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COP9 signalosome complex subunit 8

Component of the COP9 signalosome complex (CSN), a complex involved in various cellular and developmental processes. The CSN complex is an essential regulator of the ubiquitin (Ubl) conjugation pathway by mediating the deneddylation of the cullin subunits of SCF-type E3 ligase complexes, leading to decrease the Ubl ligase activity of SCF-type complexes such as SCF, CSA or DDB2. The complex is also involved in phosphorylation of p53/TP53, c-jun/JUN, IkappaBalpha/NFKBIA, ITPK1 and IRF8/ICSBP, possibly via its association with CK2 and PKD kinases. CSN-dependent phosphorylation of TP53 and JUN promotes and protects degradation by the Ubl system, respectively.

AlphaFold DB (Q99627), UniProt , Accession A0A096NWX9, Species PAPAN (Papio anubis, Olive baboon), Gene COPS8, Length 209 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
1M40.6Very low50.2Low177 Ų17780.1 Ų80.187%0.87246%0.46SS*.  0121.30-71.8-81.2-114.300108.2M6M1-M6 HydrophobicContact CB-CG 4.32Å; M1-M6 HydrophobicContact CB-SD 3.98Å
2P43.1Very low53.4Low89 Ų8978.3 Ų78.358%0.57846%0.456SS*.  trans-66143.8-178.325.8-29.7000110.9A4 V5P2-A4 PolarHBondContact O-N 3.46Å; P2-A4 VanDerWaalsContact O-N 3.08Å; P2-V5 HydrophobicContact CG-CG2 3.91Å; P2-V5 PolarHBondContact O-N 2.95Å
3V42.3Very low56.4Low94 Ų9474.1 Ų74.157%0.5743%0.429SS*.Hα-helixtrans-54.3-32-171.8178.10000113.1V5 M6 A7V3-V5 PolarHBondContact O-N 3.42Å; V3-M6 PolarHBondContact O-N 3.21Å; V3-A7 PolarHBondContact O-N 2.57Å
4A31.1Very low59Low65 Ų6575.5 Ų75.554%0.53743%0.427SS..Hα-helixtrans-59.4-44.617700000112.9P2 M6 A7 E8P2-A4 PolarHBondContact O-N 3.46Å; P2-A4 VanDerWaalsContact O-N 3.08Å; A4-M6 VanDerWaalsContact C-N 3.3Å; A4-M6 PolarHBondContact O-N 2.94Å; A4-A7 PolarHBondContact O-N 3.38Å; A4-E8 WeakPolarHBondContact O-CG 3.44Å; A4-E8 PolarHBondContact O-N 2.96Å
5V46.1Very low61.2Low63 Ų6377.4 Ų77.438%0.38243%0.429SS..Hα-helixtrans-67.9-34.1179.7-179.20000110.8P2 V3 S9P2-V5 HydrophobicContact CG-CG2 3.91Å; P2-V5 PolarHBondContact O-N 2.95Å; V3-V5 PolarHBondContact O-N 3.42Å; V5-S9 WeakPolarHBondContact O-CB 3.38Å; V5-S9 PolarHBondContact O-N 3.36Å; V5-S9 PolarHBondContact O-OG 2.98Å
6M49.8Very low63.3Low34 Ų3475.3 Ų75.317%0.16742%0.417CS..Hα-helixtrans-71.4-32.7175.3-58.7-57.3-72.300112.1M1 V3 A4 S9 A10 D111M1-M6 HydrophobicContact CB-CG 4.32Å; M1-M6 HydrophobicContact CB-SD 3.98Å; V3-M6 PolarHBondContact O-N 3.21Å; A4-M6 VanDerWaalsContact C-N 3.3Å; A4-M6 PolarHBondContact O-N 2.94Å; M6-S9 VanDerWaalsContact CA-OG 3.31Å; M6-S9 WeakPolarHBondContact CA-OG 3.24Å; M6-S9 PolarHBondContact O-OG 2.77Å; M6-S9 VanDerWaalsContact O-OG 3.05Å; M6-A10 WeakPolarHBondContact O-CB 3.36Å; M6-A10 PolarHBondContact O-N 2.88Å; M6-D111 HydrophobicContact CE-CB 4.11Å
7A47.3Very low65.1Low50 Ų5071.9 Ų71.941%0.41340%0.398SS..Hα-helixtrans-73.7-40.4176.900000112V3 A4 A10 F11V3-A7 PolarHBondContact O-N 2.57Å; A4-A7 PolarHBondContact O-N 3.38Å; A7-A10 PolarHBondContact O-N 2.8Å; A7-F11 PolarHBondContact O-N 3.13Å
8E53.2Low66.8Low140 Ų14072.8 Ų72.865%0.65440%0.402SS*.Hα-helixtrans-63.1-45.9174.3-75176.6179.400111.4A4 F11 S12A4-E8 WeakPolarHBondContact O-CG 3.44Å; A4-E8 PolarHBondContact O-N 2.96Å; E8-F11 PolarHBondContact O-N 3.38Å; E8-S12 PolarHBondContact O-N 3.28Å
9S67Low68.2Low32 Ų3274.7 Ų74.722%0.22441%0.407CS..Hα-helixtrans-65.7-39.5174.753.60000112.4V5 M6 F11 S12 F13V5-S9 WeakPolarHBondContact O-CB 3.38Å; V5-S9 PolarHBondContact O-N 3.36Å; V5-S9 PolarHBondContact O-OG 2.98Å; M6-S9 VanDerWaalsContact CA-OG 3.31Å; M6-S9 WeakPolarHBondContact CA-OG 3.24Å; M6-S9 PolarHBondContact O-OG 2.77Å; M6-S9 VanDerWaalsContact O-OG 3.05Å; S9-F11 VanDerWaalsContact C-N 3.3Å; S9-F11 PolarHBondContact O-N 2.8Å; S9-S12 WeakPolarHBondContact CA-OG 3.21Å; S9-S12 PolarHBondContact O-N 3.3Å; S9-S12 VanDerWaalsContact O-N 3.15Å; S9-S12 PolarHBondContact O-OG 2.81Å; S9-F13 WeakPolarHBondContact O-CD2 3.3Å; S9-F13 VanDerWaalsContact O-CG 3.32Å; S9-F13 WeakPolarHBondContact O-CG 3.42Å; S9-F13 PolarHBondContact O-N 3.22Å
10A63.5Low69.5Low16 Ų1671.1 Ų71.113%0.13239%0.387CS..Hα-helixtrans-62-37.7175.100000112.7M6 A7 K14 F179M6-A10 WeakPolarHBondContact O-CB 3.36Å; M6-A10 PolarHBondContact O-N 2.88Å; A7-A10 PolarHBondContact O-N 2.8Å; A10-K14 PolarHBondContact O-N 3.32Å; A10-F179 HydrophobicContact CB-CZ 4.04Å
11F68.5Low70.7Confident121 Ų12170.5 Ų70.553%0.53138%0.382SS..Hα-helixtrans-69.3-36.4174.8-173.4-113.7000111.8A7 E8 S9 K15A7-F11 PolarHBondContact O-N 3.13Å; E8-F11 PolarHBondContact O-N 3.38Å; S9-F11 VanDerWaalsContact C-N 3.3Å; S9-F11 PolarHBondContact O-N 2.8Å; F11-K15 HydrophobicContact CD1-CD 4.47Å; F11-K15 HydrophobicContact CE1-CD 4.15Å; F11-K15 PolarHBondContact O-N 2.91Å
12S88Confident73.3Confident59 Ų5966.1 Ų66.141%0.41336%0.362SS..Hα-helixtrans-68.8-38175.571.40000112.5E8 S9 K14 K15 L16E8-S12 PolarHBondContact O-N 3.28Å; S9-S12 WeakPolarHBondContact CA-OG 3.21Å; S9-S12 PolarHBondContact O-N 3.3Å; S9-S12 VanDerWaalsContact O-N 3.15Å; S9-S12 PolarHBondContact O-OG 2.81Å; S12-K14 PolarHBondContact O-N 3.19Å; S12-K15 PolarHBondContact O-N 3.19Å; S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 2.88Å
13F92.5Very high75.7Confident23 Ų2366.4 Ų66.410%0.10136%0.356CS..Hα-helixtrans-66.8-33.8177.8-67.4-53.5000113.6S9 L16 L17 L43 L46 I105 A108S9-F13 WeakPolarHBondContact O-CD2 3.3Å; S9-F13 VanDerWaalsContact O-CG 3.32Å; S9-F13 WeakPolarHBondContact O-CG 3.42Å; S9-F13 PolarHBondContact O-N 3.22Å; F13-L16 PolarHBondContact O-N 3.42Å; F13-L17 WeakPolarHBondContact O-CB 3.21Å; F13-L17 PolarHBondContact O-N 3.4Å; F13-L43 HydrophobicContact CB-CD2 3.9Å; F13-L43 HydrophobicContact CD1-CD2 4.04Å; F13-L43 HydrophobicContact CG-CD2 4.31Å; F13-L46 HydrophobicContact CB-CD2 3.98Å; F13-L46 HydrophobicContact CD2-CD2 3.89Å; F13-L46 HydrophobicContact CG-CD2 3.89Å; F13-I105 HydrophobicContact CD1-CG1 4.26Å; F13-I105 HydrophobicContact CE1-CG1 3.93Å; F13-A108 HydrophobicContact CD2-CB 4.26Å; F13-A108 HydrophobicContact CE2-CB 3.5Å; F13-A108 VanDerWaalsContact CE2-CB 3.5Å; F13-A108 HydrophobicContact CZ-CB 3.84Å
14K92.6Very high78.1Confident94 Ų9462.9 Ų62.941%0.40933%0.333SS..Hα-helixtrans-64.7-46.8173.1-74.8-174.9178.2-162.60111.6A10 S12 L16 L17 D18 H47A10-K14 PolarHBondContact O-N 3.32Å; S12-K14 PolarHBondContact O-N 3.19Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.28Å; K14-L17 WeakPolarHBondContact O-CB 3.37Å; K14-L17 PolarHBondContact O-N 2.87Å; K14-L17 VanDerWaalsContact O-N 3.14Å; K14-D18 PolarHBondContact O-N 3.49Å; K14-H47 WeakPolarHBondContact CG-NE2 3.3Å
15K93Very high80.9Confident104 Ų10466.3 Ų66.345%0.45234%0.342SS..Hα-helixtrans-61.7-39.2174.9-70.8-177.9172.8-176.80112.3F11 S12 L17 D18 Q19F11-K15 HydrophobicContact CD1-CD 4.47Å; F11-K15 HydrophobicContact CE1-CD 4.15Å; F11-K15 PolarHBondContact O-N 2.91Å; S12-K15 PolarHBondContact O-N 3.19Å; K15-L17 VanDerWaalsContact C-N 3.31Å; K15-D18 PolarHBondContact O-N 3.29Å; K15-Q19 WeakPolarHBondContact O-CB 3.33Å; K15-Q19 VanDerWaalsContact O-CG 3.23Å; K15-Q19 WeakPolarHBondContact O-CG 3.43Å; K15-Q19 PolarHBondContact O-N 2.67Å
16L93.7Very high83.2Confident44 Ų4470.7 Ų70.723%0.2336%0.358CS..Hα-helixtrans-63.9-39.2175.7-174.165.5000111S12 F13 K14 Q19 C20 L43 I105S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 2.88Å; F13-L16 PolarHBondContact O-N 3.42Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.28Å; L16-Q19 PolarHBondContact O-N 3.32Å; L16-C20 WeakPolarHBondContact O-CB 3.23Å; L16-C20 PolarHBondContact O-N 3.44Å; L16-C20 PolarHBondContact O-SG 2.96Å; L16-L43 HydrophobicContact CB-CD1 4.32Å; L16-L43 HydrophobicContact CD2-CD1 4.11Å; L16-L43 HydrophobicContact CG-CD1 3.96Å; L16-I105 HydrophobicContact CD2-CD1 4.27Å
17L95.2Very high85.1Confident18 Ų1869.7 Ų69.79%0.09436%0.355CS..Hα-helixtrans-60-51.7174.2176.661.8000110.9F13 K14 K15 Q19 C20 E21 L40 L43 Y44F13-L17 WeakPolarHBondContact O-CB 3.21Å; F13-L17 PolarHBondContact O-N 3.4Å; K14-L17 WeakPolarHBondContact O-CB 3.37Å; K14-L17 PolarHBondContact O-N 2.87Å; K14-L17 VanDerWaalsContact O-N 3.14Å; K15-L17 VanDerWaalsContact C-N 3.31Å; L17-Q19 VanDerWaalsContact C-N 3.26Å; L17-Q19 PolarHBondContact O-N 2.9Å; L17-C20 PolarHBondContact O-N 3.41Å; L17-C20 VanDerWaalsContact O-N 3.16Å; L17-E21 HydrophobicContact CD1-CG 4.21Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 3.03Å; L17-L40 HydrophobicContact CD1-CD2 3.82Å; L17-L43 HydrophobicContact CB-CB 4.33Å; L17-L43 HydrophobicContact CB-CD1 4.08Å; L17-L43 HydrophobicContact CD1-CB 3.88Å; L17-L43 HydrophobicContact CD1-CD1 4.44Å; L17-Y44 HydrophobicContact CD1-CD1 3.89Å; L17-Y44 HydrophobicContact CD1-CE1 3.64Å; L17-Y44 HydrophobicContact CD2-CD1 4.42Å; L17-Y44 HydrophobicContact CD2-CE1 4.37Å
18D95Very high86.9Confident88 Ų8873.3 Ų73.347%0.47137%0.374SS..Hα-helixtrans-57.6-40.7178-58-33.9000111.4K14 K15 E21 N22K14-D18 PolarHBondContact O-N 3.49Å; K15-D18 PolarHBondContact O-N 3.29Å; D18-E21 PolarHBondContact O-N 3.1Å; D18-N22 VanDerWaalsContact O-CG 3.3Å; D18-N22 PolarHBondContact O-N 3.25Å; D18-N22 PolarHBondContact O-ND2 3.14Å
19Q94.5Very high88.3Confident109 Ų10970.4 Ų70.451%0.50938%0.383SS..Hα-helixtrans-64.8-46176.6-74.91700.900112.4K15 L16 L17 E21 N22 Q23K15-Q19 WeakPolarHBondContact O-CB 3.33Å; K15-Q19 VanDerWaalsContact O-CG 3.23Å; K15-Q19 WeakPolarHBondContact O-CG 3.43Å; K15-Q19 PolarHBondContact O-N 2.67Å; L16-Q19 PolarHBondContact O-N 3.32Å; L17-Q19 VanDerWaalsContact C-N 3.26Å; L17-Q19 PolarHBondContact O-N 2.9Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 2.95Å; Q19-N22 PolarHBondContact O-N 3.2Å; Q19-Q23 WeakPolarHBondContact O-CB 3.44Å; Q19-Q23 VanDerWaalsContact O-CG 3.31Å; Q19-Q23 WeakPolarHBondContact O-CG 3.28Å; Q19-Q23 PolarHBondContact O-N 2.92Å
20C94.2Very high89.1Confident1 Ų171.4 Ų71.41%0.00740%0.397CS..Hα-helixtrans-67.7-32.7179.1-67.20000111.9L16 L17 Q23 E24 V36 L40L16-C20 WeakPolarHBondContact O-CB 3.23Å; L16-C20 PolarHBondContact O-N 3.44Å; L16-C20 PolarHBondContact O-SG 2.96Å; L17-C20 PolarHBondContact O-N 3.41Å; L17-C20 VanDerWaalsContact O-N 3.16Å; C20-Q23 PolarHBondContact O-N 3.14Å; C20-E24 PolarHBondContact O-N 3.35Å; C20-V36 HydrophobicContact CB-CG1 4.26Å; C20-L40 HydrophobicContact CB-CD1 4.4Å; C20-L40 HydrophobicContact CB-CD2 3.4Å; C20-L40 VanDerWaalsContact CB-CD2 3.4Å; C20-L40 HydrophobicContact CB-CG 3.58Å
21E94.7Very high90.3Very high59 Ų5974.8 Ų74.828%0.27641%0.413SS..Hα-helixtrans-66-44.4174.1-73.7-176.3161.300111.1L17 D18 Q19 Q23 E24 L25 L40 Y44L17-E21 HydrophobicContact CD1-CG 4.21Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 3.03Å; D18-E21 PolarHBondContact O-N 3.1Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 2.95Å; E21-Q23 PolarHBondContact O-N 3.1Å; E21-E24 PolarHBondContact O-N 3.39Å; E21-L25 WeakPolarHBondContact O-CG 3.24Å; E21-L25 PolarHBondContact O-N 3.25Å; E21-L25 VanDerWaalsContact O-N 3.16Å; E21-L40 HydrophobicContact CG-CD2 3.77Å; E21-Y44 VanDerWaalsContact OE1-CE1 3.24Å; E21-Y44 WeakPolarHBondContact OE1-CE1 3.35Å; E21-Y44 PolarHBondContact OE1-OH 3.31Å
22N94.6Very high91.4Very high86 Ų8669.3 Ų69.346%0.4639%0.39SS..Hα-helixtrans-61.1-45173.4-69.4-37.6000111.6D18 Q19 E24 L25 E26D18-N22 VanDerWaalsContact O-CG 3.3Å; D18-N22 PolarHBondContact O-N 3.25Å; D18-N22 PolarHBondContact O-ND2 3.14Å; Q19-N22 PolarHBondContact O-N 3.2Å; N22-E24 PolarHBondContact O-N 3.32Å; N22-L25 PolarHBondContact O-N 3.03Å; N22-E26 WeakPolarHBondContact O-CB 3.38Å; N22-E26 VanDerWaalsContact O-CG 3.28Å; N22-E26 WeakPolarHBondContact O-CG 3.03Å; N22-E26 PolarHBondContact O-N 3.07Å
23Q92.8Very high91.6Very high95 Ų9570.4 Ų70.444%0.44439%0.394SS..Hα-helixtrans-61.6-31.7176.7-75.2176.3-10.900113.1Q19 C20 E21 A27 V36Q19-Q23 WeakPolarHBondContact O-CB 3.44Å; Q19-Q23 VanDerWaalsContact O-CG 3.31Å; Q19-Q23 WeakPolarHBondContact O-CG 3.28Å; Q19-Q23 PolarHBondContact O-N 2.92Å; C20-Q23 PolarHBondContact O-N 3.14Å; E21-Q23 PolarHBondContact O-N 3.1Å; Q23-A27 WeakPolarHBondContact O-CB 3.35Å; Q23-A27 PolarHBondContact O-N 3.03Å; Q23-V36 HydrophobicContact CB-CG1 4.24Å
24E92.3Very high91.6Very high20 Ų2071.6 Ų71.69%0.09340%0.404CS..Hα-helixtrans-69.9-40.4176.1-163.5-126.9-175.500112.2C20 E21 N22 A27 A32 Y37 L40 R59C20-E24 PolarHBondContact O-N 3.35Å; E21-E24 PolarHBondContact O-N 3.39Å; N22-E24 PolarHBondContact O-N 3.32Å; E24-A27 WeakPolarHBondContact O-CB 3.48Å; E24-A32 HydrophobicContact CB-CB 4.31Å; E24-A32 HydrophobicContact CG-CB 3.91Å; E24-Y37 HydrophobicContact CG-CE1 3.9Å; E24-L40 HydrophobicContact CB-CD1 3.91Å; E24-L40 HydrophobicContact CG-CD1 4.18Å; E24-R59 IonicContact OE1-CZ 3.19Å; E24-R59 IonicContact OE1-NE 2.7Å; E24-R59 PolarHBondContact OE1-NE 2.85Å; E24-R59 IonicContact OE1-NH2 2.86Å; E24-R59 PolarHBondContact OE1-NH2 3.48Å; E24-R59 IonicContact OE2-CZ 3.68Å; E24-R59 IonicContact OE2-NE 3.88Å; E24-R59 IonicContact OE2-NH2 2.84Å; E24-R59 PolarHBondContact OE2-NH2 3.21Å
25L91.5Very high91.7Very high137 Ų13770.2 Ų70.272%0.71741%0.405SS*.Hα-helixtrans-73.4-36.7178.3-65.9175.3000112.6E21 N22 A27E21-L25 WeakPolarHBondContact O-CG 3.24Å; E21-L25 PolarHBondContact O-N 3.25Å; E21-L25 VanDerWaalsContact O-N 3.16Å; N22-L25 PolarHBondContact O-N 3.03Å; L25-A27 VanDerWaalsContact C-N 3.26Å; L25-A27 PolarHBondContact O-N 3.42Å
26E93.5Very high91.7Very high154 Ų15465.9 Ų65.972%0.7239%0.387SS*.SBendtrans-80.1-6.5178.9-67.9173.517900112.9N22N22-E26 WeakPolarHBondContact O-CB 3.38Å; N22-E26 VanDerWaalsContact O-CG 3.28Å; N22-E26 WeakPolarHBondContact O-CG 3.03Å; N22-E26 PolarHBondContact O-N 3.07Å
27A90.5Very high91.8Very high14 Ų1463.9 Ų63.912%0.11638%0.376CS..SBendtrans-61.7134-176.200000112.1Q23 E24 L25 G29 G30 A32Q23-A27 WeakPolarHBondContact O-CB 3.35Å; Q23-A27 PolarHBondContact O-N 3.03Å; E24-A27 WeakPolarHBondContact O-CB 3.48Å; L25-A27 VanDerWaalsContact C-N 3.26Å; L25-A27 PolarHBondContact O-N 3.42Å; A27-G29 PolarHBondContact O-N 3.16Å; A27-G30 PolarHBondContact O-N 3.29Å; A27-A32 HydrophobicContact CB-CB 4.16Å
28P84.8Confident91.9Very high125 Ų12563.3 Ų63.381%0.81237%0.374SS*.G310 helixtrans-61.9123.6179.425.8-33.5000110.4G30P28-G30 VanDerWaalsContact C-N 3.31Å
29G81.7Confident91.9Very high80 Ų8060.5 Ų60.583%0.82536%0.359SS*.G310 helixtrans77.511.5-178.400000114.9A27 I31A27-G29 PolarHBondContact O-N 3.16Å; G29-I31 PolarHBondContact O-N 3.49Å
30G83.4Confident92Very high52 Ų5255.3 Ų55.354%0.53633%0.334SS..G310 helixtrans71.216.1177.300000114.3A27 P28A27-G30 PolarHBondContact O-N 3.29Å; P28-G30 VanDerWaalsContact C-N 3.31Å
31I89.6Confident92.1Very high88 Ų8855.3 Ų55.345%0.45133%0.334SS..  trans-123.2109.4178.3-57.1170.5000108.1G29 Y37 P61 I64G29-I31 PolarHBondContact O-N 3.49Å; I31-Y37 HydrophobicContact CG2-CE2 4.34Å; I31-P61 HydrophobicContact CD1-CG 4.22Å; I31-P61 HydrophobicContact CG1-CG 4.25Å; I31-P61 HydrophobicContact CG2-CG 3.96Å; I31-I64 HydrophobicContact CG2-CD1 3.56Å
32A92.3Very high92.2Very high6 Ų652.5 Ų52.55%0.0532%0.321CS..  trans-72167.3179.300000112.4E24 A27 V36 Y37E24-A32 HydrophobicContact CB-CB 4.31Å; E24-A32 HydrophobicContact CG-CB 3.91Å; A27-A32 HydrophobicContact CB-CB 4.16Å; A32-V36 HydrophobicContact CB-CB 4.39Å; A32-V36 HydrophobicContact CB-CG1 4.2Å; A32-Y37 HydrophobicContact CB-CD1 4.33Å; A32-Y37 HydrophobicContact CB-CD2 4.24Å; A32-Y37 HydrophobicContact CB-CE1 3.87Å; A32-Y37 HydrophobicContact CB-CE2 3.79Å; A32-Y37 HydrophobicContact CB-CG 4.5Å; A32-Y37 PolarHBondContact N-OH 3.18Å; A32-Y37 WeakPolarHBondContact O-CE2 3.33Å
33T92.2Very high92.3Very high82 Ų8248.4 Ų48.450%0.50330%0.299SS..  trans-71.8149.4176.664.40000110.9P35 V36 Y37T33-P35 VanDerWaalsContact C-CD 3.45Å; T33-P35 VanDerWaalsContact C-N 3.35Å; T33-V36 PolarHBondContact O-N 3.39Å; T33-V36 VanDerWaalsContact O-N 3.1Å; T33-V36 VanDerWaalsContact OG1-CG2 3.26Å; T33-V36 WeakPolarHBondContact OG1-CG2 3.45Å; T33-Y37 PolarHBondContact O-N 3.34Å; T33-Y37 VanDerWaalsContact O-N 3.14Å
34P92.7Very high92.5Very high47 Ų4744.7 Ų44.731%0.30528%0.281SS..Hα-helixtrans-54.3-39.4179.4-23.831.6000115.1V36 Y37 G38 I64 N68P34-V36 PolarHBondContact O-N 2.94Å; P34-Y37 PolarHBondContact O-N 2.97Å; P34-G38 PolarHBondContact O-N 3.46Å; P34-I64 HydrophobicContact CB-CG2 4.01Å; P34-I64 HydrophobicContact CG-CG2 4Å; P34-N68 HydrophobicContact CB-CB 4.43Å
35P92.6Very high92.7Very high66 Ų6643.7 Ų43.743%0.42928%0.277SS..Hα-helixtrans-61.7-40.5175.5-24.635.8000113.2T33 G38 Q39T33-P35 VanDerWaalsContact C-CD 3.45Å; T33-P35 VanDerWaalsContact C-N 3.35Å; P35-G38 PolarHBondContact O-N 2.88Å; P35-Q39 WeakPolarHBondContact O-CG 3.45Å; P35-Q39 PolarHBondContact O-N 3.29Å
36V94.7Very high92.9Very high13 Ų1337.4 Ų37.48%0.07924%0.244CC..Hα-helixtrans-63.6-43.3177.5173.40000110.3C20 Q23 A32 T33 P34 G38 Q39 L40C20-V36 HydrophobicContact CB-CG1 4.26Å; Q23-V36 HydrophobicContact CB-CG1 4.24Å; A32-V36 HydrophobicContact CB-CB 4.39Å; A32-V36 HydrophobicContact CB-CG1 4.2Å; T33-V36 PolarHBondContact O-N 3.39Å; T33-V36 VanDerWaalsContact O-N 3.1Å; T33-V36 VanDerWaalsContact OG1-CG2 3.26Å; T33-V36 WeakPolarHBondContact OG1-CG2 3.45Å; P34-V36 PolarHBondContact O-N 2.94Å; V36-G38 VanDerWaalsContact C-N 3.33Å; V36-G38 PolarHBondContact O-N 3.09Å; V36-Q39 PolarHBondContact O-N 3.13Å; V36-L40 HydrophobicContact CG1-CD1 4.12Å; V36-L40 HydrophobicContact CG1-CG 4.43Å; V36-L40 WeakPolarHBondContact O-CB 3.42Å; V36-L40 WeakPolarHBondContact O-CG 3.37Å; V36-L40 PolarHBondContact O-N 3.46Å
37Y95.9Very high93Very high2 Ų232.3 Ų32.31%0.00822%0.22CC..Hα-helixtrans-62.3-38.6174.7-76.5-48.4000113.2E24 I31 A32 T33 P34 L41 I60 I64E24-Y37 HydrophobicContact CG-CE1 3.9Å; I31-Y37 HydrophobicContact CG2-CE2 4.34Å; A32-Y37 HydrophobicContact CB-CD1 4.33Å; A32-Y37 HydrophobicContact CB-CD2 4.24Å; A32-Y37 HydrophobicContact CB-CE1 3.87Å; A32-Y37 HydrophobicContact CB-CE2 3.79Å; A32-Y37 HydrophobicContact CB-CG 4.5Å; A32-Y37 PolarHBondContact N-OH 3.18Å; A32-Y37 WeakPolarHBondContact O-CE2 3.33Å; T33-Y37 PolarHBondContact O-N 3.34Å; T33-Y37 VanDerWaalsContact O-N 3.14Å; P34-Y37 PolarHBondContact O-N 2.97Å; Y37-L41 VanDerWaalsContact O-CB 3.27Å; Y37-L41 WeakPolarHBondContact O-CB 3.41Å; Y37-L41 PolarHBondContact O-N 3.44Å; Y37-I60 HydrophobicContact CD1-CD1 3.91Å; Y37-I60 HydrophobicContact CD1-CG1 3.63Å; Y37-I60 HydrophobicContact CD2-CD1 4.48Å; Y37-I60 HydrophobicContact CD2-CG1 4.14Å; Y37-I60 HydrophobicContact CD2-CG2 4.33Å; Y37-I60 HydrophobicContact CE1-CG1 3.92Å; Y37-I60 HydrophobicContact CE2-CG1 4.37Å; Y37-I60 HydrophobicContact CG-CD1 3.81Å; Y37-I60 HydrophobicContact CG-CG1 3.76Å; Y37-I64 HydrophobicContact CD2-CD1 4.09Å; Y37-I64 HydrophobicContact CD2-CG2 4.38Å; Y37-I64 HydrophobicContact CE2-CD1 3.76Å
38G95.5Very high93.1Very high5 Ų534.2 Ų34.25%0.05223%0.228CC..Hα-helixtrans-62.3-48.8174.600000112.2P34 P35 V36 L41 A42P34-G38 PolarHBondContact O-N 3.46Å; P35-G38 PolarHBondContact O-N 2.88Å; V36-G38 VanDerWaalsContact C-N 3.33Å; V36-G38 PolarHBondContact O-N 3.09Å; G38-L41 PolarHBondContact O-N 2.98Å; G38-A42 WeakPolarHBondContact O-CB 3.18Å; G38-A42 PolarHBondContact O-N 3.34Å
39Q95.8Very high93.6Very high30 Ų3030.8 Ų30.814%0.1420%0.203CC..Hα-helixtrans-62.2-48.2177.4-70.7-178-53.100112P35 V36 L41 A42 L43 T101 V102 I105P35-Q39 WeakPolarHBondContact O-CG 3.45Å; P35-Q39 PolarHBondContact O-N 3.29Å; V36-Q39 PolarHBondContact O-N 3.13Å; Q39-L41 VanDerWaalsContact C-N 3.34Å; Q39-L41 PolarHBondContact O-N 3.5Å; Q39-A42 PolarHBondContact O-N 3.33Å; Q39-L43 WeakPolarHBondContact O-CB 3.4Å; Q39-L43 WeakPolarHBondContact O-CD1 3.44Å; Q39-L43 WeakPolarHBondContact O-CG 3.39Å; Q39-L43 PolarHBondContact O-N 3.39Å; Q39-T101 PolarHBondContact NE2-O 3.11Å; Q39-V102 HydrophobicContact CG-CG2 4.46Å; Q39-I105 HydrophobicContact CB-CD1 4.24Å; Q39-I105 HydrophobicContact CG-CD1 4.12Å
40L96.1Very high94.2Very high0 Ų028 Ų280%017%0.168CC..Hα-helixtrans-56.6-48.1176.7-82.7175.6000112.1L17 C20 E21 E24 V36 A42 L43 Y44 L56L17-L40 HydrophobicContact CD1-CD2 3.82Å; C20-L40 HydrophobicContact CB-CD1 4.4Å; C20-L40 HydrophobicContact CB-CD2 3.4Å; C20-L40 VanDerWaalsContact CB-CD2 3.4Å; C20-L40 HydrophobicContact CB-CG 3.58Å; E21-L40 HydrophobicContact CG-CD2 3.77Å; E24-L40 HydrophobicContact CB-CD1 3.91Å; E24-L40 HydrophobicContact CG-CD1 4.18Å; V36-L40 HydrophobicContact CG1-CD1 4.12Å; V36-L40 HydrophobicContact CG1-CG 4.43Å; V36-L40 WeakPolarHBondContact O-CB 3.42Å; V36-L40 WeakPolarHBondContact O-CG 3.37Å; V36-L40 PolarHBondContact O-N 3.46Å; L40-A42 PolarHBondContact O-N 2.96Å; L40-L43 PolarHBondContact O-N 3.11Å; L40-Y44 PolarHBondContact O-N 3.47Å; L40-L56 HydrophobicContact CB-CD1 3.54Å; L40-L56 HydrophobicContact CD1-CD1 3.86Å; L40-L56 HydrophobicContact CG-CD1 4.25Å
41L97.1Very high94.8Very high0 Ų030 Ų300%017%0.167CC..Hα-helixtrans-62.2-47.5-178.9-172.263000110.4Y37 G38 Q39 L43 Y44 L45 A53 L56 W57 I74 W75Y37-L41 VanDerWaalsContact O-CB 3.27Å; Y37-L41 WeakPolarHBondContact O-CB 3.41Å; Y37-L41 PolarHBondContact O-N 3.44Å; G38-L41 PolarHBondContact O-N 2.98Å; Q39-L41 VanDerWaalsContact C-N 3.34Å; Q39-L41 PolarHBondContact O-N 3.5Å; L41-L43 VanDerWaalsContact C-N 3.32Å; L41-L43 PolarHBondContact O-N 3.04Å; L41-Y44 PolarHBondContact O-N 2.96Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.45Å; L41-L45 VanDerWaalsContact O-N 3.09Å; L41-A53 HydrophobicContact CD1-CB 4.03Å; L41-A53 WeakPolarHBondContact CD1-O 3.38Å; L41-L56 HydrophobicContact CB-CD2 3.92Å; L41-L56 HydrophobicContact CD1-CD2 3.88Å; L41-L56 HydrophobicContact CG-CD2 4.4Å; L41-W57 HydrophobicContact CD2-CE3 4.01Å; L41-I74 HydrophobicContact CB-CG2 4.09Å; L41-I74 HydrophobicContact CD2-CB 4.06Å; L41-I74 HydrophobicContact CD2-CG2 3.73Å; L41-I74 HydrophobicContact CG-CG2 3.73Å; L41-W75 HydrophobicContact CD1-CE3 4.07Å; L41-W75 HydrophobicContact CD1-CZ3 4.44Å; L41-W75 HydrophobicContact CD2-CB 4.16Å
42A96.9Very high95.2Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-61.8-38.4177.600000112.5G38 Q39 L40 L45 L46 I74 V102 I105 M106G38-A42 WeakPolarHBondContact O-CB 3.18Å; G38-A42 PolarHBondContact O-N 3.34Å; Q39-A42 PolarHBondContact O-N 3.33Å; L40-A42 PolarHBondContact O-N 2.96Å; A42-L45 PolarHBondContact O-N 3.02Å; A42-L46 PolarHBondContact O-N 3.36Å; A42-I74 HydrophobicContact CB-CG2 4.23Å; A42-V102 HydrophobicContact CB-CG1 4.25Å; A42-I105 HydrophobicContact CB-CB 4.25Å; A42-I105 HydrophobicContact CB-CD1 4.5Å; A42-I105 HydrophobicContact CB-CG2 3.75Å; A42-M106 HydrophobicContact CB-SD 4.29Å
43L96.7Very high95.4Very high0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-69.3-38.4177.8-72165.2000112.5F13 L16 L17 Q39 L40 L41 L45 L46 H47 I105F13-L43 HydrophobicContact CB-CD2 3.9Å; F13-L43 HydrophobicContact CD1-CD2 4.04Å; F13-L43 HydrophobicContact CG-CD2 4.31Å; L16-L43 HydrophobicContact CB-CD1 4.32Å; L16-L43 HydrophobicContact CD2-CD1 4.11Å; L16-L43 HydrophobicContact CG-CD1 3.96Å; L17-L43 HydrophobicContact CB-CB 4.33Å; L17-L43 HydrophobicContact CB-CD1 4.08Å; L17-L43 HydrophobicContact CD1-CB 3.88Å; L17-L43 HydrophobicContact CD1-CD1 4.44Å; Q39-L43 WeakPolarHBondContact O-CB 3.4Å; Q39-L43 WeakPolarHBondContact O-CD1 3.44Å; Q39-L43 WeakPolarHBondContact O-CG 3.39Å; Q39-L43 PolarHBondContact O-N 3.39Å; L40-L43 PolarHBondContact O-N 3.11Å; L41-L43 VanDerWaalsContact C-N 3.32Å; L41-L43 PolarHBondContact O-N 3.04Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L46 HydrophobicContact CD2-CD2 4.3Å; L43-L46 WeakPolarHBondContact O-CB 3.5Å; L43-L46 PolarHBondContact O-N 2.93Å; L43-H47 PolarHBondContact O-N 3.19Å; L43-H47 PolarHBondContact O-ND1 3.01Å; L43-I105 HydrophobicContact CD2-CD1 4.31Å; L43-I105 HydrophobicContact CD2-CG1 4.47Å; L43-I105 HydrophobicContact CD2-CG2 3.89Å; L43-I105 HydrophobicContact CG-CD1 4.12Å; L43-I105 HydrophobicContact CG-CG2 4.16Å
44Y97.3Very high95.6Very high17 Ų1730.5 Ų30.57%0.06716%0.158CC..Hα-helixtrans-62.9-40.8171.9-72.9-30.6000111.7L17 E21 L40 L41 H47 N48 D49 N52 L56L17-Y44 HydrophobicContact CD1-CD1 3.89Å; L17-Y44 HydrophobicContact CD1-CE1 3.64Å; L17-Y44 HydrophobicContact CD2-CD1 4.42Å; L17-Y44 HydrophobicContact CD2-CE1 4.37Å; E21-Y44 VanDerWaalsContact OE1-CE1 3.24Å; E21-Y44 WeakPolarHBondContact OE1-CE1 3.35Å; E21-Y44 PolarHBondContact OE1-OH 3.31Å; L40-Y44 PolarHBondContact O-N 3.47Å; L41-Y44 PolarHBondContact O-N 2.96Å; Y44-H47 PolarHBondContact O-N 3.18Å; Y44-N48 PolarHBondContact O-N 3.32Å; Y44-N48 VanDerWaalsContact O-N 3.16Å; Y44-D49 PolarHBondContact O-N 3.23Å; Y44-N52 HydrophobicContact CD1-CB 4.06Å; Y44-N52 HydrophobicContact CD2-CB 3.96Å; Y44-N52 HydrophobicContact CE1-CB 4.01Å; Y44-N52 HydrophobicContact CE2-CB 3.88Å; Y44-N52 HydrophobicContact CG-CB 4.06Å; Y44-L56 HydrophobicContact CD2-CB 4.25Å; Y44-L56 HydrophobicContact CD2-CD1 3.93Å; Y44-L56 HydrophobicContact CE2-CB 4.06Å; Y44-L56 HydrophobicContact CE2-CD1 3.49Å; Y44-L56 VanDerWaalsContact CE2-CD1 3.49Å; Y44-L56 HydrophobicContact CE2-CG 4.4Å
45L96.7Very high95.8Very high0 Ų035.6 Ų35.60%017%0.172CC..Hα-helixtrans-62.7-42.2173.7-62.2-176.1000111.8L41 A42 L43 H47 N48 M50 A53 I74 V77 I81 L109L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.45Å; L41-L45 VanDerWaalsContact O-N 3.09Å; A42-L45 PolarHBondContact O-N 3.02Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 2.71Å; L45-N48 WeakPolarHBondContact O-CA 3.34Å; L45-N48 PolarHBondContact O-N 2.99Å; L45-M50 HydrophobicContact CD2-CE 3.85Å; L45-M50 HydrophobicContact CD2-SD 3.63Å; L45-A53 HydrophobicContact CD2-CB 3.81Å; L45-I74 HydrophobicContact CD1-CG2 3.94Å; L45-I74 WeakPolarHBondContact CD1-O 3.4Å; L45-V77 HydrophobicContact CD1-CB 4.47Å; L45-I81 HydrophobicContact CB-CD1 3.98Å; L45-I81 HydrophobicContact CD1-CD1 4.28Å; L45-I81 HydrophobicContact CD2-CD1 4.11Å; L45-I81 HydrophobicContact CG-CD1 4.33Å; L45-L109 HydrophobicContact CB-CD1 4.33Å; L45-L109 HydrophobicContact CB-CD2 4.11Å; L45-L109 WeakPolarHBondContact O-CD1 3.35Å
46L96Very high96Very high5 Ų532.5 Ų32.53%0.02615%0.152CC..Hα-helixtrans-57.1-43.4176.2179.663.2000111.6F13 A42 L43 N48 I105 A108 L109 A112 R116F13-L46 HydrophobicContact CB-CD2 3.98Å; F13-L46 HydrophobicContact CD2-CD2 3.89Å; F13-L46 HydrophobicContact CG-CD2 3.89Å; A42-L46 PolarHBondContact O-N 3.36Å; L43-L46 HydrophobicContact CD2-CD2 4.3Å; L43-L46 WeakPolarHBondContact O-CB 3.5Å; L43-L46 PolarHBondContact O-N 2.93Å; L46-N48 PolarHBondContact O-N 3.33Å; L46-I105 HydrophobicContact CD2-CG2 4.29Å; L46-A108 HydrophobicContact CD1-CB 4.02Å; L46-A108 HydrophobicContact CD2-CB 4.33Å; L46-L109 HydrophobicContact CD1-CB 4.19Å; L46-A112 HydrophobicContact CD1-CB 3.97Å; L46-R116 PolarHBondContact O-NH1 2.92Å; L46-R116 PolarHBondContact O-NH2 3.07Å
47H93.7Very high96.1Very high47 Ų4733.7 Ų33.722%0.21816%0.155CC..THydrogen-bonded Turntrans-76.5-3177-69.786.9000114K14 L43 Y44 L45 D49K14-H47 WeakPolarHBondContact CG-NE2 3.3Å; L43-H47 PolarHBondContact O-N 3.19Å; L43-H47 PolarHBondContact O-ND1 3.01Å; Y44-H47 PolarHBondContact O-N 3.18Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 2.71Å; H47-D49 PolarHBondContact O-N 3.26Å
48N93.4Very high96.1Very high53 Ų5340.8 Ų40.828%0.28319%0.186SC..THydrogen-bonded Turntrans58.821.9-171.4-138.8-3.5000113.6Y44 L45 L46 M50 P181Y44-N48 PolarHBondContact O-N 3.32Å; Y44-N48 VanDerWaalsContact O-N 3.16Å; L45-N48 WeakPolarHBondContact O-CA 3.34Å; L45-N48 PolarHBondContact O-N 2.99Å; L46-N48 PolarHBondContact O-N 3.33Å; N48-M50 PolarHBondContact O-N 3.11Å; N48-P181 HydrophobicContact CB-CG 3.46Å; N48-P181 VanDerWaalsContact CB-CG 3.46Å
49D94.7Very high96Very high54 Ų5446.3 Ų46.329%0.28921%0.205SC..  trans-83.373.8177.3-164.6-23.2000109.7Y44 H47 N51 N52 A53Y44-D49 PolarHBondContact O-N 3.23Å; H47-D49 PolarHBondContact O-N 3.26Å; D49-N51 PolarHBondContact O-N 3.44Å; D49-N52 HydrophobicContact CB-CB 4.41Å; D49-N52 VanDerWaalsContact CG-ND2 3.35Å; D49-N52 PolarHBondContact O-N 3.15Å; D49-N52 PolarHBondContact OD1-N 3.16Å; D49-N52 VanDerWaalsContact OD1-N 3.11Å; D49-N52 PolarHBondContact OD2-ND2 3.47Å; D49-A53 WeakPolarHBondContact O-CB 3.31Å; D49-A53 PolarHBondContact O-N 3.4Å
50M95.2Very high95.9Very high20 Ų2045 Ų4510%0.09920%0.199CC..Hα-helixtrans-66.9-23.1-175.3-67.5-50.1-59.600113L45 N48 R54 G78 I81 W82L45-M50 HydrophobicContact CD2-CE 3.85Å; L45-M50 HydrophobicContact CD2-SD 3.63Å; N48-M50 PolarHBondContact O-N 3.11Å; M50-R54 VanDerWaalsContact O-CB 3.23Å; M50-R54 WeakPolarHBondContact O-CB 3.22Å; M50-R54 PolarHBondContact O-N 3.19Å; M50-G78 WeakPolarHBondContact CE-O 3.44Å; M50-I81 HydrophobicContact CE-CB 4.15Å; M50-I81 HydrophobicContact CE-CG2 4.18Å; M50-I81 HydrophobicContact CG-CG2 4.09Å; M50-I81 HydrophobicContact SD-CB 3.98Å; M50-I81 HydrophobicContact SD-CG2 3.43Å; M50-I81 WeakPolarHBondContact SD-CG2 3.39Å; M50-W82 HydrophobicContact CB-CE3 3.8Å; M50-W82 HydrophobicContact CB-CZ3 3.89Å; M50-W82 HydrophobicContact CE-CB 4.08Å; M50-W82 HydrophobicContact CE-CE3 4.21Å
51N96.2Very high95.8Very high96 Ų9646.5 Ų46.551%0.51321%0.209SC..Hα-helixtrans-68-55175.3-66-42.3000109.4D49 A53 R54 Y55D49-N51 PolarHBondContact O-N 3.44Å; N51-A53 PolarHBondContact O-N 3.47Å; N51-R54 PolarHBondContact O-N 3.12Å; N51-Y55 HydrophobicContact CB-CE2 4.44Å; N51-Y55 WeakPolarHBondContact O-CD2 3.3Å; N51-Y55 PolarHBondContact O-N 3.06Å
52N96.6Very high95.7Very high68 Ų6851.5 Ų51.536%0.36424%0.241SC..Hα-helixtrans-63.9-40.3179.4-75.9-27.5000112.1Y44 D49 R54 Y55 L56Y44-N52 HydrophobicContact CD1-CB 4.06Å; Y44-N52 HydrophobicContact CD2-CB 3.96Å; Y44-N52 HydrophobicContact CE1-CB 4.01Å; Y44-N52 HydrophobicContact CE2-CB 3.88Å; Y44-N52 HydrophobicContact CG-CB 4.06Å; D49-N52 HydrophobicContact CB-CB 4.41Å; D49-N52 VanDerWaalsContact CG-ND2 3.35Å; D49-N52 PolarHBondContact O-N 3.15Å; D49-N52 PolarHBondContact OD1-N 3.16Å; D49-N52 VanDerWaalsContact OD1-N 3.11Å; D49-N52 PolarHBondContact OD2-ND2 3.47Å; N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 PolarHBondContact O-N 3.5Å; N52-Y55 PolarHBondContact O-N 3.35Å; N52-L56 VanDerWaalsContact O-CB 3.26Å; N52-L56 WeakPolarHBondContact O-CB 3.32Å; N52-L56 PolarHBondContact O-N 3.36Å
53A97.3Very high95.6Very high0 Ų054.7 Ų54.70%027%0.268CS..Hα-helixtrans-57.1-45.5173.600000112.4L41 L45 D49 N51 W57 W75L41-A53 HydrophobicContact CD1-CB 4.03Å; L41-A53 WeakPolarHBondContact CD1-O 3.38Å; L45-A53 HydrophobicContact CD2-CB 3.81Å; D49-A53 WeakPolarHBondContact O-CB 3.31Å; D49-A53 PolarHBondContact O-N 3.4Å; N51-A53 PolarHBondContact O-N 3.47Å; A53-W57 WeakPolarHBondContact O-CB 3.41Å; A53-W57 PolarHBondContact O-N 3.29Å; A53-W75 HydrophobicContact CB-CZ3 4.31Å
54R97Very high95.5Very high118 Ų11855.8 Ų55.845%0.44527%0.273SS..Hα-helixtrans-65.8-44.1179.2-179.7178.3171.9174.7-3.2112.1M50 N51 N52 W57 K58 W75M50-R54 VanDerWaalsContact O-CB 3.23Å; M50-R54 WeakPolarHBondContact O-CB 3.22Å; M50-R54 PolarHBondContact O-N 3.19Å; N51-R54 PolarHBondContact O-N 3.12Å; N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 PolarHBondContact O-N 3.5Å; R54-W57 PolarHBondContact O-N 3.39Å; R54-K58 WeakPolarHBondContact O-CG 3.38Å; R54-K58 PolarHBondContact O-N 2.87Å; R54-K58 VanDerWaalsContact O-N 3.14Å; R54-W75 HydrophobicContact CB-CH2 3.87Å; R54-W75 HydrophobicContact CG-CH2 4.18Å
55Y96.8Very high95.4Very high154 Ų15457.5 Ų57.560%0.60428%0.281SS*.Hα-helixtrans-67.8-39.6178.9-71.7-59.7000111.8N51 N52 K58 R59N51-Y55 HydrophobicContact CB-CE2 4.44Å; N51-Y55 WeakPolarHBondContact O-CD2 3.3Å; N51-Y55 PolarHBondContact O-N 3.06Å; N52-Y55 PolarHBondContact O-N 3.35Å; Y55-K58 PolarHBondContact O-N 2.89Å; Y55-R59 WeakPolarHBondContact O-CB 3.5Å; Y55-R59 PolarHBondContact O-N 2.99Å
56L96Very high95.2Very high0 Ų062.3 Ų62.30%032%0.315CS..Hα-helixtrans-61.3-48.3173.5-177.9148.1000111.1L40 L41 Y44 N52 K58 R59 I60L40-L56 HydrophobicContact CB-CD1 3.54Å; L40-L56 HydrophobicContact CD1-CD1 3.86Å; L40-L56 HydrophobicContact CG-CD1 4.25Å; L41-L56 HydrophobicContact CB-CD2 3.92Å; L41-L56 HydrophobicContact CD1-CD2 3.88Å; L41-L56 HydrophobicContact CG-CD2 4.4Å; Y44-L56 HydrophobicContact CD2-CB 4.25Å; Y44-L56 HydrophobicContact CD2-CD1 3.93Å; Y44-L56 HydrophobicContact CE2-CB 4.06Å; Y44-L56 HydrophobicContact CE2-CD1 3.49Å; Y44-L56 VanDerWaalsContact CE2-CD1 3.49Å; Y44-L56 HydrophobicContact CE2-CG 4.4Å; N52-L56 VanDerWaalsContact O-CB 3.26Å; N52-L56 WeakPolarHBondContact O-CB 3.32Å; N52-L56 PolarHBondContact O-N 3.36Å; L56-K58 PolarHBondContact O-N 3.33Å; L56-R59 WeakPolarHBondContact O-CB 3.02Å; L56-R59 PolarHBondContact O-N 3.39Å; L56-I60 HydrophobicContact CD2-CD1 3.56Å; L56-I60 HydrophobicContact CD2-CG1 4.18Å; L56-I60 WeakPolarHBondContact O-CG1 3.48Å; L56-I60 PolarHBondContact O-N 2.93Å; L56-I60 VanDerWaalsContact O-N 3.08Å
57W96.8Very high95.1Very high39 Ų3966.2 Ų66.215%0.14835%0.348CS..Hα-helixtrans-56.7-37.3176.7177.1-107.2000112.1L41 A53 R54 K65 L71 W75L41-W57 HydrophobicContact CD2-CE3 4.01Å; A53-W57 WeakPolarHBondContact O-CB 3.41Å; A53-W57 PolarHBondContact O-N 3.29Å; R54-W57 PolarHBondContact O-N 3.39Å; W57-K65 HydrophobicContact CH2-CD 4.1Å; W57-K65 HydrophobicContact CH2-CG 4.01Å; W57-K65 HydrophobicContact CZ2-CD 3.96Å; W57-K65 HydrophobicContact CZ2-CG 4.38Å; W57-K65 HydrophobicContact CZ3-CG 4.29Å; W57-K65 WeakPolarHBondContact O-CE 3.45Å; W57-K65 PolarHBondContact O-NZ 3.28Å; W57-L71 HydrophobicContact CE3-CD2 3.97Å; W57-L71 HydrophobicContact CE3-CG 4.33Å; W57-L71 HydrophobicContact CH2-CD2 4.16Å; W57-L71 HydrophobicContact CZ3-CB 4.35Å; W57-L71 HydrophobicContact CZ3-CD2 3.34Å; W57-L71 HydrophobicContact CZ3-CG 3.68Å; W57-L71 WeakPolarHBondContact CZ3-O 3.49Å; W57-W75 HydrophobicContact CB-CD2 3.91Å; W57-W75 HydrophobicContact CB-CE3 3.79Å; W57-W75 HydrophobicContact CB-CH2 4.37Å; W57-W75 HydrophobicContact CB-CZ2 4.46Å; W57-W75 HydrophobicContact CB-CZ3 4.04Å; W57-W75 AromaticContact CD1-CD1 3.84Å; W57-W75 AromaticContact CD1-CD2 3.82Å; W57-W75 AromaticContact CD1-CE2 3.51Å; W57-W75 AromaticContact CD1-NE1 3.51Å; W57-W75 HydrophobicContact CD2-CB 3.83Å; W57-W75 AromaticContact CD2-CD1 3.78Å; W57-W75 AromaticContact CD2-CD2 3.82Å; W57-W75 HydrophobicContact CD2-CD2 3.82Å; W57-W75 HydrophobicContact CD2-CE3 4.44Å; W57-W75 AromaticContact CD2-CG 3.49Å; W57-W75 HydrophobicContact CD2-CG 3.49Å; W57-W75 VanDerWaalsContact CD2-CG 3.49Å; W57-W75 AromaticContact CE2-CD1 3.42Å; W57-W75 VanDerWaalsContact CE2-CD1 3.42Å; W57-W75 AromaticContact CE2-CG 3.63Å; W57-W75 AromaticContact CE2-NE1 3.89Å; W57-W75 HydrophobicContact CE3-CB 3.61Å; W57-W75 HydrophobicContact CE3-CD2 4.36Å; W57-W75 AromaticContact CE3-CG 3.83Å; W57-W75 HydrophobicContact CE3-CG 3.83Å; W57-W75 AromaticContact CG-CD2 3.56Å; W57-W75 HydrophobicContact CG-CD2 3.56Å; W57-W75 AromaticContact CG-CE2 3.75Å; W57-W75 AromaticContact CG-CE3 3.99Å; W57-W75 HydrophobicContact CG-CE3 3.99Å; W57-W75 AromaticContact CG-CG 3.79Å; W57-W75 HydrophobicContact CG-CG 3.79Å; W57-W75 HydrophobicContact CG-CZ2 4.34Å; W57-W75 HydrophobicContact CH2-CB 4.01Å; W57-W75 HydrophobicContact CH2-CG 4.39Å; W57-W75 HydrophobicContact CZ2-CB 4.22Å; W57-W75 AromaticContact CZ2-CD1 3.81Å; W57-W75 HydrophobicContact CZ2-CG 4.11Å; W57-W75 HydrophobicContact CZ3-CB 3.67Å; W57-W75 HydrophobicContact CZ3-CG 4.23Å; W57-W75 AromaticContact NE1-CD1 3.45Å; W57-W75 AromaticContact NE1-CE2 3.92Å; W57-W75 AromaticContact NE1-CG 3.93Å; W57-W75 AromaticContact NE1-NE1 3.42Å
58K95.7Very high95.1Very high151 Ų15165.7 Ų65.766%0.65735%0.347SS*.Hα-helixtrans-70.8-34.7175.9-69.4-65.6-175.4178.70113R54 Y55 L56R54-K58 WeakPolarHBondContact O-CG 3.38Å; R54-K58 PolarHBondContact O-N 2.87Å; R54-K58 VanDerWaalsContact O-N 3.14Å; Y55-K58 PolarHBondContact O-N 2.89Å; L56-K58 PolarHBondContact O-N 3.33Å
59R93.6Very high95.1Very high121 Ų12168.2 Ų68.246%0.45737%0.368SS..Hα-helixtrans-69.3-33.9179.8-173.1164.167.3-125.811.1113.5E24 Y55 L56 P61E24-R59 IonicContact OE1-CZ 3.19Å; E24-R59 IonicContact OE1-NE 2.7Å; E24-R59 PolarHBondContact OE1-NE 2.85Å; E24-R59 IonicContact OE1-NH2 2.86Å; E24-R59 PolarHBondContact OE1-NH2 3.48Å; E24-R59 IonicContact OE2-CZ 3.68Å; E24-R59 IonicContact OE2-NE 3.88Å; E24-R59 IonicContact OE2-NH2 2.84Å; E24-R59 PolarHBondContact OE2-NH2 3.21Å; Y55-R59 WeakPolarHBondContact O-CB 3.5Å; Y55-R59 PolarHBondContact O-N 2.99Å; L56-R59 WeakPolarHBondContact O-CB 3.02Å; L56-R59 PolarHBondContact O-N 3.39Å; R59-P61 WeakPolarHBondContact O-CD 3.11Å
60I94.4Very high95.1Very high2 Ų267.4 Ų67.41%0.0136%0.363CS..SBendtrans-60.7126.2-178.8-64169.8000110.9Y37 L56 I64 K65 L71Y37-I60 HydrophobicContact CD1-CD1 3.91Å; Y37-I60 HydrophobicContact CD1-CG1 3.63Å; Y37-I60 HydrophobicContact CD2-CD1 4.48Å; Y37-I60 HydrophobicContact CD2-CG1 4.14Å; Y37-I60 HydrophobicContact CD2-CG2 4.33Å; Y37-I60 HydrophobicContact CE1-CG1 3.92Å; Y37-I60 HydrophobicContact CE2-CG1 4.37Å; Y37-I60 HydrophobicContact CG-CD1 3.81Å; Y37-I60 HydrophobicContact CG-CG1 3.76Å; L56-I60 HydrophobicContact CD2-CD1 3.56Å; L56-I60 HydrophobicContact CD2-CG1 4.18Å; L56-I60 WeakPolarHBondContact O-CG1 3.48Å; L56-I60 PolarHBondContact O-N 2.93Å; L56-I60 VanDerWaalsContact O-N 3.08Å; I60-I64 HydrophobicContact CG2-CB 3.87Å; I60-I64 HydrophobicContact CG2-CG2 3.84Å; I60-K65 HydrophobicContact CG2-CG 3.95Å; I60-K65 VanDerWaalsContact O-CE 3.23Å; I60-K65 WeakPolarHBondContact O-CE 3.11Å; I60-K65 PolarHBondContact O-NZ 3.07Å; I60-L71 HydrophobicContact CD1-CD1 3.92Å; I60-L71 HydrophobicContact CD1-CD2 3.66Å; I60-L71 HydrophobicContact CD1-CG 4.24Å; I60-L71 HydrophobicContact CG2-CD2 3.91Å
61P94.5Very high95.1Very high32 Ų3266.5 Ų66.521%0.20836%0.358CS..  trans-55.6143.6177.2-2834.7000113.5I31 R59 A63 I64 K65I31-P61 HydrophobicContact CD1-CG 4.22Å; I31-P61 HydrophobicContact CG1-CG 4.25Å; I31-P61 HydrophobicContact CG2-CG 3.96Å; R59-P61 WeakPolarHBondContact O-CD 3.11Å; P61-A63 PolarHBondContact O-N 3.46Å; P61-I64 HydrophobicContact CG-CD1 4.37Å; P61-I64 PolarHBondContact O-N 3.46Å; P61-I64 VanDerWaalsContact O-N 3.1Å; P61-K65 PolarHBondContact O-N 3.39Å
62P94.6Very high95.1Very high104 Ų10463.4 Ų63.468%0.67535%0.349SS*.Hα-helixtrans-59.3-33.4-178.923.3-33.1000113.1I64 K65 S66P62-I64 VanDerWaalsContact C-N 3.3Å; P62-I64 PolarHBondContact O-N 2.96Å; P62-K65 WeakPolarHBondContact O-CB 3.12Å; P62-K65 PolarHBondContact O-N 2.94Å; P62-S66 PolarHBondContact O-N 2.95Å; P62-S66 PolarHBondContact O-OG 2.97Å
63A94.2Very high95.1Very high68 Ų6860.2 Ų60.256%0.56233%0.332SS*.Hα-helixtrans-59.8-38.2177.100000112.9P61 S66 A67P61-A63 PolarHBondContact O-N 3.46Å; A63-S66 PolarHBondContact O-OG 2.97Å; A63-A67 VanDerWaalsContact O-CB 3.25Å; A63-A67 WeakPolarHBondContact O-CB 3.36Å; A63-A67 PolarHBondContact O-N 3.43Å; A63-A67 VanDerWaalsContact O-N 3.07Å
64I94.2Very high95Very high23 Ų2360.3 Ų60.312%0.11833%0.333CS..Hα-helixtrans-71-41.4177.2-65.1-179000110.3I31 P34 Y37 I60 P61 P62 S66 A67 N68I31-I64 HydrophobicContact CG2-CD1 3.56Å; P34-I64 HydrophobicContact CB-CG2 4.01Å; P34-I64 HydrophobicContact CG-CG2 4Å; Y37-I64 HydrophobicContact CD2-CD1 4.09Å; Y37-I64 HydrophobicContact CD2-CG2 4.38Å; Y37-I64 HydrophobicContact CE2-CD1 3.76Å; I60-I64 HydrophobicContact CG2-CB 3.87Å; I60-I64 HydrophobicContact CG2-CG2 3.84Å; P61-I64 HydrophobicContact CG-CD1 4.37Å; P61-I64 PolarHBondContact O-N 3.46Å; P61-I64 VanDerWaalsContact O-N 3.1Å; P62-I64 VanDerWaalsContact C-N 3.3Å; P62-I64 PolarHBondContact O-N 2.96Å; I64-S66 VanDerWaalsContact C-N 3.33Å; I64-S66 PolarHBondContact O-N 2.89Å; I64-A67 PolarHBondContact O-N 3.2Å; I64-N68 PolarHBondContact O-N 2.9Å
65K95.2Very high95.1Very high53 Ų5356.3 Ų56.323%0.2332%0.318CS..Hα-helixtrans-62.1-39.7177.5-66.8173.6175.8146.30112.5W57 I60 P61 P62 L71W57-K65 HydrophobicContact CH2-CD 4.1Å; W57-K65 HydrophobicContact CH2-CG 4.01Å; W57-K65 HydrophobicContact CZ2-CD 3.96Å; W57-K65 HydrophobicContact CZ2-CG 4.38Å; W57-K65 HydrophobicContact CZ3-CG 4.29Å; W57-K65 WeakPolarHBondContact O-CE 3.45Å; W57-K65 PolarHBondContact O-NZ 3.28Å; I60-K65 HydrophobicContact CG2-CG 3.95Å; I60-K65 VanDerWaalsContact O-CE 3.23Å; I60-K65 WeakPolarHBondContact O-CE 3.11Å; I60-K65 PolarHBondContact O-NZ 3.07Å; P61-K65 PolarHBondContact O-N 3.39Å; P62-K65 WeakPolarHBondContact O-CB 3.12Å; P62-K65 PolarHBondContact O-N 2.94Å; K65-L71 HydrophobicContact CG-CD2 3.87Å
66S93.4Very high95.1Very high100 Ų10050.1 Ų50.170%0.69930%0.297SS*.Hα-helixtrans-74.1-33.5177.753.70000112.7P62 A63 I64P62-S66 PolarHBondContact O-N 2.95Å; P62-S66 PolarHBondContact O-OG 2.97Å; A63-S66 PolarHBondContact O-OG 2.97Å; I64-S66 VanDerWaalsContact C-N 3.33Å; I64-S66 PolarHBondContact O-N 2.89Å
67A93.8Very high95.2Very high88 Ų8850.1 Ų50.173%0.72730%0.297SS*.Hα-helixtrans-77.8-29.3-179.300000113A63 I64A63-A67 VanDerWaalsContact O-CB 3.25Å; A63-A67 WeakPolarHBondContact O-CB 3.36Å; A63-A67 PolarHBondContact O-N 3.43Å; A63-A67 VanDerWaalsContact O-N 3.07Å; I64-A67 PolarHBondContact O-N 3.2Å
68N92.6Very high95.2Very high36 Ų3648.3 Ų48.319%0.19329%0.29CS..  trans-11997.8-178.2-170.7-25.8000111P34 I64 E70 L71P34-N68 HydrophobicContact CB-CB 4.43Å; I64-N68 PolarHBondContact O-N 2.9Å; N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 2.8Å; N68-E70 WeakPolarHBondContact OD1-CA 3.5Å; N68-E70 WeakPolarHBondContact OD1-CB 3.45Å; N68-E70 PolarHBondContact OD1-N 3.19Å; N68-L71 HydrophobicContact CB-CB 4.47Å; N68-L71 WeakPolarHBondContact O-CB 3.42Å; N68-L71 PolarHBondContact O-N 3.13Å; N68-L71 PolarHBondContact OD1-N 3.34Å
69S93.3Very high95.2Very high105 Ų10546.1 Ų46.173%0.73428%0.282SS*.Hα-helixtrans-66.1-27.3177.754.90000113.4L71 G72 G73S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 3.16Å; S69-G72 PolarHBondContact O-N 3.48Å; S69-G72 VanDerWaalsContact O-N 3.14Å; S69-G73 PolarHBondContact O-N 3.17Å
70E94.8Very high95.4Very high38 Ų3845.4 Ų45.418%0.17828%0.28CS..Hα-helixtrans-60.1-39.7177.4-168.7-177.3173.900110.7N68 G72 G73 I74 W98 S99 V102N68-E70 VanDerWaalsContact C-N 3.28Å; N68-E70 PolarHBondContact O-N 2.8Å; N68-E70 WeakPolarHBondContact OD1-CA 3.5Å; N68-E70 WeakPolarHBondContact OD1-CB 3.45Å; N68-E70 PolarHBondContact OD1-N 3.19Å; E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 3Å; E70-G73 CarbonylContact O-C 3.53Å; E70-G73 WeakPolarHBondContact O-CA 3.23Å; E70-G73 PolarHBondContact O-N 3Å; E70-I74 HydrophobicContact CG-CD1 4.5Å; E70-I74 WeakPolarHBondContact O-CG1 3.4Å; E70-I74 PolarHBondContact O-N 2.62Å; E70-W98 HydrophobicContact CG-CE3 3.71Å; E70-W98 HydrophobicContact CG-CZ3 4.02Å; E70-S99 WeakPolarHBondContact OE1-CB 3.46Å; E70-S99 PolarHBondContact OE1-N 3.38Å; E70-S99 PolarHBondContact OE1-OG 2.97Å; E70-S99 WeakPolarHBondContact OE2-CB 3.43Å; E70-S99 PolarHBondContact OE2-OG 3.42Å; E70-V102 WeakPolarHBondContact OE1-CB 3.38Å
71L95.7Very high95.5Very high1 Ų146.1 Ų46.11%0.00528%0.283CS..Hα-helixtrans-59.5-40.7176.9-163.396.6000111.8W57 I60 K65 N68 S69 I74 W75W57-L71 HydrophobicContact CE3-CD2 3.97Å; W57-L71 HydrophobicContact CE3-CG 4.33Å; W57-L71 HydrophobicContact CH2-CD2 4.16Å; W57-L71 HydrophobicContact CZ3-CB 4.35Å; W57-L71 HydrophobicContact CZ3-CD2 3.34Å; W57-L71 HydrophobicContact CZ3-CG 3.68Å; W57-L71 WeakPolarHBondContact CZ3-O 3.49Å; I60-L71 HydrophobicContact CD1-CD1 3.92Å; I60-L71 HydrophobicContact CD1-CD2 3.66Å; I60-L71 HydrophobicContact CD1-CG 4.24Å; I60-L71 HydrophobicContact CG2-CD2 3.91Å; K65-L71 HydrophobicContact CG-CD2 3.87Å; N68-L71 HydrophobicContact CB-CB 4.47Å; N68-L71 WeakPolarHBondContact O-CB 3.42Å; N68-L71 PolarHBondContact O-N 3.13Å; N68-L71 PolarHBondContact OD1-N 3.34Å; S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 3.16Å; L71-I74 PolarHBondContact O-N 2.85Å; L71-W75 PolarHBondContact O-N 3.43Å
72G95.7Very high95.5Very high30 Ų3049.8 Ų49.831%0.30929%0.293SS..Hα-helixtrans-64.4-39.5172.600000112.4S69 E70 W75 S76S69-G72 PolarHBondContact O-N 3.48Å; S69-G72 VanDerWaalsContact O-N 3.14Å; E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 3Å; G72-W75 PolarHBondContact O-N 2.89Å; G72-S76 PolarHBondContact O-N 3.5Å
73G96.5Very high95.6Very high2 Ų251.7 Ų51.72%0.02129%0.293CS..Hα-helixtrans-58.5-49.4172.200000112.4S69 E70 W75 S76 V77 H96S69-G73 PolarHBondContact O-N 3.17Å; E70-G73 CarbonylContact O-C 3.53Å; E70-G73 WeakPolarHBondContact O-CA 3.23Å; E70-G73 PolarHBondContact O-N 3Å; G73-W75 VanDerWaalsContact C-N 3.32Å; G73-W75 PolarHBondContact O-N 3.03Å; G73-S76 WeakPolarHBondContact O-CB 3.34Å; G73-S76 PolarHBondContact O-N 2.9Å; G73-S76 VanDerWaalsContact O-N 3.12Å; G73-S76 PolarHBondContact O-OG 3.12Å; G73-V77 PolarHBondContact O-N 3.36Å; G73-H96 WeakPolarHBondContact CA-NE2 3.49Å
74I97.1Very high95.6Very high1 Ų158.4 Ų58.41%0.00530%0.304CS..Hα-helixtrans-59.6-45177.3-60.2166.3000110.1L41 A42 L45 E70 L71 S76 V77 G78 W98 V102L41-I74 HydrophobicContact CB-CG2 4.09Å; L41-I74 HydrophobicContact CD2-CB 4.06Å; L41-I74 HydrophobicContact CD2-CG2 3.73Å; L41-I74 HydrophobicContact CG-CG2 3.73Å; A42-I74 HydrophobicContact CB-CG2 4.23Å; L45-I74 HydrophobicContact CD1-CG2 3.94Å; L45-I74 WeakPolarHBondContact CD1-O 3.4Å; E70-I74 HydrophobicContact CG-CD1 4.5Å; E70-I74 WeakPolarHBondContact O-CG1 3.4Å; E70-I74 PolarHBondContact O-N 2.62Å; L71-I74 PolarHBondContact O-N 2.85Å; I74-S76 VanDerWaalsContact C-N 3.3Å; I74-S76 PolarHBondContact O-N 3.26Å; I74-V77 WeakPolarHBondContact O-CB 3.12Å; I74-V77 PolarHBondContact O-N 3.41Å; I74-G78 PolarHBondContact O-N 3.03Å; I74-G78 VanDerWaalsContact O-N 3.11Å; I74-W98 HydrophobicContact CB-CZ3 4.48Å; I74-W98 HydrophobicContact CG1-CE3 4.05Å; I74-W98 HydrophobicContact CG1-CH2 4.29Å; I74-W98 HydrophobicContact CG1-CZ3 3.57Å; I74-V102 HydrophobicContact CD1-CG1 3.88Å; I74-V102 HydrophobicContact CD1-CG2 4.25Å; I74-V102 HydrophobicContact CG1-CG1 4.22Å
75W97.2Very high95.6Very high34 Ų3459.7 Ų59.713%0.12931%0.311CS..Hα-helixtrans-64.9-33.4177.5-176.1-115.6000112.9L41 A53 R54 W57 L71 G72 G73 V77 G78 Q79L41-W75 HydrophobicContact CD1-CE3 4.07Å; L41-W75 HydrophobicContact CD1-CZ3 4.44Å; L41-W75 HydrophobicContact CD2-CB 4.16Å; A53-W75 HydrophobicContact CB-CZ3 4.31Å; R54-W75 HydrophobicContact CB-CH2 3.87Å; R54-W75 HydrophobicContact CG-CH2 4.18Å; W57-W75 HydrophobicContact CB-CD2 3.91Å; W57-W75 HydrophobicContact CB-CE3 3.79Å; W57-W75 HydrophobicContact CB-CH2 4.37Å; W57-W75 HydrophobicContact CB-CZ2 4.46Å; W57-W75 HydrophobicContact CB-CZ3 4.04Å; W57-W75 AromaticContact CD1-CD1 3.84Å; W57-W75 AromaticContact CD1-CD2 3.82Å; W57-W75 AromaticContact CD1-CE2 3.51Å; W57-W75 AromaticContact CD1-NE1 3.51Å; W57-W75 HydrophobicContact CD2-CB 3.83Å; W57-W75 AromaticContact CD2-CD1 3.78Å; W57-W75 AromaticContact CD2-CD2 3.82Å; W57-W75 HydrophobicContact CD2-CD2 3.82Å; W57-W75 HydrophobicContact CD2-CE3 4.44Å; W57-W75 AromaticContact CD2-CG 3.49Å; W57-W75 HydrophobicContact CD2-CG 3.49Å; W57-W75 VanDerWaalsContact CD2-CG 3.49Å; W57-W75 AromaticContact CE2-CD1 3.42Å; W57-W75 VanDerWaalsContact CE2-CD1 3.42Å; W57-W75 AromaticContact CE2-CG 3.63Å; W57-W75 AromaticContact CE2-NE1 3.89Å; W57-W75 HydrophobicContact CE3-CB 3.61Å; W57-W75 HydrophobicContact CE3-CD2 4.36Å; W57-W75 AromaticContact CE3-CG 3.83Å; W57-W75 HydrophobicContact CE3-CG 3.83Å; W57-W75 AromaticContact CG-CD2 3.56Å; W57-W75 HydrophobicContact CG-CD2 3.56Å; W57-W75 AromaticContact CG-CE2 3.75Å; W57-W75 AromaticContact CG-CE3 3.99Å; W57-W75 HydrophobicContact CG-CE3 3.99Å; W57-W75 AromaticContact CG-CG 3.79Å; W57-W75 HydrophobicContact CG-CG 3.79Å; W57-W75 HydrophobicContact CG-CZ2 4.34Å; W57-W75 HydrophobicContact CH2-CB 4.01Å; W57-W75 HydrophobicContact CH2-CG 4.39Å; W57-W75 HydrophobicContact CZ2-CB 4.22Å; W57-W75 AromaticContact CZ2-CD1 3.81Å; W57-W75 HydrophobicContact CZ2-CG 4.11Å; W57-W75 HydrophobicContact CZ3-CB 3.67Å; W57-W75 HydrophobicContact CZ3-CG 4.23Å; W57-W75 AromaticContact NE1-CD1 3.45Å; W57-W75 AromaticContact NE1-CE2 3.92Å; W57-W75 AromaticContact NE1-CG 3.93Å; W57-W75 AromaticContact NE1-NE1 3.42Å; L71-W75 PolarHBondContact O-N 3.43Å; G72-W75 PolarHBondContact O-N 2.89Å; G73-W75 VanDerWaalsContact C-N 3.32Å; G73-W75 PolarHBondContact O-N 3.03Å; W75-V77 VanDerWaalsContact C-N 3.26Å; W75-V77 PolarHBondContact O-N 2.93Å; W75-G78 CarbonylContact O-C 3.52Å; W75-G78 WeakPolarHBondContact O-CA 3.26Å; W75-G78 PolarHBondContact O-N 3.03Å; W75-Q79 WeakPolarHBondContact O-CG 3.32Å; W75-Q79 PolarHBondContact O-N 3.18Å
76S97.2Very high95.6Very high25 Ų2558.5 Ų58.518%0.17531%0.306CS..Hα-helixtrans-60.7-36.2174.6820000112.2G72 G73 I74 Q79 R80G72-S76 PolarHBondContact O-N 3.5Å; G73-S76 WeakPolarHBondContact O-CB 3.34Å; G73-S76 PolarHBondContact O-N 2.9Å; G73-S76 VanDerWaalsContact O-N 3.12Å; G73-S76 PolarHBondContact O-OG 3.12Å; I74-S76 VanDerWaalsContact C-N 3.3Å; I74-S76 PolarHBondContact O-N 3.26Å; S76-Q79 PolarHBondContact O-N 2.79Å; S76-R80 PolarHBondContact O-N 3.38Å
77V97.7Very high95.8Very high0 Ų056.3 Ų56.30%029%0.289CS..Hα-helixtrans-65.1-45.7171.1-177.30000109.9L45 G73 I74 W75 Q79 R80 I81 I89 I93 W98 M106 L109L45-V77 HydrophobicContact CD1-CB 4.47Å; G73-V77 PolarHBondContact O-N 3.36Å; I74-V77 WeakPolarHBondContact O-CB 3.12Å; I74-V77 PolarHBondContact O-N 3.41Å; W75-V77 VanDerWaalsContact C-N 3.26Å; W75-V77 PolarHBondContact O-N 2.93Å; V77-Q79 VanDerWaalsContact C-N 3.27Å; V77-Q79 PolarHBondContact O-N 2.83Å; V77-R80 WeakPolarHBondContact O-CB 3.32Å; V77-R80 PolarHBondContact O-N 3.47Å; V77-I81 HydrophobicContact CG1-CD1 4.08Å; V77-I81 WeakPolarHBondContact O-CG1 3.34Å; V77-I81 PolarHBondContact O-N 3.39Å; V77-I89 HydrophobicContact CG1-CG2 4.2Å; V77-I93 HydrophobicContact CG1-CD1 4.24Å; V77-I93 HydrophobicContact CG1-CG1 3.7Å; V77-I93 HydrophobicContact CG2-CG1 4.1Å; V77-W98 HydrophobicContact CG2-CH2 4.34Å; V77-W98 HydrophobicContact CG2-CZ2 4.29Å; V77-M106 HydrophobicContact CB-CE 4.3Å; V77-M106 HydrophobicContact CG1-CE 4.27Å; V77-M106 HydrophobicContact CG2-CE 3.74Å; V77-L109 HydrophobicContact CG1-CD2 4.03Å
78G97.1Very high95.9Very high0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-55.9-38175.100000113.8M50 I74 W75 R80 I81 W82M50-G78 WeakPolarHBondContact CE-O 3.44Å; I74-G78 PolarHBondContact O-N 3.03Å; I74-G78 VanDerWaalsContact O-N 3.11Å; W75-G78 CarbonylContact O-C 3.52Å; W75-G78 WeakPolarHBondContact O-CA 3.26Å; W75-G78 PolarHBondContact O-N 3.03Å; G78-R80 PolarHBondContact O-N 3.31Å; G78-I81 PolarHBondContact O-N 3.11Å; G78-W82 PolarHBondContact O-N 3.37Å
79Q97.1Very high96.1Very high105 Ų10551 Ų5149%0.49125%0.249SC..Hα-helixtrans-63.3-41175.2-69.2175.2-43.600112.1W75 S76 V77 W82 Q83W75-Q79 WeakPolarHBondContact O-CG 3.32Å; W75-Q79 PolarHBondContact O-N 3.18Å; S76-Q79 PolarHBondContact O-N 2.79Å; V77-Q79 VanDerWaalsContact C-N 3.27Å; V77-Q79 PolarHBondContact O-N 2.83Å; Q79-W82 PolarHBondContact O-N 3.4Å; Q79-Q83 WeakPolarHBondContact O-CG 3.34Å; Q79-Q83 PolarHBondContact O-N 3.5Å; Q79-Q83 VanDerWaalsContact O-N 3.1Å
80R97.4Very high96.3Very high107 Ų10746.5 Ų46.540%0.40422%0.217SC..Hα-helixtrans-66.8-39.5175.9-61.3-65.6-178.4145.8-0.1111.7S76 V77 G78 Q83 R84 D85 I89 T92S76-R80 PolarHBondContact O-N 3.38Å; V77-R80 WeakPolarHBondContact O-CB 3.32Å; V77-R80 PolarHBondContact O-N 3.47Å; G78-R80 PolarHBondContact O-N 3.31Å; R80-Q83 PolarHBondContact O-N 3.42Å; R80-R84 PolarHBondContact O-N 2.85Å; R80-D85 WeakPolarHBondContact CD-OD2 3.25Å; R80-D85 IonicContact CZ-OD2 3.67Å; R80-D85 IonicContact NE-OD2 3.92Å; R80-D85 IonicContact NH1-OD2 2.67Å; R80-D85 PolarHBondContact NH1-OD2 3.01Å; R80-D85 PolarHBondContact O-N 2.78Å; R80-I89 HydrophobicContact CB-CB 4.48Å; R80-I89 HydrophobicContact CB-CG1 3.7Å; R80-T92 HydrophobicContact CG-CG2 3.84Å
81I96.3Very high96.3Very high16 Ų1649.3 Ų49.38%0.08224%0.236CC..Hα-helixtrans-61-45.1173.4-61.8167.8000110.7L45 M50 V77 G78 Q83 R84 I89 L109L45-I81 HydrophobicContact CB-CD1 3.98Å; L45-I81 HydrophobicContact CD1-CD1 4.28Å; L45-I81 HydrophobicContact CD2-CD1 4.11Å; L45-I81 HydrophobicContact CG-CD1 4.33Å; M50-I81 HydrophobicContact CE-CB 4.15Å; M50-I81 HydrophobicContact CE-CG2 4.18Å; M50-I81 HydrophobicContact CG-CG2 4.09Å; M50-I81 HydrophobicContact SD-CB 3.98Å; M50-I81 HydrophobicContact SD-CG2 3.43Å; M50-I81 WeakPolarHBondContact SD-CG2 3.39Å; V77-I81 HydrophobicContact CG1-CD1 4.08Å; V77-I81 WeakPolarHBondContact O-CG1 3.34Å; V77-I81 PolarHBondContact O-N 3.39Å; G78-I81 PolarHBondContact O-N 3.11Å; I81-Q83 VanDerWaalsContact C-N 3.32Å; I81-Q83 PolarHBondContact O-N 2.96Å; I81-R84 PolarHBondContact O-N 3.41Å; I81-I89 HydrophobicContact CB-CD1 4.33Å; I81-I89 HydrophobicContact CG1-CD1 3.74Å; I81-I89 HydrophobicContact CG1-CG1 3.81Å; I81-I89 HydrophobicContact CG1-CG2 4.27Å; I81-L109 HydrophobicContact CD1-CD1 4.18Å; I81-L109 HydrophobicContact CD1-CD2 4.31Å
82W94.9Very high96.3Very high109 Ų10950 Ų5041%0.41324%0.241SC..Hα-helixtrans-59.3-41.7177.8-174.2-83.3000112.5M50 G78 Q79 R84M50-W82 HydrophobicContact CB-CE3 3.8Å; M50-W82 HydrophobicContact CB-CZ3 3.89Å; M50-W82 HydrophobicContact CE-CB 4.08Å; M50-W82 HydrophobicContact CE-CE3 4.21Å; G78-W82 PolarHBondContact O-N 3.37Å; Q79-W82 PolarHBondContact O-N 3.4Å; W82-R84 PolarHBondContact O-N 2.67Å
83Q95.3Very high96.3Very high144 Ų14448.9 Ų48.967%0.67323%0.228SC*.THydrogen-bonded Turntrans-79.4-2.7177.5-63.2-63.2-9.800113.7Q79 R80 I81 D85Q79-Q83 WeakPolarHBondContact O-CG 3.34Å; Q79-Q83 PolarHBondContact O-N 3.5Å; Q79-Q83 VanDerWaalsContact O-N 3.1Å; R80-Q83 PolarHBondContact O-N 3.42Å; I81-Q83 VanDerWaalsContact C-N 3.32Å; I81-Q83 PolarHBondContact O-N 2.96Å; Q83-D85 PolarHBondContact O-N 3.19Å
84R94.1Very high96.2Very high209 Ų20954 Ų5479%0.78926%0.255SS*.THydrogen-bonded Turntrans55.530.3-174.5-55.1179.4177.3176.8-1.9113.4R80 I81 W82 F86R80-R84 PolarHBondContact O-N 2.85Å; I81-R84 PolarHBondContact O-N 3.41Å; W82-R84 PolarHBondContact O-N 2.67Å; R84-F86 WeakPolarHBondContact O-CD2 3.47Å; R84-F86 PolarHBondContact O-N 3.14Å; R84-F86 VanDerWaalsContact O-N 3.16Å
85D96.1Very high96Very high50 Ų5057 Ų5727%0.26728%0.279SS..  trans-85.282.2177.8174.219.4000109.9R80 Q83 P87 G88 I89R80-D85 WeakPolarHBondContact CD-OD2 3.25Å; R80-D85 IonicContact CZ-OD2 3.67Å; R80-D85 IonicContact NE-OD2 3.92Å; R80-D85 IonicContact NH1-OD2 2.67Å; R80-D85 PolarHBondContact NH1-OD2 3.01Å; R80-D85 PolarHBondContact O-N 2.78Å; Q83-D85 PolarHBondContact O-N 3.19Å; D85-P87 WeakPolarHBondContact OD1-CD 3.35Å; D85-G88 PolarHBondContact O-N 2.94Å; D85-G88 VanDerWaalsContact O-N 3.14Å; D85-G88 PolarHBondContact OD1-N 3.47Å; D85-G88 WeakPolarHBondContact OD2-CA 3.38Å; D85-I89 WeakPolarHBondContact O-CG1 3.45Å; D85-I89 PolarHBondContact O-N 3.23Å
86F95.3Very high95.7Very high29 Ų2958.7 Ų58.713%0.12729%0.288CS..Hα-helixtrans-52.5-50.7-177.1-71.8-88.9000113.6R84 G88 I89 Y90 T113 A117 L120 F136R84-F86 WeakPolarHBondContact O-CD2 3.47Å; R84-F86 PolarHBondContact O-N 3.14Å; R84-F86 VanDerWaalsContact O-N 3.16Å; F86-G88 VanDerWaalsContact C-N 3.3Å; F86-G88 PolarHBondContact O-N 2.95Å; F86-I89 WeakPolarHBondContact O-CB 3.33Å; F86-I89 PolarHBondContact O-N 3.16Å; F86-I89 VanDerWaalsContact O-N 3.11Å; F86-Y90 HydrophobicContact CB-CE2 4.45Å; F86-Y90 WeakPolarHBondContact O-CD2 3.44Å; F86-Y90 WeakPolarHBondContact O-CE2 2.97Å; F86-Y90 PolarHBondContact O-N 2.91Å; F86-T113 HydrophobicContact CD1-CG2 3.93Å; F86-T113 HydrophobicContact CE1-CG2 4.22Å; F86-A117 HydrophobicContact CD1-CB 3.76Å; F86-A117 HydrophobicContact CE1-CB 3.67Å; F86-A117 HydrophobicContact CZ-CB 4.45Å; F86-L120 HydrophobicContact CE2-CD2 4.01Å; F86-L120 HydrophobicContact CZ-CD2 4Å; F86-F136 HydrophobicContact CD2-CD1 4.17Å; F86-F136 HydrophobicContact CD2-CE1 4.26Å; F86-F136 HydrophobicContact CE2-CD1 4.38Å; F86-F136 HydrophobicContact CE2-CE1 4.34Å
87P96Very high95.4Very high54 Ų5466.1 Ų66.135%0.35132%0.32SS..Hα-helixtrans-56-46.2176.3-24.734.1000112.1D85 I89 Y90 T91 A135D85-P87 WeakPolarHBondContact OD1-CD 3.35Å; P87-I89 VanDerWaalsContact C-N 3.29Å; P87-I89 PolarHBondContact O-N 3.3Å; P87-Y90 PolarHBondContact O-N 3.36Å; P87-T91 PolarHBondContact O-N 3.32Å; P87-T91 PolarHBondContact O-OG1 3.45Å; P87-T91 VanDerWaalsContact O-OG1 3.11Å; P87-A135 HydrophobicContact CG-CB 3.95Å
88G96.5Very high95.2Very high6 Ų667.1 Ų67.16%0.06232%0.324CS..Hα-helixtrans-61.6-33.3178.100000113.8D85 F86 T91 T92D85-G88 PolarHBondContact O-N 2.94Å; D85-G88 VanDerWaalsContact O-N 3.14Å; D85-G88 PolarHBondContact OD1-N 3.47Å; D85-G88 WeakPolarHBondContact OD2-CA 3.38Å; F86-G88 VanDerWaalsContact C-N 3.3Å; F86-G88 PolarHBondContact O-N 2.95Å; G88-T91 PolarHBondContact O-N 2.9Å; G88-T92 WeakPolarHBondContact O-CB 3.46Å; G88-T92 VanDerWaalsContact O-CG2 3.31Å; G88-T92 WeakPolarHBondContact O-CG2 3.46Å; G88-T92 PolarHBondContact O-N 3.1Å; G88-T92 PolarHBondContact O-OG1 3.37Å
89I96.9Very high95Very high5 Ų569 Ų693%0.02634%0.337CS..Hα-helixtrans-60.4-50.7174.2-63.3164.6000109.8V77 R80 I81 D85 F86 P87 T91 T92 I93 T113V77-I89 HydrophobicContact CG1-CG2 4.2Å; R80-I89 HydrophobicContact CB-CB 4.48Å; R80-I89 HydrophobicContact CB-CG1 3.7Å; I81-I89 HydrophobicContact CB-CD1 4.33Å; I81-I89 HydrophobicContact CG1-CD1 3.74Å; I81-I89 HydrophobicContact CG1-CG1 3.81Å; I81-I89 HydrophobicContact CG1-CG2 4.27Å; D85-I89 WeakPolarHBondContact O-CG1 3.45Å; D85-I89 PolarHBondContact O-N 3.23Å; F86-I89 WeakPolarHBondContact O-CB 3.33Å; F86-I89 PolarHBondContact O-N 3.16Å; F86-I89 VanDerWaalsContact O-N 3.11Å; P87-I89 VanDerWaalsContact C-N 3.29Å; P87-I89 PolarHBondContact O-N 3.3Å; I89-T91 PolarHBondContact O-N 3.17Å; I89-T92 PolarHBondContact O-N 3.05Å; I89-T92 PolarHBondContact O-OG1 2.7Å; I89-I93 HydrophobicContact CG2-CD1 3.66Å; I89-I93 HydrophobicContact CG2-CG1 4.37Å; I89-I93 WeakPolarHBondContact O-CB 3.5Å; I89-I93 VanDerWaalsContact O-CG1 3.22Å; I89-I93 WeakPolarHBondContact O-CG1 3.35Å; I89-I93 PolarHBondContact O-N 3.28Å; I89-T113 HydrophobicContact CD1-CG2 4.04Å; I89-T113 HydrophobicContact CG2-CG2 4.07Å
90Y96.6Very high94.8Very high12 Ų1272.8 Ų72.85%0.04736%0.355CS..Hα-helixtrans-64.2-41.9-179.9-61.4-69000112.4F86 P87 I93 N94 R110 T113 R114 F136 V137 G138F86-Y90 HydrophobicContact CB-CE2 4.45Å; F86-Y90 WeakPolarHBondContact O-CD2 3.44Å; F86-Y90 WeakPolarHBondContact O-CE2 2.97Å; F86-Y90 PolarHBondContact O-N 2.91Å; P87-Y90 PolarHBondContact O-N 3.36Å; Y90-I93 PolarHBondContact O-N 3.35Å; Y90-N94 PolarHBondContact O-N 2.99Å; Y90-N94 VanDerWaalsContact O-N 3.16Å; Y90-N94 PolarHBondContact O-ND2 3.09Å; Y90-N94 VanDerWaalsContact O-ND2 3.17Å; Y90-R110 HydrophobicContact CD1-CG 4Å; Y90-R110 HydrophobicContact CE1-CG 4.07Å; Y90-T113 HydrophobicContact CE1-CG2 4.45Å; Y90-R114 WeakPolarHBondContact OH-CA 3.49Å; Y90-R114 PolarHBondContact OH-N 2.94Å; Y90-R114 VanDerWaalsContact OH-N 3.15Å; Y90-F136 WeakPolarHBondContact CE2-O 3.23Å; Y90-F136 PolarHBondContact OH-O 2.91Å; Y90-V137 PolarHBondContact OH-O 2.83Å; Y90-G138 VanDerWaalsContact CD2-CA 3.4Å
91T96.2Very high94.4Very high96 Ų9670.5 Ų70.559%0.58935%0.353SS*.Hα-helixtrans-60.8-46.2176.8-540000111.4P87 G88 I89 N94 A95P87-T91 PolarHBondContact O-N 3.32Å; P87-T91 PolarHBondContact O-OG1 3.45Å; P87-T91 VanDerWaalsContact O-OG1 3.11Å; G88-T91 PolarHBondContact O-N 2.9Å; I89-T91 PolarHBondContact O-N 3.17Å; T91-N94 PolarHBondContact O-N 2.98Å; T91-A95 WeakPolarHBondContact O-CB 3.33Å; T91-A95 PolarHBondContact O-N 2.85Å
92T96Very high94.3Very high16 Ų1669.9 Ų69.910%0.09835%0.35CS..Hα-helixtrans-70.7-34.4-177.749.40000113.1R80 G88 I89 N94 A95 H96R80-T92 HydrophobicContact CG-CG2 3.84Å; G88-T92 WeakPolarHBondContact O-CB 3.46Å; G88-T92 VanDerWaalsContact O-CG2 3.31Å; G88-T92 WeakPolarHBondContact O-CG2 3.46Å; G88-T92 PolarHBondContact O-N 3.1Å; G88-T92 PolarHBondContact O-OG1 3.37Å; I89-T92 PolarHBondContact O-N 3.05Å; I89-T92 PolarHBondContact O-OG1 2.7Å; T92-N94 VanDerWaalsContact C-N 3.34Å; T92-A95 PolarHBondContact O-N 3.33Å; T92-H96 PolarHBondContact O-ND1 2.98Å
93I95.4Very high94.3Very high7 Ų767.8 Ų67.84%0.03635%0.345CS..Hα-helixtrans-61.3-42.9172.4-70.3170.2000110.9V77 I89 Y90 W98 M106 L109 R110V77-I93 HydrophobicContact CG1-CD1 4.24Å; V77-I93 HydrophobicContact CG1-CG1 3.7Å; V77-I93 HydrophobicContact CG2-CG1 4.1Å; I89-I93 HydrophobicContact CG2-CD1 3.66Å; I89-I93 HydrophobicContact CG2-CG1 4.37Å; I89-I93 WeakPolarHBondContact O-CB 3.5Å; I89-I93 VanDerWaalsContact O-CG1 3.22Å; I89-I93 WeakPolarHBondContact O-CG1 3.35Å; I89-I93 PolarHBondContact O-N 3.28Å; Y90-I93 PolarHBondContact O-N 3.35Å; I93-W98 PolarHBondContact O-NE1 3.5Å; I93-M106 HydrophobicContact CB-CE 4.46Å; I93-M106 HydrophobicContact CG1-CE 3.84Å; I93-M106 HydrophobicContact CG2-CE 4.46Å; I93-L109 HydrophobicContact CD1-CD2 4.27Å; I93-L109 HydrophobicContact CD1-CG 4.26Å; I93-R110 HydrophobicContact CD1-CB 4.19Å
94N93.9Very high94.3Very high109 Ų10963.8 Ų63.858%0.58333%0.331SS*.Hα-helixtrans-83.5-12.2-177.6-65.3-31.5000113.7Y90 T91 T92 H96Y90-N94 PolarHBondContact O-N 2.99Å; Y90-N94 VanDerWaalsContact O-N 3.16Å; Y90-N94 PolarHBondContact O-ND2 3.09Å; Y90-N94 VanDerWaalsContact O-ND2 3.17Å; T91-N94 PolarHBondContact O-N 2.98Å; T92-N94 VanDerWaalsContact C-N 3.34Å; N94-H96 VanDerWaalsContact C-N 3.34Å
95A92.9Very high94.3Very high63 Ų6353.9 Ų53.952%0.52129%0.294SS..THydrogen-bonded Turntrans-75.2-20.1-176.700000113.9T91 T92T91-A95 WeakPolarHBondContact O-CB 3.33Å; T91-A95 PolarHBondContact O-N 2.85Å; T92-A95 PolarHBondContact O-N 3.33Å
96H90.4Very high94.3Very high70 Ų7051.6 Ų51.632%0.32428%0.282SS..SBendtrans-116.8145.2-175.7-56.884000110.7G73 T92 N94 W98G73-H96 WeakPolarHBondContact CA-NE2 3.49Å; T92-H96 PolarHBondContact O-ND1 2.98Å; N94-H96 VanDerWaalsContact C-N 3.34Å; H96-W98 HydrophobicContact CB-CD2 4.19Å; H96-W98 HydrophobicContact CB-CE3 4.14Å; H96-W98 HydrophobicContact CB-CH2 3.54Å; H96-W98 HydrophobicContact CB-CZ2 3.57Å; H96-W98 HydrophobicContact CB-CZ3 3.82Å; H96-W98 AromaticContact CG-CH2 3.64Å; H96-W98 AromaticContact CG-CZ2 3.99Å; H96-W98 AromaticContact ND1-CH2 3.64Å; H96-W98 AromaticContact ND1-CZ2 3.89Å
97Q91.4Very high94.2Very high181 Ų18153.9 Ų53.985%0.84629%0.293SS*.PPolyproline II helixtrans-83.5116.6161.8-69.7101.557.400108.3
98W93.5Very high94.1Very high21 Ų2151.9 Ų51.98%0.0828%0.281CS..PPolyproline II helixtrans-85.7148.5178.9-49.6107.7000110.3E70 I74 V77 I93 H96 V102 Q103 M106E70-W98 HydrophobicContact CG-CE3 3.71Å; E70-W98 HydrophobicContact CG-CZ3 4.02Å; I74-W98 HydrophobicContact CB-CZ3 4.48Å; I74-W98 HydrophobicContact CG1-CE3 4.05Å; I74-W98 HydrophobicContact CG1-CH2 4.29Å; I74-W98 HydrophobicContact CG1-CZ3 3.57Å; V77-W98 HydrophobicContact CG2-CH2 4.34Å; V77-W98 HydrophobicContact CG2-CZ2 4.29Å; I93-W98 PolarHBondContact O-NE1 3.5Å; H96-W98 HydrophobicContact CB-CD2 4.19Å; H96-W98 HydrophobicContact CB-CE3 4.14Å; H96-W98 HydrophobicContact CB-CH2 3.54Å; H96-W98 HydrophobicContact CB-CZ2 3.57Å; H96-W98 HydrophobicContact CB-CZ3 3.82Å; H96-W98 AromaticContact CG-CH2 3.64Å; H96-W98 AromaticContact CG-CZ2 3.99Å; H96-W98 AromaticContact ND1-CH2 3.64Å; H96-W98 AromaticContact ND1-CZ2 3.89Å; W98-V102 HydrophobicContact CB-CB 4.28Å; W98-V102 HydrophobicContact CB-CG1 4.21Å; W98-V102 HydrophobicContact CD2-CG1 4.4Å; W98-V102 HydrophobicContact CE3-CG1 4.2Å; W98-V102 HydrophobicContact CG-CG1 4.42Å; W98-Q103 HydrophobicContact CB-CB 4.02Å; W98-Q103 VanDerWaalsContact CD1-OE1 3.23Å; W98-M106 HydrophobicContact CD2-CE 4.38Å; W98-M106 HydrophobicContact CD2-CG 3.93Å; W98-M106 HydrophobicContact CG-CB 4.3Å; W98-M106 HydrophobicContact CG-CG 3.94Å; W98-M106 HydrophobicContact CH2-CE 3.97Å; W98-M106 HydrophobicContact CZ2-CE 3.41Å; W98-M106 VanDerWaalsContact CZ2-CE 3.41Å
99S93.1Very high94.1Very high39 Ų3951.6 Ų51.627%0.27328%0.278SS..PPolyproline II helixtrans-61158.6170.357.60000111.2E70 T101 V102 Q103E70-S99 WeakPolarHBondContact OE1-CB 3.46Å; E70-S99 PolarHBondContact OE1-N 3.38Å; E70-S99 PolarHBondContact OE1-OG 2.97Å; E70-S99 WeakPolarHBondContact OE2-CB 3.43Å; E70-S99 PolarHBondContact OE2-OG 3.42Å; S99-T101 PolarHBondContact O-N 3.21Å; S99-T101 PolarHBondContact OG-OG1 3.33Å; S99-T101 VanDerWaalsContact OG-OG1 3.08Å; S99-V102 PolarHBondContact O-N 3.45Å; S99-Q103 WeakPolarHBondContact O-CB 3.42Å; S99-Q103 PolarHBondContact O-N 3.32Å
100E91.7Very high94Very high186 Ų18654.5 Ų54.587%0.86929%0.288SS*.THydrogen-bonded Turntrans-56.2-25.7179.2-62.6-173.7165.300113.2P104E100-P104 VanDerWaalsContact O-CD 3.25Å; E100-P104 WeakPolarHBondContact O-CD 3.49Å
101T90.5Very high93.8Very high59 Ų5955.4 Ų55.436%0.36229%0.294SS..THydrogen-bonded Turntrans-79.6-26.5178.653.50000113.6Q39 S99 I105Q39-T101 PolarHBondContact NE2-O 3.11Å; S99-T101 PolarHBondContact O-N 3.21Å; S99-T101 PolarHBondContact OG-OG1 3.33Å; S99-T101 VanDerWaalsContact OG-OG1 3.08Å; T101-I105 WeakPolarHBondContact O-CD1 3.44Å
102V94.2Very high93.7Very high2 Ų250.8 Ų50.81%0.01227%0.266CS..THydrogen-bonded Turntrans-105.5-34.4-174.5175.30000112Q39 A42 E70 I74 W98 S99 I105 M106Q39-V102 HydrophobicContact CG-CG2 4.46Å; A42-V102 HydrophobicContact CB-CG1 4.25Å; E70-V102 WeakPolarHBondContact OE1-CB 3.38Å; I74-V102 HydrophobicContact CD1-CG1 3.88Å; I74-V102 HydrophobicContact CD1-CG2 4.25Å; I74-V102 HydrophobicContact CG1-CG1 4.22Å; W98-V102 HydrophobicContact CB-CB 4.28Å; W98-V102 HydrophobicContact CB-CG1 4.21Å; W98-V102 HydrophobicContact CD2-CG1 4.4Å; W98-V102 HydrophobicContact CE3-CG1 4.2Å; W98-V102 HydrophobicContact CG-CG1 4.42Å; S99-V102 PolarHBondContact O-N 3.45Å; V102-I105 WeakPolarHBondContact O-CA 3.26Å; V102-I105 WeakPolarHBondContact O-CB 3.02Å; V102-I105 PolarHBondContact O-N 2.72Å; V102-M106 HydrophobicContact CG1-CG 3.63Å; V102-M106 HydrophobicContact CG1-SD 4.44Å; V102-M106 PolarHBondContact O-N 2.82Å
103Q94.6Very high93.7Very high66 Ų6650.3 Ų50.331%0.30826%0.263SS..Hα-helixtrans-45.1-52.9178.5-178.168.225.400114W98 S99 I105 M106 E107W98-Q103 HydrophobicContact CB-CB 4.02Å; W98-Q103 VanDerWaalsContact CD1-OE1 3.23Å; S99-Q103 WeakPolarHBondContact O-CB 3.42Å; S99-Q103 PolarHBondContact O-N 3.32Å; Q103-I105 VanDerWaalsContact C-N 3.26Å; Q103-I105 PolarHBondContact O-N 3.29Å; Q103-M106 PolarHBondContact O-N 2.74Å; Q103-E107 PolarHBondContact NE2-OE1 3.05Å; Q103-E107 PolarHBondContact O-N 2.81Å
104P94Very high93.6Very high60 Ų6053 Ų5339%0.3927%0.272SS..Hα-helixtrans-64.3-30.8-179.324.8-35000113E100 A108E100-P104 VanDerWaalsContact O-CD 3.25Å; E100-P104 WeakPolarHBondContact O-CD 3.49Å; P104-A108 WeakPolarHBondContact O-CB 3.46Å; P104-A108 PolarHBondContact O-N 2.87Å; P104-A108 VanDerWaalsContact O-N 3.12Å
105I94.7Very high93.5Very high1 Ų150.5 Ų50.51%0.00526%0.255CS..Hα-helixtrans-71.4-40.2177.9-50170.2000109.7F13 L16 Q39 A42 L43 L46 T101 V102 Q103 A108 L109F13-I105 HydrophobicContact CD1-CG1 4.26Å; F13-I105 HydrophobicContact CE1-CG1 3.93Å; L16-I105 HydrophobicContact CD2-CD1 4.27Å; Q39-I105 HydrophobicContact CB-CD1 4.24Å; Q39-I105 HydrophobicContact CG-CD1 4.12Å; A42-I105 HydrophobicContact CB-CB 4.25Å; A42-I105 HydrophobicContact CB-CD1 4.5Å; A42-I105 HydrophobicContact CB-CG2 3.75Å; L43-I105 HydrophobicContact CD2-CD1 4.31Å; L43-I105 HydrophobicContact CD2-CG1 4.47Å; L43-I105 HydrophobicContact CD2-CG2 3.89Å; L43-I105 HydrophobicContact CG-CD1 4.12Å; L43-I105 HydrophobicContact CG-CG2 4.16Å; L46-I105 HydrophobicContact CD2-CG2 4.29Å; T101-I105 WeakPolarHBondContact O-CD1 3.44Å; V102-I105 WeakPolarHBondContact O-CA 3.26Å; V102-I105 WeakPolarHBondContact O-CB 3.02Å; V102-I105 PolarHBondContact O-N 2.72Å; Q103-I105 VanDerWaalsContact C-N 3.26Å; Q103-I105 PolarHBondContact O-N 3.29Å; I105-A108 PolarHBondContact O-N 3.48Å; I105-L109 WeakPolarHBondContact O-CB 3.44Å; I105-L109 PolarHBondContact O-N 3.15Å
106M95.7Very high93.5Very high1 Ų149.5 Ų49.51%0.00524%0.238CC..Hα-helixtrans-68.9-35.9178.5-67.3-58.5-7800112.6A42 V77 I93 W98 V102 Q103 L109 R110A42-M106 HydrophobicContact CB-SD 4.29Å; V77-M106 HydrophobicContact CB-CE 4.3Å; V77-M106 HydrophobicContact CG1-CE 4.27Å; V77-M106 HydrophobicContact CG2-CE 3.74Å; I93-M106 HydrophobicContact CB-CE 4.46Å; I93-M106 HydrophobicContact CG1-CE 3.84Å; I93-M106 HydrophobicContact CG2-CE 4.46Å; W98-M106 HydrophobicContact CD2-CE 4.38Å; W98-M106 HydrophobicContact CD2-CG 3.93Å; W98-M106 HydrophobicContact CG-CB 4.3Å; W98-M106 HydrophobicContact CG-CG 3.94Å; W98-M106 HydrophobicContact CH2-CE 3.97Å; W98-M106 HydrophobicContact CZ2-CE 3.41Å; W98-M106 VanDerWaalsContact CZ2-CE 3.41Å; V102-M106 HydrophobicContact CG1-CG 3.63Å; V102-M106 HydrophobicContact CG1-SD 4.44Å; V102-M106 PolarHBondContact O-N 2.82Å; Q103-M106 PolarHBondContact O-N 2.74Å; M106-L109 HydrophobicContact CE-CD2 4.18Å; M106-L109 WeakPolarHBondContact O-CB 3.44Å; M106-L109 PolarHBondContact O-N 3.05Å; M106-L109 HydrophobicContact SD-CD2 3.89Å; M106-R110 PolarHBondContact O-N 3.17Å
107E94.3Very high93.6Very high77 Ų7746.1 Ų46.136%0.3622%0.222SC..Hα-helixtrans-64.5-44.8171.3-71.3176.8-169.800111.6Q103 L109 R110 D111Q103-E107 PolarHBondContact NE2-OE1 3.05Å; Q103-E107 PolarHBondContact O-N 2.81Å; E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 3.04Å; E107-R110 WeakPolarHBondContact O-CB 3.39Å; E107-R110 PolarHBondContact O-N 3.39Å; E107-D111 PolarHBondContact O-N 3.44Å
108A94.5Very high93.6Very high12 Ų1239.5 Ų39.510%0.09919%0.191CC..Hα-helixtrans-61.4-37.9173.900000112F13 L46 P104 I105 D111 A112F13-A108 HydrophobicContact CD2-CB 4.26Å; F13-A108 HydrophobicContact CE2-CB 3.5Å; F13-A108 VanDerWaalsContact CE2-CB 3.5Å; F13-A108 HydrophobicContact CZ-CB 3.84Å; L46-A108 HydrophobicContact CD1-CB 4.02Å; L46-A108 HydrophobicContact CD2-CB 4.33Å; P104-A108 WeakPolarHBondContact O-CB 3.46Å; P104-A108 PolarHBondContact O-N 2.87Å; P104-A108 VanDerWaalsContact O-N 3.12Å; I105-A108 PolarHBondContact O-N 3.48Å; A108-D111 PolarHBondContact O-N 3.33Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 3.38Å
109L95.1Very high93.5Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-65.3-43.3176.3172.864.7000111.6L45 L46 V77 I81 I93 I105 M106 E107 D111 A112 T113L45-L109 HydrophobicContact CB-CD1 4.33Å; L45-L109 HydrophobicContact CB-CD2 4.11Å; L45-L109 WeakPolarHBondContact O-CD1 3.35Å; L46-L109 HydrophobicContact CD1-CB 4.19Å; V77-L109 HydrophobicContact CG1-CD2 4.03Å; I81-L109 HydrophobicContact CD1-CD1 4.18Å; I81-L109 HydrophobicContact CD1-CD2 4.31Å; I93-L109 HydrophobicContact CD1-CD2 4.27Å; I93-L109 HydrophobicContact CD1-CG 4.26Å; I105-L109 WeakPolarHBondContact O-CB 3.44Å; I105-L109 PolarHBondContact O-N 3.15Å; M106-L109 HydrophobicContact CE-CD2 4.18Å; M106-L109 WeakPolarHBondContact O-CB 3.44Å; M106-L109 PolarHBondContact O-N 3.05Å; M106-L109 HydrophobicContact SD-CD2 3.89Å; E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 3.04Å; L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 2.96Å; L109-A112 PolarHBondContact O-N 2.92Å; L109-T113 WeakPolarHBondContact O-CB 3.32Å; L109-T113 PolarHBondContact O-N 3.32Å; L109-T113 PolarHBondContact O-OG1 3.26Å
110R94.9Very high93.5Very high66 Ų6641.6 Ų41.625%0.24920%0.204CC..Hα-helixtrans-57.4-48.2174.8-179.5-174.264.6-150.6-5.8110.6Y90 I93 M106 E107 T113 R114Y90-R110 HydrophobicContact CD1-CG 4Å; Y90-R110 HydrophobicContact CE1-CG 4.07Å; I93-R110 HydrophobicContact CD1-CB 4.19Å; M106-R110 PolarHBondContact O-N 3.17Å; E107-R110 WeakPolarHBondContact O-CB 3.39Å; E107-R110 PolarHBondContact O-N 3.39Å; R110-T113 PolarHBondContact O-N 3.18Å; R110-R114 PolarHBondContact O-N 2.93Å
111D93.5Very high93.6Very high31 Ų3132.7 Ų32.717%0.16616%0.162CC..Hα-helixtrans-70.2-37.3-178.5-68.7-15.7000112.2M6 E107 A108 L109 R114 R115M6-D111 HydrophobicContact CE-CB 4.11Å; E107-D111 PolarHBondContact O-N 3.44Å; A108-D111 PolarHBondContact O-N 3.33Å; L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 2.96Å; D111-R114 PolarHBondContact O-N 2.96Å; D111-R114 IonicContact OD1-NH1 2.93Å; D111-R114 PolarHBondContact OD1-NH1 3.34Å; D111-R115 WeakPolarHBondContact O-CG 3.45Å; D111-R115 PolarHBondContact O-N 2.89Å
112A93.6Very high93.6Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-64.6-43173.700000111.7L46 A108 L109 R114 R115 R116 F179L46-A112 HydrophobicContact CD1-CB 3.97Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 3.38Å; L109-A112 PolarHBondContact O-N 2.92Å; A112-R114 VanDerWaalsContact C-N 3.35Å; A112-R114 PolarHBondContact O-N 2.84Å; A112-R115 PolarHBondContact O-N 3.48Å; A112-R116 WeakPolarHBondContact O-CG 3.5Å; A112-R116 PolarHBondContact O-N 2.94Å; A112-F179 HydrophobicContact CB-CD1 4.3Å; A112-F179 HydrophobicContact CB-CE1 4.4Å
113T94.8Very high93.4Very high6 Ų634.9 Ų34.94%0.03717%0.169CC..Hα-helixtrans-61.1-44175.2-57.70000110.7F86 I89 Y90 L109 R110 R115 R116 A117F86-T113 HydrophobicContact CD1-CG2 3.93Å; F86-T113 HydrophobicContact CE1-CG2 4.22Å; I89-T113 HydrophobicContact CD1-CG2 4.04Å; I89-T113 HydrophobicContact CG2-CG2 4.07Å; Y90-T113 HydrophobicContact CE1-CG2 4.45Å; L109-T113 WeakPolarHBondContact O-CB 3.32Å; L109-T113 PolarHBondContact O-N 3.32Å; L109-T113 PolarHBondContact O-OG1 3.26Å; R110-T113 PolarHBondContact O-N 3.18Å; T113-R115 PolarHBondContact O-N 2.9Å; T113-R116 PolarHBondContact O-N 2.86Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å; T113-A117 PolarHBondContact O-N 3.36Å
114R94.4Very high93.2Very high62 Ų6235 Ų3523%0.23418%0.182CC..Hα-helixtrans-59.7-45.6175.5-171.5178.3-60.1117.6-4112.4Y90 R110 D111 A112 R116 A117 F118 V137Y90-R114 WeakPolarHBondContact OH-CA 3.49Å; Y90-R114 PolarHBondContact OH-N 2.94Å; Y90-R114 VanDerWaalsContact OH-N 3.15Å; R110-R114 PolarHBondContact O-N 2.93Å; D111-R114 PolarHBondContact O-N 2.96Å; D111-R114 IonicContact OD1-NH1 2.93Å; D111-R114 PolarHBondContact OD1-NH1 3.34Å; A112-R114 VanDerWaalsContact C-N 3.35Å; A112-R114 PolarHBondContact O-N 2.84Å; R114-R116 PolarHBondContact O-N 3.13Å; R114-A117 PolarHBondContact O-N 3.4Å; R114-F118 WeakPolarHBondContact O-CB 3.29Å; R114-F118 PolarHBondContact O-N 3.4Å; R114-V137 HydrophobicContact CG-CB 4.14Å; R114-V137 WeakPolarHBondContact CG-O 3.35Å; R114-V137 PolarHBondContact NE-O 2.86Å
115R91.6Very high93.2Very high58 Ų5836.4 Ų36.422%0.21918%0.18CC..Hα-helixtrans-61.9-41.7175.6-72.7-171.7-70.8-84.2-0.6112.1D111 A112 T113 F118 A119 F176D111-R115 WeakPolarHBondContact O-CG 3.45Å; D111-R115 PolarHBondContact O-N 2.89Å; A112-R115 PolarHBondContact O-N 3.48Å; T113-R115 PolarHBondContact O-N 2.9Å; R115-F118 PolarHBondContact O-N 2.99Å; R115-A119 WeakPolarHBondContact O-CB 3.5Å; R115-A119 PolarHBondContact O-N 3.29Å; R115-F176 HydrophobicContact CB-CD1 4.35Å; R115-F176 HydrophobicContact CB-CE1 4.07Å; R115-F176 HydrophobicContact CG-CD1 4.42Å; R115-F176 HydrophobicContact CG-CE1 3.79Å
116R92.4Very high93Very high41 Ų4142.2 Ų42.216%0.15522%0.215CC..Hα-helixtrans-63.6-45.4176.4-73.9175.8-179.31479.5111.8L46 A112 T113 R114 A119 L120 F179L46-R116 PolarHBondContact O-NH1 2.92Å; L46-R116 PolarHBondContact O-NH2 3.07Å; A112-R116 WeakPolarHBondContact O-CG 3.5Å; A112-R116 PolarHBondContact O-N 2.94Å; T113-R116 PolarHBondContact O-N 2.86Å; R114-R116 PolarHBondContact O-N 3.13Å; R116-A119 PolarHBondContact O-N 3.32Å; R116-L120 VanDerWaalsContact O-CB 3.3Å; R116-L120 WeakPolarHBondContact O-CB 3.49Å; R116-L120 PolarHBondContact O-N 3.07Å; R116-F179 PolarHBondContact NE-O 2.87Å; R116-F179 VanDerWaalsContact NE-O 3.1Å; R116-F179 PolarHBondContact NH2-O 3.3Å; R116-F179 VanDerWaalsContact NH2-O 3.17Å
117A93.2Very high92.9Very high0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-60.4-46.3176.600000111.3F86 T113 R114 A119 L120 V121 F136 V137F86-A117 HydrophobicContact CD1-CB 3.76Å; F86-A117 HydrophobicContact CE1-CB 3.67Å; F86-A117 HydrophobicContact CZ-CB 4.45Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å; T113-A117 PolarHBondContact O-N 3.36Å; R114-A117 PolarHBondContact O-N 3.4Å; A117-A119 PolarHBondContact O-N 3.38Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.34Å; A117-V121 WeakPolarHBondContact O-CG2 3.38Å; A117-V121 PolarHBondContact O-N 3.35Å; A117-F136 HydrophobicContact CB-CB 4.46Å; A117-F136 WeakPolarHBondContact CB-O 3.27Å; A117-V137 HydrophobicContact CB-CG1 4.4Å
118F92.3Very high93Very high41 Ų4141.8 Ų41.818%0.1822%0.22CC..Hα-helixtrans-59.5-48.7176.9-170.4-87.2000112.2R114 R115 L120 V121 S122 F133 I148 Q151 W153R114-F118 WeakPolarHBondContact O-CB 3.29Å; R114-F118 PolarHBondContact O-N 3.4Å; R115-F118 PolarHBondContact O-N 2.99Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.14Å; F118-V121 PolarHBondContact O-N 3.01Å; F118-S122 WeakPolarHBondContact O-CB 3.15Å; F118-S122 PolarHBondContact O-N 3.16Å; F118-F133 HydrophobicContact CD2-CE2 4.2Å; F118-F133 AromaticContact CD2-CZ 3.91Å; F118-F133 HydrophobicContact CD2-CZ 3.91Å; F118-F133 HydrophobicContact CE2-CZ 4.05Å; F118-I148 HydrophobicContact CE2-CG2 3.98Å; F118-Q151 HydrophobicContact CE1-CG 4.15Å; F118-Q151 HydrophobicContact CZ-CB 4.16Å; F118-Q151 HydrophobicContact CZ-CG 3.79Å; F118-W153 HydrophobicContact CD1-CZ2 4.33Å; F118-W153 HydrophobicContact CD2-CH2 4.33Å; F118-W153 HydrophobicContact CE1-CH2 4.28Å; F118-W153 AromaticContact CE1-CZ2 3.63Å; F118-W153 HydrophobicContact CE1-CZ2 3.63Å; F118-W153 AromaticContact CE2-CH2 3.93Å; F118-W153 HydrophobicContact CE2-CH2 3.93Å; F118-W153 AromaticContact CE2-CZ2 3.92Å; F118-W153 HydrophobicContact CE2-CZ2 3.92Å; F118-W153 HydrophobicContact CE2-CZ3 4.44Å; F118-W153 AromaticContact CZ-CE2 3.76Å; F118-W153 AromaticContact CZ-CH2 3.88Å; F118-W153 HydrophobicContact CZ-CH2 3.88Å; F118-W153 AromaticContact CZ-CZ2 3.37Å; F118-W153 HydrophobicContact CZ-CZ2 3.37Å
119A90.4Very high93.1Very high28 Ų2844.7 Ų44.723%0.23123%0.233CC..Hα-helixtrans-65.8-32.9178.700000113R115 R116 A117 S122 Q123R115-A119 WeakPolarHBondContact O-CB 3.5Å; R115-A119 PolarHBondContact O-N 3.29Å; R116-A119 PolarHBondContact O-N 3.32Å; A117-A119 PolarHBondContact O-N 3.38Å; A119-S122 PolarHBondContact O-OG 3.4Å; A119-Q123 WeakPolarHBondContact O-CG 3.49Å; A119-Q123 PolarHBondContact O-N 2.96Å; A119-Q123 PolarHBondContact O-NE2 3.28Å; A119-Q123 VanDerWaalsContact O-NE2 3.09Å
120L92.5Very high93.1Very high76 Ų7645 Ų4540%0.39824%0.236SC..Hα-helixtrans-65.6-50.3173.6176.765.9000110.4F86 R116 A117 F118 S122 Q123 A124 F136F86-L120 HydrophobicContact CE2-CD2 4.01Å; F86-L120 HydrophobicContact CZ-CD2 4Å; R116-L120 VanDerWaalsContact O-CB 3.3Å; R116-L120 WeakPolarHBondContact O-CB 3.49Å; R116-L120 PolarHBondContact O-N 3.07Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.34Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.14Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-S122 PolarHBondContact O-N 2.96Å; L120-Q123 PolarHBondContact O-N 3.44Å; L120-A124 HydrophobicContact CD1-CB 4.25Å; L120-A124 VanDerWaalsContact O-CB 3.23Å; L120-A124 WeakPolarHBondContact O-CB 3.5Å; L120-A124 PolarHBondContact O-N 3.37Å; L120-F136 HydrophobicContact CD2-CE1 4.32Å
121V93.4Very high93.1Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-62.5-40.4-178.7174.60000111.1A117 F118 Q123 Y125 I128 F133 F136 W153 P164A117-V121 WeakPolarHBondContact O-CG2 3.38Å; A117-V121 PolarHBondContact O-N 3.35Å; F118-V121 PolarHBondContact O-N 3.01Å; V121-Q123 PolarHBondContact O-N 3.32Å; V121-Y125 HydrophobicContact CB-CD2 4.47Å; V121-Y125 HydrophobicContact CG1-CD2 4.29Å; V121-Y125 HydrophobicContact CG2-CD2 4.42Å; V121-Y125 PolarHBondContact O-N 2.91Å; V121-I128 HydrophobicContact CG1-CD1 4.21Å; V121-I128 HydrophobicContact CG1-CG2 4.02Å; V121-I128 HydrophobicContact CG2-CD1 4.31Å; V121-F133 HydrophobicContact CB-CD2 4.2Å; V121-F133 HydrophobicContact CB-CE2 4.31Å; V121-F133 HydrophobicContact CG1-CD2 3.81Å; V121-F133 HydrophobicContact CG1-CE2 4.18Å; V121-F133 HydrophobicContact CG2-CD2 4.1Å; V121-F133 HydrophobicContact CG2-CE2 4.49Å; V121-F136 HydrophobicContact CG2-CB 4.42Å; V121-F136 HydrophobicContact CG2-CD1 3.8Å; V121-F136 HydrophobicContact CG2-CE1 4.48Å; V121-F136 HydrophobicContact CG2-CG 4.39Å; V121-W153 HydrophobicContact CB-CH2 4.24Å; V121-W153 HydrophobicContact CG1-CH2 3.92Å; V121-W153 HydrophobicContact CG1-CZ3 3.89Å; V121-P164 HydrophobicContact CG1-CG 3.79Å
122S90.9Very high93.2Very high10 Ų1047.6 Ų47.67%0.0726%0.255CS..Hα-helixtrans-61.5-26.1178.982.50000114.1F118 A119 L120 K166F118-S122 WeakPolarHBondContact O-CB 3.15Å; F118-S122 PolarHBondContact O-N 3.16Å; A119-S122 PolarHBondContact O-OG 3.4Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-S122 PolarHBondContact O-N 2.96Å; S122-K166 VanDerWaalsContact O-CA 3.3Å; S122-K166 WeakPolarHBondContact O-CA 3.46Å
123Q90.2Very high93.3Very high97 Ų9747.7 Ų47.745%0.45326%0.255SS..Hα-helixtrans-103-34.8-175.9-67.8177.961.900113.5A119 L120 V121 P167A119-Q123 WeakPolarHBondContact O-CG 3.49Å; A119-Q123 PolarHBondContact O-N 2.96Å; A119-Q123 PolarHBondContact O-NE2 3.28Å; A119-Q123 VanDerWaalsContact O-NE2 3.09Å; L120-Q123 PolarHBondContact O-N 3.44Å; V121-Q123 PolarHBondContact O-N 3.32Å; Q123-P167 HydrophobicContact CG-CG 4.49Å
124A91.9Very high93.3Very high68 Ų6847.6 Ų47.656%0.56226%0.255SS*.Hα-helixtrans-94.1-23-170.900000113.8L120L120-A124 HydrophobicContact CD1-CB 4.25Å; L120-A124 VanDerWaalsContact O-CB 3.23Å; L120-A124 WeakPolarHBondContact O-CB 3.5Å; L120-A124 PolarHBondContact O-N 3.37Å
125Y92Very high93.4Very high90 Ų9046.5 Ų46.535%0.35326%0.259SS..  trans-113.9133.8-176.5-70.1-97.2000111.5V121 I128V121-Y125 HydrophobicContact CB-CD2 4.47Å; V121-Y125 HydrophobicContact CG1-CD2 4.29Å; V121-Y125 HydrophobicContact CG2-CD2 4.42Å; V121-Y125 PolarHBondContact O-N 2.91Å; Y125-I128 HydrophobicContact CD1-CB 3.88Å; Y125-I128 HydrophobicContact CD1-CD1 4.08Å; Y125-I128 HydrophobicContact CD1-CG1 4.09Å; Y125-I128 HydrophobicContact CD2-CD1 4.3Å; Y125-I128 HydrophobicContact CE1-CD1 4.03Å; Y125-I128 HydrophobicContact CE1-CG1 4.23Å; Y125-I128 HydrophobicContact CE2-CD1 4.25Å; Y125-I128 HydrophobicContact CG-CB 4.16Å; Y125-I128 HydrophobicContact CG-CD1 4.21Å
126T92.1Very high93.5Very high122 Ų12246 Ų4675%0.74826%0.258SS*.SBendtrans-85.4-35165.2-49.20000111P164T126-P164 WeakPolarHBondContact O-CD 3.19Å
127S93.8Very high93.6Very high64 Ų6444.2 Ų44.245%0.44825%0.252SS..SBendtrans-147.8136.7176.461.70000109.1V162S127-V162 CarbonylContact C-O 3.56Å; S127-V162 WeakPolarHBondContact CA-O 3.41Å
128I95.8Very high93.7Very high5 Ų545.7 Ų45.73%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-139.7147178.6-172.4170.5000109.8V121 Y125 D132 F133 V162 P164V121-I128 HydrophobicContact CG1-CD1 4.21Å; V121-I128 HydrophobicContact CG1-CG2 4.02Å; V121-I128 HydrophobicContact CG2-CD1 4.31Å; Y125-I128 HydrophobicContact CD1-CB 3.88Å; Y125-I128 HydrophobicContact CD1-CD1 4.08Å; Y125-I128 HydrophobicContact CD1-CG1 4.09Å; Y125-I128 HydrophobicContact CD2-CD1 4.3Å; Y125-I128 HydrophobicContact CE1-CD1 4.03Å; Y125-I128 HydrophobicContact CE1-CG1 4.23Å; Y125-I128 HydrophobicContact CE2-CD1 4.25Å; Y125-I128 HydrophobicContact CG-CB 4.16Å; Y125-I128 HydrophobicContact CG-CD1 4.21Å; I128-D132 HydrophobicContact CD1-CB 4.21Å; I128-D132 HydrophobicContact CG1-CB 4.02Å; I128-F133 HydrophobicContact CD1-CB 4.25Å; I128-F133 HydrophobicContact CG2-CB 4.1Å; I128-V162 HydrophobicContact CG2-CB 3.93Å; I128-V162 HydrophobicContact CG2-CG1 4.2Å; I128-V162 PolarHBondContact N-O 3.1Å; I128-V162 PolarHBondContact O-N 3.22Å; I128-P164 HydrophobicContact CG2-CG 4.19Å
129I96Very high93.7Very high73 Ų7345.8 Ų45.837%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-66.8138.1174.4-59169.1000108.5D131 D132 F133 M161I129-D131 VanDerWaalsContact C-N 3.25Å; I129-D131 HydrophobicContact CG2-CB 4.15Å; I129-D131 PolarHBondContact O-N 3Å; I129-D132 HydrophobicContact CB-CB 4.38Å; I129-D132 PolarHBondContact O-N 2.84Å; I129-D132 VanDerWaalsContact O-N 3.13Å; I129-F133 PolarHBondContact O-N 3.34Å; I129-M161 HydrophobicContact CB-SD 4.3Å; I129-M161 HydrophobicContact CG1-CE 4.45Å; I129-M161 HydrophobicContact CG1-SD 3.61Å
130A95.1Very high93.9Very high6 Ų648 Ų485%0.0528%0.282CS..Hα-helixtrans-58.5-38-178.100000112.4F133 A134 V141 V145 R160 V162A130-F133 PolarHBondContact O-N 3.2Å; A130-A134 VanDerWaalsContact O-CB 3.28Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 3.32Å; A130-V141 HydrophobicContact CB-CG1 4.01Å; A130-V145 HydrophobicContact CB-CG2 4.12Å; A130-R160 VanDerWaalsContact CB-O 3.3Å; A130-R160 WeakPolarHBondContact CB-O 3.43Å; A130-R160 PolarHBondContact N-O 3.08Å; A130-V162 HydrophobicContact CB-CG2 4.03Å
131D95.6Very high94Very high71 Ų7146.3 Ų46.338%0.3828%0.275SS..Hα-helixtrans-61.7-44.2175.4-61.8-72.3000112I129 A134 A135I129-D131 VanDerWaalsContact C-N 3.25Å; I129-D131 HydrophobicContact CG2-CB 4.15Å; I129-D131 PolarHBondContact O-N 3Å; D131-A134 PolarHBondContact O-N 3.43Å; D131-A135 WeakPolarHBondContact O-CB 3.41Å; D131-A135 PolarHBondContact O-N 2.98Å
132D95.5Very high93.9Very high81 Ų8153.3 Ų53.343%0.43331%0.307SS..Hα-helixtrans-66.4-42.4177.4-69.8-11.7000111.2I128 I129 A135 F136I128-D132 HydrophobicContact CD1-CB 4.21Å; I128-D132 HydrophobicContact CG1-CB 4.02Å; I129-D132 HydrophobicContact CB-CB 4.38Å; I129-D132 PolarHBondContact O-N 2.84Å; I129-D132 VanDerWaalsContact O-N 3.13Å; D132-A135 WeakPolarHBondContact O-CB 3.43Å; D132-A135 PolarHBondContact O-N 3.31Å; D132-F136 WeakPolarHBondContact O-CD2 3.44Å; D132-F136 PolarHBondContact O-N 3.41Å
133F95.1Very high94.1Very high3 Ų358 Ų581%0.01333%0.328CS..Hα-helixtrans-60.9-46.2175.4173.1-110.6000111.6F118 V121 I128 I129 A130 A135 F136 V137 A144 I148 W153F118-F133 HydrophobicContact CD2-CE2 4.2Å; F118-F133 AromaticContact CD2-CZ 3.91Å; F118-F133 HydrophobicContact CD2-CZ 3.91Å; F118-F133 HydrophobicContact CE2-CZ 4.05Å; V121-F133 HydrophobicContact CB-CD2 4.2Å; V121-F133 HydrophobicContact CB-CE2 4.31Å; V121-F133 HydrophobicContact CG1-CD2 3.81Å; V121-F133 HydrophobicContact CG1-CE2 4.18Å; V121-F133 HydrophobicContact CG2-CD2 4.1Å; V121-F133 HydrophobicContact CG2-CE2 4.49Å; I128-F133 HydrophobicContact CD1-CB 4.25Å; I128-F133 HydrophobicContact CG2-CB 4.1Å; I129-F133 PolarHBondContact O-N 3.34Å; A130-F133 PolarHBondContact O-N 3.2Å; F133-A135 VanDerWaalsContact C-N 3.3Å; F133-A135 PolarHBondContact O-N 3.34Å; F133-F136 WeakPolarHBondContact O-CB 3.43Å; F133-F136 PolarHBondContact O-N 3.41Å; F133-F136 VanDerWaalsContact O-N 3.1Å; F133-V137 HydrophobicContact CD2-CG1 4.18Å; F133-V137 HydrophobicContact CE1-CG1 4.4Å; F133-V137 HydrophobicContact CE1-CG2 4.33Å; F133-V137 HydrophobicContact CE2-CG1 3.56Å; F133-V137 HydrophobicContact CZ-CG1 3.69Å; F133-V137 HydrophobicContact CZ-CG2 4.4Å; F133-V137 WeakPolarHBondContact O-CG2 3.39Å; F133-V137 PolarHBondContact O-N 3.29Å; F133-A144 HydrophobicContact CD1-CB 3.88Å; F133-A144 HydrophobicContact CE1-CB 3.78Å; F133-I148 HydrophobicContact CD1-CG2 4.21Å; F133-I148 HydrophobicContact CE1-CG2 3.27Å; F133-I148 HydrophobicContact CE2-CG2 4.29Å; F133-I148 HydrophobicContact CZ-CG2 3.31Å; F133-W153 HydrophobicContact CD2-CZ3 4.29Å; F133-W153 HydrophobicContact CE2-CH2 4.11Å; F133-W153 AromaticContact CE2-CZ3 3.79Å; F133-W153 HydrophobicContact CE2-CZ3 3.79Å; F133-W153 HydrophobicContact CZ-CZ3 4.1Å
134A95.7Very high94.2Very high4 Ų453.5 Ų53.53%0.03331%0.308CS..Hα-helixtrans-58.2-43.617700000111.5A130 D131 F136 V137 G138 L139 V141 A144A130-A134 VanDerWaalsContact O-CB 3.28Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 3.32Å; D131-A134 PolarHBondContact O-N 3.43Å; A134-F136 VanDerWaalsContact C-N 3.33Å; A134-F136 PolarHBondContact O-N 3.12Å; A134-V137 PolarHBondContact O-N 3.08Å; A134-G138 PolarHBondContact O-N 3Å; A134-L139 WeakPolarHBondContact CB-O 3.47Å; A134-L139 PolarHBondContact O-N 3.49Å; A134-V141 HydrophobicContact CB-CB 4.3Å; A134-V141 HydrophobicContact CB-CG2 3.76Å; A134-A144 HydrophobicContact CB-CB 4Å
135A95.7Very high94.2Very high38 Ų3852 Ų5231%0.31429%0.291SS..Hα-helixtrans-61.8-38.7174.900000112.3P87 D131 D132 F133P87-A135 HydrophobicContact CG-CB 3.95Å; D131-A135 WeakPolarHBondContact O-CB 3.41Å; D131-A135 PolarHBondContact O-N 2.98Å; D132-A135 WeakPolarHBondContact O-CB 3.43Å; D132-A135 PolarHBondContact O-N 3.31Å; F133-A135 VanDerWaalsContact C-N 3.3Å; F133-A135 PolarHBondContact O-N 3.34Å
136F94.4Very high94.1Very high47 Ų4753.9 Ų53.921%0.20630%0.301CS..Hα-helixtrans-66.1-39.6176.5-90.8-128.1000113.1F86 Y90 A117 L120 V121 D132 F133 A134F86-F136 HydrophobicContact CD2-CD1 4.17Å; F86-F136 HydrophobicContact CD2-CE1 4.26Å; F86-F136 HydrophobicContact CE2-CD1 4.38Å; F86-F136 HydrophobicContact CE2-CE1 4.34Å; Y90-F136 WeakPolarHBondContact CE2-O 3.23Å; Y90-F136 PolarHBondContact OH-O 2.91Å; A117-F136 HydrophobicContact CB-CB 4.46Å; A117-F136 WeakPolarHBondContact CB-O 3.27Å; L120-F136 HydrophobicContact CD2-CE1 4.32Å; V121-F136 HydrophobicContact CG2-CB 4.42Å; V121-F136 HydrophobicContact CG2-CD1 3.8Å; V121-F136 HydrophobicContact CG2-CE1 4.48Å; V121-F136 HydrophobicContact CG2-CG 4.39Å; D132-F136 WeakPolarHBondContact O-CD2 3.44Å; D132-F136 PolarHBondContact O-N 3.41Å; F133-F136 WeakPolarHBondContact O-CB 3.43Å; F133-F136 PolarHBondContact O-N 3.41Å; F133-F136 VanDerWaalsContact O-N 3.1Å; A134-F136 VanDerWaalsContact C-N 3.33Å; A134-F136 PolarHBondContact O-N 3.12Å
137V94.6Very high94Very high4 Ų449.5 Ų49.52%0.02428%0.281CS..Hα-helixtrans-90.6-9.1-178.3-60.30000114Y90 R114 A117 F133 A134 L139 A144Y90-V137 PolarHBondContact OH-O 2.83Å; R114-V137 HydrophobicContact CG-CB 4.14Å; R114-V137 WeakPolarHBondContact CG-O 3.35Å; R114-V137 PolarHBondContact NE-O 2.86Å; A117-V137 HydrophobicContact CB-CG1 4.4Å; F133-V137 HydrophobicContact CD2-CG1 4.18Å; F133-V137 HydrophobicContact CE1-CG1 4.4Å; F133-V137 HydrophobicContact CE1-CG2 4.33Å; F133-V137 HydrophobicContact CE2-CG1 3.56Å; F133-V137 HydrophobicContact CZ-CG1 3.69Å; F133-V137 HydrophobicContact CZ-CG2 4.4Å; F133-V137 WeakPolarHBondContact O-CG2 3.39Å; F133-V137 PolarHBondContact O-N 3.29Å; A134-V137 PolarHBondContact O-N 3.08Å; V137-L139 HydrophobicContact CG2-CB 3.99Å; V137-L139 HydrophobicContact CG2-CD1 4.26Å; V137-L139 HydrophobicContact CG2-CG 4.17Å; V137-A144 HydrophobicContact CG2-CB 4.04Å
138G94.1Very high93.8Very high32 Ų3246.5 Ų46.533%0.3326%0.26SS..THydrogen-bonded Turntrans67.435179.300000113.4Y90 A134Y90-G138 VanDerWaalsContact CD2-CA 3.4Å; A134-G138 PolarHBondContact O-N 3Å
139L93.8Very high93.5Very high43 Ų4351 Ų5123%0.22528%0.283CS..SBendtrans-122.5155.4177.1-65.5177.2000109.5A134 V137 E143 A144A134-L139 WeakPolarHBondContact CB-O 3.47Å; A134-L139 PolarHBondContact O-N 3.49Å; V137-L139 HydrophobicContact CG2-CB 3.99Å; V137-L139 HydrophobicContact CG2-CD1 4.26Å; V137-L139 HydrophobicContact CG2-CG 4.17Å; L139-E143 HydrophobicContact CD1-CG 4.32Å; L139-A144 HydrophobicContact CB-CB 4.39Å
140P94.3Very high93.1Very high73 Ų7354.5 Ų54.547%0.47430%0.298SS..  trans-60.9152.9168.528.3-34.4000110.5E142 E143 A144P140-E142 PolarHBondContact O-N 2.86Å; P140-E143 HydrophobicContact CG-CB 3.85Å; P140-E143 PolarHBondContact O-N 2.65Å; P140-E143 VanDerWaalsContact O-N 3.13Å; P140-A144 WeakPolarHBondContact O-CB 3.42Å; P140-A144 PolarHBondContact O-N 2.95Å
141V93.7Very high92.5Very high41 Ų4159.9 Ų59.925%0.24832%0.322CS..Hα-helixtrans-57.9-39.1-172.5-176.70000111.4A130 A134 E143 A144 V145A130-V141 HydrophobicContact CB-CG1 4.01Å; A134-V141 HydrophobicContact CB-CB 4.3Å; A134-V141 HydrophobicContact CB-CG2 3.76Å; V141-E143 PolarHBondContact O-N 2.82Å; V141-A144 PolarHBondContact O-N 2.7Å; V141-V145 HydrophobicContact CG1-CG2 4.12Å; V141-V145 WeakPolarHBondContact O-CB 3.47Å; V141-V145 VanDerWaalsContact O-CG2 3.24Å; V141-V145 WeakPolarHBondContact O-CG2 3.24Å; V141-V145 PolarHBondContact O-N 2.84Å
142E92.7Very high92.2Very high148 Ų14858.3 Ų58.369%0.69232%0.322SS*.Hα-helixtrans-63.2-42.5-179.3-59.675.9-164.900111.9P140 K146P140-E142 PolarHBondContact O-N 2.86Å; E142-K146 WeakPolarHBondContact O-CB 3.41Å; E142-K146 PolarHBondContact O-N 2.83Å
143E93.2Very high92Very high107 Ų10755 Ų5550%0.530%0.304SS..Hα-helixtrans-74.6-38.7179.5-168.7176.5-177.300111.3L139 P140 V141 K146 G147L139-E143 HydrophobicContact CD1-CG 4.32Å; P140-E143 HydrophobicContact CG-CB 3.85Å; P140-E143 PolarHBondContact O-N 2.65Å; P140-E143 VanDerWaalsContact O-N 3.13Å; V141-E143 PolarHBondContact O-N 2.82Å; E143-K146 PolarHBondContact O-N 3.28Å; E143-G147 PolarHBondContact O-N 2.97Å
144A92.9Very high91.8Very high3 Ų361.4 Ų61.43%0.02533%0.334CS..Hα-helixtrans-61.3-47.617500000111.3F133 A134 V137 L139 P140 V141 G147 I148F133-A144 HydrophobicContact CD1-CB 3.88Å; F133-A144 HydrophobicContact CE1-CB 3.78Å; A134-A144 HydrophobicContact CB-CB 4Å; V137-A144 HydrophobicContact CG2-CB 4.04Å; L139-A144 HydrophobicContact CB-CB 4.39Å; P140-A144 WeakPolarHBondContact O-CB 3.42Å; P140-A144 PolarHBondContact O-N 2.95Å; V141-A144 PolarHBondContact O-N 2.7Å; A144-G147 PolarHBondContact O-N 3Å; A144-I148 PolarHBondContact O-N 3.19Å
145V91.6Very high91.6Very high36 Ų3663.2 Ų63.222%0.21835%0.349CS..Hα-helixtrans-65.3-39.7177.5173.40000111.3A130 V141 G147 I148 L149 A155A130-V145 HydrophobicContact CB-CG2 4.12Å; V141-V145 HydrophobicContact CG1-CG2 4.12Å; V141-V145 WeakPolarHBondContact O-CB 3.47Å; V141-V145 VanDerWaalsContact O-CG2 3.24Å; V141-V145 WeakPolarHBondContact O-CG2 3.24Å; V141-V145 PolarHBondContact O-N 2.84Å; V145-G147 PolarHBondContact O-N 2.73Å; V145-I148 WeakPolarHBondContact O-CG1 3.25Å; V145-L149 HydrophobicContact CG1-CD1 4.22Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.08Å; V145-A155 HydrophobicContact CG1-CB 4.25Å
146K91.6Very high91.4Very high130 Ų13064.2 Ų64.257%0.56535%0.349SS*.Hα-helixtrans-59.9-47174.2-176.9-176172.5-171.30111.7E142 E143 I148 L149 E150E142-K146 WeakPolarHBondContact O-CB 3.41Å; E142-K146 PolarHBondContact O-N 2.83Å; E143-K146 PolarHBondContact O-N 3.28Å; K146-I148 PolarHBondContact O-N 3.17Å; K146-L149 PolarHBondContact O-N 2.86Å; K146-E150 VanDerWaalsContact CE-OE1 3.25Å; K146-E150 WeakPolarHBondContact CE-OE1 3.43Å; K146-E150 PolarHBondContact O-N 3.02Å
147G88.8Confident91Very high31 Ų3167.2 Ų67.232%0.3238%0.375SS..Hα-helixtrans-63.8-38.3-177.900000113.9E143 A144 V145 E150 Q151E143-G147 PolarHBondContact O-N 2.97Å; A144-G147 PolarHBondContact O-N 3Å; V145-G147 PolarHBondContact O-N 2.73Å; G147-E150 PolarHBondContact O-N 3.43Å; G147-Q151 PolarHBondContact O-N 3.21Å; G147-Q151 VanDerWaalsContact O-N 3.16Å
148I90.5Very high90.8Very high1 Ų173 Ų731%0.00541%0.411CS..Hα-helixtrans-71.1-31.1178.359.6165.6000112.7F118 F133 A144 V145 K146 Q151 G152 W153 A155 V162F118-I148 HydrophobicContact CE2-CG2 3.98Å; F133-I148 HydrophobicContact CD1-CG2 4.21Å; F133-I148 HydrophobicContact CE1-CG2 3.27Å; F133-I148 HydrophobicContact CE2-CG2 4.29Å; F133-I148 HydrophobicContact CZ-CG2 3.31Å; A144-I148 PolarHBondContact O-N 3.19Å; V145-I148 WeakPolarHBondContact O-CG1 3.25Å; K146-I148 PolarHBondContact O-N 3.17Å; I148-Q151 CarbonylContact O-C 3.54Å; I148-Q151 PolarHBondContact O-N 3.34Å; I148-G152 PolarHBondContact O-N 3.48Å; I148-G152 VanDerWaalsContact O-N 3.14Å; I148-W153 HydrophobicContact CB-CB 3.95Å; I148-W153 HydrophobicContact CB-CD2 4.06Å; I148-W153 HydrophobicContact CB-CE3 3.79Å; I148-W153 HydrophobicContact CB-CG 4.18Å; I148-W153 HydrophobicContact CG2-CD2 4.01Å; I148-W153 HydrophobicContact CG2-CE3 3.41Å; I148-W153 VanDerWaalsContact CG2-CE3 3.41Å; I148-W153 HydrophobicContact CG2-CZ3 3.76Å; I148-W153 WeakPolarHBondContact O-CB 3.25Å; I148-W153 PolarHBondContact O-N 2.94Å; I148-A155 HydrophobicContact CD1-CB 4.29Å; I148-V162 HydrophobicContact CD1-CB 3.93Å; I148-V162 HydrophobicContact CD1-CG1 3.33Å; I148-V162 HydrophobicContact CD1-CG2 3.37Å
149L89.2Confident90.7Very high100 Ų10075.3 Ų75.352%0.52442%0.419SS..Hα-helixtrans-68.3-40.6176.4-72.4172.3000110.5V145 K146 Q151 G152 A155V145-L149 HydrophobicContact CG1-CD1 4.22Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.08Å; K146-L149 PolarHBondContact O-N 2.86Å; L149-Q151 VanDerWaalsContact C-N 3.25Å; L149-Q151 PolarHBondContact O-N 3.45Å; L149-G152 PolarHBondContact O-N 3.35Å; L149-G152 VanDerWaalsContact O-N 3.12Å; L149-A155 HydrophobicContact CD2-CB 4.37Å
150E87.6Confident90.6Very high146 Ų14681 Ų8168%0.68244%0.437SS*.Hα-helixtrans-62.5-32.9172.4-69.5175.4-17300112K146 G147 G152K146-E150 VanDerWaalsContact CE-OE1 3.25Å; K146-E150 WeakPolarHBondContact CE-OE1 3.43Å; K146-E150 PolarHBondContact O-N 3.02Å; G147-E150 PolarHBondContact O-N 3.43Å; E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 2.97Å
151Q82.8Confident90.6Very high119 Ų11979.7 Ų79.756%0.55643%0.426SS*.THydrogen-bonded Turntrans-82.3-2.2176.5-159.962.741.500113.7F118 G147 I148 L149F118-Q151 HydrophobicContact CE1-CG 4.15Å; F118-Q151 HydrophobicContact CZ-CB 4.16Å; F118-Q151 HydrophobicContact CZ-CG 3.79Å; G147-Q151 PolarHBondContact O-N 3.21Å; G147-Q151 VanDerWaalsContact O-N 3.16Å; I148-Q151 CarbonylContact O-C 3.54Å; I148-Q151 PolarHBondContact O-N 3.34Å; L149-Q151 VanDerWaalsContact C-N 3.25Å; L149-Q151 PolarHBondContact O-N 3.45Å
152G88.6Confident90.5Very high37 Ų3777.8 Ų77.838%0.38141%0.414SS..THydrogen-bonded Turntrans79.724.9177.200000115I148 L149 E150I148-G152 PolarHBondContact O-N 3.48Å; I148-G152 VanDerWaalsContact O-N 3.14Å; L149-G152 PolarHBondContact O-N 3.35Å; L149-G152 VanDerWaalsContact O-N 3.12Å; E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 2.97Å
153W91.7Very high90.5Very high12 Ų1274 Ų745%0.04540%0.398CS..  trans-82164.6164.5-63.810.4000109.8F118 V121 F133 I148 V162 P164F118-W153 HydrophobicContact CD1-CZ2 4.33Å; F118-W153 HydrophobicContact CD2-CH2 4.33Å; F118-W153 HydrophobicContact CE1-CH2 4.28Å; F118-W153 AromaticContact CE1-CZ2 3.63Å; F118-W153 HydrophobicContact CE1-CZ2 3.63Å; F118-W153 AromaticContact CE2-CH2 3.93Å; F118-W153 HydrophobicContact CE2-CH2 3.93Å; F118-W153 AromaticContact CE2-CZ2 3.92Å; F118-W153 HydrophobicContact CE2-CZ2 3.92Å; F118-W153 HydrophobicContact CE2-CZ3 4.44Å; F118-W153 AromaticContact CZ-CE2 3.76Å; F118-W153 AromaticContact CZ-CH2 3.88Å; F118-W153 HydrophobicContact CZ-CH2 3.88Å; F118-W153 AromaticContact CZ-CZ2 3.37Å; F118-W153 HydrophobicContact CZ-CZ2 3.37Å; V121-W153 HydrophobicContact CB-CH2 4.24Å; V121-W153 HydrophobicContact CG1-CH2 3.92Å; V121-W153 HydrophobicContact CG1-CZ3 3.89Å; F133-W153 HydrophobicContact CD2-CZ3 4.29Å; F133-W153 HydrophobicContact CE2-CH2 4.11Å; F133-W153 AromaticContact CE2-CZ3 3.79Å; F133-W153 HydrophobicContact CE2-CZ3 3.79Å; F133-W153 HydrophobicContact CZ-CZ3 4.1Å; I148-W153 HydrophobicContact CB-CB 3.95Å; I148-W153 HydrophobicContact CB-CD2 4.06Å; I148-W153 HydrophobicContact CB-CE3 3.79Å; I148-W153 HydrophobicContact CB-CG 4.18Å; I148-W153 HydrophobicContact CG2-CD2 4.01Å; I148-W153 HydrophobicContact CG2-CE3 3.41Å; I148-W153 VanDerWaalsContact CG2-CE3 3.41Å; I148-W153 HydrophobicContact CG2-CZ3 3.76Å; I148-W153 WeakPolarHBondContact O-CB 3.25Å; I148-W153 PolarHBondContact O-N 2.94Å; W153-V162 HydrophobicContact CE3-CG1 3.61Å; W153-V162 HydrophobicContact CZ3-CG1 4.13Å; W153-P164 VanDerWaalsContact CD2-CA 3.49Å; W153-P164 HydrophobicContact CD2-CB 3.94Å; W153-P164 HydrophobicContact CE3-CB 3.76Å; W153-P164 HydrophobicContact CE3-CG 3.97Å; W153-P164 HydrophobicContact CH2-CB 3.82Å; W153-P164 HydrophobicContact CH2-CG 4.23Å; W153-P164 HydrophobicContact CZ2-CB 3.98Å; W153-P164 HydrophobicContact CZ3-CB 3.69Å; W153-P164 HydrophobicContact CZ3-CG 3.74Å
154Q90.8Very high90.4Very high137 Ų13769.6 Ų69.664%0.6438%0.379SS*.EExtended strand (participates in β ladder)trans-103.4146.9176.2-61.4176.14.300110.1L163Q154-L163 HydrophobicContact CB-CB 4.22Å; Q154-L163 HydrophobicContact CB-CD1 4.29Å; Q154-L163 PolarHBondContact N-O 3.05Å; Q154-L163 PolarHBondContact O-N 2.86Å
155A91.1Very high90.1Very high42 Ų4277.4 Ų77.435%0.34741%0.408SS..EExtended strand (participates in β ladder)trans-131.1131.3173.500000109V145 I148 L149 M161V145-A155 HydrophobicContact CG1-CB 4.25Å; I148-A155 HydrophobicContact CD1-CB 4.29Å; L149-A155 HydrophobicContact CD2-CB 4.37Å; A155-M161 CarbonylContact C-O 3.57Å; A155-M161 WeakPolarHBondContact CA-O 3.14Å
156D91.6Very high89.6Confident60 Ų6082.3 Ų82.332%0.32143%0.426SS..EExtended strand (participates in β ladder)trans-100.1113.9171.3175.817.2000109.3T158 T159 R160 M161D156-T158 VanDerWaalsContact C-N 3.27Å; D156-T158 PolarHBondContact O-N 2.8Å; D156-T158 WeakPolarHBondContact OD1-CB 3.34Å; D156-T158 PolarHBondContact OD1-N 3.41Å; D156-T158 PolarHBondContact OD1-OG1 3.25Å; D156-T159 VanDerWaalsContact CG-OG1 3.27Å; D156-T159 WeakPolarHBondContact OD2-CB 3.45Å; D156-T159 VanDerWaalsContact OD2-CG2 3.24Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.41Å; D156-T159 PolarHBondContact OD2-N 3.06Å; D156-T159 PolarHBondContact OD2-OG1 3.46Å; D156-R160 WeakPolarHBondContact O-CA 3.31Å; D156-R160 PolarHBondContact O-N 3.04Å; D156-M161 PolarHBondContact N-O 2.86Å; D156-M161 PolarHBondContact O-N 3.14Å
157S86.8Confident88.7Confident109 Ų10979 Ų7976%0.76242%0.418SS*.THydrogen-bonded Turntrans-69.5-23.9179.955.80000113.3
158T89.5Confident87.5Confident125 Ų12582.3 Ų82.377%0.76743%0.431SS*.THydrogen-bonded Turntrans-75.9-48.2-176.9-50.70000110.6D156D156-T158 VanDerWaalsContact C-N 3.27Å; D156-T158 PolarHBondContact O-N 2.8Å; D156-T158 WeakPolarHBondContact OD1-CB 3.34Å; D156-T158 PolarHBondContact OD1-N 3.41Å; D156-T158 PolarHBondContact OD1-OG1 3.25Å
159T91.6Very high85.6Confident81 Ų8187.2 Ų87.250%0.49747%0.473SS..THydrogen-bonded Turntrans-89.5-8.517959.90000113.3D156 M161D156-T159 VanDerWaalsContact CG-OG1 3.27Å; D156-T159 WeakPolarHBondContact OD2-CB 3.45Å; D156-T159 VanDerWaalsContact OD2-CG2 3.24Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.41Å; D156-T159 PolarHBondContact OD2-N 3.06Å; D156-T159 PolarHBondContact OD2-OG1 3.46Å; T159-M161 PolarHBondContact O-N 3.1Å; T159-M161 WeakPolarHBondContact OG1-CB 3.38Å; T159-M161 WeakPolarHBondContact OG1-CG 3.48Å
160R92.6Very high83.6Confident163 Ų16386.1 Ų86.162%0.61549%0.485SS*.THydrogen-bonded Turntrans55.733.2-169.7-57.9-175.3178.4-177.6-1112.7A130 D156A130-R160 VanDerWaalsContact CB-O 3.3Å; A130-R160 WeakPolarHBondContact CB-O 3.43Å; A130-R160 PolarHBondContact N-O 3.08Å; D156-R160 WeakPolarHBondContact O-CA 3.31Å; D156-R160 PolarHBondContact O-N 3.04Å
161M93.7Very high81.4Confident46 Ų4682.7 Ų82.723%0.22748%0.482CS..EExtended strand (participates in β ladder)trans-96.4141.6178.9-64.6-63.6-68.200110.7I129 A155 D156 T159I129-M161 HydrophobicContact CB-SD 4.3Å; I129-M161 HydrophobicContact CG1-CE 4.45Å; I129-M161 HydrophobicContact CG1-SD 3.61Å; A155-M161 CarbonylContact C-O 3.57Å; A155-M161 WeakPolarHBondContact CA-O 3.14Å; D156-M161 PolarHBondContact N-O 2.86Å; D156-M161 PolarHBondContact O-N 3.14Å; T159-M161 PolarHBondContact O-N 3.1Å; T159-M161 WeakPolarHBondContact OG1-CB 3.38Å; T159-M161 WeakPolarHBondContact OG1-CG 3.48Å
162V92.7Very high79.4Confident0 Ų080.7 Ų80.70%047%0.474CS..EExtended strand (participates in β ladder)trans-106135.4169.4169.90000107.7S127 I128 A130 I148 W153 P164S127-V162 CarbonylContact C-O 3.56Å; S127-V162 WeakPolarHBondContact CA-O 3.41Å; I128-V162 HydrophobicContact CG2-CB 3.93Å; I128-V162 HydrophobicContact CG2-CG1 4.2Å; I128-V162 PolarHBondContact N-O 3.1Å; I128-V162 PolarHBondContact O-N 3.22Å; A130-V162 HydrophobicContact CB-CG2 4.03Å; I148-V162 HydrophobicContact CD1-CB 3.93Å; I148-V162 HydrophobicContact CD1-CG1 3.33Å; I148-V162 HydrophobicContact CD1-CG2 3.37Å; W153-V162 HydrophobicContact CE3-CG1 3.61Å; W153-V162 HydrophobicContact CZ3-CG1 4.13Å; V162-P164 HydrophobicContact CG1-CG 4.45Å; V162-P164 WeakPolarHBondContact O-CD 3.45Å
163L92.2Very high77Confident68 Ų6884.4 Ų84.436%0.35649%0.486SS..EExtended strand (participates in β ladder)trans-111.996.1176.2-6291.4000108.7Q154Q154-L163 HydrophobicContact CB-CB 4.22Å; Q154-L163 HydrophobicContact CB-CD1 4.29Å; Q154-L163 PolarHBondContact N-O 3.05Å; Q154-L163 PolarHBondContact O-N 2.86Å
164P91.1Very high74.5Confident16 Ų1690.3 Ų90.310%0.10452%0.523CS..  trans-62.4140.8179.8-21.934.1000112.3V121 T126 I128 W153 V162V121-P164 HydrophobicContact CG1-CG 3.79Å; T126-P164 WeakPolarHBondContact O-CD 3.19Å; I128-P164 HydrophobicContact CG2-CG 4.19Å; W153-P164 VanDerWaalsContact CD2-CA 3.49Å; W153-P164 HydrophobicContact CD2-CB 3.94Å; W153-P164 HydrophobicContact CE3-CB 3.76Å; W153-P164 HydrophobicContact CE3-CG 3.97Å; W153-P164 HydrophobicContact CH2-CB 3.82Å; W153-P164 HydrophobicContact CH2-CG 4.23Å; W153-P164 HydrophobicContact CZ2-CB 3.98Å; W153-P164 HydrophobicContact CZ3-CB 3.69Å; W153-P164 HydrophobicContact CZ3-CG 3.74Å; V162-P164 HydrophobicContact CG1-CG 4.45Å; V162-P164 WeakPolarHBondContact O-CD 3.45Å
165R86.1Confident72.5Confident167 Ų16786.3 Ų86.363%0.6351%0.51SS*.  trans-95.1111.9171.6-169.1175.2-179.9178.8-0.6109.1
166K81.9Confident70.2Confident139 Ų13989.1 Ų89.160%0.60452%0.515SS*.PPolyproline II helixtrans-60.5130175.2-165.7168.6-175.8166.70109.7S122 V168S122-K166 VanDerWaalsContact O-CA 3.3Å; S122-K166 WeakPolarHBondContact O-CA 3.46Å; K166-V168 PolarHBondContact O-N 2.93Å
167P73Confident67.7Low61 Ų6190.1 Ų90.140%0.39652%0.52SS..PPolyproline II helixtrans-59.6132.4175.123.9-32.5000109.3Q123 A169Q123-P167 HydrophobicContact CG-CG 4.49Å; P167-A169 PolarHBondContact O-N 3.15Å
168V63.7Low65.7Low99 Ų9991.8 Ų91.860%0.651%0.513SS*.PPolyproline II helixtrans-66.9122.8176.8-174.20000107.5K166 G170 A171K166-V168 PolarHBondContact O-N 2.93Å; V168-G170 PolarHBondContact O-N 3.4Å; V168-A171 HydrophobicContact CB-CB 4.4Å; V168-A171 PolarHBondContact O-N 3.36Å
169A50.6Low63.1Low105 Ų10588.2 Ų88.287%0.86849%0.487SS*.THydrogen-bonded Turntrans-56.4109.9175.900000109.2P167P167-A169 PolarHBondContact O-N 3.15Å
170G45.6Very low60.7Low77 Ų7789.4 Ų89.479%0.79449%0.489SS*.THydrogen-bonded Turntrans118.7-18.2-175.400000115.4V168V168-G170 PolarHBondContact O-N 3.4Å
171A42.4Very low57.9Low74 Ų7484.2 Ų84.261%0.61248%0.477SS*.  trans-102.331174.600000112.4V168 D173V168-A171 HydrophobicContact CB-CB 4.4Å; V168-A171 PolarHBondContact O-N 3.36Å; A171-D173 VanDerWaalsContact C-N 3.29Å; A171-D173 PolarHBondContact O-N 2.8Å
172L41Very low55.2Low76 Ų7690 Ų9040%0.39851%0.508SS..  trans-68.693.7171.4-68.9167.7000107.6V174 N177L172-V174 PolarHBondContact O-N 3.18Å; L172-N177 WeakPolarHBondContact CD1-ND2 3.32Å
173D37.2Very low52.7Low116 Ų11695.8 Ų95.862%0.6255%0.548SS*.  trans-44.9119.3145.9-176-11.6000105.8A171 S175A171-D173 VanDerWaalsContact C-N 3.29Å; A171-D173 PolarHBondContact O-N 2.8Å; D173-S175 PolarHBondContact O-N 2.93Å; D173-S175 WeakPolarHBondContact OD1-CB 2.9Å; D173-S175 PolarHBondContact OD1-N 2.97Å; D173-S175 PolarHBondContact OD1-OG 3.01Å
174V39.5Very low50.2Low136 Ų136100.4 Ų100.482%0.82457%0.568SS**THydrogen-bonded Turntrans-59.20.4-169.6-166.40000111.9L172L172-V174 PolarHBondContact O-N 3.18Å
175S48.4Very low47.8Very low52 Ų52105.3 Ų105.336%0.36460%0.6SS.*THydrogen-bonded Turntrans-78.9-19.5-169.7-61.20000116D173D173-S175 PolarHBondContact O-N 2.93Å; D173-S175 WeakPolarHBondContact OD1-CB 2.9Å; D173-S175 PolarHBondContact OD1-N 2.97Å; D173-S175 PolarHBondContact OD1-OG 3.01Å
176F43.2Very low46.1Very low102 Ų102101.1 Ų101.145%0.44760%0.601SS.*SBendtrans-108.6-16.4-175.3-86.6-92.2000116.8R115 K178R115-F176 HydrophobicContact CB-CD1 4.35Å; R115-F176 HydrophobicContact CB-CE1 4.07Å; R115-F176 HydrophobicContact CG-CD1 4.42Å; R115-F176 HydrophobicContact CG-CE1 3.79Å; F176-K178 PolarHBondContact O-N 3.34Å
177N38.2Very low44.5Very low81 Ų8199.5 Ų99.543%0.43361%0.605SS.*G310 helixtrans-87.98.1-169.6-90.94.5000116.5L172L172-N177 WeakPolarHBondContact CD1-ND2 3.32Å
178K45.2Very low43.7Very low144 Ų144101.7 Ų101.763%0.62662%0.617SS**G310 helixtrans-86-3.5-176.9-148.8172.9-175.2176.80115.2F176F176-K178 PolarHBondContact O-N 3.34Å
179F35.7Very low43.6Very low50 Ų50101.7 Ų101.722%0.21962%0.619CS.*G310 helixtrans-118.211.7-173.2-76.9-81.2000115.4A10 A112 R116A10-F179 HydrophobicContact CB-CZ 4.04Å; A112-F179 HydrophobicContact CB-CD1 4.3Å; A112-F179 HydrophobicContact CB-CE1 4.4Å; R116-F179 PolarHBondContact NE-O 2.87Å; R116-F179 VanDerWaalsContact NE-O 3.1Å; R116-F179 PolarHBondContact NH2-O 3.3Å; R116-F179 VanDerWaalsContact NH2-O 3.17Å
180I40.1Very low44.2Very low105 Ų105102.5 Ų102.554%0.53862%0.615SS.*  trans-84.9118.5171.2-53.9175000107.7L182I180-L182 PolarHBondContact O-N 3.01Å
181P35.3Very low45.4Very low55 Ų55100.5 Ų100.536%0.35759%0.586SS.*  trans-72.2116.1166.20.717.8000107.2N48 S183N48-P181 HydrophobicContact CB-CG 3.46Å; N48-P181 VanDerWaalsContact CB-CG 3.46Å; P181-S183 PolarHBondContact O-N 3.48Å
182L35.9Very low47.3Very low168 Ų168100.7 Ų100.788%0.8858%0.581SS**SBendtrans31.288.7148.9-65.8158.5000115.3I180I180-L182 PolarHBondContact O-N 3.01Å
183S41.5Very low49.3Very low120 Ų120102.9 Ų102.984%0.83959%0.593SS**SBendtrans-168.9-3.8151.6-85.30000116.5P181P181-S183 PolarHBondContact O-N 3.48Å
184E39.1Very low51.6Low166 Ų166104.8 Ų104.878%0.77660%0.598SS**SBendtrans-123126.3165.3-80.1-177.7158.700109.7A186E184-A186 PolarHBondContact O-N 3.47Å
185P40.8Very low53.8Low119 Ų119103.4 Ų103.477%0.77358%0.583SS**PPolyproline II helixtrans-59.7126.5169.426.2-30.3000106.9
186A50Low55.6Low79 Ų79104.8 Ų104.865%0.65358%0.583SS**PPolyproline II helixtrans-46.1135.7166.900000107.7E184 V188E184-A186 PolarHBondContact O-N 3.47Å; A186-V188 PolarHBondContact O-N 2.9Å
187P47.6Very low57.8Low105 Ų105104.9 Ų104.968%0.68259%0.588SS**PPolyproline II helixtrans-52.1117.5179.319.7-29.4000106.8P189P187-P189 WeakPolarHBondContact O-CD 3.22Å
188V57.2Low60.3Low107 Ų107103.5 Ų103.565%0.64859%0.588SS**  trans-54.5115.8-176.1-177.90000105A186 I191A186-V188 PolarHBondContact O-N 2.9Å; V188-I191 HydrophobicContact CG1-CG1 4.26Å
189P61.1Low62.4Low99 Ų99102.1 Ų102.164%0.64358%0.579SS**  trans-54.1137.8178.222.7-31.9000106.4P187 I191P187-P189 WeakPolarHBondContact O-CD 3.22Å; P189-I191 PolarHBondContact O-N 3.44Å
190P63.8Low65.1Low121 Ų121104.4 Ų104.479%0.78659%0.593SS**  trans-52.1113.8-178.321.4-31.7000107P192P190-P192 WeakPolarHBondContact O-CD 3.42Å; P190-P192 VanDerWaalsContact O-N 3.16Å
191I70Confident67.6Low36 Ų36103.9 Ų103.919%0.18559%0.594CS.*  trans-57.9125.3-175.6-62.1154.5000105.1V188 P189 N193 Q195 Q196V188-I191 HydrophobicContact CG1-CG1 4.26Å; P189-I191 PolarHBondContact O-N 3.44Å; I191-N193 PolarHBondContact O-N 2.96Å; I191-Q195 HydrophobicContact CG2-CB 3.4Å; I191-Q196 HydrophobicContact CB-CG 3.64Å; I191-Q196 HydrophobicContact CG2-CG 3.59Å; I191-Q196 WeakPolarHBondContact O-CG 3.37Å; I191-Q196 PolarHBondContact O-NE2 3.35Å
192P82.1Confident70.3Confident77 Ų77106.5 Ų106.550%0.561%0.605SS.*  trans-50.6138.9177.6-2733.9000110.1P190 E194 Q195 Q196P190-P192 WeakPolarHBondContact O-CD 3.42Å; P190-P192 VanDerWaalsContact O-N 3.16Å; P192-E194 PolarHBondContact O-N 3.41Å; P192-Q195 WeakPolarHBondContact O-CA 3.34Å; P192-Q195 WeakPolarHBondContact O-CB 3.48Å; P192-Q195 PolarHBondContact O-N 3.02Å; P192-Q196 PolarHBondContact O-N 3.14Å
193N82.7Confident73Confident122 Ų122105.4 Ų105.465%0.65259%0.59SS**Hα-helixtrans-50.2-38.8-174.2-71.9-5.4000112.7I191 Q195 Q196 L197I191-N193 PolarHBondContact O-N 2.96Å; N193-Q195 PolarHBondContact O-N 3.29Å; N193-Q196 WeakPolarHBondContact O-CB 3.44Å; N193-Q196 PolarHBondContact O-N 2.92Å; N193-L197 WeakPolarHBondContact O-CG 3.4Å; N193-L197 PolarHBondContact O-N 3.16Å
194E86.5Confident75.4Confident157 Ų157103.7 Ų103.773%0.73458%0.575SS**Hα-helixtrans-54.8-46.2173-72.3-83.5144.400113.1P192 L197 A198P192-E194 PolarHBondContact O-N 3.41Å; E194-L197 PolarHBondContact O-N 2.88Å; E194-A198 PolarHBondContact O-N 3.31Å
195Q85.7Confident78Confident107 Ų10797.9 Ų97.950%0.556%0.555SS.*Hα-helixtrans-72.2-30.8177.5-74.8-175.4-600112.2I191 P192 N193 R199I191-Q195 HydrophobicContact CG2-CB 3.4Å; P192-Q195 WeakPolarHBondContact O-CA 3.34Å; P192-Q195 WeakPolarHBondContact O-CB 3.48Å; P192-Q195 PolarHBondContact O-N 3.02Å; N193-Q195 PolarHBondContact O-N 3.29Å; Q195-R199 WeakPolarHBondContact O-CG 3.26Å; Q195-R199 PolarHBondContact O-N 3.18Å
196Q86.5Confident80.5Confident81 Ų81100.1 Ų100.138%0.37955%0.553SS.*Hα-helixtrans-66.1-44.6172.3-62.9-176.74.400110.6I191 P192 N193 R199 L200I191-Q196 HydrophobicContact CB-CG 3.64Å; I191-Q196 HydrophobicContact CG2-CG 3.59Å; I191-Q196 WeakPolarHBondContact O-CG 3.37Å; I191-Q196 PolarHBondContact O-NE2 3.35Å; P192-Q196 PolarHBondContact O-N 3.14Å; N193-Q196 WeakPolarHBondContact O-CB 3.44Å; N193-Q196 PolarHBondContact O-N 2.92Å; Q196-R199 PolarHBondContact O-N 3.24Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.45Å; Q196-L200 PolarHBondContact O-N 2.97Å
197L88.7Confident82.6Confident104 Ų104103 Ų10355%0.54556%0.557SS.*Hα-helixtrans-61.9-44.5176-72.3173000111.5N193 E194 R199 L200 T201N193-L197 WeakPolarHBondContact O-CG 3.4Å; N193-L197 PolarHBondContact O-N 3.16Å; E194-L197 PolarHBondContact O-N 2.88Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.32Å; L197-L200 HydrophobicContact CD2-CD1 4.46Å; L197-L200 WeakPolarHBondContact O-CB 3.47Å; L197-L200 PolarHBondContact O-N 3.32Å; L197-L200 VanDerWaalsContact O-N 3.15Å; L197-T201 PolarHBondContact O-N 3.36Å; L197-T201 PolarHBondContact O-OG1 3.41Å
198A90.8Very high84.5Confident52 Ų52105.7 Ų105.743%0.4356%0.56SS.*Hα-helixtrans-56.7-45.5175.700000112.2E194 L200 T201 D202E194-A198 PolarHBondContact O-N 3.31Å; A198-L200 PolarHBondContact O-N 3.01Å; A198-T201 WeakPolarHBondContact O-CB 3.47Å; A198-T201 PolarHBondContact O-N 3.43Å; A198-D202 PolarHBondContact O-N 3.16Å
199R89.8Confident85.1Confident115 Ų115109.9 Ų109.943%0.43458%0.579SS.*Hα-helixtrans-64.5-39.4176.2-69.9178-171.6-174.84.8112.7Q195 Q196 L197 T201 D202 Y203Q195-R199 WeakPolarHBondContact O-CG 3.26Å; Q195-R199 PolarHBondContact O-N 3.18Å; Q196-R199 PolarHBondContact O-N 3.24Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.32Å; R199-T201 VanDerWaalsContact C-N 3.33Å; R199-D202 PolarHBondContact O-N 3.46Å; R199-Y203 HydrophobicContact CB-CE2 4.18Å; R199-Y203 WeakPolarHBondContact O-CD2 3.46Å; R199-Y203 PolarHBondContact O-N 2.88Å
200L92Very high86.3Confident98 Ų98110.4 Ų110.451%0.51358%0.576SS.*Hα-helixtrans-63.3-42.6175.3-72.3166.7000110.8Q196 L197 A198 Y203 V204Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.45Å; Q196-L200 PolarHBondContact O-N 2.97Å; L197-L200 HydrophobicContact CD2-CD1 4.46Å; L197-L200 WeakPolarHBondContact O-CB 3.47Å; L197-L200 PolarHBondContact O-N 3.32Å; L197-L200 VanDerWaalsContact O-N 3.15Å; A198-L200 PolarHBondContact O-N 3.01Å; L200-Y203 PolarHBondContact O-N 3.19Å; L200-V204 WeakPolarHBondContact O-CB 3.42Å; L200-V204 VanDerWaalsContact O-CG2 3.26Å; L200-V204 WeakPolarHBondContact O-CG2 3.34Å; L200-V204 PolarHBondContact O-N 3.49Å
201T91.9Very high87.5Confident94 Ų94109.8 Ų109.858%0.57757%0.565SS**Hα-helixtrans-60.5-44.3173.8-540000111.2L197 A198 R199 Y203 V204 A205L197-T201 PolarHBondContact O-N 3.36Å; L197-T201 PolarHBondContact O-OG1 3.41Å; A198-T201 WeakPolarHBondContact O-CB 3.47Å; A198-T201 PolarHBondContact O-N 3.43Å; R199-T201 VanDerWaalsContact C-N 3.33Å; T201-Y203 PolarHBondContact O-N 3.29Å; T201-V204 PolarHBondContact O-N 3.37Å; T201-A205 VanDerWaalsContact O-CB 3.29Å; T201-A205 WeakPolarHBondContact O-CB 3.5Å; T201-A205 PolarHBondContact O-N 3.18Å
202D92.2Very high88.5Confident109 Ų109113.9 Ų113.958%0.58359%0.586SS**Hα-helixtrans-61.2-42.8175.7-70.6-26.7000111.8A198 R199 F206A198-D202 PolarHBondContact O-N 3.16Å; R199-D202 PolarHBondContact O-N 3.46Å; D202-F206 WeakPolarHBondContact O-CB 3.31Å; D202-F206 PolarHBondContact O-N 3.47Å
203Y93.8Very high88.9Confident145 Ų145116.1 Ų116.157%0.56959%0.591SS**Hα-helixtrans-66.2-41177.1-63.3-35.6000112.6R199 L200 T201 F206 L207R199-Y203 HydrophobicContact CB-CE2 4.18Å; R199-Y203 WeakPolarHBondContact O-CD2 3.46Å; R199-Y203 PolarHBondContact O-N 2.88Å; L200-Y203 PolarHBondContact O-N 3.19Å; T201-Y203 PolarHBondContact O-N 3.29Å; Y203-F206 PolarHBondContact O-N 3.21Å; Y203-L207 WeakPolarHBondContact O-CG 3.23Å; Y203-L207 PolarHBondContact O-N 2.93Å; Y203-L207 VanDerWaalsContact O-N 3.13Å
204V92.1Very high89.3Confident85 Ų85115.8 Ų115.852%0.51559%0.587SS.*Hα-helixtrans-65.1-48.2176.31720000110L200 T201 F206 L207 E208L200-V204 WeakPolarHBondContact O-CB 3.42Å; L200-V204 VanDerWaalsContact O-CG2 3.26Å; L200-V204 WeakPolarHBondContact O-CG2 3.34Å; L200-V204 PolarHBondContact O-N 3.49Å; T201-V204 PolarHBondContact O-N 3.37Å; V204-F206 VanDerWaalsContact C-N 3.29Å; V204-F206 PolarHBondContact O-N 2.87Å; V204-L207 PolarHBondContact O-N 3.02Å; V204-L207 VanDerWaalsContact O-N 3.13Å; V204-E208 WeakPolarHBondContact O-CB 3.28Å; V204-E208 PolarHBondContact O-N 3.06Å
205A92.5Very high89.5Confident44 Ų44113 Ų11336%0.36458%0.577SS.*Hα-helixtrans-62.2-33.5178.300000113.1T201 N209T201-A205 VanDerWaalsContact O-CB 3.29Å; T201-A205 WeakPolarHBondContact O-CB 3.5Å; T201-A205 PolarHBondContact O-N 3.18Å; A205-N209 PolarHBondContact O-ND2 2.96Å
206F93.9Very high89.7Confident166 Ų166113.4 Ų113.473%0.72858%0.583SS**Hα-helixtrans-70.1-34.9174.5177.8-96.9000113.1D202 Y203 V204D202-F206 WeakPolarHBondContact O-CB 3.31Å; D202-F206 PolarHBondContact O-N 3.47Å; Y203-F206 PolarHBondContact O-N 3.21Å; V204-F206 VanDerWaalsContact C-N 3.29Å; V204-F206 PolarHBondContact O-N 2.87Å
207L93.5Very high90Very high139 Ų139115.9 Ų115.973%0.72860%0.598SS**Hα-helixtrans-87-22.3-178.3-70.9169.9000113.8Y203 V204Y203-L207 WeakPolarHBondContact O-CG 3.23Å; Y203-L207 PolarHBondContact O-N 2.93Å; Y203-L207 VanDerWaalsContact O-N 3.13Å; V204-L207 PolarHBondContact O-N 3.02Å; V204-L207 VanDerWaalsContact O-N 3.13Å
208E87.3Confident90.1Very high162 Ų162116.9 Ų116.976%0.75760%0.603SS**Hα-helixtrans-82.2-14-179.1-157.2176.8-166.600113V204V204-E208 WeakPolarHBondContact O-CB 3.28Å; V204-E208 PolarHBondContact O-N 3.06Å
209N71.1Confident90Very high194 Ų194122.8 Ų122.8100%1.03762%0.619SS**  trans-99.40171.7-68.7-62.6000111.9A205A205-N209 PolarHBondContact O-ND2 2.96Å

Retrieved 209 of 209 residues in 153.1 ms (Link to these results)

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