBondContact O-N 3.02Å; I19-N22 VanDerWaalsContact O-N 3.16Å; N22-R24 VanDerWaalsContact C-N 3.29Å; N22-R24 PolarHBondContact O-N 3.31Å; N22-E25 PolarHBondContact O-N 3.35Å; N22-D26 WeakPolarHBondContact O-CB 3.37Å; N22-D26 VanDerWaalsContact O-CG 3.31Å; N22-D26 PolarHBondContact O-N 2.95Å
23L92.4Very high87.7Confident109 Ų10999.9 Ų99.957%0.57151%0.506SS*.Hα-helixtrans-61.1-38176.3-74.1173.6000112.2I19 G27I19-L23 HydrophobicContact CG2-CD1 3.87Å; I19-L23 HydrophobicContact CG2-CG 4.25Å; I19-L23 WeakPolarHBondContact O-CB 3.34Å; I19-L23 WeakPolarHBondContact O-CG 3.5Å; I19-L23 PolarHBondContact O-N 3.13Å; L23-G27 PolarHBondContact O-N 3.48Å
24R89.3Confident87.6Confident175 Ų17597.5 Ų97.566%0.6649%0.485SS*.Hα-helixtrans-67.2-46.4175-176.7179.2173.6161.73111.6D20 K21 N22 D26 G27 E28D20-R24 WeakPolarHBondContact O-CB 3.41Å; D20-R24 PolarHBondContact O-N 3.19Å; K21-R24 PolarHBondContact O-N 3.45Å; N22-R24 VanDerWaalsContact C-N 3.29Å; N22-R24 PolarHBondContact O-N 3.31Å; R24-D26 VanDerWaalsContact C-N 3.34Å; R24-G27 PolarHBondContact O-N 2.98Å; R24-E28 IonicContact CZ-OE1 3.13Å; R24-E28 IonicContact NE-OE1 3.9Å; R24-E28 PolarHBondContact NE-OE1 3.41Å; R24-E28 VanDerWaalsContact NE-OE1 3.07Å; R24-E28 IonicContact NH2-OE1 2.77Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 3.41Å
25E87.1Confident87.5Confident80 Ų8095.3 Ų95.337%0.37447%0.474SS..Hα-helixtrans-62.6-41.4177.6-72.1177.7-175.100111.6K21 N22 E28 K29K21-E25 WeakPolarHBondContact CE-OE1 3.35Å; K21-E25 IonicContact NZ-OE1 3.75Å; K21-E25 WeakPolarHBondContact O-CG 3.4Å; K21-E25 PolarHBondContact O-N 3.01Å; N22-E25 PolarHBondContact O-N 3.35Å; E25-E28 PolarHBondContact O-N 3.25Å; E25-K29 WeakPolarHBondContact O-CG 3.47Å; E25-K29 PolarHBondContact O-N 2.89Å
26D84.4Confident87.5Confident92 Ų9288.6 Ų88.649%0.49245%0.449SS..Hα-helixtrans-67.2-37.7175.2-72.1-17.9000111.6N22 R24 K29 A30N22-D26 WeakPolarHBondContact O-CB 3.37Å; N22-D26 VanDerWaalsContact O-CG 3.31Å; N22-D26 PolarHBondContact O-N 2.95Å; R24-D26 VanDerWaalsContact C-N 3.34Å; D26-K29 PolarHBondContact O-N 3.26Å; D26-A30 VanDerWaalsContact O-CB 3.23Å; D26-A30 WeakPolarHBondContact O-CB 3.22Å; D26-A30 PolarHBondContact O-N 2.87Å
27G83.1Confident87.5Confident40 Ų4085.8 Ų85.841%0.41243%0.429SS..Hα-helixtrans-63.5-42.7173.500000112.7L23 R24 A30 A31L23-G27 PolarHBondContact O-N 3.48Å; R24-G27 PolarHBondContact O-N 2.98Å; G27-A30 PolarHBondContact O-N 2.98Å; G27-A31 WeakPolarHBondContact O-CB 3.08Å; G27-A31 PolarHBondContact O-N 3.23Å
28E79.5Confident87.6Confident98 Ų9878 Ų7846%0.45840%0.395SS..Hα-helixtrans-66-38.7175.9-73.3174.8-167.100111.7R24 E25 R32R24-E28 IonicContact CZ-OE1 3.13Å; R24-E28 IonicContact NE-OE1 3.9Å; R24-E28 PolarHBondContact NE-OE1 3.41Å; R24-E28 VanDerWaalsContact NE-OE1 3.07Å; R24-E28 IonicContact NH2-OE1 2.77Å; R24-E28 WeakPolarHBondContact O-CG 3.34Å; R24-E28 PolarHBondContact O-N 3.41Å; E25-E28 PolarHBondContact O-N 3.25Å; E28-R32 PolarHBondContact O-N 2.83Å
29K76.9Confident87.8Confident118 Ų11872.1 Ų72.151%0.51337%0.366SS..Hα-helixtrans-66-46172.7-74.8175.8-175.5170.60112E25 D26 A31 R32 E33E25-K29 WeakPolarHBondContact O-CG 3.47Å; E25-K29 PolarHBondContact O-N 2.89Å; D26-K29 PolarHBondContact O-N 3.26Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.37Å; K29-R32 CarbonylContact O-C 3.51Å; K29-R32 PolarHBondContact O-N 2.83Å; K29-E33 PolarHBondContact O-N 3.47Å
30A76.5Confident87.9Confident60 Ų6067.4 Ų67.450%0.49634%0.342SS..Hα-helixtrans-62.5-34.7178.500000111.9D26 G27 R32 E33D26-A30 VanDerWaalsContact O-CB 3.23Å; D26-A30 WeakPolarHBondContact O-CB 3.22Å; D26-A30 PolarHBondContact O-N 2.87Å; G27-A30 PolarHBondContact O-N 2.98Å; A30-R32 PolarHBondContact O-N 2.62Å; A30-E33 WeakPolarHBondContact O-CB 3.5Å; A30-E33 PolarHBondContact O-N 3.48Å
31A74.8Confident87.9Confident67 Ų6763.4 Ų63.455%0.55432%0.322SS*.Hα-helixtrans-66.6-20.7174.900000113.5G27 K29G27-A31 WeakPolarHBondContact O-CB 3.08Å; G27-A31 PolarHBondContact O-N 3.23Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.37Å
32R78.4Confident87.8Confident139 Ų13958.5 Ų58.553%0.52531%0.307SS..THydrogen-bonded Turntrans-104.99.4177-62.4-179.4-175.6-169.41.1112.9E28 K29 A30 L195 H196E28-R32 PolarHBondContact O-N 2.83Å; K29-R32 CarbonylContact O-C 3.51Å; K29-R32 PolarHBondContact O-N 2.83Å; A30-R32 PolarHBondContact O-N 2.62Å; R32-L195 HydrophobicContact CB-CD2 4.44Å; R32-H196 PolarHBondContact O-N 2.96Å
33E85.9Confident87.8Confident49 Ų4956.6 Ų56.623%0.22930%0.296CS..EExtended strand (participates in β ladder)trans-88.5124.2-179.7-175.3170.2-86.800110.5K29 A30 K35 H196 K198K29-E33 PolarHBondContact O-N 3.47Å; A30-E33 WeakPolarHBondContact O-CB 3.5Å; A30-E33 PolarHBondContact O-N 3.48Å; E33-K35 HydrophobicContact CG-CG 4.38Å; E33-K35 WeakPolarHBondContact OE2-CE 3.23Å; E33-K35 IonicContact OE2-NZ 3.95Å; E33-H196 CarbonylContact C-O 3.53Å; E33-H196 WeakPolarHBondContact CA-O 3.38Å; E33-K198 VanDerWaalsContact CD-CE 3.42Å; E33-K198 HydrophobicContact CG-CD 4.06Å; E33-K198 HydrophobicContact CG-CG 4.27Å; E33-K198 WeakPolarHBondContact OE1-CD 3.27Å; E33-K198 WeakPolarHBondContact OE1-CE 3.47Å; E33-K198 IonicContact OE1-NZ 3.87Å; E33-K198 PolarHBondContact OE1-NZ 3.08Å; E33-K198 WeakPolarHBondContact OE2-CD 3.48Å; E33-K198 IonicContact OE2-NZ 3.6Å; E33-K198 PolarHBondContact OE2-NZ 3.43Å
34V88.1Confident88Confident12 Ų1251.5 Ų51.57%0.07327%0.269CS..EExtended strand (participates in β ladder)trans-104.6115.4176.3-179.70000108.7L36 L195 H196 F197 K198 T220 I345V34-L36 HydrophobicContact CG1-CD2 3.98Å; V34-L36 HydrophobicContact CG1-CG 4.19Å; V34-L195 HydrophobicContact CG2-CB 4.38Å; V34-L195 HydrophobicContact CG2-CD1 4.42Å; V34-H196 PolarHBondContact N-O 3.32Å; V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.87Å; V34-F197 HydrophobicContact CB-CG 4.34Å; V34-F197 HydrophobicContact CB-CZ 4.44Å; V34-F197 HydrophobicContact CG1-CD1 3.75Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG1-CZ 4.44Å; V34-F197 HydrophobicContact CG2-CE1 4.39Å; V34-F197 WeakPolarHBondContact O-CA 3.38Å; V34-K198 PolarHBondContact O-N 3.49Å; V34-T220 HydrophobicContact CG1-CG2 4.05Å; V34-I345 HydrophobicContact CG2-CG1 4.49Å
35K90.8Very high88.3Confident65 Ų6543.6 Ų43.628%0.28324%0.242SC..EExtended strand (participates in β ladder)trans-96.3114.2178.6-65.2-174.1-173.9173.60110.3E33 K198 F200 G218 T220 A221E33-K35 HydrophobicContact CG-CG 4.38Å; E33-K35 WeakPolarHBondContact OE2-CE 3.23Å; E33-K35 IonicContact OE2-NZ 3.95Å; K35-K198 CarbonylContact C-O 3.51Å; K35-K198 WeakPolarHBondContact CA-O 3.33Å; K35-K198 HydrophobicContact CG-CB 4.37Å; K35-F200 HydrophobicContact CB-CE2 4.27Å; K35-F200 HydrophobicContact CD-CE2 4.44Å; K35-F200 HydrophobicContact CG-CE2 4.34Å; K35-G218 WeakPolarHBondContact CD-O 3.39Å; K35-T220 PolarHBondContact N-OG1 3.13Å; K35-T220 WeakPolarHBondContact O-CB 3.27Å; K35-T220 PolarHBondContact O-N 2.87Å; K35-A221 PolarHBondContact O-N 3.38Å
36L92.9Very high88.7Confident4 Ų440.2 Ų40.22%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-107.6125.1178.2-61.9-178.5000110.5V34 F197 K198 M199 F200 A221 I223 F337V34-L36 HydrophobicContact CG1-CD2 3.98Å; V34-L36 HydrophobicContact CG1-CG 4.19Å; L36-F197 HydrophobicContact CD1-CD1 3.53Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 4Å; L36-F197 HydrophobicContact CG-CE1 4.4Å; L36-K198 PolarHBondContact N-O 3.2Å; L36-M199 HydrophobicContact CB-CE 4.31Å; L36-M199 HydrophobicContact CB-CG 4.47Å; L36-M199 HydrophobicContact CD1-CE 3.68Å; L36-M199 CarbonylContact O-C 3.59Å; L36-M199 WeakPolarHBondContact O-CA 3.45Å; L36-F200 PolarHBondContact O-N 3.43Å; L36-A221 WeakPolarHBondContact CA-O 3.18Å; L36-A221 HydrophobicContact CD2-CB 3.91Å; L36-I223 HydrophobicContact CD1-CD1 4.24Å; L36-F337 HydrophobicContact CD1-CE2 3.76Å; L36-F337 HydrophobicContact CD1-CZ 3.79Å
37L95.1Very high89.3Confident0 Ų037.5 Ų37.50%021%0.214CC..EExtended strand (participates in β ladder)trans-106119.2177.1-178.261.2000110.5L39 F200 V202 C215 F216 V219 A221 I222 I223 F260L37-L39 HydrophobicContact CD1-CD2 4.23Å; L37-L39 HydrophobicContact CD2-CD1 4.02Å; L37-L39 HydrophobicContact CD2-CD2 4.04Å; L37-L39 HydrophobicContact CD2-CG 4.1Å; L37-L39 HydrophobicContact CG-CD1 4.36Å; L37-L39 HydrophobicContact CG-CD2 3.9Å; L37-L39 HydrophobicContact CG-CG 3.92Å; L37-F200 HydrophobicContact CD1-CB 3.8Å; L37-V202 HydrophobicContact CD1-CG1 4.3Å; L37-C215 HydrophobicContact CD1-CB 3.68Å; L37-F216 HydrophobicContact CD2-CD1 3.64Å; L37-F216 HydrophobicContact CD2-CE1 3.75Å; L37-V219 HydrophobicContact CB-CG1 3.77Å; L37-V219 HydrophobicContact CB-CG2 4.02Å; L37-V219 HydrophobicContact CD2-CG2 4.18Å; L37-A221 PolarHBondContact N-O 2.85Å; L37-A221 VanDerWaalsContact N-O 3.08Å; L37-I222 HydrophobicContact CB-CG1 4.47Å; L37-I222 WeakPolarHBondContact O-CA 3.01Å; L37-I223 PolarHBondContact O-N 2.77Å; L37-F260 HydrophobicContact CD2-CZ 4.12Å
38L96Very high89.9Confident0 Ų036.9 Ų36.90%020%0.202CC..EExtended strand (participates in β ladder)trans-88.3114.5175.8-76.5159.7000110.6K46 I49 V50 M199 F200 D201 V202 I223L38-K46 HydrophobicContact CB-CB 4.28Å; L38-K46 HydrophobicContact CB-CD 4.26Å; L38-K46 HydrophobicContact CB-CG 4.3Å; L38-I49 HydrophobicContact CD2-CB 4.38Å; L38-I49 HydrophobicContact CD2-CG2 4.12Å; L38-V50 HydrophobicContact CD1-CG2 3.25Å; L38-M199 HydrophobicContact CD1-CG 3.61Å; L38-M199 HydrophobicContact CD1-SD 3.56Å; L38-M199 VanDerWaalsContact CD1-SD 3.56Å; L38-M199 HydrophobicContact CG-CG 4.17Å; L38-M199 HydrophobicContact CG-SD 4.29Å; L38-F200 WeakPolarHBondContact CB-O 3.02Å; L38-F200 PolarHBondContact N-O 3.05Å; L38-D201 HydrophobicContact CD1-CB 4.32Å; L38-V202 WeakPolarHBondContact O-CG2 3.21Å; L38-I223 CarbonylContact C-O 3.58Å; L38-I223 WeakPolarHBondContact CA-O 3.29Å; L38-I223 HydrophobicContact CD2-CB 3.73Å; L38-I223 HydrophobicContact CD2-CD1 4.26Å; L38-I223 HydrophobicContact CD2-CG2 3.65Å
39L96.9Very high90.7Very high0 Ų032.2 Ų32.20%018%0.181CC..EExtended strand (participates in β ladder)trans-119.4164.2177.4-61.3-177.8000111.4L37 V202 W212 I222 I223 F224 C225 I254 F260L37-L39 HydrophobicContact CD1-CD2 4.23Å; L37-L39 HydrophobicContact CD2-CD1 4.02Å; L37-L39 HydrophobicContact CD2-CD2 4.04Å; L37-L39 HydrophobicContact CD2-CG 4.1Å; L37-L39 HydrophobicContact CG-CD1 4.36Å; L37-L39 HydrophobicContact CG-CD2 3.9Å; L37-L39 HydrophobicContact CG-CG 3.92Å; L39-V202 HydrophobicContact CD2-CG2 3.65Å; L39-W212 HydrophobicContact CB-CZ3 4.47Å; L39-W212 HydrophobicContact CD2-CD2 3.83Å; L39-W212 HydrophobicContact CD2-CE3 3.66Å; L39-W212 HydrophobicContact CD2-CG 4.37Å; L39-W212 HydrophobicContact CD2-CH2 4.3Å; L39-W212 HydrophobicContact CD2-CZ2 4.46Å; L39-W212 HydrophobicContact CD2-CZ3 3.89Å; L39-I222 HydrophobicContact CB-CG2 4.29Å; L39-I222 HydrophobicContact CD1-CD1 4.39Å; L39-I222 HydrophobicContact CD1-CG2 3.92Å; L39-I222 HydrophobicContact CG-CG2 4.15Å; L39-I223 PolarHBondContact N-O 3.34Å; L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.28Å; L39-F224 CarbonylContact O-C 3.41Å; L39-F224 WeakPolarHBondContact O-CA 3.4Å; L39-C225 PolarHBondContact O-N 2.6Å; L39-I254 HydrophobicContact CD1-CD1 3.85Å; L39-I254 HydrophobicContact CD1-CG1 4.08Å; L39-I254 HydrophobicContact CD1-CG2 3.79Å; L39-F260 HydrophobicContact CD1-CE2 4.47Å
40G96.9Very high91.5Very high0 Ų027.3 Ų27.30%016%0.161CC..  trans137.9165.9178.800000112.6K46 G204G40-K46 PolarHBondContact O-NZ 3.1Å; G40-G204 WeakPolarHBondContact O-CA 3.33Å
41A95.1Very high92.4Very high9 Ų925.6 Ų25.67%0.07414%0.142CC..SBendtrans-60.3167.1-177.800000112.9S44 K46A41-S44 WeakPolarHBondContact O-CB 3.32Å; A41-S44 PolarHBondContact O-N 3.31Å; A41-S44 PolarHBondContact O-OG 2.83Å; A41-S44 VanDerWaalsContact O-OG 3.07Å; A41-K46 PolarHBondContact O-NZ 3.48Å
42G91.4Very high93.4Very high24 Ų2422.4 Ų22.425%0.24712%0.115CC..THydrogen-bonded Turntrans-52.7142.6171.100000111.2S44 G204G42-S44 PolarHBondContact O-N 3.25Å; G42-G204 PolarHBondContact N-O 3.25Å
43E91.9Very high94.1Very high48 Ų4815.8 Ų15.822%0.2249%0.091CC..THydrogen-bonded Turntrans61.213.1177.8-57.1163.7-150.300115.4G45 R179 R243 K271E43-G45 PolarHBondContact O-N 3.15Å; E43-R179 VanDerWaalsContact CD-NH2 3.34Å; E43-R179 IonicContact OE1-CZ 3.28Å; E43-R179 IonicContact OE1-NH1 2.94Å; E43-R179 PolarHBondContact OE1-NH1 2.94Å; E43-R179 IonicContact OE1-NH2 2.67Å; E43-R179 PolarHBondContact OE1-NH2 3.41Å; E43-R179 IonicContact OE2-CZ 2.71Å; E43-R179 IonicContact OE2-NH1 3.18Å; E43-R179 PolarHBondContact OE2-NH1 2.9Å; E43-R179 VanDerWaalsContact OE2-NH1 3.13Å; E43-R243 IonicContact OE1-NH2 2.87Å; E43-R243 IonicContact OE2-CZ 3.08Å; E43-R243 IonicContact OE2-NH1 2.93Å; E43-R243 PolarHBondContact OE2-NH1 2.96Å; E43-R243 IonicContact OE2-NH2 3.29Å; E43-R243 PolarHBondContact OE2-NH2 3.15Å; E43-K271 WeakPolarHBondContact O-CE 3.17Å; E43-K271 PolarHBondContact O-NZ 2.55Å
44S96.4Very high94.5Very high1 Ų115.6 Ų15.61%0.0079%0.089CC..SBendtrans-72.5-7.1178.667.70000115.2A41 G42 C225 N270A41-S44 WeakPolarHBondContact O-CB 3.32Å; A41-S44 PolarHBondContact O-N 3.31Å; A41-S44 PolarHBondContact O-OG 2.83Å; A41-S44 VanDerWaalsContact O-OG 3.07Å; G42-S44 PolarHBondContact O-N 3.25Å; S44-C225 WeakPolarHBondContact CB-O 3.47Å; S44-C225 WeakPolarHBondContact OG-CB 3.41Å; S44-C225 PolarHBondContact OG-O 2.66Å; S44-N270 PolarHBondContact O-ND2 2.84Å
45G96Very high94.7Very high10 Ų1016.5 Ų16.510%0.1039%0.093CC..SBendtrans101.412.5176.800000115.8E43 S47 T48 I49E43-G45 PolarHBondContact O-N 3.15Å; G45-S47 PolarHBondContact O-N 2.82Å; G45-T48 WeakPolarHBondContact O-CB 3.4Å; G45-T48 PolarHBondContact O-N 3.2Å; G45-T48 VanDerWaalsContact O-N 3.14Å; G45-I49 PolarHBondContact O-N 3.37Å
46K95.9Very high94.8Very high9 Ų914.7 Ų14.74%0.0399%0.086CC..Hα-helixtrans-52.1-56177.1-63.4-177.3-64.9-66.30113.2L38 G40 A41 T48 I49 V50 D201 V202 C225L38-K46 HydrophobicContact CB-CB 4.28Å; L38-K46 HydrophobicContact CB-CD 4.26Å; L38-K46 HydrophobicContact CB-CG 4.3Å; G40-K46 PolarHBondContact O-NZ 3.1Å; A41-K46 PolarHBondContact O-NZ 3.48Å; K46-T48 PolarHBondContact O-N 3.31Å; K46-I49 WeakPolarHBondContact O-CA 3.35Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 2.93Å; K46-V50 PolarHBondContact O-N 3.31Å; K46-V50 VanDerWaalsContact O-N 3.07Å; K46-D201 VanDerWaalsContact CB-OD1 3.27Å; K46-D201 WeakPolarHBondContact CB-OD1 3.16Å; K46-V202 WeakPolarHBondContact CE-O 3.34Å; K46-C225 HydrophobicContact CG-CB 4.07Å
47S95.9Very high94.7Very high34 Ų3416 Ų1624%0.2389%0.092CC..Hα-helixtrans-63.5-29.1179.7-45.60000112.3G45 V50 K51 T182 D201G45-S47 PolarHBondContact O-N 2.82Å; S47-V50 PolarHBondContact O-N 2.88Å; S47-K51 VanDerWaalsContact O-CG 3.26Å; S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 2.9Å; S47-T182 PolarHBondContact OG-OG1 3.27Å; S47-D201 WeakPolarHBondContact CA-OD2 3.14Å; S47-D201 VanDerWaalsContact CB-OD2 3.3Å; S47-D201 WeakPolarHBondContact CB-OD2 3.11Å; S47-D201 PolarHBondContact OG-OD2 3.22Å
48T96.7Very high94.4Very high27 Ų2719.8 Ų19.817%0.16611%0.11CC..Hα-helixtrans-66.9-40.4173-48.90000111.2G45 K46 K51 Q52 L176 A327 T328G45-T48 WeakPolarHBondContact O-CB 3.4Å; G45-T48 PolarHBondContact O-N 3.2Å; G45-T48 VanDerWaalsContact O-N 3.14Å; K46-T48 PolarHBondContact O-N 3.31Å; T48-K51 PolarHBondContact O-N 3.04Å; T48-Q52 WeakPolarHBondContact O-CG 3.32Å; T48-Q52 PolarHBondContact O-N 2.82Å; T48-L176 HydrophobicContact CG2-CD2 4.22Å; T48-A327 HydrophobicContact CG2-CB 3.7Å; T48-A327 VanDerWaalsContact CG2-O 3.31Å; T48-A327 WeakPolarHBondContact CG2-O 3.48Å; T48-T328 HydrophobicContact CG2-CG2 4.3Å
49I95.9Very high94.1Very high1 Ų127.8 Ų27.81%0.00515%0.153CC..Hα-helixtrans-62-41.9173.3-64.4-63.3000111.2L38 G45 K46 K51 Q52 M53 F268 A327 V333L38-I49 HydrophobicContact CD2-CB 4.38Å; L38-I49 HydrophobicContact CD2-CG2 4.12Å; G45-I49 PolarHBondContact O-N 3.37Å; K46-I49 WeakPolarHBondContact O-CA 3.35Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 2.93Å; I49-K51 PolarHBondContact O-N 2.73Å; I49-Q52 WeakPolarHBondContact O-CB 3.42Å; I49-Q52 PolarHBondContact O-N 3.41Å; I49-Q52 VanDerWaalsContact O-N 3.17Å; I49-M53 PolarHBondContact O-N 3.05Å; I49-M53 VanDerWaalsContact O-N 3.13Å; I49-F268 HydrophobicContact CD1-CD2 4.17Å; I49-F268 HydrophobicContact CD1-CE2 4.15Å; I49-F268 HydrophobicContact CG1-CD2 4.3Å; I49-F268 HydrophobicContact CG1-CE2 4.45Å; I49-F268 HydrophobicContact CG2-CE2 4.4Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.17Å; I49-V333 HydrophobicContact CD1-CG1 4.16Å; I49-V333 HydrophobicContact CD1-CG2 3.94Å
50V94.3Very high93.9Very high15 Ų1528.1 Ų28.19%0.09116%0.156CC..Hα-helixtrans-60.3-47.2174.6175.90000111.8L38 K46 S47 Q52 M53 K54 T188 M199 D201L38-V50 HydrophobicContact CD1-CG2 3.25Å; K46-V50 PolarHBondContact O-N 3.31Å; K46-V50 VanDerWaalsContact O-N 3.07Å; S47-V50 PolarHBondContact O-N 2.88Å; V50-Q52 PolarHBondContact O-N 2.97Å; V50-M53 WeakPolarHBondContact O-CB 3.34Å; V50-M53 PolarHBondContact O-N 2.9Å; V50-K54 PolarHBondContact O-N 2.84Å; V50-T188 HydrophobicContact CG1-CG2 4.13Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.04Å; V50-M199 HydrophobicContact CG2-CG 4.25Å; V50-M199 HydrophobicContact CG2-SD 3.89Å; V50-D201 HydrophobicContact CG2-CB 3.69Å
51K95.4Very high93.8Very high23 Ų2329.2 Ų29.210%0.116%0.16CC..Hα-helixtrans-57.9-36.8176.8-67.2173178177.50111.5S47 T48 I49 M53 K54 I55 Y61 V175 L176 T178S47-K51 VanDerWaalsContact O-CG 3.26Å; S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 2.9Å; T48-K51 PolarHBondContact O-N 3.04Å; I49-K51 PolarHBondContact O-N 2.73Å; K51-M53 VanDerWaalsContact C-N 3.34Å; K51-M53 PolarHBondContact O-N 3.25Å; K51-K54 PolarHBondContact O-N 3.12Å; K51-I55 WeakPolarHBondContact O-CG1 3.38Å; K51-I55 PolarHBondContact O-N 3.37Å; K51-Y61 WeakPolarHBondContact CA-OH 3.49Å; K51-Y61 HydrophobicContact CB-CE2 4.35Å; K51-Y61 VanDerWaalsContact CB-OH 3.28Å; K51-Y61 WeakPolarHBondContact CB-OH 3.41Å; K51-Y61 VanDerWaalsContact CG-OH 3.25Å; K51-Y61 WeakPolarHBondContact CG-OH 3.39Å; K51-V175 PolarHBondContact NZ-O 3.06Å; K51-L176 HydrophobicContact CB-CD2 3.67Å; K51-T178 PolarHBondContact NZ-O 3.24Å; K51-T178 PolarHBondContact NZ-OG1 3.45Å
52Q95.8Very high93.9Very high0 Ų031.5 Ų31.50%018%0.176CC..Hα-helixtrans-65.2-34.8175.3-70-76.417.600112.8T48 I49 V50 K54 I55 I56 L176 A327 T330 V333T48-Q52 WeakPolarHBondContact O-CG 3.32Å; T48-Q52 PolarHBondContact O-N 2.82Å; I49-Q52 WeakPolarHBondContact O-CB 3.42Å; I49-Q52 PolarHBondContact O-N 3.41Å; I49-Q52 VanDerWaalsContact O-N 3.17Å; V50-Q52 PolarHBondContact O-N 2.97Å; Q52-K54 VanDerWaalsContact C-N 3.26Å; Q52-K54 PolarHBondContact O-N 3Å; Q52-I55 PolarHBondContact O-N 2.96Å; Q52-I56 HydrophobicContact CB-CD1 4.06Å; Q52-I56 WeakPolarHBondContact O-CB 3.37Å; Q52-I56 WeakPolarHBondContact O-CD1 3.48Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.13Å; Q52-I56 PolarHBondContact O-N 3.41Å; Q52-L176 HydrophobicContact CG-CD2 3.77Å; Q52-A327 WeakPolarHBondContact CG-O 3.31Å; Q52-A327 PolarHBondContact NE2-O 3.34Å; Q52-T330 PolarHBondContact NE2-OG1 3.5Å; Q52-T330 PolarHBondContact OE1-OG1 2.89Å; Q52-V333 HydrophobicContact CB-CB 4.36Å; Q52-V333 HydrophobicContact CB-CG1 3.79Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.2Å; Q52-V333 HydrophobicContact CG-CG2 4.14Å
53M93.5Very high94.1Very high1 Ų135.7 Ų35.71%0.00519%0.189CC..Hα-helixtrans-61-38.9177.2-61.1-58.99500111.6I49 V50 K51 I56 H57 F190 M199 V333 F337I49-M53 PolarHBondContact O-N 3.05Å; I49-M53 VanDerWaalsContact O-N 3.13Å; V50-M53 WeakPolarHBondContact O-CB 3.34Å; V50-M53 PolarHBondContact O-N 2.9Å; K51-M53 VanDerWaalsContact C-N 3.34Å; K51-M53 PolarHBondContact O-N 3.25Å; M53-I56 HydrophobicContact CE-CD1 4.25Å; M53-I56 PolarHBondContact O-N 3.18Å; M53-H57 WeakPolarHBondContact O-CB 3.24Å; M53-H57 PolarHBondContact O-N 3.33Å; M53-F190 HydrophobicContact CB-CD1 3.94Å; M53-F190 HydrophobicContact CB-CE1 3.81Å; M53-F190 HydrophobicContact CB-CG 4.44Å; M53-F190 HydrophobicContact CB-CZ 4.2Å; M53-F190 HydrophobicContact CG-CD1 4.4Å; M53-F190 HydrophobicContact CG-CE1 3.76Å; M53-F190 HydrophobicContact CG-CZ 3.91Å; M53-F190 HydrophobicContact SD-CE1 4.2Å; M53-F190 HydrophobicContact SD-CE2 4.19Å; M53-F190 HydrophobicContact SD-CZ 3.7Å; M53-M199 HydrophobicContact CG-CE 3.72Å; M53-M199 HydrophobicContact CG-SD 3.7Å; M53-M199 HydrophobicContact SD-CE 3.95Å; M53-V333 HydrophobicContact CE-CG1 3.72Å; M53-F337 HydrophobicContact CE-CB 4.41Å; M53-F337 HydrophobicContact CE-CD2 4.01Å; M53-F337 HydrophobicContact CE-CG 4.12Å; M53-F337 HydrophobicContact SD-CD1 4.22Å; M53-F337 HydrophobicContact SD-CD2 3.72Å; M53-F337 HydrophobicContact SD-CE1 4.16Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 4.02Å; M53-F337 HydrophobicContact SD-CZ 3.89Å
54K92.7Very high94.4Very high44 Ų4438.3 Ų38.319%0.19120%0.204CC..Hα-helixtrans-63.3-39.7172.4175.2155.4-178.61540112.6V50 K51 Q52 E58 G60 Y61 E65V50-K54 PolarHBondContact O-N 2.84Å; K51-K54 PolarHBondContact O-N 3.12Å; Q52-K54 VanDerWaalsContact C-N 3.26Å; Q52-K54 PolarHBondContact O-N 3Å; K54-E58 HydrophobicContact CG-CB 4.49Å; K54-E58 WeakPolarHBondContact CG-OE2 3.42Å; K54-E58 CarbonylContact O-C 3.52Å; K54-E58 WeakPolarHBondContact O-CB 3.23Å; K54-E58 PolarHBondContact O-N 3.37Å; K54-G60 WeakPolarHBondContact CE-O 3.44Å; K54-G60 WeakPolarHBondContact O-CA 3.44Å; K54-G60 PolarHBondContact O-N 3.44Å; K54-G60 VanDerWaalsContact O-N 3.15Å; K54-Y61 HydrophobicContact CD-CD1 4.3Å; K54-Y61 HydrophobicContact CD-CE1 3.85Å; K54-Y61 HydrophobicContact CD-CE2 4.49Å; K54-Y61 HydrophobicContact CG-CE2 4.35Å; K54-E65 IonicContact NZ-OE1 3.43Å; K54-E65 PolarHBondContact NZ-OE1 3.24Å; K54-E65 IonicContact NZ-OE2 3.63Å
55I94.1Very high94.3Very high32 Ų3240.8 Ų40.816%0.16422%0.216CC..Hα-helixtrans-69.3-38.5178.5-62.4178.6000112.3K51 Q52 Y61 Q172 L176 T330K51-I55 WeakPolarHBondContact O-CG1 3.38Å; K51-I55 PolarHBondContact O-N 3.37Å; Q52-I55 PolarHBondContact O-N 2.96Å; I55-Y61 HydrophobicContact CD1-CD2 4.15Å; I55-Y61 HydrophobicContact CD1-CE2 4.03Å; I55-Y61 HydrophobicContact CG1-CD2 3.86Å; I55-Y61 HydrophobicContact CG1-CE2 3.76Å; I55-Q172 HydrophobicContact CD1-CB 4.22Å; I55-Q172 VanDerWaalsContact CG1-OE1 3.31Å; I55-L176 HydrophobicContact CD1-CD1 3.7Å; I55-L176 HydrophobicContact CD1-CD2 3.75Å; I55-L176 HydrophobicContact CD1-CG 3.68Å; I55-T330 HydrophobicContact CG2-CG2 3.94Å
56I92.9Very high94.4Very high27 Ų2740.6 Ų40.614%0.13821%0.213CC..Hα-helixtrans-89.8-36.5-170.4-62.1163.3000111.8Q52 M53 T330 V333 Q334Q52-I56 HydrophobicContact CB-CD1 4.06Å; Q52-I56 WeakPolarHBondContact O-CB 3.37Å; Q52-I56 WeakPolarHBondContact O-CD1 3.48Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.13Å; Q52-I56 PolarHBondContact O-N 3.41Å; M53-I56 HydrophobicContact CE-CD1 4.25Å; M53-I56 PolarHBondContact O-N 3.18Å; I56-T330 HydrophobicContact CD1-CG2 4.23Å; I56-T330 HydrophobicContact CG1-CG2 3.73Å; I56-V333 HydrophobicContact CD1-CB 4.15Å; I56-V333 HydrophobicContact CD1-CG1 3.9Å; I56-Q334 HydrophobicContact CD1-CB 3.93Å; I56-Q334 HydrophobicContact CG1-CB 4.34Å; I56-Q334 HydrophobicContact CG2-CB 4.02Å; I56-Q334 HydrophobicContact CG2-CG 3.73Å
57H89.6Confident94.4Very high31 Ų3144.2 Ų44.214%0.14423%0.228CC..Hα-helixtrans-118.20.1-169.1-57.3-58.2000114.3M53 F190 F192 F337M53-H57 WeakPolarHBondContact O-CB 3.24Å; M53-H57 PolarHBondContact O-N 3.33Å; H57-F190 HydrophobicContact CB-CB 4.23Å; H57-F190 HydrophobicContact CB-CD2 3.75Å; H57-F190 HydrophobicContact CB-CG 4.29Å; H57-F190 AromaticContact CD2-CD2 3.77Å; H57-F190 AromaticContact CD2-CE2 3.67Å; H57-F190 AromaticContact CG-CD2 3.93Å; H57-F192 AromaticContact CE1-CD2 3.33Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.44Å; H57-F192 AromaticContact CE1-CE2 3.58Å; H57-F192 AromaticContact CE1-CG 3.61Å; H57-F192 AromaticContact ND1-CD2 3.32Å; H57-F192 VanDerWaalsContact ND1-CD2 3.32Å; H57-F192 WeakPolarHBondContact ND1-CD2 3.08Å; H57-F192 AromaticContact ND1-CE2 3.9Å; H57-F192 AromaticContact ND1-CG 3.76Å; H57-F337 AromaticContact NE2-CD1 3.39Å; H57-F337 WeakPolarHBondContact NE2-CD1 3.4Å; H57-F337 AromaticContact NE2-CE1 3.73Å
58E88.7Confident94.5Very high79 Ų7949.5 Ų49.537%0.36925%0.25SC..SBendtrans-125.9-159.4169.4-52.9-179.1172.800109.6K54 G60 F190K54-E58 HydrophobicContact CG-CB 4.49Å; K54-E58 WeakPolarHBondContact CG-OE2 3.42Å; K54-E58 CarbonylContact O-C 3.52Å; K54-E58 WeakPolarHBondContact O-CB 3.23Å; K54-E58 PolarHBondContact O-N 3.37Å; E58-G60 PolarHBondContact O-N 3.03Å; E58-F190 HydrophobicContact CG-CB 4.35Å
59D90.6Very high94.5Very high169 Ų16950.9 Ų50.990%0.90425%0.252SS*.  trans-82.911178.4-60.4-53000113.3
60G92.6Very high94.6Very high6 Ų654.4 Ų54.46%0.06227%0.265CS..  trans66.5-153.5-172.500000113.3K54 E58K54-G60 WeakPolarHBondContact CE-O 3.44Å; K54-G60 WeakPolarHBondContact O-CA 3.44Å; K54-G60 PolarHBondContact O-N 3.44Å; K54-G60 VanDerWaalsContact O-N 3.15Å; E58-G60 PolarHBondContact O-N 3.03Å
61Y95.2Very high94.7Very high23 Ų2355.6 Ų55.69%0.0928%0.277CS..  trans-96.1120.3177-65.2-86.3000110.3K51 K54 I55 E65 Y69 V175K51-Y61 WeakPolarHBondContact CA-OH 3.49Å; K51-Y61 HydrophobicContact CB-CE2 4.35Å; K51-Y61 VanDerWaalsContact CB-OH 3.28Å; K51-Y61 WeakPolarHBondContact CB-OH 3.41Å; K51-Y61 VanDerWaalsContact CG-OH 3.25Å; K51-Y61 WeakPolarHBondContact CG-OH 3.39Å; K54-Y61 HydrophobicContact CD-CD1 4.3Å; K54-Y61 HydrophobicContact CD-CE1 3.85Å; K54-Y61 HydrophobicContact CD-CE2 4.49Å; K54-Y61 HydrophobicContact CG-CE2 4.35Å; I55-Y61 HydrophobicContact CD1-CD2 4.15Å; I55-Y61 HydrophobicContact CD1-CE2 4.03Å; I55-Y61 HydrophobicContact CG1-CD2 3.86Å; I55-Y61 HydrophobicContact CG1-CE2 3.76Å; Y61-E65 HydrophobicContact CD1-CB 4.29Å; Y61-Y69 HydrophobicContact CD1-CE2 4.14Å; Y61-Y69 HydrophobicContact CE1-CE2 4.06Å; Y61-V175 HydrophobicContact CD1-CG1 4.14Å; Y61-V175 HydrophobicContact CD2-CG1 4.09Å; Y61-V175 HydrophobicContact CE1-CG1 3.96Å; Y61-V175 HydrophobicContact CE2-CG1 3.91Å; Y61-V175 HydrophobicContact CG-CG1 4.2Å
62S96.4Very high94.8Very high57 Ų5756.3 Ų56.340%0.39928%0.283SS..  trans-63.8162.6170.862.80000111.4D64 E65 C66S62-D64 PolarHBondContact O-N 3.48Å; S62-E65 PolarHBondContact N-OE2 2.97Å; S62-E65 PolarHBondContact O-N 3.48Å; S62-E65 VanDerWaalsContact OG-CG 3.24Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 3.45Å; S62-E65 PolarHBondContact OG-OE2 3.31Å; S62-C66 WeakPolarHBondContact O-CB 3.38Å; S62-C66 PolarHBondContact O-N 3.38Å; S62-C66 PolarHBondContact O-SG 2.93Å
63E96.4Very high95Very high112 Ų11256.3 Ų56.352%0.52328%0.283SS..Hα-helixtrans-57.8-39.9177.2-165.2-171.6111.900112C66 K67 I169E63-C66 WeakPolarHBondContact O-CB 3.28Å; E63-C66 PolarHBondContact O-N 3.35Å; E63-K67 WeakPolarHBondContact O-CG 3.47Å; E63-K67 PolarHBondContact O-N 3.29Å; E63-K67 WeakPolarHBondContact OE1-CE 3.23Å; E63-K67 IonicContact OE1-NZ 3.07Å; E63-K67 PolarHBondContact OE1-NZ 3.46Å; E63-I169 HydrophobicContact CG-CD1 3.95Å; E63-I169 HydrophobicContact CG-CG2 3.88Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å
64D96.5Very high95.2Very high103 Ų10356.5 Ų56.555%0.55128%0.284SS*.Hα-helixtrans-70.3-35.6-179.8-70-24.1000112.5S62 K67 Q68S62-D64 PolarHBondContact O-N 3.48Å; D64-K67 PolarHBondContact O-N 2.76Å; D64-K67 IonicContact OD1-NZ 2.73Å; D64-K67 PolarHBondContact OD1-NZ 3.22Å; D64-Q68 WeakPolarHBondContact O-CG 3.29Å; D64-Q68 PolarHBondContact O-N 3.43Å
65E95.9Very high95.4Very high53 Ų5355.8 Ų55.825%0.24828%0.284CS..Hα-helixtrans-66.9-44.1170.3-71.2171.2125.500111.1K54 Y61 S62 K67 Q68 Y69K54-E65 IonicContact NZ-OE1 3.43Å; K54-E65 PolarHBondContact NZ-OE1 3.24Å; K54-E65 IonicContact NZ-OE2 3.63Å; Y61-E65 HydrophobicContact CD1-CB 4.29Å; S62-E65 PolarHBondContact N-OE2 2.97Å; S62-E65 PolarHBondContact O-N 3.48Å; S62-E65 VanDerWaalsContact OG-CG 3.24Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 3.45Å; S62-E65 PolarHBondContact OG-OE2 3.31Å; E65-K67 VanDerWaalsContact C-N 3.27Å; E65-K67 PolarHBondContact O-N 2.86Å; E65-Q68 WeakPolarHBondContact O-CB 3.48Å; E65-Q68 PolarHBondContact O-N 3.41Å; E65-Y69 VanDerWaalsContact O-CD2 3.23Å; E65-Y69 WeakPolarHBondContact O-CD2 3.25Å
66C97.4Very high95.6Very high6 Ų654.6 Ų54.64%0.04128%0.278CS..Hα-helixtrans-56.1-41.1174.9-78.40000112S62 E63 Q68 Y69 I169 P170S62-C66 WeakPolarHBondContact O-CB 3.38Å; S62-C66 PolarHBondContact O-N 3.38Å; S62-C66 PolarHBondContact O-SG 2.93Å; E63-C66 WeakPolarHBondContact O-CB 3.28Å; E63-C66 PolarHBondContact O-N 3.35Å; C66-Q68 VanDerWaalsContact C-N 3.26Å; C66-Q68 PolarHBondContact O-N 2.92Å; C66-Y69 PolarHBondContact O-N 2.93Å; C66-I169 HydrophobicContact CB-CG2 4.28Å; C66-P170 VanDerWaalsContact CB-O 3.23Å; C66-P170 WeakPolarHBondContact CB-O 3.24Å; C66-P170 WeakPolarHBondContact O-CD 3.45Å; C66-P170 VanDerWaalsContact O-CG 3.26Å; C66-P170 WeakPolarHBondContact O-CG 3.41Å
67K96.9Very high95.9Very high85 Ų8553.3 Ų53.337%0.3727%0.272SS..Hα-helixtrans-58.5-35174.7-73.7169.4-167.4151.20112.6E63 D64 E65 Y69 R70 I169E63-K67 WeakPolarHBondContact O-CG 3.47Å; E63-K67 PolarHBondContact O-N 3.29Å; E63-K67 WeakPolarHBondContact OE1-CE 3.23Å; E63-K67 IonicContact OE1-NZ 3.07Å; E63-K67 PolarHBondContact OE1-NZ 3.46Å; D64-K67 PolarHBondContact O-N 2.76Å; D64-K67 IonicContact OD1-NZ 2.73Å; D64-K67 PolarHBondContact OD1-NZ 3.22Å; E65-K67 VanDerWaalsContact C-N 3.27Å; E65-K67 PolarHBondContact O-N 2.86Å; K67-Y69 PolarHBondContact O-N 2.97Å; K67-R70 WeakPolarHBondContact O-CB 3.36Å; K67-R70 PolarHBondContact O-N 3.27Å; K67-R70 VanDerWaalsContact O-N 3.08Å; K67-I169 HydrophobicContact CG-CG1 4.47Å; K67-I169 HydrophobicContact CG-CG2 4.27Å
68Q96.4Very high96.3Very high146 Ų14651.9 Ų51.968%0.68227%0.265SS*.Hα-helixtrans-65-25.5177.8-62.7170.917.500112.5D64 E65 C66 R70D64-Q68 WeakPolarHBondContact O-CG 3.29Å; D64-Q68 PolarHBondContact O-N 3.43Å; E65-Q68 WeakPolarHBondContact O-CB 3.48Å; E65-Q68 PolarHBondContact O-N 3.41Å; C66-Q68 VanDerWaalsContact C-N 3.26Å; C66-Q68 PolarHBondContact O-N 2.92Å; Q68-R70 VanDerWaalsContact C-N 3.33Å
69Y97.6Very high96.8Very high56 Ų5652.6 Ų52.622%0.2227%0.269CS..THydrogen-bonded Turntrans-82.8-6175.6-70.5-84.8000113.9Y61 E65 C66 K67 A71 V72 V73 V175 T178Y61-Y69 HydrophobicContact CD1-CE2 4.14Å; Y61-Y69 HydrophobicContact CE1-CE2 4.06Å; E65-Y69 VanDerWaalsContact O-CD2 3.23Å; E65-Y69 WeakPolarHBondContact O-CD2 3.25Å; C66-Y69 PolarHBondContact O-N 2.93Å; K67-Y69 PolarHBondContact O-N 2.97Å; Y69-A71 PolarHBondContact O-N 2.95Å; Y69-V72 WeakPolarHBondContact O-CB 3.42Å; Y69-V72 PolarHBondContact O-N 3.05Å; Y69-V72 VanDerWaalsContact O-N 3.07Å; Y69-V73 WeakPolarHBondContact O-CG2 3.42Å; Y69-V73 PolarHBondContact O-N 3.25Å; Y69-V175 HydrophobicContact CD1-CG1 4.16Å; Y69-V175 HydrophobicContact CD2-CB 4.38Å; Y69-V175 HydrophobicContact CD2-CG1 3.81Å; Y69-V175 HydrophobicContact CD2-CG2 3.68Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.69Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.43Å; Y69-V175 HydrophobicContact CG-CG1 4.05Å; Y69-V175 HydrophobicContact CG-CG2 3.87Å; Y69-T178 HydrophobicContact CD1-CG2 4.25Å
70R97.4Very high97.1Very high74 Ų7444.7 Ų44.728%0.27923%0.227SC..Hα-helixtrans-58.1-49.7-175.4-175175.6177.3172.80.6112.2K67 Q68 V72 V73 Y74 K165 A166 Y168 P170K67-R70 WeakPolarHBondContact O-CB 3.36Å; K67-R70 PolarHBondContact O-N 3.27Å; K67-R70 VanDerWaalsContact O-N 3.08Å; Q68-R70 VanDerWaalsContact C-N 3.33Å; R70-V72 VanDerWaalsContact C-N 3.25Å; R70-V72 PolarHBondContact O-N 3.46Å; R70-V73 PolarHBondContact O-N 3.46Å; R70-Y74 HydrophobicContact CG-CD2 4.15Å; R70-Y74 HydrophobicContact CG-CE1 4.32Å; R70-Y74 HydrophobicContact CG-CE2 3.59Å; R70-Y74 VanDerWaalsContact CZ-OH 3.29Å; R70-Y74 PolarHBondContact NE-OH 3.43Å; R70-Y74 PolarHBondContact NH2-OH 3.35Å; R70-Y74 PolarHBondContact O-N 2.86Å; R70-K165 PolarHBondContact NH2-O 2.92Å; R70-A166 PolarHBondContact NH1-O 3.49Å; R70-A166 VanDerWaalsContact NH1-O 3.16Å; R70-A166 PolarHBondContact NH2-O 2.75Å; R70-Y168 HydrophobicContact CG-CD1 4.12Å; R70-Y168 HydrophobicContact CG-CE1 4.37Å; R70-Y168 PolarHBondContact NE-O 3.46Å; R70-Y168 PolarHBondContact NH1-O 2.86Å; R70-P170 HydrophobicContact CB-CG 3.93Å; R70-P170 HydrophobicContact CG-CG 4.49Å
71A97.2Very high97.4Very high41 Ų4144.4 Ų44.434%0.33922%0.224SC..Hα-helixtrans-60.9-35.717700000112.1Y69 Y74 S75Y69-A71 PolarHBondContact O-N 2.95Å; A71-Y74 PolarHBondContact O-N 3.01Å; A71-S75 WeakPolarHBondContact O-CB 3.31Å; A71-S75 PolarHBondContact O-N 3.43Å
72V97.8Very high97.5Very high37 Ų3744.5 Ų44.522%0.22423%0.225CC..Hα-helixtrans-68-43.2177.4-175.80000111.2Y69 R70 Y74 S75 N76 T178 V180Y69-V72 WeakPolarHBondContact O-CB 3.42Å; Y69-V72 PolarHBondContact O-N 3.05Å; Y69-V72 VanDerWaalsContact O-N 3.07Å; R70-V72 VanDerWaalsContact C-N 3.25Å; R70-V72 PolarHBondContact O-N 3.46Å; V72-Y74 VanDerWaalsContact C-N 3.33Å; V72-Y74 PolarHBondContact O-N 3.13Å; V72-S75 PolarHBondContact O-N 2.86Å; V72-N76 WeakPolarHBondContact O-CB 3.44Å; V72-N76 VanDerWaalsContact O-CG 3.25Å; V72-N76 PolarHBondContact O-N 3.14Å; V72-N76 PolarHBondContact O-ND2 3.21Å; V72-T178 HydrophobicContact CB-CG2 4.28Å; V72-T178 HydrophobicContact CG1-CG2 3.92Å; V72-V180 HydrophobicContact CG1-CG2 3.6Å; V72-V180 HydrophobicContact CG2-CG2 4.43Å
73V98.4Very high97.6Very high0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-60.4-44.7175172.30000110.5Y69 R70 N76 T77 Y156 I163 Y168 P170 D174 T178Y69-V73 WeakPolarHBondContact O-CG2 3.42Å; Y69-V73 PolarHBondContact O-N 3.25Å; R70-V73 PolarHBondContact O-N 3.46Å; V73-N76 PolarHBondContact O-N 3.49Å; V73-T77 WeakPolarHBondContact O-CB 3.35Å; V73-T77 PolarHBondContact O-N 3.31Å; V73-T77 PolarHBondContact O-OG1 3.28Å; V73-Y156 HydrophobicContact CB-CE1 4.42Å; V73-Y156 HydrophobicContact CG1-CD1 3.83Å; V73-Y156 HydrophobicContact CG1-CE1 3.65Å; V73-Y156 HydrophobicContact CG2-CE1 4.2Å; V73-I163 HydrophobicContact CG1-CD1 4.34Å; V73-I163 HydrophobicContact CG1-CG2 4.1Å; V73-Y168 HydrophobicContact CG1-CE1 4.22Å; V73-P170 HydrophobicContact CG2-CB 4.47Å; V73-P170 HydrophobicContact CG2-CG 4.44Å; V73-D174 HydrophobicContact CG2-CB 4.11Å; V73-T178 HydrophobicContact CG2-CG2 3.59Å
74Y98.3Very high97.7Very high5 Ų537.8 Ų37.82%0.0219%0.192CC..Hα-helixtrans-61-50.5176.9-65.8-18.9000112R70 A71 V72 N76 T77 I78 L120 I163 Y168R70-Y74 HydrophobicContact CG-CD2 4.15Å; R70-Y74 HydrophobicContact CG-CE1 4.32Å; R70-Y74 HydrophobicContact CG-CE2 3.59Å; R70-Y74 VanDerWaalsContact CZ-OH 3.29Å; R70-Y74 PolarHBondContact NE-OH 3.43Å; R70-Y74 PolarHBondContact NH2-OH 3.35Å; R70-Y74 PolarHBondContact O-N 2.86Å; A71-Y74 PolarHBondContact O-N 3.01Å; V72-Y74 VanDerWaalsContact C-N 3.33Å; V72-Y74 PolarHBondContact O-N 3.13Å; Y74-N76 VanDerWaalsContact C-N 3.35Å; Y74-N76 PolarHBondContact O-N 3.35Å; Y74-T77 WeakPolarHBondContact O-CB 3.44Å; Y74-T77 PolarHBondContact O-N 2.92Å; Y74-T77 VanDerWaalsContact O-N 3.12Å; Y74-I78 VanDerWaalsContact O-CG1 3.31Å; Y74-I78 WeakPolarHBondContact O-CG1 3.42Å; Y74-I78 PolarHBondContact O-N 3.01Å; Y74-L120 HydrophobicContact CD1-CB 3.73Å; Y74-L120 HydrophobicContact CD1-CD2 4.08Å; Y74-L120 HydrophobicContact CD2-CB 3.91Å; Y74-L120 HydrophobicContact CE1-CB 3.83Å; Y74-L120 HydrophobicContact CE1-CD2 4.16Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.74Å; Y74-I163 HydrophobicContact CD1-CG2 3.71Å; Y74-I163 HydrophobicContact CE1-CG2 3.54Å; Y74-I163 VanDerWaalsContact CE1-O 3.24Å; Y74-I163 WeakPolarHBondContact CE1-O 3.48Å; Y74-I163 PolarHBondContact OH-O 3.35Å; Y74-I163 VanDerWaalsContact OH-O 3.13Å; Y74-Y168 AromaticContact CE1-CD1 3.64Å; Y74-Y168 HydrophobicContact CE1-CD1 3.64Å; Y74-Y168 AromaticContact CE1-CE1 3.89Å; Y74-Y168 HydrophobicContact CE1-CE1 3.89Å; Y74-Y168 AromaticContact CZ-CD1 3.86Å
75S97.9Very high97.8Very high29 Ų2933.3 Ų33.320%0.20317%0.168CC..Hα-helixtrans-57.2-46.4176174.70000111.8A71 V72 T77 I78 Q79A71-S75 WeakPolarHBondContact O-CB 3.31Å; A71-S75 PolarHBondContact O-N 3.43Å; V72-S75 PolarHBondContact O-N 2.86Å; S75-T77 VanDerWaalsContact C-N 3.3Å; S75-T77 PolarHBondContact O-N 2.61Å; S75-I78 PolarHBondContact O-N 2.67Å; S75-Q79 VanDerWaalsContact O-CB 3.3Å; S75-Q79 WeakPolarHBondContact O-CB 3.39Å; S75-Q79 VanDerWaalsContact O-CG 3.23Å; S75-Q79 WeakPolarHBondContact O-CG 3.42Å; S75-Q79 PolarHBondContact O-N 2.94Å; S75-Q79 PolarHBondContact OG-NE2 3.39Å; S75-Q79 VanDerWaalsContact OG-NE2 3.07Å
76N98.2Very high97.9Very high8 Ų836.8 Ų36.84%0.04318%0.183CC..Hα-helixtrans-62.4-35.9177.2-73.8-174.8000112.9V72 V73 Y74 S80 Y156 T178 R179V72-N76 WeakPolarHBondContact O-CB 3.44Å; V72-N76 VanDerWaalsContact O-CG 3.25Å; V72-N76 PolarHBondContact O-N 3.14Å; V72-N76 PolarHBondContact O-ND2 3.21Å; V73-N76 PolarHBondContact O-N 3.49Å; Y74-N76 VanDerWaalsContact C-N 3.35Å; Y74-N76 PolarHBondContact O-N 3.35Å; N76-S80 VanDerWaalsContact O-CB 3.3Å; N76-S80 WeakPolarHBondContact O-CB 3.37Å; N76-S80 PolarHBondContact O-N 3.21Å; N76-S80 VanDerWaalsContact O-N 3.1Å; N76-S80 PolarHBondContact O-OG 2.84Å; N76-Y156 HydrophobicContact CB-CD2 4.29Å; N76-Y156 HydrophobicContact CB-CE2 3.98Å; N76-T178 WeakPolarHBondContact OD1-CA 3.09Å; N76-R179 PolarHBondContact ND2-O 3.31Å; N76-R179 VanDerWaalsContact ND2-O 3.12Å; N76-R179 PolarHBondContact OD1-N 2.89Å; N76-R179 PolarHBondContact OD1-O 3.24Å
77T98.4Very high97.9Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-66.7-51.1176.7-54.30000110.7V73 Y74 S75 S80 I81 L157 L160V73-T77 WeakPolarHBondContact O-CB 3.35Å; V73-T77 PolarHBondContact O-N 3.31Å; V73-T77 PolarHBondContact O-OG1 3.28Å; Y74-T77 WeakPolarHBondContact O-CB 3.44Å; Y74-T77 PolarHBondContact O-N 2.92Å; Y74-T77 VanDerWaalsContact O-N 3.12Å; S75-T77 VanDerWaalsContact C-N 3.3Å; S75-T77 PolarHBondContact O-N 2.61Å; T77-S80 PolarHBondContact O-N 3.44Å; T77-I81 PolarHBondContact O-N 3.02Å; T77-L157 HydrophobicContact CG2-CD2 4.09Å; T77-L160 HydrophobicContact CG2-CD1 3.96Å
78I98.4Very high97.9Very high1 Ų132.9 Ų32.91%0.00517%0.167CC..Hα-helixtrans-62.1-47.8-179.5-66.3165.2000110.6Y74 S75 S80 I81 M82 A111 A114 E115 L120 L124 I128Y74-I78 VanDerWaalsContact O-CG1 3.31Å; Y74-I78 WeakPolarHBondContact O-CG1 3.42Å; Y74-I78 PolarHBondContact O-N 3.01Å; S75-I78 PolarHBondContact O-N 2.67Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.03Å; I78-I81 WeakPolarHBondContact O-CG2 3Å; I78-I81 PolarHBondContact O-N 2.77Å; I78-M82 HydrophobicContact CG2-CG 4.35Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.49Å; I78-M82 VanDerWaalsContact O-CG 3.24Å; I78-M82 WeakPolarHBondContact O-CG 3.36Å; I78-M82 PolarHBondContact O-N 3.23Å; I78-A111 HydrophobicContact CG2-CB 3.61Å; I78-A114 HydrophobicContact CD1-CB 3.95Å; I78-E115 HydrophobicContact CG2-CG 4.39Å; I78-L120 HydrophobicContact CD1-CD1 4.19Å; I78-L120 HydrophobicContact CG1-CD1 4.17Å; I78-L124 HydrophobicContact CD1-CD2 3.86Å; I78-L124 HydrophobicContact CG1-CD2 4.14Å; I78-I128 HydrophobicContact CG1-CD1 4.2Å
79Q97.9Very high97.8Very high94 Ų9429.8 Ų29.844%0.43917%0.166SC..Hα-helixtrans-63.4-35.5178.7-71.4176.88.100112.6S75 A83 E115S75-Q79 VanDerWaalsContact O-CB 3.3Å; S75-Q79 WeakPolarHBondContact O-CB 3.39Å; S75-Q79 VanDerWaalsContact O-CG 3.23Å; S75-Q79 WeakPolarHBondContact O-CG 3.42Å; S75-Q79 PolarHBondContact O-N 2.94Å; S75-Q79 PolarHBondContact OG-NE2 3.39Å; S75-Q79 VanDerWaalsContact OG-NE2 3.07Å; Q79-A83 WeakPolarHBondContact O-CB 2.9Å; Q79-A83 PolarHBondContact O-N 3.35Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.19Å; Q79-E115 PolarHBondContact NE2-OE1 3.44Å
80S98.3Very high97.7Very high3 Ų332 Ų322%0.02119%0.189CC..Hα-helixtrans-63.8-49.3178.8-64.30000111.6N76 T77 I78 A83 I84N76-S80 VanDerWaalsContact O-CB 3.3Å; N76-S80 WeakPolarHBondContact O-CB 3.37Å; N76-S80 PolarHBondContact O-N 3.21Å; N76-S80 VanDerWaalsContact O-N 3.1Å; N76-S80 PolarHBondContact O-OG 2.84Å; T77-S80 PolarHBondContact O-N 3.44Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.03Å; S80-A83 PolarHBondContact O-N 3.46Å; S80-I84 WeakPolarHBondContact O-CG1 3.46Å; S80-I84 PolarHBondContact O-N 2.9Å
81I98.5Very high97.6Very high0 Ų030 Ų300%018%0.184CC..Hα-helixtrans-68.3-38.3178.4-171.865.9000111.9T77 I78 A83 I84 V85 L107 I128 L131 W132 I137 L157T77-I81 PolarHBondContact O-N 3.02Å; I78-I81 WeakPolarHBondContact O-CG2 3Å; I78-I81 PolarHBondContact O-N 2.77Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.15Å; I81-I84 PolarHBondContact O-N 2.79Å; I81-V85 HydrophobicContact CG1-CG2 4.39Å; I81-V85 WeakPolarHBondContact O-CG2 3.37Å; I81-V85 PolarHBondContact O-N 3.07Å; I81-L107 HydrophobicContact CG1-CD2 4.1Å; I81-L107 HydrophobicContact CG2-CD1 3.93Å; I81-L107 HydrophobicContact CG2-CD2 4.05Å; I81-I128 HydrophobicContact CB-CG2 4.19Å; I81-I128 HydrophobicContact CG1-CG2 4.19Å; I81-I128 HydrophobicContact CG2-CD1 4.02Å; I81-I128 HydrophobicContact CG2-CG1 3.94Å; I81-I128 HydrophobicContact CG2-CG2 4.02Å; I81-L131 HydrophobicContact CD1-CB 4.2Å; I81-L131 HydrophobicContact CG1-CB 4.43Å; I81-L131 HydrophobicContact CG1-CD1 4.46Å; I81-W132 HydrophobicContact CD1-CE3 4.41Å; I81-I137 HydrophobicContact CD1-CD1 4.5Å; I81-I137 HydrophobicContact CD1-CG2 4.23Å; I81-L157 HydrophobicContact CB-CD2 3.98Å
82M98.1Very high97.6Very high25 Ų2536.8 Ų36.812%0.12321%0.206CC..Hα-helixtrans-60.5-40.1174.7-73.6172.483.800112.2I78 V85 K86 L107 F108 A111I78-M82 HydrophobicContact CG2-CG 4.35Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.49Å; I78-M82 VanDerWaalsContact O-CG 3.24Å; I78-M82 WeakPolarHBondContact O-CG 3.36Å; I78-M82 PolarHBondContact O-N 3.23Å; M82-V85 PolarHBondContact O-N 3.4Å; M82-K86 WeakPolarHBondContact O-CB 3.24Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.47Å; M82-K86 PolarHBondContact O-N 3Å; M82-L107 HydrophobicContact CG-CD1 4.2Å; M82-L107 HydrophobicContact CG-CD2 4.01Å; M82-L107 HydrophobicContact CG-CG 4.01Å; M82-F108 HydrophobicContact CB-CE1 4Å; M82-F108 HydrophobicContact CE-CD1 3.54Å; M82-F108 HydrophobicContact CE-CE1 3.7Å; M82-F108 HydrophobicContact CG-CD1 4.36Å; M82-F108 HydrophobicContact CG-CE1 3.94Å; M82-A111 HydrophobicContact CE-CB 3.88Å; M82-A111 HydrophobicContact CG-CB 4.49Å; M82-A111 HydrophobicContact SD-CB 3.53Å; M82-A111 VanDerWaalsContact SD-CB 3.53Å
83A98.1Very high97.6Very high28 Ų2836.2 Ų36.223%0.23120%0.201CC..Hα-helixtrans-63.6-42.4177.200000111.5Q79 S80 I81 K86 A87 L149Q79-A83 WeakPolarHBondContact O-CB 2.9Å; Q79-A83 PolarHBondContact O-N 3.35Å; S80-A83 PolarHBondContact O-N 3.46Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.15Å; A83-K86 PolarHBondContact O-N 3.16Å; A83-A87 WeakPolarHBondContact O-CB 3.27Å; A83-A87 PolarHBondContact O-N 3.31Å; A83-L149 HydrophobicContact CB-CD1 3.95Å
84I98.5Very high97.6Very high0 Ų042.9 Ų42.90%024%0.237CC..Hα-helixtrans-64.5-47.7177.1-60161.8000110.6S80 I81 K86 A87 M88 W132 I137 C140 F141 Y147 L149 L157S80-I84 WeakPolarHBondContact O-CG1 3.46Å; S80-I84 PolarHBondContact O-N 2.9Å; I81-I84 PolarHBondContact O-N 2.79Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.34Å; I84-A87 WeakPolarHBondContact O-CB 3.47Å; I84-A87 PolarHBondContact O-N 2.73Å; I84-A87 VanDerWaalsContact O-N 3.1Å; I84-M88 PolarHBondContact O-N 3.18Å; I84-W132 HydrophobicContact CD1-CE3 4.46Å; I84-W132 HydrophobicContact CD1-CZ3 3.84Å; I84-I137 HydrophobicContact CG2-CD1 4.16Å; I84-I137 HydrophobicContact CG2-CG2 4.08Å; I84-C140 HydrophobicContact CG2-CB 3.96Å; I84-F141 HydrophobicContact CD1-CD2 3.92Å; I84-F141 HydrophobicContact CG1-CD2 4.49Å; I84-Y147 HydrophobicContact CG1-CE2 4.38Å; I84-L149 HydrophobicContact CD1-CD1 4.39Å; I84-L149 HydrophobicContact CD1-CD2 4.31Å; I84-L149 HydrophobicContact CG1-CD1 3.95Å; I84-L149 HydrophobicContact CG1-CD2 4.04Å; I84-L157 HydrophobicContact CD1-CD1 3.94Å
85V98.1Very high97.6Very high8 Ų845.1 Ų45.15%0.04825%0.246CC..Hα-helixtrans-59.9-42.2178.2170.50000111.8I81 M82 A87 M88 A104 L107 F108 L131 I137I81-V85 HydrophobicContact CG1-CG2 4.39Å; I81-V85 WeakPolarHBondContact O-CG2 3.37Å; I81-V85 PolarHBondContact O-N 3.07Å; M82-V85 PolarHBondContact O-N 3.4Å; V85-A87 VanDerWaalsContact C-N 3.33Å; V85-A87 PolarHBondContact O-N 2.88Å; V85-M88 PolarHBondContact O-N 3.26Å; V85-A104 HydrophobicContact CG1-CB 3.89Å; V85-L107 HydrophobicContact CB-CD2 4.41Å; V85-L107 HydrophobicContact CG2-CD2 3.88Å; V85-F108 HydrophobicContact CB-CE2 4.42Å; V85-F108 HydrophobicContact CB-CZ 4.21Å; V85-F108 HydrophobicContact CG1-CE2 3.52Å; V85-F108 HydrophobicContact CG1-CZ 3.76Å; V85-L131 HydrophobicContact CG2-CD1 4.32Å; V85-I137 HydrophobicContact CG2-CD1 3.67Å
86K97.6Very high97.6Very high126 Ų12646.9 Ų46.955%0.54826%0.258SS..Hα-helixtrans-62.4-41.4174.3-75.1175.2-179.1174.50111.8M82 A83 I84 M88 A89 F108M82-K86 WeakPolarHBondContact O-CB 3.24Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.47Å; M82-K86 PolarHBondContact O-N 3Å; A83-K86 PolarHBondContact O-N 3.16Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.34Å; K86-M88 VanDerWaalsContact C-N 3.32Å; K86-M88 PolarHBondContact O-N 3.17Å; K86-A89 PolarHBondContact O-N 3.07Å; K86-F108 HydrophobicContact CD-CE1 4.41Å; K86-F108 HydrophobicContact CG-CE1 4.12Å; K86-F108 HydrophobicContact CG-CZ 3.78Å
87A98.1Very high97.5Very high7 Ų749.6 Ų49.66%0.05827%0.273CS..Hα-helixtrans-66.5-31.6-179.300000112.9A83 I84 V85 A89 S90 L91 Y147A83-A87 WeakPolarHBondContact O-CB 3.27Å; A83-A87 PolarHBondContact O-N 3.31Å; I84-A87 WeakPolarHBondContact O-CB 3.47Å; I84-A87 PolarHBondContact O-N 2.73Å; I84-A87 VanDerWaalsContact O-N 3.1Å; V85-A87 VanDerWaalsContact C-N 3.33Å; V85-A87 PolarHBondContact O-N 2.88Å; A87-A89 VanDerWaalsContact C-N 3.27Å; A87-A89 PolarHBondContact O-N 3Å; A87-S90 PolarHBondContact O-N 3.39Å; A87-S90 VanDerWaalsContact O-N 3.15Å; A87-L91 WeakPolarHBondContact O-CB 3.5Å; A87-L91 WeakPolarHBondContact O-CG 3.44Å; A87-L91 PolarHBondContact O-N 3.49Å; A87-Y147 HydrophobicContact CB-CD1 3.41Å; A87-Y147 VanDerWaalsContact CB-CD1 3.41Å; A87-Y147 HydrophobicContact CB-CD2 3.68Å; A87-Y147 HydrophobicContact CB-CE1 3.49Å; A87-Y147 VanDerWaalsContact CB-CE1 3.49Å; A87-Y147 HydrophobicContact CB-CE2 3.77Å; A87-Y147 HydrophobicContact CB-CG 3.49Å; A87-Y147 VanDerWaalsContact CB-CG 3.49Å
88M97.8Very high97.4Very high3 Ų354.4 Ų54.42%0.01530%0.304CS..Hα-helixtrans-54.7-43176.1-71.7-17672.500112.5I84 V85 K86 L91 K92 I93 Y95 I137 C140I84-M88 PolarHBondContact O-N 3.18Å; V85-M88 PolarHBondContact O-N 3.26Å; K86-M88 VanDerWaalsContact C-N 3.32Å; K86-M88 PolarHBondContact O-N 3.17Å; M88-L91 PolarHBondContact O-N 3.08Å; M88-K92 WeakPolarHBondContact O-CA 3.2Å; M88-K92 PolarHBondContact O-N 3.32Å; M88-I93 HydrophobicContact CB-CB 4.49Å; M88-I93 HydrophobicContact CE-CB 4.41Å; M88-I93 HydrophobicContact CE-CG2 4.04Å; M88-I93 WeakPolarHBondContact CE-O 3.38Å; M88-I93 HydrophobicContact CG-CB 4.49Å; M88-I93 PolarHBondContact O-N 2.78Å; M88-Y95 HydrophobicContact CE-CD1 3.57Å; M88-Y95 HydrophobicContact CE-CE1 3.68Å; M88-Y95 HydrophobicContact CE-CG 4.06Å; M88-Y95 HydrophobicContact SD-CD1 4Å; M88-Y95 HydrophobicContact SD-CE1 3.51Å; M88-Y95 VanDerWaalsContact SD-CE1 3.51Å; M88-I137 HydrophobicContact CE-CG1 4.48Å; M88-I137 HydrophobicContact CG-CD1 4.47Å; M88-I137 HydrophobicContact SD-CB 4.48Å; M88-I137 HydrophobicContact SD-CD1 3.24Å; M88-I137 WeakPolarHBondContact SD-CD1 3.5Å; M88-I137 HydrophobicContact SD-CG1 3.65Å; M88-C140 HydrophobicContact CG-CB 3.64Å
89A94.1Very high97.3Very high81 Ų8156.5 Ų56.567%0.66932%0.321SS*.Hα-helixtrans-63.4-45.7177.800000112K86 A87 L91 K92K86-A89 PolarHBondContact O-N 3.07Å; A87-A89 VanDerWaalsContact C-N 3.27Å; A87-A89 PolarHBondContact O-N 3Å; A89-L91 PolarHBondContact O-N 3.33Å; A89-K92 PolarHBondContact O-N 3.4Å
90S94Very high97.3Very high101 Ų10153.4 Ų53.471%0.70631%0.306SS*.Hα-helixtrans-65.2-38.5178.5-58.40000112.5A87 K92A87-S90 PolarHBondContact O-N 3.39Å; A87-S90 VanDerWaalsContact O-N 3.15Å; S90-K92 VanDerWaalsContact C-N 3.31Å
91L96.9Very high97.2Very high32 Ų3256.3 Ų56.317%0.16832%0.323CS..Hα-helixtrans-86.2-2.5-179.2-61.8-175.3000113.5A87 M88 A89 I93 R143 E146 Y147A87-L91 WeakPolarHBondContact O-CB 3.5Å; A87-L91 WeakPolarHBondContact O-CG 3.44Å; A87-L91 PolarHBondContact O-N 3.49Å; M88-L91 PolarHBondContact O-N 3.08Å; A89-L91 PolarHBondContact O-N 3.33Å; L91-I93 VanDerWaalsContact C-N 3.3Å; L91-I93 HydrophobicContact CB-CD1 3.81Å; L91-I93 HydrophobicContact CB-CG1 3.87Å; L91-I93 HydrophobicContact CD1-CD1 4.08Å; L91-I93 PolarHBondContact O-N 2.88Å; L91-R143 HydrophobicContact CD1-CB 4.11Å; L91-E146 HydrophobicContact CD1-CB 4.46Å; L91-E146 HydrophobicContact CD2-CB 4.09Å; L91-E146 VanDerWaalsContact CD2-OE2 3.24Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.47Å; L91-Y147 HydrophobicContact CD1-CD1 4.07Å; L91-Y147 HydrophobicContact CD1-CE1 4.05Å
92K97.2Very high97.1Very high185 Ų18560.8 Ų60.880%0.80435%0.347SS*.THydrogen-bonded Turntrans53.346.7-177-55.3179.7-178.4178.90112.1M88 A89 S90M88-K92 WeakPolarHBondContact O-CA 3.2Å; M88-K92 PolarHBondContact O-N 3.32Å; A89-K92 PolarHBondContact O-N 3.4Å; S90-K92 VanDerWaalsContact C-N 3.31Å
93I97.7Very high97.1Very high25 Ų2560.1 Ų60.113%0.12834%0.344CS..PPolyproline II helixtrans-99.7120.6175.9-57.6173.6000107.5M88 L91 C140M88-I93 HydrophobicContact CB-CB 4.49Å; M88-I93 HydrophobicContact CE-CB 4.41Å; M88-I93 HydrophobicContact CE-CG2 4.04Å; M88-I93 WeakPolarHBondContact CE-O 3.38Å; M88-I93 HydrophobicContact CG-CB 4.49Å; M88-I93 PolarHBondContact O-N 2.78Å; L91-I93 VanDerWaalsContact C-N 3.3Å; L91-I93 HydrophobicContact CB-CD1 3.81Å; L91-I93 HydrophobicContact CB-CG1 3.87Å; L91-I93 HydrophobicContact CD1-CD1 4.08Å; L91-I93 PolarHBondContact O-N 2.88Å; I93-C140 HydrophobicContact CD1-CB 3.78Å
94D97.6Very high97.1Very high139 Ų13959.1 Ų59.174%0.74334%0.336SS*.PPolyproline II helixtrans-79.4152.2175.5-62.7-45.1000111.1
95Y98.1Very high97Very high52 Ų5265.2 Ų65.220%0.20436%0.364CS..PPolyproline II helixtrans-65144.6166.7-60.6-75.2000110M88 D97 R100 A104 L131 I137M88-Y95 HydrophobicContact CE-CD1 3.57Å; M88-Y95 HydrophobicContact CE-CE1 3.68Å; M88-Y95 HydrophobicContact CE-CG 4.06Å; M88-Y95 HydrophobicContact SD-CD1 4Å; M88-Y95 HydrophobicContact SD-CE1 3.51Å; M88-Y95 VanDerWaalsContact SD-CE1 3.51Å; Y95-D97 WeakPolarHBondContact CB-O 3.39Å; Y95-R100 HydrophobicContact CD1-CB 3.51Å; Y95-R100 HydrophobicContact CD1-CG 4.24Å; Y95-R100 HydrophobicContact CD2-CB 4.4Å; Y95-R100 HydrophobicContact CE1-CB 4.12Å; Y95-R100 HydrophobicContact CG-CB 3.68Å; Y95-A104 WeakPolarHBondContact OH-CB 3.47Å; Y95-L131 HydrophobicContact CE1-CD2 4.25Å; Y95-I137 HydrophobicContact CD1-CG1 4.35Å; Y95-I137 HydrophobicContact CE1-CD1 4.15Å; Y95-I137 HydrophobicContact CE1-CG1 4.19Å
96S97.8Very high96.9Very high67 Ų6768.9 Ų68.947%0.46938%0.381SS..SBendtrans-75.7-36.7175.1-59.50000111.7D134 S135 G136S96-D134 WeakPolarHBondContact CA-OD2 3.36Å; S96-D134 WeakPolarHBondContact CB-OD2 3.33Å; S96-D134 PolarHBondContact N-OD1 2.75Å; S96-D134 PolarHBondContact N-OD2 3.2Å; S96-S135 WeakPolarHBondContact CB-OG 3.34Å; S96-S135 PolarHBondContact OG-OG 2.91Å; S96-G136 PolarHBondContact OG-N 3.07Å
97D97.3Very high97Very high64 Ų6462.9 Ų62.934%0.34236%0.355SS..SBendtrans-100.9116.1167169.517.9000110.2Y95 A99 R100 D134Y95-D97 WeakPolarHBondContact CB-O 3.39Å; D97-A99 PolarHBondContact O-N 3.01Å; D97-A99 VanDerWaalsContact O-N 3.09Å; D97-A99 VanDerWaalsContact OD1-CB 3.3Å; D97-A99 WeakPolarHBondContact OD1-CB 3.47Å; D97-A99 PolarHBondContact OD1-N 2.87Å; D97-R100 HydrophobicContact CB-CG 4.03Å; D97-R100 VanDerWaalsContact O-CB 3.29Å; D97-R100 WeakPolarHBondContact O-CB 3.49Å; D97-R100 VanDerWaalsContact O-CG 3.26Å; D97-R100 WeakPolarHBondContact O-CG 3.42Å; D97-R100 PolarHBondContact O-N 2.88Å; D97-R100 IonicContact OD2-CZ 3.7Å; D97-R100 IonicContact OD2-NE 2.75Å; D97-R100 PolarHBondContact OD2-NE 3.06Å; D97-R100 IonicContact OD2-NH2 3.5Å; D97-R100 PolarHBondContact OD2-NH2 2.81Å; D97-D134 PolarHBondContact N-OD2 2.99Å
98P95.3Very high96.9Very high102 Ų10266.2 Ų66.266%0.66237%0.368SS*.THydrogen-bonded Turntrans-55.6-27.7178.4-2735.4000114.4R100 T101P98-R100 PolarHBondContact O-N 3.12Å; P98-T101 WeakPolarHBondContact O-CB 3.15Å; P98-T101 PolarHBondContact O-N 3.28Å; P98-T101 VanDerWaalsContact O-N 3.13Å; P98-T101 PolarHBondContact O-OG1 3.3Å
99A95.8Very high96.8Very high44 Ų4470 Ų7036%0.36440%0.395SS..THydrogen-bonded Turntrans-63.9-21.3177.400000112.7D97 T101 D102D97-A99 PolarHBondContact O-N 3.01Å; D97-A99 VanDerWaalsContact O-N 3.09Å; D97-A99 VanDerWaalsContact OD1-CB 3.3Å; D97-A99 WeakPolarHBondContact OD1-CB 3.47Å; D97-A99 PolarHBondContact OD1-N 2.87Å; A99-T101 PolarHBondContact O-N 3.39Å; A99-T101 VanDerWaalsContact O-N 3.13Å; A99-D102 PolarHBondContact O-N 3.31Å
100R97.8Very high96.8Very high30 Ų3068.5 Ų68.511%0.11338%0.376CS..Hα-helixtrans-62.4-18.1174.6-59.8-52.9101.6-138.3-7.8113.1Y95 D97 P98 D102 D103 A104 R130 L131 D134Y95-R100 HydrophobicContact CD1-CB 3.51Å; Y95-R100 HydrophobicContact CD1-CG 4.24Å; Y95-R100 HydrophobicContact CD2-CB 4.4Å; Y95-R100 HydrophobicContact CE1-CB 4.12Å; Y95-R100 HydrophobicContact CG-CB 3.68Å; D97-R100 HydrophobicContact CB-CG 4.03Å; D97-R100 VanDerWaalsContact O-CB 3.29Å; D97-R100 WeakPolarHBondContact O-CB 3.49Å; D97-R100 VanDerWaalsContact O-CG 3.26Å; D97-R100 WeakPolarHBondContact O-CG 3.42Å; D97-R100 PolarHBondContact O-N 2.88Å; D97-R100 IonicContact OD2-CZ 3.7Å; D97-R100 IonicContact OD2-NE 2.75Å; D97-R100 PolarHBondContact OD2-NE 3.06Å; D97-R100 IonicContact OD2-NH2 3.5Å; D97-R100 PolarHBondContact OD2-NH2 2.81Å; P98-R100 PolarHBondContact O-N 3.12Å; R100-D102 VanDerWaalsContact C-N 3.3Å; R100-D102 PolarHBondContact O-N 3.27Å; R100-D103 IonicContact CZ-OD2 3.34Å; R100-D103 VanDerWaalsContact CZ-OD2 3.23Å; R100-D103 IonicContact NH1-OD1 3.72Å; R100-D103 IonicContact NH1-OD2 2.83Å; R100-D103 PolarHBondContact NH1-OD2 3Å; R100-D103 IonicContact NH2-OD2 2.89Å; R100-D103 PolarHBondContact O-N 3.44Å; R100-A104 WeakPolarHBondContact O-CB 3.45Å; R100-A104 PolarHBondContact O-N 3.49Å; R100-R130 VanDerWaalsContact NH1-CD 3.3Å; R100-L131 HydrophobicContact CB-CD2 4.05Å; R100-D134 HydrophobicContact CG-CB 3.92Å
101T96.8Very high96.9Very high63 Ų6363.7 Ų63.739%0.38734%0.342SS..Hα-helixtrans-58.8-43174.8-53.20000111.4P98 A99 A104 Q105P98-T101 WeakPolarHBondContact O-CB 3.15Å; P98-T101 PolarHBondContact O-N 3.28Å; P98-T101 VanDerWaalsContact O-N 3.13Å; P98-T101 PolarHBondContact O-OG1 3.3Å; A99-T101 PolarHBondContact O-N 3.39Å; A99-T101 VanDerWaalsContact O-N 3.13Å; T101-A104 PolarHBondContact O-N 2.84Å; T101-Q105 PolarHBondContact O-N 3.42Å
102D97.1Very high96.7Very high94 Ų9465.2 Ų65.250%0.50336%0.359SS..Hα-helixtrans-70.7-38.8178.9-66.3-21.9000110.8A99 R100 A104 Q105 Q106A99-D102 PolarHBondContact O-N 3.31Å; R100-D102 VanDerWaalsContact C-N 3.3Å; R100-D102 PolarHBondContact O-N 3.27Å; D102-A104 VanDerWaalsContact C-N 3.32Å; D102-A104 PolarHBondContact O-N 3.16Å; D102-Q105 PolarHBondContact O-N 3.36Å; D102-Q106 WeakPolarHBondContact O-CG 3.44Å; D102-Q106 PolarHBondContact O-N 3.2Å
103D98.1Very high96.5Very high11 Ų1158.6 Ų58.66%0.05934%0.339CS..Hα-helixtrans-62.1-38.2174.2-71.1-86.1000112.7R100 Q105 Q106 L107 V127 R130 L131R100-D103 IonicContact CZ-OD2 3.34Å; R100-D103 VanDerWaalsContact CZ-OD2 3.23Å; R100-D103 IonicContact NH1-OD1 3.72Å; R100-D103 IonicContact NH1-OD2 2.83Å; R100-D103 PolarHBondContact NH1-OD2 3Å; R100-D103 IonicContact NH2-OD2 2.89Å; R100-D103 PolarHBondContact O-N 3.44Å; D103-Q105 VanDerWaalsContact C-N 3.33Å; D103-Q105 PolarHBondContact O-N 3.31Å; D103-Q106 PolarHBondContact O-N 3.45Å; D103-L107 WeakPolarHBondContact O-CB 3.23Å; D103-L107 PolarHBondContact O-N 2.87Å; D103-V127 HydrophobicContact CB-CG1 4.1Å; D103-V127 WeakPolarHBondContact O-CG1 3.47Å; D103-R130 IonicContact OD1-CZ 2.8Å; D103-R130 IonicContact OD1-NE 3.55Å; D103-R130 PolarHBondContact OD1-NE 2.82Å; D103-R130 IonicContact OD1-NH2 3.76Å; D103-R130 PolarHBondContact OD1-NH2 3.3Å; D103-R130 IonicContact OD2-NE 3.52Å; D103-L131 HydrophobicContact CB-CD1 4.38Å; D103-L131 HydrophobicContact CB-CD2 3.86Å; D103-L131 HydrophobicContact CB-CG 3.96Å
104A97.3Very high96.3Very high8 Ų857.6 Ų57.67%0.06633%0.334CS..Hα-helixtrans-63.9-39.3175.200000111.7V85 Y95 R100 T101 D102 F108 L131V85-A104 HydrophobicContact CG1-CB 3.89Å; Y95-A104 WeakPolarHBondContact OH-CB 3.47Å; R100-A104 WeakPolarHBondContact O-CB 3.45Å; R100-A104 PolarHBondContact O-N 3.49Å; T101-A104 PolarHBondContact O-N 2.84Å; D102-A104 VanDerWaalsContact C-N 3.32Å; D102-A104 PolarHBondContact O-N 3.16Å; A104-F108 WeakPolarHBondContact O-CD2 3.38Å; A104-F108 PolarHBondContact O-N 3.44Å; A104-L131 HydrophobicContact CB-CD2 4.44Å
105Q96.5Very high96.1Very high127 Ų12754.3 Ų54.359%0.59331%0.314SS*.Hα-helixtrans-65.4-44.8173.7-66.3177.91500111.3T101 D102 D103 L107 F108 S109T101-Q105 PolarHBondContact O-N 3.42Å; D102-Q105 PolarHBondContact O-N 3.36Å; D103-Q105 VanDerWaalsContact C-N 3.33Å; D103-Q105 PolarHBondContact O-N 3.31Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.49Å; Q105-F108 PolarHBondContact O-N 2.87Å; Q105-S109 PolarHBondContact O-N 2.81Å; Q105-S109 VanDerWaalsContact O-N 3.07Å; Q105-S109 PolarHBondContact O-OG 2.99Å
106Q97.1Very high95.8Very high86 Ų8660.1 Ų60.140%0.40234%0.344SS..Hα-helixtrans-60.7-41.4176.9-72.5179.213.200112.2D102 D103 F108 S109 L110 V127D102-Q106 WeakPolarHBondContact O-CG 3.44Å; D102-Q106 PolarHBondContact O-N 3.2Å; D103-Q106 PolarHBondContact O-N 3.45Å; Q106-F108 VanDerWaalsContact C-N 3.34Å; Q106-F108 PolarHBondContact O-N 2.85Å; Q106-S109 WeakPolarHBondContact CA-OG 3.5Å; Q106-S109 PolarHBondContact O-N 3.09Å; Q106-S109 PolarHBondContact O-OG 2.88Å; Q106-L110 WeakPolarHBondContact O-CB 3.25Å; Q106-L110 WeakPolarHBondContact O-CG 3.28Å; Q106-L110 PolarHBondContact O-N 3.32Å; Q106-V127 HydrophobicContact CB-CG2 4.11Å
107L97.9Very high95.6Very high0 Ų063.2 Ų63.20%035%0.351CS..Hα-helixtrans-53.3-52175.3171.763.4000110.6I81 M82 V85 D103 Q105 S109 L110 A111 L124 V127 I128 L131I81-L107 HydrophobicContact CG1-CD2 4.1Å; I81-L107 HydrophobicContact CG2-CD1 3.93Å; I81-L107 HydrophobicContact CG2-CD2 4.05Å; M82-L107 HydrophobicContact CG-CD1 4.2Å; M82-L107 HydrophobicContact CG-CD2 4.01Å; M82-L107 HydrophobicContact CG-CG 4.01Å; V85-L107 HydrophobicContact CB-CD2 4.41Å; V85-L107 HydrophobicContact CG2-CD2 3.88Å; D103-L107 WeakPolarHBondContact O-CB 3.23Å; D103-L107 PolarHBondContact O-N 2.87Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.49Å; L107-S109 PolarHBondContact O-N 2.84Å; L107-L110 PolarHBondContact O-N 3.36Å; L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 2.82Å; L107-L124 HydrophobicContact CD1-CD1 3.75Å; L107-V127 HydrophobicContact CB-CG1 3.96Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L107-L131 HydrophobicContact CB-CD1 4.08Å; L107-L131 HydrophobicContact CD2-CD1 3.83Å; L107-L131 HydrophobicContact CG-CD1 4.49Å
108F96.1Very high95.4Very high76 Ų7661.2 Ų61.233%0.33335%0.345SS..Hα-helixtrans-67.5-34.4-179.2-70.8-63.1000113.1M82 V85 K86 A104 Q105 Q106M82-F108 HydrophobicContact CB-CE1 4Å; M82-F108 HydrophobicContact CE-CD1 3.54Å; M82-F108 HydrophobicContact CE-CE1 3.7Å; M82-F108 HydrophobicContact CG-CD1 4.36Å; M82-F108 HydrophobicContact CG-CE1 3.94Å; V85-F108 HydrophobicContact CB-CE2 4.42Å; V85-F108 HydrophobicContact CB-CZ 4.21Å; V85-F108 HydrophobicContact CG1-CE2 3.52Å; V85-F108 HydrophobicContact CG1-CZ 3.76Å; K86-F108 HydrophobicContact CD-CE1 4.41Å; K86-F108 HydrophobicContact CG-CE1 4.12Å; K86-F108 HydrophobicContact CG-CZ 3.78Å; A104-F108 WeakPolarHBondContact O-CD2 3.38Å; A104-F108 PolarHBondContact O-N 3.44Å; Q105-F108 PolarHBondContact O-N 2.87Å; Q106-F108 VanDerWaalsContact C-N 3.34Å; Q106-F108 PolarHBondContact O-N 2.85Å
109S95.7Very high95.4Very high83 Ų8359.8 Ų59.858%0.5833%0.331SS*.Hα-helixtrans-69.8-36.1177.661.40000113.2Q105 Q106 L107Q105-S109 PolarHBondContact O-N 2.81Å; Q105-S109 VanDerWaalsContact O-N 3.07Å; Q105-S109 PolarHBondContact O-OG 2.99Å; Q106-S109 WeakPolarHBondContact CA-OG 3.5Å; Q106-S109 PolarHBondContact O-N 3.09Å; Q106-S109 PolarHBondContact O-OG 2.88Å; L107-S109 PolarHBondContact O-N 2.84Å
110L95.7Very high95.5Very high50 Ų5058.3 Ų58.326%0.26232%0.317SS..Hα-helixtrans-88-30.4-175.9-65.8174.3000112.7Q106 L107 A112 A113 A114 L124Q106-L110 WeakPolarHBondContact O-CB 3.25Å; Q106-L110 WeakPolarHBondContact O-CG 3.28Å; Q106-L110 PolarHBondContact O-N 3.32Å; L107-L110 PolarHBondContact O-N 3.36Å; L110-A112 PolarHBondContact O-N 3.03Å; L110-A113 PolarHBondContact O-N 2.87Å; L110-A114 PolarHBondContact O-N 2.8Å; L110-A114 VanDerWaalsContact O-N 3.15Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.07Å; L110-L124 HydrophobicContact CB-CD2 4.47Å; L110-L124 HydrophobicContact CD1-CB 4.29Å
111A95.4Very high95.4Very high0 Ų058.7 Ų58.70%032%0.323CS..Hα-helixtrans-57.7-43.7-173.600000113.3I78 M82 L107 A113 A114 E115I78-A111 HydrophobicContact CG2-CB 3.61Å; M82-A111 HydrophobicContact CE-CB 3.88Å; M82-A111 HydrophobicContact CG-CB 4.49Å; M82-A111 HydrophobicContact SD-CB 3.53Å; M82-A111 VanDerWaalsContact SD-CB 3.53Å; L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 2.82Å; A111-A113 PolarHBondContact O-N 2.93Å; A111-A114 PolarHBondContact O-N 3.46Å; A111-E115 WeakPolarHBondContact O-CB 3.26Å; A111-E115 WeakPolarHBondContact O-CG 3.33Å; A111-E115 PolarHBondContact O-N 3.48Å
112A92.1Very high95.4Very high63 Ų6362.8 Ų62.852%0.52134%0.338SS..Hα-helixtrans-60.5-46.1-176.200000112.4L110 E115 E116L110-A112 PolarHBondContact O-N 3.03Å; A112-E115 PolarHBondContact O-N 3.06Å; A112-E116 PolarHBondContact O-N 2.87Å; A112-E116 VanDerWaalsContact O-N 3.08Å
113A93.3Very high95.4Very high47 Ų4762.3 Ų62.339%0.38834%0.336SS..Hα-helixtrans-68-39.5178.300000112L110 A111 E116 Q117L110-A113 PolarHBondContact O-N 2.87Å; A111-A113 PolarHBondContact O-N 2.93Å; A113-E116 PolarHBondContact O-N 3.49Å; A113-Q117 WeakPolarHBondContact O-CB 3.42Å; A113-Q117 WeakPolarHBondContact O-CG 3.35Å; A113-Q117 PolarHBondContact O-N 3.11Å
114A93.9Very high95.4Very high3 Ų361.9 Ų61.93%0.02533%0.333CS..Hα-helixtrans-64.2-41.4177.600000112.2I78 L110 A111 G118 I119 P121 L124I78-A114 HydrophobicContact CD1-CB 3.95Å; L110-A114 PolarHBondContact O-N 2.8Å; L110-A114 VanDerWaalsContact O-N 3.15Å; A111-A114 PolarHBondContact O-N 3.46Å; A114-G118 PolarHBondContact O-N 3.46Å; A114-I119 PolarHBondContact O-N 2.64Å; A114-I119 VanDerWaalsContact O-N 3.09Å; A114-P121 HydrophobicContact CB-CG 4.43Å; A114-L124 HydrophobicContact CB-CD2 3.51Å
115E92.4Very high95.4Very high70 Ų7061.5 Ų61.533%0.32733%0.33SS..Hα-helixtrans-65.7-44.4175.7-73.8-169.9130.100112.2I78 Q79 A111 A112 Q117 G118I78-E115 HydrophobicContact CG2-CG 4.39Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.19Å; Q79-E115 PolarHBondContact NE2-OE1 3.44Å; A111-E115 WeakPolarHBondContact O-CB 3.26Å; A111-E115 WeakPolarHBondContact O-CG 3.33Å; A111-E115 PolarHBondContact O-N 3.48Å; A112-E115 PolarHBondContact O-N 3.06Å; E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 2.95Å; E115-G118 PolarHBondContact O-N 2.8Å
116E92.2Very high95.5Very high175 Ų17557.5 Ų57.582%0.81831%0.313SS*.Hα-helixtrans-62.1-40.6178.4-175.6176.4-171.200111.9A112 A113 G118A112-E116 PolarHBondContact O-N 2.87Å; A112-E116 VanDerWaalsContact O-N 3.08Å; A113-E116 PolarHBondContact O-N 3.49Å; E116-G118 VanDerWaalsContact C-N 3.35Å
117Q93.7Very high95.6Very high132 Ų13253.5 Ų53.562%0.61729%0.294SS*.Hα-helixtrans-82.9-11.9179.5-67.4177.87.400113.3A113 E115 I119A113-Q117 WeakPolarHBondContact O-CB 3.42Å; A113-Q117 WeakPolarHBondContact O-CG 3.35Å; A113-Q117 PolarHBondContact O-N 3.11Å; E115-Q117 VanDerWaalsContact C-N 3.32Å; E115-Q117 PolarHBondContact O-N 2.95Å; Q117-I119 VanDerWaalsContact C-N 3.3Å; Q117-I119 HydrophobicContact CB-CD1 4.21Å; Q117-I119 HydrophobicContact CB-CG1 3.83Å; Q117-I119 PolarHBondContact O-N 3.21Å
118G93.9Very high95.6Very high22 Ų2253.5 Ų53.523%0.22729%0.294CS..THydrogen-bonded Turntrans6530.5-177.400000113.9A114 E115 E116A114-G118 PolarHBondContact O-N 3.46Å; E115-G118 PolarHBondContact O-N 2.8Å; E116-G118 VanDerWaalsContact C-N 3.35Å
119I95.8Very high95.7Very high72 Ų7254.8 Ų54.837%0.36930%0.297SS..  trans-120.4164.6-178.362.8170.1000111.5A114 Q117 P121A114-I119 PolarHBondContact O-N 2.64Å; A114-I119 VanDerWaalsContact O-N 3.09Å; Q117-I119 VanDerWaalsContact C-N 3.3Å; Q117-I119 HydrophobicContact CB-CD1 4.21Å; Q117-I119 HydrophobicContact CB-CG1 3.83Å; Q117-I119 PolarHBondContact O-N 3.21Å; I119-P121 HydrophobicContact CD1-CG 3.9Å; I119-P121 HydrophobicContact CG1-CG 4.06Å
120L97.4Very high95.9Very high13 Ų1355.7 Ų55.77%0.06829%0.287CS..  trans-121.893169.4-178.761.9000108.8Y74 I78 L124 A125 I128 L160 I163 A164Y74-L120 HydrophobicContact CD1-CB 3.73Å; Y74-L120 HydrophobicContact CD1-CD2 4.08Å; Y74-L120 HydrophobicContact CD2-CB 3.91Å; Y74-L120 HydrophobicContact CE1-CB 3.83Å; Y74-L120 HydrophobicContact CE1-CD2 4.16Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.74Å; I78-L120 HydrophobicContact CD1-CD1 4.19Å; I78-L120 HydrophobicContact CG1-CD1 4.17Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.05Å; L120-A125 HydrophobicContact CD2-CB 4.4Å; L120-A125 HydrophobicContact CG-CB 4.22Å; L120-I128 HydrophobicContact CD1-CD1 4.19Å; L120-L160 HydrophobicContact CD2-CD1 4.05Å; L120-I163 HydrophobicContact CD2-CG2 4.06Å; L120-A164 HydrophobicContact CD2-CB 4.1Å
121P96.1Very high96Very high38 Ų3853.3 Ų53.325%0.24728%0.275CS..  trans-61.1150.6177.5-27.539.7000112.6A114 I119 D123 L124 A125A114-P121 HydrophobicContact CB-CG 4.43Å; I119-P121 HydrophobicContact CD1-CG 3.9Å; I119-P121 HydrophobicContact CG1-CG 4.06Å; P121-D123 WeakPolarHBondContact CB-OD1 3.42Å; P121-D123 PolarHBondContact O-N 3.14Å; P121-L124 HydrophobicContact CB-CB 4.33Å; P121-L124 PolarHBondContact O-N 3.3Å; P121-A125 PolarHBondContact O-N 3.22Å
122E96.1Very high96.1Very high149 Ų14954.4 Ų54.470%0.69628%0.279SS*.Hα-helixtrans-64.6-39.1-176.6-173.3-178.3172.100112.6A125 N126E122-A125 PolarHBondContact O-N 3.01Å; E122-N126 WeakPolarHBondContact O-CB 3.5Å; E122-N126 PolarHBondContact O-N 3Å; E122-N126 PolarHBondContact O-ND2 2.89Å; E122-N126 VanDerWaalsContact O-ND2 3.11Å
123D96.5Very high96.4Very high84 Ų8455.3 Ų55.345%0.44929%0.287SS..Hα-helixtrans-59.8-46.6174.359.5-23.6000111.5P121 N126 V127P121-D123 WeakPolarHBondContact CB-OD1 3.42Å; P121-D123 PolarHBondContact O-N 3.14Å; D123-N126 PolarHBondContact O-N 3.23Å; D123-V127 WeakPolarHBondContact O-CG2 3.39Å; D123-V127 PolarHBondContact O-N 3.47Å
124L98.1Very high96.7Very high1 Ų153.5 Ų53.51%0.00527%0.271CS..Hα-helixtrans-63.2-45.6174.2178.855.1000111.5I78 L107 L110 A114 L120 P121 N126 V127 I128I78-L124 HydrophobicContact CD1-CD2 3.86Å; I78-L124 HydrophobicContact CG1-CD2 4.14Å; L107-L124 HydrophobicContact CD1-CD1 3.75Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.07Å; L110-L124 HydrophobicContact CB-CD2 4.47Å; L110-L124 HydrophobicContact CD1-CB 4.29Å; A114-L124 HydrophobicContact CB-CD2 3.51Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.05Å; P121-L124 HydrophobicContact CB-CB 4.33Å; P121-L124 PolarHBondContact O-N 3.3Å; L124-N126 VanDerWaalsContact C-N 3.27Å; L124-N126 PolarHBondContact O-N 3.49Å; L124-V127 WeakPolarHBondContact O-CB 3.13Å; L124-V127 PolarHBondContact O-N 2.87Å; L124-V127 VanDerWaalsContact O-N 3.17Å; L124-I128 HydrophobicContact CD1-CD1 4.08Å; L124-I128 HydrophobicContact CD1-CG1 4.1Å; L124-I128 HydrophobicContact CG-CD1 4.04Å; L124-I128 HydrophobicContact CG-CG1 4.47Å; L124-I128 VanDerWaalsContact O-CG1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.26Å; L124-I128 PolarHBondContact O-N 3.32Å
125A98.2Very high96.9Very high1 Ų157 Ų571%0.00830%0.295CS..Hα-helixtrans-59.4-38.9176.600000112L120 P121 E122 I128 R129 L160 A164L120-A125 HydrophobicContact CD2-CB 4.4Å; L120-A125 HydrophobicContact CG-CB 4.22Å; P121-A125 PolarHBondContact O-N 3.22Å; E122-A125 PolarHBondContact O-N 3.01Å; A125-I128 PolarHBondContact O-N 3.07Å; A125-R129 WeakPolarHBondContact O-CB 3.17Å; A125-R129 PolarHBondContact O-N 3.22Å; A125-L160 WeakPolarHBondContact O-CD2 3.33Å; A125-A164 HydrophobicContact CB-CB 3.57Å
126N98.2Very high97.2Very high43 Ų4353.9 Ų53.923%0.2328%0.281CS..Hα-helixtrans-65.3-41.4176.2-71.1-29000111.9E122 D123 L124 R129 R130E122-N126 WeakPolarHBondContact O-CB 3.5Å; E122-N126 PolarHBondContact O-N 3Å; E122-N126 PolarHBondContact O-ND2 2.89Å; E122-N126 VanDerWaalsContact O-ND2 3.11Å; D123-N126 PolarHBondContact O-N 3.23Å; L124-N126 VanDerWaalsContact C-N 3.27Å; L124-N126 PolarHBondContact O-N 3.49Å; N126-R129 PolarHBondContact O-N 2.85Å; N126-R129 PolarHBondContact OD1-NH1 2.7Å; N126-R130 WeakPolarHBondContact O-CG 3.32Å; N126-R130 PolarHBondContact O-N 2.96Å; N126-R130 VanDerWaalsContact O-N 3.14Å
127V98.5Very high97.5Very high1 Ų145.5 Ų45.51%0.00624%0.242CC..Hα-helixtrans-59.3-51.7173.21670000110.7D103 Q106 L107 D123 L124 R129 R130 L131D103-V127 HydrophobicContact CB-CG1 4.1Å; D103-V127 WeakPolarHBondContact O-CG1 3.47Å; Q106-V127 HydrophobicContact CB-CG2 4.11Å; L107-V127 HydrophobicContact CB-CG1 3.96Å; D123-V127 WeakPolarHBondContact O-CG2 3.39Å; D123-V127 PolarHBondContact O-N 3.47Å; L124-V127 WeakPolarHBondContact O-CB 3.13Å; L124-V127 PolarHBondContact O-N 2.87Å; L124-V127 VanDerWaalsContact O-N 3.17Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 2.92Å; V127-R130 PolarHBondContact O-N 2.75Å; V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.5Å; V127-L131 WeakPolarHBondContact O-CG 3.4Å; V127-L131 PolarHBondContact O-N 2.96Å
128I98.6Very high97.7Very high0 Ų042.4 Ų42.40%023%0.228CC..Hα-helixtrans-59.4-42.1179.8-61.9175.7000110.5I78 I81 L107 L120 L124 A125 R130 L131 W132 L157 L160I78-I128 HydrophobicContact CG1-CD1 4.2Å; I81-I128 HydrophobicContact CB-CG2 4.19Å; I81-I128 HydrophobicContact CG1-CG2 4.19Å; I81-I128 HydrophobicContact CG2-CD1 4.02Å; I81-I128 HydrophobicContact CG2-CG1 3.94Å; I81-I128 HydrophobicContact CG2-CG2 4.02Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L120-I128 HydrophobicContact CD1-CD1 4.19Å; L124-I128 HydrophobicContact CD1-CD1 4.08Å; L124-I128 HydrophobicContact CD1-CG1 4.1Å; L124-I128 HydrophobicContact CG-CD1 4.04Å; L124-I128 HydrophobicContact CG-CG1 4.47Å; L124-I128 VanDerWaalsContact O-CG1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.26Å; L124-I128 PolarHBondContact O-N 3.32Å; A125-I128 PolarHBondContact O-N 3.07Å; I128-R130 PolarHBondContact O-N 2.98Å; I128-L131 PolarHBondContact O-N 3.02Å; I128-W132 WeakPolarHBondContact O-CB 3.47Å; I128-W132 PolarHBondContact O-N 2.58Å; I128-L157 HydrophobicContact CG2-CD2 3.7Å; I128-L160 HydrophobicContact CB-CD2 3.86Å; I128-L160 HydrophobicContact CG2-CD1 4.27Å; I128-L160 HydrophobicContact CG2-CD2 3.63Å
129R98.6Very high97.9Very high104 Ų10444 Ų4439%0.39224%0.235SC..Hα-helixtrans-59.2-47.6179-168.7-176.5-57.8111.25.1111.7A125 N126 V127 W132 A133 L160A125-R129 WeakPolarHBondContact O-CB 3.17Å; A125-R129 PolarHBondContact O-N 3.22Å; N126-R129 PolarHBondContact O-N 2.85Å; N126-R129 PolarHBondContact OD1-NH1 2.7Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 2.92Å; R129-W132 PolarHBondContact O-N 3.32Å; R129-A133 PolarHBondContact O-N 3.37Å; R129-A133 VanDerWaalsContact O-N 3.11Å; R129-L160 HydrophobicContact CB-CD2 3.84Å
130R98.6Very high98Very high101 Ų10140.6 Ų40.638%0.38122%0.218SC..Hα-helixtrans-70-37.1-179-60.7-178.1-69.1-94.72.9112.3R100 D103 N126 V127 I128 A133 D134R100-R130 VanDerWaalsContact NH1-CD 3.3Å; D103-R130 IonicContact OD1-CZ 2.8Å; D103-R130 IonicContact OD1-NE 3.55Å; D103-R130 PolarHBondContact OD1-NE 2.82Å; D103-R130 IonicContact OD1-NH2 3.76Å; D103-R130 PolarHBondContact OD1-NH2 3.3Å; D103-R130 IonicContact OD2-NE 3.52Å; N126-R130 WeakPolarHBondContact O-CG 3.32Å; N126-R130 PolarHBondContact O-N 2.96Å; N126-R130 VanDerWaalsContact O-N 3.14Å; V127-R130 PolarHBondContact O-N 2.75Å; I128-R130 PolarHBondContact O-N 2.98Å; R130-A133 PolarHBondContact O-N 3.33Å; R130-D134 PolarHBondContact O-N 2.92Å
131L98.6Very high98Very high0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-62.7-48.2173.1-72.3170.8000110.9I81 V85 Y95 R100 D103 A104 L107 V127 I128 A133 D134 I137I81-L131 HydrophobicContact CD1-CB 4.2Å; I81-L131 HydrophobicContact CG1-CB 4.43Å; I81-L131 HydrophobicContact CG1-CD1 4.46Å; V85-L131 HydrophobicContact CG2-CD1 4.32Å; Y95-L131 HydrophobicContact CE1-CD2 4.25Å; R100-L131 HydrophobicContact CB-CD2 4.05Å; D103-L131 HydrophobicContact CB-CD1 4.38Å; D103-L131 HydrophobicContact CB-CD2 3.86Å; D103-L131 HydrophobicContact CB-CG 3.96Å; A104-L131 HydrophobicContact CB-CD2 4.44Å; L107-L131 HydrophobicContact CB-CD1 4.08Å; L107-L131 HydrophobicContact CD2-CD1 3.83Å; L107-L131 HydrophobicContact CG-CD1 4.49Å; V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.5Å; V127-L131 WeakPolarHBondContact O-CG 3.4Å; V127-L131 PolarHBondContact O-N 2.96Å; I128-L131 PolarHBondContact O-N 3.02Å; L131-A133 PolarHBondContact O-N 3.13Å; L131-D134 WeakPolarHBondContact O-CB 3.29Å; L131-D134 PolarHBondContact O-N 2.85Å; L131-I137 VanDerWaalsContact O-CB 3.27Å; L131-I137 WeakPolarHBondContact O-CB 3.23Å; L131-I137 VanDerWaalsContact O-CG1 3.28Å; L131-I137 WeakPolarHBondContact O-CG1 3.48Å; L131-I137 WeakPolarHBondContact O-CG2 3.43Å
132W98.6Very high98Very high23 Ų2345 Ų459%0.08724%0.241CC..Hα-helixtrans-62.6-30.6-179.2-172.5-125.3000113I81 I84 I128 R129 D134 I137 Q138 F141 L157 N158I81-W132 HydrophobicContact CD1-CE3 4.41Å; I84-W132 HydrophobicContact CD1-CE3 4.46Å; I84-W132 HydrophobicContact CD1-CZ3 3.84Å; I128-W132 WeakPolarHBondContact O-CB 3.47Å; I128-W132 PolarHBondContact O-N 2.58Å; R129-W132 PolarHBondContact O-N 3.32Å; W132-D134 VanDerWaalsContact C-N 3.3Å; W132-D134 PolarHBondContact O-N 2.85Å; W132-I137 HydrophobicContact CE3-CG2 3.74Å; W132-I137 HydrophobicContact CZ3-CG2 4.15Å; W132-Q138 VanDerWaalsContact CE3-NE2 3.27Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.32Å; W132-Q138 PolarHBondContact O-NE2 3.37Å; W132-F141 HydrophobicContact CH2-CB 4.13Å; W132-F141 AromaticContact CH2-CD1 3.79Å; W132-F141 HydrophobicContact CH2-CD1 3.79Å; W132-F141 AromaticContact CH2-CD2 3.95Å; W132-F141 HydrophobicContact CH2-CD2 3.95Å; W132-F141 HydrophobicContact CH2-CE1 4.22Å; W132-F141 HydrophobicContact CH2-CE2 4.36Å; W132-F141 AromaticContact CH2-CG 3.66Å; W132-F141 HydrophobicContact CH2-CG 3.66Å; W132-F141 HydrophobicContact CZ3-CB 4.03Å; W132-F141 HydrophobicContact CZ3-CD2 4.24Å; W132-F141 HydrophobicContact CZ3-CG 4Å; W132-L157 HydrophobicContact CD2-CB 3.7Å; W132-L157 HydrophobicContact CD2-CD1 3.94Å; W132-L157 HydrophobicContact CD2-CG 4.36Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.66Å; W132-L157 HydrophobicContact CG-CB 3.91Å; W132-L157 HydrophobicContact CH2-CD1 4.12Å; W132-L157 HydrophobicContact CZ2-CB 4.06Å; W132-L157 HydrophobicContact CZ2-CD1 4.36Å; W132-L157 HydrophobicContact CZ3-CD1 3.78Å; W132-N158 PolarHBondContact NE1-OD1 2.96Å
133A98.4Very high98Very high82 Ų8241.9 Ų41.968%0.67822%0.223SC*.THydrogen-bonded Turntrans-74-14.4175.400000114.5R129 R130 L131R129-A133 PolarHBondContact O-N 3.37Å; R129-A133 VanDerWaalsContact O-N 3.11Å; R130-A133 PolarHBondContact O-N 3.33Å; L131-A133 PolarHBondContact O-N 3.13Å
134D98.7Very high98Very high10 Ų1039.6 Ų39.65%0.05321%0.213CC..  trans-72132.8-179.2-177.2-95.2000111.7S96 D97 R100 R130 L131 W132 G136 I137 Q138S96-D134 WeakPolarHBondContact CA-OD2 3.36Å; S96-D134 WeakPolarHBondContact CB-OD2 3.33Å; S96-D134 PolarHBondContact N-OD1 2.75Å; S96-D134 PolarHBondContact N-OD2 3.2Å; D97-D134 PolarHBondContact N-OD2 2.99Å; R100-D134 HydrophobicContact CG-CB 3.92Å; R130-D134 PolarHBondContact O-N 2.92Å; L131-D134 WeakPolarHBondContact O-CB 3.29Å; L131-D134 PolarHBondContact O-N 2.85Å; W132-D134 VanDerWaalsContact C-N 3.3Å; W132-D134 PolarHBondContact O-N 2.85Å; D134-G136 VanDerWaalsContact C-N 3.27Å; D134-G136 PolarHBondContact O-N 3.01Å; D134-G136 WeakPolarHBondContact OD1-CA 3.46Å; D134-G136 PolarHBondContact OD1-N 3.08Å; D134-I137 HydrophobicContact CB-CB 4.23Å; D134-I137 HydrophobicContact CB-CG1 4.14Å; D134-I137 WeakPolarHBondContact O-CB 3.18Å; D134-I137 PolarHBondContact O-N 3.22Å; D134-I137 PolarHBondContact OD1-N 3.41Å; D134-Q138 PolarHBondContact O-N 3.32Å
135S98.4Very high97.7Very high76 Ų7644.4 Ų44.453%0.53123%0.231SC..Hα-helixtrans-68.3-23.6-179.139.70000113.9S96 S139S96-S135 WeakPolarHBondContact CB-OG 3.34Å; S96-S135 PolarHBondContact OG-OG 2.91Å; S135-S139 VanDerWaalsContact O-CB 3.31Å; S135-S139 WeakPolarHBondContact O-CB 3.35Å; S135-S139 PolarHBondContact O-N 2.75Å
136G98.3Very high97.6Very high4 Ų448.5 Ų48.54%0.04125%0.25CS..Hα-helixtrans-68.8-43.3171.800000111.2S96 D134 S139 C140S96-G136 PolarHBondContact OG-N 3.07Å; D134-G136 VanDerWaalsContact C-N 3.27Å; D134-G136 PolarHBondContact O-N 3.01Å; D134-G136 WeakPolarHBondContact OD1-CA 3.46Å; D134-G136 PolarHBondContact OD1-N 3.08Å; G136-S139 PolarHBondContact O-N 2.79Å; G136-C140 PolarHBondContact O-N 3.05Å
137I98.5Very high97.5Very high0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-60.7-46.6172-71.8-84.2000111I81 I84 V85 M88 Y95 L131 W132 D134 S139 C140 F141I81-I137 HydrophobicContact CD1-CD1 4.5Å; I81-I137 HydrophobicContact CD1-CG2 4.23Å; I84-I137 HydrophobicContact CG2-CD1 4.16Å; I84-I137 HydrophobicContact CG2-CG2 4.08Å; V85-I137 HydrophobicContact CG2-CD1 3.67Å; M88-I137 HydrophobicContact CE-CG1 4.48Å; M88-I137 HydrophobicContact CG-CD1 4.47Å; M88-I137 HydrophobicContact SD-CB 4.48Å; M88-I137 HydrophobicContact SD-CD1 3.24Å; M88-I137 WeakPolarHBondContact SD-CD1 3.5Å; M88-I137 HydrophobicContact SD-CG1 3.65Å; Y95-I137 HydrophobicContact CD1-CG1 4.35Å; Y95-I137 HydrophobicContact CE1-CD1 4.15Å; Y95-I137 HydrophobicContact CE1-CG1 4.19Å; L131-I137 VanDerWaalsContact O-CB 3.27Å; L131-I137 WeakPolarHBondContact O-CB 3.23Å; L131-I137 VanDerWaalsContact O-CG1 3.28Å; L131-I137 WeakPolarHBondContact O-CG1 3.48Å; L131-I137 WeakPolarHBondContact O-CG2 3.43Å; W132-I137 HydrophobicContact CE3-CG2 3.74Å; W132-I137 HydrophobicContact CZ3-CG2 4.15Å; D134-I137 HydrophobicContact CB-CB 4.23Å; D134-I137 HydrophobicContact CB-CG1 4.14Å; D134-I137 WeakPolarHBondContact O-CB 3.18Å; D134-I137 PolarHBondContact O-N 3.22Å; D134-I137 PolarHBondContact OD1-N 3.41Å; I137-S139 VanDerWaalsContact C-N 3.34Å; I137-S139 PolarHBondContact O-N 2.87Å; I137-C140 WeakPolarHBondContact O-CB 3.35Å; I137-C140 PolarHBondContact O-N 2.93Å; I137-C140 VanDerWaalsContact O-N 3.15Å; I137-F141 PolarHBondContact O-N 3.22Å
138Q98.4Very high97.4Very high66 Ų6651.3 Ų51.331%0.30826%0.261SS..Hα-helixtrans-61.1-42.1175.8-69.2-61.2-42.500111.8W132 D134 C140 F141 T142W132-Q138 VanDerWaalsContact CE3-NE2 3.27Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.32Å; W132-Q138 PolarHBondContact O-NE2 3.37Å; D134-Q138 PolarHBondContact O-N 3.32Å; Q138-C140 VanDerWaalsContact C-N 3.29Å; Q138-C140 PolarHBondContact O-N 3.39Å; Q138-F141 WeakPolarHBondContact O-CB 3.31Å; Q138-F141 PolarHBondContact O-N 3.06Å; Q138-T142 WeakPolarHBondContact O-CG2 3.43Å; Q138-T142 PolarHBondContact O-N 2.86Å
139S97.8Very high97.3Very high56 Ų5652.2 Ų52.239%0.39227%0.266SS..Hα-helixtrans-65.6-30.9175.3-173.50000113S135 G136 I137 T142S135-S139 VanDerWaalsContact O-CB 3.31Å; S135-S139 WeakPolarHBondContact O-CB 3.35Å; S135-S139 PolarHBondContact O-N 2.75Å; G136-S139 PolarHBondContact O-N 2.79Å; I137-S139 VanDerWaalsContact C-N 3.34Å; I137-S139 PolarHBondContact O-N 2.87Å; S139-T142 PolarHBondContact O-OG1 3.19Å
140C98.3Very high97Very high0 Ų048.5 Ų48.50%025%0.253CS..Hα-helixtrans-70.2-42.7172.5-171.40000110.7I84 M88 I93 G136 I137 Q138 T142 R143 S144 Y147I84-C140 HydrophobicContact CG2-CB 3.96Å; M88-C140 HydrophobicContact CG-CB 3.64Å; I93-C140 HydrophobicContact CD1-CB 3.78Å; G136-C140 PolarHBondContact O-N 3.05Å; I137-C140 WeakPolarHBondContact O-CB 3.35Å; I137-C140 PolarHBondContact O-N 2.93Å; I137-C140 VanDerWaalsContact O-N 3.15Å; Q138-C140 VanDerWaalsContact C-N 3.29Å; Q138-C140 PolarHBondContact O-N 3.39Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 2.88Å; C140-R143 CarbonylContact O-C 3.59Å; C140-R143 WeakPolarHBondContact O-CA 3.41Å; C140-R143 WeakPolarHBondContact O-CB 3.22Å; C140-R143 PolarHBondContact O-N 2.77Å; C140-S144 PolarHBondContact O-N 3.08Å; C140-Y147 PolarHBondContact O-OH 3.28Å; C140-Y147 VanDerWaalsContact O-OH 3.14Å
141F97.8Very high96.8Very high46 Ų4646.2 Ų46.220%0.20225%0.249CC..Hα-helixtrans-61.2-37.7178.4178.4-104.7000113.1I84 W132 I137 Q138 R143 S144 L149 A153 A154I84-F141 HydrophobicContact CD1-CD2 3.92Å; I84-F141 HydrophobicContact CG1-CD2 4.49Å; W132-F141 HydrophobicContact CH2-CB 4.13Å; W132-F141 AromaticContact CH2-CD1 3.79Å; W132-F141 HydrophobicContact CH2-CD1 3.79Å; W132-F141 AromaticContact CH2-CD2 3.95Å; W132-F141 HydrophobicContact CH2-CD2 3.95Å; W132-F141 HydrophobicContact CH2-CE1 4.22Å; W132-F141 HydrophobicContact CH2-CE2 4.36Å; W132-F141 AromaticContact CH2-CG 3.66Å; W132-F141 HydrophobicContact CH2-CG 3.66Å; W132-F141 HydrophobicContact CZ3-CB 4.03Å; W132-F141 HydrophobicContact CZ3-CD2 4.24Å; W132-F141 HydrophobicContact CZ3-CG 4Å; I137-F141 PolarHBondContact O-N 3.22Å; Q138-F141 WeakPolarHBondContact O-CB 3.31Å; Q138-F141 PolarHBondContact O-N 3.06Å; F141-R143 PolarHBondContact O-N 3.47Å; F141-S144 WeakPolarHBondContact O-CB 3.49Å; F141-S144 PolarHBondContact O-N 3.33Å; F141-S144 PolarHBondContact O-OG 2.99Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.54Å; F141-A153 HydrophobicContact CE2-CB 4.19Å; F141-A154 HydrophobicContact CE1-CB 4.08Å; F141-A154 HydrophobicContact CE2-CB 4.42Å; F141-A154 HydrophobicContact CZ-CB 3.63Å
142T95.6Very high96.7Very high97 Ų9746.8 Ų46.860%0.59525%0.253SS*.Hα-helixtrans-64.9-21.5174.460.10000113.1Q138 S139 C140Q138-T142 WeakPolarHBondContact O-CG2 3.43Å; Q138-T142 PolarHBondContact O-N 2.86Å; S139-T142 PolarHBondContact O-OG1 3.19Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 2.88Å
143R95.9Very high96.6Very high84 Ų8445.7 Ų45.732%0.31725%0.249SC..THydrogen-bonded Turntrans-9617.7173.3-64.7176.965.4-169.2-1.2113L91 C140 F141 R145 E146L91-R143 HydrophobicContact CD1-CB 4.11Å; C140-R143 CarbonylContact O-C 3.59Å; C140-R143 WeakPolarHBondContact O-CA 3.41Å; C140-R143 WeakPolarHBondContact O-CB 3.22Å; C140-R143 PolarHBondContact O-N 2.77Å; F141-R143 PolarHBondContact O-N 3.47Å; R143-R145 PolarHBondContact O-N 2.97Å; R143-E146 IonicContact CZ-OE1 2.6Å; R143-E146 IonicContact CZ-OE2 3.04Å; R143-E146 IonicContact NE-OE1 3.29Å; R143-E146 PolarHBondContact NE-OE1 2.73Å; R143-E146 IonicContact NE-OE2 3.53Å; R143-E146 IonicContact NH2-OE1 3.32Å; R143-E146 PolarHBondContact NH2-OE1 3.45Å; R143-E146 IonicContact NH2-OE2 2.7Å; R143-E146 PolarHBondContact NH2-OE2 3.45Å; R143-E146 WeakPolarHBondContact O-CB 3.45Å; R143-E146 PolarHBondContact O-N 2.88Å
144S95.4Very high96.6Very high36 Ų3643 Ų4325%0.25223%0.227SC..G310 helixtrans-56.7-14.1-178.7500000115.6C140 F141 E146C140-S144 PolarHBondContact O-N 3.08Å; F141-S144 WeakPolarHBondContact O-CB 3.49Å; F141-S144 PolarHBondContact O-N 3.33Å; F141-S144 PolarHBondContact O-OG 2.99Å; S144-E146 PolarHBondContact O-N 3.17Å
145R93.5Very high96.5Very high102 Ų10244.7 Ų44.739%0.38523%0.233SC..G310 helixtrans-67-21.6170.672.5175.6-172.5171.36.1114.1R143 Y147 D232 L233 S282R143-R145 PolarHBondContact O-N 2.97Å; R145-Y147 VanDerWaalsContact C-N 3.29Å; R145-D232 WeakPolarHBondContact CD-OD2 3.44Å; R145-L233 HydrophobicContact CB-CD2 3.76Å; R145-S282 PolarHBondContact NH1-OG 2.86Å
146E95.1Very high96.5Very high87 Ų8741.1 Ų41.141%0.40721%0.207SC..G310 helixtrans-84.7-2.8-175.6-61.2178-135.900112.8L91 R143 S144L91-E146 HydrophobicContact CD1-CB 4.46Å; L91-E146 HydrophobicContact CD2-CB 4.09Å; L91-E146 VanDerWaalsContact CD2-OE2 3.24Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.47Å; R143-E146 IonicContact CZ-OE1 2.6Å; R143-E146 IonicContact CZ-OE2 3.04Å; R143-E146 IonicContact NE-OE1 3.29Å; R143-E146 PolarHBondContact NE-OE1 2.73Å; R143-E146 IonicContact NE-OE2 3.53Å; R143-E146 IonicContact NH2-OE1 3.32Å; R143-E146 PolarHBondContact NH2-OE1 3.45Å; R143-E146 IonicContact NH2-OE2 2.7Å; R143-E146 PolarHBondContact NH2-OE2 3.45Å; R143-E146 WeakPolarHBondContact O-CB 3.45Å; R143-E146 PolarHBondContact O-N 2.88Å; S144-E146 PolarHBondContact O-N 3.17Å
147Y96.2Very high96.5Very high34 Ų3441.1 Ų41.113%0.13321%0.206CC..SBendtrans-150.4173.717858.2-87.2000111.1I84 A87 L91 C140 R145 L149I84-Y147 HydrophobicContact CG1-CE2 4.38Å; A87-Y147 HydrophobicContact CB-CD1 3.41Å; A87-Y147 VanDerWaalsContact CB-CD1 3.41Å; A87-Y147 HydrophobicContact CB-CD2 3.68Å; A87-Y147 HydrophobicContact CB-CE1 3.49Å; A87-Y147 VanDerWaalsContact CB-CE1 3.49Å; A87-Y147 HydrophobicContact CB-CE2 3.77Å; A87-Y147 HydrophobicContact CB-CG 3.49Å; A87-Y147 VanDerWaalsContact CB-CG 3.49Å; L91-Y147 HydrophobicContact CD1-CD1 4.07Å; L91-Y147 HydrophobicContact CD1-CE1 4.05Å; C140-Y147 PolarHBondContact O-OH 3.28Å; C140-Y147 VanDerWaalsContact O-OH 3.14Å; R145-Y147 VanDerWaalsContact C-N 3.29Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.93Å; Y147-L149 HydrophobicContact CE2-CD1 4.38Å; Y147-L149 HydrophobicContact CE2-CD2 4.13Å; Y147-L149 HydrophobicContact CE2-CG 4.38Å; Y147-L149 PolarHBondContact O-N 2.92Å
148Q95.7Very high96.5Very high69 Ų6946.2 Ų46.232%0.32223%0.234SC..  trans-85.6112.4-179-57.3-61.5-37.300110.1V234 A236Q148-V234 PolarHBondContact NE2-O 2.93Å; Q148-V234 VanDerWaalsContact NE2-O 3.15Å; Q148-A236 HydrophobicContact CG-CB 4.13Å
149L96.4Very high96.5Very high20 Ų2046 Ų4611%0.10524%0.235CC..  trans-131.8148.8177-171.461.7000111.1A83 I84 F141 Y147 A153A83-L149 HydrophobicContact CB-CD1 3.95Å; I84-L149 HydrophobicContact CD1-CD1 4.39Å; I84-L149 HydrophobicContact CD1-CD2 4.31Å; I84-L149 HydrophobicContact CG1-CD1 3.95Å; I84-L149 HydrophobicContact CG1-CD2 4.04Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.54Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.93Å; Y147-L149 HydrophobicContact CE2-CD1 4.38Å; Y147-L149 HydrophobicContact CE2-CD2 4.13Å; Y147-L149 HydrophobicContact CE2-CG 4.38Å; Y147-L149 PolarHBondContact O-N 2.92Å; L149-A153 HydrophobicContact CD1-CB 4.02Å; L149-A153 HydrophobicContact CD2-CB 4.09Å; L149-A153 HydrophobicContact CG-CB 3.98Å
150N92.8Very high96.5Very high25 Ų2543.6 Ų43.613%0.13422%0.217CC..  trans-75.2134.2173.8-171.811.7000110.8S152 A153 R179N150-S152 PolarHBondContact O-N 2.83Å; N150-S152 VanDerWaalsContact O-N 3.17Å; N150-A153 WeakPolarHBondContact O-CB 3.36Å; N150-A153 PolarHBondContact O-N 2.97Å; N150-R179 WeakPolarHBondContact OD1-CD 3.49Å
151D93.6Very high96.5Very high54 Ų5450.4 Ų50.429%0.28925%0.249SC..THydrogen-bonded Turntrans-59.1-30178.8-66.7-19.4000113.1A153 K271 L274D151-A153 PolarHBondContact O-N 2.81Å; D151-K271 WeakPolarHBondContact OD2-CD 3.39Å; D151-K271 VanDerWaalsContact OD2-CE 3.26Å; D151-K271 WeakPolarHBondContact OD2-CE 3.3Å; D151-K271 IonicContact OD2-NZ 3.8Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; D151-L274 HydrophobicContact CB-CD1 3.77Å
152S96.6Very high96.5Very high12 Ų1251.4 Ų51.48%0.08425%0.252CS..THydrogen-bonded Turntrans-792.6177.9-56.80000113.8N150 A154 Y155 Y156 R177N150-S152 PolarHBondContact O-N 2.83Å; N150-S152 VanDerWaalsContact O-N 3.17Å; S152-A154 PolarHBondContact O-N 3.01Å; S152-Y155 WeakPolarHBondContact O-CB 3.47Å; S152-Y155 PolarHBondContact O-N 3.32Å; S152-Y156 WeakPolarHBondContact O-CD2 3.16Å; S152-Y156 PolarHBondContact O-N 2.97Å; S152-Y156 VanDerWaalsContact O-N 3.16Å; S152-R177 WeakPolarHBondContact OG-CB 3.49Å; S152-R177 PolarHBondContact OG-O 2.73Å
153A97.7Very high96.6Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-55.1-53.1-175.500000112.5F141 L149 N150 D151 Y155 Y156 L157F141-A153 HydrophobicContact CE2-CB 4.19Å; L149-A153 HydrophobicContact CD1-CB 4.02Å; L149-A153 HydrophobicContact CD2-CB 4.09Å; L149-A153 HydrophobicContact CG-CB 3.98Å; N150-A153 WeakPolarHBondContact O-CB 3.36Å; N150-A153 PolarHBondContact O-N 2.97Å; D151-A153 PolarHBondContact O-N 2.81Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.35Å; A153-Y156 PolarHBondContact O-N 3.33Å; A153-L157 WeakPolarHBondContact O-CB 3.37Å; A153-L157 VanDerWaalsContact O-CG 3.25Å; A153-L157 WeakPolarHBondContact O-CG 3.39Å; A153-L157 PolarHBondContact O-N 3.37Å
154A97.3Very high96.7Very high25 Ų2544 Ų4421%0.20722%0.218CC..Hα-helixtrans-61.6-39.1179.300000112.4F141 S152 Y156 L157 N158F141-A154 HydrophobicContact CE1-CB 4.08Å; F141-A154 HydrophobicContact CE2-CB 4.42Å; F141-A154 HydrophobicContact CZ-CB 3.63Å; S152-A154 PolarHBondContact O-N 3.01Å; A154-Y156 PolarHBondContact O-N 3.25Å; A154-L157 PolarHBondContact O-N 3.5Å; A154-N158 WeakPolarHBondContact O-CB 3.44Å; A154-N158 PolarHBondContact O-N 3.14Å; A154-N158 PolarHBondContact O-ND2 3.21Å
155Y98.1Very high96.8Very high46 Ų4647.6 Ų47.618%0.1823%0.229CC..Hα-helixtrans-57.6-49.4178.3171.3-91.7000111.3S152 A153 D159 Q173 D174 R177S152-Y155 WeakPolarHBondContact O-CB 3.47Å; S152-Y155 PolarHBondContact O-N 3.32Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.35Å; Y155-D159 WeakPolarHBondContact O-CB 3.42Å; Y155-D159 PolarHBondContact O-N 3.44Å; Y155-Q173 HydrophobicContact CE2-CG 4.13Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.26Å; Y155-D174 VanDerWaalsContact CZ-OD1 3.3Å; Y155-D174 PolarHBondContact OH-OD1 3.12Å; Y155-R177 HydrophobicContact CD1-CB 4.37Å; Y155-R177 HydrophobicContact CD1-CG 4.49Å; Y155-R177 HydrophobicContact CE1-CB 4.44Å
156Y98.4Very high96.8Very high0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-72.5-40.5-179.9-66.3-53.9000113.2V73 N76 S152 A153 A154 D159 L160 I163 D174 R177 T178V73-Y156 HydrophobicContact CB-CE1 4.42Å; V73-Y156 HydrophobicContact CG1-CD1 3.83Å; V73-Y156 HydrophobicContact CG1-CE1 3.65Å; V73-Y156 HydrophobicContact CG2-CE1 4.2Å; N76-Y156 HydrophobicContact CB-CD2 4.29Å; N76-Y156 HydrophobicContact CB-CE2 3.98Å; S152-Y156 WeakPolarHBondContact O-CD2 3.16Å; S152-Y156 PolarHBondContact O-N 2.97Å; S152-Y156 VanDerWaalsContact O-N 3.16Å; A153-Y156 PolarHBondContact O-N 3.33Å; A154-Y156 PolarHBondContact O-N 3.25Å; Y156-D159 CarbonylContact O-C 3.59Å; Y156-D159 PolarHBondContact O-N 3.17Å; Y156-L160 PolarHBondContact O-N 3.44Å; Y156-L160 VanDerWaalsContact O-N 3.14Å; Y156-I163 HydrophobicContact CD1-CD1 3.77Å; Y156-I163 HydrophobicContact CG-CD1 4.42Å; Y156-I163 WeakPolarHBondContact O-CD1 3.48Å; Y156-D174 HydrophobicContact CE1-CB 4.49Å; Y156-D174 PolarHBondContact OH-O 3.45Å; Y156-R177 WeakPolarHBondContact OH-CB 3.43Å; Y156-R177 PolarHBondContact OH-O 3.16Å; Y156-T178 WeakPolarHBondContact OH-CA 3.49Å; Y156-T178 PolarHBondContact OH-N 3.43Å
157L98.5Very high96.8Very high4 Ų449.1 Ų49.12%0.02126%0.261CS..Hα-helixtrans-70.8-33.9-176.9-65.7170.4000112.3T77 I81 I84 I128 W132 A153 A154 L160T77-L157 HydrophobicContact CG2-CD2 4.09Å; I81-L157 HydrophobicContact CB-CD2 3.98Å; I84-L157 HydrophobicContact CD1-CD1 3.94Å; I128-L157 HydrophobicContact CG2-CD2 3.7Å; W132-L157 HydrophobicContact CD2-CB 3.7Å; W132-L157 HydrophobicContact CD2-CD1 3.94Å; W132-L157 HydrophobicContact CD2-CG 4.36Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.66Å; W132-L157 HydrophobicContact CG-CB 3.91Å; W132-L157 HydrophobicContact CH2-CD1 4.12Å; W132-L157 HydrophobicContact CZ2-CB 4.06Å; W132-L157 HydrophobicContact CZ2-CD1 4.36Å; W132-L157 HydrophobicContact CZ3-CD1 3.78Å; A153-L157 WeakPolarHBondContact O-CB 3.37Å; A153-L157 VanDerWaalsContact O-CG 3.25Å; A153-L157 WeakPolarHBondContact O-CG 3.39Å; A153-L157 PolarHBondContact O-N 3.37Å; A154-L157 PolarHBondContact O-N 3.5Å; L157-L160 WeakPolarHBondContact O-CB 3.39Å; L157-L160 PolarHBondContact O-N 3.25Å
158N98.3Very high96.9Very high108 Ų10848 Ų4858%0.57826%0.256SS*.Hα-helixtrans-69.6-33.2174.1-67.9-17.1000112.3W132 A154W132-N158 PolarHBondContact NE1-OD1 2.96Å; A154-N158 WeakPolarHBondContact O-CB 3.44Å; A154-N158 PolarHBondContact O-N 3.14Å; A154-N158 PolarHBondContact O-ND2 3.21Å
159D98Very high97Very high61 Ų6147.7 Ų47.733%0.32626%0.256SS..THydrogen-bonded Turntrans-93.814.7178.9-86.8-3.8000113.8Y155 Y156 E161 R162 I163Y155-D159 WeakPolarHBondContact O-CB 3.42Å; Y155-D159 PolarHBondContact O-N 3.44Å; Y156-D159 CarbonylContact O-C 3.59Å; Y156-D159 PolarHBondContact O-N 3.17Å; D159-E161 PolarHBondContact O-N 3.03Å; D159-R162 WeakPolarHBondContact O-CB 3.34Å; D159-R162 PolarHBondContact O-N 3.2Å; D159-R162 IonicContact OD2-CZ 2.62Å; D159-R162 IonicContact OD2-NE 3.69Å; D159-R162 PolarHBondContact OD2-NE 2.74Å; D159-R162 IonicContact OD2-NH2 3.44Å; D159-R162 PolarHBondContact OD2-NH2 3.07Å; D159-I163 HydrophobicContact CB-CD1 4.09Å; D159-I163 WeakPolarHBondContact O-CG1 3.2Å; D159-I163 PolarHBondContact O-N 3.07Å; D159-I163 VanDerWaalsContact O-N 3.11Å
160L98.3Very high97.1Very high5 Ų546.9 Ų46.93%0.02625%0.252CS..Hα-helixtrans-54.3-35.4-173-17966.7000113.1T77 L120 A125 I128 R129 Y156 L157 R162 I163 A164T77-L160 HydrophobicContact CG2-CD1 3.96Å; L120-L160 HydrophobicContact CD2-CD1 4.05Å; A125-L160 WeakPolarHBondContact O-CD2 3.33Å; I128-L160 HydrophobicContact CB-CD2 3.86Å; I128-L160 HydrophobicContact CG2-CD1 4.27Å; I128-L160 HydrophobicContact CG2-CD2 3.63Å; R129-L160 HydrophobicContact CB-CD2 3.84Å; Y156-L160 PolarHBondContact O-N 3.44Å; Y156-L160 VanDerWaalsContact O-N 3.14Å; L157-L160 WeakPolarHBondContact O-CB 3.39Å; L157-L160 PolarHBondContact O-N 3.25Å; L160-R162 PolarHBondContact O-N 2.67Å; L160-I163 PolarHBondContact O-N 3.08Å; L160-A164 WeakPolarHBondContact O-CB 3.47Å; L160-A164 PolarHBondContact O-N 3.32Å
161E97.1Very high97.3Very high144 Ų14448.7 Ų48.767%0.67326%0.264SS*.Hα-helixtrans-62.3-40.4177.8-173.3177.7-179.500112.6D159 K165D159-E161 PolarHBondContact O-N 3.03Å; E161-K165 WeakPolarHBondContact O-CG 3.41Å
162R97.9Very high97.5Very high67 Ų6749.7 Ų49.725%0.25327%0.267SS..Hα-helixtrans-68.9-42.7175.5177.5-179.563.384.4-1110.9D159 L160 D174D159-R162 WeakPolarHBondContact O-CB 3.34Å; D159-R162 PolarHBondContact O-N 3.2Å; D159-R162 IonicContact OD2-CZ 2.62Å; D159-R162 IonicContact OD2-NE 3.69Å; D159-R162 PolarHBondContact OD2-NE 2.74Å; D159-R162 IonicContact OD2-NH2 3.44Å; D159-R162 PolarHBondContact OD2-NH2 3.07Å; L160-R162 PolarHBondContact O-N 2.67Å; R162-D174 IonicContact CZ-OD1 2.73Å; R162-D174 IonicContact CZ-OD2 2.97Å; R162-D174 IonicContact NH1-OD1 2.94Å; R162-D174 IonicContact NH1-OD2 2.75Å; R162-D174 PolarHBondContact NH1-OD2 3.1Å; R162-D174 IonicContact NH2-OD1 2.94Å; R162-D174 PolarHBondContact NH2-OD1 2.87Å; R162-D174 IonicContact NH2-OD2 2.61Å
163I98.1Very high97.5Very high0 Ų051.9 Ų51.90%028%0.276CS..Hα-helixtrans-69.2-36.3-175.5-66.5168.2000111.5V73 Y74 L120 Y156 D159 L160 K165 Y168V73-I163 HydrophobicContact CG1-CD1 4.34Å; V73-I163 HydrophobicContact CG1-CG2 4.1Å; Y74-I163 HydrophobicContact CD1-CG2 3.71Å; Y74-I163 HydrophobicContact CE1-CG2 3.54Å; Y74-I163 VanDerWaalsContact CE1-O 3.24Å; Y74-I163 WeakPolarHBondContact CE1-O 3.48Å; Y74-I163 PolarHBondContact OH-O 3.35Å; Y74-I163 VanDerWaalsContact OH-O 3.13Å; L120-I163 HydrophobicContact CD2-CG2 4.06Å; Y156-I163 HydrophobicContact CD1-CD1 3.77Å; Y156-I163 HydrophobicContact CG-CD1 4.42Å; Y156-I163 WeakPolarHBondContact O-CD1 3.48Å; D159-I163 HydrophobicContact CB-CD1 4.09Å; D159-I163 WeakPolarHBondContact O-CG1 3.2Å; D159-I163 PolarHBondContact O-N 3.07Å; D159-I163 VanDerWaalsContact O-N 3.11Å; L160-I163 PolarHBondContact O-N 3.08Å; I163-K165 VanDerWaalsContact C-N 3.27Å; I163-K165 PolarHBondContact O-N 3.12Å; I163-Y168 HydrophobicContact CB-CE1 4.46Å; I163-Y168 HydrophobicContact CG1-CE1 4.49Å; I163-Y168 HydrophobicContact CG1-CE2 4.4Å; I163-Y168 HydrophobicContact CG2-CD1 4.44Å; I163-Y168 HydrophobicContact CG2-CE1 4.08Å; I163-Y168 VanDerWaalsContact O-CD1 3.31Å; I163-Y168 WeakPolarHBondContact O-CD1 2.97Å
164A97.4Very high97.5Very high24 Ų2451.9 Ų51.920%0.19828%0.276CS..THydrogen-bonded Turntrans-77.3-4.4-177.500000114.7L120 A125 L160L120-A164 HydrophobicContact CD2-CB 4.1Å; A125-A164 HydrophobicContact CB-CB 3.57Å; L160-A164 WeakPolarHBondContact O-CB 3.47Å; L160-A164 PolarHBondContact O-N 3.32Å
165K97.3Very high97.5Very high112 Ų11250.7 Ų50.749%0.48727%0.266SS..SBendtrans-66.3145178.2-66.2-177.1177.8-179.40111.7R70 E161 I163 D167 Y168R70-K165 PolarHBondContact NH2-O 2.92Å; E161-K165 WeakPolarHBondContact O-CG 3.41Å; I163-K165 VanDerWaalsContact C-N 3.27Å; I163-K165 PolarHBondContact O-N 3.12Å; K165-D167 VanDerWaalsContact C-N 3.3Å; K165-D167 WeakPolarHBondContact CB-OD1 3.47Å; K165-D167 PolarHBondContact O-N 3.27Å; K165-Y168 WeakPolarHBondContact O-CB 3.3Å; K165-Y168 PolarHBondContact O-N 3.47Å; K165-Y168 VanDerWaalsContact O-N 3.12Å
166A93.9Very high97.5Very high94 Ų9448.6 Ų48.678%0.77726%0.258SS*.THydrogen-bonded Turntrans-62.8-37.7-18000000112.5R70 Y168R70-A166 PolarHBondContact NH1-O 3.49Å; R70-A166 VanDerWaalsContact NH1-O 3.16Å; R70-A166 PolarHBondContact NH2-O 2.75Å; A166-Y168 VanDerWaalsContact C-N 3.3Å; A166-Y168 PolarHBondContact O-N 3.11Å
167D95.8Very high97.4Very high128 Ų12851 Ų5168%0.68427%0.267SS*.THydrogen-bonded Turntrans-88.913.4177.365.6-24.2000113.3K165 I169K165-D167 VanDerWaalsContact C-N 3.3Å; K165-D167 WeakPolarHBondContact CB-OD1 3.47Å; K165-D167 PolarHBondContact O-N 3.27Å; D167-I169 PolarHBondContact O-N 2.86Å
168Y97.9Very high97.4Very high9 Ų951.1 Ų51.14%0.03527%0.268CS..  trans-58.4123.4178.9171.9-121.1000112R70 V73 Y74 I163 K165 A166 P170 D174R70-Y168 HydrophobicContact CG-CD1 4.12Å; R70-Y168 HydrophobicContact CG-CE1 4.37Å; R70-Y168 PolarHBondContact NE-O 3.46Å; R70-Y168 PolarHBondContact NH1-O 2.86Å; V73-Y168 HydrophobicContact CG1-CE1 4.22Å; Y74-Y168 AromaticContact CE1-CD1 3.64Å; Y74-Y168 HydrophobicContact CE1-CD1 3.64Å; Y74-Y168 AromaticContact CE1-CE1 3.89Å; Y74-Y168 HydrophobicContact CE1-CE1 3.89Å; Y74-Y168 AromaticContact CZ-CD1 3.86Å; I163-Y168 HydrophobicContact CB-CE1 4.46Å; I163-Y168 HydrophobicContact CG1-CE1 4.49Å; I163-Y168 HydrophobicContact CG1-CE2 4.4Å; I163-Y168 HydrophobicContact CG2-CD1 4.44Å; I163-Y168 HydrophobicContact CG2-CE1 4.08Å; I163-Y168 VanDerWaalsContact O-CD1 3.31Å; I163-Y168 WeakPolarHBondContact O-CD1 2.97Å; K165-Y168 WeakPolarHBondContact O-CB 3.3Å; K165-Y168 PolarHBondContact O-N 3.47Å; K165-Y168 VanDerWaalsContact O-N 3.12Å; A166-Y168 VanDerWaalsContact C-N 3.3Å; A166-Y168 PolarHBondContact O-N 3.11Å; Y168-P170 HydrophobicContact CE1-CG 3.88Å; Y168-P170 WeakPolarHBondContact OH-CA 3.31Å; Y168-D174 PolarHBondContact OH-OD2 3.31Å
169I97.7Very high97.2Very high63 Ų6350.3 Ų50.332%0.32326%0.257SS..  trans-116.7123.5168.5-60.3174000107.3E63 C66 K67 D167E63-I169 HydrophobicContact CG-CD1 3.95Å; E63-I169 HydrophobicContact CG-CG2 3.88Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å; C66-I169 HydrophobicContact CB-CG2 4.28Å; K67-I169 HydrophobicContact CG-CG1 4.47Å; K67-I169 HydrophobicContact CG-CG2 4.27Å; D167-I169 PolarHBondContact O-N 2.86Å
170P98.4Very high96.9Very high3 Ų351.7 Ų51.72%0.01927%0.268CS..  trans-55.6140.6175.3-2736.2000112.2C66 R70 V73 Y168 D174C66-P170 VanDerWaalsContact CB-O 3.23Å; C66-P170 WeakPolarHBondContact CB-O 3.24Å; C66-P170 WeakPolarHBondContact O-CD 3.45Å; C66-P170 VanDerWaalsContact O-CG 3.26Å; C66-P170 WeakPolarHBondContact O-CG 3.41Å; R70-P170 HydrophobicContact CB-CG 3.93Å; R70-P170 HydrophobicContact CG-CG 4.49Å; V73-P170 HydrophobicContact CG2-CB 4.47Å; V73-P170 HydrophobicContact CG2-CG 4.44Å; Y168-P170 HydrophobicContact CE1-CG 3.88Å; Y168-P170 WeakPolarHBondContact OH-CA 3.31Å; P170-D174 HydrophobicContact CB-CB 4.03Å
171T97.8Very high96.5Very high63 Ų6356.9 Ų56.939%0.38729%0.29SS..  trans-83.4165.2169.766.20000110.2Q173 D174 V175T171-Q173 PolarHBondContact O-N 2.92Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 3.33Å; T171-D174 WeakPolarHBondContact CB-OD2 3.32Å; T171-D174 PolarHBondContact N-OD2 3.25Å; T171-D174 WeakPolarHBondContact O-CA 3.23Å; T171-D174 WeakPolarHBondContact O-CB 3.48Å; T171-D174 PolarHBondContact O-N 3.38Å; T171-D174 PolarHBondContact OG1-N 2.88Å; T171-D174 PolarHBondContact OG1-OD2 3.28Å; T171-V175 WeakPolarHBondContact O-CG2 3.33Å; T171-V175 PolarHBondContact O-N 3.27Å
172Q96.6Very high96.2Very high75 Ų7551.6 Ų51.635%0.3527%0.267SS..Hα-helixtrans-56.8-31.5171.6-59.2-166.146.600112.2I55 V175 L176I55-Q172 HydrophobicContact CD1-CB 4.22Å; I55-Q172 VanDerWaalsContact CG1-OE1 3.31Å; Q172-V175 PolarHBondContact O-N 2.9Å; Q172-L176 WeakPolarHBondContact O-CG 3.46Å; Q172-L176 PolarHBondContact O-N 3.42Å
173Q97.1Very high95.8Very high59 Ų5952.9 Ų52.928%0.27628%0.283SS..Hα-helixtrans-69.4-36.2176.3-167.763.61.300112.2Y155 T171 R177 T328Y155-Q173 HydrophobicContact CE2-CG 4.13Å; T171-Q173 PolarHBondContact O-N 2.92Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 3.33Å; Q173-R177 WeakPolarHBondContact O-CB 3.4Å; Q173-R177 WeakPolarHBondContact O-CG 3.18Å; Q173-R177 PolarHBondContact O-N 3.39Å; Q173-T328 PolarHBondContact NE2-O 3.42Å; Q173-T328 VanDerWaalsContact NE2-O 3.15Å; Q173-T328 PolarHBondContact OE1-O 3.49Å
174D98.1Very high95.4Very high0 Ų053.7 Ų53.70%029%0.291CS..Hα-helixtrans-64.3-44.6171.8-58.1-48.7000110.4V73 Y155 Y156 R162 Y168 P170 T171 R177 T178V73-D174 HydrophobicContact CG2-CB 4.11Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.26Å; Y155-D174 VanDerWaalsContact CZ-OD1 3.3Å; Y155-D174 PolarHBondContact OH-OD1 3.12Å; Y156-D174 HydrophobicContact CE1-CB 4.49Å; Y156-D174 PolarHBondContact OH-O 3.45Å; R162-D174 IonicContact CZ-OD1 2.73Å; R162-D174 IonicContact CZ-OD2 2.97Å; R162-D174 IonicContact NH1-OD1 2.94Å; R162-D174 IonicContact NH1-OD2 2.75Å; R162-D174 PolarHBondContact NH1-OD2 3.1Å; R162-D174 IonicContact NH2-OD1 2.94Å; R162-D174 PolarHBondContact NH2-OD1 2.87Å; R162-D174 IonicContact NH2-OD2 2.61Å; Y168-D174 PolarHBondContact OH-OD2 3.31Å; P170-D174 HydrophobicContact CB-CB 4.03Å; T171-D174 WeakPolarHBondContact CB-OD2 3.32Å; T171-D174 PolarHBondContact N-OD2 3.25Å; T171-D174 WeakPolarHBondContact O-CA 3.23Å; T171-D174 WeakPolarHBondContact O-CB 3.48Å; T171-D174 PolarHBondContact O-N 3.38Å; T171-D174 PolarHBondContact OG1-N 2.88Å; T171-D174 PolarHBondContact OG1-OD2 3.28Å; D174-R177 PolarHBondContact O-N 3.13Å; D174-T178 WeakPolarHBondContact O-CG2 3.26Å; D174-T178 PolarHBondContact O-N 2.94Å; D174-T178 VanDerWaalsContact O-N 3.07Å
175V97.6Very high95.2Very high0 Ų055.8 Ų55.80%030%0.298CS..Hα-helixtrans-59.6-46.6177.2176.40000111.3K51 Y61 Y69 T171 Q172 R177 T178K51-V175 PolarHBondContact NZ-O 3.06Å; Y61-V175 HydrophobicContact CD1-CG1 4.14Å; Y61-V175 HydrophobicContact CD2-CG1 4.09Å; Y61-V175 HydrophobicContact CE1-CG1 3.96Å; Y61-V175 HydrophobicContact CE2-CG1 3.91Å; Y61-V175 HydrophobicContact CG-CG1 4.2Å; Y69-V175 HydrophobicContact CD1-CG1 4.16Å; Y69-V175 HydrophobicContact CD2-CB 4.38Å; Y69-V175 HydrophobicContact CD2-CG1 3.81Å; Y69-V175 HydrophobicContact CD2-CG2 3.68Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.69Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.43Å; Y69-V175 HydrophobicContact CG-CG1 4.05Å; Y69-V175 HydrophobicContact CG-CG2 3.87Å; T171-V175 WeakPolarHBondContact O-CG2 3.33Å; T171-V175 PolarHBondContact O-N 3.27Å; Q172-V175 PolarHBondContact O-N 2.9Å; V175-R177 PolarHBondContact O-N 3.17Å; V175-T178 PolarHBondContact O-N 2.9Å; V175-T178 PolarHBondContact O-OG1 3.04Å
176L96.8Very high94.9Very high1 Ų153.8 Ų53.81%0.00530%0.295CS..Hα-helixtrans-57.8-38.4177.1-78.4174.1000112.7T48 K51 Q52 I55 Q172T48-L176 HydrophobicContact CG2-CD2 4.22Å; K51-L176 HydrophobicContact CB-CD2 3.67Å; Q52-L176 HydrophobicContact CG-CD2 3.77Å; I55-L176 HydrophobicContact CD1-CD1 3.7Å; I55-L176 HydrophobicContact CD1-CD2 3.75Å; I55-L176 HydrophobicContact CD1-CG 3.68Å; Q172-L176 WeakPolarHBondContact O-CG 3.46Å; Q172-L176 PolarHBondContact O-N 3.42Å
177R97.2Very high94.9Very high50 Ų5053.4 Ų53.419%0.18928%0.277CS..Hα-helixtrans-84.3-10.3-176.9-72.4177.4178.3-94.5-1.4114.1S152 Y155 Y156 Q173 D174 V175 R179 T328S152-R177 WeakPolarHBondContact OG-CB 3.49Å; S152-R177 PolarHBondContact OG-O 2.73Å; Y155-R177 HydrophobicContact CD1-CB 4.37Å; Y155-R177 HydrophobicContact CD1-CG 4.49Å; Y155-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 WeakPolarHBondContact OH-CB 3.43Å; Y156-R177 PolarHBondContact OH-O 3.16Å; Q173-R177 WeakPolarHBondContact O-CB 3.4Å; Q173-R177 WeakPolarHBondContact O-CG 3.18Å; Q173-R177 PolarHBondContact O-N 3.39Å; D174-R177 PolarHBondContact O-N 3.13Å; V175-R177 PolarHBondContact O-N 3.17Å; R177-R179 PolarHBondContact O-N 3.23Å; R177-T328 HydrophobicContact CG-CG2 4.14Å; R177-T328 PolarHBondContact NH2-OG1 3.09Å
178T97Very high94.7Very high7 Ų748.6 Ų48.64%0.04325%0.253CS..  trans-64.613617757.50000110.7K51 Y69 V72 V73 N76 Y156 D174 V175K51-T178 PolarHBondContact NZ-O 3.24Å; K51-T178 PolarHBondContact NZ-OG1 3.45Å; Y69-T178 HydrophobicContact CD1-CG2 4.25Å; V72-T178 HydrophobicContact CB-CG2 4.28Å; V72-T178 HydrophobicContact CG1-CG2 3.92Å; V73-T178 HydrophobicContact CG2-CG2 3.59Å; N76-T178 WeakPolarHBondContact OD1-CA 3.09Å; Y156-T178 WeakPolarHBondContact OH-CA 3.49Å; Y156-T178 PolarHBondContact OH-N 3.43Å; D174-T178 WeakPolarHBondContact O-CG2 3.26Å; D174-T178 PolarHBondContact O-N 2.94Å; D174-T178 VanDerWaalsContact O-N 3.07Å; V175-T178 PolarHBondContact O-N 2.9Å; V175-T178 PolarHBondContact O-OG1 3.04Å
179R94.2Very high94.4Very high91 Ų9153 Ų5334%0.34327%0.273SS..  trans-108110.3177.1177.8178164.5152.7-0.2108.9E43 N76 N150 R177E43-R179 VanDerWaalsContact CD-NH2 3.34Å; E43-R179 IonicContact OE1-CZ 3.28Å; E43-R179 IonicContact OE1-NH1 2.94Å; E43-R179 PolarHBondContact OE1-NH1 2.94Å; E43-R179 IonicContact OE1-NH2 2.67Å; E43-R179 PolarHBondContact OE1-NH2 3.41Å; E43-R179 IonicContact OE2-CZ 2.71Å; E43-R179 IonicContact OE2-NH1 3.18Å; E43-R179 PolarHBondContact OE2-NH1 2.9Å; E43-R179 VanDerWaalsContact OE2-NH1 3.13Å; N76-R179 PolarHBondContact ND2-O 3.31Å; N76-R179 VanDerWaalsContact ND2-O 3.12Å; N76-R179 PolarHBondContact OD1-N 2.89Å; N76-R179 PolarHBondContact OD1-O 3.24Å; N150-R179 WeakPolarHBondContact OD1-CD 3.49Å; R177-R179 PolarHBondContact O-N 3.23Å
180V92.6Very high94.1Very high91 Ų9150.4 Ų50.455%0.55226%0.26SS*.  trans-120.1130.8167.4-177.40000106.6V72 T182V72-V180 HydrophobicContact CG1-CG2 3.6Å; V72-V180 HydrophobicContact CG2-CG2 4.43Å; V180-T182 PolarHBondContact O-N 3.33Å; V180-T182 VanDerWaalsContact O-N 3.1Å
181K90.9Very high93.5Very high114 Ų11453.8 Ų53.850%0.49628%0.28SS..  trans-67.8110.9176.7174.4176.8163.5165.70108.5T183K181-T183 HydrophobicContact CG-CG2 4.49Å; K181-T183 PolarHBondContact O-N 3.03Å
182T90Very high92.8Very high32 Ų3252.3 Ų52.320%0.19627%0.269CS..  trans-66.7121.3174.7-47.70000110.2S47 V180 V186S47-T182 PolarHBondContact OG-OG1 3.27Å; V180-T182 PolarHBondContact O-N 3.33Å; V180-T182 VanDerWaalsContact O-N 3.1Å; T182-V186 HydrophobicContact CG2-CG2 4.31Å
183T89.6Confident92.1Very high95 Ų9553.9 Ų53.958%0.58327%0.274SS*.  trans-115131173.156.10000109.6K181K181-T183 HydrophobicContact CG-CG2 4.49Å; K181-T183 PolarHBondContact O-N 3.03Å
184G89.8Confident91.4Very high16 Ų1658.7 Ų58.717%0.16530%0.297CS..SBendtrans80.1-148.3-176.500000113.6G203 E208G184-G203 PolarHBondContact O-N 2.9Å; G184-E208 PolarHBondContact N-OE2 3.39Å
185I92Very high90.7Very high69 Ų6959.7 Ų59.735%0.35430%0.302SS..EExtended strand (participates in β ladder)trans-122.5127.4-174.9-59.9155.1000106.8F200 V202 H214 C215I185-F200 HydrophobicContact CG2-CD1 4.13Å; I185-V202 HydrophobicContact CB-CG1 4.4Å; I185-V202 HydrophobicContact CG1-CG1 3.89Å; I185-V202 HydrophobicContact CG2-CG1 4.23Å; I185-H214 HydrophobicContact CD1-CB 4.08Å; I185-C215 WeakPolarHBondContact CD1-SG 3.42Å; I185-C215 VanDerWaalsContact CG2-SG 3.51Å
186V92.1Very high90.2Very high70 Ų7063.5 Ų63.542%0.42432%0.32SS..EExtended strand (participates in β ladder)trans-113.4125.6173.4-179.60000107.9T182 F200 D201T182-V186 HydrophobicContact CG2-CG2 4.31Å; V186-F200 WeakPolarHBondContact O-CA 3.03Å; V186-D201 PolarHBondContact N-O 3.31Å; V186-D201 PolarHBondContact O-N 2.89Å
187E93.1Very high89.9Confident85 Ų8563.7 Ų63.740%0.39732%0.321SS..EExtended strand (participates in β ladder)trans-100135.9175.3-170.4176.6169.100109.2H189 K198 M199 F200E187-H189 VanDerWaalsContact CD-NE2 3.3Å; E187-H189 WeakPolarHBondContact CG-NE2 3.39Å; E187-H189 IonicContact OE1-CE1 3.07Å; E187-H189 PolarHBondContact OE1-CE1 2.75Å; E187-H189 VanDerWaalsContact OE1-CE1 3.28Å; E187-H189 IonicContact OE1-NE2 3.76Å; E187-H189 PolarHBondContact OE1-NE2 3.03Å; E187-K198 WeakPolarHBondContact OE1-CD 3.29Å; E187-K198 WeakPolarHBondContact OE1-CE 3.44Å; E187-M199 CarbonylContact C-O 3.55Å; E187-M199 WeakPolarHBondContact CA-O 3.36Å; E187-F200 HydrophobicContact CB-CD1 4.21Å; E187-F200 HydrophobicContact CB-CE1 4.14Å; E187-F200 HydrophobicContact CG-CD1 4.09Å; E187-F200 HydrophobicContact CG-CE1 3.67Å; E187-F200 HydrophobicContact CG-CZ 4.17Å
188T91.6Very high89.6Confident28 Ų2863.4 Ų63.417%0.17232%0.321CS..EExtended strand (participates in β ladder)trans-131.3137.4176.3-58.50000109.2V50 M199V50-T188 HydrophobicContact CG1-CG2 4.13Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.04Å; T188-M199 PolarHBondContact N-O 3.28Å; T188-M199 PolarHBondContact O-N 2.81Å
189H92.1Very high89.5Confident101 Ų10163.1 Ų63.147%0.46832%0.319SS..EExtended strand (participates in β ladder)trans-118.9130-173.4-62.7-132.3000108.6E187 F197 K198E187-H189 VanDerWaalsContact CD-NE2 3.3Å; E187-H189 WeakPolarHBondContact CG-NE2 3.39Å; E187-H189 IonicContact OE1-CE1 3.07Å; E187-H189 PolarHBondContact OE1-CE1 2.75Å; E187-H189 VanDerWaalsContact OE1-CE1 3.28Å; E187-H189 IonicContact OE1-NE2 3.76Å; E187-H189 PolarHBondContact OE1-NE2 3.03Å; H189-F197 VanDerWaalsContact CA-O 3.31Å; H189-F197 WeakPolarHBondContact CA-O 3.45Å; H189-K198 VanDerWaalsContact CE1-CE 3.49Å; H189-K198 WeakPolarHBondContact CE1-CE 3.35Å
190F90.7Very high89.5Confident8 Ų860 Ų604%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-147.3162.5173.360.5-85.4000109.9M53 H57 E58 F192 F197 M199 F337M53-F190 HydrophobicContact CB-CD1 3.94Å; M53-F190 HydrophobicContact CB-CE1 3.81Å; M53-F190 HydrophobicContact CB-CG 4.44Å; M53-F190 HydrophobicContact CB-CZ 4.2Å; M53-F190 HydrophobicContact CG-CD1 4.4Å; M53-F190 HydrophobicContact CG-CE1 3.76Å; M53-F190 HydrophobicContact CG-CZ 3.91Å; M53-F190 HydrophobicContact SD-CE1 4.2Å; M53-F190 HydrophobicContact SD-CE2 4.19Å; M53-F190 HydrophobicContact SD-CZ 3.7Å; H57-F190 HydrophobicContact CB-CB 4.23Å; H57-F190 HydrophobicContact CB-CD2 3.75Å; H57-F190 HydrophobicContact CB-CG 4.29Å; H57-F190 AromaticContact CD2-CD2 3.77Å; H57-F190 AromaticContact CD2-CE2 3.67Å; H57-F190 AromaticContact CG-CD2 3.93Å; E58-F190 HydrophobicContact CG-CB 4.35Å; F190-F192 HydrophobicContact CD2-CB 4.35Å; F190-F192 HydrophobicContact CE2-CB 4.37Å; F190-F197 HydrophobicContact CD1-CB 3.98Å; F190-F197 HydrophobicContact CD2-CB 3.92Å; F190-F197 HydrophobicContact CD2-CD2 4.21Å; F190-F197 HydrophobicContact CD2-CG 4.26Å; F190-F197 HydrophobicContact CE1-CB 3.62Å; F190-F197 HydrophobicContact CE1-CG 4.4Å; F190-F197 HydrophobicContact CE2-CB 3.55Å; F190-F197 HydrophobicContact CE2-CD1 4.26Å; F190-F197 AromaticContact CE2-CD2 3.75Å; F190-F197 HydrophobicContact CE2-CD2 3.75Å; F190-F197 AromaticContact CE2-CG 3.59Å; F190-F197 HydrophobicContact CE2-CG 3.59Å; F190-F197 HydrophobicContact CG-CB 4.13Å; F190-F197 HydrophobicContact CZ-CB 3.39Å; F190-F197 HydrophobicContact CZ-CD1 4.06Å; F190-F197 HydrophobicContact CZ-CD2 4.32Å; F190-F197 AromaticContact CZ-CG 3.68Å; F190-F197 HydrophobicContact CZ-CG 3.68Å; F190-F197 PolarHBondContact N-O 3.49Å; F190-F197 VanDerWaalsContact N-O 3.14Å; F190-F197 PolarHBondContact O-N 2.73Å; F190-M199 HydrophobicContact CE1-CB 4.14Å; F190-M199 HydrophobicContact CE1-CE 4Å; F190-M199 HydrophobicContact CE1-SD 4.48Å; F190-M199 HydrophobicContact CZ-CE 4.04Å; F190-F337 AromaticContact CE2-CE1 3.87Å; F190-F337 HydrophobicContact CE2-CE1 3.87Å; F190-F337 AromaticContact CE2-CZ 3.87Å; F190-F337 HydrophobicContact CE2-CZ 3.87Å; F190-F337 HydrophobicContact CZ-CE1 4.1Å; F190-F337 HydrophobicContact CZ-CE2 4.39Å; F190-F337 AromaticContact CZ-CZ 3.62Å; F190-F337 HydrophobicContact CZ-CZ 3.62Å
191T86.7Confident89.6Confident74 Ų7456 Ų5645%0.45428%0.283SS..EExtended strand (participates in β ladder)trans-113.8131.2178.4-580000109.6L195 H196T191-L195 WeakPolarHBondContact CA-O 3.44Å; T191-H196 PolarHBondContact OG1-ND1 3.15Å; T191-H196 VanDerWaalsContact OG1-ND1 3.15Å
192F84.1Confident89.7Confident32 Ų3250.6 Ų50.614%0.1426%0.26CS..EExtended strand (participates in β ladder)trans-145.7131.1178.1179.1-122.6000110.6H57 F190 E194 L195 F197 F337 D338 T341H57-F192 AromaticContact CE1-CD2 3.33Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.44Å; H57-F192 AromaticContact CE1-CE2 3.58Å; H57-F192 AromaticContact CE1-CG 3.61Å; H57-F192 AromaticContact ND1-CD2 3.32Å; H57-F192 VanDerWaalsContact ND1-CD2 3.32Å; H57-F192 WeakPolarHBondContact ND1-CD2 3.08Å; H57-F192 AromaticContact ND1-CE2 3.9Å; H57-F192 AromaticContact ND1-CG 3.76Å; F190-F192 HydrophobicContact CD2-CB 4.35Å; F190-F192 HydrophobicContact CE2-CB 4.37Å; F192-E194 VanDerWaalsContact C-N 3.26Å; F192-E194 PolarHBondContact O-N 3.38Å; F192-L195 PolarHBondContact N-O 3.13Å; F192-L195 WeakPolarHBondContact O-CB 3.33Å; F192-L195 PolarHBondContact O-N 2.95Å; F192-F197 HydrophobicContact CB-CD2 4.06Å; F192-F197 HydrophobicContact CB-CE2 3.78Å; F192-F197 HydrophobicContact CD1-CE2 4.2Å; F192-F197 HydrophobicContact CD1-CZ 4.46Å; F192-F337 HydrophobicContact CD1-CD1 4.35Å; F192-F337 HydrophobicContact CD1-CE1 4.06Å; F192-F337 HydrophobicContact CE1-CD1 4.39Å; F192-D338 WeakPolarHBondContact CZ-OD1 3.47Å; F192-T341 HydrophobicContact CD1-CG2 3.83Å; F192-T341 HydrophobicContact CE1-CG2 3.59Å
193K81.8Confident89.9Confident108 Ų10849.1 Ų49.147%0.4725%0.251SS..THydrogen-bonded Turntrans47.345.4-174.5-60-172.3-176-176.30113.4L195 T341 D342K193-L195 PolarHBondContact O-N 3.46Å; K193-L195 VanDerWaalsContact O-N 3.13Å; K193-T341 HydrophobicContact CD-CG2 4.24Å; K193-D342 IonicContact NZ-OD1 2.59Å; K193-D342 PolarHBondContact NZ-OD1 2.96Å; K193-D342 IonicContact NZ-OD2 3.09Å
194E80.8Confident89.9Confident160 Ų16044.9 Ų44.975%0.74823%0.226SC*.THydrogen-bonded Turntrans63.98.2-177.7-51.7-177.717300115.7F192F192-E194 VanDerWaalsContact C-N 3.26Å; F192-E194 PolarHBondContact O-N 3.38Å
195L83.2Confident89.9Confident21 Ų2146.1 Ų46.111%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-100.4143174.4-62.6167.5000110.2R32 V34 T191 F192 K193 F197 I345R32-L195 HydrophobicContact CB-CD2 4.44Å; V34-L195 HydrophobicContact CG2-CB 4.38Å; V34-L195 HydrophobicContact CG2-CD1 4.42Å; T191-L195 WeakPolarHBondContact CA-O 3.44Å; F192-L195 PolarHBondContact N-O 3.13Å; F192-L195 WeakPolarHBondContact O-CB 3.33Å; F192-L195 PolarHBondContact O-N 2.95Å; K193-L195 PolarHBondContact O-N 3.46Å; K193-L195 VanDerWaalsContact O-N 3.13Å; L195-F197 HydrophobicContact CB-CD2 4.37Å; L195-F197 HydrophobicContact CB-CE2 3.87Å; L195-I345 HydrophobicContact CD1-CB 4.26Å; L195-I345 HydrophobicContact CD1-CD1 3.24Å; L195-I345 HydrophobicContact CD1-CG1 3.73Å; L195-I345 HydrophobicContact CD1-CG2 3.57Å
196H87.8Confident89.9Confident81 Ų8146.9 Ų46.938%0.37523%0.226SC..EExtended strand (participates in β ladder)trans-95.3114.7176.8-63.5-59.6000109R32 E33 V34 T191R32-H196 PolarHBondContact O-N 2.96Å; E33-H196 CarbonylContact C-O 3.53Å; E33-H196 WeakPolarHBondContact CA-O 3.38Å; V34-H196 PolarHBondContact N-O 3.32Å; T191-H196 PolarHBondContact OG1-ND1 3.15Å; T191-H196 VanDerWaalsContact OG1-ND1 3.15Å
197F90.4Very high89.8Confident5 Ų546.8 Ų46.82%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-94.4133.4178.3-74.1-96.5000110.5V34 L36 H189 F190 F192 L195 F337 T341 I345V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.87Å; V34-F197 HydrophobicContact CB-CG 4.34Å; V34-F197 HydrophobicContact CB-CZ 4.44Å; V34-F197 HydrophobicContact CG1-CD1 3.75Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG1-CZ 4.44Å; V34-F197 HydrophobicContact CG2-CE1 4.39Å; V34-F197 WeakPolarHBondContact O-CA 3.38Å; L36-F197 HydrophobicContact CD1-CD1 3.53Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 4Å; L36-F197 HydrophobicContact CG-CE1 4.4Å; H189-F197 VanDerWaalsContact CA-O 3.31Å; H189-F197 WeakPolarHBondContact CA-O 3.45Å; F190-F197 HydrophobicContact CD1-CB 3.98Å; F190-F197 HydrophobicContact CD2-CB 3.92Å; F190-F197 HydrophobicContact CD2-CD2 4.21Å; F190-F197 HydrophobicContact CD2-CG 4.26Å; F190-F197 HydrophobicContact CE1-CB 3.62Å; F190-F197 HydrophobicContact CE1-CG 4.4Å; F190-F197 HydrophobicContact CE2-CB 3.55Å; F190-F197 HydrophobicContact CE2-CD1 4.26Å; F190-F197 AromaticContact CE2-CD2 3.75Å; F190-F197 HydrophobicContact CE2-CD2 3.75Å; F190-F197 AromaticContact CE2-CG 3.59Å; F190-F197 HydrophobicContact CE2-CG 3.59Å; F190-F197 HydrophobicContact CG-CB 4.13Å; F190-F197 HydrophobicContact CZ-CB 3.39Å; F190-F197 HydrophobicContact CZ-CD1 4.06Å; F190-F197 HydrophobicContact CZ-CD2 4.32Å; F190-F197 AromaticContact CZ-CG 3.68Å; F190-F197 HydrophobicContact CZ-CG 3.68Å; F190-F197 PolarHBondContact N-O 3.49Å; F190-F197 VanDerWaalsContact N-O 3.14Å; F190-F197 PolarHBondContact O-N 2.73Å; F192-F197 HydrophobicContact CB-CD2 4.06Å; F192-F197 HydrophobicContact CB-CE2 3.78Å; F192-F197 HydrophobicContact CD1-CE2 4.2Å; F192-F197 HydrophobicContact CD1-CZ 4.46Å; L195-F197 HydrophobicContact CB-CD2 4.37Å; L195-F197 HydrophobicContact CB-CE2 3.87Å; F197-F337 HydrophobicContact CD1-CZ 4.13Å; F197-F337 HydrophobicContact CE1-CE1 4.36Å; F197-F337 AromaticContact CE1-CZ 3.92Å; F197-F337 HydrophobicContact CE1-CZ 3.92Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.36Å; F197-T341 HydrophobicContact CZ-CG2 4.35Å; F197-I345 HydrophobicContact CE1-CD1 4.39Å; F197-I345 HydrophobicContact CZ-CD1 3.67Å
198K92.3Very high89.7Confident44 Ų4443.7 Ų43.719%0.19121%0.214CC..EExtended strand (participates in β ladder)trans-113.2112.2164.2-77.3-177.7173.6160.60108.9E33 V34 K35 L36 E187 H189 F200E33-K198 VanDerWaalsContact CD-CE 3.42Å; E33-K198 HydrophobicContact CG-CD 4.06Å; E33-K198 HydrophobicContact CG-CG 4.27Å; E33-K198 WeakPolarHBondContact OE1-CD 3.27Å; E33-K198 WeakPolarHBondContact OE1-CE 3.47Å; E33-K198 IonicContact OE1-NZ 3.87Å; E33-K198 PolarHBondContact OE1-NZ 3.08Å; E33-K198 WeakPolarHBondContact OE2-CD 3.48Å; E33-K198 IonicContact OE2-NZ 3.6Å; E33-K198 PolarHBondContact OE2-NZ 3.43Å; V34-K198 PolarHBondContact O-N 3.49Å; K35-K198 CarbonylContact C-O 3.51Å; K35-K198 WeakPolarHBondContact CA-O 3.33Å; K35-K198 HydrophobicContact CG-CB 4.37Å; L36-K198 PolarHBondContact N-O 3.2Å; E187-K198 WeakPolarHBondContact OE1-CD 3.29Å; E187-K198 WeakPolarHBondContact OE1-CE 3.44Å; H189-K198 VanDerWaalsContact CE1-CE 3.49Å; H189-K198 WeakPolarHBondContact CE1-CE 3.35Å; K198-F200 HydrophobicContact CB-CE2 4.05Å; K198-F200 HydrophobicContact CB-CZ 4.29Å
199M93.1Very high89.7Confident0 Ų044.6 Ų44.60%021%0.214CC..EExtended strand (participates in β ladder)trans-106.5126.1-179.8-172.2171.1-76.700110.2L36 L38 V50 M53 E187 T188 F190 I223 F337L36-M199 HydrophobicContact CB-CE 4.31Å; L36-M199 HydrophobicContact CB-CG 4.47Å; L36-M199 HydrophobicContact CD1-CE 3.68Å; L36-M199 CarbonylContact O-C 3.59Å; L36-M199 WeakPolarHBondContact O-CA 3.45Å; L38-M199 HydrophobicContact CD1-CG 3.61Å; L38-M199 HydrophobicContact CD1-SD 3.56Å; L38-M199 VanDerWaalsContact CD1-SD 3.56Å; L38-M199 HydrophobicContact CG-CG 4.17Å; L38-M199 HydrophobicContact CG-SD 4.29Å; V50-M199 HydrophobicContact CG2-CG 4.25Å; V50-M199 HydrophobicContact CG2-SD 3.89Å; M53-M199 HydrophobicContact CG-CE 3.72Å; M53-M199 HydrophobicContact CG-SD 3.7Å; M53-M199 HydrophobicContact SD-CE 3.95Å; E187-M199 CarbonylContact C-O 3.55Å; E187-M199 WeakPolarHBondContact CA-O 3.36Å; T188-M199 PolarHBondContact N-O 3.28Å; T188-M199 PolarHBondContact O-N 2.81Å; F190-M199 HydrophobicContact CE1-CB 4.14Å; F190-M199 HydrophobicContact CE1-CE 4Å; F190-M199 HydrophobicContact CE1-SD 4.48Å; F190-M199 HydrophobicContact CZ-CE 4.04Å; M199-I223 HydrophobicContact CE-CD1 4.18Å; M199-F337 HydrophobicContact CE-CE2 3.93Å; M199-F337 HydrophobicContact CE-CZ 4.46Å
200F94.6Very high89.6Confident27 Ų2748.6 Ų48.612%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-105.7111.1179.5-60.5-85.7000110K35 L36 L37 L38 I185 V186 E187 K198K35-F200 HydrophobicContact CB-CE2 4.27Å; K35-F200 HydrophobicContact CD-CE2 4.44Å; K35-F200 HydrophobicContact CG-CE2 4.34Å; L36-F200 PolarHBondContact O-N 3.43Å; L37-F200 HydrophobicContact CD1-CB 3.8Å; L38-F200 WeakPolarHBondContact CB-O 3.02Å; L38-F200 PolarHBondContact N-O 3.05Å; I185-F200 HydrophobicContact CG2-CD1 4.13Å; V186-F200 WeakPolarHBondContact O-CA 3.03Å; E187-F200 HydrophobicContact CB-CD1 4.21Å; E187-F200 HydrophobicContact CB-CE1 4.14Å; E187-F200 HydrophobicContact CG-CD1 4.09Å; E187-F200 HydrophobicContact CG-CE1 3.67Å; E187-F200 HydrophobicContact CG-CZ 4.17Å; K198-F200 HydrophobicContact CB-CE2 4.05Å; K198-F200 HydrophobicContact CB-CZ 4.29Å
201D94.7Very high89.7Confident6 Ų652 Ų523%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-94.2121.2169.1-178.132.2000110.3L38 K46 S47 V50 V186L38-D201 HydrophobicContact CD1-CB 4.32Å; K46-D201 VanDerWaalsContact CB-OD1 3.27Å; K46-D201 WeakPolarHBondContact CB-OD1 3.16Å; S47-D201 WeakPolarHBondContact CA-OD2 3.14Å; S47-D201 VanDerWaalsContact CB-OD2 3.3Å; S47-D201 WeakPolarHBondContact CB-OD2 3.11Å; S47-D201 PolarHBondContact OG-OD2 3.22Å; V50-D201 HydrophobicContact CG2-CB 3.69Å; V186-D201 PolarHBondContact N-O 3.31Å; V186-D201 PolarHBondContact O-N 2.89Å
202V94.4Very high89.9Confident1 Ų148.8 Ų48.81%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-116.7145.7-178.7-60.30000110.8L37 L38 L39 K46 I185 G204 W212L37-V202 HydrophobicContact CD1-CG1 4.3Å; L38-V202 WeakPolarHBondContact O-CG2 3.21Å; L39-V202 HydrophobicContact CD2-CG2 3.65Å; K46-V202 WeakPolarHBondContact CE-O 3.34Å; I185-V202 HydrophobicContact CB-CG1 4.4Å; I185-V202 HydrophobicContact CG1-CG1 3.89Å; I185-V202 HydrophobicContact CG2-CG1 4.23Å; V202-G204 PolarHBondContact O-N 3.05Å; V202-W212 HydrophobicContact CB-CG 4.48Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.12Å; V202-W212 HydrophobicContact CG2-CG 4.01Å; V202-W212 HydrophobicContact CG2-CZ2 4.28Å; V202-W212 VanDerWaalsContact CG2-NE1 3.26Å
203G93.1Very high90Very high1 Ų151.1 Ų51.11%0.0124%0.238CC..  trans-54.7127.6176.200000112.3G184 E208 W212G184-G203 PolarHBondContact O-N 2.9Å; G203-E208 WeakPolarHBondContact O-CB 3.33Å; G203-W212 PolarHBondContact O-NE1 3.46Å
204G90.4Very high90.2Very high6 Ų652.9 Ų52.96%0.06225%0.248CC..  trans-84.5-16.5-175.800000116G40 G42 V202 R209G40-G204 WeakPolarHBondContact O-CA 3.33Å; G42-G204 PolarHBondContact N-O 3.25Å; V202-G204 PolarHBondContact O-N 3.05Å; G204-R209 PolarHBondContact O-NE 3.08Å; G204-R209 VanDerWaalsContact O-NE 3.14Å; G204-R209 PolarHBondContact O-NH2 3.15Å
205Q89.4Confident90.6Very high42 Ų4245.9 Ų45.920%0.19622%0.216CC..SBendtrans-71.5152.3-177.8-66-176.55.400111S207 E208 R209Q205-S207 PolarHBondContact O-N 3.3Å; Q205-S207 VanDerWaalsContact O-N 3.16Å; Q205-E208 PolarHBondContact O-N 3.19Å; Q205-R209 WeakPolarHBondContact O-CG 3.36Å; Q205-R209 PolarHBondContact O-N 3.45Å
206R91.3Very high90.8Very high85 Ų8545.7 Ų45.732%0.32121%0.214SC..G310 helixtrans-56.2-37.5-173.3-69.8179.6168.8168.1-1.9111.9E208 R209 E237 D238 E246R206-E208 VanDerWaalsContact C-N 3.25Å; R206-E208 PolarHBondContact O-N 3Å; R206-R209 PolarHBondContact O-N 2.66Å; R206-E237 WeakPolarHBondContact CB-OE1 2.98Å; R206-E237 PolarHBondContact N-OE1 3.31Å; R206-E237 PolarHBondContact N-OE2 3.27Å; R206-D238 IonicContact CZ-OD2 3.79Å; R206-D238 IonicContact NH1-OD2 2.94Å; R206-D238 PolarHBondContact NH1-OD2 3.25Å; R206-D238 IonicContact NH2-OD2 2.66Å; R206-E246 IonicContact CZ-OE1 3.65Å; R206-E246 IonicContact CZ-OE2 3.55Å; R206-E246 IonicContact NE-OE1 2.55Å; R206-E246 PolarHBondContact NE-OE1 3.46Å; R206-E246 VanDerWaalsContact NE-OE1 3.08Å; R206-E246 IonicContact NE-OE2 2.78Å; R206-E246 IonicContact NH2-OE1 3.23Å; R206-E246 IonicContact NH2-OE2 3.48Å; R206-E246 PolarHBondContact NH2-OE2 3.34Å
207S89.4Confident90.6Very high68 Ų6849.8 Ų49.848%0.47623%0.234SC..G310 helixtrans-60.8-30.2177.568.20000114.2Q205Q205-S207 PolarHBondContact O-N 3.3Å; Q205-S207 VanDerWaalsContact O-N 3.16Å
208E92.7Very high90.2Very high19 Ų1952.1 Ų52.19%0.08926%0.259CS..G310 helixtrans-89.3-19.2-174.2-62.6-56.1114.400112.9G184 G203 Q205 R206 K210 K211G184-E208 PolarHBondContact N-OE2 3.39Å; G203-E208 WeakPolarHBondContact O-CB 3.33Å; Q205-E208 PolarHBondContact O-N 3.19Å; R206-E208 VanDerWaalsContact C-N 3.25Å; R206-E208 PolarHBondContact O-N 3Å; E208-K210 PolarHBondContact O-N 3.46Å; E208-K210 VanDerWaalsContact O-N 3.14Å; E208-K211 WeakPolarHBondContact O-CB 3.31Å; E208-K211 PolarHBondContact O-N 3.3Å; E208-K211 IonicContact OE1-NZ 2.87Å; E208-K211 IonicContact OE2-NZ 3.9Å; E208-K211 PolarHBondContact OE2-NZ 2.97Å
209R91.9Very high90.1Very high48 Ų4850.7 Ų50.718%0.18125%0.254CS..G310 helixtrans-65-23.5-170.6-53.3-169-168.5150.63.7114.6G204 Q205 R206 K211 W212 E246G204-R209 PolarHBondContact O-NE 3.08Å; G204-R209 VanDerWaalsContact O-NE 3.14Å; G204-R209 PolarHBondContact O-NH2 3.15Å; Q205-R209 WeakPolarHBondContact O-CG 3.36Å; Q205-R209 PolarHBondContact O-N 3.45Å; R206-R209 PolarHBondContact O-N 2.66Å; R209-K211 PolarHBondContact O-N 2.86Å; R209-K211 VanDerWaalsContact O-N 3.16Å; R209-W212 HydrophobicContact CB-CD2 4.08Å; R209-W212 HydrophobicContact CB-CE3 4.45Å; R209-W212 HydrophobicContact CB-CG 4.5Å; R209-W212 HydrophobicContact CB-CZ2 4.27Å; R209-W212 HydrophobicContact CG-CD2 4.35Å; R209-W212 HydrophobicContact CG-CH2 4.02Å; R209-W212 HydrophobicContact CG-CZ2 3.62Å; R209-W212 WeakPolarHBondContact O-CB 3.46Å; R209-W212 VanDerWaalsContact O-CG 3.29Å; R209-W212 PolarHBondContact O-N 3.22Å; R209-W212 VanDerWaalsContact O-N 3.13Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 VanDerWaalsContact CZ-OE1 3.29Å; R209-E246 IonicContact NH1-OE1 2.71Å; R209-E246 PolarHBondContact NH1-OE1 3.24Å; R209-E246 IonicContact NH2-OE1 2.67Å; R209-E246 PolarHBondContact NH2-OE1 2.91Å
210K89.6Confident89.8Confident185 Ų18552.1 Ų52.180%0.80426%0.263SS*.G310 helixtrans-60.2-24.5175.1-67.3-176.7-179.1178.40112.6E208E208-K210 PolarHBondContact O-N 3.46Å; E208-K210 VanDerWaalsContact O-N 3.14Å
211K91.2Very high89.6Confident78 Ų7850.9 Ų50.934%0.33926%0.257SS..G310 helixtrans-81.3-15.6-179.2-57.6174.1-173.3167.70112.8E208 R209 I213 H214E208-K211 WeakPolarHBondContact O-CB 3.31Å; E208-K211 PolarHBondContact O-N 3.3Å; E208-K211 IonicContact OE1-NZ 2.87Å; E208-K211 IonicContact OE2-NZ 3.9Å; E208-K211 PolarHBondContact OE2-NZ 2.97Å; R209-K211 PolarHBondContact O-N 2.86Å; R209-K211 VanDerWaalsContact O-N 3.16Å; K211-I213 VanDerWaalsContact C-N 3.28Å; K211-I213 PolarHBondContact O-N 3.42Å; K211-H214 WeakPolarHBondContact O-CB 3.4Å; K211-H214 PolarHBondContact O-CD2 3.33Å; K211-H214 PolarHBondContact O-N 3.32Å
212W91.6Very high89.6Confident8 Ų850.6 Ų50.63%0.0326%0.255CS..G310 helixtrans-62.5-33.8-172.2-66.94000113.4L39 V202 G203 R209 H214 C215 F216 L250 I254L39-W212 HydrophobicContact CB-CZ3 4.47Å; L39-W212 HydrophobicContact CD2-CD2 3.83Å; L39-W212 HydrophobicContact CD2-CE3 3.66Å; L39-W212 HydrophobicContact CD2-CG 4.37Å; L39-W212 HydrophobicContact CD2-CH2 4.3Å; L39-W212 HydrophobicContact CD2-CZ2 4.46Å; L39-W212 HydrophobicContact CD2-CZ3 3.89Å; V202-W212 HydrophobicContact CB-CG 4.48Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.12Å; V202-W212 HydrophobicContact CG2-CG 4.01Å; V202-W212 HydrophobicContact CG2-CZ2 4.28Å; V202-W212 VanDerWaalsContact CG2-NE1 3.26Å; G203-W212 PolarHBondContact O-NE1 3.46Å; R209-W212 HydrophobicContact CB-CD2 4.08Å; R209-W212 HydrophobicContact CB-CE3 4.45Å; R209-W212 HydrophobicContact CB-CG 4.5Å; R209-W212 HydrophobicContact CB-CZ2 4.27Å; R209-W212 HydrophobicContact CG-CD2 4.35Å; R209-W212 HydrophobicContact CG-CH2 4.02Å; R209-W212 HydrophobicContact CG-CZ2 3.62Å; R209-W212 WeakPolarHBondContact O-CB 3.46Å; R209-W212 VanDerWaalsContact O-CG 3.29Å; R209-W212 PolarHBondContact O-N 3.22Å; R209-W212 VanDerWaalsContact O-N 3.13Å; W212-H214 PolarHBondContact O-N 3.26Å; W212-C215 PolarHBondContact O-N 3.04Å; W212-F216 HydrophobicContact CB-CE1 3.7Å; W212-F216 HydrophobicContact CB-CZ 4Å; W212-F216 WeakPolarHBondContact O-CD1 2.98Å; W212-F216 WeakPolarHBondContact O-CE1 3.34Å; W212-L250 HydrophobicContact CH2-CD1 3.89Å; W212-L250 HydrophobicContact CH2-CD2 3.83Å; W212-L250 HydrophobicContact CH2-CG 4.32Å; W212-L250 HydrophobicContact CZ3-CD1 3.71Å; W212-L250 HydrophobicContact CZ3-CD2 4.4Å; W212-L250 HydrophobicContact CZ3-CG 4.4Å; W212-I254 HydrophobicContact CE3-CD1 4.3Å; W212-I254 HydrophobicContact CZ3-CD1 4.17Å
213I86.4Confident89.7Confident81 Ų8150.5 Ų50.542%0.41526%0.255SS..G310 helixtrans-56.9-26-179.3-168.559.9000112.8K211 C215 F216K211-I213 VanDerWaalsContact C-N 3.28Å; K211-I213 PolarHBondContact O-N 3.42Å; I213-C215 PolarHBondContact O-N 3.37Å; I213-F216 HydrophobicContact CD1-CB 4.36Å; I213-F216 HydrophobicContact CD1-CD2 3.56Å; I213-F216 HydrophobicContact CD1-CE2 4.14Å; I213-F216 HydrophobicContact CD1-CG 4.13Å; I213-F216 PolarHBondContact O-N 3.01Å
214H85.8Confident89.9Confident145 Ų14550.5 Ų50.567%0.67126%0.255SS*.G310 helixtrans-70-10.2177.5-57.9-57.2000113.7I185 K211 W212I185-H214 HydrophobicContact CD1-CB 4.08Å; K211-H214 WeakPolarHBondContact O-CB 3.4Å; K211-H214 PolarHBondContact O-CD2 3.33Å; K211-H214 PolarHBondContact O-N 3.32Å; W212-H214 PolarHBondContact O-N 3.26Å
215C88.9Confident90.2Very high12 Ų1250.2 Ų50.28%0.08125%0.252CS..G310 helixtrans-113.54.7179.8-53.60000113.1L37 I185 W212 I213 V219L37-C215 HydrophobicContact CD1-CB 3.68Å; I185-C215 WeakPolarHBondContact CD1-SG 3.42Å; I185-C215 VanDerWaalsContact CG2-SG 3.51Å; W212-C215 PolarHBondContact O-N 3.04Å; I213-C215 PolarHBondContact O-N 3.37Å; C215-V219 WeakPolarHBondContact O-CG2 3.24Å
216F87.1Confident90.7Very high17 Ų1748.2 Ų48.28%0.07524%0.242CC..  trans-82.6-21.2-170.5-76.413.4000113.4L37 W212 I213 I254 W259 F260L37-F216 HydrophobicContact CD2-CD1 3.64Å; L37-F216 HydrophobicContact CD2-CE1 3.75Å; W212-F216 HydrophobicContact CB-CE1 3.7Å; W212-F216 HydrophobicContact CB-CZ 4Å; W212-F216 WeakPolarHBondContact O-CD1 2.98Å; W212-F216 WeakPolarHBondContact O-CE1 3.34Å; I213-F216 HydrophobicContact CD1-CB 4.36Å; I213-F216 HydrophobicContact CD1-CD2 3.56Å; I213-F216 HydrophobicContact CD1-CE2 4.14Å; I213-F216 HydrophobicContact CD1-CG 4.13Å; I213-F216 PolarHBondContact O-N 3.01Å; F216-I254 HydrophobicContact CZ-CD1 4.31Å; F216-W259 HydrophobicContact CD2-CB 4.23Å; F216-W259 HydrophobicContact CD2-CG 4.35Å; F216-F260 HydrophobicContact CB-CE1 4.06Å; F216-F260 HydrophobicContact CB-CZ 4.04Å; F216-F260 HydrophobicContact CD1-CE1 4.19Å; F216-F260 HydrophobicContact CD1-CE2 4.29Å; F216-F260 AromaticContact CD1-CZ 3.42Å; F216-F260 HydrophobicContact CD1-CZ 3.42Å; F216-F260 VanDerWaalsContact CD1-CZ 3.42Å; F216-F260 HydrophobicContact CD2-CE1 4.1Å; F216-F260 AromaticContact CD2-CE2 3.8Å; F216-F260 HydrophobicContact CD2-CE2 3.8Å; F216-F260 AromaticContact CD2-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CZ 3.39Å; F216-F260 HydrophobicContact CE1-CE2 4Å; F216-F260 AromaticContact CE1-CZ 3.52Å; F216-F260 HydrophobicContact CE1-CZ 3.52Å; F216-F260 AromaticContact CE2-CE2 3.5Å; F216-F260 HydrophobicContact CE2-CE2 3.5Å; F216-F260 VanDerWaalsContact CE2-CE2 3.5Å; F216-F260 AromaticContact CE2-CZ 3.53Å; F216-F260 HydrophobicContact CE2-CZ 3.53Å; F216-F260 AromaticContact CG-CE1 3.88Å; F216-F260 HydrophobicContact CG-CE1 3.88Å; F216-F260 HydrophobicContact CG-CE2 4.19Å; F216-F260 AromaticContact CG-CZ 3.34Å; F216-F260 HydrophobicContact CG-CZ 3.34Å; F216-F260 AromaticContact CZ-CE2 3.61Å; F216-F260 HydrophobicContact CZ-CE2 3.61Å; F216-F260 AromaticContact CZ-CZ 3.59Å; F216-F260 HydrophobicContact CZ-CZ 3.59Å
217E83.6Confident91Very high168 Ų16844.7 Ų44.779%0.78523%0.231SC*.THydrogen-bonded Turntrans-76129-176.2-170.7175.9-174.500112V219E217-V219 PolarHBondContact O-N 3.06Å
218G82.8Confident91.4Very high53 Ų5341.4 Ų41.455%0.54621%0.209SC..THydrogen-bonded Turntrans67.520.817500000114.6K35 T220K35-G218 WeakPolarHBondContact CD-O 3.39Å; G218-T220 PolarHBondContact O-N 3.27Å
219V89.4Confident91.7Very high14 Ų1440.6 Ų40.69%0.08521%0.205CC..  trans-68.7123.3174.8175.10000109.8L37 C215 E217 A221 I222 T263L37-V219 HydrophobicContact CB-CG1 3.77Å; L37-V219 HydrophobicContact CB-CG2 4.02Å; L37-V219 HydrophobicContact CD2-CG2 4.18Å; C215-V219 WeakPolarHBondContact O-CG2 3.24Å; E217-V219 PolarHBondContact O-N 3.06Å; V219-A221 WeakPolarHBondContact CG1-O 3.42Å; V219-I222 HydrophobicContact CG1-CG1 4.15Å; V219-T263 HydrophobicContact CG1-CG2 4.17Å
220T88.4Confident91.9Very high31 Ų3138.6 Ų38.619%0.1920%0.199CC..SBendtrans-72-43.9176.8-46.80000111V34 K35 G218 I344 N348V34-T220 HydrophobicContact CG1-CG2 4.05Å; K35-T220 PolarHBondContact N-OG1 3.13Å; K35-T220 WeakPolarHBondContact O-CB 3.27Å; K35-T220 PolarHBondContact O-N 2.87Å; G218-T220 PolarHBondContact O-N 3.27Å; T220-I344 HydrophobicContact CG2-CG2 4.44Å; T220-N348 HydrophobicContact CG2-CB 4.35Å; T220-N348 WeakPolarHBondContact CG2-ND2 3.33Å
221A90.6Very high92.3Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-153.4153.9176.900000112.6K35 L36 L37 V219 S264 I266 I344K35-A221 PolarHBondContact O-N 3.38Å; L36-A221 WeakPolarHBondContact CA-O 3.18Å; L36-A221 HydrophobicContact CD2-CB 3.91Å; L37-A221 PolarHBondContact N-O 2.85Å; L37-A221 VanDerWaalsContact N-O 3.08Å; V219-A221 WeakPolarHBondContact CG1-O 3.42Å; A221-S264 WeakPolarHBondContact CA-O 3.28Å; A221-I266 HydrophobicContact CB-CD1 4.34Å; A221-I344 HydrophobicContact CB-CD1 3.73Å; A221-I344 HydrophobicContact CB-CG2 3.94Å
222I93.6Very high92.6Very high0 Ų026.8 Ų26.80%015%0.148CC..EExtended strand (participates in β ladder)trans-103.6130.8174-63.9169.4000109L37 L39 V219 F224 I254 F260 T263 S264 I265 I266L37-I222 HydrophobicContact CB-CG1 4.47Å; L37-I222 WeakPolarHBondContact O-CA 3.01Å; L39-I222 HydrophobicContact CB-CG2 4.29Å; L39-I222 HydrophobicContact CD1-CD1 4.39Å; L39-I222 HydrophobicContact CD1-CG2 3.92Å; L39-I222 HydrophobicContact CG-CG2 4.15Å; V219-I222 HydrophobicContact CG1-CG1 4.15Å; I222-F224 HydrophobicContact CG2-CB 4.46Å; I222-I254 HydrophobicContact CD1-CG2 4.04Å; I222-F260 HydrophobicContact CD1-CB 4.13Å; I222-F260 HydrophobicContact CD1-CD1 3.61Å; I222-F260 HydrophobicContact CD1-CD2 3.6Å; I222-F260 HydrophobicContact CD1-CE1 3.73Å; I222-F260 HydrophobicContact CD1-CE2 3.72Å; I222-F260 HydrophobicContact CD1-CG 3.51Å; I222-F260 HydrophobicContact CD1-CZ 3.74Å; I222-F260 HydrophobicContact CG1-CE1 4.47Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.99Å; I222-S264 PolarHBondContact N-O 3.26Å; I222-I265 HydrophobicContact CB-CG1 4.31Å; I222-I265 HydrophobicContact CD1-CG1 4.48Å; I222-I266 PolarHBondContact O-N 3.42Å
223I95.7Very high92.8Very high0 Ų027.3 Ų27.30%015%0.151CC..EExtended strand (participates in β ladder)trans-99.6110.3163.9-61.6170.2000107.2L36 L37 L38 L39 M199 I266 F268L36-I223 HydrophobicContact CD1-CD1 4.24Å; L37-I223 PolarHBondContact O-N 2.77Å; L38-I223 CarbonylContact C-O 3.58Å; L38-I223 WeakPolarHBondContact CA-O 3.29Å; L38-I223 HydrophobicContact CD2-CB 3.73Å; L38-I223 HydrophobicContact CD2-CD1 4.26Å; L38-I223 HydrophobicContact CD2-CG2 3.65Å; L39-I223 PolarHBondContact N-O 3.34Å; M199-I223 HydrophobicContact CE-CD1 4.18Å; I223-I266 HydrophobicContact CD1-CD1 4.36Å; I223-I266 HydrophobicContact CG1-CB 4.42Å; I223-I266 HydrophobicContact CG1-CD1 3.47Å; I223-I266 VanDerWaalsContact CG1-CD1 3.47Å; I223-F268 HydrophobicContact CG2-CD1 4.42Å; I223-F268 HydrophobicContact CG2-CD2 3.47Å; I223-F268 VanDerWaalsContact CG2-CD2 3.47Å; I223-F268 HydrophobicContact CG2-CE2 3.58Å; I223-F268 HydrophobicContact CG2-CG 3.92Å; I223-F268 HydrophobicContact CG2-CZ 4.11Å
224F97.7Very high93.3Very high0 Ų025.8 Ų25.80%015%0.146CC..EExtended strand (participates in β ladder)trans-98.7113.1176-164.9-82.9000110.4L39 I222 V226 L250 F251 I254 I266 L267 F268 F308L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.28Å; L39-F224 CarbonylContact O-C 3.41Å; L39-F224 WeakPolarHBondContact O-CA 3.4Å; I222-F224 HydrophobicContact CG2-CB 4.46Å; F224-V226 HydrophobicContact CD1-CG2 3.81Å; F224-V226 HydrophobicContact CE1-CG2 3.8Å; F224-L250 HydrophobicContact CE2-CD2 4.22Å; F224-L250 HydrophobicContact CE2-CG 4Å; F224-L250 HydrophobicContact CZ-CB 4.23Å; F224-L250 HydrophobicContact CZ-CD2 3.97Å; F224-L250 HydrophobicContact CZ-CG 3.9Å; F224-F251 HydrophobicContact CB-CD2 4.13Å; F224-F251 HydrophobicContact CB-CE2 4.13Å; F224-F251 HydrophobicContact CD1-CB 4.44Å; F224-F251 AromaticContact CD1-CD2 3.53Å; F224-F251 HydrophobicContact CD1-CD2 3.53Å; F224-F251 HydrophobicContact CD1-CE2 4.24Å; F224-F251 HydrophobicContact CD1-CG 4.4Å; F224-F251 AromaticContact CD2-CD2 3.86Å; F224-F251 HydrophobicContact CD2-CD2 3.86Å; F224-F251 HydrophobicContact CE1-CB 3.82Å; F224-F251 AromaticContact CE1-CD2 3.8Å; F224-F251 HydrophobicContact CE1-CD2 3.8Å; F224-F251 HydrophobicContact CE1-CG 4.26Å; F224-F251 HydrophobicContact CE2-CB 4.27Å; F224-F251 HydrophobicContact CE2-CD2 4.11Å; F224-F251 AromaticContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CE2 4.08Å; F224-F251 HydrophobicContact CZ-CB 3.72Å; F224-F251 HydrophobicContact CZ-CD2 4.07Å; F224-F251 HydrophobicContact CZ-CG 4.42Å; F224-I254 HydrophobicContact CE2-CG1 4.24Å; F224-I266 PolarHBondContact N-O 2.73Å; F224-L267 HydrophobicContact CB-CD1 4.37Å; F224-L267 HydrophobicContact CD1-CD1 3.93Å; F224-F268 PolarHBondContact O-N 3.45Å; F224-F308 HydrophobicContact CE1-CE1 4.49Å
225C98.1Very high93.6Very high0 Ų019.4 Ų19.40%012%0.117CC..EExtended strand (participates in β ladder)trans-94.1124.4-179.5-63.90000111.7L39 S44 K46L39-C225 PolarHBondContact O-N 2.6Å; S44-C225 WeakPolarHBondContact CB-O 3.47Å; S44-C225 WeakPolarHBondContact OG-CB 3.41Å; S44-C225 PolarHBondContact OG-O 2.66Å; K46-C225 HydrophobicContact CG-CB 4.07Å
226V98.6Very high93.7Very high0 Ų022 Ų220%014%0.139CC..EExtended strand (participates in β ladder)trans-112.2135.2173.5-179.70000109F224 M244 L267 F268 L269 N270 F308F224-V226 HydrophobicContact CD1-CG2 3.81Å; F224-V226 HydrophobicContact CE1-CG2 3.8Å; V226-M244 HydrophobicContact CG1-CE 4.21Å; V226-M244 HydrophobicContact CG1-SD 3.9Å; V226-L267 HydrophobicContact CG2-CD1 3.66Å; V226-F268 PolarHBondContact N-O 3.08Å; V226-L269 HydrophobicContact CB-CD2 3.94Å; V226-L269 HydrophobicContact CG1-CD2 4.22Å; V226-L269 HydrophobicContact CG2-CD2 4.2Å; V226-N270 WeakPolarHBondContact O-CA 3.39Å; V226-N270 WeakPolarHBondContact O-CB 3.41Å; V226-N270 PolarHBondContact O-N 3.35Å; V226-F308 HydrophobicContact CB-CZ 4.26Å; V226-F308 HydrophobicContact CG1-CE1 4.39Å; V226-F308 HydrophobicContact CG1-CE2 3.77Å; V226-F308 HydrophobicContact CG1-CZ 3.57Å; V226-F308 HydrophobicContact CG2-CD1 4.12Å; V226-F308 HydrophobicContact CG2-CE1 3.55Å; V226-F308 HydrophobicContact CG2-CE2 4.19Å; V226-F308 HydrophobicContact CG2-CZ 3.6Å
227A98.2Very high93.8Very high11 Ų1125.1 Ų25.19%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-88.3106.5169.200000109.9S229 A230 M244 K271A227-S229 VanDerWaalsContact C-N 3.26Å; A227-S229 PolarHBondContact O-N 2.86Å; A227-A230 HydrophobicContact CB-CB 3.87Å; A227-A230 WeakPolarHBondContact O-CB 3.41Å; A227-A230 PolarHBondContact O-N 2.88Å; A227-A230 VanDerWaalsContact O-N 3.16Å; A227-M244 WeakPolarHBondContact O-CE 3.31Å; A227-K271 HydrophobicContact CB-CD 3.86Å
228L98.5Very high94.2Very high0 Ų019.5 Ų19.50%013%0.129CC..G310 helixtrans-58-41.9176.1-74.8177000111.7A230 Y231 L269 N270 K272 F275 I304 F324L228-A230 PolarHBondContact O-N 3.16Å; L228-Y231 WeakPolarHBondContact O-CD1 3.38Å; L228-L269 HydrophobicContact CD1-CB 3.95Å; L228-L269 HydrophobicContact CD2-CB 4Å; L228-L269 HydrophobicContact CD2-CD1 4.47Å; L228-L269 HydrophobicContact CD2-CD2 4.23Å; L228-L269 HydrophobicContact CD2-CG 4.45Å; L228-L269 HydrophobicContact CG-CB 3.93Å; L228-N270 WeakPolarHBondContact CB-O 3.36Å; L228-N270 PolarHBondContact N-O 3.01Å; L228-K272 HydrophobicContact CD1-CB 4.2Å; L228-F275 HydrophobicContact CB-CB 3.67Å; L228-F275 HydrophobicContact CB-CD1 4.35Å; L228-F275 HydrophobicContact CB-CD2 4.03Å; L228-F275 HydrophobicContact CB-CG 3.76Å; L228-F275 HydrophobicContact CD1-CD1 4.34Å; L228-F275 WeakPolarHBondContact O-CD2 3.43Å; L228-I304 HydrophobicContact CD2-CB 4.16Å; L228-I304 HydrophobicContact CD2-CD1 3.94Å; L228-I304 HydrophobicContact CD2-CG2 3.72Å; L228-F324 HydrophobicContact CD1-CD1 3.92Å; L228-F324 HydrophobicContact CD1-CE1 4.22Å
229S97.6Very high94.5Very high2 Ų224.7 Ų24.71%0.01414%0.139CC..G310 helixtrans-65.6-4.5-179.964.60000114.8A227 K271 K278A227-S229 VanDerWaalsContact C-N 3.26Å; A227-S229 PolarHBondContact O-N 2.86Å; S229-K271 WeakPolarHBondContact OG-CD 3.3Å; S229-K278 PolarHBondContact O-NZ 3.45Å
230A97.3Very high94.6Very high6 Ų632.8 Ų32.85%0.0518%0.176CC..G310 helixtrans-91.22.7-176.500000114.4A227 L228 D232 L233 R243A227-A230 HydrophobicContact CB-CB 3.87Å; A227-A230 WeakPolarHBondContact O-CB 3.41Å; A227-A230 PolarHBondContact O-N 2.88Å; A227-A230 VanDerWaalsContact O-N 3.16Å; L228-A230 PolarHBondContact O-N 3.16Å; A230-D232 PolarHBondContact O-N 3.29Å; A230-L233 HydrophobicContact CB-CD1 4.35Å; A230-L233 PolarHBondContact O-N 3.08Å; A230-L233 VanDerWaalsContact O-N 3.13Å; A230-R243 HydrophobicContact CB-CB 3.86Å
231Y97.8Very high94.9Very high0 Ų032.5 Ų32.50%017%0.173CC..THydrogen-bonded Turntrans-59.1-27.6-177.573.1-84.4000114.1L228 N242 F275 K278 I279 S282 L284 C287L228-Y231 WeakPolarHBondContact O-CD1 3.38Å; Y231-N242 PolarHBondContact O-ND2 2.78Å; Y231-F275 AromaticContact CD1-CD2 3.74Å; Y231-F275 HydrophobicContact CD1-CD2 3.74Å; Y231-F275 AromaticContact CD1-CE2 3.62Å; Y231-F275 HydrophobicContact CD1-CE2 3.62Å; Y231-F275 AromaticContact CE1-CD2 3.66Å; Y231-F275 HydrophobicContact CE1-CD2 3.66Å; Y231-F275 AromaticContact CE1-CE2 3.64Å; Y231-F275 HydrophobicContact CE1-CE2 3.64Å; Y231-F275 HydrophobicContact CG-CE2 4.42Å; Y231-K278 HydrophobicContact CE1-CD 3.66Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.15Å; Y231-I279 WeakPolarHBondContact OH-CA 3.23Å; Y231-S282 WeakPolarHBondContact CE2-O 3.49Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 3.38Å; Y231-L284 HydrophobicContact CD2-CD1 3.89Å; Y231-L284 HydrophobicContact CG-CD1 4Å; Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.4Å
232D96.8Very high95.2Very high14 Ų1433.5 Ų33.58%0.07518%0.178CC..THydrogen-bonded Turntrans-10818.5179.670.5-15.6000113.5R145 A230 K278 S282 I286R145-D232 WeakPolarHBondContact CD-OD2 3.44Å; A230-D232 PolarHBondContact O-N 3.29Å; D232-K278 WeakPolarHBondContact OD1-CD 3.24Å; D232-K278 IonicContact OD1-NZ 3.61Å; D232-K278 PolarHBondContact OD1-NZ 2.91Å; D232-K278 WeakPolarHBondContact OD2-CD 3.43Å; D232-K278 IonicContact OD2-NZ 3.53Å; D232-S282 WeakPolarHBondContact CB-OG 3.15Å; D232-S282 VanDerWaalsContact OD2-CB 3.31Å; D232-S282 WeakPolarHBondContact OD2-CB 3.39Å; D232-S282 PolarHBondContact OD2-OG 3.17Å; D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.27Å
233L96.6Very high95.3Very high19 Ų1934.6 Ų34.610%0.09918%0.182CC..  trans-113.1152.6-178.9-58.7-177.2000111.6R145 A230 N242 R243R145-L233 HydrophobicContact CB-CD2 3.76Å; A230-L233 HydrophobicContact CB-CD1 4.35Å; A230-L233 PolarHBondContact O-N 3.08Å; A230-L233 VanDerWaalsContact O-N 3.13Å; L233-N242 WeakPolarHBondContact O-CA 3.39Å; L233-N242 PolarHBondContact O-ND2 2.98Å; L233-R243 HydrophobicContact CB-CB 4.47Å; L233-R243 HydrophobicContact CB-CG 3.95Å; L233-R243 PolarHBondContact O-N 3.15Å
234V95.8Very high95.4Very high49 Ų4934.6 Ų34.630%0.29718%0.182SC..EExtended strand (participates in β ladder)trans-104156.5170.1-61.10000111.3Q148 E239 M241 R243Q148-V234 PolarHBondContact NE2-O 2.93Å; Q148-V234 VanDerWaalsContact NE2-O 3.15Å; V234-E239 WeakPolarHBondContact CB-O 3.3Å; V234-E239 WeakPolarHBondContact CG1-O 3.36Å; V234-M241 WeakPolarHBondContact CA-O 3.34Å; V234-R243 VanDerWaalsContact C-CG 3.45Å; V234-R243 WeakPolarHBondContact O-CG 3.38Å; V234-R243 PolarHBondContact O-NE 2.77Å
235L93.3Very high95.4Very high12 Ų1237.9 Ų37.96%0.06320%0.198CC..EExtended strand (participates in β ladder)trans-65.5144.8178.4-67.2172000110.6E237 D238 M241 R243 E246L235-E237 PolarHBondContact O-N 3.23Å; L235-D238 HydrophobicContact CB-CB 4.22Å; L235-D238 WeakPolarHBondContact CB-O 3.41Å; L235-D238 HydrophobicContact CD1-CB 4.3Å; L235-D238 PolarHBondContact N-O 2.73Å; L235-D238 CarbonylContact O-C 3.42Å; L235-D238 PolarHBondContact O-N 3.17Å; L235-D238 VanDerWaalsContact O-O 3.11Å; L235-M241 HydrophobicContact CD1-CB 3.91Å; L235-M241 HydrophobicContact CD1-CG 3.69Å; L235-M241 HydrophobicContact CG-CB 4.44Å; L235-M241 HydrophobicContact CG-CG 4.41Å; L235-M241 PolarHBondContact N-O 3.14Å; L235-R243 HydrophobicContact CD2-CB 4.47Å; L235-R243 HydrophobicContact CD2-CG 3.97Å; L235-R243 HydrophobicContact CG-CG 4.36Å; L235-E246 HydrophobicContact CD1-CB 3.9Å; L235-E246 HydrophobicContact CD1-CG 3.74Å; L235-E246 HydrophobicContact CD2-CB 4.23Å; L235-E246 HydrophobicContact CD2-CG 4.07Å; L235-E246 HydrophobicContact CG-CB 4.34Å; L235-E246 HydrophobicContact CG-CG 4.43Å
236A89.9Confident95.4Very high66 Ų6638.4 Ų38.455%0.54520%0.2SC..THydrogen-bonded Turntrans-68-24170.300000112.4Q148Q148-A236 HydrophobicContact CG-CB 4.13Å
237E89.6Confident95.4Very high82 Ų8238.6 Ų38.638%0.38320%0.201SC..THydrogen-bonded Turntrans-85.7-13.3179.4-59.2174.692.800112.3R206 L235R206-E237 WeakPolarHBondContact CB-OE1 2.98Å; R206-E237 PolarHBondContact N-OE1 3.31Å; R206-E237 PolarHBondContact N-OE2 3.27Å; L235-E237 PolarHBondContact O-N 3.23Å
238D91.3Very high95.4Very high50 Ų5039.3 Ų39.327%0.26720%0.203SC..EExtended strand (participates in β ladder)trans-164.997.4-168-176.6-12.3000109.8R206 L235 E240 M241R206-D238 IonicContact CZ-OD2 3.79Å; R206-D238 IonicContact NH1-OD2 2.94Å; R206-D238 PolarHBondContact NH1-OD2 3.25Å; R206-D238 IonicContact NH2-OD2 2.66Å; L235-D238 HydrophobicContact CB-CB 4.22Å; L235-D238 WeakPolarHBondContact CB-O 3.41Å; L235-D238 HydrophobicContact CD1-CB 4.3Å; L235-D238 PolarHBondContact N-O 2.73Å; L235-D238 CarbonylContact O-C 3.42Å; L235-D238 PolarHBondContact O-N 3.17Å; L235-D238 VanDerWaalsContact O-O 3.11Å; D238-E240 PolarHBondContact O-N 3.41Å; D238-E240 PolarHBondContact OD1-N 3.49Å; D238-M241 HydrophobicContact CB-CB 4.06Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.11Å; D238-M241 PolarHBondContact OD1-N 3.45Å; D238-M241 WeakPolarHBondContact OD2-CB 3.14Å
239E89.3Confident95.4Very high162 Ų16245.4 Ų45.476%0.75723%0.229SC*.EExtended strand (participates in β ladder)trans-70.7-10.2-172.3-64.8-174.9171.100114V234V234-E239 WeakPolarHBondContact CB-O 3.3Å; V234-E239 WeakPolarHBondContact CG1-O 3.36Å
240E91.3Very high95.3Very high185 Ų18545.8 Ų45.886%0.86423%0.231SC*.EExtended strand (participates in β ladder)trans-93-22.9175.6-62.1-173165.200112.1D238D238-E240 PolarHBondContact O-N 3.41Å; D238-E240 PolarHBondContact OD1-N 3.49Å
241M94.8Very high95.4Very high24 Ų2445.5 Ų45.512%0.11823%0.229CC..EExtended strand (participates in β ladder)trans-89.8114.3-174.8-174.273.1-166.400111.6V234 L235 D238 R243 H245 E246 K249V234-M241 WeakPolarHBondContact CA-O 3.34Å; L235-M241 HydrophobicContact CD1-CB 3.91Å; L235-M241 HydrophobicContact CD1-CG 3.69Å; L235-M241 HydrophobicContact CG-CB 4.44Å; L235-M241 HydrophobicContact CG-CG 4.41Å; L235-M241 PolarHBondContact N-O 3.14Å; D238-M241 HydrophobicContact CB-CB 4.06Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.11Å; D238-M241 PolarHBondContact OD1-N 3.45Å; D238-M241 WeakPolarHBondContact OD2-CB 3.14Å; M241-R243 PolarHBondContact O-N 3.07Å; M241-H245 HydrophobicContact CE-CB 3.72Å; M241-E246 VanDerWaalsContact CE-CA 3.43Å; M241-E246 HydrophobicContact CE-CB 3.77Å; M241-E246 HydrophobicContact CG-CB 4.21Å; M241-K249 HydrophobicContact CE-CD 3.72Å
242N96.9Very high95.4Very high21 Ų2147.8 Ų47.811%0.11224%0.241CC..EExtended strand (participates in β ladder)trans-60.2134.6171.7-178.3-77.9000111.8Y231 L233 M244 H245 E246Y231-N242 PolarHBondContact O-ND2 2.78Å; L233-N242 WeakPolarHBondContact O-CA 3.39Å; L233-N242 PolarHBondContact O-ND2 2.98Å; N242-M244 PolarHBondContact O-N 3.13Å; N242-M244 WeakPolarHBondContact OD1-CA 3.44Å; N242-M244 VanDerWaalsContact OD1-CB 3.31Å; N242-M244 WeakPolarHBondContact OD1-CB 3.36Å; N242-M244 PolarHBondContact OD1-N 3.29Å; N242-H245 HydrophobicContact CB-CB 4.26Å; N242-H245 PolarHBondContact O-N 2.83Å; N242-H245 PolarHBondContact OD1-N 2.89Å; N242-E246 PolarHBondContact O-N 3.12Å
243R97.3Very high95.4Very high23 Ų2350 Ų509%0.08726%0.258CS..Hα-helixtrans-64-37.4-175.9-66.5-165.8176.9-162.3-9.7113.2E43 A230 L233 V234 L235 M241 E246 S247E43-R243 IonicContact OE1-NH2 2.87Å; E43-R243 IonicContact OE2-CZ 3.08Å; E43-R243 IonicContact OE2-NH1 2.93Å; E43-R243 PolarHBondContact OE2-NH1 2.96Å; E43-R243 IonicContact OE2-NH2 3.29Å; E43-R243 PolarHBondContact OE2-NH2 3.15Å; A230-R243 HydrophobicContact CB-CB 3.86Å; L233-R243 HydrophobicContact CB-CB 4.47Å; L233-R243 HydrophobicContact CB-CG 3.95Å; L233-R243 PolarHBondContact O-N 3.15Å; V234-R243 VanDerWaalsContact C-CG 3.45Å; V234-R243 WeakPolarHBondContact O-CG 3.38Å; V234-R243 PolarHBondContact O-NE 2.77Å; L235-R243 HydrophobicContact CD2-CB 4.47Å; L235-R243 HydrophobicContact CD2-CG 3.97Å; L235-R243 HydrophobicContact CG-CG 4.36Å; M241-R243 PolarHBondContact O-N 3.07Å; R243-E246 PolarHBondContact O-N 3.34Å; R243-S247 WeakPolarHBondContact O-CB 3.37Å; R243-S247 PolarHBondContact O-N 3.29Å
244M97.9Very high95.3Very high1 Ų149.4 Ų49.41%0.00526%0.255CS..Hα-helixtrans-68.9-44.4178.5-178.264.474.100111V226 A227 N242 E246 S247 M248 F288 I304 F308V226-M244 HydrophobicContact CG1-CE 4.21Å; V226-M244 HydrophobicContact CG1-SD 3.9Å; A227-M244 WeakPolarHBondContact O-CE 3.31Å; N242-M244 PolarHBondContact O-N 3.13Å; N242-M244 WeakPolarHBondContact OD1-CA 3.44Å; N242-M244 VanDerWaalsContact OD1-CB 3.31Å; N242-M244 WeakPolarHBondContact OD1-CB 3.36Å; N242-M244 PolarHBondContact OD1-N 3.29Å; M244-E246 VanDerWaalsContact C-N 3.29Å; M244-E246 PolarHBondContact O-N 3.14Å; M244-S247 WeakPolarHBondContact O-CB 3.36Å; M244-S247 PolarHBondContact O-N 3.36Å; M244-S247 VanDerWaalsContact O-N 3.11Å; M244-M248 WeakPolarHBondContact O-CG 3.49Å; M244-M248 PolarHBondContact O-N 2.93Å; M244-F288 HydrophobicContact CG-CE2 4.18Å; M244-F288 HydrophobicContact CG-CZ 3.9Å; M244-I304 HydrophobicContact CE-CD1 4.27Å; M244-I304 HydrophobicContact CE-CG2 4.17Å; M244-I304 HydrophobicContact SD-CG2 4.25Å; M244-F308 HydrophobicContact SD-CE2 3.57Å; M244-F308 VanDerWaalsContact SD-CE2 3.57Å; M244-F308 HydrophobicContact SD-CZ 3.83Å
245H97.9Very high95.3Very high69 Ų6947.2 Ų47.232%0.31924%0.241SC..Hα-helixtrans-60.1-38.2173.6-70.2150.8000112.7M241 N242 M248 K249 C287M241-H245 HydrophobicContact CE-CB 3.72Å; N242-H245 HydrophobicContact CB-CB 4.26Å; N242-H245 PolarHBondContact O-N 2.83Å; N242-H245 PolarHBondContact OD1-N 2.89Å; H245-M248 PolarHBondContact O-N 3.29Å; H245-K249 WeakPolarHBondContact O-CG 3.4Å; H245-K249 PolarHBondContact O-N 2.67Å; H245-C287 PolarHBondContact CE1-O 3.44Å; H245-C287 PolarHBondContact NE2-O 3.11Å
246E97.1Very high95.4Very high11 Ų1148.4 Ų48.45%0.05125%0.248CC..Hα-helixtrans-64.6-43.4174.2174.669.8178.100111R206 R209 L235 M241 N242 R243 M244 M248 K249 L250R206-E246 IonicContact CZ-OE1 3.65Å; R206-E246 IonicContact CZ-OE2 3.55Å; R206-E246 IonicContact NE-OE1 2.55Å; R206-E246 PolarHBondContact NE-OE1 3.46Å; R206-E246 VanDerWaalsContact NE-OE1 3.08Å; R206-E246 IonicContact NE-OE2 2.78Å; R206-E246 IonicContact NH2-OE1 3.23Å; R206-E246 IonicContact NH2-OE2 3.48Å; R206-E246 PolarHBondContact NH2-OE2 3.34Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 VanDerWaalsContact CZ-OE1 3.29Å; R209-E246 IonicContact NH1-OE1 2.71Å; R209-E246 PolarHBondContact NH1-OE1 3.24Å; R209-E246 IonicContact NH2-OE1 2.67Å; R209-E246 PolarHBondContact NH2-OE1 2.91Å; L235-E246 HydrophobicContact CD1-CB 3.9Å; L235-E246 HydrophobicContact CD1-CG 3.74Å; L235-E246 HydrophobicContact CD2-CB 4.23Å; L235-E246 HydrophobicContact CD2-CG 4.07Å; L235-E246 HydrophobicContact CG-CB 4.34Å; L235-E246 HydrophobicContact CG-CG 4.43Å; M241-E246 VanDerWaalsContact CE-CA 3.43Å; M241-E246 HydrophobicContact CE-CB 3.77Å; M241-E246 HydrophobicContact CG-CB 4.21Å; N242-E246 PolarHBondContact O-N 3.12Å; R243-E246 PolarHBondContact O-N 3.34Å; M244-E246 VanDerWaalsContact C-N 3.29Å; M244-E246 PolarHBondContact O-N 3.14Å; E246-M248 VanDerWaalsContact C-N 3.31Å; E246-M248 PolarHBondContact O-N 3.1Å; E246-K249 PolarHBondContact O-N 3.26Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.26Å; E246-L250 PolarHBondContact O-N 3.42Å
247S98.3Very high95.5Very high4 Ų447.5 Ų47.53%0.02823%0.234CC..Hα-helixtrans-61.6-39.5177-167.20000111.8R243 M244 F251R243-S247 WeakPolarHBondContact O-CB 3.37Å; R243-S247 PolarHBondContact O-N 3.29Å; M244-S247 WeakPolarHBondContact O-CB 3.36Å; M244-S247 PolarHBondContact O-N 3.36Å; M244-S247 VanDerWaalsContact O-N 3.11Å; S247-F251 WeakPolarHBondContact O-CB 3.41Å; S247-F251 PolarHBondContact O-N 3.43Å
248M98.6Very high95.6Very high25 Ų2552.6 Ų52.612%0.12326%0.255CS..Hα-helixtrans-66.2-47.3174.8-72178.972.700112.2M244 H245 E246 L250 F251 D252 F288 K307 F308 L311M244-M248 WeakPolarHBondContact O-CG 3.49Å; M244-M248 PolarHBondContact O-N 2.93Å; H245-M248 PolarHBondContact O-N 3.29Å; E246-M248 VanDerWaalsContact C-N 3.31Å; E246-M248 PolarHBondContact O-N 3.1Å; M248-L250 VanDerWaalsContact C-N 3.27Å; M248-L250 PolarHBondContact O-N 3.35Å; M248-F251 PolarHBondContact O-N 2.59Å; M248-D252 PolarHBondContact O-N 3.17Å; M248-F288 HydrophobicContact CE-CE1 4.38Å; M248-F288 HydrophobicContact SD-CE1 3.71Å; M248-F288 HydrophobicContact SD-CZ 3.74Å; M248-K307 HydrophobicContact CE-CB 3.87Å; M248-F308 HydrophobicContact CB-CE1 4.44Å; M248-F308 HydrophobicContact CB-CZ 4.41Å; M248-F308 HydrophobicContact CG-CD1 4.45Å; M248-F308 HydrophobicContact CG-CD2 4.37Å; M248-F308 HydrophobicContact CG-CE1 3.87Å; M248-F308 HydrophobicContact CG-CE2 3.77Å; M248-F308 HydrophobicContact CG-CZ 3.48Å; M248-F308 VanDerWaalsContact CG-CZ 3.48Å; M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.13Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.4Å
249K97.6Very high95.5Very high128 Ų12858.2 Ų58.256%0.55727%0.272SS*.Hα-helixtrans-57.4-43.9175.3-74.4178.4-175.11750111.4M241 H245 E246 S253M241-K249 HydrophobicContact CE-CD 3.72Å; H245-K249 WeakPolarHBondContact O-CG 3.4Å; H245-K249 PolarHBondContact O-N 2.67Å; E246-K249 PolarHBondContact O-N 3.26Å; K249-S253 PolarHBondContact O-N 3.33Å; K249-S253 VanDerWaalsContact O-N 3.17Å
250L97.3Very high95.5Very high11 Ų1150.5 Ų50.56%0.05824%0.236CC..Hα-helixtrans-62.6-46.8176.2-178.462.9000111.2W212 F224 E246 M248 S253 I254W212-L250 HydrophobicContact CH2-CD1 3.89Å; W212-L250 HydrophobicContact CH2-CD2 3.83Å; W212-L250 HydrophobicContact CH2-CG 4.32Å; W212-L250 HydrophobicContact CZ3-CD1 3.71Å; W212-L250 HydrophobicContact CZ3-CD2 4.4Å; W212-L250 HydrophobicContact CZ3-CG 4.4Å; F224-L250 HydrophobicContact CE2-CD2 4.22Å; F224-L250 HydrophobicContact CE2-CG 4Å; F224-L250 HydrophobicContact CZ-CB 4.23Å; F224-L250 HydrophobicContact CZ-CD2 3.97Å; F224-L250 HydrophobicContact CZ-CG 3.9Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.26Å; E246-L250 PolarHBondContact O-N 3.42Å; M248-L250 VanDerWaalsContact C-N 3.27Å; M248-L250 PolarHBondContact O-N 3.35Å; L250-S253 PolarHBondContact O-N 3.31Å; L250-S253 PolarHBondContact O-OG 2.86Å; L250-I254 WeakPolarHBondContact O-CG1 3.33Å; L250-I254 PolarHBondContact O-N 2.65Å; L250-I254 VanDerWaalsContact O-N 3.12Å
251F98.2Very high95.4Very high0 Ų043.4 Ų43.40%021%0.205CC..Hα-helixtrans-60.3-46.8177.2-174.3-103.7000112.5F224 S247 M248 S253 I254 C255 I265 L267 F308 L311 I320F224-F251 HydrophobicContact CB-CD2 4.13Å; F224-F251 HydrophobicContact CB-CE2 4.13Å; F224-F251 HydrophobicContact CD1-CB 4.44Å; F224-F251 AromaticContact CD1-CD2 3.53Å; F224-F251 HydrophobicContact CD1-CD2 3.53Å; F224-F251 HydrophobicContact CD1-CE2 4.24Å; F224-F251 HydrophobicContact CD1-CG 4.4Å; F224-F251 AromaticContact CD2-CD2 3.86Å; F224-F251 HydrophobicContact CD2-CD2 3.86Å; F224-F251 HydrophobicContact CE1-CB 3.82Å; F224-F251 AromaticContact CE1-CD2 3.8Å; F224-F251 HydrophobicContact CE1-CD2 3.8Å; F224-F251 HydrophobicContact CE1-CG 4.26Å; F224-F251 HydrophobicContact CE2-CB 4.27Å; F224-F251 HydrophobicContact CE2-CD2 4.11Å; F224-F251 AromaticContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CE2 4.08Å; F224-F251 HydrophobicContact CZ-CB 3.72Å; F224-F251 HydrophobicContact CZ-CD2 4.07Å; F224-F251 HydrophobicContact CZ-CG 4.42Å; S247-F251 WeakPolarHBondContact O-CB 3.41Å; S247-F251 PolarHBondContact O-N 3.43Å; M248-F251 PolarHBondContact O-N 2.59Å; F251-S253 VanDerWaalsContact C-N 3.26Å; F251-S253 PolarHBondContact O-N 3.07Å; F251-I254 PolarHBondContact O-N 3.44Å; F251-I254 VanDerWaalsContact O-N 3.08Å; F251-C255 HydrophobicContact CD1-CB 4.28Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CZ-CB 4.14Å; F251-C255 VanDerWaalsContact O-CB 3.26Å; F251-C255 WeakPolarHBondContact O-CB 3.32Å; F251-C255 PolarHBondContact O-N 3.14Å; F251-I265 HydrophobicContact CE2-CG2 3.89Å; F251-I265 HydrophobicContact CZ-CG2 4.27Å; F251-L267 HydrophobicContact CD2-CD1 4.25Å; F251-L267 HydrophobicContact CE2-CD1 3.96Å; F251-L267 HydrophobicContact CZ-CD1 4.48Å; F251-F308 HydrophobicContact CB-CD1 3.84Å; F251-F308 HydrophobicContact CB-CE1 3.83Å; F251-F308 AromaticContact CD1-CD1 3.8Å; F251-F308 HydrophobicContact CD1-CD1 3.8Å; F251-F308 HydrophobicContact CD2-CD1 4.37Å; F251-F308 HydrophobicContact CE1-CD1 4.45Å; F251-F308 VanDerWaalsContact CE1-O 3.31Å; F251-F308 WeakPolarHBondContact CE1-O 3.35Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.21Å; F251-L311 HydrophobicContact CD1-CB 4.05Å; F251-L311 HydrophobicContact CD1-CD1 3.97Å; F251-L311 HydrophobicContact CE1-CB 4.4Å; F251-I320 HydrophobicContact CE1-CD1 3.81Å; F251-I320 HydrophobicContact CZ-CD1 3.57Å; F251-I320 HydrophobicContact CZ-CG1 4.24Å; F251-I320 HydrophobicContact CZ-CG2 4.4Å
252D97.9Very high94.9Very high48 Ų4849.8 Ų49.826%0.25724%0.235SC..Hα-helixtrans-54.2-44.6176.1178.155.1000111.1M248 I254 N256 L311 K313M248-D252 PolarHBondContact O-N 3.17Å; D252-I254 VanDerWaalsContact C-N 3.33Å; D252-I254 PolarHBondContact O-N 3.02Å; D252-N256 WeakPolarHBondContact O-CB 3.25Å; D252-N256 PolarHBondContact O-N 3.07Å; D252-N256 VanDerWaalsContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.46Å; D252-N256 VanDerWaalsContact O-ND2 3.15Å; D252-N256 PolarHBondContact OD1-ND2 3.41Å; D252-L311 HydrophobicContact CB-CB 4.39Å; D252-L311 HydrophobicContact CB-CD1 4.44Å; D252-L311 HydrophobicContact CB-CD2 4.32Å; D252-K313 WeakPolarHBondContact OD1-CE 3.13Å; D252-K313 IonicContact OD1-NZ 3.34Å; D252-K313 PolarHBondContact OD1-NZ 3.13Å; D252-K313 IonicContact OD2-NZ 3.58Å; D252-K313 PolarHBondContact OD2-NZ 2.94Å
253S96.2Very high94.5Very high60 Ų6049.7 Ų49.742%0.4224%0.235SC..Hα-helixtrans-66.1-30.317977.40000114.5K249 L250 F251 N257K249-S253 PolarHBondContact O-N 3.33Å; K249-S253 VanDerWaalsContact O-N 3.17Å; L250-S253 PolarHBondContact O-N 3.31Å; L250-S253 PolarHBondContact O-OG 2.86Å; F251-S253 VanDerWaalsContact C-N 3.26Å; F251-S253 PolarHBondContact O-N 3.07Å; S253-N257 WeakPolarHBondContact O-CB 3.14Å
254I95.2Very high94Very high7 Ų749.7 Ų49.74%0.03624%0.239CC..Hα-helixtrans-84.8-50.5179.1-66.7-57.8000109.9L39 W212 F216 I222 F224 L250 F251 D252 N256 N257 F260L39-I254 HydrophobicContact CD1-CD1 3.85Å; L39-I254 HydrophobicContact CD1-CG1 4.08Å; L39-I254 HydrophobicContact CD1-CG2 3.79Å; W212-I254 HydrophobicContact CE3-CD1 4.3Å; W212-I254 HydrophobicContact CZ3-CD1 4.17Å; F216-I254 HydrophobicContact CZ-CD1 4.31Å; I222-I254 HydrophobicContact CD1-CG2 4.04Å; F224-I254 HydrophobicContact CE2-CG1 4.24Å; L250-I254 WeakPolarHBondContact O-CG1 3.33Å; L250-I254 PolarHBondContact O-N 2.65Å; L250-I254 VanDerWaalsContact O-N 3.12Å; F251-I254 PolarHBondContact O-N 3.44Å; F251-I254 VanDerWaalsContact O-N 3.08Å; D252-I254 VanDerWaalsContact C-N 3.33Å; D252-I254 PolarHBondContact O-N 3.02Å; I254-N256 PolarHBondContact O-N 2.81Å; I254-N257 VanDerWaalsContact O-CB 3.29Å; I254-N257 WeakPolarHBondContact O-CB 3.42Å; I254-N257 PolarHBondContact O-N 3.36Å; I254-N257 VanDerWaalsContact O-N 3.07Å; I254-F260 HydrophobicContact CD1-CE2 4.25Å; I254-F260 HydrophobicContact CG2-CD2 4Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å
255C95.2Very high93.8Very high2 Ų249.7 Ų49.71%0.01424%0.239CC..Hα-helixtrans-57.5-38.9-177-174.20000111.8F251 I265 K318F251-C255 HydrophobicContact CD1-CB 4.28Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CZ-CB 4.14Å; F251-C255 VanDerWaalsContact O-CB 3.26Å; F251-C255 WeakPolarHBondContact O-CB 3.32Å; F251-C255 PolarHBondContact O-N 3.14Å; C255-I265 HydrophobicContact CB-CD1 4.11Å; C255-K318 PolarHBondContact O-NZ 2.78Å
256N95Very high93.6Very high38 Ų3846.4 Ų46.420%0.20322%0.224CC..THydrogen-bonded Turntrans-99.812.3-178.1-58.8-55.1000113.4D252 I254 L311 K313D252-N256 WeakPolarHBondContact O-CB 3.25Å; D252-N256 PolarHBondContact O-N 3.07Å; D252-N256 VanDerWaalsContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.46Å; D252-N256 VanDerWaalsContact O-ND2 3.15Å; D252-N256 PolarHBondContact OD1-ND2 3.41Å; I254-N256 PolarHBondContact O-N 2.81Å; N256-L311 PolarHBondContact ND2-O 2.88Å; N256-K313 HydrophobicContact CB-CD 4.48Å; N256-K313 WeakPolarHBondContact OD1-CB 3.37Å; N256-K313 PolarHBondContact OD1-N 3.06Å; N256-K313 VanDerWaalsContact OD1-N 3.13Å
257N92.4Very high93.6Very high47 Ų4745.9 Ų45.925%0.25122%0.221SC..  trans-70.8139.5176.9-159.1-56.1000111.3S253 I254 W259 F260S253-N257 WeakPolarHBondContact O-CB 3.14Å; I254-N257 VanDerWaalsContact O-CB 3.29Å; I254-N257 WeakPolarHBondContact O-CB 3.42Å; I254-N257 PolarHBondContact O-N 3.36Å; I254-N257 VanDerWaalsContact O-N 3.07Å; N257-W259 VanDerWaalsContact C-N 3.27Å; N257-W259 PolarHBondContact O-N 3.05Å; N257-W259 VanDerWaalsContact OD1-CD1 3.29Å; N257-W259 PolarHBondContact OD1-N 3.14Å; N257-F260 HydrophobicContact CB-CD2 3.85Å; N257-F260 CarbonylContact O-C 3.32Å; N257-F260 PolarHBondContact O-N 2.95Å; N257-F260 VanDerWaalsContact O-N 3.08Å
258K91.3Very high93.6Very high189 Ų18945.8 Ų45.882%0.82222%0.22SC*.G310 helixtrans-59.9-36.2177.2-65.7-175.1179.6-178.20112.6F260 T261K258-F260 PolarHBondContact O-N 3.29Å; K258-T261 PolarHBondContact O-N 3.16Å; K258-T261 PolarHBondContact O-OG1 3.16Å
259W89.8Confident93.6Very high167 Ų16744.6 Ų44.663%0.63321%0.214SC*.G310 helixtrans-62.8-23.3177.6-71.696.1000113.2F216 N257F216-W259 HydrophobicContact CD2-CB 4.23Å; F216-W259 HydrophobicContact CD2-CG 4.35Å; N257-W259 VanDerWaalsContact C-N 3.27Å; N257-W259 PolarHBondContact O-N 3.05Å; N257-W259 VanDerWaalsContact OD1-CD1 3.29Å; N257-W259 PolarHBondContact OD1-N 3.14Å
260F90.4Very high93.7Very high0 Ų038.7 Ų38.70%019%0.189CC..G310 helixtrans-116.928.5-174.6-56.6-46.2000112.7L37 L39 F216 I222 I254 N257 K258 E262 T263 K318L37-F260 HydrophobicContact CD2-CZ 4.12Å; L39-F260 HydrophobicContact CD1-CE2 4.47Å; F216-F260 HydrophobicContact CB-CE1 4.06Å; F216-F260 HydrophobicContact CB-CZ 4.04Å; F216-F260 HydrophobicContact CD1-CE1 4.19Å; F216-F260 HydrophobicContact CD1-CE2 4.29Å; F216-F260 AromaticContact CD1-CZ 3.42Å; F216-F260 HydrophobicContact CD1-CZ 3.42Å; F216-F260 VanDerWaalsContact CD1-CZ 3.42Å; F216-F260 HydrophobicContact CD2-CE1 4.1Å; F216-F260 AromaticContact CD2-CE2 3.8Å; F216-F260 HydrophobicContact CD2-CE2 3.8Å; F216-F260 AromaticContact CD2-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CZ 3.39Å; F216-F260 HydrophobicContact CE1-CE2 4Å; F216-F260 AromaticContact CE1-CZ 3.52Å; F216-F260 HydrophobicContact CE1-CZ 3.52Å; F216-F260 AromaticContact CE2-CE2 3.5Å; F216-F260 HydrophobicContact CE2-CE2 3.5Å; F216-F260 VanDerWaalsContact CE2-CE2 3.5Å; F216-F260 AromaticContact CE2-CZ 3.53Å; F216-F260 HydrophobicContact CE2-CZ 3.53Å; F216-F260 AromaticContact CG-CE1 3.88Å; F216-F260 HydrophobicContact CG-CE1 3.88Å; F216-F260 HydrophobicContact CG-CE2 4.19Å; F216-F260 AromaticContact CG-CZ 3.34Å; F216-F260 HydrophobicContact CG-CZ 3.34Å; F216-F260 AromaticContact CZ-CE2 3.61Å; F216-F260 HydrophobicContact CZ-CE2 3.61Å; F216-F260 AromaticContact CZ-CZ 3.59Å; F216-F260 HydrophobicContact CZ-CZ 3.59Å; I222-F260 HydrophobicContact CD1-CB 4.13Å; I222-F260 HydrophobicContact CD1-CD1 3.61Å; I222-F260 HydrophobicContact CD1-CD2 3.6Å; I222-F260 HydrophobicContact CD1-CE1 3.73Å; I222-F260 HydrophobicContact CD1-CE2 3.72Å; I222-F260 HydrophobicContact CD1-CG 3.51Å; I222-F260 HydrophobicContact CD1-CZ 3.74Å; I222-F260 HydrophobicContact CG1-CE1 4.47Å; I254-F260 HydrophobicContact CD1-CE2 4.25Å; I254-F260 HydrophobicContact CG2-CD2 4Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å; N257-F260 HydrophobicContact CB-CD2 3.85Å; N257-F260 CarbonylContact O-C 3.32Å; N257-F260 PolarHBondContact O-N 2.95Å; N257-F260 VanDerWaalsContact O-N 3.08Å; K258-F260 PolarHBondContact O-N 3.29Å; F260-E262 PolarHBondContact O-N 3.4Å; F260-T263 HydrophobicContact CD1-CG2 4.38Å; F260-T263 PolarHBondContact O-N 3.33Å; F260-K318 PolarHBondContact O-NZ 3.05Å
261T87.9Confident93.7Very high36 Ų3639.1 Ų39.122%0.22119%0.19CC..SBendtrans-61.4-46.2-176.6-65.40000111.6K258 K314K258-T261 PolarHBondContact O-N 3.16Å; K258-T261 PolarHBondContact O-OG1 3.16Å; T261-K314 HydrophobicContact CG2-CD 4.5Å; T261-K314 PolarHBondContact OG1-NZ 3.15Å
262E83.8Confident93.7Very high158 Ų15842 Ų4274%0.73820%0.203SC*.SBendtrans-98.4-3.1179.8-53.7-55.4145.400112.8F260 S264F260-E262 PolarHBondContact O-N 3.4Å; E262-S264 PolarHBondContact O-N 3.5Å
263T88.5Confident93.6Very high20 Ų2042.4 Ų42.412%0.12321%0.205CC..  trans-77.5125.3-177.3-50.10000110.6V219 I222 F260 K318V219-T263 HydrophobicContact CG1-CG2 4.17Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.99Å; F260-T263 HydrophobicContact CD1-CG2 4.38Å; F260-T263 PolarHBondContact O-N 3.33Å; T263-K318 VanDerWaalsContact O-CE 3.22Å; T263-K318 WeakPolarHBondContact O-CE 3.41Å; T263-K318 PolarHBondContact O-NZ 2.89Å
264S87.9Confident93.7Very high23 Ų2342 Ų4216%0.16120%0.198CC..EExtended strand (participates in β ladder)trans-60.8137.7173.8-71.10000111.4A221 I222 E262A221-S264 WeakPolarHBondContact CA-O 3.28Å; I222-S264 PolarHBondContact N-O 3.26Å; E262-S264 PolarHBondContact O-N 3.5Å
265I93.1Very high93.8Very high0 Ų041.6 Ų41.60%020%0.196CC..EExtended strand (participates in β ladder)trans-118.2126.4177.1-63-173.5000109.8I222 F251 C255 K318 I320 Y321I222-I265 HydrophobicContact CB-CG1 4.31Å; I222-I265 HydrophobicContact CD1-CG1 4.48Å; F251-I265 HydrophobicContact CE2-CG2 3.89Å; F251-I265 HydrophobicContact CZ-CG2 4.27Å; C255-I265 HydrophobicContact CB-CD1 4.11Å; I265-K318 VanDerWaalsContact CD1-CE 3.42Å; I265-I320 WeakPolarHBondContact O-CA 3.21Å; I265-Y321 PolarHBondContact O-N 3.04Å
266I95.1Very high93.9Very high0 Ų046.9 Ų46.90%022%0.22CC..EExtended strand (participates in β ladder)trans-103.1126.3169-49.6139.5000107.2A221 I222 I223 F224 F268 Y321 V340 I344A221-I266 HydrophobicContact CB-CD1 4.34Å; I222-I266 PolarHBondContact O-N 3.42Å; I223-I266 HydrophobicContact CD1-CD1 4.36Å; I223-I266 HydrophobicContact CG1-CB 4.42Å; I223-I266 HydrophobicContact CG1-CD1 3.47Å; I223-I266 VanDerWaalsContact CG1-CD1 3.47Å; F224-I266 PolarHBondContact N-O 2.73Å; I266-F268 HydrophobicContact CG2-CD1 3.71Å; I266-F268 HydrophobicContact CG2-CE1 3.37Å; I266-F268 HydrophobicContact CG2-CZ 4.27Å; I266-Y321 CarbonylContact C-O 3.59Å; I266-Y321 WeakPolarHBondContact CA-O 3.41Å; I266-Y321 WeakPolarHBondContact CG2-O 2.95Å; I266-V340 HydrophobicContact CD1-CG1 3.26Å; I266-V340 HydrophobicContact CD1-CG2 4.47Å; I266-V340 HydrophobicContact CG1-CG1 3.76Å; I266-V340 HydrophobicContact CG1-CG2 4.3Å; I266-V340 HydrophobicContact CG2-CG1 4.47Å; I266-V340 HydrophobicContact CG2-CG2 3.63Å; I266-I344 HydrophobicContact CD1-CD1 3.31Å; I266-I344 HydrophobicContact CG1-CD1 3.41Å; I266-I344 VanDerWaalsContact CG1-CD1 3.41Å
267L97.2Very high93.9Very high0 Ų050 Ų500%023%0.234CC..EExtended strand (participates in β ladder)trans-102.4111.4177.8-179.365.1000109.7F224 V226 F251 L269 F308 I320 Y321 T322 H323F224-L267 HydrophobicContact CB-CD1 4.37Å; F224-L267 HydrophobicContact CD1-CD1 3.93Å; V226-L267 HydrophobicContact CG2-CD1 3.66Å; F251-L267 HydrophobicContact CD2-CD1 4.25Å; F251-L267 HydrophobicContact CE2-CD1 3.96Å; F251-L267 HydrophobicContact CZ-CD1 4.48Å; L267-L269 HydrophobicContact CD1-CD2 4.44Å; L267-L269 HydrophobicContact CD2-CD2 4.07Å; L267-L269 HydrophobicContact CD2-CG 4.46Å; L267-L269 HydrophobicContact CG-CD2 4.06Å; L267-L269 HydrophobicContact CG-CG 4.35Å; L267-F308 HydrophobicContact CD1-CD1 4.28Å; L267-F308 HydrophobicContact CD2-CB 3.5Å; L267-F308 VanDerWaalsContact CD2-CB 3.5Å; L267-F308 HydrophobicContact CD2-CG 4.09Å; L267-I320 HydrophobicContact CB-CG2 3.6Å; L267-I320 HydrophobicContact CD2-CG2 4.3Å; L267-Y321 PolarHBondContact N-O 2.8Å; L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 4.03Å; L267-T322 HydrophobicContact CG-CG2 4.27Å; L267-T322 CarbonylContact O-C 3.6Å; L267-T322 WeakPolarHBondContact O-CA 3.37Å; L267-H323 PolarHBondContact O-N 3.18Å
268F98.1Very high94.1Very high2 Ų250 Ų501%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-92.6108.3172.2-76.60.3000110I49 I223 F224 V226 I266 N270 H323 T325 V336 V340I49-F268 HydrophobicContact CD1-CD2 4.17Å; I49-F268 HydrophobicContact CD1-CE2 4.15Å; I49-F268 HydrophobicContact CG1-CD2 4.3Å; I49-F268 HydrophobicContact CG1-CE2 4.45Å; I49-F268 HydrophobicContact CG2-CE2 4.4Å; I223-F268 HydrophobicContact CG2-CD1 4.42Å; I223-F268 HydrophobicContact CG2-CD2 3.47Å; I223-F268 VanDerWaalsContact CG2-CD2 3.47Å; I223-F268 HydrophobicContact CG2-CE2 3.58Å; I223-F268 HydrophobicContact CG2-CG 3.92Å; I223-F268 HydrophobicContact CG2-CZ 4.11Å; F224-F268 PolarHBondContact O-N 3.45Å; V226-F268 PolarHBondContact N-O 3.08Å; I266-F268 HydrophobicContact CG2-CD1 3.71Å; I266-F268 HydrophobicContact CG2-CE1 3.37Å; I266-F268 HydrophobicContact CG2-CZ 4.27Å; F268-N270 PolarHBondContact O-N 3.3Å; F268-H323 HydrophobicContact CD1-CB 4.14Å; F268-H323 HydrophobicContact CE1-CB 4.27Å; F268-T325 HydrophobicContact CB-CG2 4.29Å; F268-T325 HydrophobicContact CD1-CG2 3.97Å; F268-T325 HydrophobicContact CD2-CG2 4.18Å; F268-T325 HydrophobicContact CE1-CG2 4.32Å; F268-T325 HydrophobicContact CG-CG2 3.89Å; F268-V336 HydrophobicContact CD1-CG1 4.19Å; F268-V336 HydrophobicContact CE1-CG1 3.32Å; F268-V336 HydrophobicContact CZ-CG1 3.57Å; F268-V340 HydrophobicContact CE1-CG2 4.18Å
269L98.5Very high94.4Very high0 Ų041.1 Ų41.10%019%0.193CC..EExtended strand (participates in β ladder)trans-84.883.9168.1-61.6-177.6000108.1V226 L228 L267 Q305 F308 T322 H323 F324 T325V226-L269 HydrophobicContact CB-CD2 3.94Å; V226-L269 HydrophobicContact CG1-CD2 4.22Å; V226-L269 HydrophobicContact CG2-CD2 4.2Å; L228-L269 HydrophobicContact CD1-CB 3.95Å; L228-L269 HydrophobicContact CD2-CB 4Å; L228-L269 HydrophobicContact CD2-CD1 4.47Å; L228-L269 HydrophobicContact CD2-CD2 4.23Å; L228-L269 HydrophobicContact CD2-CG 4.45Å; L228-L269 HydrophobicContact CG-CB 3.93Å; L267-L269 HydrophobicContact CD1-CD2 4.44Å; L267-L269 HydrophobicContact CD2-CD2 4.07Å; L267-L269 HydrophobicContact CD2-CG 4.46Å; L267-L269 HydrophobicContact CG-CD2 4.06Å; L267-L269 HydrophobicContact CG-CG 4.35Å; L269-Q305 HydrophobicContact CD1-CB 3.66Å; L269-Q305 HydrophobicContact CD1-CG 4.35Å; L269-F308 HydrophobicContact CD2-CD2 4.41Å; L269-T322 HydrophobicContact CD1-CG2 3.59Å; L269-T322 HydrophobicContact CG-CG2 3.86Å; L269-H323 PolarHBondContact N-O 2.88Å; L269-F324 HydrophobicContact CB-CD1 3.79Å; L269-F324 HydrophobicContact CB-CE1 4Å; L269-F324 HydrophobicContact CD1-CD1 4.04Å; L269-F324 HydrophobicContact CD1-CE1 3.41Å; L269-F324 VanDerWaalsContact CD1-CE1 3.41Å; L269-F324 HydrophobicContact CD1-CZ 3.81Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.49Å; L269-T325 PolarHBondContact O-N 3.29Å
270N98.4Very high94.6Very high4 Ų437.9 Ų37.92%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-87.2166.8-169.9-168.227.3000112.7S44 V226 L228 F268 K272 T325 A327S44-N270 PolarHBondContact O-ND2 2.84Å; V226-N270 WeakPolarHBondContact O-CA 3.39Å; V226-N270 WeakPolarHBondContact O-CB 3.41Å; V226-N270 PolarHBondContact O-N 3.35Å; L228-N270 WeakPolarHBondContact CB-O 3.36Å; L228-N270 PolarHBondContact N-O 3.01Å; F268-N270 PolarHBondContact O-N 3.3Å; N270-K272 VanDerWaalsContact C-N 3.29Å; N270-T325 CarbonylContact C-O 3.58Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.34Å; N270-T325 WeakPolarHBondContact CA-OG1 3.31Å; N270-T325 WeakPolarHBondContact CB-OG1 3.2Å; N270-T325 PolarHBondContact N-OG1 3.14Å; N270-T325 PolarHBondContact OD1-O 2.86Å; N270-T325 PolarHBondContact OD1-OG1 3.39Å; N270-A327 WeakPolarHBondContact ND2-CB 3.07Å; N270-A327 WeakPolarHBondContact OD1-CB 3.39Å; N270-A327 PolarHBondContact OD1-N 2.92Å
271K97.9Very high94.8Very high20 Ų2046.3 Ų46.39%0.08722%0.223CC..  trans61.237.8-177.3-48.7-176.8-172.61780112.2E43 D151 A227 S229 D273 L274 F275 T325E43-K271 WeakPolarHBondContact O-CE 3.17Å; E43-K271 PolarHBondContact O-NZ 2.55Å; D151-K271 WeakPolarHBondContact OD2-CD 3.39Å; D151-K271 VanDerWaalsContact OD2-CE 3.26Å; D151-K271 WeakPolarHBondContact OD2-CE 3.3Å; D151-K271 IonicContact OD2-NZ 3.8Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; A227-K271 HydrophobicContact CB-CD 3.86Å; S229-K271 WeakPolarHBondContact OG-CD 3.3Å; K271-D273 VanDerWaalsContact C-OD1 3.24Å; K271-D273 WeakPolarHBondContact CA-OD1 3.32Å; K271-D273 PolarHBondContact O-N 3.4Å; K271-L274 HydrophobicContact CB-CB 4.36Å; K271-L274 HydrophobicContact CB-CD1 4.29Å; K271-L274 HydrophobicContact CD-CD1 4.24Å; K271-L274 PolarHBondContact O-N 2.77Å; K271-F275 WeakPolarHBondContact O-CB 3.42Å; K271-F275 PolarHBondContact O-N 2.93Å; K271-T325 PolarHBondContact N-O 3.18Å; K271-T325 VanDerWaalsContact N-O 3.09Å
272K97.6Very high95.2Very high60 Ų6044.9 Ų44.926%0.26122%0.215SC..Hα-helixtrans-59.5-33.5178.873.2177.3-175.3173.60112.3L228 N270 F275 E276 F297 F324 T325 C326L228-K272 HydrophobicContact CD1-CB 4.2Å; N270-K272 VanDerWaalsContact C-N 3.29Å; K272-F275 PolarHBondContact O-N 2.96Å; K272-E276 VanDerWaalsContact O-CB 3.32Å; K272-E276 WeakPolarHBondContact O-CB 3.39Å; K272-E276 PolarHBondContact O-N 3.12Å; K272-F297 HydrophobicContact CB-CE2 3.9Å; K272-F297 HydrophobicContact CB-CZ 4.03Å; K272-F324 HydrophobicContact CD-CB 4.11Å; K272-T325 WeakPolarHBondContact CG-O 3.49Å; K272-T325 PolarHBondContact N-O 3Å; K272-C326 HydrophobicContact CG-CB 4.25Å
273D96.8Very high95.8Very high57 Ų5739.6 Ų39.631%0.30519%0.194SC..Hα-helixtrans-61.2-50.2175.758.1-40.4000111.7K271 F275 E276 E277 C326K271-D273 VanDerWaalsContact C-OD1 3.24Å; K271-D273 WeakPolarHBondContact CA-OD1 3.32Å; K271-D273 PolarHBondContact O-N 3.4Å; D273-F275 VanDerWaalsContact C-N 3.32Å; D273-F275 PolarHBondContact O-N 2.75Å; D273-E276 PolarHBondContact O-N 3.19Å; D273-E277 PolarHBondContact O-N 3.33Å; D273-C326 VanDerWaalsContact CG-SG 3.57Å
274L96.8Very high96.2Very high51 Ų5138.6 Ų38.627%0.26719%0.188SC..Hα-helixtrans-68.7-34177.4-61.8179.5000111.9D151 K271 K278D151-L274 HydrophobicContact CB-CD1 3.77Å; K271-L274 HydrophobicContact CB-CB 4.36Å; K271-L274 HydrophobicContact CB-CD1 4.29Å; K271-L274 HydrophobicContact CD-CD1 4.24Å; K271-L274 PolarHBondContact O-N 2.77Å; L274-K278 WeakPolarHBondContact O-CB 3.45Å; L274-K278 PolarHBondContact O-N 3.21Å; L274-K278 VanDerWaalsContact O-N 3.08Å
275F98.2Very high96.7Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-67.2-43.8176.1-179.8-107.3000112L228 Y231 K271 K272 D273 E277 K278 I279 F297 A300 A301 I304L228-F275 HydrophobicContact CB-CB 3.67Å; L228-F275 HydrophobicContact CB-CD1 4.35Å; L228-F275 HydrophobicContact CB-CD2 4.03Å; L228-F275 HydrophobicContact CB-CG 3.76Å; L228-F275 HydrophobicContact CD1-CD1 4.34Å; L228-F275 WeakPolarHBondContact O-CD2 3.43Å; Y231-F275 AromaticContact CD1-CD2 3.74Å; Y231-F275 HydrophobicContact CD1-CD2 3.74Å; Y231-F275 AromaticContact CD1-CE2 3.62Å; Y231-F275 HydrophobicContact CD1-CE2 3.62Å; Y231-F275 AromaticContact CE1-CD2 3.66Å; Y231-F275 HydrophobicContact CE1-CD2 3.66Å; Y231-F275 AromaticContact CE1-CE2 3.64Å; Y231-F275 HydrophobicContact CE1-CE2 3.64Å; Y231-F275 HydrophobicContact CG-CE2 4.42Å; K271-F275 WeakPolarHBondContact O-CB 3.42Å; K271-F275 PolarHBondContact O-N 2.93Å; K272-F275 PolarHBondContact O-N 2.96Å; D273-F275 VanDerWaalsContact C-N 3.32Å; D273-F275 PolarHBondContact O-N 2.75Å; F275-E277 VanDerWaalsContact C-N 3.34Å; F275-E277 PolarHBondContact O-N 3.2Å; F275-K278 PolarHBondContact O-N 3.05Å; F275-I279 HydrophobicContact CE2-CB 4.41Å; F275-I279 HydrophobicContact CE2-CD1 4.13Å; F275-I279 HydrophobicContact CZ-CB 4.29Å; F275-I279 HydrophobicContact CZ-CD1 4.01Å; F275-I279 HydrophobicContact CZ-CG1 4.13Å; F275-I279 WeakPolarHBondContact O-CB 3.3Å; F275-I279 WeakPolarHBondContact O-CG2 3.16Å; F275-I279 PolarHBondContact O-N 2.66Å; F275-F297 AromaticContact CD1-CD2 3.69Å; F275-F297 HydrophobicContact CD1-CD2 3.69Å; F275-F297 AromaticContact CD1-CE2 3.88Å; F275-F297 HydrophobicContact CD1-CE2 3.88Å; F275-F297 HydrophobicContact CE1-CD2 4.19Å; F275-A300 HydrophobicContact CE1-CB 4.1Å; F275-A300 HydrophobicContact CZ-CB 3.74Å; F275-A301 HydrophobicContact CE1-CB 3.99Å; F275-I304 HydrophobicContact CE2-CD1 3.82Å; F275-I304 HydrophobicContact CZ-CD1 3.76Å
276E97.5Very high96.8Very high112 Ų11243.9 Ų43.952%0.52322%0.216SC..Hα-helixtrans-58.9-42.4178.2-177.1170.4-158.200112.2K272 D273 F297K272-E276 VanDerWaalsContact O-CB 3.32Å; K272-E276 WeakPolarHBondContact O-CB 3.39Å; K272-E276 PolarHBondContact O-N 3.12Å; D273-E276 PolarHBondContact O-N 3.19Å; E276-F297 HydrophobicContact CB-CB 4.45Å; E276-F297 HydrophobicContact CB-CD2 3.69Å; E276-F297 HydrophobicContact CB-CE2 4.34Å; E276-F297 HydrophobicContact CB-CG 4.28Å; E276-F297 HydrophobicContact CG-CB 4.13Å; E276-F297 HydrophobicContact CG-CD2 4.2Å; E276-F297 HydrophobicContact CG-CG 4.29Å
277E95.2Very high96.9Very high104 Ų10443.9 Ų43.949%0.48622%0.216SC..Hα-helixtrans-66.6-49.5173.3-172.1-174.2166.800111.1D273 F275 I279 T280 R281D273-E277 PolarHBondContact O-N 3.33Å; F275-E277 VanDerWaalsContact C-N 3.34Å; F275-E277 PolarHBondContact O-N 3.2Å; E277-I279 PolarHBondContact O-N 2.98Å; E277-T280 PolarHBondContact O-N 3.46Å; E277-T280 PolarHBondContact O-OG1 3.01Å; E277-R281 IonicContact OE1-CZ 3.91Å; E277-R281 IonicContact OE1-NH1 3.64Å; E277-R281 PolarHBondContact OE1-NH1 3.41Å; E277-R281 IonicContact OE1-NH2 3.02Å; E277-R281 PolarHBondContact OE1-NH2 3.13Å; E277-R281 VanDerWaalsContact OE1-NH2 3.15Å
278K96.1Very high97Very high47 Ų4744.1 Ų44.120%0.20422%0.217CC..Hα-helixtrans-69.4-37-168.7-172.2-172.3-85.6-162.90113.5S229 Y231 D232 L274 F275 T280 R281 S282S229-K278 PolarHBondContact O-NZ 3.45Å; Y231-K278 HydrophobicContact CE1-CD 3.66Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.15Å; D232-K278 WeakPolarHBondContact OD1-CD 3.24Å; D232-K278 IonicContact OD1-NZ 3.61Å; D232-K278 PolarHBondContact OD1-NZ 2.91Å; D232-K278 WeakPolarHBondContact OD2-CD 3.43Å; D232-K278 IonicContact OD2-NZ 3.53Å; L274-K278 WeakPolarHBondContact O-CB 3.45Å; L274-K278 PolarHBondContact O-N 3.21Å; L274-K278 VanDerWaalsContact O-N 3.08Å; F275-K278 PolarHBondContact O-N 3.05Å; K278-T280 PolarHBondContact O-N 3.23Å; K278-T280 VanDerWaalsContact O-N 3.12Å; K278-R281 PolarHBondContact O-N 2.77Å; K278-S282 PolarHBondContact O-N 3.26Å
279I97.4Very high97Very high2 Ų249 Ų491%0.0125%0.249CC..Hα-helixtrans-60.6-26.6-176.6-165.659.6000112.4Y231 F275 E277 R281 L284 N295 A300Y231-I279 WeakPolarHBondContact OH-CA 3.23Å; F275-I279 HydrophobicContact CE2-CB 4.41Å; F275-I279 HydrophobicContact CE2-CD1 4.13Å; F275-I279 HydrophobicContact CZ-CB 4.29Å; F275-I279 HydrophobicContact CZ-CD1 4.01Å; F275-I279 HydrophobicContact CZ-CG1 4.13Å; F275-I279 WeakPolarHBondContact O-CB 3.3Å; F275-I279 WeakPolarHBondContact O-CG2 3.16Å; F275-I279 PolarHBondContact O-N 2.66Å; E277-I279 PolarHBondContact O-N 2.98Å; I279-R281 PolarHBondContact O-N 3.4Å; I279-L284 HydrophobicContact CD1-CB 3.96Å; I279-N295 HydrophobicContact CD1-CB 4.35Å; I279-N295 HydrophobicContact CG1-CB 4.16Å; I279-A300 HydrophobicContact CD1-CB 4.02Å; I279-A300 HydrophobicContact CG1-CB 3.95Å
280T95.2Very high96.9Very high99 Ų9953.8 Ų53.861%0.60727%0.271SS*.THydrogen-bonded Turntrans-69.4-17.4176.469.30000113.8E277 K278E277-T280 PolarHBondContact O-N 3.46Å; E277-T280 PolarHBondContact O-OG1 3.01Å; K278-T280 PolarHBondContact O-N 3.23Å; K278-T280 VanDerWaalsContact O-N 3.12Å
281R93.6Very high96.9Very high177 Ų17754.2 Ų54.267%0.66827%0.273SS*.THydrogen-bonded Turntrans-119.5-28.7-173.9-58.1179.3-171.5155.310.3113.6E277 K278 I279E277-R281 IonicContact OE1-CZ 3.91Å; E277-R281 IonicContact OE1-NH1 3.64Å; E277-R281 PolarHBondContact OE1-NH1 3.41Å; E277-R281 IonicContact OE1-NH2 3.02Å; E277-R281 PolarHBondContact OE1-NH2 3.13Å; E277-R281 VanDerWaalsContact OE1-NH2 3.15Å; K278-R281 PolarHBondContact O-N 2.77Å; I279-R281 PolarHBondContact O-N 3.4Å
282S95.5Very high96.8Very high7 Ų760 Ų605%0.04931%0.31CS..SBendtrans-123.2113.3-176.5-174.80000108.6R145 Y231 D232 K278 I286R145-S282 PolarHBondContact NH1-OG 2.86Å; Y231-S282 WeakPolarHBondContact CE2-O 3.49Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 3.38Å; D232-S282 WeakPolarHBondContact CB-OG 3.15Å; D232-S282 VanDerWaalsContact OD2-CB 3.31Å; D232-S282 WeakPolarHBondContact OD2-CB 3.39Å; D232-S282 PolarHBondContact OD2-OG 3.17Å; K278-S282 PolarHBondContact O-N 3.26Å; S282-I286 WeakPolarHBondContact OG-CD1 3.37Å
283P96.8Very high96.7Very high46 Ų4658.1 Ų58.130%0.29931%0.307SS..  trans-71146.2-171.628.7-35.8000112.2T285 I286 N295P283-T285 PolarHBondContact O-N 3.43Å; P283-T285 VanDerWaalsContact O-N 3.13Å; P283-I286 HydrophobicContact CG-CD1 4.17Å; P283-I286 HydrophobicContact CG-CG1 4.28Å; P283-I286 WeakPolarHBondContact O-CG1 3.46Å; P283-I286 PolarHBondContact O-N 3.41Å; P283-N295 WeakPolarHBondContact CA-OD1 3.35Å
284L98.1Very high96.6Very high0 Ų057.3 Ų57.30%031%0.309CS..G310 helixtrans-62.8-22.4179.7-172.460.5000112.8Y231 I279 I286 C287 F288 Y291 N295 A300 Y303 I304Y231-L284 HydrophobicContact CD2-CD1 3.89Å; Y231-L284 HydrophobicContact CG-CD1 4Å; I279-L284 HydrophobicContact CD1-CB 3.96Å; L284-I286 PolarHBondContact O-N 2.88Å; L284-C287 PolarHBondContact O-N 3.43Å; L284-F288 HydrophobicContact CD1-CD2 3.78Å; L284-F288 HydrophobicContact CD1-CE2 4.15Å; L284-F288 HydrophobicContact CD2-CD2 4.25Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.97Å; L284-Y291 HydrophobicContact CB-CD1 3.78Å; L284-Y291 HydrophobicContact CB-CE1 4.03Å; L284-Y291 HydrophobicContact CB-CG 4.35Å; L284-Y291 HydrophobicContact CD2-CD1 3.93Å; L284-Y291 HydrophobicContact CD2-CD2 3.87Å; L284-Y291 HydrophobicContact CD2-CE1 3.99Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.85Å; L284-Y291 HydrophobicContact CG-CD1 4.23Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; L284-N295 PolarHBondContact N-OD1 3.44Å; L284-A300 HydrophobicContact CD2-CB 4.02Å; L284-Y303 HydrophobicContact CD2-CD1 3.9Å; L284-I304 HydrophobicContact CD1-CD1 3.94Å; L284-I304 HydrophobicContact CD1-CG1 4.26Å; L284-I304 HydrophobicContact CD2-CG1 4.38Å
285T97.8Very high96.5Very high58 Ų5858 Ų5836%0.35631%0.313SS..G310 helixtrans-60.8-15.1178.9540000114.6P283 C287 F288 P289 Y291P283-T285 PolarHBondContact O-N 3.43Å; P283-T285 VanDerWaalsContact O-N 3.13Å; T285-C287 VanDerWaalsContact C-N 3.3Å; T285-F288 WeakPolarHBondContact CA-O 2.95Å; T285-P289 WeakPolarHBondContact O-CA 3.45Å; T285-Y291 WeakPolarHBondContact CG2-O 3.42Å
286I96.1Very high96.4Very high76 Ų7665 Ų6539%0.3934%0.343SS..G310 helixtrans-62.3-40.7169.9-67164.9000111D232 S282 P283 L284D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.27Å; S282-I286 WeakPolarHBondContact OG-CD1 3.37Å; P283-I286 HydrophobicContact CG-CD1 4.17Å; P283-I286 HydrophobicContact CG-CG1 4.28Å; P283-I286 WeakPolarHBondContact O-CG1 3.46Å; P283-I286 PolarHBondContact O-N 3.41Å; L284-I286 PolarHBondContact O-N 2.88Å
287C97.3Very high96.3Very high0 Ų061.6 Ų61.60%033%0.327CS..THydrogen-bonded Turntrans-88.1-43.7176.8-167.80000111.3Y231 H245 L284 T285 P289Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.4Å; H245-C287 PolarHBondContact CE1-O 3.44Å; H245-C287 PolarHBondContact NE2-O 3.11Å; L284-C287 PolarHBondContact O-N 3.43Å; T285-C287 VanDerWaalsContact C-N 3.3Å; C287-P289 WeakPolarHBondContact O-CD 3.44Å
288F97.9Very high96.4Very high4 Ų462.5 Ų62.52%0.01834%0.335CS..  trans-123.883.7-172.6-58.7-71.3000109.9M244 M248 L284 T285 E290 Y291 Y303 I304 K307M244-F288 HydrophobicContact CG-CE2 4.18Å; M244-F288 HydrophobicContact CG-CZ 3.9Å; M248-F288 HydrophobicContact CE-CE1 4.38Å; M248-F288 HydrophobicContact SD-CE1 3.71Å; M248-F288 HydrophobicContact SD-CZ 3.74Å; L284-F288 HydrophobicContact CD1-CD2 3.78Å; L284-F288 HydrophobicContact CD1-CE2 4.15Å; L284-F288 HydrophobicContact CD2-CD2 4.25Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.97Å; T285-F288 WeakPolarHBondContact CA-O 2.95Å; F288-E290 VanDerWaalsContact C-OE2 3.3Å; F288-E290 PolarHBondContact O-N 3.37Å; F288-Y291 WeakPolarHBondContact O-CB 3.47Å; F288-Y291 PolarHBondContact O-N 3.04Å; F288-Y303 HydrophobicContact CB-CE1 3.87Å; F288-Y303 HydrophobicContact CD1-CE1 4.28Å; F288-Y303 HydrophobicContact CD2-CD1 4.41Å; F288-Y303 HydrophobicContact CD2-CE1 4.03Å; F288-Y303 AromaticContact CG-CE1 3.8Å; F288-Y303 HydrophobicContact CG-CE1 3.8Å; F288-I304 HydrophobicContact CE2-CG1 4.09Å; F288-K307 HydrophobicContact CE1-CG 4.33Å
289P97.6Very high96.4Very high104 Ų10464.8 Ų64.868%0.67535%0.346SS*.THydrogen-bonded Turntrans-55.2-24.8-176.8-26.935.5000114.1T285 C287 Y291T285-P289 WeakPolarHBondContact O-CA 3.45Å; C287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-Y291 VanDerWaalsContact C-N 3.33Å
290E96.9Very high96.4Very high101 Ų10164.7 Ų64.747%0.47235%0.346SS..THydrogen-bonded Turntrans-82.4-4177.678.5-78.4-166.600114.5F288 T292 Y303 K307F288-E290 VanDerWaalsContact C-OE2 3.3Å; F288-E290 PolarHBondContact O-N 3.37Å; E290-T292 PolarHBondContact O-N 2.96Å; E290-Y303 WeakPolarHBondContact CG-OH 3.47Å; E290-Y303 PolarHBondContact OE1-OH 3.21Å; E290-K307 IonicContact OE1-NZ 3.15Å; E290-K307 PolarHBondContact OE1-NZ 3.34Å
291Y98Very high96.5Very high14 Ų1460 Ų606%0.05532%0.317CS..  trans-68.1121.9177.8-179.3-109.9000111.1L284 T285 F288 P289 G293 A294 A300 Y303L284-Y291 HydrophobicContact CB-CD1 3.78Å; L284-Y291 HydrophobicContact CB-CE1 4.03Å; L284-Y291 HydrophobicContact CB-CG 4.35Å; L284-Y291 HydrophobicContact CD2-CD1 3.93Å; L284-Y291 HydrophobicContact CD2-CD2 3.87Å; L284-Y291 HydrophobicContact CD2-CE1 3.99Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.85Å; L284-Y291 HydrophobicContact CG-CD1 4.23Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; T285-Y291 WeakPolarHBondContact CG2-O 3.42Å; F288-Y291 WeakPolarHBondContact O-CB 3.47Å; F288-Y291 PolarHBondContact O-N 3.04Å; P289-Y291 VanDerWaalsContact C-N 3.33Å; Y291-G293 VanDerWaalsContact CE1-C 3.46Å; Y291-G293 WeakPolarHBondContact CE1-O 3.49Å; Y291-G293 VanDerWaalsContact CZ-CA 3.46Å; Y291-A294 PolarHBondContact OH-O 3.37Å; Y291-A300 WeakPolarHBondContact OH-CA 3.35Å; Y291-A300 PolarHBondContact OH-N 3.44Å; Y291-Y303 AromaticContact CD2-CD1 3.68Å; Y291-Y303 HydrophobicContact CD2-CD1 3.68Å; Y291-Y303 AromaticContact CD2-CD2 3.52Å; Y291-Y303 HydrophobicContact CD2-CD2 3.52Å; Y291-Y303 AromaticContact CD2-CE1 3.86Å; Y291-Y303 HydrophobicContact CD2-CE1 3.86Å; Y291-Y303 AromaticContact CD2-CE2 3.7Å; Y291-Y303 HydrophobicContact CD2-CE2 3.7Å; Y291-Y303 AromaticContact CD2-CG 3.48Å; Y291-Y303 HydrophobicContact CD2-CG 3.48Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.48Å; Y291-Y303 AromaticContact CD2-CZ 3.84Å; Y291-Y303 HydrophobicContact CE2-CD1 4.13Å; Y291-Y303 AromaticContact CE2-CD2 3.78Å; Y291-Y303 HydrophobicContact CE2-CD2 3.78Å; Y291-Y303 HydrophobicContact CE2-CE2 4.4Å; Y291-Y303 AromaticContact CE2-CG 3.59Å; Y291-Y303 HydrophobicContact CE2-CG 3.59Å; Y291-Y303 HydrophobicContact CG-CE1 4.48Å
292T96.4Very high96.8Very high142 Ų14254.4 Ų54.487%0.87131%0.305SS*.  trans-109.9-3.1-178.554.40000113.8E290E290-T292 PolarHBondContact O-N 2.96Å
293G95Very high96.9Very high19 Ų1956.5 Ų56.520%0.19631%0.312CS..SBendtrans-77174.3-178.500000113.9Y291 E299Y291-G293 VanDerWaalsContact CE1-C 3.46Å; Y291-G293 WeakPolarHBondContact CE1-O 3.49Å; Y291-G293 VanDerWaalsContact CZ-CA 3.46Å; G293-E299 WeakPolarHBondContact CA-OE1 3.42Å
294A95.5Very high97Very high41 Ų4154.3 Ų54.334%0.33930%0.298SS..  trans-73.7144.3175.700000111.6Y291 K296 E299Y291-A294 PolarHBondContact OH-O 3.37Å; A294-K296 HydrophobicContact CB-CD 4.46Å; A294-K296 HydrophobicContact CB-CG 4.23Å; A294-K296 PolarHBondContact O-N 2.94Å; A294-E299 VanDerWaalsContact CB-OE2 3.24Å; A294-E299 WeakPolarHBondContact CB-OE2 3.45Å; A294-E299 PolarHBondContact N-OE1 3.35Å; A294-E299 PolarHBondContact N-OE2 2.83Å
295N94.4Very high97Very high66 Ų6656.4 Ų56.435%0.35331%0.308SS..SBendtrans-74.859.6171.9-63.5-57.8000111.5I279 P283 L284I279-N295 HydrophobicContact CD1-CB 4.35Å; I279-N295 HydrophobicContact CG1-CB 4.16Å; P283-N295 WeakPolarHBondContact CA-OD1 3.35Å; L284-N295 PolarHBondContact N-OD1 3.44Å
296K95.9Very high97Very high147 Ų14756.8 Ų56.864%0.63931%0.31SS*.SBendtrans-118.2150.5174.4-68.6-175.5178.6-1790109A294 D298 A300A294-K296 HydrophobicContact CB-CD 4.46Å; A294-K296 HydrophobicContact CB-CG 4.23Å; A294-K296 PolarHBondContact O-N 2.94Å; K296-D298 PolarHBondContact O-N 3.02Å; K296-A300 WeakPolarHBondContact O-CB 3.46Å; K296-A300 PolarHBondContact O-N 2.93Å
297F96.4Very high97.1Very high40 Ų4055.6 Ų55.618%0.17530%0.302CS..Hα-helixtrans-49.9-58.8-176176.7-96.4000112.6K272 F275 E276 E299 A300 A301K272-F297 HydrophobicContact CB-CE2 3.9Å; K272-F297 HydrophobicContact CB-CZ 4.03Å; F275-F297 AromaticContact CD1-CD2 3.69Å; F275-F297 HydrophobicContact CD1-CD2 3.69Å; F275-F297 AromaticContact CD1-CE2 3.88Å; F275-F297 HydrophobicContact CD1-CE2 3.88Å; F275-F297 HydrophobicContact CE1-CD2 4.19Å; E276-F297 HydrophobicContact CB-CB 4.45Å; E276-F297 HydrophobicContact CB-CD2 3.69Å; E276-F297 HydrophobicContact CB-CE2 4.34Å; E276-F297 HydrophobicContact CB-CG 4.28Å; E276-F297 HydrophobicContact CG-CB 4.13Å; E276-F297 HydrophobicContact CG-CD2 4.2Å; E276-F297 HydrophobicContact CG-CG 4.29Å; F297-E299 PolarHBondContact O-N 3.48Å; F297-A300 PolarHBondContact O-N 3.08Å; F297-A301 HydrophobicContact CE1-CB 4.43Å; F297-A301 HydrophobicContact CE2-CB 4.25Å; F297-A301 HydrophobicContact CZ-CB 4.19Å; F297-A301 WeakPolarHBondContact O-CB 3.37Å; F297-A301 PolarHBondContact O-N 2.94Å
298D95.7Very high97.2Very high123 Ų12355.6 Ų55.666%0.65830%0.302SS*.Hα-helixtrans-56.7-52.4-172.9-61.7-38.1000112.4K296 S302K296-D298 PolarHBondContact O-N 3.02Å; D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.49Å; D298-S302 PolarHBondContact O-N 2.71Å; D298-S302 PolarHBondContact O-OG 2.55Å; D298-S302 VanDerWaalsContact O-OG 3.06Å
299E96.4Very high97.1Very high95 Ų9558 Ų5844%0.44431%0.313SS..Hα-helixtrans-69-41.5-175.8-167177174.600112.4G293 A294 F297 Y303G293-E299 WeakPolarHBondContact CA-OE1 3.42Å; A294-E299 VanDerWaalsContact CB-OE2 3.24Å; A294-E299 WeakPolarHBondContact CB-OE2 3.45Å; A294-E299 PolarHBondContact N-OE1 3.35Å; A294-E299 PolarHBondContact N-OE2 2.83Å; F297-E299 PolarHBondContact O-N 3.48Å; E299-Y303 WeakPolarHBondContact O-CB 3.31Å; E299-Y303 PolarHBondContact O-N 2.67Å
300A98.2Very high97.1Very high0 Ų057.3 Ų57.30%030%0.304CS..Hα-helixtrans-71.6-39.618000000111.8F275 I279 L284 Y291 K296 F297 Y303 I304F275-A300 HydrophobicContact CE1-CB 4.1Å; F275-A300 HydrophobicContact CZ-CB 3.74Å; I279-A300 HydrophobicContact CD1-CB 4.02Å; I279-A300 HydrophobicContact CG1-CB 3.95Å; L284-A300 HydrophobicContact CD2-CB 4.02Å; Y291-A300 WeakPolarHBondContact OH-CA 3.35Å; Y291-A300 PolarHBondContact OH-N 3.44Å; K296-A300 WeakPolarHBondContact O-CB 3.46Å; K296-A300 PolarHBondContact O-N 2.93Å; F297-A300 PolarHBondContact O-N 3.08Å; A300-Y303 PolarHBondContact O-N 2.99Å; A300-I304 WeakPolarHBondContact O-CG1 3.42Å; A300-I304 PolarHBondContact O-N 3.36Å
301A98.1Very high97.1Very high1 Ų154.4 Ų54.41%0.00829%0.291CS..Hα-helixtrans-68.4-43.3177.800000111.3F275 F297 Y303 I304 Q305 F324F275-A301 HydrophobicContact CE1-CB 3.99Å; F297-A301 HydrophobicContact CE1-CB 4.43Å; F297-A301 HydrophobicContact CE2-CB 4.25Å; F297-A301 HydrophobicContact CZ-CB 4.19Å; F297-A301 WeakPolarHBondContact O-CB 3.37Å; F297-A301 PolarHBondContact O-N 2.94Å; A301-Y303 VanDerWaalsContact C-N 3.31Å; A301-Y303 PolarHBondContact O-N 3.24Å; A301-I304 PolarHBondContact O-N 2.93Å; A301-Q305 WeakPolarHBondContact O-CB 3.27Å; A301-Q305 PolarHBondContact O-N 2.93Å; A301-F324 HydrophobicContact CB-CD1 4.37Å; A301-F324 HydrophobicContact CB-CE1 3.61Å; A301-F324 HydrophobicContact CB-CZ 4.03Å
302S98.1Very high97Very high58 Ų5854.1 Ų54.141%0.40629%0.291SS..Hα-helixtrans-61.2-39.2172.6-69.60000112.1D298 Q305 T306D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.49Å; D298-S302 PolarHBondContact O-N 2.71Å; D298-S302 PolarHBondContact O-OG 2.55Å; D298-S302 VanDerWaalsContact O-OG 3.06Å; S302-Q305 WeakPolarHBondContact O-CB 3.43Å; S302-Q305 PolarHBondContact O-N 2.91Å; S302-T306 PolarHBondContact O-N 2.87Å; S302-T306 PolarHBondContact O-OG1 2.83Å; S302-T306 VanDerWaalsContact O-OG1 3.13Å
303Y98.5Very high97Very high51 Ų5154.3 Ų54.320%0.228%0.28CS..Hα-helixtrans-61.8-47.4175.1-176.7-92000112.2L284 F288 E290 Y291 E299 A300 A301 Q305 T306 K307L284-Y303 HydrophobicContact CD2-CD1 3.9Å; F288-Y303 HydrophobicContact CB-CE1 3.87Å; F288-Y303 HydrophobicContact CD1-CE1 4.28Å; F288-Y303 HydrophobicContact CD2-CD1 4.41Å; F288-Y303 HydrophobicContact CD2-CE1 4.03Å; F288-Y303 AromaticContact CG-CE1 3.8Å; F288-Y303 HydrophobicContact CG-CE1 3.8Å; E290-Y303 WeakPolarHBondContact CG-OH 3.47Å; E290-Y303 PolarHBondContact OE1-OH 3.21Å; Y291-Y303 AromaticContact CD2-CD1 3.68Å; Y291-Y303 HydrophobicContact CD2-CD1 3.68Å; Y291-Y303 AromaticContact CD2-CD2 3.52Å; Y291-Y303 HydrophobicContact CD2-CD2 3.52Å; Y291-Y303 AromaticContact CD2-CE1 3.86Å; Y291-Y303 HydrophobicContact CD2-CE1 3.86Å; Y291-Y303 AromaticContact CD2-CE2 3.7Å; Y291-Y303 HydrophobicContact CD2-CE2 3.7Å; Y291-Y303 AromaticContact CD2-CG 3.48Å; Y291-Y303 HydrophobicContact CD2-CG 3.48Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.48Å; Y291-Y303 AromaticContact CD2-CZ 3.84Å; Y291-Y303 HydrophobicContact CE2-CD1 4.13Å; Y291-Y303 AromaticContact CE2-CD2 3.78Å; Y291-Y303 HydrophobicContact CE2-CD2 3.78Å; Y291-Y303 HydrophobicContact CE2-CE2 4.4Å; Y291-Y303 AromaticContact CE2-CG 3.59Å; Y291-Y303 HydrophobicContact CE2-CG 3.59Å; Y291-Y303 HydrophobicContact CG-CE1 4.48Å; E299-Y303 WeakPolarHBondContact O-CB 3.31Å; E299-Y303 PolarHBondContact O-N 2.67Å; A300-Y303 PolarHBondContact O-N 2.99Å; A301-Y303 VanDerWaalsContact C-N 3.31Å; A301-Y303 PolarHBondContact O-N 3.24Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.01Å; Y303-T306 PolarHBondContact O-N 3.05Å; Y303-K307 HydrophobicContact CD1-CG 4.07Å; Y303-K307 HydrophobicContact CE1-CD 4.26Å; Y303-K307 HydrophobicContact CE1-CG 3.82Å; Y303-K307 WeakPolarHBondContact O-CG 3.07Å; Y303-K307 PolarHBondContact O-N 3.44Å; Y303-K307 WeakPolarHBondContact OH-CE 3.38Å; Y303-K307 PolarHBondContact OH-NZ 3.4Å; Y303-K307 VanDerWaalsContact OH-NZ 3.15Å
304I98.6Very high96.7Very high0 Ų057 Ų570%029%0.286CS..Hα-helixtrans-60.9-43.4176.3-65.9167.7000110.4L228 M244 F275 L284 F288 A300 A301 T306 K307 F308L228-I304 HydrophobicContact CD2-CB 4.16Å; L228-I304 HydrophobicContact CD2-CD1 3.94Å; L228-I304 HydrophobicContact CD2-CG2 3.72Å; M244-I304 HydrophobicContact CE-CD1 4.27Å; M244-I304 HydrophobicContact CE-CG2 4.17Å; M244-I304 HydrophobicContact SD-CG2 4.25Å; F275-I304 HydrophobicContact CE2-CD1 3.82Å; F275-I304 HydrophobicContact CZ-CD1 3.76Å; L284-I304 HydrophobicContact CD1-CD1 3.94Å; L284-I304 HydrophobicContact CD1-CG1 4.26Å; L284-I304 HydrophobicContact CD2-CG1 4.38Å; F288-I304 HydrophobicContact CE2-CG1 4.09Å; A300-I304 WeakPolarHBondContact O-CG1 3.42Å; A300-I304 PolarHBondContact O-N 3.36Å; A301-I304 PolarHBondContact O-N 2.93Å; I304-T306 PolarHBondContact O-N 3.07Å; I304-K307 WeakPolarHBondContact O-CB 3.32Å; I304-K307 PolarHBondContact O-N 3.31Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.9Å; I304-F308 WeakPolarHBondContact O-CD2 3.28Å; I304-F308 PolarHBondContact O-N 3.27Å; I304-F308 VanDerWaalsContact O-N 3.15Å
305Q98.4Very high96.3Very high44 Ų4460.4 Ų60.421%0.20629%0.293CS..Hα-helixtrans-53.2-53.9174.8168.11737.800111.5L269 A301 S302 Y303 K307 F308 E309 T322 F324L269-Q305 HydrophobicContact CD1-CB 3.66Å; L269-Q305 HydrophobicContact CD1-CG 4.35Å; A301-Q305 WeakPolarHBondContact O-CB 3.27Å; A301-Q305 PolarHBondContact O-N 2.93Å; S302-Q305 WeakPolarHBondContact O-CB 3.43Å; S302-Q305 PolarHBondContact O-N 2.91Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.01Å; Q305-K307 VanDerWaalsContact C-N 3.27Å; Q305-K307 PolarHBondContact O-N 3.49Å; Q305-F308 PolarHBondContact O-N 3.41Å; Q305-F308 VanDerWaalsContact O-N 3.08Å; Q305-E309 HydrophobicContact CG-CG 4.37Å; Q305-E309 VanDerWaalsContact CG-OE1 3.23Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.33Å; Q305-E309 PolarHBondContact NE2-OE1 3.41Å; Q305-E309 WeakPolarHBondContact O-CG 3.19Å; Q305-E309 PolarHBondContact O-N 2.94Å; Q305-T322 HydrophobicContact CG-CG2 3.91Å; Q305-F324 HydrophobicContact CB-CZ 4.14Å; Q305-F324 VanDerWaalsContact OE1-CE2 3.31Å
306T97.8Very high95.9Very high66 Ų6665.1 Ų65.141%0.40532%0.319SS..Hα-helixtrans-58.4-40.6178.9-58.20000111.6S302 Y303 I304 F308 E309 D310S302-T306 PolarHBondContact O-N 2.87Å; S302-T306 PolarHBondContact O-OG1 2.83Å; S302-T306 VanDerWaalsContact O-OG1 3.13Å; Y303-T306 PolarHBondContact O-N 3.05Å; I304-T306 PolarHBondContact O-N 3.07Å; T306-F308 VanDerWaalsContact C-N 3.28Å; T306-F308 PolarHBondContact O-N 2.85Å; T306-E309 PolarHBondContact O-N 3.49Å; T306-D310 WeakPolarHBondContact CG2-OD2 3.39Å; T306-D310 VanDerWaalsContact O-CB 3.3Å; T306-D310 WeakPolarHBondContact O-CB 3.41Å; T306-D310 VanDerWaalsContact O-CG 3.23Å; T306-D310 PolarHBondContact O-N 2.93Å
307K98.3Very high95.3Very high51 Ų5163 Ų6322%0.22232%0.318CS..Hα-helixtrans-59.6-35.3176.8-71.7-65.9-172.2168.90113.5M248 F288 E290 Y303 I304 Q305 L311M248-K307 HydrophobicContact CE-CB 3.87Å; F288-K307 HydrophobicContact CE1-CG 4.33Å; E290-K307 IonicContact OE1-NZ 3.15Å; E290-K307 PolarHBondContact OE1-NZ 3.34Å; Y303-K307 HydrophobicContact CD1-CG 4.07Å; Y303-K307 HydrophobicContact CE1-CD 4.26Å; Y303-K307 HydrophobicContact CE1-CG 3.82Å; Y303-K307 WeakPolarHBondContact O-CG 3.07Å; Y303-K307 PolarHBondContact O-N 3.44Å; Y303-K307 WeakPolarHBondContact OH-CE 3.38Å; Y303-K307 PolarHBondContact OH-NZ 3.4Å; Y303-K307 VanDerWaalsContact OH-NZ 3.15Å; I304-K307 WeakPolarHBondContact O-CB 3.32Å; I304-K307 PolarHBondContact O-N 3.31Å; Q305-K307 VanDerWaalsContact C-N 3.27Å; Q305-K307 PolarHBondContact O-N 3.49Å; K307-L311 WeakPolarHBondContact O-CG 3.43Å
308F98.4Very high94.9Very high0 Ų061.5 Ų61.50%031%0.311CS..Hα-helixtrans-77.5-44174.6-84.3-90.2000112.1F224 V226 M244 M248 F251 L267 L269 I304 Q305 T306 D310 L311F224-F308 HydrophobicContact CE1-CE1 4.49Å; V226-F308 HydrophobicContact CB-CZ 4.26Å; V226-F308 HydrophobicContact CG1-CE1 4.39Å; V226-F308 HydrophobicContact CG1-CE2 3.77Å; V226-F308 HydrophobicContact CG1-CZ 3.57Å; V226-F308 HydrophobicContact CG2-CD1 4.12Å; V226-F308 HydrophobicContact CG2-CE1 3.55Å; V226-F308 HydrophobicContact CG2-CE2 4.19Å; V226-F308 HydrophobicContact CG2-CZ 3.6Å; M244-F308 HydrophobicContact SD-CE2 3.57Å; M244-F308 VanDerWaalsContact SD-CE2 3.57Å; M244-F308 HydrophobicContact SD-CZ 3.83Å; M248-F308 HydrophobicContact CB-CE1 4.44Å; M248-F308 HydrophobicContact CB-CZ 4.41Å; M248-F308 HydrophobicContact CG-CD1 4.45Å; M248-F308 HydrophobicContact CG-CD2 4.37Å; M248-F308 HydrophobicContact CG-CE1 3.87Å; M248-F308 HydrophobicContact CG-CE2 3.77Å; M248-F308 HydrophobicContact CG-CZ 3.48Å; M248-F308 VanDerWaalsContact CG-CZ 3.48Å; F251-F308 HydrophobicContact CB-CD1 3.84Å; F251-F308 HydrophobicContact CB-CE1 3.83Å; F251-F308 AromaticContact CD1-CD1 3.8Å; F251-F308 HydrophobicContact CD1-CD1 3.8Å; F251-F308 HydrophobicContact CD2-CD1 4.37Å; F251-F308 HydrophobicContact CE1-CD1 4.45Å; F251-F308 VanDerWaalsContact CE1-O 3.31Å; F251-F308 WeakPolarHBondContact CE1-O 3.35Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.21Å; L267-F308 HydrophobicContact CD1-CD1 4.28Å; L267-F308 HydrophobicContact CD2-CB 3.5Å; L267-F308 VanDerWaalsContact CD2-CB 3.5Å; L267-F308 HydrophobicContact CD2-CG 4.09Å; L269-F308 HydrophobicContact CD2-CD2 4.41Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.9Å; I304-F308 WeakPolarHBondContact O-CD2 3.28Å; I304-F308 PolarHBondContact O-N 3.27Å; I304-F308 VanDerWaalsContact O-N 3.15Å; Q305-F308 PolarHBondContact O-N 3.41Å; Q305-F308 VanDerWaalsContact O-N 3.08Å; T306-F308 VanDerWaalsContact C-N 3.28Å; T306-F308 PolarHBondContact O-N 2.85Å; F308-D310 PolarHBondContact O-N 3.43Å; F308-L311 HydrophobicContact CD1-CD1 4.48Å; F308-L311 WeakPolarHBondContact O-CB 3.32Å; F308-L311 PolarHBondContact O-N 3.35Å
309E97Very high94.3Very high54 Ų5461.6 Ų61.625%0.25231%0.308SS..Hα-helixtrans-61.6-33.4179.2-71.3171.9176.800112Q305 T306 L311 N312 K315 T322Q305-E309 HydrophobicContact CG-CG 4.37Å; Q305-E309 VanDerWaalsContact CG-OE1 3.23Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.33Å; Q305-E309 PolarHBondContact NE2-OE1 3.41Å; Q305-E309 WeakPolarHBondContact O-CG 3.19Å; Q305-E309 PolarHBondContact O-N 2.94Å; T306-E309 PolarHBondContact O-N 3.49Å; E309-L311 PolarHBondContact O-N 2.95Å; E309-N312 WeakPolarHBondContact O-CB 3.32Å; E309-N312 PolarHBondContact O-N 3.22Å; E309-K315 WeakPolarHBondContact O-CE 3.39Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 2.99Å
310D97Very high94.1Very high91 Ų9157.9 Ų57.949%0.48729%0.291SS..THydrogen-bonded Turntrans-69.2-16.6175.7-75.5-19.1000114.5T306 F308 N312 K315T306-D310 WeakPolarHBondContact CG2-OD2 3.39Å; T306-D310 VanDerWaalsContact O-CB 3.3Å; T306-D310 WeakPolarHBondContact O-CB 3.41Å; T306-D310 VanDerWaalsContact O-CG 3.23Å; T306-D310 PolarHBondContact O-N 2.93Å; F308-D310 PolarHBondContact O-N 3.43Å; D310-N312 PolarHBondContact O-N 3.47Å; D310-K315 IonicContact OD1-NZ 3.61Å; D310-K315 PolarHBondContact OD1-NZ 3.07Å
311L97.4Very high93.8Very high39 Ų3959.7 Ų59.720%0.20430%0.298CS..THydrogen-bonded Turntrans-75.3-13.6174.3-62.8171000112.5M248 F251 D252 N256 K307 F308 E309 K313M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.13Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.4Å; F251-L311 HydrophobicContact CD1-CB 4.05Å; F251-L311 HydrophobicContact CD1-CD1 3.97Å; F251-L311 HydrophobicContact CE1-CB 4.4Å; D252-L311 HydrophobicContact CB-CB 4.39Å; D252-L311 HydrophobicContact CB-CD1 4.44Å; D252-L311 HydrophobicContact CB-CD2 4.32Å; N256-L311 PolarHBondContact ND2-O 2.88Å; K307-L311 WeakPolarHBondContact O-CG 3.43Å; F308-L311 HydrophobicContact CD1-CD1 4.48Å; F308-L311 WeakPolarHBondContact O-CB 3.32Å; F308-L311 PolarHBondContact O-N 3.35Å; E309-L311 PolarHBondContact O-N 2.95Å; L311-K313 PolarHBondContact O-N 3.27Å
312N96.1Very high93.7Very high9 Ų960.9 Ų60.95%0.04831%0.305CS..  trans-74.1112174.8-175.87.4000111E309 D310 K314 K315 K318 I320E309-N312 WeakPolarHBondContact O-CB 3.32Å; E309-N312 PolarHBondContact O-N 3.22Å; D310-N312 PolarHBondContact O-N 3.47Å; N312-K314 VanDerWaalsContact C-N 3.27Å; N312-K314 PolarHBondContact O-N 3.15Å; N312-K314 PolarHBondContact OD1-N 3.2Å; N312-K315 HydrophobicContact CB-CG 4.29Å; N312-K315 VanDerWaalsContact O-CG 3.26Å; N312-K315 WeakPolarHBondContact O-CG 3.43Å; N312-K318 PolarHBondContact ND2-O 2.99Å; N312-I320 HydrophobicContact CB-CD1 3.59Å
313K94.8Very high93.6Very high146 Ų14660.3 Ų60.364%0.63530%0.296SS*.THydrogen-bonded Turntrans-83.3-4.1179.5-62.3169-171.2153.80112.8D252 N256 L311D252-K313 WeakPolarHBondContact OD1-CE 3.13Å; D252-K313 IonicContact OD1-NZ 3.34Å; D252-K313 PolarHBondContact OD1-NZ 3.13Å; D252-K313 IonicContact OD2-NZ 3.58Å; D252-K313 PolarHBondContact OD2-NZ 2.94Å; N256-K313 HydrophobicContact CB-CD 4.48Å; N256-K313 WeakPolarHBondContact OD1-CB 3.37Å; N256-K313 PolarHBondContact OD1-N 3.06Å; N256-K313 VanDerWaalsContact OD1-N 3.13Å; L311-K313 PolarHBondContact O-N 3.27Å
314K90.2Very high93.6Very high74 Ų7460.5 Ų60.532%0.32230%0.298SS..THydrogen-bonded Turntrans-123.243.8-176.8-61.8-175.7-179.4-179.70111.5T261 N312 D316 T317 K318T261-K314 HydrophobicContact CG2-CD 4.5Å; T261-K314 PolarHBondContact OG1-NZ 3.15Å; N312-K314 VanDerWaalsContact C-N 3.27Å; N312-K314 PolarHBondContact O-N 3.15Å; N312-K314 PolarHBondContact OD1-N 3.2Å; K314-D316 PolarHBondContact O-N 2.99Å; K314-D316 VanDerWaalsContact O-N 3.08Å; K314-T317 PolarHBondContact O-N 2.71Å; K314-K318 HydrophobicContact CB-CB 4.3Å; K314-K318 PolarHBondContact O-N 2.92Å
315K86.5Confident93.5Very high113 Ų11360.5 Ų60.549%0.49130%0.298SS..THydrogen-bonded Turntrans-54.9-30-176-61.5-167176.1-172.80113.5E309 D310 N312E309-K315 WeakPolarHBondContact O-CE 3.39Å; D310-K315 IonicContact OD1-NZ 3.61Å; D310-K315 PolarHBondContact OD1-NZ 3.07Å; N312-K315 HydrophobicContact CB-CG 4.29Å; N312-K315 VanDerWaalsContact O-CG 3.26Å; N312-K315 WeakPolarHBondContact O-CG 3.43Å
316D85.3Confident93.4Very high166 Ų16658.9 Ų58.989%0.88829%0.291SS*.THydrogen-bonded Turntrans-75-23.4-178.6-54.5-41.6000113.8K314K314-D316 PolarHBondContact O-N 2.99Å; K314-D316 VanDerWaalsContact O-N 3.08Å
317T84.7Confident93.4Very high101 Ų10155.9 Ų55.962%0.6227%0.273SS*.THydrogen-bonded Turntrans-121.2-12.5-17468.60000113.4K314K314-T317 PolarHBondContact O-N 2.71Å
318K86.6Confident93.3Very high10 Ų1054.9 Ų54.94%0.04327%0.271CS..  trans-136.3113.9-176.1-177.3172.6-177.6170.50109.6C255 F260 T263 I265 N312 K314C255-K318 PolarHBondContact O-NZ 2.78Å; F260-K318 PolarHBondContact O-NZ 3.05Å; T263-K318 VanDerWaalsContact O-CE 3.22Å; T263-K318 WeakPolarHBondContact O-CE 3.41Å; T263-K318 PolarHBondContact O-NZ 2.89Å; I265-K318 VanDerWaalsContact CD1-CE 3.42Å; N312-K318 PolarHBondContact ND2-O 2.99Å; K314-K318 HydrophobicContact CB-CB 4.3Å; K314-K318 PolarHBondContact O-N 2.92Å
319E84.1Confident93.2Very high124 Ų12458.1 Ų58.158%0.57929%0.289SS*.  trans-88.9142.4174.5-166.9169.7-174.400110.6Y321E319-Y321 HydrophobicContact CB-CE2 4.47Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 4.01Å; E319-Y321 PolarHBondContact OE2-OH 3.05Å
320I91.9Very high93.1Very high17 Ų1757.5 Ų57.59%0.08729%0.289CS..EExtended strand (participates in β ladder)trans-106.1120.7170.6-65.6164.4000107.6F251 I265 L267 N312 T322F251-I320 HydrophobicContact CE1-CD1 3.81Å; F251-I320 HydrophobicContact CZ-CD1 3.57Å; F251-I320 HydrophobicContact CZ-CG1 4.24Å; F251-I320 HydrophobicContact CZ-CG2 4.4Å; I265-I320 WeakPolarHBondContact O-CA 3.21Å; L267-I320 HydrophobicContact CB-CG2 3.6Å; L267-I320 HydrophobicContact CD2-CG2 4.3Å; N312-I320 HydrophobicContact CB-CD1 3.59Å; I320-T322 PolarHBondContact O-N 2.65Å
321Y92.6Very high93Very high39 Ų3961.2 Ų61.215%0.15330%0.301CS..EExtended strand (participates in β ladder)trans-90.5101.1177.9-57.8-76.5000109.9I265 I266 L267 E319 V343 N347I265-Y321 PolarHBondContact O-N 3.04Å; I266-Y321 CarbonylContact C-O 3.59Å; I266-Y321 WeakPolarHBondContact CA-O 3.41Å; I266-Y321 WeakPolarHBondContact CG2-O 2.95Å; L267-Y321 PolarHBondContact N-O 2.8Å; E319-Y321 HydrophobicContact CB-CE2 4.47Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 4.01Å; E319-Y321 PolarHBondContact OE2-OH 3.05Å; Y321-V343 HydrophobicContact CD1-CG1 3.9Å; Y321-V343 HydrophobicContact CD2-CG1 4.47Å; Y321-V343 HydrophobicContact CE1-CG1 3.39Å; Y321-V343 HydrophobicContact CE2-CG1 4.02Å; Y321-V343 HydrophobicContact CG-CG1 4.4Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.43Å; Y321-N347 PolarHBondContact OH-ND2 2.86Å
322T95.6Very high92.9Very high26 Ų2660.4 Ų60.416%0.1630%0.296CS..EExtended strand (participates in β ladder)trans-91.9132-175.6-53.10000112.3L267 L269 Q305 E309 I320L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 4.03Å; L267-T322 HydrophobicContact CG-CG2 4.27Å; L267-T322 CarbonylContact O-C 3.6Å; L267-T322 WeakPolarHBondContact O-CA 3.37Å; L269-T322 HydrophobicContact CD1-CG2 3.59Å; L269-T322 HydrophobicContact CG-CG2 3.86Å; Q305-T322 HydrophobicContact CG-CG2 3.91Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 2.99Å; I320-T322 PolarHBondContact O-N 2.65Å
323H96.2Very high92.8Very high45 Ų4560.1 Ų60.121%0.20830%0.295CS..EExtended strand (participates in β ladder)trans-134134.3174.5-66.7-86.8000112L267 F268 L269 T325 V336L267-H323 PolarHBondContact O-N 3.18Å; F268-H323 HydrophobicContact CD1-CB 4.14Å; F268-H323 HydrophobicContact CE1-CB 4.27Å; L269-H323 PolarHBondContact N-O 2.88Å; H323-T325 HydrophobicContact CB-CG2 4.32Å; H323-V336 HydrophobicContact CB-CG1 3.64Å; H323-V336 HydrophobicContact CB-CG2 4.23Å
324F97.2Very high92.7Very high55 Ų5557.1 Ų57.124%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-80118.2169.4-65.7-77.2000110.3L228 L269 K272 A301 Q305L228-F324 HydrophobicContact CD1-CD1 3.92Å; L228-F324 HydrophobicContact CD1-CE1 4.22Å; L269-F324 HydrophobicContact CB-CD1 3.79Å; L269-F324 HydrophobicContact CB-CE1 4Å; L269-F324 HydrophobicContact CD1-CD1 4.04Å; L269-F324 HydrophobicContact CD1-CE1 3.41Å; L269-F324 VanDerWaalsContact CD1-CE1 3.41Å; L269-F324 HydrophobicContact CD1-CZ 3.81Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.49Å; K272-F324 HydrophobicContact CD-CB 4.11Å; A301-F324 HydrophobicContact CB-CD1 4.37Å; A301-F324 HydrophobicContact CB-CE1 3.61Å; A301-F324 HydrophobicContact CB-CZ 4.03Å; Q305-F324 HydrophobicContact CB-CZ 4.14Å; Q305-F324 VanDerWaalsContact OE1-CE2 3.31Å
325T97.4Very high92.7Very high1 Ų160.6 Ų60.61%0.00630%0.298CS..  trans-121.2149-172.253.20000112.6F268 L269 N270 K271 K272 H323 N332 V336F268-T325 HydrophobicContact CB-CG2 4.29Å; F268-T325 HydrophobicContact CD1-CG2 3.97Å; F268-T325 HydrophobicContact CD2-CG2 4.18Å; F268-T325 HydrophobicContact CE1-CG2 4.32Å; F268-T325 HydrophobicContact CG-CG2 3.89Å; L269-T325 PolarHBondContact O-N 3.29Å; N270-T325 CarbonylContact C-O 3.58Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.34Å; N270-T325 WeakPolarHBondContact CA-OG1 3.31Å; N270-T325 WeakPolarHBondContact CB-OG1 3.2Å; N270-T325 PolarHBondContact N-OG1 3.14Å; N270-T325 PolarHBondContact OD1-O 2.86Å; N270-T325 PolarHBondContact OD1-OG1 3.39Å; K271-T325 PolarHBondContact N-O 3.18Å; K271-T325 VanDerWaalsContact N-O 3.09Å; K272-T325 WeakPolarHBondContact CG-O 3.49Å; K272-T325 PolarHBondContact N-O 3Å; H323-T325 HydrophobicContact CB-CG2 4.32Å; T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.44Å; T325-V336 HydrophobicContact CG2-CB 4.35Å; T325-V336 HydrophobicContact CG2-CG1 3.93Å; T325-V336 HydrophobicContact CG2-CG2 4.1Å
326C97.2Very high92.8Very high9 Ų955.4 Ų55.46%0.06128%0.276CS..  trans-121.199.2159.5176.50000106.6K272 D273 T328 D329 N332K272-C326 HydrophobicContact CG-CB 4.25Å; D273-C326 VanDerWaalsContact CG-SG 3.57Å; C326-T328 PolarHBondContact O-N 2.93Å; C326-T328 PolarHBondContact SG-OG1 3.39Å; C326-T328 VanDerWaalsContact SG-OG1 3.36Å; C326-D329 HydrophobicContact CB-CB 3.99Å; C326-D329 PolarHBondContact O-N 3.47Å; C326-N332 PolarHBondContact N-OD1 3.04Å
327A96.5Very high92.9Very high4 Ų447.5 Ų47.53%0.03323%0.234CC..THydrogen-bonded Turntrans-62.4-15.6-176.500000113.5T48 I49 Q52 N270T48-A327 HydrophobicContact CG2-CB 3.7Å; T48-A327 VanDerWaalsContact CG2-O 3.31Å; T48-A327 WeakPolarHBondContact CG2-O 3.48Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.17Å; Q52-A327 WeakPolarHBondContact CG-O 3.31Å; Q52-A327 PolarHBondContact NE2-O 3.34Å; N270-A327 WeakPolarHBondContact ND2-CB 3.07Å; N270-A327 WeakPolarHBondContact OD1-CB 3.39Å; N270-A327 PolarHBondContact OD1-N 2.92Å
328T95.9Very high93Very high29 Ų2944.9 Ų44.918%0.17822%0.216CC..THydrogen-bonded Turntrans-91.2-0.4174.569.60000113.8T48 Q173 R177 C326T48-T328 HydrophobicContact CG2-CG2 4.3Å; Q173-T328 PolarHBondContact NE2-O 3.42Å; Q173-T328 VanDerWaalsContact NE2-O 3.15Å; Q173-T328 PolarHBondContact OE1-O 3.49Å; R177-T328 HydrophobicContact CG-CG2 4.14Å; R177-T328 PolarHBondContact NH2-OG1 3.09Å; C326-T328 PolarHBondContact O-N 2.93Å; C326-T328 PolarHBondContact SG-OG1 3.39Å; C326-T328 VanDerWaalsContact SG-OG1 3.36Å
329D96.9Very high92.9Very high68 Ų6845.9 Ų45.936%0.36423%0.227SC..  trans-106104.6172.5176.6-5.4000109.5C326 K331 N332 V333C326-D329 HydrophobicContact CB-CB 3.99Å; C326-D329 PolarHBondContact O-N 3.47Å; D329-K331 VanDerWaalsContact C-N 3.3Å; D329-K331 PolarHBondContact O-N 2.95Å; D329-K331 PolarHBondContact OD1-N 2.96Å; D329-N332 HydrophobicContact CB-CB 3.91Å; D329-N332 PolarHBondContact O-N 3.09Å; D329-N332 PolarHBondContact OD1-N 2.85Å; D329-N332 WeakPolarHBondContact OD2-CB 3.42Å; D329-V333 WeakPolarHBondContact O-CG2 3.5Å; D329-V333 PolarHBondContact O-N 3.1Å
330T95.8Very high92.8Very high42 Ų4240.3 Ų40.326%0.25820%0.201SC..Hα-helixtrans-59.1-38-178.1-58.10000112.8Q52 I55 I56 V333 Q334Q52-T330 PolarHBondContact NE2-OG1 3.5Å; Q52-T330 PolarHBondContact OE1-OG1 2.89Å; I55-T330 HydrophobicContact CG2-CG2 3.94Å; I56-T330 HydrophobicContact CD1-CG2 4.23Å; I56-T330 HydrophobicContact CG1-CG2 3.73Å; T330-V333 PolarHBondContact O-N 3.39Å; T330-Q334 WeakPolarHBondContact O-CB 3.26Å; T330-Q334 PolarHBondContact O-N 3.15Å
331K94.7Very high92.2Very high169 Ų16939.7 Ų39.774%0.73520%0.198SC*.Hα-helixtrans-68.7-40.7179.9-69.5-179.2179.2177.70111D329 F335D329-K331 VanDerWaalsContact C-N 3.3Å; D329-K331 PolarHBondContact O-N 2.95Å; D329-K331 PolarHBondContact OD1-N 2.96Å; K331-F335 WeakPolarHBondContact O-CB 3.3Å; K331-F335 PolarHBondContact O-N 3.34Å
332N94.3Very high91.5Very high21 Ų2140.9 Ų40.911%0.11221%0.207CC..Hα-helixtrans-63.8-44.4176.7177.4-112000111.6T325 C326 D329 V336T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.44Å; C326-N332 PolarHBondContact N-OD1 3.04Å; D329-N332 HydrophobicContact CB-CB 3.91Å; D329-N332 PolarHBondContact O-N 3.09Å; D329-N332 PolarHBondContact OD1-N 2.85Å; D329-N332 WeakPolarHBondContact OD2-CB 3.42Å; N332-V336 WeakPolarHBondContact O-CB 3.39Å; N332-V336 VanDerWaalsContact O-CG2 3.27Å; N332-V336 WeakPolarHBondContact O-CG2 3.36Å; N332-V336 PolarHBondContact O-N 2.95Å
333V93.8Very high90.4Very high3 Ų342.3 Ų42.32%0.01822%0.215CC..Hα-helixtrans-66.2-43178.3176.70000111.6I49 Q52 M53 I56 D329 T330 V336 F337I49-V333 HydrophobicContact CD1-CG1 4.16Å; I49-V333 HydrophobicContact CD1-CG2 3.94Å; Q52-V333 HydrophobicContact CB-CB 4.36Å; Q52-V333 HydrophobicContact CB-CG1 3.79Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.2Å; Q52-V333 HydrophobicContact CG-CG2 4.14Å; M53-V333 HydrophobicContact CE-CG1 3.72Å; I56-V333 HydrophobicContact CD1-CB 4.15Å; I56-V333 HydrophobicContact CD1-CG1 3.9Å; D329-V333 WeakPolarHBondContact O-CG2 3.5Å; D329-V333 PolarHBondContact O-N 3.1Å; T330-V333 PolarHBondContact O-N 3.39Å; V333-V336 PolarHBondContact O-N 3.44Å; V333-F337 VanDerWaalsContact O-CB 3.29Å; V333-F337 WeakPolarHBondContact O-CB 3.29Å; V333-F337 PolarHBondContact O-N 3.21Å
334Q92.8Very high89.1Confident84 Ų8440.4 Ų40.439%0.39321%0.207SC..Hα-helixtrans-57.5-51.6176.4-177.4173.223.100111.4I56 T330 V336 F337 D338I56-Q334 HydrophobicContact CD1-CB 3.93Å; I56-Q334 HydrophobicContact CG1-CB 4.34Å; I56-Q334 HydrophobicContact CG2-CB 4.02Å; I56-Q334 HydrophobicContact CG2-CG 3.73Å; T330-Q334 WeakPolarHBondContact O-CB 3.26Å; T330-Q334 PolarHBondContact O-N 3.15Å; Q334-V336 VanDerWaalsContact C-N 3.34Å; Q334-V336 PolarHBondContact O-N 3.39Å; Q334-F337 PolarHBondContact O-N 3.22Å; Q334-D338 WeakPolarHBondContact O-CB 3.24Å; Q334-D338 PolarHBondContact O-N 2.83Å
335F90.3Very high87.7Confident146 Ų14638.9 Ų38.964%0.6420%0.201SC*.Hα-helixtrans-58.8-44.4179175.6-96.1000112.6K331 A339K331-F335 WeakPolarHBondContact O-CB 3.3Å; K331-F335 PolarHBondContact O-N 3.34Å; F335-A339 PolarHBondContact O-N 2.93Å; F335-A339 VanDerWaalsContact O-N 3.12Å
336V88.8Confident86.1Confident4 Ų445 Ų452%0.02423%0.228CC..Hα-helixtrans-67.2-41.9179.7170.20000110.8F268 H323 T325 N332 V333 Q334 A339 V340F268-V336 HydrophobicContact CD1-CG1 4.19Å; F268-V336 HydrophobicContact CE1-CG1 3.32Å; F268-V336 HydrophobicContact CZ-CG1 3.57Å; H323-V336 HydrophobicContact CB-CG1 3.64Å; H323-V336 HydrophobicContact CB-CG2 4.23Å; T325-V336 HydrophobicContact CG2-CB 4.35Å; T325-V336 HydrophobicContact CG2-CG1 3.93Å; T325-V336 HydrophobicContact CG2-CG2 4.1Å; N332-V336 WeakPolarHBondContact O-CB 3.39Å; N332-V336 VanDerWaalsContact O-CG2 3.27Å; N332-V336 WeakPolarHBondContact O-CG2 3.36Å; N332-V336 PolarHBondContact O-N 2.95Å; V333-V336 PolarHBondContact O-N 3.44Å; Q334-V336 VanDerWaalsContact C-N 3.34Å; Q334-V336 PolarHBondContact O-N 3.39Å; V336-A339 PolarHBondContact O-N 3.13Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 WeakPolarHBondContact O-CB 3.39Å; V336-V340 WeakPolarHBondContact O-CG2 3.4Å; V336-V340 PolarHBondContact O-N 3.29Å
337F87.8Confident84.6Confident1 Ų147.6 Ų47.60%0.00424%0.241CC..Hα-helixtrans-67.2-38.6179.3-164.4-95.8000112.1L36 M53 H57 F190 F192 F197 M199 V333 Q334 V340 T341L36-F337 HydrophobicContact CD1-CE2 3.76Å; L36-F337 HydrophobicContact CD1-CZ 3.79Å; M53-F337 HydrophobicContact CE-CB 4.41Å; M53-F337 HydrophobicContact CE-CD2 4.01Å; M53-F337 HydrophobicContact CE-CG 4.12Å; M53-F337 HydrophobicContact SD-CD1 4.22Å; M53-F337 HydrophobicContact SD-CD2 3.72Å; M53-F337 HydrophobicContact SD-CE1 4.16Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 4.02Å; M53-F337 HydrophobicContact SD-CZ 3.89Å; H57-F337 AromaticContact NE2-CD1 3.39Å; H57-F337 WeakPolarHBondContact NE2-CD1 3.4Å; H57-F337 AromaticContact NE2-CE1 3.73Å; F190-F337 AromaticContact CE2-CE1 3.87Å; F190-F337 HydrophobicContact CE2-CE1 3.87Å; F190-F337 AromaticContact CE2-CZ 3.87Å; F190-F337 HydrophobicContact CE2-CZ 3.87Å; F190-F337 HydrophobicContact CZ-CE1 4.1Å; F190-F337 HydrophobicContact CZ-CE2 4.39Å; F190-F337 AromaticContact CZ-CZ 3.62Å; F190-F337 HydrophobicContact CZ-CZ 3.62Å; F192-F337 HydrophobicContact CD1-CD1 4.35Å; F192-F337 HydrophobicContact CD1-CE1 4.06Å; F192-F337 HydrophobicContact CE1-CD1 4.39Å; F197-F337 HydrophobicContact CD1-CZ 4.13Å; F197-F337 HydrophobicContact CE1-CE1 4.36Å; F197-F337 AromaticContact CE1-CZ 3.92Å; F197-F337 HydrophobicContact CE1-CZ 3.92Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.36Å; M199-F337 HydrophobicContact CE-CE2 3.93Å; M199-F337 HydrophobicContact CE-CZ 4.46Å; V333-F337 VanDerWaalsContact O-CB 3.29Å; V333-F337 WeakPolarHBondContact O-CB 3.29Å; V333-F337 PolarHBondContact O-N 3.21Å; Q334-F337 PolarHBondContact O-N 3.22Å; F337-V340 PolarHBondContact O-N 3.44Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.49Å; F337-T341 VanDerWaalsContact O-CB 3.25Å; F337-T341 WeakPolarHBondContact O-CB 3.48Å; F337-T341 PolarHBondContact O-N 3.49Å; F337-T341 PolarHBondContact O-OG1 3Å
338D87.6Confident83Confident46 Ų4649.6 Ų49.625%0.24625%0.251CS..Hα-helixtrans-60.5-45.7174-70.3-11.1000111.4F192 Q334 T341 D342F192-D338 WeakPolarHBondContact CZ-OD1 3.47Å; Q334-D338 WeakPolarHBondContact O-CB 3.24Å; Q334-D338 PolarHBondContact O-N 2.83Å; D338-T341 WeakPolarHBondContact O-CB 3.33Å; D338-T341 PolarHBondContact O-N 3.22Å; D338-D342 PolarHBondContact O-N 3.2Å
339A83.4Confident81.2Confident31 Ų3150.1 Ų50.126%0.25625%0.252SS..Hα-helixtrans-64.3-44.417800000112.1F335 V336 D342 V343F335-A339 PolarHBondContact O-N 2.93Å; F335-A339 VanDerWaalsContact O-N 3.12Å; V336-A339 PolarHBondContact O-N 3.13Å; A339-D342 PolarHBondContact O-N 3.13Å; A339-V343 WeakPolarHBondContact O-CG2 3.18Å; A339-V343 PolarHBondContact O-N 2.89Å
340V81.4Confident79.5Confident6 Ų653.5 Ų53.54%0.03626%0.264CS..Hα-helixtrans-61.5-45.8176.9163.50000111.3I266 F268 V336 F337 D342 V343 I344I266-V340 HydrophobicContact CD1-CG1 3.26Å; I266-V340 HydrophobicContact CD1-CG2 4.47Å; I266-V340 HydrophobicContact CG1-CG1 3.76Å; I266-V340 HydrophobicContact CG1-CG2 4.3Å; I266-V340 HydrophobicContact CG2-CG1 4.47Å; I266-V340 HydrophobicContact CG2-CG2 3.63Å; F268-V340 HydrophobicContact CE1-CG2 4.18Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 WeakPolarHBondContact O-CB 3.39Å; V336-V340 WeakPolarHBondContact O-CG2 3.4Å; V336-V340 PolarHBondContact O-N 3.29Å; F337-V340 PolarHBondContact O-N 3.44Å; V340-D342 VanDerWaalsContact C-N 3.33Å; V340-D342 PolarHBondContact O-N 3.47Å; V340-V343 PolarHBondContact O-N 3.49Å; V340-I344 HydrophobicContact CG1-CD1 3.67Å; V340-I344 WeakPolarHBondContact O-CB 3.44Å; V340-I344 WeakPolarHBondContact O-CG1 3.39Å; V340-I344 PolarHBondContact O-N 3.2Å
341T79.8Confident77.6Confident5 Ų558 Ų583%0.03129%0.286CS..Hα-helixtrans-55.3-50.9176.1-660000109.4F192 K193 F197 F337 D338 V343 I344 I345F192-T341 HydrophobicContact CD1-CG2 3.83Å; F192-T341 HydrophobicContact CE1-CG2 3.59Å; K193-T341 HydrophobicContact CD-CG2 4.24Å; F197-T341 HydrophobicContact CZ-CG2 4.35Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.49Å; F337-T341 VanDerWaalsContact O-CB 3.25Å; F337-T341 WeakPolarHBondContact O-CB 3.48Å; F337-T341 PolarHBondContact O-N 3.49Å; F337-T341 PolarHBondContact O-OG1 3Å; D338-T341 WeakPolarHBondContact O-CB 3.33Å; D338-T341 PolarHBondContact O-N 3.22Å; T341-V343 VanDerWaalsContact C-N 3.3Å; T341-V343 PolarHBondContact O-N 2.92Å; T341-I344 PolarHBondContact O-N 3.24Å; T341-I345 HydrophobicContact CG2-CD1 3.22Å; T341-I345 HydrophobicContact CG2-CG1 4.47Å; T341-I345 WeakPolarHBondContact O-CB 3.45Å; T341-I345 PolarHBondContact O-N 3.43Å
342D79.1Confident75.5Confident64 Ų6454.4 Ų54.434%0.34228%0.281SS..Hα-helixtrans-62.8-34.1-176.8-76.6-10.8000113.5K193 D338 A339 V340 K346K193-D342 IonicContact NZ-OD1 2.59Å; K193-D342 PolarHBondContact NZ-OD1 2.96Å; K193-D342 IonicContact NZ-OD2 3.09Å; D338-D342 PolarHBondContact O-N 3.2Å; A339-D342 PolarHBondContact O-N 3.13Å; V340-D342 VanDerWaalsContact C-N 3.33Å; V340-D342 PolarHBondContact O-N 3.47Å; D342-K346 VanDerWaalsContact O-CB 3.23Å; D342-K346 WeakPolarHBondContact O-CB 3.3Å; D342-K346 WeakPolarHBondContact O-CD 3.43Å; D342-K346 WeakPolarHBondContact O-CG 3.44Å; D342-K346 PolarHBondContact O-N 3.41Å
343V71.9Confident73.2Confident55 Ų5556.5 Ų56.533%0.33331%0.308SS..Hα-helixtrans-77.2-48.9179.5172.80000111.3Y321 A339 V340 T341 N347Y321-V343 HydrophobicContact CD1-CG1 3.9Å; Y321-V343 HydrophobicContact CD2-CG1 4.47Å; Y321-V343 HydrophobicContact CE1-CG1 3.39Å; Y321-V343 HydrophobicContact CE2-CG1 4.02Å; Y321-V343 HydrophobicContact CG-CG1 4.4Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.43Å; A339-V343 WeakPolarHBondContact O-CG2 3.18Å; A339-V343 PolarHBondContact O-N 2.89Å; V340-V343 PolarHBondContact O-N 3.49Å; T341-V343 VanDerWaalsContact C-N 3.3Å; T341-V343 PolarHBondContact O-N 2.92Å; V343-N347 PolarHBondContact O-N 2.78Å; V343-N347 PolarHBondContact O-ND2 3.5Å
344I69.6Low71.1Confident6 Ų661 Ų613%0.03133%0.331CS..Hα-helixtrans-76.1-37.5-171.4-69178.3000111.6T220 A221 I266 V340 T341 N347 N348T220-I344 HydrophobicContact CG2-CG2 4.44Å; A221-I344 HydrophobicContact CB-CD1 3.73Å; A221-I344 HydrophobicContact CB-CG2 3.94Å; I266-I344 HydrophobicContact CD1-CD1 3.31Å; I266-I344 HydrophobicContact CG1-CD1 3.41Å; I266-I344 VanDerWaalsContact CG1-CD1 3.41Å; V340-I344 HydrophobicContact CG1-CD1 3.67Å; V340-I344 WeakPolarHBondContact O-CB 3.44Å; V340-I344 WeakPolarHBondContact O-CG1 3.39Å; V340-I344 PolarHBondContact O-N 3.2Å; T341-I344 PolarHBondContact O-N 3.24Å; I344-N347 PolarHBondContact O-N 2.7Å; I344-N348 VanDerWaalsContact CG2-ND2 3.28Å; I344-N348 WeakPolarHBondContact CG2-ND2 3.38Å; I344-N348 WeakPolarHBondContact O-CB 3.24Å; I344-N348 PolarHBondContact O-N 3.15Å; I344-N348 PolarHBondContact O-ND2 3.45Å
345I66.9Low68.6Low23 Ų2367.6 Ų67.612%0.11836%0.359CS..Hα-helixtrans-75.3-35.5-180-72.8157.1000110V34 L195 F197 T341 N347 L349V34-I345 HydrophobicContact CG2-CG1 4.49Å; L195-I345 HydrophobicContact CD1-CB 4.26Å; L195-I345 HydrophobicContact CD1-CD1 3.24Å; L195-I345 HydrophobicContact CD1-CG1 3.73Å; L195-I345 HydrophobicContact CD1-CG2 3.57Å; F197-I345 HydrophobicContact CE1-CD1 4.39Å; F197-I345 HydrophobicContact CZ-CD1 3.67Å; T341-I345 HydrophobicContact CG2-CD1 3.22Å; T341-I345 HydrophobicContact CG2-CG1 4.47Å; T341-I345 WeakPolarHBondContact O-CB 3.45Å; T341-I345 PolarHBondContact O-N 3.43Å; I345-N347 VanDerWaalsContact C-N 3.31Å; I345-N347 PolarHBondContact O-N 3.32Å; I345-L349 HydrophobicContact CG2-CD1 3.3Å; I345-L349 HydrophobicContact CG2-CG 3.77Å; I345-L349 WeakPolarHBondContact O-CB 3.46Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.4Å
346K64.5Low67.5Low130 Ų13063.7 Ų63.757%0.56535%0.345SS*.Hα-helixtrans-63.3-37.4173-77.9178.6-172.3169.30112.8D342 K350D342-K346 VanDerWaalsContact O-CB 3.23Å; D342-K346 WeakPolarHBondContact O-CB 3.3Å; D342-K346 WeakPolarHBondContact O-CD 3.43Å; D342-K346 WeakPolarHBondContact O-CG 3.44Å; D342-K346 PolarHBondContact O-N 3.41Å; K346-K350 WeakPolarHBondContact O-CD 3.07Å; K346-K350 VanDerWaalsContact O-CG 3.27Å; K346-K350 WeakPolarHBondContact O-CG 3.38Å; K346-K350 PolarHBondContact O-N 3.01Å
347N64.8Low66.4Low63 Ų6366.8 Ų66.834%0.33736%0.362SS..Hα-helixtrans-77.2-46.4-179.4-70.4-14.8000111.5Y321 V343 I344 I345 K350 D351Y321-N347 PolarHBondContact OH-ND2 2.86Å; V343-N347 PolarHBondContact O-N 2.78Å; V343-N347 PolarHBondContact O-ND2 3.5Å; I344-N347 PolarHBondContact O-N 2.7Å; I345-N347 VanDerWaalsContact C-N 3.31Å; I345-N347 PolarHBondContact O-N 3.32Å; N347-K350 PolarHBondContact O-N 2.94Å; N347-D351 PolarHBondContact O-N 3.43Å
348N62.1Low65.2Low45 Ų4570.4 Ų70.424%0.24138%0.382CS..Hα-helixtrans-71-34179.1-73.2-60.3000113.5T220 I344 K350 D351 C352T220-N348 HydrophobicContact CG2-CB 4.35Å; T220-N348 WeakPolarHBondContact CG2-ND2 3.33Å; I344-N348 VanDerWaalsContact CG2-ND2 3.28Å; I344-N348 WeakPolarHBondContact CG2-ND2 3.38Å; I344-N348 WeakPolarHBondContact O-CB 3.24Å; I344-N348 PolarHBondContact O-N 3.15Å; I344-N348 PolarHBondContact O-ND2 3.45Å; N348-K350 VanDerWaalsContact C-N 3.32Å; N348-K350 PolarHBondContact O-N 3.42Å; N348-D351 PolarHBondContact O-N 2.94Å; N348-C352 PolarHBondContact O-N 2.89Å; N348-C352 PolarHBondContact O-SG 2.92Å
349L59.4Low63.9Low41 Ų4171.9 Ų71.922%0.21539%0.389CS..Hα-helixtrans-68.1-31175.6-72.2176.7000112.7I345 G353 L354 F355I345-L349 HydrophobicContact CG2-CD1 3.3Å; I345-L349 HydrophobicContact CG2-CG 3.77Å; I345-L349 WeakPolarHBondContact O-CB 3.46Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.4Å; L349-G353 PolarHBondContact O-N 3.29Å; L349-L354 HydrophobicContact CD2-CB 3.96Å; L349-L354 HydrophobicContact CD2-CD1 3.85Å; L349-L354 PolarHBondContact O-N 3.44Å; L349-F355 HydrophobicContact CD1-CD2 4.3Å
350K59.9Low62.7Low139 Ų13974.4 Ų74.460%0.60440%0.398SS*.Hα-helixtrans-65.1-43.7171.1-79.1176.2-179.6-179.60111.1K346 N347 N348 C352 G353K346-K350 WeakPolarHBondContact O-CD 3.07Å; K346-K350 VanDerWaalsContact O-CG 3.27Å; K346-K350 WeakPolarHBondContact O-CG 3.38Å; K346-K350 PolarHBondContact O-N 3.01Å; N347-K350 PolarHBondContact O-N 2.94Å; N348-K350 VanDerWaalsContact C-N 3.32Å; N348-K350 PolarHBondContact O-N 3.42Å; K350-C352 VanDerWaalsContact C-N 3.27Å; K350-C352 PolarHBondContact O-N 3.41Å; K350-G353 PolarHBondContact O-N 3.37Å; K350-G353 VanDerWaalsContact O-N 3.1Å
351D56.2Low61.5Low137 Ų13779 Ų7973%0.73342%0.422SS*.Hα-helixtrans-68-27.8-179.8-67.4-20.1000112.7N347 N348N347-D351 PolarHBondContact O-N 3.43Å; N348-D351 PolarHBondContact O-N 2.94Å
352C50.8Low60.2Low92 Ų9284.3 Ų84.362%0.62245%0.45SS*.THydrogen-bonded Turntrans-870.1173.1-64.80000114.5N348 K350 L354N348-C352 PolarHBondContact O-N 2.89Å; N348-C352 PolarHBondContact O-SG 2.92Å; K350-C352 VanDerWaalsContact C-N 3.27Å; K350-C352 PolarHBondContact O-N 3.41Å; C352-L354 VanDerWaalsContact C-N 3.26Å; C352-L354 HydrophobicContact CB-CD1 4.01Å; C352-L354 HydrophobicContact CB-CG 4.4Å; C352-L354 PolarHBondContact O-N 3.33Å
353G46.2Very low58.7Low65 Ų6585.8 Ų85.867%0.6746%0.458SS*.THydrogen-bonded Turntrans6722.8179.500000114.8L349 K350L349-G353 PolarHBondContact O-N 3.29Å; K350-G353 PolarHBondContact O-N 3.37Å; K350-G353 VanDerWaalsContact O-N 3.1Å
354L49.5Very low57.6Low99 Ų9988.4 Ų88.452%0.51847%0.469SS..  trans-92.3-0.3-179.4-75.9162.7000113L349 C352L349-L354 HydrophobicContact CD2-CB 3.96Å; L349-L354 HydrophobicContact CD2-CD1 3.85Å; L349-L354 PolarHBondContact O-N 3.44Å; C352-L354 VanDerWaalsContact C-N 3.26Å; C352-L354 HydrophobicContact CB-CD1 4.01Å; C352-L354 HydrophobicContact CB-CG 4.4Å; C352-L354 PolarHBondContact O-N 3.33Å
355F41.2Very low56.5Low221 Ų22195.9 Ų95.997%0.96951%0.508SS*.  trans-140.60178.1-127.4-81.7000112.9L349L349-F355 HydrophobicContact CD1-CD2 4.3Å

Retrieved 355 of 355 residues in 144.3 ms (Link to these results)

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