A0A3Q0KHN3_SCHMA Loading...

Annexin

Involved in reproduction of the worm. Involved in host-parasite interaction. Delivered into the host cell by means of parasite exosomes. Binds to acidic phospholipid membranes in a calcium-dependent manner in vitro. Causes aggregation of liposomes in the presence of calcium, but not in its absence. Likely to promote membrane fusion. May provide structural integrity within the tegument.

AlphaFold DB , UniProt , Accession A0A3Q0KHN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 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
1M50.5Low79.7Confident112 Ų11244.9 Ų44.955%0.55224%0.24SC*.  0148.90-104.9174.514400109.5R3 S58 I99 F312M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 2.84Å; M1-S58 WeakPolarHBondContact CE-OG 2.86Å; M1-S58 WeakPolarHBondContact CG-OG 3.39Å; M1-S58 PolarHBondContact SD-OG 2.69Å; M1-I99 HydrophobicContact CE-CB 4.21Å; M1-I99 HydrophobicContact CE-CD1 3.86Å; M1-I99 HydrophobicContact CE-CG2 4.23Å; M1-F312 HydrophobicContact CB-CZ 3.95Å; M1-F312 HydrophobicContact CE-CE2 4.15Å; M1-F312 HydrophobicContact CE-CZ 4.32Å; M1-F312 HydrophobicContact CG-CZ 4.27Å; M1-F312 HydrophobicContact SD-CE1 4.45Å; M1-F312 HydrophobicContact SD-CE2 3.62Å; M1-F312 HydrophobicContact SD-CZ 3.32Å; M1-F312 WeakPolarHBondContact SD-CZ 3.32Å
2G59.2Low79.9Confident36 Ų3652 Ų5237%0.37128%0.278SS..  trans-819.8-176.400000115.9
3R77Confident80.2Confident26 Ų2649.2 Ų49.210%0.09827%0.269CS..SBendtrans-74.4144.1175.5-67.1-151.4176.8-109-8.8111M1 K5 I99 D103 E132 F312M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 2.84Å; R3-K5 PolarHBondContact O-N 3.19Å; R3-I99 VanDerWaalsContact NH2-CD1 3.32Å; R3-D103 IonicContact NH2-OD2 3.8Å; R3-E132 WeakPolarHBondContact CD-OE1 3.28Å; R3-E132 VanDerWaalsContact CG-OE1 3.25Å; R3-E132 WeakPolarHBondContact CG-OE1 3.39Å; R3-E132 IonicContact CZ-OE1 3.49Å; R3-E132 IonicContact NE-OE1 2.75Å; R3-E132 IonicContact NH1-OE1 3.66Å; R3-E132 PolarHBondContact NH1-OE1 3.19Å; R3-E132 IonicContact NH1-OE2 3.48Å; R3-F312 HydrophobicContact CB-CD1 4.22Å; R3-F312 HydrophobicContact CB-CE1 3.54Å; R3-F312 HydrophobicContact CB-CZ 3.69Å; R3-F312 HydrophobicContact CG-CE1 3.9Å; R3-F312 HydrophobicContact CG-CE2 3.96Å; R3-F312 HydrophobicContact CG-CZ 3.51Å
4D83.9Confident80.8Confident38 Ų3850.8 Ų50.820%0.20327%0.274CS..  trans-69.4129.1-179.4-175.9-3.2000111.2S6 Q7 T129 I131D4-S6 PolarHBondContact O-N 3.34Å; D4-S6 WeakPolarHBondContact OD1-CB 3.38Å; D4-S6 PolarHBondContact OD1-N 3.32Å; D4-S6 PolarHBondContact OD1-OG 2.97Å; D4-S6 PolarHBondContact OD2-OG 2.96Å; D4-Q7 HydrophobicContact CB-CG 4.35Å; D4-Q7 WeakPolarHBondContact O-CB 3.39Å; D4-Q7 PolarHBondContact O-N 3.28Å; D4-T129 HydrophobicContact CB-CG2 4.11Å; D4-I131 HydrophobicContact CB-CG2 3.9Å
5K84.5Confident81.5Confident146 Ų14653.4 Ų53.464%0.63529%0.292SS*.G310 helixtrans-64-23.2177-65-177.2-179.8179.50112.6R3 Q7 I8 F185R3-K5 PolarHBondContact O-N 3.19Å; K5-Q7 PolarHBondContact O-N 3.39Å; K5-I8 WeakPolarHBondContact O-CG1 3.35Å; K5-I8 PolarHBondContact O-N 2.88Å; K5-F185 HydrophobicContact CB-CD2 3.86Å; K5-F185 HydrophobicContact CB-CE2 3.72Å; K5-F185 HydrophobicContact CB-CZ 4.33Å; K5-F185 WeakPolarHBondContact O-CE2 3.32Å
6S83.9Confident82.4Confident24 Ų2451.3 Ų51.317%0.16828%0.279CS..G310 helixtrans-60.9-27.8175.775.20000112.1D4 I8 I9D4-S6 PolarHBondContact O-N 3.34Å; D4-S6 WeakPolarHBondContact OD1-CB 3.38Å; D4-S6 PolarHBondContact OD1-N 3.32Å; D4-S6 PolarHBondContact OD1-OG 2.97Å; D4-S6 PolarHBondContact OD2-OG 2.96Å; S6-I8 VanDerWaalsContact C-N 3.25Å; S6-I8 PolarHBondContact O-N 3.26Å; S6-I9 PolarHBondContact O-N 2.65Å
7Q89.6Confident83.1Confident9 Ų952.9 Ų52.94%0.04228%0.284CS..G310 helixtrans-67.5-22-177.6-64.4-171.712.100114.3D4 K5 I9 Y16 T129 E132D4-Q7 HydrophobicContact CB-CG 4.35Å; D4-Q7 WeakPolarHBondContact O-CB 3.39Å; D4-Q7 PolarHBondContact O-N 3.28Å; K5-Q7 PolarHBondContact O-N 3.39Å; Q7-I9 VanDerWaalsContact C-N 3.25Å; Q7-Y16 WeakPolarHBondContact O-CD2 3.29Å; Q7-T129 HydrophobicContact CG-CG2 3.88Å; Q7-E132 PolarHBondContact NE2-OE1 3.26Å; Q7-E132 PolarHBondContact NE2-OE2 3Å
8I89.6Confident83.9Confident52 Ų5253.5 Ų53.527%0.26729%0.291SS..G310 helixtrans-86.93.7-179.862.1157.1000112.5K5 S6 T15 Y16K5-I8 WeakPolarHBondContact O-CG1 3.35Å; K5-I8 PolarHBondContact O-N 2.88Å; S6-I8 VanDerWaalsContact C-N 3.25Å; S6-I8 PolarHBondContact O-N 3.26Å; I8-T15 HydrophobicContact CD1-CG2 4.3Å; I8-T15 CarbonylContact O-C 3.13Å; I8-T15 VanDerWaalsContact O-CA 3.31Å; I8-T15 WeakPolarHBondContact O-CA 3.42Å; I8-Y16 PolarHBondContact O-N 2.65Å
9I90.1Very high84.6Confident23 Ų2351.6 Ų51.612%0.11828%0.281CS..BIsolated β-bridgetrans-113.3124.7177.1-54.3-61.7000109.1S6 Q7 E14 T15 F185 V188 W237S6-I9 PolarHBondContact O-N 2.65Å; Q7-I9 VanDerWaalsContact C-N 3.25Å; I9-E14 WeakPolarHBondContact CA-O 3.32Å; I9-T15 HydrophobicContact CD1-CG2 4.36Å; I9-F185 HydrophobicContact CG1-CE2 4.3Å; I9-V188 HydrophobicContact CB-CG1 3.67Å; I9-V188 HydrophobicContact CG1-CG1 3.82Å; I9-V188 HydrophobicContact CG2-CG1 3.65Å; I9-W237 HydrophobicContact CB-CH2 4.21Å; I9-W237 HydrophobicContact CG2-CH2 4.17Å
10G87.1Confident85.2Confident1 Ų149.6 Ų49.61%0.0127%0.27CS..  trans-83.5173.5175.800000114N12 G13 E14 Y16G10-N12 PolarHBondContact O-N 3.23Å; G10-N12 VanDerWaalsContact O-N 3.14Å; G10-G13 PolarHBondContact O-N 3.17Å; G10-E14 PolarHBondContact N-O 3.1Å; G10-Y16 VanDerWaalsContact CA-CZ 3.47Å; G10-Y16 WeakPolarHBondContact CA-OH 3.45Å
11P81.6Confident85.7Confident27 Ų2753 Ų5318%0.17528%0.283CS..THydrogen-bonded Turntrans-56.1-29.6-178.119.6-32.6000114.5E14 Q240P11-E14 WeakPolarHBondContact CD-OE1 3.47Å; P11-Q240 HydrophobicContact CB-CG 4.38Å
12N82.2Confident87.8Confident130 Ų13050.5 Ų50.570%0.69527%0.27SS*.THydrogen-bonded Turntrans-97.910.5-178.9-48.5-67.2000112.2G10 E14G10-N12 PolarHBondContact O-N 3.23Å; G10-N12 VanDerWaalsContact O-N 3.14Å; N12-E14 VanDerWaalsContact C-N 3.27Å; N12-E14 VanDerWaalsContact C-OE2 3.29Å; N12-E14 WeakPolarHBondContact CA-OE2 3.32Å; N12-E14 WeakPolarHBondContact CB-OE2 3.5Å; N12-E14 PolarHBondContact N-OE2 3.46Å
13G83Confident89.3Confident16 Ų1651.7 Ų51.717%0.16527%0.268CS..SBendtrans7710.8-175.900000113.9G10G10-G13 PolarHBondContact O-N 3.17Å
14E89.1Confident89.7Confident71 Ų7157.2 Ų57.233%0.33230%0.299SS..PPolyproline II helixtrans-66.3144.6170.472.7-80.8-16300110.9I9 G10 P11 N12 Y16I9-E14 WeakPolarHBondContact CA-O 3.32Å; G10-E14 PolarHBondContact N-O 3.1Å; P11-E14 WeakPolarHBondContact CD-OE1 3.47Å; N12-E14 VanDerWaalsContact C-N 3.27Å; N12-E14 VanDerWaalsContact C-OE2 3.29Å; N12-E14 WeakPolarHBondContact CA-OE2 3.32Å; N12-E14 WeakPolarHBondContact CB-OE2 3.5Å; N12-E14 PolarHBondContact N-OE2 3.46Å; E14-Y16 HydrophobicContact CG-CD1 4.35Å; E14-Y16 HydrophobicContact CG-CE1 3.84Å
15T91.7Very high89.7Confident90 Ų9063.9 Ų63.955%0.55233%0.329SS*.BIsolated β-bridgetrans-96.2123.9176.9-51.10000110I8 I9I8-T15 HydrophobicContact CD1-CG2 4.3Å; I8-T15 CarbonylContact O-C 3.13Å; I8-T15 VanDerWaalsContact O-CA 3.31Å; I8-T15 WeakPolarHBondContact O-CA 3.42Å; I9-T15 HydrophobicContact CD1-CG2 4.36Å
16Y94.7Very high89.5Confident19 Ų1958.8 Ų58.88%0.07531%0.309CS..PPolyproline II helixtrans-74.7151.4172.1-56.1-36.4000111.4Q7 I8 G10 E14 P281 D313 S316Q7-Y16 WeakPolarHBondContact O-CD2 3.29Å; I8-Y16 PolarHBondContact O-N 2.65Å; G10-Y16 VanDerWaalsContact CA-CZ 3.47Å; G10-Y16 WeakPolarHBondContact CA-OH 3.45Å; E14-Y16 HydrophobicContact CG-CD1 4.35Å; E14-Y16 HydrophobicContact CG-CE1 3.84Å; Y16-P281 HydrophobicContact CD1-CG 3.82Å; Y16-P281 HydrophobicContact CD2-CG 3.97Å; Y16-P281 HydrophobicContact CE1-CG 3.53Å; Y16-P281 VanDerWaalsContact CE2-CD 3.49Å; Y16-P281 HydrophobicContact CE2-CG 3.68Å; Y16-P281 HydrophobicContact CG-CG 4.05Å; Y16-P281 VanDerWaalsContact CZ-CD 3.4Å; Y16-P281 VanDerWaalsContact CZ-CG 3.45Å; Y16-P281 WeakPolarHBondContact OH-CD 3.36Å; Y16-D313 HydrophobicContact CD2-CB 4.34Å; Y16-D313 HydrophobicContact CG-CB 4.27Å; Y16-S316 VanDerWaalsContact CA-OG 3.28Å; Y16-S316 WeakPolarHBondContact CA-OG 3.49Å; Y16-S316 WeakPolarHBondContact CB-OG 3.24Å
17H95.6Very high90.1Very high80 Ų8060.3 Ų60.337%0.3732%0.315SS..  trans-131148-171.256.4-91.7000112.6F312 D313 G315 S316 I319H17-F312 CarbonylContact C-O 3.52Å; H17-D313 CarbonylContact O-C 3.45Å; H17-D313 VanDerWaalsContact O-CA 3.27Å; H17-D313 WeakPolarHBondContact O-CA 3.47Å; H17-G315 VanDerWaalsContact NE2-C 3.27Å; H17-G315 WeakPolarHBondContact O-CA 3.32Å; H17-G315 PolarHBondContact O-N 3.49Å; H17-S316 PolarHBondContact CE1-OG 3.23Å; H17-S316 PolarHBondContact N-OG 3.38Å; H17-S316 PolarHBondContact ND1-OG 3.41Å; H17-S316 PolarHBondContact O-N 3.28Å; H17-I319 VanDerWaalsContact CE1-CD1 3.46Å; H17-I319 WeakPolarHBondContact CE1-CD1 3.42Å
18P96.5Very high90.4Very high63 Ų6361.5 Ų61.541%0.40932%0.323SS..  trans-77.7169.7-178.332.9-37.6000112.1C310 F312P18-C310 VanDerWaalsContact CB-O 3.24Å; P18-C310 WeakPolarHBondContact CB-O 3.27Å; P18-F312 WeakPolarHBondContact CA-O 3.49Å; P18-F312 WeakPolarHBondContact CD-O 3Å
19T98Very high90.8Very high18 Ų1865 Ų6511%0.1134%0.337CS..  trans-102.4-28.6167.749.20000113.3K21 C310 L314 L348 I349T19-K21 PolarHBondContact O-N 3.28Å; T19-K21 VanDerWaalsContact O-N 3.11Å; T19-C310 PolarHBondContact N-O 2.88Å; T19-C310 PolarHBondContact OG1-O 3.24Å; T19-L314 HydrophobicContact CG2-CB 3.89Å; T19-L314 HydrophobicContact CG2-CD2 4.36Å; T19-L314 HydrophobicContact CG2-CG 3.84Å; T19-L314 WeakPolarHBondContact OG1-CD2 3.37Å; T19-L348 WeakPolarHBondContact CB-O 3.39Å; T19-L348 PolarHBondContact OG1-O 2.9Å; T19-I349 VanDerWaalsContact CB-C 3.45Å; T19-I349 WeakPolarHBondContact CB-O 3.24Å; T19-I349 HydrophobicContact CG2-CB 4.5Å; T19-I349 WeakPolarHBondContact CG2-O 3.47Å
20L96.8Very high91.2Very high10 Ų1070 Ų705%0.05236%0.358CS..  trans-63.5116.7-170.9-173.467.9000110.3I22 G54 N57 C310 E311 L348L20-I22 HydrophobicContact CB-CG1 4.47Å; L20-I22 HydrophobicContact CD2-CG1 3.92Å; L20-I22 HydrophobicContact CG-CG1 4.02Å; L20-I22 PolarHBondContact O-N 3.46Å; L20-G54 WeakPolarHBondContact CD1-O 3.49Å; L20-N57 HydrophobicContact CD2-CB 4.3Å; L20-C310 HydrophobicContact CB-CB 4.26Å; L20-C310 WeakPolarHBondContact CB-O 3.4Å; L20-C310 PolarHBondContact N-O 3.01Å; L20-E311 HydrophobicContact CB-CG 4.41Å; L20-E311 HydrophobicContact CD2-CG 3.5Å; L20-E311 VanDerWaalsContact CD2-CG 3.5Å; L20-L348 HydrophobicContact CD1-CD2 3.8Å
21K95.6Very high91.7Very high123 Ų12370.4 Ų70.454%0.53536%0.359SS..  trans-78.486.5173.5-68.8173.7176.3166.40108.7T19 D23 Y55 G350T19-K21 PolarHBondContact O-N 3.28Å; T19-K21 VanDerWaalsContact O-N 3.11Å; K21-D23 PolarHBondContact O-N 3.47Å; K21-Y55 HydrophobicContact CB-CD1 4.07Å; K21-Y55 HydrophobicContact CB-CE1 4.2Å; K21-Y55 VanDerWaalsContact O-CD1 3.32Å; K21-Y55 WeakPolarHBondContact O-CD1 3.37Å; K21-G350 WeakPolarHBondContact CE-O 3.49Å; K21-G350 PolarHBondContact NZ-O 2.71Å
22I93.7Very high92.5Very high58 Ų5869.1 Ų69.130%0.29735%0.351SS..  trans-71126.2-177.6-57.9167.8000109.9L20 L24 N57L20-I22 HydrophobicContact CB-CG1 4.47Å; L20-I22 HydrophobicContact CD2-CG1 3.92Å; L20-I22 HydrophobicContact CG-CG1 4.02Å; L20-I22 PolarHBondContact O-N 3.46Å; I22-L24 HydrophobicContact CG2-CD2 4.18Å; I22-L24 PolarHBondContact O-N 2.94Å; I22-N57 HydrophobicContact CD1-CB 3.88Å; I22-N57 HydrophobicContact CG1-CB 4.15Å; I22-N57 HydrophobicContact CG2-CB 4.5Å
23D91.5Very high93.2Very high61 Ų6167.2 Ų67.233%0.32634%0.338SS..  trans-74.9111.1165.9-171.5-10.8000109.8K21 H25 Y55 R56 Q60K21-D23 PolarHBondContact O-N 3.47Å; D23-H25 VanDerWaalsContact C-N 3.3Å; D23-H25 PolarHBondContact OD1-N 3.29Å; D23-Y55 PolarHBondContact N-O 3.26Å; D23-R56 IonicContact OD2-CZ 3.5Å; D23-R56 IonicContact OD2-NH1 2.94Å; D23-R56 PolarHBondContact OD2-NH1 2.86Å; D23-R56 IonicContact OD2-NH2 3.08Å; D23-R56 PolarHBondContact OD2-NH2 3.39Å; D23-Q60 PolarHBondContact O-NE2 3.47Å
24L84.4Confident93.9Very high142 Ų14270.1 Ų70.174%0.74335%0.347SS*.THydrogen-bonded Turntrans-80.2-10.8-179.9-62.2177.8000113.2I22 N26I22-L24 HydrophobicContact CG2-CD2 4.18Å; I22-L24 PolarHBondContact O-N 2.94Å; L24-N26 VanDerWaalsContact C-N 3.35Å
25H84.1Confident94.4Very high178 Ų17866.7 Ų66.782%0.82433%0.331SS*.THydrogen-bonded Turntrans-101.533.8179.2-63.7-55.1000111.9D23D23-H25 VanDerWaalsContact C-N 3.3Å; D23-H25 PolarHBondContact OD1-N 3.29Å
26N81.8Confident94.6Very high40 Ų4065.6 Ų65.621%0.21432%0.317CS..  trans-70.2143.9-177.477.3-64.5000112.1L24 Q60L24-N26 VanDerWaalsContact C-N 3.35Å; N26-Q60 WeakPolarHBondContact ND2-CG 3.3Å; N26-Q60 PolarHBondContact OD1-NE2 3.42Å
27D95.4Very high94.8Very high56 Ų5668.7 Ų68.730%0.29933%0.333SS..  trans-128.2109.7170176.1-15000106.5K29 K30 D31D27-K29 PolarHBondContact O-N 2.98Å; D27-K29 VanDerWaalsContact O-N 3.1Å; D27-K29 WeakPolarHBondContact OD1-CB 3.47Å; D27-K29 PolarHBondContact OD1-N 3.25Å; D27-K30 HydrophobicContact CB-CB 4.06Å; D27-K30 HydrophobicContact CB-CD 3.95Å; D27-K30 HydrophobicContact CB-CG 4Å; D27-K30 PolarHBondContact O-N 3.15Å; D27-K30 WeakPolarHBondContact OD2-CE 3.29Å; D27-D31 PolarHBondContact O-N 3.23Å
28P96.8Very high94.9Very high33 Ų3365 Ų6521%0.21432%0.316CS..Hα-helixtrans-62.6-22.8-17325.8-34.7000112.7A32 E63 I64 T67P28-A32 VanDerWaalsContact O-CB 3.23Å; P28-A32 WeakPolarHBondContact O-CB 3.34Å; P28-A32 PolarHBondContact O-N 3.42Å; P28-E63 HydrophobicContact CB-CB 4.28Å; P28-I64 HydrophobicContact CB-CG1 4.33Å; P28-T67 HydrophobicContact CB-CG2 4.42Å
29K97.9Very high94.9Very high127 Ų12762.7 Ų62.755%0.55230%0.3SS*.Hα-helixtrans-72.5-45.5173.7-66.5-178.6179.5178.10111.3D27 D31 A32 E33 T67 M71D27-K29 PolarHBondContact O-N 2.98Å; D27-K29 VanDerWaalsContact O-N 3.1Å; D27-K29 WeakPolarHBondContact OD1-CB 3.47Å; D27-K29 PolarHBondContact OD1-N 3.25Å; K29-D31 VanDerWaalsContact C-N 3.35Å; K29-A32 PolarHBondContact O-N 3.19Å; K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 3.42Å; K29-T67 HydrophobicContact CB-CG2 4.32Å; K29-T67 HydrophobicContact CG-CG2 3.73Å; K29-M71 HydrophobicContact CB-SD 4.02Å; K29-M71 HydrophobicContact CG-SD 4.01Å
30K97.5Very high94.7Very high128 Ų12867.9 Ų67.956%0.55732%0.321SS*.Hα-helixtrans-62.7-44.5175.3-68.4-179-170.2170.30110.8D27 A32 E33 E34D27-K30 HydrophobicContact CB-CB 4.06Å; D27-K30 HydrophobicContact CB-CD 3.95Å; D27-K30 HydrophobicContact CB-CG 4Å; D27-K30 PolarHBondContact O-N 3.15Å; D27-K30 WeakPolarHBondContact OD2-CE 3.29Å; K30-A32 VanDerWaalsContact C-N 3.32Å; K30-A32 PolarHBondContact O-N 2.74Å; K30-E33 WeakPolarHBondContact O-CB 3.46Å; K30-E33 PolarHBondContact O-N 2.54Å; K30-E33 VanDerWaalsContact O-N 3.15Å; K30-E34 WeakPolarHBondContact O-CB 3.46Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 2.87Å
31D97.7Very high94.5Very high8 Ų870.3 Ų70.34%0.04335%0.348CS..Hα-helixtrans-61-41.8177.1-69.8-26000111.5D27 K29 E34 L35 V52 R56 I64D27-D31 PolarHBondContact O-N 3.23Å; K29-D31 VanDerWaalsContact C-N 3.35Å; D31-E34 PolarHBondContact O-N 3.27Å; D31-L35 WeakPolarHBondContact O-CB 3.33Å; D31-L35 VanDerWaalsContact O-CG 3.25Å; D31-L35 WeakPolarHBondContact O-CG 3.44Å; D31-L35 PolarHBondContact O-N 3.45Å; D31-V52 HydrophobicContact CB-CG1 3.85Å; D31-R56 IonicContact OD1-CZ 3.88Å; D31-R56 IonicContact OD1-NE 2.72Å; D31-R56 PolarHBondContact OD1-NE 3.49Å; D31-R56 IonicContact OD1-NH2 2.67Å; D31-R56 PolarHBondContact OD1-NH2 3.4Å; D31-R56 IonicContact OD2-CZ 3.97Å; D31-R56 IonicContact OD2-NE 3.57Å; D31-R56 PolarHBondContact OD2-NE 3.41Å; D31-R56 IonicContact OD2-NH2 3.22Å; D31-R56 PolarHBondContact OD2-NH2 3.15Å; D31-I64 HydrophobicContact CB-CD1 3.69Å; D31-I64 HydrophobicContact CB-CG1 3.74Å; D31-I64 HydrophobicContact CB-CG2 4.39Å
32A98.1Very high94Very high0 Ų077.4 Ų77.40%037%0.372CS..Hα-helixtrans-63.3-39.6174.100000112.5P28 K29 K30 Y36 T67 F68 M71 Y72P28-A32 VanDerWaalsContact O-CB 3.23Å; P28-A32 WeakPolarHBondContact O-CB 3.34Å; P28-A32 PolarHBondContact O-N 3.42Å; K29-A32 PolarHBondContact O-N 3.19Å; K30-A32 VanDerWaalsContact C-N 3.32Å; K30-A32 PolarHBondContact O-N 2.74Å; A32-Y36 WeakPolarHBondContact O-CB 3Å; A32-Y36 PolarHBondContact O-N 3.16Å; A32-T67 HydrophobicContact CB-CG2 4.2Å; A32-F68 HydrophobicContact CB-CB 4.02Å; A32-F68 HydrophobicContact CB-CD2 4.03Å; A32-F68 WeakPolarHBondContact O-CD2 3.44Å; A32-M71 HydrophobicContact CB-SD 4.2Å; A32-Y72 HydrophobicContact CB-CE2 4.47Å
33E97.9Very high93.9Very high91 Ų9177 Ų7743%0.42538%0.382SS..Hα-helixtrans-64.7-46174.3-74.7169.8-170.900112K29 K30 L35 Y36 Q37 M71 Y72K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 3.42Å; K30-E33 WeakPolarHBondContact O-CB 3.46Å; K30-E33 PolarHBondContact O-N 2.54Å; K30-E33 VanDerWaalsContact O-N 3.15Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.28Å; E33-Y36 PolarHBondContact O-N 3.34Å; E33-Q37 WeakPolarHBondContact O-CG 3.28Å; E33-Q37 PolarHBondContact O-N 3.11Å; E33-M71 HydrophobicContact CG-CE 3.69Å; E33-M71 WeakPolarHBondContact OE1-CE 3.45Å; E33-Y72 WeakPolarHBondContact CA-OH 3.39Å; E33-Y72 WeakPolarHBondContact CG-OH 3.47Å
34E97.7Very high94.1Very high76 Ų7675.3 Ų75.336%0.35537%0.374SS..Hα-helixtrans-57.9-46.2176.8-71-67.8124.100110.9K30 D31 Q37 A38 R48 V52K30-E34 WeakPolarHBondContact O-CB 3.46Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 2.87Å; D31-E34 PolarHBondContact O-N 3.27Å; E34-Q37 PolarHBondContact O-N 3.09Å; E34-A38 WeakPolarHBondContact O-CB 3.21Å; E34-A38 PolarHBondContact O-N 3.27Å; E34-R48 PolarHBondContact O-NE 3.13Å; E34-R48 IonicContact OE1-CZ 3.32Å; E34-R48 IonicContact OE1-NH2 2.71Å; E34-R48 PolarHBondContact OE1-NH2 3.31Å; E34-R48 IonicContact OE2-CZ 3.05Å; E34-R48 IonicContact OE2-NE 2.71Å; E34-R48 PolarHBondContact OE2-NE 2.96Å; E34-R48 IonicContact OE2-NH2 2.82Å; E34-R48 PolarHBondContact OE2-NH2 3.41Å; E34-V52 HydrophobicContact CB-CG2 3.91Å
35L98.2Very high94.7Very high0 Ų071.9 Ų71.90%036%0.356CS..Hα-helixtrans-65.2-42.1176.1-69.6171.4000112.1D31 E33 Q37 A38 M39 I49 V52 L53 I64 F68 L76D31-L35 WeakPolarHBondContact O-CB 3.33Å; D31-L35 VanDerWaalsContact O-CG 3.25Å; D31-L35 WeakPolarHBondContact O-CG 3.44Å; D31-L35 PolarHBondContact O-N 3.45Å; E33-L35 VanDerWaalsContact C-N 3.33Å; E33-L35 PolarHBondContact O-N 3.28Å; L35-Q37 PolarHBondContact O-N 3.06Å; L35-A38 WeakPolarHBondContact O-CB 3.09Å; L35-A38 PolarHBondContact O-N 2.97Å; L35-M39 HydrophobicContact CB-CE 4.22Å; L35-M39 WeakPolarHBondContact O-CE 3.46Å; L35-M39 PolarHBondContact O-N 3.39Å; L35-I49 HydrophobicContact CD2-CB 4.34Å; L35-I49 HydrophobicContact CD2-CG1 4.18Å; L35-I49 HydrophobicContact CD2-CG2 4.18Å; L35-V52 HydrophobicContact CD1-CG1 4.22Å; L35-V52 HydrophobicContact CD2-CB 4.21Å; L35-V52 HydrophobicContact CD2-CG1 4.39Å; L35-V52 HydrophobicContact CG-CB 4.44Å; L35-V52 HydrophobicContact CG-CG1 4.21Å; L35-L53 HydrophobicContact CD1-CD2 4.16Å; L35-L53 HydrophobicContact CD1-CG 4.49Å; L35-L53 HydrophobicContact CD2-CD1 4.27Å; L35-L53 HydrophobicContact CD2-CG 4.18Å; L35-I64 HydrophobicContact CD1-CG2 3.56Å; L35-F68 HydrophobicContact CB-CE2 4.39Å; L35-L76 HydrophobicContact CB-CD1 4.4Å; L35-L76 HydrophobicContact CD1-CD1 4.13Å; L35-L76 HydrophobicContact CD1-CD2 3.88Å
36Y97.7Very high95.3Very high66 Ų6666 Ų6626%0.25933%0.329SS..Hα-helixtrans-61.2-44.8176.1178.2-96.3000111.5A32 E33 A38 M39 K40 F68 Y72A32-Y36 WeakPolarHBondContact O-CB 3Å; A32-Y36 PolarHBondContact O-N 3.16Å; E33-Y36 PolarHBondContact O-N 3.34Å; Y36-A38 VanDerWaalsContact C-N 3.33Å; Y36-A38 PolarHBondContact O-N 3.03Å; Y36-M39 PolarHBondContact O-N 2.86Å; Y36-K40 HydrophobicContact CE1-CD 3.93Å; Y36-K40 HydrophobicContact CE1-CG 4.5Å; Y36-K40 WeakPolarHBondContact O-CB 3.07Å; Y36-K40 PolarHBondContact O-N 2.69Å; Y36-K40 VanDerWaalsContact O-N 3.15Å; Y36-F68 HydrophobicContact CD2-CZ 4.34Å; Y36-Y72 AromaticContact CD1-CE1 3.97Å; Y36-Y72 HydrophobicContact CD1-CE1 3.97Å; Y36-Y72 AromaticContact CD2-CD1 3.75Å; Y36-Y72 HydrophobicContact CD2-CD1 3.75Å; Y36-Y72 HydrophobicContact CD2-CD2 4.09Å; Y36-Y72 AromaticContact CD2-CE1 3.78Å; Y36-Y72 HydrophobicContact CD2-CE1 3.78Å; Y36-Y72 HydrophobicContact CD2-CE2 4.12Å; Y36-Y72 AromaticContact CD2-CG 3.91Å; Y36-Y72 HydrophobicContact CD2-CG 3.91Å; Y36-Y72 AromaticContact CD2-CZ 3.96Å; Y36-Y72 HydrophobicContact CE1-CE1 4.28Å; Y36-Y72 AromaticContact CE2-CD1 3.89Å; Y36-Y72 HydrophobicContact CE2-CD1 3.89Å; Y36-Y72 HydrophobicContact CE2-CE1 4.12Å; Y36-Y72 HydrophobicContact CE2-CG 4.32Å; Y36-Y72 HydrophobicContact CG-CD1 4.17Å; Y36-Y72 HydrophobicContact CG-CD2 4.4Å; Y36-Y72 AromaticContact CG-CE1 3.7Å; Y36-Y72 HydrophobicContact CG-CE1 3.7Å; Y36-Y72 AromaticContact CG-CE2 3.96Å; Y36-Y72 HydrophobicContact CG-CE2 3.96Å; Y36-Y72 HydrophobicContact CG-CG 4.5Å; Y36-Y72 AromaticContact CG-CZ 3.58Å
37Q97.5Very high96.1Very high85 Ų8567.3 Ų67.340%0.39733%0.334SS..Hα-helixtrans-67.1-34.6177.4-64.5-56.5-3300112.2E33 E34 L35 M39 K40E33-Q37 WeakPolarHBondContact O-CG 3.28Å; E33-Q37 PolarHBondContact O-N 3.11Å; E34-Q37 PolarHBondContact O-N 3.09Å; L35-Q37 PolarHBondContact O-N 3.06Å; Q37-M39 PolarHBondContact O-N 3.31Å; Q37-K40 PolarHBondContact O-N 2.97Å
38A97.7Very high96.1Very high3 Ų367.9 Ų67.93%0.02533%0.332CS..Hα-helixtrans-63.3-27.517600000113E34 L35 Y36 T44 D45 R48 I49E34-A38 WeakPolarHBondContact O-CB 3.21Å; E34-A38 PolarHBondContact O-N 3.27Å; L35-A38 WeakPolarHBondContact O-CB 3.09Å; L35-A38 PolarHBondContact O-N 2.97Å; Y36-A38 VanDerWaalsContact C-N 3.33Å; Y36-A38 PolarHBondContact O-N 3.03Å; A38-T44 WeakPolarHBondContact O-CA 3.4Å; A38-D45 HydrophobicContact CB-CB 4.18Å; A38-D45 PolarHBondContact O-N 3.4Å; A38-R48 HydrophobicContact CB-CB 3.95Å; A38-R48 HydrophobicContact CB-CG 4.06Å; A38-I49 HydrophobicContact CB-CD1 4.4Å; A38-I49 HydrophobicContact CB-CG1 3.75Å
39M97.2Very high96.2Very high14 Ų1466.3 Ų66.37%0.06932%0.322CS..THydrogen-bonded Turntrans-1014179.8-69.6-177.2-73.100113.2L35 Y36 Q37 I49 F68 L76 E79 L80 E83L35-M39 HydrophobicContact CB-CE 4.22Å; L35-M39 WeakPolarHBondContact O-CE 3.46Å; L35-M39 PolarHBondContact O-N 3.39Å; Y36-M39 PolarHBondContact O-N 2.86Å; Q37-M39 PolarHBondContact O-N 3.31Å; M39-I49 HydrophobicContact CG-CD1 4.42Å; M39-F68 HydrophobicContact CE-CE2 3.87Å; M39-F68 HydrophobicContact CE-CZ 3.76Å; M39-L76 HydrophobicContact CE-CD1 3.82Å; M39-E79 HydrophobicContact CE-CB 4.19Å; M39-E79 HydrophobicContact SD-CB 3.83Å; M39-L80 HydrophobicContact CE-CD2 4.25Å; M39-L80 HydrophobicContact CE-CG 4.35Å; M39-L80 HydrophobicContact CG-CD2 4.32Å; M39-L80 HydrophobicContact SD-CB 4.49Å; M39-L80 HydrophobicContact SD-CD2 3.54Å; M39-L80 VanDerWaalsContact SD-CD2 3.54Å; M39-L80 HydrophobicContact SD-CG 3.79Å; M39-E83 HydrophobicContact CB-CG 3.98Å; M39-E83 HydrophobicContact CG-CB 4.18Å; M39-E83 HydrophobicContact CG-CG 3.97Å; M39-E83 HydrophobicContact SD-CB 4.49Å; M39-E83 HydrophobicContact SD-CG 4.23Å
40K93.9Very high96.2Very high127 Ų12760.2 Ų60.255%0.55230%0.295SS*.SBendtrans-95.4121-173.6-175.5-173.9179-175.90111.3Y36 Q37Y36-K40 HydrophobicContact CE1-CD 3.93Å; Y36-K40 HydrophobicContact CE1-CG 4.5Å; Y36-K40 WeakPolarHBondContact O-CB 3.07Å; Y36-K40 PolarHBondContact O-N 2.69Å; Y36-K40 VanDerWaalsContact O-N 3.15Å; Q37-K40 PolarHBondContact O-N 2.97Å
41G91.4Very high96.1Very high61 Ų6159.7 Ų59.763%0.62929%0.293SS*.SBendtrans111.2-144.216800000111.9
42W86.3Confident96.1Very high271 Ų27159.6 Ų59.6100%1.02729%0.293SS*.SBendtrans-92.7120.4175.8-97.384000109.8
43G91Very high96.1Very high49 Ų4959.6 Ų59.651%0.50529%0.293SS..SBendtrans82.1179.4-175.300000112.8
44T95.7Very high96Very high26 Ų2655.3 Ų55.316%0.1627%0.273CS..  trans-124.6142.7-176.6-53.60000108.4A38 E46 I49 E83 T84A38-T44 WeakPolarHBondContact O-CA 3.4Å; T44-E46 HydrophobicContact CG2-CG 4.37Å; T44-I49 HydrophobicContact CG2-CD1 3.5Å; T44-E83 HydrophobicContact CG2-CB 4.26Å; T44-E83 PolarHBondContact OG1-O 3.32Å; T44-T84 HydrophobicContact CG2-CG2 4.31Å
45D97.3Very high96Very high71 Ų7154.6 Ų54.638%0.3827%0.267SS..  trans-96.282.1171-174.3-16.5000109.2A38 H47 R48 I49A38-D45 HydrophobicContact CB-CB 4.18Å; A38-D45 PolarHBondContact O-N 3.4Å; D45-H47 PolarHBondContact O-N 3.17Å; D45-H47 PolarHBondContact OD1-N 2.98Å; D45-R48 HydrophobicContact CB-CB 4.05Å; D45-R48 VanDerWaalsContact CG-CB 3.43Å; D45-R48 PolarHBondContact O-N 3.48Å; D45-R48 WeakPolarHBondContact OD1-CB 3.42Å; D45-R48 PolarHBondContact OD1-N 3.28Å; D45-I49 PolarHBondContact O-N 3.31Å
46E97.5Very high95.9Very high54 Ų5455.3 Ų55.325%0.25227%0.27SS..Hα-helixtrans-61.1-32.1-177.8-61.585.3178.500111.9T44 R48 I49 I50 F88 D340T44-E46 HydrophobicContact CG2-CG 4.37Å; E46-R48 VanDerWaalsContact C-N 3.34Å; E46-R48 PolarHBondContact O-N 3.37Å; E46-I49 PolarHBondContact O-N 3.41Å; E46-I50 VanDerWaalsContact O-CG1 3.26Å; E46-I50 WeakPolarHBondContact O-CG1 3.28Å; E46-I50 PolarHBondContact O-N 3.23Å; E46-F88 HydrophobicContact CB-CE1 3.7Å; E46-F88 HydrophobicContact CB-CZ 3.91Å; E46-F88 HydrophobicContact CG-CD1 4.06Å; E46-F88 HydrophobicContact CG-CE1 3.45Å; E46-F88 VanDerWaalsContact CG-CE1 3.45Å; E46-F88 HydrophobicContact CG-CZ 4.2Å; E46-D340 HydrophobicContact CB-CB 3.98Å; E46-D340 VanDerWaalsContact CB-CG 3.45Å; E46-D340 HydrophobicContact CG-CB 4.27Å
47H97.2Very high95.7Very high67 Ų6753.8 Ų53.831%0.3127%0.266SS..Hα-helixtrans-64-41.7178-74.760.7000111.3D45 I50 K51 W353D45-H47 PolarHBondContact O-N 3.17Å; D45-H47 PolarHBondContact OD1-N 2.98Å; H47-I50 PolarHBondContact O-N 2.95Å; H47-K51 WeakPolarHBondContact O-CG 3.45Å; H47-K51 PolarHBondContact O-N 3.44Å; H47-W353 HydrophobicContact CB-CH2 4.28Å; H47-W353 HydrophobicContact CB-CZ3 4.35Å; H47-W353 AromaticContact CD2-CZ3 3.59Å
48R96.7Very high95.5Very high68 Ų6850.6 Ų50.626%0.25725%0.253SS..Hα-helixtrans-66.2-39.5175.8-169.7171.7-169.8177.51.1111.8E34 A38 D45 E46 I50 K51 V52E34-R48 PolarHBondContact O-NE 3.13Å; E34-R48 IonicContact OE1-CZ 3.32Å; E34-R48 IonicContact OE1-NH2 2.71Å; E34-R48 PolarHBondContact OE1-NH2 3.31Å; E34-R48 IonicContact OE2-CZ 3.05Å; E34-R48 IonicContact OE2-NE 2.71Å; E34-R48 PolarHBondContact OE2-NE 2.96Å; E34-R48 IonicContact OE2-NH2 2.82Å; E34-R48 PolarHBondContact OE2-NH2 3.41Å; A38-R48 HydrophobicContact CB-CB 3.95Å; A38-R48 HydrophobicContact CB-CG 4.06Å; D45-R48 HydrophobicContact CB-CB 4.05Å; D45-R48 VanDerWaalsContact CG-CB 3.43Å; D45-R48 PolarHBondContact O-N 3.48Å; D45-R48 WeakPolarHBondContact OD1-CB 3.42Å; D45-R48 PolarHBondContact OD1-N 3.28Å; E46-R48 VanDerWaalsContact C-N 3.34Å; E46-R48 PolarHBondContact O-N 3.37Å; R48-I50 PolarHBondContact O-N 2.83Å; R48-K51 PolarHBondContact O-N 3.32Å; R48-V52 PolarHBondContact O-N 3.47Å
49I98.2Very high95.2Very high0 Ų057.4 Ų57.40%028%0.279CS..Hα-helixtrans-59.7-47.3174.2-64.7168.3000110.7L35 A38 M39 T44 D45 E46 V52 L53 L80 F88 L92L35-I49 HydrophobicContact CD2-CB 4.34Å; L35-I49 HydrophobicContact CD2-CG1 4.18Å; L35-I49 HydrophobicContact CD2-CG2 4.18Å; A38-I49 HydrophobicContact CB-CD1 4.4Å; A38-I49 HydrophobicContact CB-CG1 3.75Å; M39-I49 HydrophobicContact CG-CD1 4.42Å; T44-I49 HydrophobicContact CG2-CD1 3.5Å; D45-I49 PolarHBondContact O-N 3.31Å; E46-I49 PolarHBondContact O-N 3.41Å; I49-V52 PolarHBondContact O-N 3.01Å; I49-L53 HydrophobicContact CG2-CD1 3.95Å; I49-L53 PolarHBondContact O-N 3Å; I49-L80 HydrophobicContact CD1-CD2 3.66Å; I49-L80 HydrophobicContact CG1-CD2 4.2Å; I49-L80 HydrophobicContact CG2-CD2 4.06Å; I49-F88 HydrophobicContact CG2-CZ 4.26Å; I49-L92 HydrophobicContact CG2-CD1 4.22Å; I49-L92 HydrophobicContact CG2-CD2 3.58Å
50I98Very high95.2Very high0 Ų057.2 Ų57.20%028%0.278CS..Hα-helixtrans-64.3-42.2-179.6-66.2167.7000111.4E46 H47 R48 V52 G54 F88 D340 R343 L344 A347 W353E46-I50 VanDerWaalsContact O-CG1 3.26Å; E46-I50 WeakPolarHBondContact O-CG1 3.28Å; E46-I50 PolarHBondContact O-N 3.23Å; H47-I50 PolarHBondContact O-N 2.95Å; R48-I50 PolarHBondContact O-N 2.83Å; I50-V52 PolarHBondContact O-N 2.78Å; I50-G54 WeakPolarHBondContact O-CA 3.33Å; I50-G54 PolarHBondContact O-N 2.96Å; I50-F88 HydrophobicContact CD1-CE2 3.87Å; I50-F88 HydrophobicContact CD1-CZ 4.19Å; I50-F88 HydrophobicContact CG1-CE2 3.7Å; I50-F88 HydrophobicContact CG1-CZ 3.93Å; I50-D340 HydrophobicContact CD1-CB 4.21Å; I50-R343 HydrophobicContact CD1-CB 3.64Å; I50-L344 HydrophobicContact CD1-CB 4.29Å; I50-L344 HydrophobicContact CG1-CB 4.1Å; I50-L344 HydrophobicContact CG1-CD1 4.3Å; I50-L344 HydrophobicContact CG2-CD1 4.17Å; I50-A347 HydrophobicContact CG2-CB 3.95Å; I50-W353 HydrophobicContact CB-CH2 3.9Å; I50-W353 HydrophobicContact CB-CZ2 4.12Å; I50-W353 HydrophobicContact CB-CZ3 4.33Å; I50-W353 HydrophobicContact CD1-CZ3 4.34Å; I50-W353 HydrophobicContact CG2-CD2 4.04Å; I50-W353 HydrophobicContact CG2-CE3 4.25Å; I50-W353 HydrophobicContact CG2-CH2 3.75Å; I50-W353 HydrophobicContact CG2-CZ2 3.52Å; I50-W353 HydrophobicContact CG2-CZ3 4.11Å
51K96.2Very high95.3Very high116 Ų11651.3 Ų51.350%0.50425%0.252SS..Hα-helixtrans-59-29.5176.9-79.2-178.1179.8179.10113.5H47 R48 Y55 W353H47-K51 WeakPolarHBondContact O-CG 3.45Å; H47-K51 PolarHBondContact O-N 3.44Å; R48-K51 PolarHBondContact O-N 3.32Å; K51-Y55 WeakPolarHBondContact O-CD2 3.17Å; K51-W353 HydrophobicContact CG-CH2 3.99Å; K51-W353 HydrophobicContact CG-CZ2 3.72Å
52V96.8Very high95.4Very high7 Ų750.4 Ų50.44%0.04223%0.232CC..Hα-helixtrans-83-69.7172.8-179.60000109D31 E34 L35 R48 I49 I50 G54 Y55 R56 I64D31-V52 HydrophobicContact CB-CG1 3.85Å; E34-V52 HydrophobicContact CB-CG2 3.91Å; L35-V52 HydrophobicContact CD1-CG1 4.22Å; L35-V52 HydrophobicContact CD2-CB 4.21Å; L35-V52 HydrophobicContact CD2-CG1 4.39Å; L35-V52 HydrophobicContact CG-CB 4.44Å; L35-V52 HydrophobicContact CG-CG1 4.21Å; R48-V52 PolarHBondContact O-N 3.47Å; I49-V52 PolarHBondContact O-N 3.01Å; I50-V52 PolarHBondContact O-N 2.78Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 3.4Å; V52-Y55 PolarHBondContact O-N 3.38Å; V52-Y55 VanDerWaalsContact O-N 3.08Å; V52-R56 HydrophobicContact CG1-CG 4.43Å; V52-R56 VanDerWaalsContact O-CG 3.26Å; V52-R56 WeakPolarHBondContact O-CG 3.45Å; V52-R56 PolarHBondContact O-N 3.12Å; V52-I64 HydrophobicContact CG1-CD1 4.26Å
53L97.2Very high95.9Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-70.9-26.6-165.1-63.4178.3000114.2L35 I49 Y55 R61 L80 L92 L95 L96L35-L53 HydrophobicContact CD1-CD2 4.16Å; L35-L53 HydrophobicContact CD1-CG 4.49Å; L35-L53 HydrophobicContact CD2-CD1 4.27Å; L35-L53 HydrophobicContact CD2-CG 4.18Å; I49-L53 HydrophobicContact CG2-CD1 3.95Å; I49-L53 PolarHBondContact O-N 3Å; L53-Y55 PolarHBondContact O-N 3.43Å; L53-R61 HydrophobicContact CD2-CG 4.19Å; L53-L80 HydrophobicContact CD1-CD1 4.03Å; L53-L92 HydrophobicContact CD1-CD2 3.69Å; L53-L95 HydrophobicContact CB-CD2 4.2Å; L53-L95 WeakPolarHBondContact O-CD2 3.45Å; L53-L96 HydrophobicContact CD1-CD1 4.16Å; L53-L96 HydrophobicContact CD1-CD2 4.36Å; L53-L96 HydrophobicContact CD1-CG 4.37Å; L53-L96 HydrophobicContact CD2-CD2 3.87Å
54G97.1Very high96.2Very high0 Ų038 Ų380%017%0.173CC..THydrogen-bonded Turntrans-74.1-5.8174.700000114.4L20 I50 V52L20-G54 WeakPolarHBondContact CD1-O 3.49Å; I50-G54 WeakPolarHBondContact O-CA 3.33Å; I50-G54 PolarHBondContact O-N 2.96Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 3.4Å
55Y96.9Very high96.3Very high62 Ų6239.7 Ų39.724%0.24318%0.176CC..THydrogen-bonded Turntrans-130.320.6-177.3-63.4-94.2000112.5K21 D23 K51 V52 L53 A347 W353K21-Y55 HydrophobicContact CB-CD1 4.07Å; K21-Y55 HydrophobicContact CB-CE1 4.2Å; K21-Y55 VanDerWaalsContact O-CD1 3.32Å; K21-Y55 WeakPolarHBondContact O-CD1 3.37Å; D23-Y55 PolarHBondContact N-O 3.26Å; K51-Y55 WeakPolarHBondContact O-CD2 3.17Å; V52-Y55 PolarHBondContact O-N 3.38Å; V52-Y55 VanDerWaalsContact O-N 3.08Å; L53-Y55 PolarHBondContact O-N 3.43Å; Y55-A347 HydrophobicContact CE2-CB 4.25Å; Y55-W353 AromaticContact CE2-NE1 3.74Å; Y55-W353 AromaticContact CZ-NE1 3.78Å; Y55-W353 PolarHBondContact OH-NE1 2.92Å
56R96.1Very high96.3Very high15 Ų1541.8 Ų41.86%0.05719%0.187CC..SBendtrans-122.3134.7175.5-63.1-65.4178.1-83.93.7109D23 D31 V52 Q60 R61 I64D23-R56 IonicContact OD2-CZ 3.5Å; D23-R56 IonicContact OD2-NH1 2.94Å; D23-R56 PolarHBondContact OD2-NH1 2.86Å; D23-R56 IonicContact OD2-NH2 3.08Å; D23-R56 PolarHBondContact OD2-NH2 3.39Å; D31-R56 IonicContact OD1-CZ 3.88Å; D31-R56 IonicContact OD1-NE 2.72Å; D31-R56 PolarHBondContact OD1-NE 3.49Å; D31-R56 IonicContact OD1-NH2 2.67Å; D31-R56 PolarHBondContact OD1-NH2 3.4Å; D31-R56 IonicContact OD2-CZ 3.97Å; D31-R56 IonicContact OD2-NE 3.57Å; D31-R56 PolarHBondContact OD2-NE 3.41Å; D31-R56 IonicContact OD2-NH2 3.22Å; D31-R56 PolarHBondContact OD2-NH2 3.15Å; V52-R56 HydrophobicContact CG1-CG 4.43Å; V52-R56 VanDerWaalsContact O-CG 3.26Å; V52-R56 WeakPolarHBondContact O-CG 3.45Å; V52-R56 PolarHBondContact O-N 3.12Å; R56-Q60 VanDerWaalsContact CA-OE1 3.26Å; R56-Q60 HydrophobicContact CB-CB 3.98Å; R56-R61 HydrophobicContact CB-CG 3.78Å; R56-R61 PolarHBondContact O-NH1 2.84Å; R56-I64 HydrophobicContact CB-CD1 4.33Å; R56-I64 HydrophobicContact CG-CD1 3.81Å
57N94.4Very high96.3Very high33 Ų3340.6 Ų40.618%0.17618%0.184CC..  trans-71.3167.5172.270.332.3000110.9L20 I22 Y59 Q60 R61 E311L20-N57 HydrophobicContact CD2-CB 4.3Å; I22-N57 HydrophobicContact CD1-CB 3.88Å; I22-N57 HydrophobicContact CG1-CB 4.15Å; I22-N57 HydrophobicContact CG2-CB 4.5Å; N57-Y59 VanDerWaalsContact C-N 3.29Å; N57-Y59 PolarHBondContact O-N 2.93Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.36Å; N57-Y59 PolarHBondContact OD1-N 3.19Å; N57-Y59 VanDerWaalsContact OD1-N 3.14Å; N57-Q60 PolarHBondContact O-N 3.39Å; N57-Q60 WeakPolarHBondContact OD1-CB 3.49Å; N57-Q60 VanDerWaalsContact OD1-CG 3.28Å; N57-Q60 WeakPolarHBondContact OD1-CG 3.32Å; N57-Q60 PolarHBondContact OD1-N 3.03Å; N57-R61 WeakPolarHBondContact O-CG 3.4Å; N57-R61 PolarHBondContact O-N 3.1Å; N57-E311 WeakPolarHBondContact CA-OE1 3.3Å; N57-E311 HydrophobicContact CB-CG 4.24Å; N57-E311 WeakPolarHBondContact CB-OE2 3.46Å
58S92.7Very high96.4Very high18 Ų1837.4 Ų37.413%0.12617%0.169CC..Hα-helixtrans-50-44178.854.70000114.3M1 R61 M62 E311M1-S58 WeakPolarHBondContact CE-OG 2.86Å; M1-S58 WeakPolarHBondContact CG-OG 3.39Å; M1-S58 PolarHBondContact SD-OG 2.69Å; S58-R61 PolarHBondContact O-N 3.33Å; S58-M62 WeakPolarHBondContact O-CG 3.36Å; S58-M62 PolarHBondContact O-N 3.09Å; S58-E311 WeakPolarHBondContact CB-OE2 3.43Å; S58-E311 VanDerWaalsContact N-CD 3.25Å; S58-E311 PolarHBondContact N-OE1 3.06Å; S58-E311 PolarHBondContact N-OE2 3.21Å; S58-E311 PolarHBondContact OG-OE2 3.28Å
59Y92.2Very high96.5Very high147 Ų14739 Ų3958%0.57618%0.178SC*.Hα-helixtrans-63.4-50179.2174.8-92.6000110.8N57 R61 M62 E63N57-Y59 VanDerWaalsContact C-N 3.29Å; N57-Y59 PolarHBondContact O-N 2.93Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.36Å; N57-Y59 PolarHBondContact OD1-N 3.19Å; N57-Y59 VanDerWaalsContact OD1-N 3.14Å; Y59-R61 VanDerWaalsContact C-N 3.28Å; Y59-R61 PolarHBondContact O-N 3.07Å; Y59-M62 PolarHBondContact O-N 3.31Å; Y59-M62 VanDerWaalsContact O-N 3.11Å; Y59-E63 HydrophobicContact CD1-CG 4.38Å; Y59-E63 HydrophobicContact CE1-CG 3.85Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.23Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.45Å; Y59-E63 WeakPolarHBondContact CE1-OE2 3.46Å; Y59-E63 VanDerWaalsContact CZ-CD 3.5Å; Y59-E63 VanDerWaalsContact CZ-OE1 3.26Å; Y59-E63 PolarHBondContact O-N 2.95Å; Y59-E63 PolarHBondContact OH-OE1 3.36Å
60Q95.4Very high96.5Very high9 Ų943.2 Ų43.24%0.04221%0.212CC..Hα-helixtrans-59.5-41.1175.3-66.9171.2-3800110.8D23 N26 R56 N57 M62 E63 I64D23-Q60 PolarHBondContact O-NE2 3.47Å; N26-Q60 WeakPolarHBondContact ND2-CG 3.3Å; N26-Q60 PolarHBondContact OD1-NE2 3.42Å; R56-Q60 VanDerWaalsContact CA-OE1 3.26Å; R56-Q60 HydrophobicContact CB-CB 3.98Å; N57-Q60 PolarHBondContact O-N 3.39Å; N57-Q60 WeakPolarHBondContact OD1-CB 3.49Å; N57-Q60 VanDerWaalsContact OD1-CG 3.28Å; N57-Q60 WeakPolarHBondContact OD1-CG 3.32Å; N57-Q60 PolarHBondContact OD1-N 3.03Å; Q60-M62 VanDerWaalsContact C-N 3.32Å; Q60-M62 PolarHBondContact O-N 3.22Å; Q60-E63 PolarHBondContact O-N 2.86Å; Q60-I64 WeakPolarHBondContact O-CD1 3.34Å; Q60-I64 WeakPolarHBondContact O-CG1 3.37Å; Q60-I64 PolarHBondContact O-N 3.15Å
61R96.2Very high96.5Very high4 Ų446.6 Ų46.62%0.01523%0.229CC..Hα-helixtrans-61.7-37.1176.2-72.5-169-60.1-109.6-2.9112.3L53 R56 N57 S58 Y59 R65 L95 L96 E311L53-R61 HydrophobicContact CD2-CG 4.19Å; R56-R61 HydrophobicContact CB-CG 3.78Å; R56-R61 PolarHBondContact O-NH1 2.84Å; N57-R61 WeakPolarHBondContact O-CG 3.4Å; N57-R61 PolarHBondContact O-N 3.1Å; S58-R61 PolarHBondContact O-N 3.33Å; Y59-R61 VanDerWaalsContact C-N 3.28Å; Y59-R61 PolarHBondContact O-N 3.07Å; R61-R65 WeakPolarHBondContact O-CG 3.36Å; R61-R65 PolarHBondContact O-N 2.89Å; R61-L95 WeakPolarHBondContact CD-O 3.47Å; R61-L95 PolarHBondContact NE-O 3.17Å; R61-L96 HydrophobicContact CB-CD2 4.17Å; R61-E311 IonicContact CZ-OE1 3.02Å; R61-E311 IonicContact NH1-OE1 2.59Å; R61-E311 IonicContact NH2-OE1 3.07Å; R61-E311 PolarHBondContact NH2-OE1 2.77Å
62M94.9Very high96.6Very high41 Ų4144.1 Ų44.120%0.20222%0.217CC..Hα-helixtrans-68.3-44.1172.9-64.2-48.6101.300111.8S58 Y59 Q60 I64 R65 D66 L96S58-M62 WeakPolarHBondContact O-CG 3.36Å; S58-M62 PolarHBondContact O-N 3.09Å; Y59-M62 PolarHBondContact O-N 3.31Å; Y59-M62 VanDerWaalsContact O-N 3.11Å; Q60-M62 VanDerWaalsContact C-N 3.32Å; Q60-M62 PolarHBondContact O-N 3.22Å; M62-I64 VanDerWaalsContact C-N 3.27Å; M62-I64 PolarHBondContact O-N 2.82Å; M62-R65 WeakPolarHBondContact O-CB 3.4Å; M62-R65 PolarHBondContact O-N 3.46Å; M62-D66 PolarHBondContact O-N 3.41Å; M62-D66 VanDerWaalsContact O-N 3.07Å; M62-L96 VanDerWaalsContact CE-O 3.29Å; M62-L96 WeakPolarHBondContact CE-O 3.25Å
63E95.6Very high96.6Very high61 Ų6146.2 Ų46.229%0.28524%0.24SC..Hα-helixtrans-59.7-38.5176.2-71.1-173.6133.400112.4P28 Y59 Q60 D66 T67P28-E63 HydrophobicContact CB-CB 4.28Å; Y59-E63 HydrophobicContact CD1-CG 4.38Å; Y59-E63 HydrophobicContact CE1-CG 3.85Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.23Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.45Å; Y59-E63 WeakPolarHBondContact CE1-OE2 3.46Å; Y59-E63 VanDerWaalsContact CZ-CD 3.5Å; Y59-E63 VanDerWaalsContact CZ-OE1 3.26Å; Y59-E63 PolarHBondContact O-N 2.95Å; Y59-E63 PolarHBondContact OH-OE1 3.36Å; Q60-E63 PolarHBondContact O-N 2.86Å; E63-D66 PolarHBondContact O-N 3.39Å; E63-T67 VanDerWaalsContact O-CB 3.25Å; E63-T67 WeakPolarHBondContact O-CB 3.43Å; E63-T67 PolarHBondContact O-N 3.18Å; E63-T67 PolarHBondContact O-OG1 3.06Å
64I97.5Very high96.6Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-62.4-42.7174.8-68.2165.2000110.4P28 D31 L35 V52 R56 Q60 M62 T67 F68 L76P28-I64 HydrophobicContact CB-CG1 4.33Å; D31-I64 HydrophobicContact CB-CD1 3.69Å; D31-I64 HydrophobicContact CB-CG1 3.74Å; D31-I64 HydrophobicContact CB-CG2 4.39Å; L35-I64 HydrophobicContact CD1-CG2 3.56Å; V52-I64 HydrophobicContact CG1-CD1 4.26Å; R56-I64 HydrophobicContact CB-CD1 4.33Å; R56-I64 HydrophobicContact CG-CD1 3.81Å; Q60-I64 WeakPolarHBondContact O-CD1 3.34Å; Q60-I64 WeakPolarHBondContact O-CG1 3.37Å; Q60-I64 PolarHBondContact O-N 3.15Å; M62-I64 VanDerWaalsContact C-N 3.27Å; M62-I64 PolarHBondContact O-N 2.82Å; I64-T67 PolarHBondContact O-N 2.92Å; I64-F68 VanDerWaalsContact O-CB 3.23Å; I64-F68 WeakPolarHBondContact O-CB 3.17Å; I64-F68 PolarHBondContact O-N 3.18Å; I64-L76 HydrophobicContact CG2-CD2 3.84Å
65R97.5Very high96.7Very high60 Ų6052.6 Ų52.623%0.22627%0.27CS..Hα-helixtrans-60.8-49.2177.5-71.5176.467.6-149.2-12.9111.8R61 M62 T67 F68 K69 D75 L76 L96R61-R65 WeakPolarHBondContact O-CG 3.36Å; R61-R65 PolarHBondContact O-N 2.89Å; M62-R65 WeakPolarHBondContact O-CB 3.4Å; M62-R65 PolarHBondContact O-N 3.46Å; R65-T67 VanDerWaalsContact C-N 3.31Å; R65-T67 PolarHBondContact O-N 3.4Å; R65-F68 PolarHBondContact O-N 3.31Å; R65-K69 WeakPolarHBondContact O-CB 3.36Å; R65-K69 PolarHBondContact O-N 3.36Å; R65-D75 IonicContact NH2-OD2 2.87Å; R65-L76 HydrophobicContact CG-CB 4.34Å; R65-L76 HydrophobicContact CG-CD2 3.98Å; R65-L96 WeakPolarHBondContact CD-O 3.33Å; R65-L96 HydrophobicContact CG-CD2 3.93Å; R65-L96 PolarHBondContact NE-O 2.66Å; R65-L96 PolarHBondContact NH1-O 3.23Å
66D97.6Very high96.7Very high116 Ų11649.7 Ų49.762%0.6226%0.259SS*.Hα-helixtrans-63.3-41.6-179.4-69.3-17.9000110.8M62 E63 K69 A70M62-D66 PolarHBondContact O-N 3.41Å; M62-D66 VanDerWaalsContact O-N 3.07Å; E63-D66 PolarHBondContact O-N 3.39Å; D66-K69 PolarHBondContact O-N 2.9Å; D66-A70 WeakPolarHBondContact O-CB 3.5Å; D66-A70 PolarHBondContact O-N 3.34Å
67T98.4Very high96.8Very high28 Ų2849.7 Ų49.717%0.17226%0.26CS..Hα-helixtrans-66.4-44.4178-590000112P28 K29 A32 E63 I64 R65 K69 A70 M71P28-T67 HydrophobicContact CB-CG2 4.42Å; K29-T67 HydrophobicContact CB-CG2 4.32Å; K29-T67 HydrophobicContact CG-CG2 3.73Å; A32-T67 HydrophobicContact CB-CG2 4.2Å; E63-T67 VanDerWaalsContact O-CB 3.25Å; E63-T67 WeakPolarHBondContact O-CB 3.43Å; E63-T67 PolarHBondContact O-N 3.18Å; E63-T67 PolarHBondContact O-OG1 3.06Å; I64-T67 PolarHBondContact O-N 2.92Å; R65-T67 VanDerWaalsContact C-N 3.31Å; R65-T67 PolarHBondContact O-N 3.4Å; T67-K69 VanDerWaalsContact C-N 3.31Å; T67-K69 PolarHBondContact O-N 3.37Å; T67-A70 PolarHBondContact O-N 3.05Å; T67-M71 HydrophobicContact CG2-CG 4.29Å; T67-M71 HydrophobicContact CG2-SD 3.7Å; T67-M71 WeakPolarHBondContact O-CB 3.37Å; T67-M71 WeakPolarHBondContact O-CG 3.16Å; T67-M71 PolarHBondContact O-N 3.48Å
68F98.5Very high96.9Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-59.9-43176.1-170.3-84000111.3A32 L35 Y36 M39 I64 R65 A70 M71 Y72 K74 L76 E79A32-F68 HydrophobicContact CB-CB 4.02Å; A32-F68 HydrophobicContact CB-CD2 4.03Å; A32-F68 WeakPolarHBondContact O-CD2 3.44Å; L35-F68 HydrophobicContact CB-CE2 4.39Å; Y36-F68 HydrophobicContact CD2-CZ 4.34Å; M39-F68 HydrophobicContact CE-CE2 3.87Å; M39-F68 HydrophobicContact CE-CZ 3.76Å; I64-F68 VanDerWaalsContact O-CB 3.23Å; I64-F68 WeakPolarHBondContact O-CB 3.17Å; I64-F68 PolarHBondContact O-N 3.18Å; R65-F68 PolarHBondContact O-N 3.31Å; F68-A70 PolarHBondContact O-N 3.08Å; F68-M71 PolarHBondContact O-N 2.88Å; F68-Y72 HydrophobicContact CD1-CD2 4.19Å; F68-Y72 AromaticContact CD2-CD2 3.74Å; F68-Y72 HydrophobicContact CD2-CD2 3.74Å; F68-Y72 AromaticContact CD2-CE2 3.93Å; F68-Y72 HydrophobicContact CD2-CE2 3.93Å; F68-Y72 HydrophobicContact CE1-CD2 4.22Å; F68-Y72 AromaticContact CE2-CD2 3.77Å; F68-Y72 HydrophobicContact CE2-CD2 3.77Å; F68-Y72 AromaticContact CE2-CE2 3.99Å; F68-Y72 HydrophobicContact CE2-CE2 3.99Å; F68-Y72 AromaticContact CG-CD2 3.96Å; F68-Y72 HydrophobicContact CG-CD2 3.96Å; F68-Y72 HydrophobicContact CZ-CD2 4.02Å; F68-Y72 WeakPolarHBondContact O-CD2 3.36Å; F68-Y72 PolarHBondContact O-N 3.07Å; F68-K74 HydrophobicContact CE1-CB 4.06Å; F68-L76 HydrophobicContact CB-CB 4.21Å; F68-L76 HydrophobicContact CB-CD2 4.46Å; F68-L76 HydrophobicContact CD1-CB 3.85Å; F68-L76 HydrophobicContact CD1-CD1 4.19Å; F68-L76 HydrophobicContact CD2-CD1 3.88Å; F68-L76 HydrophobicContact CE1-CB 4.42Å; F68-L76 HydrophobicContact CE1-CD1 4.24Å; F68-L76 HydrophobicContact CE2-CD1 3.94Å; F68-L76 HydrophobicContact CG-CB 4.04Å; F68-L76 HydrophobicContact CG-CD1 4.01Å; F68-L76 HydrophobicContact CG-CG 4.44Å; F68-L76 HydrophobicContact CZ-CD1 4.12Å; F68-E79 HydrophobicContact CE1-CG 4.09Å; F68-E79 HydrophobicContact CZ-CG 4.4Å
69K98.4Very high97.1Very high102 Ų10253.7 Ų53.744%0.44328%0.278SS..Hα-helixtrans-61.9-43.1175.3-175.262.5175.3-178.60112.1R65 D66 T67 G73 K74R65-K69 WeakPolarHBondContact O-CB 3.36Å; R65-K69 PolarHBondContact O-N 3.36Å; D66-K69 PolarHBondContact O-N 2.9Å; T67-K69 VanDerWaalsContact C-N 3.31Å; T67-K69 PolarHBondContact O-N 3.37Å; K69-G73 PolarHBondContact NZ-O 2.93Å; K69-G73 WeakPolarHBondContact O-CA 3.19Å; K69-G73 PolarHBondContact O-N 3.08Å; K69-K74 VanDerWaalsContact CA-O 3.28Å; K69-K74 WeakPolarHBondContact CA-O 3.43Å; K69-K74 VanDerWaalsContact CD-C 3.49Å; K69-K74 WeakPolarHBondContact CD-O 3.23Å
70A98.5Very high97.4Very high88 Ų8846.8 Ų46.873%0.72725%0.252SS*.Hα-helixtrans-66.6-39178.400000112.8D66 T67 F68D66-A70 WeakPolarHBondContact O-CB 3.5Å; D66-A70 PolarHBondContact O-N 3.34Å; T67-A70 PolarHBondContact O-N 3.05Å; F68-A70 PolarHBondContact O-N 3.08Å
71M98.4Very high97.3Very high72 Ų7247.5 Ų47.536%0.35526%0.257SS..Hα-helixtrans-77.8-39.8-176.4-71.1178.964.900113.2K29 A32 E33 T67 F68K29-M71 HydrophobicContact CB-SD 4.02Å; K29-M71 HydrophobicContact CG-SD 4.01Å; A32-M71 HydrophobicContact CB-SD 4.2Å; E33-M71 HydrophobicContact CG-CE 3.69Å; E33-M71 WeakPolarHBondContact OE1-CE 3.45Å; T67-M71 HydrophobicContact CG2-CG 4.29Å; T67-M71 HydrophobicContact CG2-SD 3.7Å; T67-M71 WeakPolarHBondContact O-CB 3.37Å; T67-M71 WeakPolarHBondContact O-CG 3.16Å; T67-M71 PolarHBondContact O-N 3.48Å; F68-M71 PolarHBondContact O-N 2.88Å
72Y97.8Very high97.3Very high64 Ų6453.1 Ų53.125%0.25129%0.287SS..Hα-helixtrans-114.1-9.3-171-56.9-65.5000113.9A32 E33 Y36 F68 K74A32-Y72 HydrophobicContact CB-CE2 4.47Å; E33-Y72 WeakPolarHBondContact CA-OH 3.39Å; E33-Y72 WeakPolarHBondContact CG-OH 3.47Å; Y36-Y72 AromaticContact CD1-CE1 3.97Å; Y36-Y72 HydrophobicContact CD1-CE1 3.97Å; Y36-Y72 AromaticContact CD2-CD1 3.75Å; Y36-Y72 HydrophobicContact CD2-CD1 3.75Å; Y36-Y72 HydrophobicContact CD2-CD2 4.09Å; Y36-Y72 AromaticContact CD2-CE1 3.78Å; Y36-Y72 HydrophobicContact CD2-CE1 3.78Å; Y36-Y72 HydrophobicContact CD2-CE2 4.12Å; Y36-Y72 AromaticContact CD2-CG 3.91Å; Y36-Y72 HydrophobicContact CD2-CG 3.91Å; Y36-Y72 AromaticContact CD2-CZ 3.96Å; Y36-Y72 HydrophobicContact CE1-CE1 4.28Å; Y36-Y72 AromaticContact CE2-CD1 3.89Å; Y36-Y72 HydrophobicContact CE2-CD1 3.89Å; Y36-Y72 HydrophobicContact CE2-CE1 4.12Å; Y36-Y72 HydrophobicContact CE2-CG 4.32Å; Y36-Y72 HydrophobicContact CG-CD1 4.17Å; Y36-Y72 HydrophobicContact CG-CD2 4.4Å; Y36-Y72 AromaticContact CG-CE1 3.7Å; Y36-Y72 HydrophobicContact CG-CE1 3.7Å; Y36-Y72 AromaticContact CG-CE2 3.96Å; Y36-Y72 HydrophobicContact CG-CE2 3.96Å; Y36-Y72 HydrophobicContact CG-CG 4.5Å; Y36-Y72 AromaticContact CG-CZ 3.58Å; F68-Y72 HydrophobicContact CD1-CD2 4.19Å; F68-Y72 AromaticContact CD2-CD2 3.74Å; F68-Y72 HydrophobicContact CD2-CD2 3.74Å; F68-Y72 AromaticContact CD2-CE2 3.93Å; F68-Y72 HydrophobicContact CD2-CE2 3.93Å; F68-Y72 HydrophobicContact CE1-CD2 4.22Å; F68-Y72 AromaticContact CE2-CD2 3.77Å; F68-Y72 HydrophobicContact CE2-CD2 3.77Å; F68-Y72 AromaticContact CE2-CE2 3.99Å; F68-Y72 HydrophobicContact CE2-CE2 3.99Å; F68-Y72 AromaticContact CG-CD2 3.96Å; F68-Y72 HydrophobicContact CG-CD2 3.96Å; F68-Y72 HydrophobicContact CZ-CD2 4.02Å; F68-Y72 WeakPolarHBondContact O-CD2 3.36Å; F68-Y72 PolarHBondContact O-N 3.07Å; Y72-K74 PolarHBondContact O-N 2.84Å
73G97.7Very high97.3Very high51 Ų5154.5 Ų54.553%0.52629%0.293SS..SBendtrans72.26.2-175.500000114.1K69K69-G73 PolarHBondContact NZ-O 2.93Å; K69-G73 WeakPolarHBondContact O-CA 3.19Å; K69-G73 PolarHBondContact O-N 3.08Å
74K97.4Very high97.4Very high86 Ų8652.1 Ų52.137%0.37428%0.283SS..SBendtrans-111.7148.8-173.9-60-169.9177-170.90112F68 K69 Y72 E79F68-K74 HydrophobicContact CE1-CB 4.06Å; K69-K74 VanDerWaalsContact CA-O 3.28Å; K69-K74 WeakPolarHBondContact CA-O 3.43Å; K69-K74 VanDerWaalsContact CD-C 3.49Å; K69-K74 WeakPolarHBondContact CD-O 3.23Å; Y72-K74 PolarHBondContact O-N 2.84Å; K74-E79 HydrophobicContact CB-CG 3.97Å; K74-E79 HydrophobicContact CD-CG 3.94Å; K74-E79 WeakPolarHBondContact CD-OE2 3.45Å; K74-E79 IonicContact NZ-OE1 3.8Å; K74-E79 IonicContact NZ-OE2 3.02Å; K74-E79 PolarHBondContact NZ-OE2 2.94Å
75D97.8Very high97.4Very high47 Ų4756.4 Ų56.425%0.25131%0.313SS..  trans-80.5128.1173.4-178.2-84.9000110.1R65 I77 D78 E79R65-D75 IonicContact NH2-OD2 2.87Å; D75-I77 PolarHBondContact O-N 3.2Å; D75-I77 WeakPolarHBondContact OD1-CA 3.34Å; D75-I77 VanDerWaalsContact OD1-CB 3.3Å; D75-I77 WeakPolarHBondContact OD1-CB 3.42Å; D75-I77 PolarHBondContact OD1-N 2.87Å; D75-D78 HydrophobicContact CB-CB 4.14Å; D75-D78 PolarHBondContact O-N 3.31Å; D75-D78 PolarHBondContact OD1-N 3.29Å; D75-E79 WeakPolarHBondContact O-CG 3.3Å; D75-E79 PolarHBondContact O-N 2.68Å; D75-E79 VanDerWaalsContact O-N 3.07Å
76L98.2Very high97.3Very high1 Ų155.3 Ų55.31%0.00532%0.321CS..Hα-helixtrans-66.2-35.5-175.7177.259.5000112.9L35 M39 I64 R65 F68 L80 L96L35-L76 HydrophobicContact CB-CD1 4.4Å; L35-L76 HydrophobicContact CD1-CD1 4.13Å; L35-L76 HydrophobicContact CD1-CD2 3.88Å; M39-L76 HydrophobicContact CE-CD1 3.82Å; I64-L76 HydrophobicContact CG2-CD2 3.84Å; R65-L76 HydrophobicContact CG-CB 4.34Å; R65-L76 HydrophobicContact CG-CD2 3.98Å; F68-L76 HydrophobicContact CB-CB 4.21Å; F68-L76 HydrophobicContact CB-CD2 4.46Å; F68-L76 HydrophobicContact CD1-CB 3.85Å; F68-L76 HydrophobicContact CD1-CD1 4.19Å; F68-L76 HydrophobicContact CD2-CD1 3.88Å; F68-L76 HydrophobicContact CE1-CB 4.42Å; F68-L76 HydrophobicContact CE1-CD1 4.24Å; F68-L76 HydrophobicContact CE2-CD1 3.94Å; F68-L76 HydrophobicContact CG-CB 4.04Å; F68-L76 HydrophobicContact CG-CD1 4.01Å; F68-L76 HydrophobicContact CG-CG 4.44Å; F68-L76 HydrophobicContact CZ-CD1 4.12Å; L76-L80 HydrophobicContact CD1-CD1 3.88Å; L76-L80 HydrophobicContact CD1-CG 4.11Å; L76-L80 HydrophobicContact CG-CD1 3.99Å; L76-L80 WeakPolarHBondContact O-CB 3.39Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 3.1Å; L76-L80 VanDerWaalsContact O-N 3.09Å; L76-L96 HydrophobicContact CD2-CD1 4.17Å; L76-L96 HydrophobicContact CD2-CD2 4.16Å; L76-L96 HydrophobicContact CG-CD1 4.07Å
77I96.9Very high97.3Very high16 Ų1652.1 Ų52.18%0.08230%0.304CS..Hα-helixtrans-67.3-44.7179-65.2176.2000109.3D75 L80 C81 K93 L96D75-I77 PolarHBondContact O-N 3.2Å; D75-I77 WeakPolarHBondContact OD1-CA 3.34Å; D75-I77 VanDerWaalsContact OD1-CB 3.3Å; D75-I77 WeakPolarHBondContact OD1-CB 3.42Å; D75-I77 PolarHBondContact OD1-N 2.87Å; I77-L80 PolarHBondContact O-N 3.32Å; I77-C81 WeakPolarHBondContact O-CB 3.34Å; I77-C81 PolarHBondContact O-N 3.38Å; I77-C81 PolarHBondContact O-SG 3.06Å; I77-K93 HydrophobicContact CG2-CB 4.43Å; I77-K93 HydrophobicContact CG2-CD 4.27Å; I77-K93 HydrophobicContact CG2-CG 3.89Å; I77-L96 HydrophobicContact CD1-CB 4.01Å; I77-L96 HydrophobicContact CG1-CB 3.71Å; I77-L96 HydrophobicContact CG1-CD1 4.14Å
78D97Very high97.3Very high98 Ų9851.4 Ų51.452%0.52430%0.298SS..Hα-helixtrans-62.2-45.6179.1-69.6-20.1000111.8D75 C81 N82D75-D78 HydrophobicContact CB-CB 4.14Å; D75-D78 PolarHBondContact O-N 3.31Å; D75-D78 PolarHBondContact OD1-N 3.29Å; D78-C81 PolarHBondContact O-N 3.46Å; D78-N82 VanDerWaalsContact O-CG 3.25Å; D78-N82 PolarHBondContact O-N 2.92Å; D78-N82 PolarHBondContact O-ND2 3.39Å
79E97.5Very high97.3Very high36 Ų3656.2 Ų56.217%0.16832%0.316CS..Hα-helixtrans-59.7-49.4176.6-68.1-66.1106.500111.2M39 F68 K74 D75 C81 N82 E83M39-E79 HydrophobicContact CE-CB 4.19Å; M39-E79 HydrophobicContact SD-CB 3.83Å; F68-E79 HydrophobicContact CE1-CG 4.09Å; F68-E79 HydrophobicContact CZ-CG 4.4Å; K74-E79 HydrophobicContact CB-CG 3.97Å; K74-E79 HydrophobicContact CD-CG 3.94Å; K74-E79 WeakPolarHBondContact CD-OE2 3.45Å; K74-E79 IonicContact NZ-OE1 3.8Å; K74-E79 IonicContact NZ-OE2 3.02Å; K74-E79 PolarHBondContact NZ-OE2 2.94Å; D75-E79 WeakPolarHBondContact O-CG 3.3Å; D75-E79 PolarHBondContact O-N 2.68Å; D75-E79 VanDerWaalsContact O-N 3.07Å; E79-C81 VanDerWaalsContact C-N 3.26Å; E79-C81 PolarHBondContact O-N 3.11Å; E79-N82 PolarHBondContact O-N 3.33Å; E79-N82 VanDerWaalsContact O-N 3.12Å; E79-E83 WeakPolarHBondContact O-CG 3.09Å; E79-E83 PolarHBondContact O-N 3.38Å
80L97.4Very high97.3Very high3 Ų356 Ų562%0.01631%0.313CS..Hα-helixtrans-61.8-35.2177.3-73.1166.8000112M39 I49 L53 L76 I77 N82 E83 T84 L92 L96M39-L80 HydrophobicContact CE-CD2 4.25Å; M39-L80 HydrophobicContact CE-CG 4.35Å; M39-L80 HydrophobicContact CG-CD2 4.32Å; M39-L80 HydrophobicContact SD-CB 4.49Å; M39-L80 HydrophobicContact SD-CD2 3.54Å; M39-L80 VanDerWaalsContact SD-CD2 3.54Å; M39-L80 HydrophobicContact SD-CG 3.79Å; I49-L80 HydrophobicContact CD1-CD2 3.66Å; I49-L80 HydrophobicContact CG1-CD2 4.2Å; I49-L80 HydrophobicContact CG2-CD2 4.06Å; L53-L80 HydrophobicContact CD1-CD1 4.03Å; L76-L80 HydrophobicContact CD1-CD1 3.88Å; L76-L80 HydrophobicContact CD1-CG 4.11Å; L76-L80 HydrophobicContact CG-CD1 3.99Å; L76-L80 WeakPolarHBondContact O-CB 3.39Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 3.1Å; L76-L80 VanDerWaalsContact O-N 3.09Å; I77-L80 PolarHBondContact O-N 3.32Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.24Å; L80-E83 PolarHBondContact O-N 2.82Å; L80-T84 WeakPolarHBondContact O-CB 3.39Å; L80-T84 WeakPolarHBondContact O-CG2 3.34Å; L80-T84 PolarHBondContact O-N 3.39Å; L80-T84 PolarHBondContact O-OG1 2.97Å; L80-L92 HydrophobicContact CD2-CD1 4.3Å; L80-L96 HydrophobicContact CD1-CD1 3.3Å
81C95Very high97.3Very high24 Ų2451.8 Ų51.816%0.16228%0.278CS..Hα-helixtrans-70.4-26178.4-74.20000113.7I77 D78 E79 R89I77-C81 WeakPolarHBondContact O-CB 3.34Å; I77-C81 PolarHBondContact O-N 3.38Å; I77-C81 PolarHBondContact O-SG 3.06Å; D78-C81 PolarHBondContact O-N 3.46Å; E79-C81 VanDerWaalsContact C-N 3.26Å; E79-C81 PolarHBondContact O-N 3.11Å; C81-R89 HydrophobicContact CB-CG 4.29Å; C81-R89 VanDerWaalsContact O-CD 3.24Å; C81-R89 WeakPolarHBondContact O-CD 3.42Å; C81-R89 PolarHBondContact O-NH1 3.2Å
82N95.5Very high97.2Very high121 Ų12148.4 Ų48.465%0.64726%0.262SS*.Hα-helixtrans-80.2-36.6174.4-67.4-27.6000111.8D78 E79 L80D78-N82 VanDerWaalsContact O-CG 3.25Å; D78-N82 PolarHBondContact O-N 2.92Å; D78-N82 PolarHBondContact O-ND2 3.39Å; E79-N82 PolarHBondContact O-N 3.33Å; E79-N82 VanDerWaalsContact O-N 3.12Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.24Å
83E95.6Very high97.2Very high70 Ų7050 Ų5033%0.32727%0.27SS..Hα-helixtrans-88.4-12.1-175.7-65.1-57.4150.900114M39 T44 E79 L80M39-E83 HydrophobicContact CB-CG 3.98Å; M39-E83 HydrophobicContact CG-CB 4.18Å; M39-E83 HydrophobicContact CG-CG 3.97Å; M39-E83 HydrophobicContact SD-CB 4.49Å; M39-E83 HydrophobicContact SD-CG 4.23Å; T44-E83 HydrophobicContact CG2-CB 4.26Å; T44-E83 PolarHBondContact OG1-O 3.32Å; E79-E83 WeakPolarHBondContact O-CG 3.09Å; E79-E83 PolarHBondContact O-N 3.38Å; L80-E83 PolarHBondContact O-N 2.82Å
84T96.9Very high97.2Very high12 Ų1249 Ų497%0.07425%0.252CS..  trans-127.4165.5-178.469.30000111.8T44 L80 F88 R89 L92T44-T84 HydrophobicContact CG2-CG2 4.31Å; L80-T84 WeakPolarHBondContact O-CB 3.39Å; L80-T84 WeakPolarHBondContact O-CG2 3.34Å; L80-T84 PolarHBondContact O-N 3.39Å; L80-T84 PolarHBondContact O-OG1 2.97Å; T84-F88 HydrophobicContact CG2-CD1 3.89Å; T84-F88 HydrophobicContact CG2-CE1 3.77Å; T84-R89 WeakPolarHBondContact O-CD 3.21Å; T84-R89 WeakPolarHBondContact OG1-CA 3.49Å; T84-R89 VanDerWaalsContact OG1-CB 3.26Å; T84-R89 WeakPolarHBondContact OG1-CB 3.28Å; T84-L92 HydrophobicContact CG2-CD1 3.89Å
85S96.5Very high97.2Very high89 Ų8945 Ų4562%0.62223%0.234SC*.  trans-141.6176.4-179.671.90000112.2D87 R89S85-D87 PolarHBondContact O-N 2.85Å; S85-R89 PolarHBondContact O-N 3.38Å
86G97.3Very high97.1Very high38 Ų3842.8 Ų42.839%0.39222%0.222SC..Hα-helixtrans53.5-138.4177.400000113.4R89 R90G86-R89 WeakPolarHBondContact O-CB 3.18Å; G86-R89 PolarHBondContact O-N 3.43Å; G86-R90 WeakPolarHBondContact O-CG 3.32Å; G86-R90 PolarHBondContact O-N 3.46Å
87D97.7Very high96.9Very high48 Ų4843.3 Ų43.326%0.25723%0.226SC..Hα-helixtrans-81.9-29.6-167.5-65.6-4000112.4S85 R89 R90 L91 M303 Y341S85-D87 PolarHBondContact O-N 2.85Å; D87-R89 VanDerWaalsContact C-N 3.31Å; D87-R89 PolarHBondContact O-N 3.41Å; D87-R90 PolarHBondContact O-N 3.11Å; D87-R90 VanDerWaalsContact O-N 3.16Å; D87-R90 IonicContact OD1-CZ 3.92Å; D87-R90 IonicContact OD1-NE 2.97Å; D87-R90 PolarHBondContact OD1-NE 2.99Å; D87-R90 IonicContact OD1-NH2 3.11Å; D87-R90 PolarHBondContact OD1-NH2 3.31Å; D87-R90 IonicContact OD2-NH2 2.97Å; D87-R90 PolarHBondContact OD2-NH2 3.36Å; D87-L91 WeakPolarHBondContact O-CB 3.4Å; D87-L91 PolarHBondContact O-N 2.86Å; D87-M303 HydrophobicContact CB-CE 3.56Å; D87-M303 WeakPolarHBondContact O-CE 3.27Å; D87-Y341 HydrophobicContact CB-CD1 3.72Å; D87-Y341 HydrophobicContact CB-CD2 4.04Å; D87-Y341 HydrophobicContact CB-CE1 4.16Å; D87-Y341 HydrophobicContact CB-CE2 4.47Å; D87-Y341 HydrophobicContact CB-CG 3.64Å
88F98.2Very high96.7Very high13 Ų1346 Ų466%0.05724%0.24CC..Hα-helixtrans-58.4-46.4170.1-175.6-126.8000110.6E46 I49 I50 T84 R90 L91 L92 D340 L344E46-F88 HydrophobicContact CB-CE1 3.7Å; E46-F88 HydrophobicContact CB-CZ 3.91Å; E46-F88 HydrophobicContact CG-CD1 4.06Å; E46-F88 HydrophobicContact CG-CE1 3.45Å; E46-F88 VanDerWaalsContact CG-CE1 3.45Å; E46-F88 HydrophobicContact CG-CZ 4.2Å; I49-F88 HydrophobicContact CG2-CZ 4.26Å; I50-F88 HydrophobicContact CD1-CE2 3.87Å; I50-F88 HydrophobicContact CD1-CZ 4.19Å; I50-F88 HydrophobicContact CG1-CE2 3.7Å; I50-F88 HydrophobicContact CG1-CZ 3.93Å; T84-F88 HydrophobicContact CG2-CD1 3.89Å; T84-F88 HydrophobicContact CG2-CE1 3.77Å; F88-R90 PolarHBondContact O-N 3.25Å; F88-L91 PolarHBondContact O-N 3.45Å; F88-L92 HydrophobicContact CD1-CD1 3.91Å; F88-L92 HydrophobicContact CD2-CD1 4.33Å; F88-L92 HydrophobicContact CD2-CG 4.3Å; F88-L92 HydrophobicContact CE1-CD1 3.58Å; F88-L92 HydrophobicContact CE1-CG 4.46Å; F88-L92 HydrophobicContact CE2-CD1 4.04Å; F88-L92 HydrophobicContact CE2-CD2 4.2Å; F88-L92 HydrophobicContact CE2-CG 4.04Å; F88-L92 HydrophobicContact CG-CD1 4.27Å; F88-L92 HydrophobicContact CZ-CD1 3.66Å; F88-L92 HydrophobicContact CZ-CD2 4.23Å; F88-L92 HydrophobicContact CZ-CG 4.13Å; F88-L92 WeakPolarHBondContact O-CB 3.24Å; F88-L92 VanDerWaalsContact O-CG 3.27Å; F88-L92 WeakPolarHBondContact O-CG 3.27Å; F88-L92 PolarHBondContact O-N 3.41Å; F88-D340 HydrophobicContact CB-CB 4.31Å; F88-D340 HydrophobicContact CD1-CB 3.89Å; F88-D340 VanDerWaalsContact CD2-C 3.48Å; F88-D340 HydrophobicContact CD2-CB 3.72Å; F88-D340 WeakPolarHBondContact CD2-O 3.19Å; F88-D340 HydrophobicContact CE1-CB 4.08Å; F88-D340 HydrophobicContact CE2-CB 3.91Å; F88-D340 HydrophobicContact CG-CB 3.71Å; F88-D340 HydrophobicContact CZ-CB 4.09Å; F88-L344 HydrophobicContact CD2-CB 4.33Å; F88-L344 HydrophobicContact CD2-CD2 4.15Å; F88-L344 HydrophobicContact CE2-CB 4.1Å; F88-L344 HydrophobicContact CE2-CD2 3.83Å
89R98Very high96.4Very high101 Ų10142 Ų4238%0.38122%0.219SC..Hα-helixtrans-60.5-44.1173.4-178.3176.459-167.51112.6C81 T84 S85 G86 D87 L91 K93C81-R89 HydrophobicContact CB-CG 4.29Å; C81-R89 VanDerWaalsContact O-CD 3.24Å; C81-R89 WeakPolarHBondContact O-CD 3.42Å; C81-R89 PolarHBondContact O-NH1 3.2Å; T84-R89 WeakPolarHBondContact O-CD 3.21Å; T84-R89 WeakPolarHBondContact OG1-CA 3.49Å; T84-R89 VanDerWaalsContact OG1-CB 3.26Å; T84-R89 WeakPolarHBondContact OG1-CB 3.28Å; S85-R89 PolarHBondContact O-N 3.38Å; G86-R89 WeakPolarHBondContact O-CB 3.18Å; G86-R89 PolarHBondContact O-N 3.43Å; D87-R89 VanDerWaalsContact C-N 3.31Å; D87-R89 PolarHBondContact O-N 3.41Å; R89-L91 VanDerWaalsContact C-N 3.34Å; R89-L91 PolarHBondContact O-N 3Å; R89-K93 WeakPolarHBondContact O-CB 3.41Å; R89-K93 PolarHBondContact O-N 2.88Å
90R97.5Very high96.2Very high97 Ų9741.5 Ų41.537%0.36622%0.217SC..Hα-helixtrans-59-47.6179.5-66.6-168-73.5159.9-3.9110.6G86 D87 F88 K93 M94 D299 C300 M303G86-R90 WeakPolarHBondContact O-CG 3.32Å; G86-R90 PolarHBondContact O-N 3.46Å; D87-R90 PolarHBondContact O-N 3.11Å; D87-R90 VanDerWaalsContact O-N 3.16Å; D87-R90 IonicContact OD1-CZ 3.92Å; D87-R90 IonicContact OD1-NE 2.97Å; D87-R90 PolarHBondContact OD1-NE 2.99Å; D87-R90 IonicContact OD1-NH2 3.11Å; D87-R90 PolarHBondContact OD1-NH2 3.31Å; D87-R90 IonicContact OD2-NH2 2.97Å; D87-R90 PolarHBondContact OD2-NH2 3.36Å; F88-R90 PolarHBondContact O-N 3.25Å; R90-K93 PolarHBondContact O-N 2.77Å; R90-M94 PolarHBondContact O-N 2.85Å; R90-M94 VanDerWaalsContact O-N 3.09Å; R90-D299 IonicContact NH2-OD2 3.66Å; R90-C300 PolarHBondContact NH1-SG 3.07Å; R90-C300 VanDerWaalsContact NH1-SG 3.39Å; R90-M303 HydrophobicContact CB-CE 4.16Å; R90-M303 HydrophobicContact CB-SD 3.91Å
91L98.2Very high96.1Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-66.2-46.2180-178.455.5000112.1D87 F88 R89 K93 M94 L95 M303 V307 Y341 L344 L345 L348D87-L91 WeakPolarHBondContact O-CB 3.4Å; D87-L91 PolarHBondContact O-N 2.86Å; F88-L91 PolarHBondContact O-N 3.45Å; R89-L91 VanDerWaalsContact C-N 3.34Å; R89-L91 PolarHBondContact O-N 3Å; L91-K93 VanDerWaalsContact C-N 3.33Å; L91-K93 PolarHBondContact O-N 2.85Å; L91-M94 WeakPolarHBondContact O-CA 3.48Å; L91-M94 WeakPolarHBondContact O-CB 3.38Å; L91-M94 PolarHBondContact O-N 3.42Å; L91-L95 HydrophobicContact CD1-CD1 3.51Å; L91-L95 HydrophobicContact CG-CD1 3.7Å; L91-L95 WeakPolarHBondContact O-CD1 3.26Å; L91-L95 PolarHBondContact O-N 2.83Å; L91-M303 HydrophobicContact CB-CE 4.44Å; L91-M303 HydrophobicContact CB-CG 4.27Å; L91-M303 HydrophobicContact CB-SD 4.01Å; L91-M303 HydrophobicContact CD1-CB 4.07Å; L91-M303 HydrophobicContact CD1-CG 3.98Å; L91-V307 HydrophobicContact CD1-CG2 3.47Å; L91-V307 VanDerWaalsContact CD1-CG2 3.47Å; L91-Y341 HydrophobicContact CB-CD2 4.38Å; L91-Y341 HydrophobicContact CD2-CD2 3.82Å; L91-Y341 HydrophobicContact CD2-CE2 4.04Å; L91-L344 HydrophobicContact CB-CD2 4.36Å; L91-L344 HydrophobicContact CD2-CB 3.85Å; L91-L344 HydrophobicContact CD2-CD2 3.69Å; L91-L344 HydrophobicContact CD2-CG 3.63Å; L91-L344 HydrophobicContact CG-CD2 3.71Å; L91-L344 HydrophobicContact CG-CG 4.11Å; L91-L345 HydrophobicContact CD1-CD2 4.33Å; L91-L345 HydrophobicContact CD2-CD2 3.57Å; L91-L345 HydrophobicContact CD2-CG 3.94Å; L91-L348 HydrophobicContact CD1-CD1 4.28Å
92L98.2Very high96.1Very high2 Ų243.6 Ų43.61%0.0122%0.224CC..Hα-helixtrans-56.5-46176.1-74.6172.4000112.3I49 L53 L80 T84 F88 M94 L95 L96 L344I49-L92 HydrophobicContact CG2-CD1 4.22Å; I49-L92 HydrophobicContact CG2-CD2 3.58Å; L53-L92 HydrophobicContact CD1-CD2 3.69Å; L80-L92 HydrophobicContact CD2-CD1 4.3Å; T84-L92 HydrophobicContact CG2-CD1 3.89Å; F88-L92 HydrophobicContact CD1-CD1 3.91Å; F88-L92 HydrophobicContact CD2-CD1 4.33Å; F88-L92 HydrophobicContact CD2-CG 4.3Å; F88-L92 HydrophobicContact CE1-CD1 3.58Å; F88-L92 HydrophobicContact CE1-CG 4.46Å; F88-L92 HydrophobicContact CE2-CD1 4.04Å; F88-L92 HydrophobicContact CE2-CD2 4.2Å; F88-L92 HydrophobicContact CE2-CG 4.04Å; F88-L92 HydrophobicContact CG-CD1 4.27Å; F88-L92 HydrophobicContact CZ-CD1 3.66Å; F88-L92 HydrophobicContact CZ-CD2 4.23Å; F88-L92 HydrophobicContact CZ-CG 4.13Å; F88-L92 WeakPolarHBondContact O-CB 3.24Å; F88-L92 VanDerWaalsContact O-CG 3.27Å; F88-L92 WeakPolarHBondContact O-CG 3.27Å; F88-L92 PolarHBondContact O-N 3.41Å; L92-M94 VanDerWaalsContact C-N 3.25Å; L92-M94 PolarHBondContact O-N 3.22Å; L92-L95 PolarHBondContact O-N 3.5Å; L92-L96 WeakPolarHBondContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.28Å; L92-L96 VanDerWaalsContact O-N 3.16Å; L92-L344 HydrophobicContact CD2-CD2 3.75Å; L92-L344 HydrophobicContact CG-CD2 4.12Å
93K97.4Very high96.1Very high98 Ų9838.4 Ų38.443%0.42620%0.197SC..Hα-helixtrans-60.6-37.8176-179.5170.6-176168.70111.7I77 R89 R90 L91 T97I77-K93 HydrophobicContact CG2-CB 4.43Å; I77-K93 HydrophobicContact CG2-CD 4.27Å; I77-K93 HydrophobicContact CG2-CG 3.89Å; R89-K93 WeakPolarHBondContact O-CB 3.41Å; R89-K93 PolarHBondContact O-N 2.88Å; R90-K93 PolarHBondContact O-N 2.77Å; L91-K93 VanDerWaalsContact C-N 3.33Å; L91-K93 PolarHBondContact O-N 2.85Å; K93-T97 WeakPolarHBondContact O-CB 3.35Å; K93-T97 PolarHBondContact O-N 2.87Å; K93-T97 PolarHBondContact O-OG1 3.05Å
94M97.1Very high96.2Very high30 Ų3035.1 Ų35.115%0.14818%0.181CC..Hα-helixtrans-66.6-47.1177.3-165.5-178.1-74.800111.5R90 L91 L92 L96 T97 V102 M303 R304 V307R90-M94 PolarHBondContact O-N 2.85Å; R90-M94 VanDerWaalsContact O-N 3.09Å; L91-M94 WeakPolarHBondContact O-CA 3.48Å; L91-M94 WeakPolarHBondContact O-CB 3.38Å; L91-M94 PolarHBondContact O-N 3.42Å; L92-M94 VanDerWaalsContact C-N 3.25Å; L92-M94 PolarHBondContact O-N 3.22Å; M94-L96 PolarHBondContact O-N 3.26Å; M94-T97 PolarHBondContact O-N 2.8Å; M94-T97 VanDerWaalsContact O-N 3.08Å; M94-V102 HydrophobicContact CE-CG1 4.19Å; M94-V102 HydrophobicContact CG-CB 4.33Å; M94-V102 HydrophobicContact CG-CG1 3.59Å; M94-V102 HydrophobicContact CG-CG2 3.7Å; M94-V102 HydrophobicContact SD-CG1 3.86Å; M94-M303 HydrophobicContact CE-CB 3.92Å; M94-M303 HydrophobicContact SD-CB 3.96Å; M94-R304 HydrophobicContact CE-CB 4.31Å; M94-R304 HydrophobicContact SD-CB 4.31Å; M94-V307 HydrophobicContact CB-CG2 4.47Å; M94-V307 HydrophobicContact CG-CB 4.3Å; M94-V307 HydrophobicContact CG-CG1 4.12Å; M94-V307 HydrophobicContact CG-CG2 4.18Å; M94-V307 HydrophobicContact SD-CB 3.98Å; M94-V307 HydrophobicContact SD-CG1 4.43Å; M94-V307 HydrophobicContact SD-CG2 3.88Å
95L96.7Very high96.2Very high1 Ų137.4 Ų37.41%0.00519%0.189CC..Hα-helixtrans-57.4-33.8176.7-92.687.7000113.5L53 R61 L91 L92 V307 L344 L348L53-L95 HydrophobicContact CB-CD2 4.2Å; L53-L95 WeakPolarHBondContact O-CD2 3.45Å; R61-L95 WeakPolarHBondContact CD-O 3.47Å; R61-L95 PolarHBondContact NE-O 3.17Å; L91-L95 HydrophobicContact CD1-CD1 3.51Å; L91-L95 HydrophobicContact CG-CD1 3.7Å; L91-L95 WeakPolarHBondContact O-CD1 3.26Å; L91-L95 PolarHBondContact O-N 2.83Å; L92-L95 PolarHBondContact O-N 3.5Å; L95-V307 HydrophobicContact CD1-CG2 3.73Å; L95-V307 HydrophobicContact CG-CG2 4.34Å; L95-L344 HydrophobicContact CD1-CD2 4.23Å; L95-L344 HydrophobicContact CD2-CD1 4.41Å; L95-L348 HydrophobicContact CD1-CD1 3.95Å; L95-L348 HydrophobicContact CD2-CD2 4.07Å
96L96.9Very high96.3Very high0 Ų033.9 Ų33.90%017%0.165CC..THydrogen-bonded Turntrans-92.21.1-177.4-68.3176.6000113.1L53 R61 M62 R65 L76 I77 L80 L92 M94L53-L96 HydrophobicContact CD1-CD1 4.16Å; L53-L96 HydrophobicContact CD1-CD2 4.36Å; L53-L96 HydrophobicContact CD1-CG 4.37Å; L53-L96 HydrophobicContact CD2-CD2 3.87Å; R61-L96 HydrophobicContact CB-CD2 4.17Å; M62-L96 VanDerWaalsContact CE-O 3.29Å; M62-L96 WeakPolarHBondContact CE-O 3.25Å; R65-L96 WeakPolarHBondContact CD-O 3.33Å; R65-L96 HydrophobicContact CG-CD2 3.93Å; R65-L96 PolarHBondContact NE-O 2.66Å; R65-L96 PolarHBondContact NH1-O 3.23Å; L76-L96 HydrophobicContact CD2-CD1 4.17Å; L76-L96 HydrophobicContact CD2-CD2 4.16Å; L76-L96 HydrophobicContact CG-CD1 4.07Å; I77-L96 HydrophobicContact CD1-CB 4.01Å; I77-L96 HydrophobicContact CG1-CB 3.71Å; I77-L96 HydrophobicContact CG1-CD1 4.14Å; L80-L96 HydrophobicContact CD1-CD1 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.28Å; L92-L96 VanDerWaalsContact O-N 3.16Å; M94-L96 PolarHBondContact O-N 3.26Å
97T94.4Very high96.3Very high13 Ų1332 Ų328%0.0815%0.146CC..SBendtrans-99.2143173.6-61.50000109.5K93 M94 I99 K101 V102 R105K93-T97 WeakPolarHBondContact O-CB 3.35Å; K93-T97 PolarHBondContact O-N 2.87Å; K93-T97 PolarHBondContact O-OG1 3.05Å; M94-T97 PolarHBondContact O-N 2.8Å; M94-T97 VanDerWaalsContact O-N 3.08Å; T97-I99 PolarHBondContact O-N 3.21Å; T97-K101 HydrophobicContact CG2-CB 3.66Å; T97-V102 HydrophobicContact CG2-CG2 3.9Å; T97-R105 VanDerWaalsContact CG2-NH1 3.3Å; T97-R105 PolarHBondContact OG1-NH1 2.67Å
98D92.2Very high96.3Very high72 Ų7230.1 Ų30.139%0.38514%0.135SC..  trans-54.3136.6170.1-176-76.9000110.5D100 K101 V102D98-D100 VanDerWaalsContact C-N 3.27Å; D98-D100 PolarHBondContact O-N 3.08Å; D98-D100 WeakPolarHBondContact OD1-CB 3.35Å; D98-D100 PolarHBondContact OD1-N 3.12Å; D98-K101 HydrophobicContact CB-CB 4.33Å; D98-K101 HydrophobicContact CB-CG 4.47Å; D98-K101 CarbonylContact O-C 3.54Å; D98-K101 WeakPolarHBondContact O-CA 3.4Å; D98-K101 WeakPolarHBondContact O-CB 3.16Å; D98-K101 PolarHBondContact O-N 2.86Å; D98-V102 PolarHBondContact O-N 3.33Å
99I90.2Very high96.3Very high14 Ų1435.9 Ų35.97%0.07216%0.16CC..Hα-helixtrans-59-39-171.6-161.9164.8000112.2M1 R3 T97 K101 V102 D103 T308M1-I99 HydrophobicContact CE-CB 4.21Å; M1-I99 HydrophobicContact CE-CD1 3.86Å; M1-I99 HydrophobicContact CE-CG2 4.23Å; R3-I99 VanDerWaalsContact NH2-CD1 3.32Å; T97-I99 PolarHBondContact O-N 3.21Å; I99-K101 PolarHBondContact O-N 2.9Å; I99-V102 WeakPolarHBondContact O-CB 3.29Å; I99-V102 PolarHBondContact O-N 3.25Å; I99-D103 PolarHBondContact O-N 3.36Å; I99-T308 HydrophobicContact CD1-CG2 4.01Å; I99-T308 HydrophobicContact CG1-CG2 3.84Å
100D93.4Very high96.3Very high26 Ų2631.3 Ų31.314%0.13914%0.144CC..Hα-helixtrans-69-31.5-179.2-53.9-42.3000110D98 A104 N135 A139D98-D100 VanDerWaalsContact C-N 3.27Å; D98-D100 PolarHBondContact O-N 3.08Å; D98-D100 WeakPolarHBondContact OD1-CB 3.35Å; D98-D100 PolarHBondContact OD1-N 3.12Å; D100-A104 VanDerWaalsContact O-CB 3.24Å; D100-A104 WeakPolarHBondContact O-CB 3.47Å; D100-A104 PolarHBondContact O-N 2.97Å; D100-N135 HydrophobicContact CB-CB 4.05Å; D100-N135 VanDerWaalsContact CG-CB 3.41Å; D100-N135 WeakPolarHBondContact OD2-CB 3.4Å; D100-A139 VanDerWaalsContact C-CB 3.46Å; D100-A139 HydrophobicContact CB-CB 3.89Å; D100-A139 VanDerWaalsContact O-CB 3.26Å; D100-A139 WeakPolarHBondContact O-CB 3.26Å
101K95Very high96.3Very high59 Ų5927 Ų2726%0.25713%0.128SC..Hα-helixtrans-74.6-26.7171.7-76.6-170.1175.6-165.30113.5T97 D98 I99 R105 A139 S142T97-K101 HydrophobicContact CG2-CB 3.66Å; D98-K101 HydrophobicContact CB-CB 4.33Å; D98-K101 HydrophobicContact CB-CG 4.47Å; D98-K101 CarbonylContact O-C 3.54Å; D98-K101 WeakPolarHBondContact O-CA 3.4Å; D98-K101 WeakPolarHBondContact O-CB 3.16Å; D98-K101 PolarHBondContact O-N 2.86Å; I99-K101 PolarHBondContact O-N 2.9Å; K101-R105 VanDerWaalsContact O-CB 3.27Å; K101-R105 WeakPolarHBondContact O-CB 3.36Å; K101-R105 WeakPolarHBondContact O-CG 3.37Å; K101-R105 PolarHBondContact O-N 3.14Å; K101-A139 HydrophobicContact CG-CB 4Å; K101-S142 VanDerWaalsContact CE-OG 3.26Å; K101-S142 WeakPolarHBondContact CE-OG 3.32Å; K101-S142 PolarHBondContact NZ-OG 3.19Å
102V95.2Very high96.1Very high11 Ų1132.4 Ų32.47%0.06715%0.152CC..Hα-helixtrans-63.5-52.2172.9171.20000109M94 T97 D98 I99 R105 A106 R304M94-V102 HydrophobicContact CE-CG1 4.19Å; M94-V102 HydrophobicContact CG-CB 4.33Å; M94-V102 HydrophobicContact CG-CG1 3.59Å; M94-V102 HydrophobicContact CG-CG2 3.7Å; M94-V102 HydrophobicContact SD-CG1 3.86Å; T97-V102 HydrophobicContact CG2-CG2 3.9Å; D98-V102 PolarHBondContact O-N 3.33Å; I99-V102 WeakPolarHBondContact O-CB 3.29Å; I99-V102 PolarHBondContact O-N 3.25Å; V102-R105 PolarHBondContact O-N 2.84Å; V102-A106 PolarHBondContact O-N 3.17Å; V102-R304 HydrophobicContact CG1-CG 4.38Å
103D96.1Very high95.7Very high13 Ų1335.2 Ų35.27%0.0718%0.182CC..Hα-helixtrans-64.6-46-179.2-69.1-18.2000111.2R3 I99 R105 A106 L107 V124 I136R3-D103 IonicContact NH2-OD2 3.8Å; I99-D103 PolarHBondContact O-N 3.36Å; D103-R105 VanDerWaalsContact C-N 3.31Å; D103-R105 PolarHBondContact O-N 3.18Å; D103-A106 WeakPolarHBondContact O-CB 3.3Å; D103-A106 PolarHBondContact O-N 3.49Å; D103-A106 VanDerWaalsContact O-N 3.11Å; D103-L107 WeakPolarHBondContact O-CG 3.47Å; D103-L107 PolarHBondContact O-N 2.87Å; D103-V124 HydrophobicContact CB-CG1 3.77Å; D103-I136 HydrophobicContact CB-CD1 3.93Å; D103-I136 HydrophobicContact CB-CG1 3.93Å
104A97.7Very high95.1Very high0 Ų035.4 Ų35.40%021%0.211CC..Hα-helixtrans-61.2-35.4176.200000113.6D100 Y108 I136 A139 Y140 V143D100-A104 VanDerWaalsContact O-CB 3.24Å; D100-A104 WeakPolarHBondContact O-CB 3.47Å; D100-A104 PolarHBondContact O-N 2.97Å; A104-Y108 WeakPolarHBondContact O-CB 3.46Å; A104-Y108 PolarHBondContact O-N 2.84Å; A104-I136 HydrophobicContact CB-CG2 4.44Å; A104-A139 HydrophobicContact CB-CB 3.75Å; A104-Y140 HydrophobicContact CB-CD2 4.3Å; A104-V143 HydrophobicContact CB-CG2 3.92Å
105R97.2Very high94.9Very high60 Ų6036.2 Ų36.223%0.22623%0.227CC..Hα-helixtrans-71.4-34.6175.2-78.1175.7177.3159.91.6112.2T97 K101 V102 D103 K109 V143 D146T97-R105 VanDerWaalsContact CG2-NH1 3.3Å; T97-R105 PolarHBondContact OG1-NH1 2.67Å; K101-R105 VanDerWaalsContact O-CB 3.27Å; K101-R105 WeakPolarHBondContact O-CB 3.36Å; K101-R105 WeakPolarHBondContact O-CG 3.37Å; K101-R105 PolarHBondContact O-N 3.14Å; V102-R105 PolarHBondContact O-N 2.84Å; D103-R105 VanDerWaalsContact C-N 3.31Å; D103-R105 PolarHBondContact O-N 3.18Å; R105-K109 VanDerWaalsContact O-CG 3.31Å; R105-K109 WeakPolarHBondContact O-CG 3.46Å; R105-K109 PolarHBondContact O-N 3.08Å; R105-K109 VanDerWaalsContact O-N 3.13Å; R105-V143 HydrophobicContact CG-CB 4.43Å; R105-V143 HydrophobicContact CG-CG1 3.95Å; R105-V143 HydrophobicContact CG-CG2 3.53Å; R105-D146 IonicContact CZ-OD2 3.83Å; R105-D146 IonicContact NH2-OD2 2.76Å; R105-D146 PolarHBondContact NH2-OD2 2.97Å
106A97Very high95Very high15 Ų1537.9 Ų37.912%0.12424%0.237CC..Hα-helixtrans-62.9-50.7173.800000109.8V102 D103 Y108 K109 A110 T120 V124V102-A106 PolarHBondContact O-N 3.17Å; D103-A106 WeakPolarHBondContact O-CB 3.3Å; D103-A106 PolarHBondContact O-N 3.49Å; D103-A106 VanDerWaalsContact O-N 3.11Å; A106-Y108 PolarHBondContact O-N 3.43Å; A106-K109 PolarHBondContact O-N 3.42Å; A106-A110 WeakPolarHBondContact O-CB 3.25Å; A106-A110 PolarHBondContact O-N 3.09Å; A106-T120 HydrophobicContact CB-CG2 3.91Å; A106-V124 HydrophobicContact CB-CG2 4.47Å
107L98.5Very high95Very high0 Ų041 Ų410%025%0.254CS..Hα-helixtrans-59-44.9176.9-67.9169.2000112.9D103 K109 A110 M111 I121 V124 L125 I136 Y140 L156D103-L107 WeakPolarHBondContact O-CG 3.47Å; D103-L107 PolarHBondContact O-N 2.87Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 3.45Å; L107-A110 PolarHBondContact O-N 3.41Å; L107-M111 HydrophobicContact CB-CE 4.14Å; L107-M111 WeakPolarHBondContact O-CE 3.18Å; L107-M111 PolarHBondContact O-N 3.28Å; L107-I121 HydrophobicContact CD2-CB 4.33Å; L107-I121 HydrophobicContact CD2-CG1 4.13Å; L107-I121 HydrophobicContact CD2-CG2 4.35Å; L107-V124 HydrophobicContact CD1-CG1 3.81Å; L107-V124 HydrophobicContact CD2-CB 4.08Å; L107-V124 HydrophobicContact CD2-CG1 4.15Å; L107-V124 HydrophobicContact CG-CB 4.32Å; L107-V124 HydrophobicContact CG-CG1 3.94Å; L107-L125 HydrophobicContact CD1-CD2 3.77Å; L107-L125 HydrophobicContact CD1-CG 4.26Å; L107-L125 HydrophobicContact CD2-CD1 4.12Å; L107-L125 HydrophobicContact CD2-CD2 4.39Å; L107-L125 HydrophobicContact CD2-CG 3.95Å; L107-I136 HydrophobicContact CD1-CG2 3.53Å; L107-Y140 HydrophobicContact CB-CD2 4.28Å; L107-Y140 HydrophobicContact CB-CE2 3.97Å; L107-L156 HydrophobicContact CB-CD1 4.2Å; L107-L156 HydrophobicContact CD1-CD1 3.96Å; L107-L156 HydrophobicContact CD1-CD2 3.94Å
108Y98.2Very high95.1Very high8 Ų843.2 Ų43.23%0.03126%0.264CS..Hα-helixtrans-61.3-41.3178.1171.8-98.2000111.7A104 A106 K112 V143 L144 Y147 I149A104-Y108 WeakPolarHBondContact O-CB 3.46Å; A104-Y108 PolarHBondContact O-N 2.84Å; A106-Y108 PolarHBondContact O-N 3.43Å; Y108-K112 HydrophobicContact CE1-CB 4.4Å; Y108-K112 HydrophobicContact CE1-CD 3.62Å; Y108-K112 HydrophobicContact CE1-CG 4.46Å; Y108-K112 WeakPolarHBondContact O-CB 3.22Å; Y108-K112 PolarHBondContact O-N 3.39Å; Y108-K112 VanDerWaalsContact O-N 3.11Å; Y108-K112 PolarHBondContact OH-NZ 2.97Å; Y108-V143 HydrophobicContact CD1-CG1 4.16Å; Y108-V143 HydrophobicContact CG-CG1 3.9Å; Y108-L144 HydrophobicContact CD2-CD2 3.86Å; Y108-L144 HydrophobicContact CE2-CD2 3.83Å; Y108-Y147 AromaticContact CD1-CD2 3.64Å; Y108-Y147 HydrophobicContact CD1-CD2 3.64Å; Y108-Y147 AromaticContact CD1-CE2 3.43Å; Y108-Y147 HydrophobicContact CD1-CE2 3.43Å; Y108-Y147 VanDerWaalsContact CD1-CE2 3.43Å; Y108-Y147 HydrophobicContact CD1-CG 4.36Å; Y108-Y147 AromaticContact CD1-CZ 3.98Å; Y108-Y147 AromaticContact CE1-CD1 3.84Å; Y108-Y147 HydrophobicContact CE1-CD1 3.84Å; Y108-Y147 AromaticContact CE1-CD2 3.25Å; Y108-Y147 HydrophobicContact CE1-CD2 3.25Å; Y108-Y147 AromaticContact CE1-CE1 3.9Å; Y108-Y147 HydrophobicContact CE1-CE1 3.9Å; Y108-Y147 AromaticContact CE1-CE2 3.34Å; Y108-Y147 HydrophobicContact CE1-CE2 3.34Å; Y108-Y147 AromaticContact CE1-CG 3.52Å; Y108-Y147 HydrophobicContact CE1-CG 3.52Å; Y108-Y147 AromaticContact CE1-CZ 3.66Å; Y108-Y147 HydrophobicContact CG-CD2 4.41Å; Y108-Y147 HydrophobicContact CG-CE2 4.42Å; Y108-Y147 AromaticContact CZ-CD2 3.77Å; Y108-Y147 AromaticContact CZ-CG 3.75Å; Y108-I149 HydrophobicContact CE2-CD1 3.75Å
109K97.1Very high95.3Very high134 Ų13444.5 Ų44.558%0.58327%0.267SS*.Hα-helixtrans-68.6-37.3177-72.9175.9180-178.40112R105 A106 L107 M111 K112R105-K109 VanDerWaalsContact O-CG 3.31Å; R105-K109 WeakPolarHBondContact O-CG 3.46Å; R105-K109 PolarHBondContact O-N 3.08Å; R105-K109 VanDerWaalsContact O-N 3.13Å; A106-K109 PolarHBondContact O-N 3.42Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 3.45Å; K109-M111 PolarHBondContact O-N 2.89Å; K109-K112 PolarHBondContact O-N 3.04Å
110A97.7Very high95.7Very high5 Ų544.3 Ų44.34%0.04127%0.267CS..Hα-helixtrans-63.3-29.4179.700000113.3A106 L107 T116 D117 T120 I121A106-A110 WeakPolarHBondContact O-CB 3.25Å; A106-A110 PolarHBondContact O-N 3.09Å; L107-A110 PolarHBondContact O-N 3.41Å; A110-T116 CarbonylContact O-C 3.41Å; A110-T116 WeakPolarHBondContact O-CA 3.33Å; A110-D117 HydrophobicContact CB-CB 3.87Å; A110-D117 PolarHBondContact O-N 3.42Å; A110-T120 HydrophobicContact CB-CG2 3.89Å; A110-I121 HydrophobicContact CB-CD1 4.37Å; A110-I121 HydrophobicContact CB-CG1 3.9Å
111M98Very high95.9Very high6 Ų643 Ų433%0.0326%0.26CS..THydrogen-bonded Turntrans-105.45.9177.4-61.1175.3-74.900112.8L107 K109 I121 Y140 L156 D159 V160 D163L107-M111 HydrophobicContact CB-CE 4.14Å; L107-M111 WeakPolarHBondContact O-CE 3.18Å; L107-M111 PolarHBondContact O-N 3.28Å; K109-M111 PolarHBondContact O-N 2.89Å; M111-I121 HydrophobicContact CG-CD1 3.63Å; M111-I121 HydrophobicContact CG-CG1 4.41Å; M111-I121 HydrophobicContact SD-CD1 4.2Å; M111-Y140 HydrophobicContact CE-CE2 3.93Å; M111-Y140 WeakPolarHBondContact CE-OH 3.2Å; M111-L156 HydrophobicContact CE-CD1 3.66Å; M111-D159 HydrophobicContact CE-CB 4.08Å; M111-D159 HydrophobicContact SD-CB 3.92Å; M111-V160 HydrophobicContact CE-CG2 4.29Å; M111-V160 HydrophobicContact SD-CB 4.44Å; M111-V160 HydrophobicContact SD-CG2 3.72Å; M111-D163 HydrophobicContact CB-CB 4.15Å; M111-D163 HydrophobicContact CG-CB 3.99Å; M111-D163 HydrophobicContact SD-CB 4.44Å
112K95Very high96.1Very high113 Ų11340.7 Ų40.749%0.49125%0.25SS..SBendtrans-99.1107.5178.9-178.3-167.7-173.7163.50110Y108 K109Y108-K112 HydrophobicContact CE1-CB 4.4Å; Y108-K112 HydrophobicContact CE1-CD 3.62Å; Y108-K112 HydrophobicContact CE1-CG 4.46Å; Y108-K112 WeakPolarHBondContact O-CB 3.22Å; Y108-K112 PolarHBondContact O-N 3.39Å; Y108-K112 VanDerWaalsContact O-N 3.11Å; Y108-K112 PolarHBondContact OH-NZ 2.97Å; K109-K112 PolarHBondContact O-N 3.04Å
113G89Confident96.2Very high62 Ų6240.6 Ų40.664%0.63925%0.249SC*.SBendtrans140.8-154.7165.200000113.2G115G113-G115 VanDerWaalsContact C-N 3.26Å; G113-G115 PolarHBondContact O-N 3.4Å
114G84.3Confident96.3Very high101 Ų10140.2 Ų40.2100%1.04125%0.247SC*.SBendtrans-90.239.4179.900000113.6
115G93.9Very high96.3Very high48 Ų4840.2 Ų40.250%0.49525%0.247SC..SBendtrans168.4169.7-176.900000110.2G113G113-G115 VanDerWaalsContact C-N 3.26Å; G113-G115 PolarHBondContact O-N 3.4Å
116T97.1Very high96.4Very high35 Ų3537.7 Ų37.722%0.21524%0.239CC..  trans-116.2145.7-179.8-510000109A110 E118 I121 D163 L164A110-T116 CarbonylContact O-C 3.41Å; A110-T116 WeakPolarHBondContact O-CA 3.33Å; T116-E118 HydrophobicContact CG2-CG 4.26Å; T116-I121 HydrophobicContact CG2-CD1 3.52Å; T116-D163 HydrophobicContact CG2-CB 4.28Å; T116-D163 PolarHBondContact OG1-O 2.94Å; T116-D163 VanDerWaalsContact OG1-O 3.12Å; T116-L164 HydrophobicContact CG2-CD2 3.78Å
117D97Very high96.4Very high67 Ų6737.3 Ų37.336%0.35824%0.235SC..  trans-103.782.7168.1174.50.9000107.8A110 E119 T120 I121A110-D117 HydrophobicContact CB-CB 3.87Å; A110-D117 PolarHBondContact O-N 3.42Å; D117-E119 PolarHBondContact O-N 3.5Å; D117-E119 PolarHBondContact OD1-N 2.8Å; D117-T120 VanDerWaalsContact CG-OG1 3.32Å; D117-T120 PolarHBondContact O-N 3.2Å; D117-T120 PolarHBondContact OD1-N 3.32Å; D117-T120 PolarHBondContact OD1-OG1 3.43Å; D117-T120 VanDerWaalsContact OD2-CB 3.31Å; D117-T120 WeakPolarHBondContact OD2-CB 3.35Å; D117-T120 PolarHBondContact OD2-OG1 3.33Å; D117-I121 WeakPolarHBondContact O-CG1 3.3Å; D117-I121 PolarHBondContact O-N 3.4Å
118E97.7Very high96.3Very high58 Ų5838.1 Ų38.127%0.27124%0.242SC..Hα-helixtrans-60-33.4-179.5-6783.9174.900111.4T116 I121 I122 L164 L168 D265T116-E118 HydrophobicContact CG2-CG 4.26Å; E118-I121 PolarHBondContact O-N 2.87Å; E118-I122 HydrophobicContact CB-CD1 4.49Å; E118-I122 WeakPolarHBondContact O-CB 3.37Å; E118-I122 WeakPolarHBondContact O-CG1 3.48Å; E118-I122 PolarHBondContact O-N 3.21Å; E118-L164 HydrophobicContact CG-CD2 3.96Å; E118-L168 HydrophobicContact CB-CD2 4.3Å; E118-L168 HydrophobicContact CG-CD2 3.92Å; E118-D265 HydrophobicContact CB-CB 4.42Å
119E96.4Very high96.1Very high100 Ų10038.5 Ų38.547%0.46725%0.245SC..Hα-helixtrans-63.5-45.3-179.6-58.9-160.2158.800112D117 I121 I122 E123 K290D117-E119 PolarHBondContact O-N 3.5Å; D117-E119 PolarHBondContact OD1-N 2.8Å; E119-I121 VanDerWaalsContact C-N 3.33Å; E119-I121 PolarHBondContact O-N 3.41Å; E119-I122 PolarHBondContact O-N 3.39Å; E119-E123 WeakPolarHBondContact O-CB 3.46Å; E119-E123 PolarHBondContact O-N 3.26Å; E119-K290 VanDerWaalsContact OE1-CE 3.31Å; E119-K290 WeakPolarHBondContact OE1-CE 3.32Å; E119-K290 IonicContact OE1-NZ 3.92Å; E119-K290 PolarHBondContact OE1-NZ 3.49Å; E119-K290 VanDerWaalsContact OE2-CE 3.3Å; E119-K290 WeakPolarHBondContact OE2-CE 3.25Å; E119-K290 IonicContact OE2-NZ 2.65Å; E119-K290 PolarHBondContact OE2-NZ 2.74Å; E119-K290 VanDerWaalsContact OE2-NZ 3.16Å
120T97.5Very high96.1Very high9 Ų933.2 Ų33.26%0.05522%0.223CC..Hα-helixtrans-63.5-40174.9-71.90000111.5A106 A110 D117 V124A106-T120 HydrophobicContact CB-CG2 3.91Å; A110-T120 HydrophobicContact CB-CG2 3.89Å; D117-T120 VanDerWaalsContact CG-OG1 3.32Å; D117-T120 PolarHBondContact O-N 3.2Å; D117-T120 PolarHBondContact OD1-N 3.32Å; D117-T120 PolarHBondContact OD1-OG1 3.43Å; D117-T120 VanDerWaalsContact OD2-CB 3.31Å; D117-T120 WeakPolarHBondContact OD2-CB 3.35Å; D117-T120 PolarHBondContact OD2-OG1 3.33Å; T120-V124 HydrophobicContact CG2-CG2 4.48Å; T120-V124 WeakPolarHBondContact O-CG2 3.42Å; T120-V124 PolarHBondContact O-N 3.32Å; T120-V124 VanDerWaalsContact O-N 3.15Å
121I98.5Very high96Very high0 Ų036.7 Ų36.70%024%0.24CC..Hα-helixtrans-64-45.4178.3-63.8167000110.4L107 A110 M111 T116 D117 E118 E119 L125 L164 V172L107-I121 HydrophobicContact CD2-CB 4.33Å; L107-I121 HydrophobicContact CD2-CG1 4.13Å; L107-I121 HydrophobicContact CD2-CG2 4.35Å; A110-I121 HydrophobicContact CB-CD1 4.37Å; A110-I121 HydrophobicContact CB-CG1 3.9Å; M111-I121 HydrophobicContact CG-CD1 3.63Å; M111-I121 HydrophobicContact CG-CG1 4.41Å; M111-I121 HydrophobicContact SD-CD1 4.2Å; T116-I121 HydrophobicContact CG2-CD1 3.52Å; D117-I121 WeakPolarHBondContact O-CG1 3.3Å; D117-I121 PolarHBondContact O-N 3.4Å; E118-I121 PolarHBondContact O-N 2.87Å; E119-I121 VanDerWaalsContact C-N 3.33Å; E119-I121 PolarHBondContact O-N 3.41Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 PolarHBondContact O-N 3.38Å; I121-L164 HydrophobicContact CD1-CD2 3.94Å; I121-L164 HydrophobicContact CD1-CG 4.48Å; I121-L164 HydrophobicContact CG2-CD1 4.16Å; I121-V172 HydrophobicContact CG2-CG1 4.34Å; I121-V172 HydrophobicContact CG2-CG2 4.48Å
122I98.6Very high95.9Very high10 Ų1036.7 Ų36.75%0.05124%0.24CC..Hα-helixtrans-61.8-50.9178.6-73.3168.5000110.4E118 E119 V124 C126 L168 D265 A269 L272E118-I122 HydrophobicContact CB-CD1 4.49Å; E118-I122 WeakPolarHBondContact O-CB 3.37Å; E118-I122 WeakPolarHBondContact O-CG1 3.48Å; E118-I122 PolarHBondContact O-N 3.21Å; E119-I122 PolarHBondContact O-N 3.39Å; I122-V124 PolarHBondContact O-N 2.94Å; I122-C126 WeakPolarHBondContact O-CB 3.34Å; I122-C126 PolarHBondContact O-N 3.42Å; I122-C126 PolarHBondContact O-SG 3.48Å; I122-C126 VanDerWaalsContact O-SG 3.37Å; I122-L168 HydrophobicContact CD1-CD1 4.05Å; I122-L168 HydrophobicContact CG1-CD1 4.04Å; I122-D265 HydrophobicContact CD1-CB 4Å; I122-D265 WeakPolarHBondContact CD1-O 3.32Å; I122-A269 HydrophobicContact CD1-CB 4.11Å; I122-A269 HydrophobicContact CG1-CB 3.91Å; I122-A269 HydrophobicContact CG2-CB 4.34Å; I122-L272 HydrophobicContact CG2-CB 4.36Å; I122-L272 HydrophobicContact CG2-CD2 3.65Å
123E97.8Very high96Very high9 Ų931.5 Ų31.54%0.04222%0.217CC..Hα-helixtrans-55.8-49.5-179.8-177.2-127.597.900112.2E119 T127 L287 T301 R304E119-E123 WeakPolarHBondContact O-CB 3.46Å; E119-E123 PolarHBondContact O-N 3.26Å; E123-T127 VanDerWaalsContact O-CG2 3.27Å; E123-T127 WeakPolarHBondContact O-CG2 3.28Å; E123-T127 PolarHBondContact O-OG1 3.24Å; E123-L287 HydrophobicContact CB-CD2 4.49Å; E123-L287 HydrophobicContact CG-CD1 3.82Å; E123-L287 HydrophobicContact CG-CD2 4.23Å; E123-T301 WeakPolarHBondContact OE2-CG2 3.31Å; E123-R304 VanDerWaalsContact CD-NE 3.31Å; E123-R304 IonicContact OE1-CZ 2.65Å; E123-R304 IonicContact OE1-NE 3.06Å; E123-R304 PolarHBondContact OE1-NE 3.1Å; E123-R304 IonicContact OE1-NH2 2.75Å; E123-R304 IonicContact OE2-CZ 3.8Å; E123-R304 IonicContact OE2-NE 2.83Å; E123-R304 PolarHBondContact OE2-NE 2.96Å; E123-R304 IonicContact OE2-NH2 3.23Å; E123-R304 PolarHBondContact OE2-NH2 3.38Å
124V97.8Very high96.4Very high4 Ų431.8 Ų31.82%0.02420%0.202CC..Hα-helixtrans-71.8-49.5-174.1173.80000111.2D103 A106 L107 T120 I122 I136D103-V124 HydrophobicContact CB-CG1 3.77Å; A106-V124 HydrophobicContact CB-CG2 4.47Å; L107-V124 HydrophobicContact CD1-CG1 3.81Å; L107-V124 HydrophobicContact CD2-CB 4.08Å; L107-V124 HydrophobicContact CD2-CG1 4.15Å; L107-V124 HydrophobicContact CG-CB 4.32Å; L107-V124 HydrophobicContact CG-CG1 3.94Å; T120-V124 HydrophobicContact CG2-CG2 4.48Å; T120-V124 WeakPolarHBondContact O-CG2 3.42Å; T120-V124 PolarHBondContact O-N 3.32Å; T120-V124 VanDerWaalsContact O-N 3.15Å; I122-V124 PolarHBondContact O-N 2.94Å; V124-I136 HydrophobicContact CG1-CD1 4.19Å
125L98.4Very high97Very high1 Ų128.9 Ų28.91%0.00516%0.163CC..Hα-helixtrans-83.7-33.5-171.2-62.1180000113L107 I121 T127 A128 I133 L156 V160 V172 L176L107-L125 HydrophobicContact CD1-CD2 3.77Å; L107-L125 HydrophobicContact CD1-CG 4.26Å; L107-L125 HydrophobicContact CD2-CD1 4.12Å; L107-L125 HydrophobicContact CD2-CD2 4.39Å; L107-L125 HydrophobicContact CD2-CG 3.95Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 PolarHBondContact O-N 3.38Å; L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 2.9Å; L125-A128 PolarHBondContact O-N 3.34Å; L125-I133 HydrophobicContact CB-CD1 4.48Å; L125-I133 HydrophobicContact CD2-CD1 3.65Å; L125-L156 HydrophobicContact CD2-CD2 4.33Å; L125-V160 HydrophobicContact CD1-CG2 4.49Å; L125-V172 HydrophobicContact CD1-CG1 3.39Å; L125-L176 HydrophobicContact CD1-CD2 4.18Å; L125-L176 HydrophobicContact CD2-CD2 4.1Å
126C98.2Very high97.2Very high7 Ų726.7 Ų26.75%0.04714%0.14CC..Hα-helixtrans-77.5-11.6-177.9-61.30000113.5I122 L272 I273I122-C126 WeakPolarHBondContact O-CB 3.34Å; I122-C126 PolarHBondContact O-N 3.42Å; I122-C126 PolarHBondContact O-SG 3.48Å; I122-C126 VanDerWaalsContact O-SG 3.37Å; C126-L272 HydrophobicContact CB-CB 4.25Å; C126-L272 HydrophobicContact CB-CD2 3.98Å; C126-L272 HydrophobicContact CB-CG 4.05Å; C126-I273 HydrophobicContact CB-CG1 3.63Å
127T96.9Very high97.2Very high6 Ų627.1 Ų27.14%0.03714%0.139CC..Hα-helixtrans-101.6-13176.564.90000113.7E123 L125 L272 R280 Y284 L287E123-T127 VanDerWaalsContact O-CG2 3.27Å; E123-T127 WeakPolarHBondContact O-CG2 3.28Å; E123-T127 PolarHBondContact O-OG1 3.24Å; L125-T127 VanDerWaalsContact C-N 3.26Å; L125-T127 PolarHBondContact O-N 2.9Å; T127-L272 HydrophobicContact CG2-CD1 4.08Å; T127-L272 HydrophobicContact CG2-CD2 4.05Å; T127-L272 HydrophobicContact CG2-CG 4.07Å; T127-R280 PolarHBondContact O-NH1 3.24Å; T127-R280 PolarHBondContact O-NH2 2.84Å; T127-R280 VanDerWaalsContact O-NH2 3.16Å; T127-Y284 WeakPolarHBondContact CB-OH 3.34Å; T127-Y284 HydrophobicContact CG2-CE1 4.41Å; T127-Y284 PolarHBondContact OG1-OH 2.91Å; T127-Y284 VanDerWaalsContact OG1-OH 3.09Å; T127-L287 HydrophobicContact CG2-CD1 4.21Å
128A96.2Very high97.2Very high18 Ų1829.8 Ų29.815%0.14915%0.149CC..  trans-78.6147.4-173.400000113.7L125 E132 I133 I136L125-A128 PolarHBondContact O-N 3.34Å; A128-E132 WeakPolarHBondContact CA-OE2 3.39Å; A128-E132 HydrophobicContact CB-CB 4.05Å; A128-I133 HydrophobicContact CB-CD1 3.64Å; A128-I133 HydrophobicContact CB-CG1 3.84Å; A128-I136 HydrophobicContact CB-CD1 4.44Å
129T95.4Very high97.2Very high16 Ų1627.4 Ų27.410%0.09814%0.139CC..  trans-86.9171.6168.857.50000112.1D4 Q7 I131 E132 I133D4-T129 HydrophobicContact CB-CG2 4.11Å; Q7-T129 HydrophobicContact CG-CG2 3.88Å; T129-I131 VanDerWaalsContact C-N 3.32Å; T129-I131 PolarHBondContact O-N 3.25Å; T129-E132 PolarHBondContact N-OE2 2.7Å; T129-E132 PolarHBondContact O-N 3.49Å; T129-E132 VanDerWaalsContact O-N 3.11Å; T129-E132 WeakPolarHBondContact OG1-CG 3.12Å; T129-E132 PolarHBondContact OG1-OE2 3.25Å; T129-I133 WeakPolarHBondContact O-CG1 3.46Å; T129-I133 PolarHBondContact O-N 3.41Å
130N96.5Very high97.3Very high23 Ų2322.7 Ų22.712%0.12312%0.117CC..Hα-helixtrans-56.2-45.5-179.1-67.7-27.9000112.2E132 I133 E134 A178 K179 R180 E182N130-E132 VanDerWaalsContact C-N 3.33Å; N130-E132 PolarHBondContact O-N 2.85Å; N130-I133 PolarHBondContact O-N 3.47Å; N130-E134 PolarHBondContact O-N 3.01Å; N130-A178 HydrophobicContact CB-CB 4.13Å; N130-A178 VanDerWaalsContact CG-O 3.3Å; N130-A178 WeakPolarHBondContact OD1-CA 3.45Å; N130-A178 PolarHBondContact OD1-O 2.67Å; N130-K179 PolarHBondContact OD1-N 2.82Å; N130-R180 PolarHBondContact ND2-N 2.91Å; N130-R180 PolarHBondContact ND2-O 2.78Å; N130-R180 WeakPolarHBondContact OD1-CB 3.42Å; N130-R180 PolarHBondContact OD1-N 3.12Å; N130-E182 WeakPolarHBondContact CB-OE1 3.45Å; N130-E182 VanDerWaalsContact ND2-CD 3.31Å; N130-E182 PolarHBondContact ND2-OE1 3.36Å
131I95.2Very high97.3Very high78 Ų7824.8 Ų24.840%0.413%0.128SC..Hα-helixtrans-64.6-37.9178.7-172.559.7000112.1D4 T129 E134 N135D4-I131 HydrophobicContact CB-CG2 3.9Å; T129-I131 VanDerWaalsContact C-N 3.32Å; T129-I131 PolarHBondContact O-N 3.25Å; I131-E134 PolarHBondContact O-N 3.36Å; I131-N135 WeakPolarHBondContact O-CB 3.42Å; I131-N135 PolarHBondContact O-N 3.37Å; I131-N135 PolarHBondContact O-ND2 3.5Å; I131-N135 PolarHBondContact O-OD1 2.79Å
132E95.7Very high97.2Very high5 Ų525.5 Ų25.52%0.02313%0.133CC..Hα-helixtrans-67.9-43.6176.8-68.6173.9155.900110.8R3 Q7 A128 T129 N130 E134 N135 I136R3-E132 WeakPolarHBondContact CD-OE1 3.28Å; R3-E132 VanDerWaalsContact CG-OE1 3.25Å; R3-E132 WeakPolarHBondContact CG-OE1 3.39Å; R3-E132 IonicContact CZ-OE1 3.49Å; R3-E132 IonicContact NE-OE1 2.75Å; R3-E132 IonicContact NH1-OE1 3.66Å; R3-E132 PolarHBondContact NH1-OE1 3.19Å; R3-E132 IonicContact NH1-OE2 3.48Å; Q7-E132 PolarHBondContact NE2-OE1 3.26Å; Q7-E132 PolarHBondContact NE2-OE2 3Å; A128-E132 WeakPolarHBondContact CA-OE2 3.39Å; A128-E132 HydrophobicContact CB-CB 4.05Å; T129-E132 PolarHBondContact N-OE2 2.7Å; T129-E132 PolarHBondContact O-N 3.49Å; T129-E132 VanDerWaalsContact O-N 3.11Å; T129-E132 WeakPolarHBondContact OG1-CG 3.12Å; T129-E132 PolarHBondContact OG1-OE2 3.25Å; N130-E132 VanDerWaalsContact C-N 3.33Å; N130-E132 PolarHBondContact O-N 2.85Å; E132-E134 VanDerWaalsContact C-N 3.33Å; E132-E134 PolarHBondContact O-N 3.35Å; E132-N135 PolarHBondContact O-N 2.94Å; E132-I136 WeakPolarHBondContact O-CB 3.5Å; E132-I136 WeakPolarHBondContact O-CD1 3.26Å; E132-I136 WeakPolarHBondContact O-CG1 3.33Å; E132-I136 PolarHBondContact O-N 2.93Å
133I97.7Very high97.2Very high4 Ų425 Ų252%0.02113%0.131CC..Hα-helixtrans-57.3-46.1174.5-69.1-67000111L125 A128 T129 N130 I136 K137 L176 A178L125-I133 HydrophobicContact CB-CD1 4.48Å; L125-I133 HydrophobicContact CD2-CD1 3.65Å; A128-I133 HydrophobicContact CB-CD1 3.64Å; A128-I133 HydrophobicContact CB-CG1 3.84Å; T129-I133 WeakPolarHBondContact O-CG1 3.46Å; T129-I133 PolarHBondContact O-N 3.41Å; N130-I133 PolarHBondContact O-N 3.47Å; I133-I136 PolarHBondContact O-N 2.73Å; I133-K137 HydrophobicContact CG2-CD 3.86Å; I133-K137 VanDerWaalsContact O-CG 3.29Å; I133-K137 WeakPolarHBondContact O-CG 3.4Å; I133-K137 PolarHBondContact O-N 2.77Å; I133-L176 HydrophobicContact CG2-CD2 4.19Å; I133-A178 HydrophobicContact CB-CB 4.19Å; I133-A178 HydrophobicContact CG2-CB 3.89Å
134E97.8Very high97.2Very high69 Ų6924.8 Ų24.832%0.32213%0.13SC..Hα-helixtrans-65.3-41.3178.5-75.1-57.7158.500112.3N130 I131 E132 K137 Q138 A178N130-E134 PolarHBondContact O-N 3.01Å; I131-E134 PolarHBondContact O-N 3.36Å; E132-E134 VanDerWaalsContact C-N 3.33Å; E132-E134 PolarHBondContact O-N 3.35Å; E134-K137 PolarHBondContact O-N 3.45Å; E134-K137 IonicContact OE1-NZ 2.65Å; E134-K137 PolarHBondContact OE1-NZ 2.69Å; E134-K137 IonicContact OE2-NZ 2.74Å; E134-Q138 WeakPolarHBondContact O-CG 3.21Å; E134-Q138 PolarHBondContact O-N 3.37Å; E134-Q138 VanDerWaalsContact O-N 3.11Å; E134-A178 HydrophobicContact CG-CB 3.75Å; E134-A178 WeakPolarHBondContact OE1-CB 3.27Å
135N96.5Very high97.2Very high40 Ų4032 Ų3221%0.21416%0.156CC..Hα-helixtrans-63.7-42.7175.4-64.2-20.8000111.7D100 I131 E132 K137 Q138 A139D100-N135 HydrophobicContact CB-CB 4.05Å; D100-N135 VanDerWaalsContact CG-CB 3.41Å; D100-N135 WeakPolarHBondContact OD2-CB 3.4Å; I131-N135 WeakPolarHBondContact O-CB 3.42Å; I131-N135 PolarHBondContact O-N 3.37Å; I131-N135 PolarHBondContact O-ND2 3.5Å; I131-N135 PolarHBondContact O-OD1 2.79Å; E132-N135 PolarHBondContact O-N 2.94Å; N135-K137 PolarHBondContact O-N 2.99Å; N135-Q138 PolarHBondContact O-N 2.84Å; N135-A139 WeakPolarHBondContact O-CB 3.46Å; N135-A139 PolarHBondContact O-N 3.42Å
136I97.6Very high97Very high2 Ų235.9 Ų35.91%0.0118%0.177CC..Hα-helixtrans-61.1-43.4176.3-70.1165.4000110.4D103 A104 L107 V124 A128 E132 I133 Q138 A139 Y140 L156D103-I136 HydrophobicContact CB-CD1 3.93Å; D103-I136 HydrophobicContact CB-CG1 3.93Å; A104-I136 HydrophobicContact CB-CG2 4.44Å; L107-I136 HydrophobicContact CD1-CG2 3.53Å; V124-I136 HydrophobicContact CG1-CD1 4.19Å; A128-I136 HydrophobicContact CB-CD1 4.44Å; E132-I136 WeakPolarHBondContact O-CB 3.5Å; E132-I136 WeakPolarHBondContact O-CD1 3.26Å; E132-I136 WeakPolarHBondContact O-CG1 3.33Å; E132-I136 PolarHBondContact O-N 2.93Å; I133-I136 PolarHBondContact O-N 2.73Å; I136-Q138 VanDerWaalsContact C-N 3.34Å; I136-Q138 PolarHBondContact O-N 3.04Å; I136-A139 PolarHBondContact O-N 3.4Å; I136-Y140 WeakPolarHBondContact O-CB 3.24Å; I136-Y140 PolarHBondContact O-N 3.16Å; I136-L156 HydrophobicContact CG2-CD2 3.81Å
137K98.2Very high96.9Very high44 Ų4440 Ų4019%0.19119%0.192CC..Hα-helixtrans-58.1-44.8176-74.4162.768.6-177.20111.4I133 E134 N135 Y140 L141 L156 L176I133-K137 HydrophobicContact CG2-CD 3.86Å; I133-K137 VanDerWaalsContact O-CG 3.29Å; I133-K137 WeakPolarHBondContact O-CG 3.4Å; I133-K137 PolarHBondContact O-N 2.77Å; E134-K137 PolarHBondContact O-N 3.45Å; E134-K137 IonicContact OE1-NZ 2.65Å; E134-K137 PolarHBondContact OE1-NZ 2.69Å; E134-K137 IonicContact OE2-NZ 2.74Å; N135-K137 PolarHBondContact O-N 2.99Å; K137-Y140 WeakPolarHBondContact O-CB 3.49Å; K137-Y140 PolarHBondContact O-N 3.29Å; K137-L141 PolarHBondContact O-N 3.37Å; K137-L156 HydrophobicContact CG-CB 4.48Å; K137-L156 HydrophobicContact CG-CD2 4.08Å; K137-L176 PolarHBondContact NZ-O 2.91Å
138Q97.3Very high96.9Very high122 Ų12242.9 Ų42.957%0.5722%0.223SC*.Hα-helixtrans-67-42.1176.3-63.8-52.5-44.100112.4E134 N135 I136 Y140 L141 S142E134-Q138 WeakPolarHBondContact O-CG 3.21Å; E134-Q138 PolarHBondContact O-N 3.37Å; E134-Q138 VanDerWaalsContact O-N 3.11Å; N135-Q138 PolarHBondContact O-N 2.84Å; I136-Q138 VanDerWaalsContact C-N 3.34Å; I136-Q138 PolarHBondContact O-N 3.04Å; Q138-Y140 VanDerWaalsContact C-N 3.29Å; Q138-Y140 PolarHBondContact O-N 3.45Å; Q138-L141 PolarHBondContact O-N 3.48Å; Q138-S142 PolarHBondContact O-N 2.92Å
139A97.2Very high97Very high9 Ų943.7 Ų43.77%0.07422%0.224CC..Hα-helixtrans-62.8-37.2176.300000111.5D100 K101 A104 N135 I136 L141 S142 V143D100-A139 VanDerWaalsContact C-CB 3.46Å; D100-A139 HydrophobicContact CB-CB 3.89Å; D100-A139 VanDerWaalsContact O-CB 3.26Å; D100-A139 WeakPolarHBondContact O-CB 3.26Å; K101-A139 HydrophobicContact CG-CB 4Å; A104-A139 HydrophobicContact CB-CB 3.75Å; N135-A139 WeakPolarHBondContact O-CB 3.46Å; N135-A139 PolarHBondContact O-N 3.42Å; I136-A139 PolarHBondContact O-N 3.4Å; A139-L141 PolarHBondContact O-N 2.97Å; A139-S142 CarbonylContact O-C 3.21Å; A139-S142 WeakPolarHBondContact O-CA 3.31Å; A139-S142 VanDerWaalsContact O-CB 3.28Å; A139-S142 WeakPolarHBondContact O-CB 3.26Å; A139-S142 PolarHBondContact O-N 3.36Å; A139-V143 WeakPolarHBondContact O-CG2 3.42Å; A139-V143 PolarHBondContact O-N 2.99Å
140Y98.3Very high96.8Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-60.4-42.2176.7-161.3-86.1000112.1A104 L107 M111 I136 K137 Q138 S142 V143 L144 L156 D159A104-Y140 HydrophobicContact CB-CD2 4.3Å; L107-Y140 HydrophobicContact CB-CD2 4.28Å; L107-Y140 HydrophobicContact CB-CE2 3.97Å; M111-Y140 HydrophobicContact CE-CE2 3.93Å; M111-Y140 WeakPolarHBondContact CE-OH 3.2Å; I136-Y140 WeakPolarHBondContact O-CB 3.24Å; I136-Y140 PolarHBondContact O-N 3.16Å; K137-Y140 WeakPolarHBondContact O-CB 3.49Å; K137-Y140 PolarHBondContact O-N 3.29Å; Q138-Y140 VanDerWaalsContact C-N 3.29Å; Q138-Y140 PolarHBondContact O-N 3.45Å; Y140-S142 VanDerWaalsContact C-N 3.25Å; Y140-S142 PolarHBondContact O-N 3.37Å; Y140-V143 WeakPolarHBondContact O-CA 3.42Å; Y140-V143 WeakPolarHBondContact O-CB 3.39Å; Y140-V143 PolarHBondContact O-N 3.01Å; Y140-L144 HydrophobicContact CD1-CD1 3.87Å; Y140-L144 HydrophobicContact CD1-CD2 4.44Å; Y140-L144 HydrophobicContact CD1-CG 3.89Å; Y140-L144 HydrophobicContact CE1-CD1 3.87Å; Y140-L144 HydrophobicContact CE1-CD2 3.85Å; Y140-L144 HydrophobicContact CE1-CG 3.79Å; Y140-L144 WeakPolarHBondContact O-CG 3.36Å; Y140-L144 PolarHBondContact O-N 3.2Å; Y140-L156 HydrophobicContact CD1-CB 3.99Å; Y140-L156 HydrophobicContact CD2-CB 4.09Å; Y140-L156 HydrophobicContact CD2-CD1 3.84Å; Y140-L156 HydrophobicContact CD2-CG 4.41Å; Y140-L156 HydrophobicContact CE1-CB 4.45Å; Y140-L156 HydrophobicContact CE2-CD1 3.77Å; Y140-L156 HydrophobicContact CG-CB 3.8Å; Y140-L156 HydrophobicContact CG-CD1 4.43Å; Y140-D159 PolarHBondContact OH-OD2 2.86Å
141L97.9Very high96.8Very high53 Ų5351 Ų5128%0.27727%0.272SS..Hα-helixtrans-60.5-36.9172.8-60.4177.9000111.8K137 Q138 A139 L144 R145 T155K137-L141 PolarHBondContact O-N 3.37Å; Q138-L141 PolarHBondContact O-N 3.48Å; A139-L141 PolarHBondContact O-N 2.97Å; L141-L144 HydrophobicContact CD2-CD1 4.49Å; L141-R145 WeakPolarHBondContact O-CG 3.27Å; L141-R145 PolarHBondContact O-N 3.45Å; L141-R145 PolarHBondContact O-NH1 3.31Å; L141-T155 HydrophobicContact CD2-CG2 4.25Å
142S96.7Very high96.6Very high16 Ų1653.2 Ų53.211%0.11229%0.291CS..Hα-helixtrans-67.2-39.1172.2-172.40000112.2K101 Q138 A139 Y140 R145 D146K101-S142 VanDerWaalsContact CE-OG 3.26Å; K101-S142 WeakPolarHBondContact CE-OG 3.32Å; K101-S142 PolarHBondContact NZ-OG 3.19Å; Q138-S142 PolarHBondContact O-N 2.92Å; A139-S142 CarbonylContact O-C 3.21Å; A139-S142 WeakPolarHBondContact O-CA 3.31Å; A139-S142 VanDerWaalsContact O-CB 3.28Å; A139-S142 WeakPolarHBondContact O-CB 3.26Å; A139-S142 PolarHBondContact O-N 3.36Å; Y140-S142 VanDerWaalsContact C-N 3.25Å; Y140-S142 PolarHBondContact O-N 3.37Å; S142-R145 PolarHBondContact O-N 3.49Å; S142-D146 PolarHBondContact O-N 2.88Å
143V97.7Very high96.6Very high0 Ų056.8 Ų56.80%032%0.316CS..Hα-helixtrans-64.9-43178.2172.50000110.8A104 R105 Y108 A139 Y140 R145 D146 Y147A104-V143 HydrophobicContact CB-CG2 3.92Å; R105-V143 HydrophobicContact CG-CB 4.43Å; R105-V143 HydrophobicContact CG-CG1 3.95Å; R105-V143 HydrophobicContact CG-CG2 3.53Å; Y108-V143 HydrophobicContact CD1-CG1 4.16Å; Y108-V143 HydrophobicContact CG-CG1 3.9Å; A139-V143 WeakPolarHBondContact O-CG2 3.42Å; A139-V143 PolarHBondContact O-N 2.99Å; Y140-V143 WeakPolarHBondContact O-CA 3.42Å; Y140-V143 WeakPolarHBondContact O-CB 3.39Å; Y140-V143 PolarHBondContact O-N 3.01Å; V143-R145 VanDerWaalsContact C-N 3.28Å; V143-R145 PolarHBondContact O-N 2.83Å; V143-D146 WeakPolarHBondContact O-CB 3.06Å; V143-D146 PolarHBondContact O-N 3.46Å; V143-D146 VanDerWaalsContact O-N 3.1Å; V143-Y147 HydrophobicContact CG1-CD2 3.84Å; V143-Y147 HydrophobicContact CG1-CE2 3.83Å; V143-Y147 VanDerWaalsContact O-CD2 3.29Å; V143-Y147 WeakPolarHBondContact O-CD2 3.45Å; V143-Y147 PolarHBondContact O-N 3.36Å
144L98Very high96.6Very high4 Ų459.6 Ų59.62%0.02133%0.327CS..Hα-helixtrans-55.3-45.2174.2-70.6177.3000111.4Y108 Y140 L141 Y147 G148 I149 R154Y108-L144 HydrophobicContact CD2-CD2 3.86Å; Y108-L144 HydrophobicContact CE2-CD2 3.83Å; Y140-L144 HydrophobicContact CD1-CD1 3.87Å; Y140-L144 HydrophobicContact CD1-CD2 4.44Å; Y140-L144 HydrophobicContact CD1-CG 3.89Å; Y140-L144 HydrophobicContact CE1-CD1 3.87Å; Y140-L144 HydrophobicContact CE1-CD2 3.85Å; Y140-L144 HydrophobicContact CE1-CG 3.79Å; Y140-L144 WeakPolarHBondContact O-CG 3.36Å; Y140-L144 PolarHBondContact O-N 3.2Å; L141-L144 HydrophobicContact CD2-CD1 4.49Å; L144-Y147 CarbonylContact O-C 3.56Å; L144-Y147 PolarHBondContact O-N 3.27Å; L144-Y147 VanDerWaalsContact O-N 3.13Å; L144-G148 PolarHBondContact O-N 2.84Å; L144-I149 CarbonylContact C-O 3.25Å; L144-I149 HydrophobicContact CB-CB 4.18Å; L144-I149 HydrophobicContact CB-CG2 4.5Å; L144-I149 HydrophobicContact CD2-CB 4.36Å; L144-I149 HydrophobicContact CD2-CD1 3.79Å; L144-I149 HydrophobicContact CD2-CG2 4.35Å; L144-I149 WeakPolarHBondContact O-CB 3.29Å; L144-I149 PolarHBondContact O-N 3.36Å; L144-R154 HydrophobicContact CD1-CB 4.14Å; L144-R154 HydrophobicContact CD1-CG 3.97Å; L144-R154 VanDerWaalsContact CD1-O 3.24Å; L144-R154 WeakPolarHBondContact CD1-O 3.35Å; L144-R154 HydrophobicContact CD2-CG 4.42Å
145R97.1Very high96.7Very high154 Ų15458.7 Ų58.758%0.58133%0.326SS*.Hα-helixtrans-62.9-41.6175-68.6-172.4-60.8-90.65.9112.8L141 S142 V143 Y147 G148L141-R145 WeakPolarHBondContact O-CG 3.27Å; L141-R145 PolarHBondContact O-N 3.45Å; L141-R145 PolarHBondContact O-NH1 3.31Å; S142-R145 PolarHBondContact O-N 3.49Å; V143-R145 VanDerWaalsContact C-N 3.28Å; V143-R145 PolarHBondContact O-N 2.83Å; R145-Y147 PolarHBondContact O-N 3.42Å; R145-G148 PolarHBondContact O-N 2.65Å
146D95.5Very high96.8Very high83 Ų8356.9 Ų56.944%0.44432%0.316SS..Hα-helixtrans-57.6-31.9175.2-69-1.5000111.1R105 S142 V143R105-D146 IonicContact CZ-OD2 3.83Å; R105-D146 IonicContact NH2-OD2 2.76Å; R105-D146 PolarHBondContact NH2-OD2 2.97Å; S142-D146 PolarHBondContact O-N 2.88Å; V143-D146 WeakPolarHBondContact O-CB 3.06Å; V143-D146 PolarHBondContact O-N 3.46Å; V143-D146 VanDerWaalsContact O-N 3.1Å
147Y96Very high96.8Very high94 Ų9459.2 Ų59.237%0.36933%0.327SS..THydrogen-bonded Turntrans-91.811.8175.9-75.9-78.5000114.4Y108 V143 L144 R145 I149Y108-Y147 AromaticContact CD1-CD2 3.64Å; Y108-Y147 HydrophobicContact CD1-CD2 3.64Å; Y108-Y147 AromaticContact CD1-CE2 3.43Å; Y108-Y147 HydrophobicContact CD1-CE2 3.43Å; Y108-Y147 VanDerWaalsContact CD1-CE2 3.43Å; Y108-Y147 HydrophobicContact CD1-CG 4.36Å; Y108-Y147 AromaticContact CD1-CZ 3.98Å; Y108-Y147 AromaticContact CE1-CD1 3.84Å; Y108-Y147 HydrophobicContact CE1-CD1 3.84Å; Y108-Y147 AromaticContact CE1-CD2 3.25Å; Y108-Y147 HydrophobicContact CE1-CD2 3.25Å; Y108-Y147 AromaticContact CE1-CE1 3.9Å; Y108-Y147 HydrophobicContact CE1-CE1 3.9Å; Y108-Y147 AromaticContact CE1-CE2 3.34Å; Y108-Y147 HydrophobicContact CE1-CE2 3.34Å; Y108-Y147 AromaticContact CE1-CG 3.52Å; Y108-Y147 HydrophobicContact CE1-CG 3.52Å; Y108-Y147 AromaticContact CE1-CZ 3.66Å; Y108-Y147 HydrophobicContact CG-CD2 4.41Å; Y108-Y147 HydrophobicContact CG-CE2 4.42Å; Y108-Y147 AromaticContact CZ-CD2 3.77Å; Y108-Y147 AromaticContact CZ-CG 3.75Å; V143-Y147 HydrophobicContact CG1-CD2 3.84Å; V143-Y147 HydrophobicContact CG1-CE2 3.83Å; V143-Y147 VanDerWaalsContact O-CD2 3.29Å; V143-Y147 WeakPolarHBondContact O-CD2 3.45Å; V143-Y147 PolarHBondContact O-N 3.36Å; L144-Y147 CarbonylContact O-C 3.56Å; L144-Y147 PolarHBondContact O-N 3.27Å; L144-Y147 VanDerWaalsContact O-N 3.13Å; R145-Y147 PolarHBondContact O-N 3.42Å; Y147-I149 VanDerWaalsContact C-N 3.29Å; Y147-I149 PolarHBondContact O-N 3.02Å
148G97.2Very high96.8Very high66 Ų6658.7 Ų58.768%0.6833%0.329SS*.THydrogen-bonded Turntrans74.216.217700000114.6L144 R145L144-G148 PolarHBondContact O-N 2.84Å; R145-G148 PolarHBondContact O-N 2.65Å
149I97Very high96.8Very high35 Ų3553.4 Ų53.418%0.17930%0.304CS..  trans-95.1114.7178.2-58.1153.9000108.5Y108 L144 Y147Y108-I149 HydrophobicContact CE2-CD1 3.75Å; L144-I149 CarbonylContact C-O 3.25Å; L144-I149 HydrophobicContact CB-CB 4.18Å; L144-I149 HydrophobicContact CB-CG2 4.5Å; L144-I149 HydrophobicContact CD2-CB 4.36Å; L144-I149 HydrophobicContact CD2-CD1 3.79Å; L144-I149 HydrophobicContact CD2-CG2 4.35Å; L144-I149 WeakPolarHBondContact O-CB 3.29Å; L144-I149 PolarHBondContact O-N 3.36Å; Y147-I149 VanDerWaalsContact C-N 3.29Å; Y147-I149 PolarHBondContact O-N 3.02Å
150S91.3Very high96.9Very high109 Ų10953 Ų5376%0.76230%0.301SS*.  trans-115.512.3-177.264.50000113.8P152S150-P152 VanDerWaalsContact O-CD 3.32Å; S150-P152 WeakPolarHBondContact O-CD 3.41Å
151D96.1Very high96.9Very high84 Ų8457.5 Ų57.545%0.44932%0.322SS..  trans-67.1114.4174.7-176.1-12.2000109.7S153 R154D151-S153 PolarHBondContact O-N 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.27Å; D151-S153 PolarHBondContact OD1-N 2.7Å; D151-S153 PolarHBondContact OD1-OG 3.34Å; D151-S153 PolarHBondContact OD2-OG 3.31Å; D151-R154 HydrophobicContact CB-CB 4.17Å; D151-R154 PolarHBondContact O-N 3.3Å
152P92.8Very high96.9Very high124 Ų12459.7 Ų59.781%0.80534%0.342SS*.THydrogen-bonded Turntrans-70-15.3-178.231.5-37.2000113.5S150 R154S150-P152 VanDerWaalsContact O-CD 3.32Å; S150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-R154 VanDerWaalsContact C-N 3.34Å
153S95.8Very high96.9Very high80 Ų8061 Ų6156%0.55935%0.348SS*.THydrogen-bonded Turntrans-80.6-18.617570.50000112.8D151 T155D151-S153 PolarHBondContact O-N 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.27Å; D151-S153 PolarHBondContact OD1-N 2.7Å; D151-S153 PolarHBondContact OD1-OG 3.34Å; D151-S153 PolarHBondContact OD2-OG 3.31Å; S153-T155 PolarHBondContact O-N 2.79Å
154R97.5Very high96.9Very high64 Ų6461.5 Ų61.524%0.24235%0.35CS..  trans-81.9120-179.1-162.6-177.4175167-2.4110.9L144 D151 P152 D159L144-R154 HydrophobicContact CD1-CB 4.14Å; L144-R154 HydrophobicContact CD1-CG 3.97Å; L144-R154 VanDerWaalsContact CD1-O 3.24Å; L144-R154 WeakPolarHBondContact CD1-O 3.35Å; L144-R154 HydrophobicContact CD2-CG 4.42Å; D151-R154 HydrophobicContact CB-CB 4.17Å; D151-R154 PolarHBondContact O-N 3.3Å; P152-R154 VanDerWaalsContact C-N 3.34Å; R154-D159 WeakPolarHBondContact CG-OD1 3.22Å; R154-D159 IonicContact CZ-OD1 3.46Å; R154-D159 IonicContact CZ-OD2 3.37Å; R154-D159 VanDerWaalsContact CZ-OD2 3.23Å; R154-D159 IonicContact NE-OD1 3.18Å; R154-D159 PolarHBondContact NE-OD1 2.83Å; R154-D159 IonicContact NE-OD2 3.82Å; R154-D159 PolarHBondContact NE-OD2 3.06Å; R154-D159 IonicContact NH2-OD1 3.37Å; R154-D159 IonicContact NH2-OD2 2.76Å; R154-D159 PolarHBondContact NH2-OD2 3.03Å
155T98.2Very high96.8Very high49 Ų4963.7 Ų63.730%0.30137%0.373SS..  trans-137.4171.7-177.264.80000109.9L141 S153 E157 S158 D159L141-T155 HydrophobicContact CD2-CG2 4.25Å; S153-T155 PolarHBondContact O-N 2.79Å; T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 2.87Å; T155-E157 PolarHBondContact OG1-N 3.49Å; T155-S158 PolarHBondContact N-OG 2.75Å; T155-S158 PolarHBondContact O-N 3.06Å; T155-S158 PolarHBondContact O-OG 3.12Å; T155-S158 PolarHBondContact OG1-N 3.02Å; T155-S158 VanDerWaalsContact OG1-N 3.08Å; T155-S158 PolarHBondContact OG1-OG 2.95Å; T155-D159 PolarHBondContact O-N 3.42Å; T155-D159 VanDerWaalsContact O-N 3.09Å
156L98.6Very high96.8Very high2 Ų258.8 Ų58.81%0.0137%0.371CS..Hα-helixtrans-57.5-42.517117456.2000111.5L107 M111 L125 I136 K137 Y140 D159 V160 L176L107-L156 HydrophobicContact CB-CD1 4.2Å; L107-L156 HydrophobicContact CD1-CD1 3.96Å; L107-L156 HydrophobicContact CD1-CD2 3.94Å; M111-L156 HydrophobicContact CE-CD1 3.66Å; L125-L156 HydrophobicContact CD2-CD2 4.33Å; I136-L156 HydrophobicContact CG2-CD2 3.81Å; K137-L156 HydrophobicContact CG-CB 4.48Å; K137-L156 HydrophobicContact CG-CD2 4.08Å; Y140-L156 HydrophobicContact CD1-CB 3.99Å; Y140-L156 HydrophobicContact CD2-CB 4.09Å; Y140-L156 HydrophobicContact CD2-CD1 3.84Å; Y140-L156 HydrophobicContact CD2-CG 4.41Å; Y140-L156 HydrophobicContact CE1-CB 4.45Å; Y140-L156 HydrophobicContact CE2-CD1 3.77Å; Y140-L156 HydrophobicContact CG-CB 3.8Å; Y140-L156 HydrophobicContact CG-CD1 4.43Å; L156-D159 PolarHBondContact O-N 2.86Å; L156-V160 HydrophobicContact CD1-CG2 4.1Å; L156-V160 WeakPolarHBondContact O-CB 3.18Å; L156-V160 WeakPolarHBondContact O-CG2 3.23Å; L156-V160 PolarHBondContact O-N 3Å; L156-L176 HydrophobicContact CD2-CD2 3.61Å; L156-L176 HydrophobicContact CG-CD1 4.29Å; L156-L176 HydrophobicContact CG-CD2 3.94Å
157E98.6Very high96.9Very high52 Ų5259 Ų5924%0.24337%0.366CS..Hα-helixtrans-67.6-40.5-178.9-171.817416600112.2T155 D159 V160 Q161 L176 Q177T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 2.87Å; T155-E157 PolarHBondContact OG1-N 3.49Å; E157-D159 VanDerWaalsContact C-N 3.35Å; E157-D159 PolarHBondContact O-N 2.9Å; E157-V160 PolarHBondContact O-N 3.35Å; E157-Q161 WeakPolarHBondContact O-CB 3.49Å; E157-Q161 VanDerWaalsContact O-CG 3.27Å; E157-Q161 WeakPolarHBondContact O-CG 3.28Å; E157-Q161 PolarHBondContact O-N 3.44Å; E157-L176 HydrophobicContact CB-CD1 4.05Å; E157-L176 HydrophobicContact CG-CD1 4.23Å; E157-Q177 PolarHBondContact OE1-NE2 2.85Å
158S98Very high97Very high32 Ų3255.1 Ų55.122%0.22435%0.352CS..Hα-helixtrans-66-38.4176.567.10000112.4T155 Q161 S162T155-S158 PolarHBondContact N-OG 2.75Å; T155-S158 PolarHBondContact O-N 3.06Å; T155-S158 PolarHBondContact O-OG 3.12Å; T155-S158 PolarHBondContact OG1-N 3.02Å; T155-S158 VanDerWaalsContact OG1-N 3.08Å; T155-S158 PolarHBondContact OG1-OG 2.95Å; S158-Q161 PolarHBondContact O-N 3Å; S158-S162 WeakPolarHBondContact O-CB 3.41Å; S158-S162 PolarHBondContact O-N 2.95Å
159D98.3Very high97Very high11 Ų1154.5 Ų54.56%0.05933%0.331CS..Hα-helixtrans-68.6-42.5177.9-7519.5000109.6M111 Y140 R154 T155 L156 E157 Q161 S162 D163M111-D159 HydrophobicContact CE-CB 4.08Å; M111-D159 HydrophobicContact SD-CB 3.92Å; Y140-D159 PolarHBondContact OH-OD2 2.86Å; R154-D159 WeakPolarHBondContact CG-OD1 3.22Å; R154-D159 IonicContact CZ-OD1 3.46Å; R154-D159 IonicContact CZ-OD2 3.37Å; R154-D159 VanDerWaalsContact CZ-OD2 3.23Å; R154-D159 IonicContact NE-OD1 3.18Å; R154-D159 PolarHBondContact NE-OD1 2.83Å; R154-D159 IonicContact NE-OD2 3.82Å; R154-D159 PolarHBondContact NE-OD2 3.06Å; R154-D159 IonicContact NH2-OD1 3.37Å; R154-D159 IonicContact NH2-OD2 2.76Å; R154-D159 PolarHBondContact NH2-OD2 3.03Å; T155-D159 PolarHBondContact O-N 3.42Å; T155-D159 VanDerWaalsContact O-N 3.09Å; L156-D159 PolarHBondContact O-N 2.86Å; E157-D159 VanDerWaalsContact C-N 3.35Å; E157-D159 PolarHBondContact O-N 2.9Å; D159-Q161 PolarHBondContact O-N 2.97Å; D159-S162 PolarHBondContact O-N 2.83Å; D159-D163 WeakPolarHBondContact O-CB 3.41Å; D159-D163 PolarHBondContact O-N 3.39Å
160V98.5Very high97.1Very high0 Ų056.7 Ų56.70%034%0.341CS..Hα-helixtrans-59-43.3172.3162.90000112.4M111 L125 L156 E157 S162 D163 L164 V172 V173 L176M111-V160 HydrophobicContact CE-CG2 4.29Å; M111-V160 HydrophobicContact SD-CB 4.44Å; M111-V160 HydrophobicContact SD-CG2 3.72Å; L125-V160 HydrophobicContact CD1-CG2 4.49Å; L156-V160 HydrophobicContact CD1-CG2 4.1Å; L156-V160 WeakPolarHBondContact O-CB 3.18Å; L156-V160 WeakPolarHBondContact O-CG2 3.23Å; L156-V160 PolarHBondContact O-N 3Å; E157-V160 PolarHBondContact O-N 3.35Å; V160-S162 PolarHBondContact O-N 3.38Å; V160-D163 PolarHBondContact O-N 3.48Å; V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.43Å; V160-L164 WeakPolarHBondContact O-CB 3.47Å; V160-L164 PolarHBondContact O-N 3.33Å; V160-V172 HydrophobicContact CG1-CB 4.09Å; V160-V172 HydrophobicContact CG1-CG1 3.64Å; V160-V172 HydrophobicContact CG2-CG1 4.14Å; V160-V173 HydrophobicContact CG1-CG2 4.11Å; V160-L176 HydrophobicContact CB-CD1 4.11Å; V160-L176 HydrophobicContact CG1-CD1 4.21Å; V160-L176 HydrophobicContact CG2-CD1 4.02Å
161Q98Very high97.4Very high96 Ų9651.5 Ų51.545%0.44930%0.304SS..Hα-helixtrans-66.6-23.4176.9-75.6174.4-12.700113.1E157 S158 D159 Q169 V173E157-Q161 WeakPolarHBondContact O-CB 3.49Å; E157-Q161 VanDerWaalsContact O-CG 3.27Å; E157-Q161 WeakPolarHBondContact O-CG 3.28Å; E157-Q161 PolarHBondContact O-N 3.44Å; S158-Q161 PolarHBondContact O-N 3Å; D159-Q161 PolarHBondContact O-N 2.97Å; Q161-Q169 PolarHBondContact O-NE2 2.95Å; Q161-V173 HydrophobicContact CG-CG2 3.83Å
162S97.1Very high97.6Very high98 Ų9847.5 Ų47.569%0.68528%0.283SS*.Hα-helixtrans-86.2-38.8177.8-177.20000112.1S158 D159 V160S158-S162 WeakPolarHBondContact O-CB 3.41Å; S158-S162 PolarHBondContact O-N 2.95Å; D159-S162 PolarHBondContact O-N 2.83Å; V160-S162 PolarHBondContact O-N 3.38Å
163D97.3Very high97.9Very high44 Ų4442.9 Ų42.924%0.23525%0.252CS..Hα-helixtrans-98.7-21.4-167.9-77.7-97.9000114.2M111 T116 D159 V160M111-D163 HydrophobicContact CB-CB 4.15Å; M111-D163 HydrophobicContact CG-CB 3.99Å; M111-D163 HydrophobicContact SD-CB 4.44Å; T116-D163 HydrophobicContact CG2-CB 4.28Å; T116-D163 PolarHBondContact OG1-O 2.94Å; T116-D163 VanDerWaalsContact OG1-O 3.12Å; D159-D163 WeakPolarHBondContact O-CB 3.41Å; D159-D163 PolarHBondContact O-N 3.39Å; V160-D163 PolarHBondContact O-N 3.48Å
164L97.7Very high98Very high11 Ų1140.8 Ų40.86%0.05824%0.24CC..  trans-104.1159.4174.6-55.8-175.6000111.5T116 E118 I121 V160 L168 Q169 V172T116-L164 HydrophobicContact CG2-CD2 3.78Å; E118-L164 HydrophobicContact CG-CD2 3.96Å; I121-L164 HydrophobicContact CD1-CD2 3.94Å; I121-L164 HydrophobicContact CD1-CG 4.48Å; I121-L164 HydrophobicContact CG2-CD1 4.16Å; V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.43Å; V160-L164 WeakPolarHBondContact O-CB 3.47Å; V160-L164 PolarHBondContact O-N 3.33Å; L164-L168 HydrophobicContact CD1-CD2 4.24Å; L164-L168 HydrophobicContact CD1-CG 4.13Å; L164-L168 HydrophobicContact CD2-CD2 3.96Å; L164-Q169 HydrophobicContact CB-CB 3.82Å; L164-Q169 HydrophobicContact CB-CG 4.18Å; L164-Q169 PolarHBondContact O-NE2 3.26Å; L164-V172 HydrophobicContact CD1-CB 4.11Å; L164-V172 HydrophobicContact CD1-CG1 4.33Å; L164-V172 HydrophobicContact CD1-CG2 3.9Å
165G96.5Very high98Very high49 Ų4938.6 Ų38.651%0.50523%0.233SC..  trans-136171.4172.900000113.3Q169G165-Q169 PolarHBondContact O-N 3.13Å
166G96.9Very high98.1Very high51 Ų5136.2 Ų36.253%0.52622%0.218SC..Hα-helixtrans60.3-149.6173.800000114.3L168 Q169 Q170G166-L168 VanDerWaalsContact C-N 3.31Å; G166-L168 PolarHBondContact O-N 3.39Å; G166-Q169 WeakPolarHBondContact O-CB 3.32Å; G166-Q169 PolarHBondContact O-N 3.02Å; G166-Q170 PolarHBondContact O-N 3.47Å
167Y97Very high98.1Very high87 Ų8739.7 Ų39.734%0.34123%0.234SC..Hα-helixtrans-69.4-25.7-177.3-64.3-60.5000113.9Q170 L171 E224 I228Y167-Q170 PolarHBondContact O-N 3.19Å; Y167-L171 VanDerWaalsContact O-CB 3.25Å; Y167-L171 WeakPolarHBondContact O-CB 2.9Å; Y167-L171 PolarHBondContact O-N 3.39Å; Y167-E224 HydrophobicContact CD1-CB 3.59Å; Y167-E224 HydrophobicContact CD1-CG 4.21Å; Y167-E224 HydrophobicContact CD2-CB 4.04Å; Y167-E224 HydrophobicContact CD2-CG 3.7Å; Y167-E224 HydrophobicContact CE1-CB 3.57Å; Y167-E224 HydrophobicContact CE1-CG 4.15Å; Y167-E224 HydrophobicContact CE2-CB 3.99Å; Y167-E224 HydrophobicContact CE2-CG 3.6Å; Y167-E224 WeakPolarHBondContact CE2-OE1 3.48Å; Y167-E224 WeakPolarHBondContact CE2-OE2 3.49Å; Y167-E224 HydrophobicContact CG-CB 3.83Å; Y167-E224 HydrophobicContact CG-CG 3.99Å; Y167-E224 PolarHBondContact OH-OE2 2.88Å; Y167-I228 HydrophobicContact CD1-CD1 4.25Å
168L98.4Very high98Very high14 Ų1438 Ų387%0.07323%0.229CC..Hα-helixtrans-61.1-48.6170.7177.166.4000110.5E118 I122 L164 G166 Q170 L171 V172 D265 A269E118-L168 HydrophobicContact CB-CD2 4.3Å; E118-L168 HydrophobicContact CG-CD2 3.92Å; I122-L168 HydrophobicContact CD1-CD1 4.05Å; I122-L168 HydrophobicContact CG1-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CD2 4.24Å; L164-L168 HydrophobicContact CD1-CG 4.13Å; L164-L168 HydrophobicContact CD2-CD2 3.96Å; G166-L168 VanDerWaalsContact C-N 3.31Å; G166-L168 PolarHBondContact O-N 3.39Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.04Å; L168-L171 PolarHBondContact O-N 3.31Å; L168-V172 HydrophobicContact CD1-CG2 4.03Å; L168-V172 HydrophobicContact CG-CG2 4.43Å; L168-V172 VanDerWaalsContact O-CG2 3.32Å; L168-V172 WeakPolarHBondContact O-CG2 3.32Å; L168-V172 PolarHBondContact O-N 3.24Å; L168-D265 HydrophobicContact CD1-CB 4.46Å; L168-D265 HydrophobicContact CD2-CB 3.66Å; L168-A269 HydrophobicContact CD1-CB 3.66Å
169Q98.4Very high98Very high53 Ų5344.1 Ų44.125%0.24825%0.252CS..Hα-helixtrans-57.7-46.8176.5-174.9-166.574.800111.1Q161 L164 G165 G166 L171 V172 V173Q161-Q169 PolarHBondContact O-NE2 2.95Å; L164-Q169 HydrophobicContact CB-CB 3.82Å; L164-Q169 HydrophobicContact CB-CG 4.18Å; L164-Q169 PolarHBondContact O-NE2 3.26Å; G165-Q169 PolarHBondContact O-N 3.13Å; G166-Q169 WeakPolarHBondContact O-CB 3.32Å; G166-Q169 PolarHBondContact O-N 3.02Å; Q169-L171 PolarHBondContact O-N 2.99Å; Q169-V172 PolarHBondContact O-N 3.34Å; Q169-V173 HydrophobicContact CG-CG2 4.31Å; Q169-V173 WeakPolarHBondContact O-CB 3.47Å; Q169-V173 VanDerWaalsContact O-CG2 3.26Å; Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 2.75Å
170Q98.3Very high98Very high81 Ų8145.3 Ų45.338%0.37926%0.256SS..Hα-helixtrans-61.3-45.2-179.8-65.8177.914.500112.2G166 Y167 L168 V173 A174 D225 I228G166-Q170 PolarHBondContact O-N 3.47Å; Y167-Q170 PolarHBondContact O-N 3.19Å; L168-Q170 VanDerWaalsContact C-N 3.32Å; L168-Q170 PolarHBondContact O-N 3.04Å; Q170-V173 PolarHBondContact O-N 2.93Å; Q170-A174 WeakPolarHBondContact O-CB 3.5Å; Q170-A174 PolarHBondContact O-N 3.37Å; Q170-D225 PolarHBondContact OE1-OD1 3.07Å; Q170-I228 HydrophobicContact CB-CD1 4.09Å
171L98.5Very high97.9Very high0 Ų049.1 Ų49.10%028%0.276CS..Hα-helixtrans-61.5-47.5177.2177.1155.4000111.4Y167 L168 Q169 A174 L175 I228 F266 A269 L270 I273Y167-L171 VanDerWaalsContact O-CB 3.25Å; Y167-L171 WeakPolarHBondContact O-CB 2.9Å; Y167-L171 PolarHBondContact O-N 3.39Å; L168-L171 PolarHBondContact O-N 3.31Å; Q169-L171 PolarHBondContact O-N 2.99Å; L171-A174 WeakPolarHBondContact O-CB 3.47Å; L171-A174 PolarHBondContact O-N 3.32Å; L171-L175 HydrophobicContact CD2-CD1 4.06Å; L171-L175 PolarHBondContact O-N 3.09Å; L171-I228 HydrophobicContact CB-CD1 4.24Å; L171-I228 HydrophobicContact CB-CG1 4.15Å; L171-F266 HydrophobicContact CB-CD2 4.47Å; L171-F266 HydrophobicContact CB-CE2 4.32Å; L171-F266 HydrophobicContact CD1-CD2 3.97Å; L171-F266 HydrophobicContact CD1-CE2 3.72Å; L171-A269 HydrophobicContact CD1-CB 4.16Å; L171-A269 HydrophobicContact CD2-CB 3.81Å; L171-L270 HydrophobicContact CD1-CB 4.24Å; L171-L270 HydrophobicContact CD1-CD1 4.24Å; L171-I273 HydrophobicContact CD1-CD1 4.05Å; L171-I273 HydrophobicContact CD2-CD1 3.72Å; L171-I273 HydrophobicContact CG-CD1 4.02Å
172V98.7Very high97.7Very high0 Ų049.5 Ų49.50%028%0.278CS..Hα-helixtrans-66.9-41.3179.81790000111.1I121 L125 V160 L164 L168 Q169 A174 L175 L176I121-V172 HydrophobicContact CG2-CG1 4.34Å; I121-V172 HydrophobicContact CG2-CG2 4.48Å; L125-V172 HydrophobicContact CD1-CG1 3.39Å; V160-V172 HydrophobicContact CG1-CB 4.09Å; V160-V172 HydrophobicContact CG1-CG1 3.64Å; V160-V172 HydrophobicContact CG2-CG1 4.14Å; L164-V172 HydrophobicContact CD1-CB 4.11Å; L164-V172 HydrophobicContact CD1-CG1 4.33Å; L164-V172 HydrophobicContact CD1-CG2 3.9Å; L168-V172 HydrophobicContact CD1-CG2 4.03Å; L168-V172 HydrophobicContact CG-CG2 4.43Å; L168-V172 VanDerWaalsContact O-CG2 3.32Å; L168-V172 WeakPolarHBondContact O-CG2 3.32Å; L168-V172 PolarHBondContact O-N 3.24Å; Q169-V172 PolarHBondContact O-N 3.34Å; V172-A174 VanDerWaalsContact C-N 3.28Å; V172-A174 PolarHBondContact O-N 3.04Å; V172-L175 PolarHBondContact O-N 2.98Å; V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 HydrophobicContact CG1-CG 4.46Å; V172-L176 WeakPolarHBondContact O-CG 3.24Å; V172-L176 PolarHBondContact O-N 2.71Å
173V98.6Very high97.5Very high27 Ų2746.6 Ų46.616%0.16425%0.254CS..Hα-helixtrans-62.1-37.2174.71690000111.3V160 Q161 Q169 Q170 L176 Q177V160-V173 HydrophobicContact CG1-CG2 4.11Å; Q161-V173 HydrophobicContact CG-CG2 3.83Å; Q169-V173 HydrophobicContact CG-CG2 4.31Å; Q169-V173 WeakPolarHBondContact O-CB 3.47Å; Q169-V173 VanDerWaalsContact O-CG2 3.26Å; Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 2.75Å; Q170-V173 PolarHBondContact O-N 2.93Å; V173-L176 PolarHBondContact O-N 2.91Å; V173-Q177 WeakPolarHBondContact O-CG 3.42Å; V173-Q177 PolarHBondContact O-N 3.37Å; V173-Q177 PolarHBondContact O-NE2 2.79Å
174A98.5Very high97.2Very high36 Ų3648.3 Ų48.330%0.29827%0.268SS..Hα-helixtrans-62.9-42.6174.600000112Q170 L171 V172 Q177 I228 C232Q170-A174 WeakPolarHBondContact O-CB 3.5Å; Q170-A174 PolarHBondContact O-N 3.37Å; L171-A174 WeakPolarHBondContact O-CB 3.47Å; L171-A174 PolarHBondContact O-N 3.32Å; V172-A174 VanDerWaalsContact C-N 3.28Å; V172-A174 PolarHBondContact O-N 3.04Å; A174-Q177 WeakPolarHBondContact O-CB 3.45Å; A174-Q177 PolarHBondContact O-N 3.37Å; A174-I228 HydrophobicContact CB-CG2 4.1Å; A174-C232 HydrophobicContact CB-CB 4.2Å
175L98.5Very high96.8Very high17 Ų1751.1 Ų51.19%0.08928%0.279CS..Hα-helixtrans-63-40.7174.2-67.2176.8000112.3L171 V172 Q177 A178 C232 I273L171-L175 HydrophobicContact CD2-CD1 4.06Å; L171-L175 PolarHBondContact O-N 3.09Å; V172-L175 PolarHBondContact O-N 2.98Å; L175-Q177 PolarHBondContact O-N 3.14Å; L175-Q177 VanDerWaalsContact O-N 3.1Å; L175-A178 PolarHBondContact O-N 3Å; L175-C232 HydrophobicContact CD2-CB 4.14Å; L175-I273 HydrophobicContact CD1-CD1 3.91Å; L175-I273 HydrophobicContact CD1-CG1 4.35Å; L175-I273 HydrophobicContact CD2-CD1 4.17Å; L175-I273 HydrophobicContact CG-CD1 4.36Å
176L98.7Very high96.5Very high0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-64.6-13.7179.8-71.6178.2000114.2L125 I133 K137 L156 E157 V160 V172 V173 A178L125-L176 HydrophobicContact CD1-CD2 4.18Å; L125-L176 HydrophobicContact CD2-CD2 4.1Å; I133-L176 HydrophobicContact CG2-CD2 4.19Å; K137-L176 PolarHBondContact NZ-O 2.91Å; L156-L176 HydrophobicContact CD2-CD2 3.61Å; L156-L176 HydrophobicContact CG-CD1 4.29Å; L156-L176 HydrophobicContact CG-CD2 3.94Å; E157-L176 HydrophobicContact CB-CD1 4.05Å; E157-L176 HydrophobicContact CG-CD1 4.23Å; V160-L176 HydrophobicContact CB-CD1 4.11Å; V160-L176 HydrophobicContact CG1-CD1 4.21Å; V160-L176 HydrophobicContact CG2-CD1 4.02Å; V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 HydrophobicContact CG1-CG 4.46Å; V172-L176 WeakPolarHBondContact O-CG 3.24Å; V172-L176 PolarHBondContact O-N 2.71Å; V173-L176 PolarHBondContact O-N 2.91Å; L176-A178 PolarHBondContact O-N 3.01Å
177Q98.5Very high96.2Very high74 Ų7455.3 Ų55.335%0.34627%0.274SS..THydrogen-bonded Turntrans-68.9-17.3170.2-58.1-50.7-5900113E157 V173 A174 L175 K179E157-Q177 PolarHBondContact OE1-NE2 2.85Å; V173-Q177 WeakPolarHBondContact O-CG 3.42Å; V173-Q177 PolarHBondContact O-N 3.37Å; V173-Q177 PolarHBondContact O-NE2 2.79Å; A174-Q177 WeakPolarHBondContact O-CB 3.45Å; A174-Q177 PolarHBondContact O-N 3.37Å; L175-Q177 PolarHBondContact O-N 3.14Å; L175-Q177 VanDerWaalsContact O-N 3.1Å; Q177-K179 VanDerWaalsContact C-N 3.28Å; Q177-K179 HydrophobicContact CB-CD 4.46Å; Q177-K179 WeakPolarHBondContact O-CG 3.33Å; Q177-K179 PolarHBondContact O-N 3.26Å
178A98Very high95.8Very high17 Ų1751.2 Ų51.214%0.1426%0.258CS..  trans51.545.2179.500000113.1N130 I133 E134 L175 L176N130-A178 HydrophobicContact CB-CB 4.13Å; N130-A178 VanDerWaalsContact CG-O 3.3Å; N130-A178 WeakPolarHBondContact OD1-CA 3.45Å; N130-A178 PolarHBondContact OD1-O 2.67Å; I133-A178 HydrophobicContact CB-CB 4.19Å; I133-A178 HydrophobicContact CG2-CB 3.89Å; E134-A178 HydrophobicContact CG-CB 3.75Å; E134-A178 WeakPolarHBondContact OE1-CB 3.27Å; L175-A178 PolarHBondContact O-N 3Å; L176-A178 PolarHBondContact O-N 3.01Å
179K97.8Very high95.3Very high160 Ų16055.8 Ų55.870%0.69628%0.279SS*.  trans-128.426.6-175.7-74.9173.7-169.8175.50113.1N130 Q177 D181N130-K179 PolarHBondContact OD1-N 2.82Å; Q177-K179 VanDerWaalsContact C-N 3.28Å; Q177-K179 HydrophobicContact CB-CD 4.46Å; Q177-K179 WeakPolarHBondContact O-CG 3.33Å; Q177-K179 PolarHBondContact O-N 3.26Å; K179-D181 PolarHBondContact O-N 3.08Å
180R97.3Very high94.7Very high36 Ų3656.9 Ų56.914%0.13628%0.283CS..  trans-58.7138.4168.7-179.7-179.6-71.5-86.2-1.3108.8N130 E182 V231 R234 L239N130-R180 PolarHBondContact ND2-N 2.91Å; N130-R180 PolarHBondContact ND2-O 2.78Å; N130-R180 WeakPolarHBondContact OD1-CB 3.42Å; N130-R180 PolarHBondContact OD1-N 3.12Å; R180-E182 PolarHBondContact O-N 2.72Å; R180-V231 VanDerWaalsContact CZ-O 3.23Å; R180-V231 PolarHBondContact NH1-O 2.66Å; R180-V231 PolarHBondContact NH2-O 3.18Å; R180-R234 WeakPolarHBondContact CD-O 3.44Å; R180-R234 WeakPolarHBondContact CG-O 3.44Å; R180-R234 PolarHBondContact NH1-O 2.66Å; R180-L239 VanDerWaalsContact NH1-CD1 3.29Å
181D97.6Very high94.3Very high80 Ų8053.3 Ų53.343%0.42827%0.266SS..  trans-56129.3173.3-66.7-26.3000109.4K179 G233 R234 S235K179-D181 PolarHBondContact O-N 3.08Å; D181-G233 WeakPolarHBondContact CB-O 3.35Å; D181-G233 VanDerWaalsContact CG-O 3.28Å; D181-G233 PolarHBondContact N-O 3.19Å; D181-R234 IonicContact OD2-NH1 2.65Å; D181-S235 WeakPolarHBondContact O-CA 3.39Å; D181-S235 WeakPolarHBondContact O-CB 3.46Å
182E93.9Very high93.7Very high105 Ų10556.7 Ų56.749%0.49129%0.29SS..  trans-124.1152.1176.1-74.6175.318000109.2N130 R180N130-E182 WeakPolarHBondContact CB-OE1 3.45Å; N130-E182 VanDerWaalsContact ND2-CD 3.31Å; N130-E182 PolarHBondContact ND2-OE1 3.36Å; R180-E182 PolarHBondContact O-N 2.72Å
183I92.2Very high93.2Very high36 Ų3665.4 Ų65.419%0.18533%0.328CS..  trans-108.7151.3170.568.7177.6000109.1D187 V188 V199 W237I183-D187 HydrophobicContact CB-CB 4.41Å; I183-D187 HydrophobicContact CD1-CB 4.01Å; I183-D187 HydrophobicContact CG1-CB 4.36Å; I183-V188 HydrophobicContact CD1-CG2 3.82Å; I183-V188 HydrophobicContact CG1-CG2 3.71Å; I183-V199 HydrophobicContact CD1-CB 3.88Å; I183-V199 HydrophobicContact CD1-CG1 4.43Å; I183-V199 HydrophobicContact CD1-CG2 3.79Å; I183-W237 HydrophobicContact CD1-CD2 4.31Å; I183-W237 HydrophobicContact CD1-CG 3.81Å; I183-W237 VanDerWaalsContact CG1-CD1 3.46Å; I183-W237 HydrophobicContact CG1-CG 4.45Å
184P91.1Very high92.9Very high80 Ų8071.3 Ų71.352%0.51935%0.351SS..  trans-54143172.4-24.333.7000111.6E186 D187 V188P184-E186 PolarHBondContact O-N 3.07Å; P184-E186 VanDerWaalsContact O-N 3.13Å; P184-D187 WeakPolarHBondContact O-CA 3.42Å; P184-D187 WeakPolarHBondContact O-CB 3.39Å; P184-D187 PolarHBondContact O-N 3.21Å; P184-V188 PolarHBondContact O-N 3.05Å
185F89.3Confident92.5Very high70 Ų7071.2 Ų71.231%0.30735%0.354SS..Hα-helixtrans-56.8-32.6178.6-174.5-102.9000112.7K5 I9 D187 V188 E189K5-F185 HydrophobicContact CB-CD2 3.86Å; K5-F185 HydrophobicContact CB-CE2 3.72Å; K5-F185 HydrophobicContact CB-CZ 4.33Å; K5-F185 WeakPolarHBondContact O-CE2 3.32Å; I9-F185 HydrophobicContact CG1-CE2 4.3Å; F185-D187 PolarHBondContact O-N 3.49Å; F185-V188 HydrophobicContact CD2-CB 4.45Å; F185-V188 WeakPolarHBondContact O-CB 3.42Å; F185-V188 PolarHBondContact O-N 2.9Å; F185-V188 VanDerWaalsContact O-N 3.11Å; F185-E189 HydrophobicContact CD1-CG 4.19Å; F185-E189 HydrophobicContact CE1-CG 3.79Å; F185-E189 HydrophobicContact CZ-CG 4.21Å; F185-E189 PolarHBondContact O-N 3.36Å
186E89.3Confident92.2Very high141 Ų14171.6 Ų71.666%0.65936%0.356SS*.Hα-helixtrans-60.9-29.1174.4-62179.6-169.900113.3P184 K190P184-E186 PolarHBondContact O-N 3.07Å; P184-E186 VanDerWaalsContact O-N 3.13Å; E186-K190 WeakPolarHBondContact O-CE 3.42Å; E186-K190 WeakPolarHBondContact O-CG 3.39Å
187D91.8Very high91.9Very high47 Ų4776.9 Ų76.925%0.25138%0.379SS..Hα-helixtrans-78.2-38.2174.2-70.7-30.7000111I183 P184 F185 E189 K190 V199I183-D187 HydrophobicContact CB-CB 4.41Å; I183-D187 HydrophobicContact CD1-CB 4.01Å; I183-D187 HydrophobicContact CG1-CB 4.36Å; P184-D187 WeakPolarHBondContact O-CA 3.42Å; P184-D187 WeakPolarHBondContact O-CB 3.39Å; P184-D187 PolarHBondContact O-N 3.21Å; F185-D187 PolarHBondContact O-N 3.49Å; D187-E189 VanDerWaalsContact C-N 3.26Å; D187-E189 PolarHBondContact O-N 2.95Å; D187-K190 WeakPolarHBondContact O-CB 3.29Å; D187-K190 PolarHBondContact O-N 3.07Å; D187-K190 IonicContact OD1-NZ 2.65Å; D187-K190 PolarHBondContact OD1-NZ 2.92Å; D187-V199 HydrophobicContact CB-CG1 4.01Å; D187-V199 WeakPolarHBondContact O-CG1 3.34Å
188V89.2Confident91.6Very high1 Ų176.1 Ų76.11%0.00638%0.382CS..Hα-helixtrans-54.2-44.8172-178.70000110.9I9 I183 P184 F185 K190 I191 W237I9-V188 HydrophobicContact CB-CG1 3.67Å; I9-V188 HydrophobicContact CG1-CG1 3.82Å; I9-V188 HydrophobicContact CG2-CG1 3.65Å; I183-V188 HydrophobicContact CD1-CG2 3.82Å; I183-V188 HydrophobicContact CG1-CG2 3.71Å; P184-V188 PolarHBondContact O-N 3.05Å; F185-V188 HydrophobicContact CD2-CB 4.45Å; F185-V188 WeakPolarHBondContact O-CB 3.42Å; F185-V188 PolarHBondContact O-N 2.9Å; F185-V188 VanDerWaalsContact O-N 3.11Å; V188-K190 PolarHBondContact O-N 3.22Å; V188-K190 VanDerWaalsContact O-N 3.16Å; V188-I191 HydrophobicContact CG1-CD1 4.39Å; V188-I191 VanDerWaalsContact O-CB 3.3Å; V188-I191 WeakPolarHBondContact O-CB 3.38Å; V188-I191 WeakPolarHBondContact O-CG1 3.17Å; V188-I191 PolarHBondContact O-N 3.07Å; V188-I191 VanDerWaalsContact O-N 3.08Å; V188-W237 HydrophobicContact CB-CZ2 4.13Å; V188-W237 HydrophobicContact CG1-CH2 3.61Å; V188-W237 HydrophobicContact CG1-CZ2 3.47Å; V188-W237 VanDerWaalsContact CG1-CZ2 3.47Å; V188-W237 HydrophobicContact CG2-CZ2 3.58Å
189E85.9Confident91.3Very high110 Ų11076.4 Ų76.451%0.51438%0.382SS..Hα-helixtrans-62.1-24.5178.5-68.5-174.8120.100113.5F185 D187 I191 S192F185-E189 HydrophobicContact CD1-CG 4.19Å; F185-E189 HydrophobicContact CE1-CG 3.79Å; F185-E189 HydrophobicContact CZ-CG 4.21Å; F185-E189 PolarHBondContact O-N 3.36Å; D187-E189 VanDerWaalsContact C-N 3.26Å; D187-E189 PolarHBondContact O-N 2.95Å; E189-I191 VanDerWaalsContact C-N 3.32Å; E189-S192 PolarHBondContact O-OG 2.98Å; E189-S192 VanDerWaalsContact O-OG 3.05Å
190K87.3Confident91.2Very high77 Ų7769.7 Ų69.734%0.33535%0.354SS..Hα-helixtrans-75-21178.1-65.1167.2-164.9161.90112.5E186 D187 V188 S192 K193 K194E186-K190 WeakPolarHBondContact O-CE 3.42Å; E186-K190 WeakPolarHBondContact O-CG 3.39Å; D187-K190 WeakPolarHBondContact O-CB 3.29Å; D187-K190 PolarHBondContact O-N 3.07Å; D187-K190 IonicContact OD1-NZ 2.65Å; D187-K190 PolarHBondContact OD1-NZ 2.92Å; V188-K190 PolarHBondContact O-N 3.22Å; V188-K190 VanDerWaalsContact O-N 3.16Å; K190-S192 VanDerWaalsContact C-N 3.31Å; K190-S192 PolarHBondContact O-N 3.03Å; K190-K193 PolarHBondContact O-N 3.33Å; K190-K194 PolarHBondContact O-N 3.17Å
191I89.6Confident91.2Very high5 Ų572.6 Ų72.63%0.02637%0.372CS..Hα-helixtrans-56.6-45.8-178.2-64174000110.8V188 E189 K193 K194 G195 L196 V199 W237V188-I191 HydrophobicContact CG1-CD1 4.39Å; V188-I191 VanDerWaalsContact O-CB 3.3Å; V188-I191 WeakPolarHBondContact O-CB 3.38Å; V188-I191 WeakPolarHBondContact O-CG1 3.17Å; V188-I191 PolarHBondContact O-N 3.07Å; V188-I191 VanDerWaalsContact O-N 3.08Å; E189-I191 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 3.41Å; I191-K193 VanDerWaalsContact O-N 3.08Å; I191-K194 PolarHBondContact O-N 2.91Å; I191-G195 VanDerWaalsContact O-CA 3.24Å; I191-G195 WeakPolarHBondContact O-CA 3.27Å; I191-G195 PolarHBondContact O-N 2.94Å; I191-L196 HydrophobicContact CD1-CD1 4.15Å; I191-V199 HydrophobicContact CD1-CG2 3.96Å; I191-V199 HydrophobicContact CG1-CG1 4.19Å; I191-V199 HydrophobicContact CG1-CG2 3.81Å; I191-W237 HydrophobicContact CD1-CD2 3.68Å; I191-W237 HydrophobicContact CD1-CE3 3.31Å; I191-W237 HydrophobicContact CD1-CG 4.41Å; I191-W237 HydrophobicContact CD1-CH2 4.03Å; I191-W237 HydrophobicContact CD1-CZ2 4.35Å; I191-W237 HydrophobicContact CD1-CZ3 3.5Å
192S86.5Confident91.2Very high71 Ų7171 Ų7150%0.49736%0.363SS..Hα-helixtrans-57-27.1178.464.70000114.2E189 K190E189-S192 PolarHBondContact O-OG 2.98Å; E189-S192 VanDerWaalsContact O-OG 3.05Å; K190-S192 VanDerWaalsContact C-N 3.31Å; K190-S192 PolarHBondContact O-N 3.03Å
193K88.5Confident91.4Very high183 Ų18369.1 Ų69.180%0.79636%0.361SS*.Hα-helixtrans-104.2-33.1-174.3-66.4174.8-175168.50113.4K190 I191K190-K193 PolarHBondContact O-N 3.33Å; I191-K193 PolarHBondContact O-N 3.41Å; I191-K193 VanDerWaalsContact O-N 3.08Å
194K91.2Very high91.7Very high152 Ų15269.9 Ų69.966%0.66136%0.364SS*.Hα-helixtrans-117.9-6.5-170.5-63.7-173.3179.7-176.20113.5K190 I191 S198K190-K194 PolarHBondContact O-N 3.17Å; I191-K194 PolarHBondContact O-N 2.91Å; K194-S198 VanDerWaalsContact CB-OG 3.27Å; K194-S198 WeakPolarHBondContact CB-OG 3.44Å
195G90.2Very high92Very high34 Ų3466.1 Ų66.135%0.35134%0.339SS..  trans78.1159.7-174.300000113.1I191 K197 S198I191-G195 VanDerWaalsContact O-CA 3.24Å; I191-G195 WeakPolarHBondContact O-CA 3.27Å; I191-G195 PolarHBondContact O-N 2.94Å; G195-K197 VanDerWaalsContact C-N 3.28Å; G195-K197 PolarHBondContact O-N 3.43Å; G195-S198 WeakPolarHBondContact O-CB 3.42Å; G195-S198 PolarHBondContact O-N 2.88Å; G195-S198 VanDerWaalsContact O-N 3.09Å; G195-S198 PolarHBondContact O-OG 2.95Å
196L91.8Very high92.5Very high24 Ų2467.9 Ų67.913%0.12635%0.349CS..G310 helixtrans-54.7-39.5-177.7-176.564.7000113.4I191 S198 V199 W237 Q240 E241I191-L196 HydrophobicContact CD1-CD1 4.15Å; L196-S198 PolarHBondContact O-N 2.97Å; L196-V199 HydrophobicContact CD1-CG2 4.37Å; L196-V199 VanDerWaalsContact O-CG2 3.24Å; L196-V199 WeakPolarHBondContact O-CG2 3.31Å; L196-V199 PolarHBondContact O-N 3.23Å; L196-W237 HydrophobicContact CD1-CB 3.71Å; L196-W237 HydrophobicContact CD1-CD2 4.46Å; L196-W237 HydrophobicContact CD1-CE3 3.89Å; L196-W237 HydrophobicContact CD1-CG 4.45Å; L196-Q240 HydrophobicContact CD2-CB 3.59Å; L196-E241 HydrophobicContact CD2-CB 4.07Å
197K93.1Very high92.9Very high111 Ų11165.7 Ų65.748%0.48334%0.338SS..G310 helixtrans-56.2-21.1178.3-64.6-169.2174.4-161.10114.5G195 V199 M202 E241G195-K197 VanDerWaalsContact C-N 3.28Å; G195-K197 PolarHBondContact O-N 3.43Å; K197-V199 VanDerWaalsContact C-N 3.26Å; K197-V199 PolarHBondContact O-N 3.25Å; K197-M202 HydrophobicContact CB-SD 4.3Å; K197-M202 HydrophobicContact CD-SD 4.23Å; K197-M202 HydrophobicContact CG-SD 3.94Å; K197-E241 WeakPolarHBondContact CE-OE1 3.29Å; K197-E241 WeakPolarHBondContact CE-OE2 3.37Å; K197-E241 IonicContact NZ-OE1 3.55Å; K197-E241 PolarHBondContact NZ-OE1 2.65Å
198S91.4Very high93.2Very high59 Ų5963.4 Ų63.441%0.41333%0.326SS..G310 helixtrans-77-10.9-179.270.80000114.3K194 G195 L196K194-S198 VanDerWaalsContact CB-OG 3.27Å; K194-S198 WeakPolarHBondContact CB-OG 3.44Å; G195-S198 WeakPolarHBondContact O-CB 3.42Å; G195-S198 PolarHBondContact O-N 2.88Å; G195-S198 VanDerWaalsContact O-N 3.09Å; G195-S198 PolarHBondContact O-OG 2.95Å; L196-S198 PolarHBondContact O-N 2.97Å
199V92.8Very high93.6Very high23 Ų2363.4 Ų63.414%0.13933%0.326CS..SBendtrans-121.47.3-176.7-56.10000113.5I183 D187 I191 L196 K197 W237I183-V199 HydrophobicContact CD1-CB 3.88Å; I183-V199 HydrophobicContact CD1-CG1 4.43Å; I183-V199 HydrophobicContact CD1-CG2 3.79Å; D187-V199 HydrophobicContact CB-CG1 4.01Å; D187-V199 WeakPolarHBondContact O-CG1 3.34Å; I191-V199 HydrophobicContact CD1-CG2 3.96Å; I191-V199 HydrophobicContact CG1-CG1 4.19Å; I191-V199 HydrophobicContact CG1-CG2 3.81Å; L196-V199 HydrophobicContact CD1-CG2 4.37Å; L196-V199 VanDerWaalsContact O-CG2 3.24Å; L196-V199 WeakPolarHBondContact O-CG2 3.31Å; L196-V199 PolarHBondContact O-N 3.23Å; K197-V199 VanDerWaalsContact C-N 3.26Å; K197-V199 PolarHBondContact O-N 3.25Å; V199-W237 HydrophobicContact CG2-CB 4.36Å
200V95Very high94.1Very high19 Ų1961.4 Ų61.412%0.11532%0.317CS..SBendtrans-126.3146.4-178.9-60.40000111.2M202 V205 W237 H238 E241V200-M202 HydrophobicContact CG2-SD 3.83Å; V200-M202 PolarHBondContact O-N 3.07Å; V200-V205 HydrophobicContact CG2-CG2 4.45Å; V200-W237 HydrophobicContact CG1-CB 3.93Å; V200-H238 HydrophobicContact CG1-CB 4.49Å; V200-E241 HydrophobicContact CG2-CB 4.33Å; V200-E241 HydrophobicContact CG2-CG 4.37Å
201D96.9Very high94.6Very high97 Ų9760.1 Ų60.152%0.51931%0.313SS..  trans-77.8102.1169.8-177.4-12.1000109.8S203 Q204 V205D201-S203 VanDerWaalsContact C-N 3.25Å; D201-S203 PolarHBondContact O-N 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 3.16Å; D201-S203 PolarHBondContact OD1-N 3.2Å; D201-Q204 HydrophobicContact CB-CB 4.06Å; D201-Q204 PolarHBondContact O-N 3.11Å; D201-Q204 PolarHBondContact OD1-N 2.97Å; D201-V205 WeakPolarHBondContact O-CG2 3.34Å; D201-V205 PolarHBondContact O-N 3.13Å
202M97.5Very high94.8Very high47 Ų4759.9 Ų59.923%0.23231%0.312CS..Hα-helixtrans-63.7-27.7-179.8-68.7-57.4-46.800113.5K197 V200 V205 E206 E241K197-M202 HydrophobicContact CB-SD 4.3Å; K197-M202 HydrophobicContact CD-SD 4.23Å; K197-M202 HydrophobicContact CG-SD 3.94Å; V200-M202 HydrophobicContact CG2-SD 3.83Å; V200-M202 PolarHBondContact O-N 3.07Å; M202-V205 HydrophobicContact CE-CB 4.31Å; M202-V205 HydrophobicContact CE-CG1 4.12Å; M202-V205 PolarHBondContact O-N 3.1Å; M202-E206 WeakPolarHBondContact O-CG 3.34Å; M202-E206 PolarHBondContact O-N 2.96Å; M202-E241 HydrophobicContact CE-CG 3.74Å; M202-E241 HydrophobicContact SD-CG 3.67Å
203S98.2Very high95.2Very high64 Ų6459.6 Ų59.645%0.44830%0.3SS..Hα-helixtrans-70.1-38.6176.5-172.90000110.7D201 Q207D201-S203 VanDerWaalsContact C-N 3.25Å; D201-S203 PolarHBondContact O-N 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 3.16Å; D201-S203 PolarHBondContact OD1-N 3.2Å; S203-Q207 WeakPolarHBondContact O-CG 3.47Å; S203-Q207 PolarHBondContact O-N 3.41Å; S203-Q207 VanDerWaalsContact O-N 3.15Å; S203-Q207 PolarHBondContact O-NE2 2.87Å
204Q98.5Very high95.3Very high53 Ų5354.5 Ų54.525%0.24828%0.281CS..Hα-helixtrans-68.6-38.4173-169.463.763.900111.5D201 E206 Q207 D208 R234D201-Q204 HydrophobicContact CB-CB 4.06Å; D201-Q204 PolarHBondContact O-N 3.11Å; D201-Q204 PolarHBondContact OD1-N 2.97Å; Q204-E206 VanDerWaalsContact C-N 3.35Å; Q204-E206 PolarHBondContact O-N 3.22Å; Q204-Q207 PolarHBondContact O-N 2.89Å; Q204-D208 PolarHBondContact NE2-OD1 3.17Å; Q204-D208 WeakPolarHBondContact O-CB 3.29Å; Q204-D208 PolarHBondContact O-N 3.39Å; Q204-R234 VanDerWaalsContact NE2-NH2 3.17Å
205V98.6Very high95.2Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-58.4-47.9175168.70000110.5V200 D201 M202 Q207 D208 V209 H238 E241 V242 L245V200-V205 HydrophobicContact CG2-CG2 4.45Å; D201-V205 WeakPolarHBondContact O-CG2 3.34Å; D201-V205 PolarHBondContact O-N 3.13Å; M202-V205 HydrophobicContact CE-CB 4.31Å; M202-V205 HydrophobicContact CE-CG1 4.12Å; M202-V205 PolarHBondContact O-N 3.1Å; V205-Q207 VanDerWaalsContact C-N 3.32Å; V205-Q207 PolarHBondContact O-N 2.95Å; V205-D208 PolarHBondContact O-N 3.31Å; V205-V209 HydrophobicContact CG1-CG2 4.46Å; V205-V209 WeakPolarHBondContact O-CG2 3.45Å; V205-V209 PolarHBondContact O-N 3.27Å; V205-H238 VanDerWaalsContact CG2-CE1 3.45Å; V205-H238 WeakPolarHBondContact CG2-CE1 3.49Å; V205-H238 PolarHBondContact N-CE1 3.05Å; V205-E241 HydrophobicContact CG1-CB 4.38Å; V205-E241 HydrophobicContact CG1-CG 3.98Å; V205-E241 HydrophobicContact CG2-CB 4.31Å; V205-E241 HydrophobicContact CG2-CG 4.31Å; V205-V242 HydrophobicContact CB-CG2 4.32Å; V205-V242 HydrophobicContact CG1-CG2 3.89Å; V205-V242 HydrophobicContact CG2-CG2 4.32Å; V205-L245 HydrophobicContact CG1-CB 4.43Å; V205-L245 HydrophobicContact CG1-CD2 3.94Å
206E98.5Very high94.7Very high108 Ų10845.9 Ų45.951%0.50524%0.235SC..Hα-helixtrans-59.4-42.8177.9-76170.7-176.300111.7M202 Q204 V209 E210 L245M202-E206 WeakPolarHBondContact O-CG 3.34Å; M202-E206 PolarHBondContact O-N 2.96Å; Q204-E206 VanDerWaalsContact C-N 3.35Å; Q204-E206 PolarHBondContact O-N 3.22Å; E206-V209 PolarHBondContact O-N 3.3Å; E206-E210 PolarHBondContact O-N 3.13Å; E206-L245 HydrophobicContact CG-CD2 3.73Å
207Q98.4Very high94.2Very high94 Ų9447.6 Ų47.644%0.43924%0.243SC..Hα-helixtrans-63.4-45.4176.3-71.2169.445.600112.3S203 Q204 V205 V209 E210 I211S203-Q207 WeakPolarHBondContact O-CG 3.47Å; S203-Q207 PolarHBondContact O-N 3.41Å; S203-Q207 VanDerWaalsContact O-N 3.15Å; S203-Q207 PolarHBondContact O-NE2 2.87Å; Q204-Q207 PolarHBondContact O-N 2.89Å; V205-Q207 VanDerWaalsContact C-N 3.32Å; V205-Q207 PolarHBondContact O-N 2.95Å; Q207-V209 VanDerWaalsContact C-N 3.31Å; Q207-V209 PolarHBondContact O-N 2.97Å; Q207-E210 PolarHBondContact O-N 3.17Å; Q207-I211 VanDerWaalsContact O-CG1 3.29Å; Q207-I211 WeakPolarHBondContact O-CG1 3.25Å; Q207-I211 PolarHBondContact O-N 3.35Å
208D98.3Very high92.9Very high0 Ų044.2 Ų44.20%024%0.235CC..Hα-helixtrans-69.8-30-178-74.68.2000111.8Q204 V205 I211 L212 I230 R234 H238 V242Q204-D208 PolarHBondContact NE2-OD1 3.17Å; Q204-D208 WeakPolarHBondContact O-CB 3.29Å; Q204-D208 PolarHBondContact O-N 3.39Å; V205-D208 PolarHBondContact O-N 3.31Å; D208-I211 PolarHBondContact O-N 3.49Å; D208-L212 WeakPolarHBondContact O-CB 3.39Å; D208-L212 VanDerWaalsContact O-CG 3.28Å; D208-L212 WeakPolarHBondContact O-CG 3.38Å; D208-L212 PolarHBondContact O-N 3.04Å; D208-I230 HydrophobicContact CB-CD1 4.01Å; D208-I230 HydrophobicContact CB-CG2 4.3Å; D208-R234 IonicContact OD1-NH2 3.1Å; D208-R234 PolarHBondContact OD1-NH2 2.81Å; D208-R234 IonicContact OD2-CZ 3.86Å; D208-R234 IonicContact OD2-NE 3.33Å; D208-R234 PolarHBondContact OD2-NE 2.74Å; D208-R234 IonicContact OD2-NH2 3.65Å; D208-R234 PolarHBondContact OD2-NH2 3.42Å; D208-R234 VanDerWaalsContact OD2-NH2 3.1Å; D208-H238 IonicContact OD2-CE1 3.17Å; D208-H238 IonicContact OD2-NE2 3.23Å; D208-H238 PolarHBondContact OD2-NE2 3.23Å; D208-V242 HydrophobicContact CB-CG2 4.24Å
209V98Very high92Very high0 Ų047.6 Ų47.60%024%0.244CC..Hα-helixtrans-62.5-45.6170.1166.70000111.4V205 E206 Q207 L212 W213 V242 L245 F246 K249 Y250V205-V209 HydrophobicContact CG1-CG2 4.46Å; V205-V209 WeakPolarHBondContact O-CG2 3.45Å; V205-V209 PolarHBondContact O-N 3.27Å; E206-V209 PolarHBondContact O-N 3.3Å; Q207-V209 VanDerWaalsContact C-N 3.31Å; Q207-V209 PolarHBondContact O-N 2.97Å; V209-L212 PolarHBondContact O-N 3.23Å; V209-W213 PolarHBondContact O-N 3Å; V209-V242 HydrophobicContact CG2-CB 4.3Å; V209-V242 HydrophobicContact CG2-CG1 3.88Å; V209-V242 HydrophobicContact CG2-CG2 4.47Å; V209-L245 HydrophobicContact CG2-CB 4.04Å; V209-L245 HydrophobicContact CG2-CD2 4.07Å; V209-L245 HydrophobicContact CG2-CG 4.13Å; V209-F246 HydrophobicContact CG1-CB 4.33Å; V209-F246 HydrophobicContact CG1-CD2 4.19Å; V209-F246 HydrophobicContact CG2-CB 4.35Å; V209-K249 HydrophobicContact CG1-CD 4.43Å; V209-Y250 HydrophobicContact CG1-CD2 4.49Å; V209-Y250 HydrophobicContact CG1-CE2 3.7Å
210E96.5Very high90.6Very high68 Ų6855.7 Ų55.732%0.31829%0.286SS..Hα-helixtrans-62.9-45175.2-59.3-42.5109.900111.2E206 Q207 L212 W213 D214 K249 Y250E206-E210 PolarHBondContact O-N 3.13Å; Q207-E210 PolarHBondContact O-N 3.17Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 3.15Å; E210-W213 PolarHBondContact O-N 3.34Å; E210-D214 WeakPolarHBondContact O-CB 3.46Å; E210-D214 PolarHBondContact O-N 2.96Å; E210-K249 WeakPolarHBondContact OE1-CE 3.47Å; E210-K249 IonicContact OE1-NZ 3.94Å; E210-K249 PolarHBondContact OE1-NZ 3.11Å; E210-K249 IonicContact OE2-NZ 2.61Å; E210-K249 PolarHBondContact OE2-NZ 3.03Å; E210-Y250 PolarHBondContact OE1-OH 3.44Å; E210-Y250 PolarHBondContact OE2-OH 3.3Å
211I96.2Very high89.4Confident50 Ų5057 Ų5726%0.25630%0.303SS..Hα-helixtrans-60.8-43.4-178.9-67.8163.5000110.6Q207 D208 W213 D214 A215 A226 I230Q207-I211 VanDerWaalsContact O-CG1 3.29Å; Q207-I211 WeakPolarHBondContact O-CG1 3.25Å; Q207-I211 PolarHBondContact O-N 3.35Å; D208-I211 PolarHBondContact O-N 3.49Å; I211-W213 VanDerWaalsContact C-N 3.34Å; I211-D214 PolarHBondContact O-N 3.19Å; I211-A215 WeakPolarHBondContact O-CB 3.13Å; I211-A215 PolarHBondContact O-N 3.05Å; I211-A226 HydrophobicContact CG2-CB 3.93Å; I211-I230 HydrophobicContact CB-CD1 3.88Å; I211-I230 HydrophobicContact CG2-CD1 3.55Å
212L95.9Very high88.6Confident1 Ų153.6 Ų53.61%0.00529%0.286CS..Hα-helixtrans-67.8-34.6178.6-73169.3000112.5D208 V209 E210 G216 I227 I230 V242 F246 L254D208-L212 WeakPolarHBondContact O-CB 3.39Å; D208-L212 VanDerWaalsContact O-CG 3.28Å; D208-L212 WeakPolarHBondContact O-CG 3.38Å; D208-L212 PolarHBondContact O-N 3.04Å; V209-L212 PolarHBondContact O-N 3.23Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 3.15Å; L212-G216 PolarHBondContact O-N 3.39Å; L212-I227 HydrophobicContact CD2-CG1 4.13Å; L212-I230 HydrophobicContact CD1-CG2 4.01Å; L212-I230 HydrophobicContact CD2-CB 4.37Å; L212-I230 HydrophobicContact CD2-CD1 4.18Å; L212-I230 HydrophobicContact CD2-CG2 4.38Å; L212-I230 HydrophobicContact CG-CD1 3.96Å; L212-I230 HydrophobicContact CG-CG2 4.34Å; L212-V242 HydrophobicContact CD1-CG1 3.55Å; L212-F246 HydrophobicContact CB-CD2 4.43Å; L212-F246 HydrophobicContact CB-CE2 4.18Å; L212-L254 HydrophobicContact CB-CD1 4.27Å; L212-L254 HydrophobicContact CD1-CD1 3.94Å; L212-L254 HydrophobicContact CD1-CD2 4.02Å
213W93.5Very high88.3Confident65 Ų6555.3 Ų55.325%0.24630%0.296CS..Hα-helixtrans-66.5-46173.9177.2-96.7000111.5V209 E210 I211 A215 G216 E217 A218 F246 Y250V209-W213 PolarHBondContact O-N 3Å; E210-W213 PolarHBondContact O-N 3.34Å; I211-W213 VanDerWaalsContact C-N 3.34Å; W213-A215 VanDerWaalsContact C-N 3.32Å; W213-A215 PolarHBondContact O-N 2.82Å; W213-G216 PolarHBondContact O-N 3.38Å; W213-E217 HydrophobicContact CD2-CB 4.12Å; W213-E217 HydrophobicContact CE3-CB 3.87Å; W213-E217 HydrophobicContact CE3-CG 3.96Å; W213-E217 HydrophobicContact CH2-CB 3.67Å; W213-E217 HydrophobicContact CH2-CG 4.09Å; W213-E217 HydrophobicContact CZ2-CB 3.91Å; W213-E217 HydrophobicContact CZ3-CB 3.65Å; W213-E217 HydrophobicContact CZ3-CG 3.64Å; W213-E217 PolarHBondContact O-N 2.93Å; W213-A218 PolarHBondContact O-N 3.42Å; W213-A218 VanDerWaalsContact O-N 3.15Å; W213-F246 HydrophobicContact CB-CE2 4.1Å; W213-F246 HydrophobicContact CE3-CE1 4.47Å; W213-F246 HydrophobicContact CE3-CE2 4.24Å; W213-F246 AromaticContact CE3-CZ 3.79Å; W213-F246 HydrophobicContact CE3-CZ 3.79Å; W213-F246 HydrophobicContact CZ3-CZ 4.43Å; W213-Y250 HydrophobicContact CB-CD2 4.38Å; W213-Y250 HydrophobicContact CB-CE1 4.23Å; W213-Y250 HydrophobicContact CB-CE2 3.61Å; W213-Y250 WeakPolarHBondContact CB-OH 3.41Å; W213-Y250 AromaticContact CD1-CE1 3.84Å; W213-Y250 AromaticContact CD1-CZ 3.87Å; W213-Y250 AromaticContact CD2-CD1 3.48Å; W213-Y250 HydrophobicContact CD2-CD1 3.48Å; W213-Y250 VanDerWaalsContact CD2-CD1 3.48Å; W213-Y250 HydrophobicContact CD2-CD2 4.02Å; W213-Y250 AromaticContact CD2-CE1 3.35Å; W213-Y250 HydrophobicContact CD2-CE1 3.35Å; W213-Y250 AromaticContact CD2-CE2 3.92Å; W213-Y250 HydrophobicContact CD2-CE2 3.92Å; W213-Y250 AromaticContact CD2-CG 3.82Å; W213-Y250 HydrophobicContact CD2-CG 3.82Å; W213-Y250 AromaticContact CD2-CZ 3.58Å; W213-Y250 AromaticContact CE2-CD1 3.72Å; W213-Y250 AromaticContact CE2-CE1 3.61Å; W213-Y250 AromaticContact CE3-CD1 3.45Å; W213-Y250 HydrophobicContact CE3-CD1 3.45Å; W213-Y250 VanDerWaalsContact CE3-CD1 3.45Å; W213-Y250 AromaticContact CE3-CD2 3.56Å; W213-Y250 HydrophobicContact CE3-CD2 3.56Å; W213-Y250 AromaticContact CE3-CE1 3.81Å; W213-Y250 HydrophobicContact CE3-CE1 3.81Å; W213-Y250 AromaticContact CE3-CE2 3.92Å; W213-Y250 HydrophobicContact CE3-CE2 3.92Å; W213-Y250 AromaticContact CE3-CG 3.31Å; W213-Y250 HydrophobicContact CE3-CG 3.31Å; W213-Y250 HydrophobicContact CG-CD1 4.15Å; W213-Y250 HydrophobicContact CG-CD2 4.37Å; W213-Y250 AromaticContact CG-CE1 3.52Å; W213-Y250 HydrophobicContact CG-CE1 3.52Å; W213-Y250 AromaticContact CG-CE2 3.79Å; W213-Y250 HydrophobicContact CG-CE2 3.79Å; W213-Y250 AromaticContact CG-CZ 3.31Å; W213-Y250 AromaticContact CH2-CD1 3.92Å; W213-Y250 HydrophobicContact CH2-CD1 3.92Å; W213-Y250 HydrophobicContact CH2-CG 4.23Å; W213-Y250 AromaticContact CZ2-CD1 3.95Å; W213-Y250 HydrophobicContact CZ2-CD1 3.95Å; W213-Y250 HydrophobicContact CZ2-CE1 4.25Å; W213-Y250 AromaticContact CZ3-CD1 3.68Å; W213-Y250 HydrophobicContact CZ3-CD1 3.68Å; W213-Y250 HydrophobicContact CZ3-CD2 4.22Å; W213-Y250 HydrophobicContact CZ3-CE1 4.42Å; W213-Y250 AromaticContact CZ3-CG 3.56Å; W213-Y250 HydrophobicContact CZ3-CG 3.56Å; W213-Y250 AromaticContact NE1-CE1 3.87Å
214D91.6Very high88Confident75 Ų7554.1 Ų54.140%0.40128%0.283SS..Hα-helixtrans-67.8-34.1179.6-71.1-15.2000112.1E210 I211 G216 H219E210-D214 WeakPolarHBondContact O-CB 3.46Å; E210-D214 PolarHBondContact O-N 2.96Å; I211-D214 PolarHBondContact O-N 3.19Å; D214-G216 VanDerWaalsContact C-N 3.26Å; D214-G216 PolarHBondContact O-N 3.08Å; D214-H219 PolarHBondContact O-CD2 2.6Å; D214-H219 VanDerWaalsContact O-CD2 3.31Å
215A89.1Confident87.8Confident4 Ų456.5 Ų56.53%0.03330%0.298CS..THydrogen-bonded Turntrans-72.9-13.2178.200000114.2I211 W213 T222 D223 A226 I227I211-A215 WeakPolarHBondContact O-CB 3.13Å; I211-A215 PolarHBondContact O-N 3.05Å; W213-A215 VanDerWaalsContact C-N 3.32Å; W213-A215 PolarHBondContact O-N 2.82Å; A215-T222 CarbonylContact O-C 3.54Å; A215-T222 VanDerWaalsContact O-CA 3.23Å; A215-T222 WeakPolarHBondContact O-CA 3.23Å; A215-T222 WeakPolarHBondContact O-CG2 3.41Å; A215-D223 HydrophobicContact CB-CB 3.79Å; A215-D223 PolarHBondContact O-N 2.76Å; A215-A226 HydrophobicContact CB-CB 4.2Å; A215-I227 HydrophobicContact CB-CD1 4.32Å; A215-I227 HydrophobicContact CB-CG1 3.98Å
216G79.6Confident87.7Confident1 Ų157 Ų571%0.0130%0.301CS..THydrogen-bonded Turntrans-125.3-79179.900000112.3L212 W213 D214L212-G216 PolarHBondContact O-N 3.39Å; W213-G216 PolarHBondContact O-N 3.38Å; D214-G216 VanDerWaalsContact C-N 3.26Å; D214-G216 PolarHBondContact O-N 3.08Å
217E79.9Confident87.6Confident61 Ų6151.8 Ų51.829%0.28528%0.277SS..THydrogen-bonded Turntrans-80.3-23.6-164.4-59.3-81168.800114.1W213 K252 S257 S260W213-E217 HydrophobicContact CD2-CB 4.12Å; W213-E217 HydrophobicContact CE3-CB 3.87Å; W213-E217 HydrophobicContact CE3-CG 3.96Å; W213-E217 HydrophobicContact CH2-CB 3.67Å; W213-E217 HydrophobicContact CH2-CG 4.09Å; W213-E217 HydrophobicContact CZ2-CB 3.91Å; W213-E217 HydrophobicContact CZ3-CB 3.65Å; W213-E217 HydrophobicContact CZ3-CG 3.64Å; W213-E217 PolarHBondContact O-N 2.93Å; E217-K252 IonicContact OE1-NZ 3.95Å; E217-K252 PolarHBondContact OE1-NZ 2.78Å; E217-K252 IonicContact OE2-NZ 2.54Å; E217-S257 WeakPolarHBondContact CG-OG 3.45Å; E217-S257 PolarHBondContact OE1-OG 2.85Å; E217-S260 PolarHBondContact OE1-OG 2.69Å
218A67.1Low87.6Confident40 Ų4047.9 Ų47.933%0.33126%0.259SS..THydrogen-bonded Turntrans-78.3-20.4-173.500000113.7W213W213-A218 PolarHBondContact O-N 3.42Å; W213-A218 VanDerWaalsContact O-N 3.15Å
219H71.3Confident87.6Confident130 Ų13054.7 Ų54.760%0.60229%0.285SS*.SBendtrans-133.3162.8-168.2-65.1-33000112.4D214 G221D214-H219 PolarHBondContact O-CD2 2.6Å; D214-H219 VanDerWaalsContact O-CD2 3.31Å; H219-G221 PolarHBondContact O-N 3.31Å
220L64.3Low87.6Confident193 Ų19354.7 Ų54.7100%1.0129%0.285SS*.SBendtrans-84.8105.1176.3-124.2156.2000108
221G68.9Low87.6Confident46 Ų4651.5 Ų51.547%0.47427%0.27SS..SBendtrans105.1166.3-171.800000111.7H219H219-G221 PolarHBondContact O-N 3.31Å
222T81.2Confident87.7Confident26 Ų2649.5 Ų49.516%0.1626%0.261CS..  trans-112.7139.5-172.7-49.50000109.7A215 E224 I227 E261 T262A215-T222 CarbonylContact O-C 3.54Å; A215-T222 VanDerWaalsContact O-CA 3.23Å; A215-T222 WeakPolarHBondContact O-CA 3.23Å; A215-T222 WeakPolarHBondContact O-CG2 3.41Å; T222-E224 HydrophobicContact CG2-CG 4.18Å; T222-E224 PolarHBondContact O-N 3.41Å; T222-I227 HydrophobicContact CG2-CD1 3.35Å; T222-E261 HydrophobicContact CG2-CB 4.27Å; T222-E261 PolarHBondContact OG1-O 2.97Å; T222-E261 VanDerWaalsContact OG1-O 3.12Å; T222-T262 HydrophobicContact CG2-CG2 4.45Å
223D90Very high87.8Confident82 Ų8250.5 Ų50.544%0.43927%0.271SS..  trans-91.881.9169.6-174.2-18.8000108.5A215 D225 A226 I227A215-D223 HydrophobicContact CB-CB 3.79Å; A215-D223 PolarHBondContact O-N 2.76Å; D223-D225 PolarHBondContact O-N 3.47Å; D223-D225 PolarHBondContact OD1-N 2.93Å; D223-A226 HydrophobicContact CB-CB 4.12Å; D223-A226 VanDerWaalsContact CG-CB 3.49Å; D223-A226 PolarHBondContact O-N 3.07Å; D223-A226 WeakPolarHBondContact OD1-CB 3.17Å; D223-A226 PolarHBondContact OD1-N 3.18Å; D223-I227 WeakPolarHBondContact O-CG1 3.47Å; D223-I227 PolarHBondContact O-N 3.33Å
224E93.1Very high88Confident40 Ų4049.8 Ų49.819%0.18727%0.268CS..Hα-helixtrans-63.1-30.7-176.4-61.492.2165.800112.3Y167 T222 I227 I228 F266Y167-E224 HydrophobicContact CD1-CB 3.59Å; Y167-E224 HydrophobicContact CD1-CG 4.21Å; Y167-E224 HydrophobicContact CD2-CB 4.04Å; Y167-E224 HydrophobicContact CD2-CG 3.7Å; Y167-E224 HydrophobicContact CE1-CB 3.57Å; Y167-E224 HydrophobicContact CE1-CG 4.15Å; Y167-E224 HydrophobicContact CE2-CB 3.99Å; Y167-E224 HydrophobicContact CE2-CG 3.6Å; Y167-E224 WeakPolarHBondContact CE2-OE1 3.48Å; Y167-E224 WeakPolarHBondContact CE2-OE2 3.49Å; Y167-E224 HydrophobicContact CG-CB 3.83Å; Y167-E224 HydrophobicContact CG-CG 3.99Å; Y167-E224 PolarHBondContact OH-OE2 2.88Å; T222-E224 HydrophobicContact CG2-CG 4.18Å; T222-E224 PolarHBondContact O-N 3.41Å; E224-I227 PolarHBondContact O-N 2.89Å; E224-I228 WeakPolarHBondContact O-CB 3.35Å; E224-I228 WeakPolarHBondContact O-CG1 3.49Å; E224-I228 PolarHBondContact O-N 3.22Å; E224-F266 HydrophobicContact CB-CE1 4.15Å; E224-F266 HydrophobicContact CB-CZ 3.99Å; E224-F266 HydrophobicContact CG-CE1 3.68Å; E224-F266 HydrophobicContact CG-CZ 4.05Å
225D95Very high88.2Confident103 Ų10346.7 Ų46.755%0.55125%0.252SS*.Hα-helixtrans-64.4-44.7177.3-76.6-28.3000111.3Q170 D223 R229Q170-D225 PolarHBondContact OE1-OD1 3.07Å; D223-D225 PolarHBondContact O-N 3.47Å; D223-D225 PolarHBondContact OD1-N 2.93Å; D225-R229 VanDerWaalsContact O-CB 3.29Å; D225-R229 WeakPolarHBondContact O-CB 3.12Å; D225-R229 PolarHBondContact O-N 2.99Å
226A95.8Very high88.5Confident9 Ų948.2 Ų48.27%0.07426%0.261CS..Hα-helixtrans-63-43.3176.200000111.6I211 A215 D223 R229 I230I211-A226 HydrophobicContact CG2-CB 3.93Å; A215-A226 HydrophobicContact CB-CB 4.2Å; D223-A226 HydrophobicContact CB-CB 4.12Å; D223-A226 VanDerWaalsContact CG-CB 3.49Å; D223-A226 PolarHBondContact O-N 3.07Å; D223-A226 WeakPolarHBondContact OD1-CB 3.17Å; D223-A226 PolarHBondContact OD1-N 3.18Å; A226-R229 PolarHBondContact O-N 2.95Å; A226-I230 WeakPolarHBondContact O-CG1 3.36Å; A226-I230 PolarHBondContact O-N 3.11Å; A226-I230 VanDerWaalsContact O-N 3.12Å
227I96.6Very high89.2Confident0 Ų048.7 Ų48.70%026%0.263CS..Hα-helixtrans-62.2-50.8177.2-68.9167.8000110.6L212 A215 T222 D223 E224 R229 I230 V231 L258 L270L212-I227 HydrophobicContact CD2-CG1 4.13Å; A215-I227 HydrophobicContact CB-CD1 4.32Å; A215-I227 HydrophobicContact CB-CG1 3.98Å; T222-I227 HydrophobicContact CG2-CD1 3.35Å; D223-I227 WeakPolarHBondContact O-CG1 3.47Å; D223-I227 PolarHBondContact O-N 3.33Å; E224-I227 PolarHBondContact O-N 2.89Å; I227-R229 VanDerWaalsContact C-N 3.33Å; I227-R229 PolarHBondContact O-N 3.41Å; I227-I230 PolarHBondContact O-N 3.29Å; I227-V231 HydrophobicContact CG2-CG2 4.28Å; I227-V231 WeakPolarHBondContact O-CB 3.5Å; I227-V231 WeakPolarHBondContact O-CG2 3.33Å; I227-V231 PolarHBondContact O-N 2.91Å; I227-L258 HydrophobicContact CD1-CD2 3.82Å; I227-L258 HydrophobicContact CG1-CD2 4.1Å; I227-L258 HydrophobicContact CG2-CD2 4.14Å; I227-L270 HydrophobicContact CG2-CD1 3.48Å; I227-L270 VanDerWaalsContact CG2-CD1 3.48Å; I227-L270 HydrophobicContact CG2-CD2 3.65Å; I227-L270 HydrophobicContact CG2-CG 4.2Å
228I97.6Very high90.1Very high12 Ų1246.4 Ų46.46%0.06225%0.252CS..Hα-helixtrans-58.3-46.9179.5-71.9166.9000110.1Y167 Q170 L171 A174 E224 I230 C232 F266Y167-I228 HydrophobicContact CD1-CD1 4.25Å; Q170-I228 HydrophobicContact CB-CD1 4.09Å; L171-I228 HydrophobicContact CB-CD1 4.24Å; L171-I228 HydrophobicContact CB-CG1 4.15Å; A174-I228 HydrophobicContact CB-CG2 4.1Å; E224-I228 WeakPolarHBondContact O-CB 3.35Å; E224-I228 WeakPolarHBondContact O-CG1 3.49Å; E224-I228 PolarHBondContact O-N 3.22Å; I228-I230 VanDerWaalsContact C-N 3.34Å; I228-I230 PolarHBondContact O-N 2.86Å; I228-C232 WeakPolarHBondContact O-CB 3.43Å; I228-C232 PolarHBondContact O-N 2.92Å; I228-C232 PolarHBondContact O-SG 3.48Å; I228-C232 VanDerWaalsContact O-SG 3.41Å; I228-F266 HydrophobicContact CD1-CE2 3.87Å; I228-F266 HydrophobicContact CD1-CZ 4.26Å; I228-F266 HydrophobicContact CG1-CE2 3.79Å; I228-F266 HydrophobicContact CG1-CZ 4.1Å
229R97.7Very high91.5Very high142 Ų14244.5 Ų44.554%0.53624%0.236SC..Hα-helixtrans-57.6-45.4179.6-178.5-175.163.5141.62112.1D225 A226 I227 G233D225-R229 VanDerWaalsContact O-CB 3.29Å; D225-R229 WeakPolarHBondContact O-CB 3.12Å; D225-R229 PolarHBondContact O-N 2.99Å; A226-R229 PolarHBondContact O-N 2.95Å; I227-R229 VanDerWaalsContact C-N 3.33Å; I227-R229 PolarHBondContact O-N 3.41Å; R229-G233 VanDerWaalsContact O-CA 3.28Å; R229-G233 WeakPolarHBondContact O-CA 3.32Å; R229-G233 PolarHBondContact O-N 3.49Å
230I98.2Very high92.7Very high1 Ų139 Ų391%0.00521%0.211CC..Hα-helixtrans-73.8-51.7-178.3-67.4170.9000110.3D208 I211 L212 A226 I227 I228 C232 G233 R234 L239D208-I230 HydrophobicContact CB-CD1 4.01Å; D208-I230 HydrophobicContact CB-CG2 4.3Å; I211-I230 HydrophobicContact CB-CD1 3.88Å; I211-I230 HydrophobicContact CG2-CD1 3.55Å; L212-I230 HydrophobicContact CD1-CG2 4.01Å; L212-I230 HydrophobicContact CD2-CB 4.37Å; L212-I230 HydrophobicContact CD2-CD1 4.18Å; L212-I230 HydrophobicContact CD2-CG2 4.38Å; L212-I230 HydrophobicContact CG-CD1 3.96Å; L212-I230 HydrophobicContact CG-CG2 4.34Å; A226-I230 WeakPolarHBondContact O-CG1 3.36Å; A226-I230 PolarHBondContact O-N 3.11Å; A226-I230 VanDerWaalsContact O-N 3.12Å; I227-I230 PolarHBondContact O-N 3.29Å; I228-I230 VanDerWaalsContact C-N 3.34Å; I228-I230 PolarHBondContact O-N 2.86Å; I230-C232 PolarHBondContact O-N 3.43Å; I230-G233 PolarHBondContact O-N 2.84Å; I230-R234 HydrophobicContact CG2-CG 4.03Å; I230-R234 WeakPolarHBondContact O-CB 3.24Å; I230-R234 WeakPolarHBondContact O-CG 3.27Å; I230-R234 PolarHBondContact O-N 3.41Å; I230-L239 HydrophobicContact CG2-CD2 4.07Å
231V97.8Very high94.2Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-68.7-34.8-173.5175.30000112.2R180 I227 L258 L270 I273R180-V231 VanDerWaalsContact CZ-O 3.23Å; R180-V231 PolarHBondContact NH1-O 2.66Å; R180-V231 PolarHBondContact NH2-O 3.18Å; I227-V231 HydrophobicContact CG2-CG2 4.28Å; I227-V231 WeakPolarHBondContact O-CB 3.5Å; I227-V231 WeakPolarHBondContact O-CG2 3.33Å; I227-V231 PolarHBondContact O-N 2.91Å; V231-L258 HydrophobicContact CG2-CD1 4.44Å; V231-L270 HydrophobicContact CB-CD1 3.82Å; V231-L270 HydrophobicContact CG1-CD1 3.71Å; V231-L270 HydrophobicContact CG2-CD1 3.88Å; V231-I273 HydrophobicContact CG1-CB 3.94Å; V231-I273 HydrophobicContact CG1-CD1 4.4Å; V231-I273 HydrophobicContact CG1-CG2 3.56Å
232C98.1Very high95.6Very high9 Ų928 Ų286%0.06114%0.142CC..Hα-helixtrans-85.7-30.3176-59.20000113.1A174 L175 I228 I230A174-C232 HydrophobicContact CB-CB 4.2Å; L175-C232 HydrophobicContact CD2-CB 4.14Å; I228-C232 WeakPolarHBondContact O-CB 3.43Å; I228-C232 PolarHBondContact O-N 2.92Å; I228-C232 PolarHBondContact O-SG 3.48Å; I228-C232 VanDerWaalsContact O-SG 3.41Å; I230-C232 PolarHBondContact O-N 3.43Å
233G97.7Very high96.4Very high22 Ų2227.3 Ų27.323%0.22714%0.138CC..Hα-helixtrans-88.8-37-172.100000114.6D181 R229 I230D181-G233 WeakPolarHBondContact CB-O 3.35Å; D181-G233 VanDerWaalsContact CG-O 3.28Å; D181-G233 PolarHBondContact N-O 3.19Å; R229-G233 VanDerWaalsContact O-CA 3.28Å; R229-G233 WeakPolarHBondContact O-CA 3.32Å; R229-G233 PolarHBondContact O-N 3.49Å; I230-G233 PolarHBondContact O-N 2.84Å
234R98Very high96.7Very high50 Ų5028.2 Ų28.219%0.18914%0.14CC..SBendtrans-78.1155-173.1-65.7-55.6-172.3-137.9-6113.7R180 D181 Q204 D208 I230 H238 L239R180-R234 WeakPolarHBondContact CD-O 3.44Å; R180-R234 WeakPolarHBondContact CG-O 3.44Å; R180-R234 PolarHBondContact NH1-O 2.66Å; D181-R234 IonicContact OD2-NH1 2.65Å; Q204-R234 VanDerWaalsContact NE2-NH2 3.17Å; D208-R234 IonicContact OD1-NH2 3.1Å; D208-R234 PolarHBondContact OD1-NH2 2.81Å; D208-R234 IonicContact OD2-CZ 3.86Å; D208-R234 IonicContact OD2-NE 3.33Å; D208-R234 PolarHBondContact OD2-NE 2.74Å; D208-R234 IonicContact OD2-NH2 3.65Å; D208-R234 PolarHBondContact OD2-NH2 3.42Å; D208-R234 VanDerWaalsContact OD2-NH2 3.1Å; I230-R234 HydrophobicContact CG2-CG 4.03Å; I230-R234 WeakPolarHBondContact O-CB 3.24Å; I230-R234 WeakPolarHBondContact O-CG 3.27Å; I230-R234 PolarHBondContact O-N 3.41Å; R234-H238 HydrophobicContact CB-CB 4.2Å; R234-L239 HydrophobicContact CB-CD2 3.98Å; R234-L239 HydrophobicContact CB-CG 3.94Å
235S96.3Very high97Very high9 Ų927.9 Ų27.96%0.06314%0.139CC..  trans-66.5154.8177.673.50000111.3D181 W237 H238 L239D181-S235 WeakPolarHBondContact O-CA 3.39Å; D181-S235 WeakPolarHBondContact O-CB 3.46Å; S235-W237 PolarHBondContact O-N 3.48Å; S235-H238 WeakPolarHBondContact O-CB 3.38Å; S235-H238 PolarHBondContact O-N 3.49Å; S235-H238 VanDerWaalsContact O-N 3.09Å; S235-H238 WeakPolarHBondContact OG-CB 3.49Å; S235-H238 PolarHBondContact OG-N 2.93Å; S235-H238 VanDerWaalsContact OG-N 3.1Å; S235-L239 PolarHBondContact O-N 3.39Å
236V95.2Very high97.1Very high36 Ų3623 Ų2322%0.21811%0.112CC..Hα-helixtrans-50.5-43.9173.9170.60000110.7L239 Q240 C277V236-L239 PolarHBondContact O-N 2.91Å; V236-Q240 VanDerWaalsContact O-CG 3.3Å; V236-Q240 WeakPolarHBondContact O-CG 3.38Å; V236-Q240 PolarHBondContact O-N 2.94Å; V236-C277 HydrophobicContact CG1-CB 4.19Å; V236-C277 WeakPolarHBondContact CG1-O 3.45Å; V236-C277 HydrophobicContact CG2-CB 4.44Å
237W94.8Very high97.2Very high12 Ų1227.2 Ų27.25%0.04513%0.131CC..Hα-helixtrans-66.4-40.8-179.4-43.4109.7000112.6I9 I183 V188 I191 L196 V199 V200 S235 E241I9-W237 HydrophobicContact CB-CH2 4.21Å; I9-W237 HydrophobicContact CG2-CH2 4.17Å; I183-W237 HydrophobicContact CD1-CD2 4.31Å; I183-W237 HydrophobicContact CD1-CG 3.81Å; I183-W237 VanDerWaalsContact CG1-CD1 3.46Å; I183-W237 HydrophobicContact CG1-CG 4.45Å; V188-W237 HydrophobicContact CB-CZ2 4.13Å; V188-W237 HydrophobicContact CG1-CH2 3.61Å; V188-W237 HydrophobicContact CG1-CZ2 3.47Å; V188-W237 VanDerWaalsContact CG1-CZ2 3.47Å; V188-W237 HydrophobicContact CG2-CZ2 3.58Å; I191-W237 HydrophobicContact CD1-CD2 3.68Å; I191-W237 HydrophobicContact CD1-CE3 3.31Å; I191-W237 HydrophobicContact CD1-CG 4.41Å; I191-W237 HydrophobicContact CD1-CH2 4.03Å; I191-W237 HydrophobicContact CD1-CZ2 4.35Å; I191-W237 HydrophobicContact CD1-CZ3 3.5Å; L196-W237 HydrophobicContact CD1-CB 3.71Å; L196-W237 HydrophobicContact CD1-CD2 4.46Å; L196-W237 HydrophobicContact CD1-CE3 3.89Å; L196-W237 HydrophobicContact CD1-CG 4.45Å; V199-W237 HydrophobicContact CG2-CB 4.36Å; V200-W237 HydrophobicContact CG1-CB 3.93Å; S235-W237 PolarHBondContact O-N 3.48Å; W237-E241 PolarHBondContact O-N 2.98Å
238H97Very high97.3Very high12 Ų1234.9 Ų34.96%0.05616%0.164CC..Hα-helixtrans-64.7-46.6175.7-177.4102.6000110.8V200 V205 D208 R234 S235 Q240 E241 V242V200-H238 HydrophobicContact CG1-CB 4.49Å; V205-H238 VanDerWaalsContact CG2-CE1 3.45Å; V205-H238 WeakPolarHBondContact CG2-CE1 3.49Å; V205-H238 PolarHBondContact N-CE1 3.05Å; D208-H238 IonicContact OD2-CE1 3.17Å; D208-H238 IonicContact OD2-NE2 3.23Å; D208-H238 PolarHBondContact OD2-NE2 3.23Å; R234-H238 HydrophobicContact CB-CB 4.2Å; S235-H238 WeakPolarHBondContact O-CB 3.38Å; S235-H238 PolarHBondContact O-N 3.49Å; S235-H238 VanDerWaalsContact O-N 3.09Å; S235-H238 WeakPolarHBondContact OG-CB 3.49Å; S235-H238 PolarHBondContact OG-N 2.93Å; S235-H238 VanDerWaalsContact OG-N 3.1Å; H238-Q240 VanDerWaalsContact C-N 3.3Å; H238-Q240 PolarHBondContact O-N 3.36Å; H238-E241 PolarHBondContact O-N 3.44Å; H238-E241 VanDerWaalsContact O-N 3.15Å; H238-V242 VanDerWaalsContact CD2-CG2 3.4Å; H238-V242 WeakPolarHBondContact CD2-CG2 3.29Å; H238-V242 VanDerWaalsContact NE2-CG2 3.32Å; H238-V242 WeakPolarHBondContact NE2-CG2 3.18Å; H238-V242 WeakPolarHBondContact O-CG2 3.47Å; H238-V242 PolarHBondContact O-N 2.61Å
239L97.6Very high97.3Very high0 Ų039.6 Ų39.60%018%0.184CC..Hα-helixtrans-64.1-32.9179.6-70.4176.8000113.1R180 I230 R234 S235 V236 S243 C277R180-L239 VanDerWaalsContact NH1-CD1 3.29Å; I230-L239 HydrophobicContact CG2-CD2 4.07Å; R234-L239 HydrophobicContact CB-CD2 3.98Å; R234-L239 HydrophobicContact CB-CG 3.94Å; S235-L239 PolarHBondContact O-N 3.39Å; V236-L239 PolarHBondContact O-N 2.91Å; L239-S243 WeakPolarHBondContact O-CB 3.25Å; L239-S243 PolarHBondContact O-N 3.09Å; L239-C277 HydrophobicContact CB-CB 4.25Å; L239-C277 HydrophobicContact CD1-CB 4.22Å
240Q96.3Very high97.2Very high16 Ų1635.2 Ų35.28%0.07517%0.168CC..Hα-helixtrans-61.2-45.9171.9-74.9168.71.200112.1P11 L196 V236 H238 S243 H244 C277 L278P11-Q240 HydrophobicContact CB-CG 4.38Å; L196-Q240 HydrophobicContact CD2-CB 3.59Å; V236-Q240 VanDerWaalsContact O-CG 3.3Å; V236-Q240 WeakPolarHBondContact O-CG 3.38Å; V236-Q240 PolarHBondContact O-N 2.94Å; H238-Q240 VanDerWaalsContact C-N 3.3Å; H238-Q240 PolarHBondContact O-N 3.36Å; Q240-S243 PolarHBondContact O-N 2.93Å; Q240-H244 PolarHBondContact O-N 3.18Å; Q240-H244 VanDerWaalsContact O-N 3.08Å; Q240-C277 WeakPolarHBondContact CG-O 3.48Å; Q240-C277 PolarHBondContact NE2-O 3.36Å; Q240-L278 HydrophobicContact CB-CD2 4.44Å; Q240-L278 HydrophobicContact CG-CD2 4.11Å
241E96.6Very high97.1Very high7 Ų738.6 Ų38.63%0.03320%0.203CC..Hα-helixtrans-73.9-34.9178.7-17162.4-146.900112.2L196 K197 V200 M202 V205 W237 H238 H244 L245L196-E241 HydrophobicContact CD2-CB 4.07Å; K197-E241 WeakPolarHBondContact CE-OE1 3.29Å; K197-E241 WeakPolarHBondContact CE-OE2 3.37Å; K197-E241 IonicContact NZ-OE1 3.55Å; K197-E241 PolarHBondContact NZ-OE1 2.65Å; V200-E241 HydrophobicContact CG2-CB 4.33Å; V200-E241 HydrophobicContact CG2-CG 4.37Å; M202-E241 HydrophobicContact CE-CG 3.74Å; M202-E241 HydrophobicContact SD-CG 3.67Å; V205-E241 HydrophobicContact CG1-CB 4.38Å; V205-E241 HydrophobicContact CG1-CG 3.98Å; V205-E241 HydrophobicContact CG2-CB 4.31Å; V205-E241 HydrophobicContact CG2-CG 4.31Å; W237-E241 PolarHBondContact O-N 2.98Å; H238-E241 PolarHBondContact O-N 3.44Å; H238-E241 VanDerWaalsContact O-N 3.15Å; E241-H244 PolarHBondContact O-N 2.92Å; E241-H244 IonicContact OE1-ND1 2.72Å; E241-H244 IonicContact OE2-ND1 3.16Å; E241-L245 WeakPolarHBondContact O-CB 3.14Å; E241-L245 PolarHBondContact O-N 3.16Å
242V98.1Very high96.9Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-57.2-49.8170168.10000110.2V205 D208 V209 L212 H238 H244 L245 F246 L254V205-V242 HydrophobicContact CB-CG2 4.32Å; V205-V242 HydrophobicContact CG1-CG2 3.89Å; V205-V242 HydrophobicContact CG2-CG2 4.32Å; D208-V242 HydrophobicContact CB-CG2 4.24Å; V209-V242 HydrophobicContact CG2-CB 4.3Å; V209-V242 HydrophobicContact CG2-CG1 3.88Å; V209-V242 HydrophobicContact CG2-CG2 4.47Å; L212-V242 HydrophobicContact CD1-CG1 3.55Å; H238-V242 VanDerWaalsContact CD2-CG2 3.4Å; H238-V242 WeakPolarHBondContact CD2-CG2 3.29Å; H238-V242 VanDerWaalsContact NE2-CG2 3.32Å; H238-V242 WeakPolarHBondContact NE2-CG2 3.18Å; H238-V242 WeakPolarHBondContact O-CG2 3.47Å; H238-V242 PolarHBondContact O-N 2.61Å; V242-H244 VanDerWaalsContact C-N 3.34Å; V242-H244 PolarHBondContact O-N 2.82Å; V242-L245 PolarHBondContact O-N 2.94Å; V242-F246 WeakPolarHBondContact O-CB 3.42Å; V242-F246 PolarHBondContact O-N 3.2Å; V242-L254 HydrophobicContact CG1-CD2 4.08Å
243S97.7Very high96.8Very high12 Ų1242.7 Ų42.78%0.08422%0.223CC..Hα-helixtrans-60.1-43.6179.2-1750000112.2L239 Q240 E247L239-S243 WeakPolarHBondContact O-CB 3.25Å; L239-S243 PolarHBondContact O-N 3.09Å; Q240-S243 PolarHBondContact O-N 2.93Å; S243-E247 PolarHBondContact O-N 3.46Å; S243-E247 VanDerWaalsContact O-N 3.12Å
244H96.8Very high96.8Very high101 Ų10141.7 Ų41.747%0.46821%0.212SC..Hα-helixtrans-64.6-45.5178176.8-158.7000112Q240 E241 V242 K248Q240-H244 PolarHBondContact O-N 3.18Å; Q240-H244 VanDerWaalsContact O-N 3.08Å; E241-H244 PolarHBondContact O-N 2.92Å; E241-H244 IonicContact OE1-ND1 2.72Å; E241-H244 IonicContact OE2-ND1 3.16Å; V242-H244 VanDerWaalsContact C-N 3.34Å; V242-H244 PolarHBondContact O-N 2.82Å; H244-K248 WeakPolarHBondContact O-CB 3.33Å; H244-K248 PolarHBondContact O-N 3.06Å
245L97.8Very high96.7Very high32 Ų3240.6 Ų40.617%0.16821%0.211CC..Hα-helixtrans-69.5-38-179.8-177.661.4000112V205 E206 V209 E241 V242 K248 K249V205-L245 HydrophobicContact CG1-CB 4.43Å; V205-L245 HydrophobicContact CG1-CD2 3.94Å; E206-L245 HydrophobicContact CG-CD2 3.73Å; V209-L245 HydrophobicContact CG2-CB 4.04Å; V209-L245 HydrophobicContact CG2-CD2 4.07Å; V209-L245 HydrophobicContact CG2-CG 4.13Å; E241-L245 WeakPolarHBondContact O-CB 3.14Å; E241-L245 PolarHBondContact O-N 3.16Å; V242-L245 PolarHBondContact O-N 2.94Å; L245-K248 PolarHBondContact O-N 2.68Å; L245-K249 VanDerWaalsContact O-CB 3.3Å; L245-K249 WeakPolarHBondContact O-CB 3.18Å; L245-K249 PolarHBondContact O-N 3.28Å
246F98Very high96.6Very high0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-58.3-51.4175.7-171-79.5000110.9V209 L212 W213 V242 K248 K249 Y250 K252 L254V209-F246 HydrophobicContact CG1-CB 4.33Å; V209-F246 HydrophobicContact CG1-CD2 4.19Å; V209-F246 HydrophobicContact CG2-CB 4.35Å; L212-F246 HydrophobicContact CB-CD2 4.43Å; L212-F246 HydrophobicContact CB-CE2 4.18Å; W213-F246 HydrophobicContact CB-CE2 4.1Å; W213-F246 HydrophobicContact CE3-CE1 4.47Å; W213-F246 HydrophobicContact CE3-CE2 4.24Å; W213-F246 AromaticContact CE3-CZ 3.79Å; W213-F246 HydrophobicContact CE3-CZ 3.79Å; W213-F246 HydrophobicContact CZ3-CZ 4.43Å; V242-F246 WeakPolarHBondContact O-CB 3.42Å; V242-F246 PolarHBondContact O-N 3.2Å; F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 2.86Å; F246-K249 PolarHBondContact O-N 3.32Å; F246-Y250 HydrophobicContact CD1-CD2 4.2Å; F246-Y250 AromaticContact CD2-CD2 3.96Å; F246-Y250 HydrophobicContact CD2-CD2 3.96Å; F246-Y250 HydrophobicContact CD2-CE2 4.12Å; F246-Y250 HydrophobicContact CE1-CD2 4.25Å; F246-Y250 HydrophobicContact CE2-CD2 4.03Å; F246-Y250 HydrophobicContact CE2-CE2 4.21Å; F246-Y250 HydrophobicContact CG-CD2 4.05Å; F246-Y250 HydrophobicContact CZ-CD2 4.17Å; F246-Y250 WeakPolarHBondContact O-CD2 3.4Å; F246-Y250 PolarHBondContact O-N 3.37Å; F246-K252 WeakPolarHBondContact CD1-O 3.3Å; F246-L254 HydrophobicContact CB-CB 4.38Å; F246-L254 HydrophobicContact CD1-CB 4.08Å; F246-L254 HydrophobicContact CD1-CD1 4.43Å; F246-L254 HydrophobicContact CD2-CD1 3.97Å; F246-L254 HydrophobicContact CE1-CD1 4.46Å; F246-L254 HydrophobicContact CE2-CD1 3.99Å; F246-L254 HydrophobicContact CG-CB 4.18Å; F246-L254 HydrophobicContact CG-CD1 4.2Å; F246-L254 HydrophobicContact CZ-CD1 4.23Å
247E97.6Very high96.6Very high99 Ų9942.7 Ų42.746%0.46322%0.22SC..Hα-helixtrans-61.4-43.2178-173.3-180-175.100111.6S243 K249 G251 K252 T253S243-E247 PolarHBondContact O-N 3.46Å; S243-E247 VanDerWaalsContact O-N 3.12Å; E247-K249 VanDerWaalsContact C-N 3.3Å; E247-K249 PolarHBondContact O-N 2.84Å; E247-G251 VanDerWaalsContact O-CA 3.28Å; E247-G251 WeakPolarHBondContact O-CA 3.31Å; E247-G251 PolarHBondContact O-N 3.31Å; E247-K252 WeakPolarHBondContact CA-O 3.18Å; E247-T253 HydrophobicContact CG-CG2 4.36Å
248K98Very high96.6Very high161 Ų16142.2 Ų42.270%0.722%0.219SC*.Hα-helixtrans-61.4-37.9177-178.2-179.6176.1-174.60112.7H244 L245 F246H244-K248 WeakPolarHBondContact O-CB 3.33Å; H244-K248 PolarHBondContact O-N 3.06Å; L245-K248 PolarHBondContact O-N 2.68Å; F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 2.86Å
249K97.6Very high96.5Very high110 Ų11043.1 Ų43.148%0.47823%0.228SC..Hα-helixtrans-81.7-41.8-174.6-175.9168.3174.3171.70112.4V209 E210 L245 F246 E247V209-K249 HydrophobicContact CG1-CD 4.43Å; E210-K249 WeakPolarHBondContact OE1-CE 3.47Å; E210-K249 IonicContact OE1-NZ 3.94Å; E210-K249 PolarHBondContact OE1-NZ 3.11Å; E210-K249 IonicContact OE2-NZ 2.61Å; E210-K249 PolarHBondContact OE2-NZ 3.03Å; L245-K249 VanDerWaalsContact O-CB 3.3Å; L245-K249 WeakPolarHBondContact O-CB 3.18Å; L245-K249 PolarHBondContact O-N 3.28Å; F246-K249 PolarHBondContact O-N 3.32Å; E247-K249 VanDerWaalsContact C-N 3.3Å; E247-K249 PolarHBondContact O-N 2.84Å
250Y95.9Very high96.2Very high51 Ų5146.1 Ų46.120%0.225%0.249CC..Hα-helixtrans-109.3-10-170.7-58.5-67.2000114.2V209 E210 W213 F246 K252V209-Y250 HydrophobicContact CG1-CD2 4.49Å; V209-Y250 HydrophobicContact CG1-CE2 3.7Å; E210-Y250 PolarHBondContact OE1-OH 3.44Å; E210-Y250 PolarHBondContact OE2-OH 3.3Å; W213-Y250 HydrophobicContact CB-CD2 4.38Å; W213-Y250 HydrophobicContact CB-CE1 4.23Å; W213-Y250 HydrophobicContact CB-CE2 3.61Å; W213-Y250 WeakPolarHBondContact CB-OH 3.41Å; W213-Y250 AromaticContact CD1-CE1 3.84Å; W213-Y250 AromaticContact CD1-CZ 3.87Å; W213-Y250 AromaticContact CD2-CD1 3.48Å; W213-Y250 HydrophobicContact CD2-CD1 3.48Å; W213-Y250 VanDerWaalsContact CD2-CD1 3.48Å; W213-Y250 HydrophobicContact CD2-CD2 4.02Å; W213-Y250 AromaticContact CD2-CE1 3.35Å; W213-Y250 HydrophobicContact CD2-CE1 3.35Å; W213-Y250 AromaticContact CD2-CE2 3.92Å; W213-Y250 HydrophobicContact CD2-CE2 3.92Å; W213-Y250 AromaticContact CD2-CG 3.82Å; W213-Y250 HydrophobicContact CD2-CG 3.82Å; W213-Y250 AromaticContact CD2-CZ 3.58Å; W213-Y250 AromaticContact CE2-CD1 3.72Å; W213-Y250 AromaticContact CE2-CE1 3.61Å; W213-Y250 AromaticContact CE3-CD1 3.45Å; W213-Y250 HydrophobicContact CE3-CD1 3.45Å; W213-Y250 VanDerWaalsContact CE3-CD1 3.45Å; W213-Y250 AromaticContact CE3-CD2 3.56Å; W213-Y250 HydrophobicContact CE3-CD2 3.56Å; W213-Y250 AromaticContact CE3-CE1 3.81Å; W213-Y250 HydrophobicContact CE3-CE1 3.81Å; W213-Y250 AromaticContact CE3-CE2 3.92Å; W213-Y250 HydrophobicContact CE3-CE2 3.92Å; W213-Y250 AromaticContact CE3-CG 3.31Å; W213-Y250 HydrophobicContact CE3-CG 3.31Å; W213-Y250 HydrophobicContact CG-CD1 4.15Å; W213-Y250 HydrophobicContact CG-CD2 4.37Å; W213-Y250 AromaticContact CG-CE1 3.52Å; W213-Y250 HydrophobicContact CG-CE1 3.52Å; W213-Y250 AromaticContact CG-CE2 3.79Å; W213-Y250 HydrophobicContact CG-CE2 3.79Å; W213-Y250 AromaticContact CG-CZ 3.31Å; W213-Y250 AromaticContact CH2-CD1 3.92Å; W213-Y250 HydrophobicContact CH2-CD1 3.92Å; W213-Y250 HydrophobicContact CH2-CG 4.23Å; W213-Y250 AromaticContact CZ2-CD1 3.95Å; W213-Y250 HydrophobicContact CZ2-CD1 3.95Å; W213-Y250 HydrophobicContact CZ2-CE1 4.25Å; W213-Y250 AromaticContact CZ3-CD1 3.68Å; W213-Y250 HydrophobicContact CZ3-CD1 3.68Å; W213-Y250 HydrophobicContact CZ3-CD2 4.22Å; W213-Y250 HydrophobicContact CZ3-CE1 4.42Å; W213-Y250 AromaticContact CZ3-CG 3.56Å; W213-Y250 HydrophobicContact CZ3-CG 3.56Å; W213-Y250 AromaticContact NE1-CE1 3.87Å; F246-Y250 HydrophobicContact CD1-CD2 4.2Å; F246-Y250 AromaticContact CD2-CD2 3.96Å; F246-Y250 HydrophobicContact CD2-CD2 3.96Å; F246-Y250 HydrophobicContact CD2-CE2 4.12Å; F246-Y250 HydrophobicContact CE1-CD2 4.25Å; F246-Y250 HydrophobicContact CE2-CD2 4.03Å; F246-Y250 HydrophobicContact CE2-CE2 4.21Å; F246-Y250 HydrophobicContact CG-CD2 4.05Å; F246-Y250 HydrophobicContact CZ-CD2 4.17Å; F246-Y250 WeakPolarHBondContact O-CD2 3.4Å; F246-Y250 PolarHBondContact O-N 3.37Å; Y250-K252 PolarHBondContact O-N 3.48Å
251G95.8Very high96Very high71 Ų7148.2 Ų48.273%0.73226%0.259SS*.SBendtrans7114.5178.700000114.5E247E247-G251 VanDerWaalsContact O-CA 3.28Å; E247-G251 WeakPolarHBondContact O-CA 3.31Å; E247-G251 PolarHBondContact O-N 3.31Å
252K94.6Very high95.8Very high61 Ų6148.5 Ų48.527%0.26526%0.261SS..SBendtrans-130.3139.8174.5-172.2178.2-177.5-171.60108.1E217 F246 E247 Y250 D256 S260E217-K252 IonicContact OE1-NZ 3.95Å; E217-K252 PolarHBondContact OE1-NZ 2.78Å; E217-K252 IonicContact OE2-NZ 2.54Å; F246-K252 WeakPolarHBondContact CD1-O 3.3Å; E247-K252 WeakPolarHBondContact CA-O 3.18Å; Y250-K252 PolarHBondContact O-N 3.48Å; K252-D256 WeakPolarHBondContact CE-O 3.49Å; K252-D256 HydrophobicContact CG-CB 4.17Å; K252-D256 PolarHBondContact NZ-O 2.96Å; K252-S260 PolarHBondContact NZ-OG 3.46Å
253T96.6Very high95.6Very high35 Ų3552.8 Ų52.822%0.21529%0.291CS..  trans-67.8149.8177.776.60000110.1E247 V255 D256 S257E247-T253 HydrophobicContact CG-CG2 4.36Å; T253-V255 PolarHBondContact O-N 3.03Å; T253-D256 PolarHBondContact O-N 3.13Å; T253-D256 WeakPolarHBondContact OG1-CB 3.5Å; T253-D256 PolarHBondContact OG1-N 3.48Å; T253-D256 PolarHBondContact OG1-OD2 2.95Å; T253-S257 PolarHBondContact O-N 3.41Å
254L96.4Very high95.5Very high1 Ų154.5 Ų54.51%0.00531%0.311CS..Hα-helixtrans-60.5-37.7175.8177.961.2000111.5L212 V242 F246 S257 L258 L274L212-L254 HydrophobicContact CB-CD1 4.27Å; L212-L254 HydrophobicContact CD1-CD1 3.94Å; L212-L254 HydrophobicContact CD1-CD2 4.02Å; V242-L254 HydrophobicContact CG1-CD2 4.08Å; F246-L254 HydrophobicContact CB-CB 4.38Å; F246-L254 HydrophobicContact CD1-CB 4.08Å; F246-L254 HydrophobicContact CD1-CD1 4.43Å; F246-L254 HydrophobicContact CD2-CD1 3.97Å; F246-L254 HydrophobicContact CE1-CD1 4.46Å; F246-L254 HydrophobicContact CE2-CD1 3.99Å; F246-L254 HydrophobicContact CG-CB 4.18Å; F246-L254 HydrophobicContact CG-CD1 4.2Å; F246-L254 HydrophobicContact CZ-CD1 4.23Å; L254-S257 PolarHBondContact O-N 3.33Å; L254-L258 HydrophobicContact CD1-CD1 3.96Å; L254-L258 HydrophobicContact CD1-CD2 4.49Å; L254-L258 HydrophobicContact CD1-CG 3.97Å; L254-L258 HydrophobicContact CG-CD1 4.05Å; L254-L258 HydrophobicContact CG-CG 4.42Å; L254-L258 WeakPolarHBondContact O-CG 3.34Å; L254-L258 PolarHBondContact O-N 3.44Å; L254-L274 HydrophobicContact CB-CD2 4.35Å; L254-L274 HydrophobicContact CD2-CD1 4.04Å; L254-L274 HydrophobicContact CD2-CD2 3.87Å; L254-L274 HydrophobicContact CG-CD2 3.77Å
255V96.3Very high95.6Very high26 Ų2652.8 Ų52.816%0.15831%0.305CS..Hα-helixtrans-59.8-50.7176.7175.90000110.7T253 S257 L258 A259 L271 L274 L278T253-V255 PolarHBondContact O-N 3.03Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.11Å; V255-L258 PolarHBondContact O-N 3.32Å; V255-A259 VanDerWaalsContact O-CB 3.25Å; V255-A259 WeakPolarHBondContact O-CB 3.28Å; V255-A259 PolarHBondContact O-N 3.19Å; V255-L271 HydrophobicContact CG1-CD2 4.15Å; V255-L274 HydrophobicContact CB-CD2 4.48Å; V255-L274 HydrophobicContact CG2-CD2 3.65Å; V255-L274 HydrophobicContact CG2-CG 4.1Å; V255-L278 HydrophobicContact CG2-CD1 3.84Å
256D95Very high95.6Very high89 Ų8952.1 Ų52.148%0.47630%0.301SS..Hα-helixtrans-67.3-31.2-179.4-63.2-37.5000112.4K252 T253 S260K252-D256 WeakPolarHBondContact CE-O 3.49Å; K252-D256 HydrophobicContact CG-CB 4.17Å; K252-D256 PolarHBondContact NZ-O 2.96Å; T253-D256 PolarHBondContact O-N 3.13Å; T253-D256 WeakPolarHBondContact OG1-CB 3.5Å; T253-D256 PolarHBondContact OG1-N 3.48Å; T253-D256 PolarHBondContact OG1-OD2 2.95Å; D256-S260 PolarHBondContact O-N 2.99Å; D256-S260 PolarHBondContact O-OG 3.38Å
257S94.6Very high95.5Very high1 Ų154.7 Ų54.71%0.00731%0.313CS..Hα-helixtrans-68.1-50.6176.2-173.90000111E217 T253 L254 V255 A259 S260 E261E217-S257 WeakPolarHBondContact CG-OG 3.45Å; E217-S257 PolarHBondContact OE1-OG 2.85Å; T253-S257 PolarHBondContact O-N 3.41Å; L254-S257 PolarHBondContact O-N 3.33Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.11Å; S257-A259 VanDerWaalsContact C-N 3.3Å; S257-A259 PolarHBondContact O-N 2.86Å; S257-S260 PolarHBondContact O-N 3.2Å; S257-S260 PolarHBondContact O-OG 3.33Å; S257-E261 WeakPolarHBondContact O-CG 3.25Å; S257-E261 PolarHBondContact O-N 2.89Å
258L94.1Very high95.6Very high2 Ų252.4 Ų52.41%0.0131%0.308CS..Hα-helixtrans-65.5-34.6177.7-64.4177.5000112.3I227 V231 L254 V255 S260 E261 T262 L270 L271 L274I227-L258 HydrophobicContact CD1-CD2 3.82Å; I227-L258 HydrophobicContact CG1-CD2 4.1Å; I227-L258 HydrophobicContact CG2-CD2 4.14Å; V231-L258 HydrophobicContact CG2-CD1 4.44Å; L254-L258 HydrophobicContact CD1-CD1 3.96Å; L254-L258 HydrophobicContact CD1-CD2 4.49Å; L254-L258 HydrophobicContact CD1-CG 3.97Å; L254-L258 HydrophobicContact CG-CD1 4.05Å; L254-L258 HydrophobicContact CG-CG 4.42Å; L254-L258 WeakPolarHBondContact O-CG 3.34Å; L254-L258 PolarHBondContact O-N 3.44Å; V255-L258 PolarHBondContact O-N 3.32Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 3.01Å; L258-E261 PolarHBondContact O-N 3.19Å; L258-T262 WeakPolarHBondContact O-CB 3.4Å; L258-T262 PolarHBondContact O-N 3.49Å; L258-T262 PolarHBondContact O-OG1 2.98Å; L258-L270 HydrophobicContact CB-CD2 3.97Å; L258-L270 HydrophobicContact CD1-CD2 4.03Å; L258-L270 HydrophobicContact CD1-CG 4.3Å; L258-L270 HydrophobicContact CD2-CD2 4.34Å; L258-L270 HydrophobicContact CG-CD2 4.34Å; L258-L271 HydrophobicContact CB-CD2 4.21Å; L258-L274 HydrophobicContact CD1-CD2 3.96Å
259A94.3Very high95.6Very high30 Ų3044.7 Ų44.725%0.24827%0.274CS..Hα-helixtrans-66.4-29.1176.100000113.3V255 S257 L271V255-A259 VanDerWaalsContact O-CB 3.25Å; V255-A259 WeakPolarHBondContact O-CB 3.28Å; V255-A259 PolarHBondContact O-N 3.19Å; S257-A259 VanDerWaalsContact C-N 3.3Å; S257-A259 PolarHBondContact O-N 2.86Å; A259-L271 HydrophobicContact CB-CD1 3.83Å; A259-L271 HydrophobicContact CB-CD2 4.25Å
260S92.6Very high95.6Very high64 Ų6439.5 Ų39.545%0.44825%0.251SS..Hα-helixtrans-80.2-23.6176.762.20000113.6E217 K252 D256 S257 L258E217-S260 PolarHBondContact OE1-OG 2.69Å; K252-S260 PolarHBondContact NZ-OG 3.46Å; D256-S260 PolarHBondContact O-N 2.99Å; D256-S260 PolarHBondContact O-OG 3.38Å; S257-S260 PolarHBondContact O-N 3.2Å; S257-S260 PolarHBondContact O-OG 3.33Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 3.01Å
261E91.2Very high95.7Very high59 Ų5938.2 Ų38.228%0.27625%0.248SC..Hα-helixtrans-99.7-17.9-174.9-61.1-47.4122.600113.7T222 S257 L258T222-E261 HydrophobicContact CG2-CB 4.27Å; T222-E261 PolarHBondContact OG1-O 2.97Å; T222-E261 VanDerWaalsContact OG1-O 3.12Å; S257-E261 WeakPolarHBondContact O-CG 3.25Å; S257-E261 PolarHBondContact O-N 2.89Å; L258-E261 PolarHBondContact O-N 3.19Å
262T92.7Very high95.8Very high13 Ų1335.6 Ų35.68%0.0822%0.217CC..  trans-110.1171.2179.862.70000111.3T222 L258 F266 E267 L270T222-T262 HydrophobicContact CG2-CG2 4.45Å; L258-T262 WeakPolarHBondContact O-CB 3.4Å; L258-T262 PolarHBondContact O-N 3.49Å; L258-T262 PolarHBondContact O-OG1 2.98Å; T262-F266 HydrophobicContact CG2-CD1 4.01Å; T262-F266 HydrophobicContact CG2-CE1 3.55Å; T262-E267 VanDerWaalsContact O-OE2 3.05Å; T262-E267 WeakPolarHBondContact OG1-CA 3.18Å; T262-E267 VanDerWaalsContact OG1-CB 3.3Å; T262-E267 WeakPolarHBondContact OG1-CB 3.3Å; T262-E267 WeakPolarHBondContact OG1-CG 3.31Å; T262-L270 HydrophobicContact CG2-CD2 3.92Å
263S93.5Very high96Very high91 Ų9132.8 Ų32.864%0.63621%0.205SC*.  trans-150.8162.7175.862.50000113E267S263-E267 WeakPolarHBondContact CA-OE2 3.34Å; S263-E267 PolarHBondContact O-N 3.02Å
264G96.8Very high96Very high48 Ų4831.1 Ų31.150%0.49520%0.195SC..Hα-helixtrans65.5-145.7170.600000113.8F266 E267 S268G264-F266 VanDerWaalsContact C-N 3.26Å; G264-F266 PolarHBondContact O-N 3.39Å; G264-E267 PolarHBondContact O-N 3.09Å; G264-S268 PolarHBondContact O-N 3.42Å; G264-S268 PolarHBondContact O-OG 3.4Å; G264-S268 VanDerWaalsContact O-OG 3.13Å
265D97.8Very high96.1Very high64 Ų6433.5 Ų33.534%0.34221%0.208SC..Hα-helixtrans-69.3-27.4-177.2-61.9-43.7000112.5E118 I122 L168 S268 A269E118-D265 HydrophobicContact CB-CB 4.42Å; I122-D265 HydrophobicContact CD1-CB 4Å; I122-D265 WeakPolarHBondContact CD1-O 3.32Å; L168-D265 HydrophobicContact CD1-CB 4.46Å; L168-D265 HydrophobicContact CD2-CB 3.66Å; D265-S268 PolarHBondContact O-N 2.99Å; D265-A269 VanDerWaalsContact O-CB 3.31Å; D265-A269 WeakPolarHBondContact O-CB 3.11Å; D265-A269 PolarHBondContact O-N 3.38Å
266F97.6Very high96.1Very high18 Ų1832.6 Ų32.68%0.07920%0.202CC..Hα-helixtrans-64.2-47.7172.6173.9-119.9000111.6L171 E224 I228 T262 G264 S268 A269 L270L171-F266 HydrophobicContact CB-CD2 4.47Å; L171-F266 HydrophobicContact CB-CE2 4.32Å; L171-F266 HydrophobicContact CD1-CD2 3.97Å; L171-F266 HydrophobicContact CD1-CE2 3.72Å; E224-F266 HydrophobicContact CB-CE1 4.15Å; E224-F266 HydrophobicContact CB-CZ 3.99Å; E224-F266 HydrophobicContact CG-CE1 3.68Å; E224-F266 HydrophobicContact CG-CZ 4.05Å; I228-F266 HydrophobicContact CD1-CE2 3.87Å; I228-F266 HydrophobicContact CD1-CZ 4.26Å; I228-F266 HydrophobicContact CG1-CE2 3.79Å; I228-F266 HydrophobicContact CG1-CZ 4.1Å; T262-F266 HydrophobicContact CG2-CD1 4.01Å; T262-F266 HydrophobicContact CG2-CE1 3.55Å; G264-F266 VanDerWaalsContact C-N 3.26Å; G264-F266 PolarHBondContact O-N 3.39Å; F266-S268 VanDerWaalsContact C-N 3.34Å; F266-S268 PolarHBondContact O-N 3.46Å; F266-A269 PolarHBondContact O-N 2.71Å; F266-L270 HydrophobicContact CZ-CD2 4.49Å; F266-L270 VanDerWaalsContact O-CB 3.26Å; F266-L270 WeakPolarHBondContact O-CB 3.48Å; F266-L270 PolarHBondContact O-N 3.37Å
267E97.4Very high96.1Very high54 Ų5428.7 Ų28.725%0.25218%0.182SC..Hα-helixtrans-57.1-49.1172.2178.8-169.1134.800110.4T262 S263 G264 A269 L270 L271T262-E267 VanDerWaalsContact O-OE2 3.05Å; T262-E267 WeakPolarHBondContact OG1-CA 3.18Å; T262-E267 VanDerWaalsContact OG1-CB 3.3Å; T262-E267 WeakPolarHBondContact OG1-CB 3.3Å; T262-E267 WeakPolarHBondContact OG1-CG 3.31Å; S263-E267 WeakPolarHBondContact CA-OE2 3.34Å; S263-E267 PolarHBondContact O-N 3.02Å; G264-E267 PolarHBondContact O-N 3.09Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 3.08Å; E267-L270 PolarHBondContact O-N 3.24Å; E267-L271 HydrophobicContact CG-CD1 3.68Å; E267-L271 HydrophobicContact CG-CG 4.02Å; E267-L271 WeakPolarHBondContact O-CB 3.23Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.43Å; E267-L271 PolarHBondContact O-N 2.72Å
268S98.1Very high96.2Very high51 Ų5130.3 Ų30.336%0.35719%0.19SC..Hα-helixtrans-57.8-44.3-178.7-62.80000112.3G264 D265 F266 L272G264-S268 PolarHBondContact O-N 3.42Å; G264-S268 PolarHBondContact O-OG 3.4Å; G264-S268 VanDerWaalsContact O-OG 3.13Å; D265-S268 PolarHBondContact O-N 2.99Å; F266-S268 VanDerWaalsContact C-N 3.34Å; F266-S268 PolarHBondContact O-N 3.46Å; S268-L272 VanDerWaalsContact O-CB 3.29Å; S268-L272 WeakPolarHBondContact O-CB 3.5Å; S268-L272 PolarHBondContact O-N 3.43Å
269A98.6Very high96.2Very high0 Ų032.4 Ų32.40%020%0.201CC..Hα-helixtrans-63.8-49.3176.200000111.8I122 L168 L171 D265 F266 E267 L271 L272 I273I122-A269 HydrophobicContact CD1-CB 4.11Å; I122-A269 HydrophobicContact CG1-CB 3.91Å; I122-A269 HydrophobicContact CG2-CB 4.34Å; L168-A269 HydrophobicContact CD1-CB 3.66Å; L171-A269 HydrophobicContact CD1-CB 4.16Å; L171-A269 HydrophobicContact CD2-CB 3.81Å; D265-A269 VanDerWaalsContact O-CB 3.31Å; D265-A269 WeakPolarHBondContact O-CB 3.11Å; D265-A269 PolarHBondContact O-N 3.38Å; F266-A269 PolarHBondContact O-N 2.71Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 3.08Å; A269-L271 PolarHBondContact O-N 2.91Å; A269-L272 PolarHBondContact O-N 2.6Å; A269-I273 WeakPolarHBondContact O-CG1 3.38Å; A269-I273 PolarHBondContact O-N 3.15Å
270L97.7Very high96.3Very high0 Ų032 Ų320%019%0.193CC..Hα-helixtrans-60.1-49.1-178.2-175.870000111.9L171 I227 V231 L258 T262 F266 E267 L272 I273 L274L171-L270 HydrophobicContact CD1-CB 4.24Å; L171-L270 HydrophobicContact CD1-CD1 4.24Å; I227-L270 HydrophobicContact CG2-CD1 3.48Å; I227-L270 VanDerWaalsContact CG2-CD1 3.48Å; I227-L270 HydrophobicContact CG2-CD2 3.65Å; I227-L270 HydrophobicContact CG2-CG 4.2Å; V231-L270 HydrophobicContact CB-CD1 3.82Å; V231-L270 HydrophobicContact CG1-CD1 3.71Å; V231-L270 HydrophobicContact CG2-CD1 3.88Å; L258-L270 HydrophobicContact CB-CD2 3.97Å; L258-L270 HydrophobicContact CD1-CD2 4.03Å; L258-L270 HydrophobicContact CD1-CG 4.3Å; L258-L270 HydrophobicContact CD2-CD2 4.34Å; L258-L270 HydrophobicContact CG-CD2 4.34Å; T262-L270 HydrophobicContact CG2-CD2 3.92Å; F266-L270 HydrophobicContact CZ-CD2 4.49Å; F266-L270 VanDerWaalsContact O-CB 3.26Å; F266-L270 WeakPolarHBondContact O-CB 3.48Å; F266-L270 PolarHBondContact O-N 3.37Å; E267-L270 PolarHBondContact O-N 3.24Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 3.16Å; L270-I273 PolarHBondContact O-N 3.32Å; L270-L274 PolarHBondContact O-N 3.21Å
271L98Very high96.5Very high24 Ų2429 Ų2913%0.12617%0.172CC..Hα-helixtrans-66.6-35.4179.2-62.9-173.9000111.3V255 L258 A259 E267 A269 L274 N275V255-L271 HydrophobicContact CG1-CD2 4.15Å; L258-L271 HydrophobicContact CB-CD2 4.21Å; A259-L271 HydrophobicContact CB-CD1 3.83Å; A259-L271 HydrophobicContact CB-CD2 4.25Å; E267-L271 HydrophobicContact CG-CD1 3.68Å; E267-L271 HydrophobicContact CG-CG 4.02Å; E267-L271 WeakPolarHBondContact O-CB 3.23Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.43Å; E267-L271 PolarHBondContact O-N 2.72Å; A269-L271 PolarHBondContact O-N 2.91Å; L271-L274 PolarHBondContact O-N 3.38Å; L271-N275 WeakPolarHBondContact O-CB 3.3Å; L271-N275 VanDerWaalsContact O-CG 3.27Å; L271-N275 PolarHBondContact O-N 2.87Å; L271-N275 PolarHBondContact O-ND2 2.82Å
272L98.7Very high96.8Very high16 Ų1629.1 Ų29.18%0.08417%0.172CC..Hα-helixtrans-66.7-42.4176.1-17857.3000112I122 C126 T127 S268 A269 L270 T276 A283 L287I122-L272 HydrophobicContact CG2-CB 4.36Å; I122-L272 HydrophobicContact CG2-CD2 3.65Å; C126-L272 HydrophobicContact CB-CB 4.25Å; C126-L272 HydrophobicContact CB-CD2 3.98Å; C126-L272 HydrophobicContact CB-CG 4.05Å; T127-L272 HydrophobicContact CG2-CD1 4.08Å; T127-L272 HydrophobicContact CG2-CD2 4.05Å; T127-L272 HydrophobicContact CG2-CG 4.07Å; S268-L272 VanDerWaalsContact O-CB 3.29Å; S268-L272 WeakPolarHBondContact O-CB 3.5Å; S268-L272 PolarHBondContact O-N 3.43Å; A269-L272 PolarHBondContact O-N 2.6Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 PolarHBondContact O-N 3.16Å; L272-T276 VanDerWaalsContact O-CB 3.22Å; L272-T276 WeakPolarHBondContact O-CB 3.23Å; L272-T276 PolarHBondContact O-N 3.21Å; L272-T276 PolarHBondContact O-OG1 3.16Å; L272-A283 HydrophobicContact CD1-CB 4.3Å; L272-L287 HydrophobicContact CD1-CD1 3.98Å; L272-L287 HydrophobicContact CD1-CD2 4.28Å; L272-L287 HydrophobicContact CD1-CG 4.16Å; L272-L287 HydrophobicContact CD2-CD1 4.36Å; L272-L287 HydrophobicContact CD2-CD2 4.14Å
273I98.3Very high97.1Very high2 Ų228.6 Ų28.61%0.0117%0.169CC..Hα-helixtrans-58.1-51.6174-65.1167.4000109.8C126 L171 L175 V231 A269 L270 T276 C277C126-I273 HydrophobicContact CB-CG1 3.63Å; L171-I273 HydrophobicContact CD1-CD1 4.05Å; L171-I273 HydrophobicContact CD2-CD1 3.72Å; L171-I273 HydrophobicContact CG-CD1 4.02Å; L175-I273 HydrophobicContact CD1-CD1 3.91Å; L175-I273 HydrophobicContact CD1-CG1 4.35Å; L175-I273 HydrophobicContact CD2-CD1 4.17Å; L175-I273 HydrophobicContact CG-CD1 4.36Å; V231-I273 HydrophobicContact CG1-CB 3.94Å; V231-I273 HydrophobicContact CG1-CD1 4.4Å; V231-I273 HydrophobicContact CG1-CG2 3.56Å; A269-I273 WeakPolarHBondContact O-CG1 3.38Å; A269-I273 PolarHBondContact O-N 3.15Å; L270-I273 PolarHBondContact O-N 3.32Å; I273-T276 PolarHBondContact O-N 2.92Å; I273-C277 PolarHBondContact O-N 3.49Å; I273-C277 PolarHBondContact O-SG 3.34Å
274L97.5Very high97.3Very high0 Ų024.5 Ų24.50%014%0.14CC..Hα-helixtrans-63-51-175.7-177.458.8000110.6L254 V255 L258 L270 L271 T276 C277 L278L254-L274 HydrophobicContact CB-CD2 4.35Å; L254-L274 HydrophobicContact CD2-CD1 4.04Å; L254-L274 HydrophobicContact CD2-CD2 3.87Å; L254-L274 HydrophobicContact CG-CD2 3.77Å; V255-L274 HydrophobicContact CB-CD2 4.48Å; V255-L274 HydrophobicContact CG2-CD2 3.65Å; V255-L274 HydrophobicContact CG2-CG 4.1Å; L258-L274 HydrophobicContact CD1-CD2 3.96Å; L270-L274 PolarHBondContact O-N 3.21Å; L271-L274 PolarHBondContact O-N 3.38Å; L274-T276 VanDerWaalsContact C-N 3.25Å; L274-T276 PolarHBondContact O-N 2.95Å; L274-C277 WeakPolarHBondContact O-CA 3.4Å; L274-C277 WeakPolarHBondContact O-CB 3.48Å; L274-C277 PolarHBondContact O-N 2.96Å; L274-L278 HydrophobicContact CD1-CD1 4.09Å; L274-L278 HydrophobicContact CD1-CD2 4.31Å; L274-L278 HydrophobicContact CD1-CG 4.05Å; L274-L278 HydrophobicContact CG-CD1 3.91Å; L274-L278 HydrophobicContact CG-CG 4.24Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.25Å
275N97.4Very high97.3Very high52 Ų5222.2 Ų22.228%0.27812%0.116SC..Hα-helixtrans-59.8-36.4177.9-74.8-42.7000112.2L271 C277 L278 N279 A283L271-N275 WeakPolarHBondContact O-CB 3.3Å; L271-N275 VanDerWaalsContact O-CG 3.27Å; L271-N275 PolarHBondContact O-N 2.87Å; L271-N275 PolarHBondContact O-ND2 2.82Å; N275-C277 VanDerWaalsContact C-N 3.31Å; N275-C277 PolarHBondContact O-N 2.91Å; N275-L278 PolarHBondContact O-N 2.88Å; N275-N279 CarbonylContact O-C 3.49Å; N275-N279 VanDerWaalsContact O-C 3.25Å; N275-N279 PolarHBondContact O-N 3.42Å; N275-A283 HydrophobicContact CB-CB 4.14Å
276T96.7Very high97.4Very high6 Ų621.8 Ų21.84%0.03711%0.114CC..Hα-helixtrans-64.7-36.4174.4-59.50000111.9L272 I273 L274 R280L272-T276 VanDerWaalsContact O-CB 3.22Å; L272-T276 WeakPolarHBondContact O-CB 3.23Å; L272-T276 PolarHBondContact O-N 3.21Å; L272-T276 PolarHBondContact O-OG1 3.16Å; I273-T276 PolarHBondContact O-N 2.92Å; L274-T276 VanDerWaalsContact C-N 3.25Å; L274-T276 PolarHBondContact O-N 2.95Å; T276-R280 HydrophobicContact CG2-CB 4.33Å; T276-R280 HydrophobicContact CG2-CG 4.17Å; T276-R280 VanDerWaalsContact CG2-CZ 3.4Å; T276-R280 WeakPolarHBondContact O-CB 3.35Å; T276-R280 PolarHBondContact O-N 3.07Å
277C95.5Very high97.4Very high7 Ų722.1 Ų22.15%0.04712%0.116CC..Hα-helixtrans-70.5-40.5174.3-63.70000111.9V236 L239 Q240 I273 L274 N275V236-C277 HydrophobicContact CG1-CB 4.19Å; V236-C277 WeakPolarHBondContact CG1-O 3.45Å; V236-C277 HydrophobicContact CG2-CB 4.44Å; L239-C277 HydrophobicContact CB-CB 4.25Å; L239-C277 HydrophobicContact CD1-CB 4.22Å; Q240-C277 WeakPolarHBondContact CG-O 3.48Å; Q240-C277 PolarHBondContact NE2-O 3.36Å; I273-C277 PolarHBondContact O-N 3.49Å; I273-C277 PolarHBondContact O-SG 3.34Å; L274-C277 WeakPolarHBondContact O-CA 3.4Å; L274-C277 WeakPolarHBondContact O-CB 3.48Å; L274-C277 PolarHBondContact O-N 2.96Å; N275-C277 VanDerWaalsContact C-N 3.31Å; N275-C277 PolarHBondContact O-N 2.91Å
278L95.1Very high97.4Very high35 Ų3519.5 Ų19.518%0.18310%0.104CC..Hα-helixtrans-75.7-44.6-175.6-62.1-178.1000112.8Q240 V255 L274 N275Q240-L278 HydrophobicContact CB-CD2 4.44Å; Q240-L278 HydrophobicContact CG-CD2 4.11Å; V255-L278 HydrophobicContact CG2-CD1 3.84Å; L274-L278 HydrophobicContact CD1-CD1 4.09Å; L274-L278 HydrophobicContact CD1-CD2 4.31Å; L274-L278 HydrophobicContact CD1-CG 4.05Å; L274-L278 HydrophobicContact CG-CD1 3.91Å; L274-L278 HydrophobicContact CG-CG 4.24Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 3.25Å; N275-L278 PolarHBondContact O-N 2.88Å
279N95Very high97.4Very high46 Ų4617.9 Ų17.925%0.2469%0.092CC..  trans-157.186.6-179.8-173.8-23.4000109.6N275 P281 K282 A283N275-N279 CarbonylContact O-C 3.49Å; N275-N279 VanDerWaalsContact O-C 3.25Å; N275-N279 PolarHBondContact O-N 3.42Å; N279-P281 WeakPolarHBondContact OD1-CD 3.29Å; N279-K282 HydrophobicContact CB-CB 3.88Å; N279-K282 WeakPolarHBondContact O-CB 3.23Å; N279-K282 PolarHBondContact O-N 3.31Å; N279-K282 VanDerWaalsContact O-N 3.07Å; N279-K282 WeakPolarHBondContact OD1-CB 3.32Å; N279-K282 PolarHBondContact OD1-N 3.1Å; N279-A283 PolarHBondContact O-N 3Å
280R96.4Very high97.3Very high21 Ų2123.1 Ų23.18%0.07912%0.115CC..Hα-helixtrans-53.8-46.1-179.6177.8174.8-68.2-97.6-0.5113.1T127 T276 K282 A283 Y284T127-R280 PolarHBondContact O-NH1 3.24Å; T127-R280 PolarHBondContact O-NH2 2.84Å; T127-R280 VanDerWaalsContact O-NH2 3.16Å; T276-R280 HydrophobicContact CG2-CB 4.33Å; T276-R280 HydrophobicContact CG2-CG 4.17Å; T276-R280 VanDerWaalsContact CG2-CZ 3.4Å; T276-R280 WeakPolarHBondContact O-CB 3.35Å; T276-R280 PolarHBondContact O-N 3.07Å; R280-K282 VanDerWaalsContact C-N 3.31Å; R280-K282 PolarHBondContact O-N 2.98Å; R280-A283 PolarHBondContact O-N 3.41Å; R280-Y284 HydrophobicContact CG-CD2 3.87Å; R280-Y284 HydrophobicContact CG-CE2 3.84Å; R280-Y284 WeakPolarHBondContact O-CD2 3.12Å; R280-Y284 PolarHBondContact O-N 2.9Å; R280-Y284 VanDerWaalsContact O-N 3.07Å
281P97.4Very high97.2Very high2 Ų223.5 Ų23.51%0.01312%0.117CC..Hα-helixtrans-57.6-40.9175.1-2935.9000114.1Y16 N279 S285 I317 E320Y16-P281 HydrophobicContact CD1-CG 3.82Å; Y16-P281 HydrophobicContact CD2-CG 3.97Å; Y16-P281 HydrophobicContact CE1-CG 3.53Å; Y16-P281 VanDerWaalsContact CE2-CD 3.49Å; Y16-P281 HydrophobicContact CE2-CG 3.68Å; Y16-P281 HydrophobicContact CG-CG 4.05Å; Y16-P281 VanDerWaalsContact CZ-CD 3.4Å; Y16-P281 VanDerWaalsContact CZ-CG 3.45Å; Y16-P281 WeakPolarHBondContact OH-CD 3.36Å; N279-P281 WeakPolarHBondContact OD1-CD 3.29Å; P281-S285 WeakPolarHBondContact O-CB 3.34Å; P281-S285 PolarHBondContact O-N 3.04Å; P281-I317 HydrophobicContact CB-CG1 4.16Å; P281-E320 HydrophobicContact CB-CB 4.37Å; P281-E320 HydrophobicContact CB-CG 3.97Å
282K97.1Very high97.2Very high61 Ų6122.4 Ų22.427%0.26511%0.112SC..Hα-helixtrans-66.5-41.1176.1-178.461.7169.974.70112N279 R280 Y284 S285 D286 S324N279-K282 HydrophobicContact CB-CB 3.88Å; N279-K282 WeakPolarHBondContact O-CB 3.23Å; N279-K282 PolarHBondContact O-N 3.31Å; N279-K282 VanDerWaalsContact O-N 3.07Å; N279-K282 WeakPolarHBondContact OD1-CB 3.32Å; N279-K282 PolarHBondContact OD1-N 3.1Å; R280-K282 VanDerWaalsContact C-N 3.31Å; R280-K282 PolarHBondContact O-N 2.98Å; K282-Y284 PolarHBondContact O-N 3.35Å; K282-S285 WeakPolarHBondContact O-CB 3.23Å; K282-S285 PolarHBondContact O-N 3.49Å; K282-D286 IonicContact NZ-OD1 3.14Å; K282-D286 PolarHBondContact NZ-OD1 2.76Å; K282-D286 IonicContact NZ-OD2 3.78Å; K282-D286 PolarHBondContact NZ-OD2 3.46Å; K282-D286 PolarHBondContact O-N 2.75Å; K282-S324 VanDerWaalsContact CE-OG 3.25Å; K282-S324 WeakPolarHBondContact CE-OG 3.41Å
283A97.7Very high96.8Very high2 Ų228.6 Ų28.62%0.01714%0.138CC..Hα-helixtrans-59.9-46.7177.100000112L272 N275 N279 R280 D286 L287L272-A283 HydrophobicContact CD1-CB 4.3Å; N275-A283 HydrophobicContact CB-CB 4.14Å; N279-A283 PolarHBondContact O-N 3Å; R280-A283 PolarHBondContact O-N 3.41Å; A283-D286 PolarHBondContact O-N 3.37Å; A283-L287 WeakPolarHBondContact O-CG 3.39Å; A283-L287 PolarHBondContact O-N 3.37Å
284Y98.2Very high96.3Very high5 Ų531.4 Ų31.42%0.0217%0.167CC..Hα-helixtrans-68-33.8174.3-81.7-71000113T127 R280 K282 D286 L287 L288 I305 R309 I317T127-Y284 WeakPolarHBondContact CB-OH 3.34Å; T127-Y284 HydrophobicContact CG2-CE1 4.41Å; T127-Y284 PolarHBondContact OG1-OH 2.91Å; T127-Y284 VanDerWaalsContact OG1-OH 3.09Å; R280-Y284 HydrophobicContact CG-CD2 3.87Å; R280-Y284 HydrophobicContact CG-CE2 3.84Å; R280-Y284 WeakPolarHBondContact O-CD2 3.12Å; R280-Y284 PolarHBondContact O-N 2.9Å; R280-Y284 VanDerWaalsContact O-N 3.07Å; K282-Y284 PolarHBondContact O-N 3.35Å; Y284-D286 VanDerWaalsContact C-N 3.28Å; Y284-D286 PolarHBondContact O-N 3.31Å; Y284-L287 HydrophobicContact CD1-CD1 3.98Å; Y284-L287 HydrophobicContact CE1-CD1 4.3Å; Y284-L287 PolarHBondContact O-N 2.95Å; Y284-L288 WeakPolarHBondContact O-CB 3.38Å; Y284-L288 WeakPolarHBondContact O-CG 3.26Å; Y284-L288 PolarHBondContact O-N 3.32Å; Y284-I305 HydrophobicContact CD1-CD1 4.41Å; Y284-I305 HydrophobicContact CD1-CG1 4.19Å; Y284-I305 HydrophobicContact CD1-CG2 3.83Å; Y284-I305 HydrophobicContact CE1-CG1 4.45Å; Y284-R309 HydrophobicContact CD1-CG 4.29Å; Y284-R309 HydrophobicContact CE1-CG 4.19Å; Y284-I317 HydrophobicContact CD2-CD1 3.99Å; Y284-I317 HydrophobicContact CG-CD1 3.85Å
285S98.3Very high95.4Very high0 Ų037 Ų370%021%0.213CC..Hα-helixtrans-58-44171.1170.50000110.8P281 K282 L288 V289 F321P281-S285 WeakPolarHBondContact O-CB 3.34Å; P281-S285 PolarHBondContact O-N 3.04Å; K282-S285 WeakPolarHBondContact O-CB 3.23Å; K282-S285 PolarHBondContact O-N 3.49Å; S285-L288 PolarHBondContact O-N 3.49Å; S285-V289 WeakPolarHBondContact O-CG2 3.4Å; S285-V289 PolarHBondContact O-N 3.01Å; S285-F321 WeakPolarHBondContact OG-CA 3.45Å; S285-F321 WeakPolarHBondContact OG-CD2 3.32Å
286D97.9Very high94.9Very high55 Ų5537 Ų3729%0.29423%0.226SC..Hα-helixtrans-68.7-37.3-179.7-67.7-25.4000112.2K282 A283 Y284 V289 K290K282-D286 IonicContact NZ-OD1 3.14Å; K282-D286 PolarHBondContact NZ-OD1 2.76Å; K282-D286 IonicContact NZ-OD2 3.78Å; K282-D286 PolarHBondContact NZ-OD2 3.46Å; K282-D286 PolarHBondContact O-N 2.75Å; A283-D286 PolarHBondContact O-N 3.37Å; Y284-D286 VanDerWaalsContact C-N 3.28Å; Y284-D286 PolarHBondContact O-N 3.31Å; D286-V289 PolarHBondContact O-N 3.08Å; D286-K290 PolarHBondContact O-N 3.27Å
287L98.1Very high94.6Very high25 Ų2538 Ų3813%0.13123%0.232CC..Hα-helixtrans-61.5-43171.5-70.5170.8000111.9E123 T127 L272 A283 Y284 K290 A291 I305E123-L287 HydrophobicContact CB-CD2 4.49Å; E123-L287 HydrophobicContact CG-CD1 3.82Å; E123-L287 HydrophobicContact CG-CD2 4.23Å; T127-L287 HydrophobicContact CG2-CD1 4.21Å; L272-L287 HydrophobicContact CD1-CD1 3.98Å; L272-L287 HydrophobicContact CD1-CD2 4.28Å; L272-L287 HydrophobicContact CD1-CG 4.16Å; L272-L287 HydrophobicContact CD2-CD1 4.36Å; L272-L287 HydrophobicContact CD2-CD2 4.14Å; A283-L287 WeakPolarHBondContact O-CG 3.39Å; A283-L287 PolarHBondContact O-N 3.37Å; Y284-L287 HydrophobicContact CD1-CD1 3.98Å; Y284-L287 HydrophobicContact CE1-CD1 4.3Å; Y284-L287 PolarHBondContact O-N 2.95Å; L287-K290 PolarHBondContact O-N 2.86Å; L287-A291 WeakPolarHBondContact O-CB 3.12Å; L287-A291 PolarHBondContact O-N 3.45Å; L287-I305 HydrophobicContact CB-CD1 3.62Å; L287-I305 HydrophobicContact CD1-CD1 4.45Å
288L98.3Very high94.5Very high0 Ų040.5 Ų40.50%025%0.245CC..Hα-helixtrans-63.4-41175.6-76.1169.3000111.8Y284 S285 A291 M292 L302 I305 I317 F321 L329Y284-L288 WeakPolarHBondContact O-CB 3.38Å; Y284-L288 WeakPolarHBondContact O-CG 3.26Å; Y284-L288 PolarHBondContact O-N 3.32Å; S285-L288 PolarHBondContact O-N 3.49Å; L288-A291 PolarHBondContact O-N 3.02Å; L288-M292 HydrophobicContact CB-CE 4.04Å; L288-M292 VanDerWaalsContact O-CE 3.23Å; L288-M292 WeakPolarHBondContact O-CE 3.5Å; L288-M292 PolarHBondContact O-N 3.48Å; L288-M292 VanDerWaalsContact O-N 3.14Å; L288-L302 HydrophobicContact CD2-CD1 3.62Å; L288-I305 HydrophobicContact CD1-CG2 4.14Å; L288-I305 HydrophobicContact CD2-CB 4.03Å; L288-I305 HydrophobicContact CD2-CD1 4.15Å; L288-I305 HydrophobicContact CD2-CG2 3.83Å; L288-I305 HydrophobicContact CG-CD1 4.2Å; L288-I305 HydrophobicContact CG-CG2 3.91Å; L288-I317 HydrophobicContact CD1-CG2 3.69Å; L288-F321 HydrophobicContact CB-CD2 4.15Å; L288-F321 HydrophobicContact CB-CE2 3.88Å; L288-L329 HydrophobicContact CD1-CD1 4.19Å; L288-L329 HydrophobicContact CD1-CD2 3.84Å
289V97.7Very high94.6Very high16 Ų1640.1 Ų40.110%0.09724%0.243CC..Hα-helixtrans-60.7-47.7173.5171.70000110S285 D286 A291 M292 K293 F321 Q325 W332S285-V289 WeakPolarHBondContact O-CG2 3.4Å; S285-V289 PolarHBondContact O-N 3.01Å; D286-V289 PolarHBondContact O-N 3.08Å; V289-A291 VanDerWaalsContact C-N 3.28Å; V289-A291 PolarHBondContact O-N 3.47Å; V289-M292 PolarHBondContact O-N 3.12Å; V289-K293 HydrophobicContact CG1-CB 4.22Å; V289-K293 HydrophobicContact CG1-CD 3.96Å; V289-K293 WeakPolarHBondContact O-CB 3.36Å; V289-K293 PolarHBondContact O-N 2.76Å; V289-F321 HydrophobicContact CG2-CD2 4.16Å; V289-F321 HydrophobicContact CG2-CE2 3.54Å; V289-F321 HydrophobicContact CG2-CZ 3.98Å; V289-Q325 VanDerWaalsContact CG2-CD 3.45Å; V289-Q325 HydrophobicContact CG2-CG 3.63Å; V289-W332 HydrophobicContact CG1-CH2 4.19Å; V289-W332 HydrophobicContact CG1-CZ3 4.39Å; V289-W332 HydrophobicContact CG2-CH2 4.43Å
290K96.3Very high94.6Very high111 Ų11140.7 Ų40.748%0.48325%0.25SC..Hα-helixtrans-58.8-40.5178.2-173.4179.5176.9-176.20111.7E119 D286 L287 M292E119-K290 VanDerWaalsContact OE1-CE 3.31Å; E119-K290 WeakPolarHBondContact OE1-CE 3.32Å; E119-K290 IonicContact OE1-NZ 3.92Å; E119-K290 PolarHBondContact OE1-NZ 3.49Å; E119-K290 VanDerWaalsContact OE2-CE 3.3Å; E119-K290 WeakPolarHBondContact OE2-CE 3.25Å; E119-K290 IonicContact OE2-NZ 2.65Å; E119-K290 PolarHBondContact OE2-NZ 2.74Å; E119-K290 VanDerWaalsContact OE2-NZ 3.16Å; D286-K290 PolarHBondContact O-N 3.27Å; L287-K290 PolarHBondContact O-N 2.86Å; K290-M292 PolarHBondContact O-N 3.06Å
291A96.1Very high94.5Very high7 Ų740.3 Ų40.36%0.05825%0.25CC..Hα-helixtrans-69.6-28.7-178.900000114.1L287 L288 V289 T297 D298 T301L287-A291 WeakPolarHBondContact O-CB 3.12Å; L287-A291 PolarHBondContact O-N 3.45Å; L288-A291 PolarHBondContact O-N 3.02Å; V289-A291 VanDerWaalsContact C-N 3.28Å; V289-A291 PolarHBondContact O-N 3.47Å; A291-T297 CarbonylContact O-C 3.59Å; A291-T297 WeakPolarHBondContact O-CA 3.41Å; A291-D298 HydrophobicContact CB-CB 4.28Å; A291-D298 PolarHBondContact O-N 2.95Å; A291-T301 HydrophobicContact CB-CG2 3.76Å
292M96.5Very high94.6Very high2 Ų240.2 Ų40.21%0.0125%0.249CC..Hα-helixtrans-108-17.1-175.2-68.3-176.6-70.500113.8L288 V289 K290 T297 L302 F321 L329 W332 I333 E336L288-M292 HydrophobicContact CB-CE 4.04Å; L288-M292 VanDerWaalsContact O-CE 3.23Å; L288-M292 WeakPolarHBondContact O-CE 3.5Å; L288-M292 PolarHBondContact O-N 3.48Å; L288-M292 VanDerWaalsContact O-N 3.14Å; V289-M292 PolarHBondContact O-N 3.12Å; K290-M292 PolarHBondContact O-N 3.06Å; M292-T297 HydrophobicContact CG-CG2 4.12Å; M292-L302 HydrophobicContact CE-CD1 4.44Å; M292-L302 HydrophobicContact CG-CD1 4.29Å; M292-L302 HydrophobicContact CG-CD2 4.15Å; M292-L302 HydrophobicContact SD-CD1 3.92Å; M292-L302 HydrophobicContact SD-CD2 4.16Å; M292-F321 HydrophobicContact CE-CE2 3.87Å; M292-F321 HydrophobicContact CE-CZ 3.86Å; M292-L329 HydrophobicContact CE-CD1 3.45Å; M292-L329 VanDerWaalsContact CE-CD1 3.45Å; M292-L329 HydrophobicContact SD-CD1 4.33Å; M292-W332 HydrophobicContact CB-CE3 3.82Å; M292-W332 HydrophobicContact CB-CZ3 4.19Å; M292-W332 HydrophobicContact CE-CB 4.13Å; M292-W332 HydrophobicContact CE-CE3 3.94Å; M292-W332 HydrophobicContact SD-CB 4.03Å; M292-W332 HydrophobicContact SD-CE3 4.44Å; M292-I333 HydrophobicContact SD-CG1 4.33Å; M292-E336 HydrophobicContact CB-CG 4.31Å
293K91.8Very high94.6Very high146 Ų14637.3 Ų37.364%0.63524%0.237SC*.SBendtrans-89.1116-175.3-171.4176.4-176.8176.90110.5V289 W332V289-K293 HydrophobicContact CG1-CB 4.22Å; V289-K293 HydrophobicContact CG1-CD 3.96Å; V289-K293 WeakPolarHBondContact O-CB 3.36Å; V289-K293 PolarHBondContact O-N 2.76Å; K293-W332 HydrophobicContact CB-CH2 4.49Å; K293-W332 HydrophobicContact CB-CZ3 4.16Å
294G87.3Confident94.6Very high60 Ų6037.7 Ų37.762%0.61924%0.238SC*.SBendtrans136-152.3170.200000112.5G296G294-G296 PolarHBondContact O-N 2.96Å
295A79.3Confident94.5Very high117 Ų11737.4 Ų37.497%0.96724%0.237SC*.SBendtrans-83.597.3175.900000109.7
296G86.9Confident94.5Very high52 Ų5237.4 Ų37.454%0.53624%0.237SC..SBendtrans88176.1-177.700000113G294G294-G296 PolarHBondContact O-N 2.96Å
297T89.7Confident94.4Very high28 Ų2835.2 Ų35.217%0.17223%0.225CC..  trans-117.7131.1-175.4-53.60000109.3A291 M292 D299 L302 E336A291-T297 CarbonylContact O-C 3.59Å; A291-T297 WeakPolarHBondContact O-CA 3.41Å; M292-T297 HydrophobicContact CG-CG2 4.12Å; T297-D299 PolarHBondContact O-N 2.87Å; T297-L302 HydrophobicContact CG2-CD2 3.89Å; T297-E336 PolarHBondContact OG1-O 3.41Å
298D94.1Very high94.3Very high59 Ų5934.2 Ų34.232%0.31622%0.22SC..  trans-75.380.5162.2-178.10.5000109.3A291 C300 T301 L302A291-D298 HydrophobicContact CB-CB 4.28Å; A291-D298 PolarHBondContact O-N 2.95Å; D298-C300 PolarHBondContact O-N 3.29Å; D298-C300 WeakPolarHBondContact OD1-CB 3.4Å; D298-C300 PolarHBondContact OD1-N 3.09Å; D298-C300 VanDerWaalsContact OD1-N 3.1Å; D298-T301 PolarHBondContact O-N 3.41Å; D298-T301 PolarHBondContact OD1-N 3.47Å; D298-T301 VanDerWaalsContact OD1-N 3.15Å; D298-T301 WeakPolarHBondContact OD2-CB 3.42Å; D298-T301 PolarHBondContact OD2-OG1 3.15Å; D298-L302 WeakPolarHBondContact O-CB 3.47Å; D298-L302 PolarHBondContact O-N 2.88Å
299D95.7Very high94.1Very high28 Ų2834.3 Ų34.315%0.1522%0.22CC..Hα-helixtrans-58.8-27.7178.6-71.4-60.3000112.8R90 T297 M303 Y341R90-D299 IonicContact NH2-OD2 3.66Å; T297-D299 PolarHBondContact O-N 2.87Å; D299-M303 HydrophobicContact CB-CE 3.96Å; D299-M303 VanDerWaalsContact O-CB 3.23Å; D299-M303 WeakPolarHBondContact O-CB 3.5Å; D299-M303 WeakPolarHBondContact O-CG 3.37Å; D299-M303 PolarHBondContact O-N 3.36Å; D299-Y341 WeakPolarHBondContact OD1-CE1 3.4Å; D299-Y341 VanDerWaalsContact OD1-CZ 3.23Å; D299-Y341 PolarHBondContact OD1-OH 2.96Å
300C94.9Very high94.1Very high57 Ų5733.5 Ų33.539%0.38522%0.216SC..Hα-helixtrans-68.1-46179.3-73.40000111R90 D298 R304R90-C300 PolarHBondContact NH1-SG 3.07Å; R90-C300 VanDerWaalsContact NH1-SG 3.39Å; D298-C300 PolarHBondContact O-N 3.29Å; D298-C300 WeakPolarHBondContact OD1-CB 3.4Å; D298-C300 PolarHBondContact OD1-N 3.09Å; D298-C300 VanDerWaalsContact OD1-N 3.1Å; C300-R304 VanDerWaalsContact O-CB 3.25Å; C300-R304 WeakPolarHBondContact O-CB 3.49Å; C300-R304 PolarHBondContact O-N 3.43Å; C300-R304 VanDerWaalsContact O-N 3.08Å; C300-R304 PolarHBondContact O-NH1 2.92Å
301T95.7Very high94Very high13 Ų1329.7 Ų29.78%0.0820%0.199CC..Hα-helixtrans-68.7-45.6176.4-660000111.1E123 A291 D298 M303 R304 I305E123-T301 WeakPolarHBondContact OE2-CG2 3.31Å; A291-T301 HydrophobicContact CB-CG2 3.76Å; D298-T301 PolarHBondContact O-N 3.41Å; D298-T301 PolarHBondContact OD1-N 3.47Å; D298-T301 VanDerWaalsContact OD1-N 3.15Å; D298-T301 WeakPolarHBondContact OD2-CB 3.42Å; D298-T301 PolarHBondContact OD2-OG1 3.15Å; T301-M303 PolarHBondContact O-N 3.48Å; T301-R304 PolarHBondContact O-N 3.16Å; T301-R304 PolarHBondContact OG1-NH2 2.87Å; T301-I305 HydrophobicContact CG2-CD1 3.71Å; T301-I305 HydrophobicContact CG2-CG1 4.38Å; T301-I305 WeakPolarHBondContact O-CG1 3.45Å; T301-I305 PolarHBondContact O-N 2.63Å
302L98Very high93.9Very high0 Ų031 Ų310%020%0.204CC..Hα-helixtrans-56.1-50.9176.9177.858.6000111.9L288 M292 T297 D298 R304 I306 T337 L345L288-L302 HydrophobicContact CD2-CD1 3.62Å; M292-L302 HydrophobicContact CE-CD1 4.44Å; M292-L302 HydrophobicContact CG-CD1 4.29Å; M292-L302 HydrophobicContact CG-CD2 4.15Å; M292-L302 HydrophobicContact SD-CD1 3.92Å; M292-L302 HydrophobicContact SD-CD2 4.16Å; T297-L302 HydrophobicContact CG2-CD2 3.89Å; D298-L302 WeakPolarHBondContact O-CB 3.47Å; D298-L302 PolarHBondContact O-N 2.88Å; L302-R304 PolarHBondContact O-N 3.5Å; L302-I306 HydrophobicContact CD1-CD1 3.49Å; L302-I306 VanDerWaalsContact CD1-CD1 3.49Å; L302-I306 HydrophobicContact CD1-CG1 4.27Å; L302-I306 HydrophobicContact CG-CD1 4.06Å; L302-I306 WeakPolarHBondContact O-CB 3.38Å; L302-I306 WeakPolarHBondContact O-CG1 3.44Å; L302-I306 PolarHBondContact O-N 3.05Å; L302-T337 HydrophobicContact CD2-CG2 3.98Å; L302-L345 HydrophobicContact CD2-CD1 3.92Å; L302-L345 HydrophobicContact CG-CD1 4.28Å
303M97.8Very high93.9Very high1 Ų131 Ų311%0.00520%0.204CC..Hα-helixtrans-60.6-45.7177.3-71.3173.1-163.600111.6D87 R90 L91 M94 D299 T301 I306 V307 Y341D87-M303 HydrophobicContact CB-CE 3.56Å; D87-M303 WeakPolarHBondContact O-CE 3.27Å; R90-M303 HydrophobicContact CB-CE 4.16Å; R90-M303 HydrophobicContact CB-SD 3.91Å; L91-M303 HydrophobicContact CB-CE 4.44Å; L91-M303 HydrophobicContact CB-CG 4.27Å; L91-M303 HydrophobicContact CB-SD 4.01Å; L91-M303 HydrophobicContact CD1-CB 4.07Å; L91-M303 HydrophobicContact CD1-CG 3.98Å; M94-M303 HydrophobicContact CE-CB 3.92Å; M94-M303 HydrophobicContact SD-CB 3.96Å; D299-M303 HydrophobicContact CB-CE 3.96Å; D299-M303 VanDerWaalsContact O-CB 3.23Å; D299-M303 WeakPolarHBondContact O-CB 3.5Å; D299-M303 WeakPolarHBondContact O-CG 3.37Å; D299-M303 PolarHBondContact O-N 3.36Å; T301-M303 PolarHBondContact O-N 3.48Å; M303-I306 PolarHBondContact O-N 3.46Å; M303-V307 WeakPolarHBondContact O-CB 3.4Å; M303-V307 VanDerWaalsContact O-CG2 3.3Å; M303-V307 WeakPolarHBondContact O-CG2 3.05Å; M303-V307 PolarHBondContact O-N 3.24Å; M303-Y341 HydrophobicContact CE-CD2 3.78Å; M303-Y341 HydrophobicContact CE-CE1 4.31Å; M303-Y341 HydrophobicContact CE-CE2 3.22Å; M303-Y341 HydrophobicContact CG-CE2 3.71Å; M303-Y341 HydrophobicContact SD-CE2 4.25Å
304R97.2Very high94.1Very high9 Ų924 Ų243%0.03417%0.173CC..Hα-helixtrans-62.3-48.8-176.9-178.7168.857.7-110.212.9110.9M94 V102 E123 C300 T301 L302 I306 V307 T308M94-R304 HydrophobicContact CE-CB 4.31Å; M94-R304 HydrophobicContact SD-CB 4.31Å; V102-R304 HydrophobicContact CG1-CG 4.38Å; E123-R304 VanDerWaalsContact CD-NE 3.31Å; E123-R304 IonicContact OE1-CZ 2.65Å; E123-R304 IonicContact OE1-NE 3.06Å; E123-R304 PolarHBondContact OE1-NE 3.1Å; E123-R304 IonicContact OE1-NH2 2.75Å; E123-R304 IonicContact OE2-CZ 3.8Å; E123-R304 IonicContact OE2-NE 2.83Å; E123-R304 PolarHBondContact OE2-NE 2.96Å; E123-R304 IonicContact OE2-NH2 3.23Å; E123-R304 PolarHBondContact OE2-NH2 3.38Å; C300-R304 VanDerWaalsContact O-CB 3.25Å; C300-R304 WeakPolarHBondContact O-CB 3.49Å; C300-R304 PolarHBondContact O-N 3.43Å; C300-R304 VanDerWaalsContact O-N 3.08Å; C300-R304 PolarHBondContact O-NH1 2.92Å; T301-R304 PolarHBondContact O-N 3.16Å; T301-R304 PolarHBondContact OG1-NH2 2.87Å; L302-R304 PolarHBondContact O-N 3.5Å; R304-I306 PolarHBondContact O-N 3.39Å; R304-V307 PolarHBondContact O-N 3.2Å; R304-T308 HydrophobicContact CG-CG2 4.18Å; R304-T308 VanDerWaalsContact O-CB 3.23Å; R304-T308 WeakPolarHBondContact O-CB 3.49Å; R304-T308 WeakPolarHBondContact O-CG2 3.48Å; R304-T308 PolarHBondContact O-N 3.47Å; R304-T308 PolarHBondContact O-OG1 3.23Å
305I97.4Very high94.6Very high0 Ų021.5 Ų21.50%015%0.148CC..Hα-helixtrans-60.9-47.6177.6-65171000110.4Y284 L287 L288 T301 V307 T308 R309Y284-I305 HydrophobicContact CD1-CD1 4.41Å; Y284-I305 HydrophobicContact CD1-CG1 4.19Å; Y284-I305 HydrophobicContact CD1-CG2 3.83Å; Y284-I305 HydrophobicContact CE1-CG1 4.45Å; L287-I305 HydrophobicContact CB-CD1 3.62Å; L287-I305 HydrophobicContact CD1-CD1 4.45Å; L288-I305 HydrophobicContact CD1-CG2 4.14Å; L288-I305 HydrophobicContact CD2-CB 4.03Å; L288-I305 HydrophobicContact CD2-CD1 4.15Å; L288-I305 HydrophobicContact CD2-CG2 3.83Å; L288-I305 HydrophobicContact CG-CD1 4.2Å; L288-I305 HydrophobicContact CG-CG2 3.91Å; T301-I305 HydrophobicContact CG2-CD1 3.71Å; T301-I305 HydrophobicContact CG2-CG1 4.38Å; T301-I305 WeakPolarHBondContact O-CG1 3.45Å; T301-I305 PolarHBondContact O-N 2.63Å; I305-V307 PolarHBondContact O-N 2.8Å; I305-T308 PolarHBondContact O-N 3.28Å; I305-T308 PolarHBondContact O-OG1 2.91Å; I305-R309 HydrophobicContact CG2-CG 4.17Å; I305-R309 VanDerWaalsContact O-CB 3.27Å; I305-R309 WeakPolarHBondContact O-CB 3.32Å; I305-R309 VanDerWaalsContact O-CG 3.24Å; I305-R309 WeakPolarHBondContact O-CG 3.25Å; I305-R309 PolarHBondContact O-N 2.81Å
306I98Very high95.5Very high0 Ų016.5 Ų16.50%011%0.106CC..Hα-helixtrans-62.7-48.9-178.7-71.5171.9000111.3L302 M303 R304 T308 R309 C310 L314 I333 L345 L348 I349L302-I306 HydrophobicContact CD1-CD1 3.49Å; L302-I306 VanDerWaalsContact CD1-CD1 3.49Å; L302-I306 HydrophobicContact CD1-CG1 4.27Å; L302-I306 HydrophobicContact CG-CD1 4.06Å; L302-I306 WeakPolarHBondContact O-CB 3.38Å; L302-I306 WeakPolarHBondContact O-CG1 3.44Å; L302-I306 PolarHBondContact O-N 3.05Å; M303-I306 PolarHBondContact O-N 3.46Å; R304-I306 PolarHBondContact O-N 3.39Å; I306-T308 VanDerWaalsContact C-N 3.34Å; I306-T308 PolarHBondContact O-N 3.14Å; I306-R309 PolarHBondContact O-N 2.83Å; I306-C310 WeakPolarHBondContact O-CB 3.45Å; I306-C310 PolarHBondContact O-N 2.98Å; I306-C310 PolarHBondContact O-SG 3.24Å; I306-C310 VanDerWaalsContact O-SG 3.39Å; I306-L314 HydrophobicContact CB-CD2 4.4Å; I306-L314 HydrophobicContact CG1-CD2 4.34Å; I306-L314 HydrophobicContact CG2-CD2 4.15Å; I306-I333 HydrophobicContact CD1-CD1 3.75Å; I306-L345 HydrophobicContact CB-CD2 4.32Å; I306-L345 HydrophobicContact CD1-CB 4.48Å; I306-L345 HydrophobicContact CD1-CD1 4.45Å; I306-L345 HydrophobicContact CD1-CD2 3.7Å; I306-L345 HydrophobicContact CD1-CG 4.44Å; I306-L345 HydrophobicContact CG2-CD2 4.14Å; I306-L348 HydrophobicContact CG2-CB 3.62Å; I306-L348 HydrophobicContact CG2-CD1 3.83Å; I306-L348 HydrophobicContact CG2-CG 4.39Å; I306-I349 HydrophobicContact CD1-CG2 4.24Å; I306-I349 HydrophobicContact CG1-CG2 4.39Å; I306-I349 HydrophobicContact CG2-CG2 4.32Å
307V96.4Very high96.1Very high9 Ų914 Ų146%0.0558%0.08CC..Hα-helixtrans-63-42.7-179.7171.10000111.3L91 M94 L95 M303 R304 I305 C310 L348L91-V307 HydrophobicContact CD1-CG2 3.47Å; L91-V307 VanDerWaalsContact CD1-CG2 3.47Å; M94-V307 HydrophobicContact CB-CG2 4.47Å; M94-V307 HydrophobicContact CG-CB 4.3Å; M94-V307 HydrophobicContact CG-CG1 4.12Å; M94-V307 HydrophobicContact CG-CG2 4.18Å; M94-V307 HydrophobicContact SD-CB 3.98Å; M94-V307 HydrophobicContact SD-CG1 4.43Å; M94-V307 HydrophobicContact SD-CG2 3.88Å; L95-V307 HydrophobicContact CD1-CG2 3.73Å; L95-V307 HydrophobicContact CG-CG2 4.34Å; M303-V307 WeakPolarHBondContact O-CB 3.4Å; M303-V307 VanDerWaalsContact O-CG2 3.3Å; M303-V307 WeakPolarHBondContact O-CG2 3.05Å; M303-V307 PolarHBondContact O-N 3.24Å; R304-V307 PolarHBondContact O-N 3.2Å; I305-V307 PolarHBondContact O-N 2.8Å; V307-C310 PolarHBondContact O-SG 3.31Å; V307-C310 VanDerWaalsContact O-SG 3.42Å; V307-L348 HydrophobicContact CG2-CD1 4.37Å
308T94.1Very high96.5Very high4 Ų414 Ų143%0.0258%0.081CC..Hα-helixtrans-75.6-26.2-174.757.60000113.6I99 R304 I305 I306 F312I99-T308 HydrophobicContact CD1-CG2 4.01Å; I99-T308 HydrophobicContact CG1-CG2 3.84Å; R304-T308 HydrophobicContact CG-CG2 4.18Å; R304-T308 VanDerWaalsContact O-CB 3.23Å; R304-T308 WeakPolarHBondContact O-CB 3.49Å; R304-T308 WeakPolarHBondContact O-CG2 3.48Å; R304-T308 PolarHBondContact O-N 3.47Å; R304-T308 PolarHBondContact O-OG1 3.23Å; I305-T308 PolarHBondContact O-N 3.28Å; I305-T308 PolarHBondContact O-OG1 2.91Å; I306-T308 VanDerWaalsContact C-N 3.34Å; I306-T308 PolarHBondContact O-N 3.14Å; T308-F312 WeakPolarHBondContact O-CD2 3.24Å
309R95.8Very high96.7Very high1 Ų115.6 Ų15.60%0.0049%0.088CC..Hα-helixtrans-107.2-18.5-174.5-54.2-47.8-65.8176.5-4.6114.5Y284 I305 I306 E311 F312 D313 L314 I317Y284-R309 HydrophobicContact CD1-CG 4.29Å; Y284-R309 HydrophobicContact CE1-CG 4.19Å; I305-R309 HydrophobicContact CG2-CG 4.17Å; I305-R309 VanDerWaalsContact O-CB 3.27Å; I305-R309 WeakPolarHBondContact O-CB 3.32Å; I305-R309 VanDerWaalsContact O-CG 3.24Å; I305-R309 WeakPolarHBondContact O-CG 3.25Å; I305-R309 PolarHBondContact O-N 2.81Å; I306-R309 PolarHBondContact O-N 2.83Å; R309-E311 PolarHBondContact O-N 3.49Å; R309-E311 VanDerWaalsContact O-N 3.09Å; R309-F312 PolarHBondContact O-N 3.4Å; R309-D313 IonicContact CZ-OD1 3.51Å; R309-D313 IonicContact CZ-OD2 2.87Å; R309-D313 IonicContact NE-OD1 3.6Å; R309-D313 PolarHBondContact NE-OD1 2.88Å; R309-D313 IonicContact NE-OD2 3.39Å; R309-D313 IonicContact NH2-OD1 2.73Å; R309-D313 PolarHBondContact NH2-OD1 3.45Å; R309-D313 VanDerWaalsContact NH2-OD1 3.08Å; R309-D313 IonicContact NH2-OD2 3.77Å; R309-D313 PolarHBondContact NH2-OD2 3.15Å; R309-D313 PolarHBondContact O-N 2.99Å; R309-L314 HydrophobicContact CB-CB 4.05Å; R309-L314 HydrophobicContact CB-CD1 4.37Å; R309-L314 WeakPolarHBondContact O-CB 3.46Å; R309-L314 PolarHBondContact O-N 3.4Å; R309-L314 VanDerWaalsContact O-N 3.16Å; R309-I317 HydrophobicContact CB-CD1 3.92Å; R309-I317 HydrophobicContact CG-CD1 3.95Å
310C96.9Very high96.8Very high0 Ų015.8 Ų15.80%09%0.089CC..THydrogen-bonded Turntrans-57.6-28.9-174.864.20000114.3P18 T19 L20 I306 V307 L314 L348P18-C310 VanDerWaalsContact CB-O 3.24Å; P18-C310 WeakPolarHBondContact CB-O 3.27Å; T19-C310 PolarHBondContact N-O 2.88Å; T19-C310 PolarHBondContact OG1-O 3.24Å; L20-C310 HydrophobicContact CB-CB 4.26Å; L20-C310 WeakPolarHBondContact CB-O 3.4Å; L20-C310 PolarHBondContact N-O 3.01Å; I306-C310 WeakPolarHBondContact O-CB 3.45Å; I306-C310 PolarHBondContact O-N 2.98Å; I306-C310 PolarHBondContact O-SG 3.24Å; I306-C310 VanDerWaalsContact O-SG 3.39Å; V307-C310 PolarHBondContact O-SG 3.31Å; V307-C310 VanDerWaalsContact O-SG 3.42Å; C310-L314 HydrophobicContact CB-CD2 3.78Å; C310-L348 HydrophobicContact CB-CB 4.39Å
311E94.5Very high96.9Very high30 Ų3013.1 Ų13.114%0.147%0.07CC..THydrogen-bonded Turntrans-88.2-2.1178.3-74.1171.4-135.300114L20 N57 S58 R61 R309L20-E311 HydrophobicContact CB-CG 4.41Å; L20-E311 HydrophobicContact CD2-CG 3.5Å; L20-E311 VanDerWaalsContact CD2-CG 3.5Å; N57-E311 WeakPolarHBondContact CA-OE1 3.3Å; N57-E311 HydrophobicContact CB-CG 4.24Å; N57-E311 WeakPolarHBondContact CB-OE2 3.46Å; S58-E311 WeakPolarHBondContact CB-OE2 3.43Å; S58-E311 VanDerWaalsContact N-CD 3.25Å; S58-E311 PolarHBondContact N-OE1 3.06Å; S58-E311 PolarHBondContact N-OE2 3.21Å; S58-E311 PolarHBondContact OG-OE2 3.28Å; R61-E311 IonicContact CZ-OE1 3.02Å; R61-E311 IonicContact NH1-OE1 2.59Å; R61-E311 IonicContact NH2-OE1 3.07Å; R61-E311 PolarHBondContact NH2-OE1 2.77Å; R309-E311 PolarHBondContact O-N 3.49Å; R309-E311 VanDerWaalsContact O-N 3.09Å
312F93.2Very high97.1Very high36 Ų3617.6 Ų17.616%0.1589%0.09CC..THydrogen-bonded Turntrans-126.4-76.9-169.7-62.5-82.9000113.4M1 R3 H17 P18 T308 R309M1-F312 HydrophobicContact CB-CZ 3.95Å; M1-F312 HydrophobicContact CE-CE2 4.15Å; M1-F312 HydrophobicContact CE-CZ 4.32Å; M1-F312 HydrophobicContact CG-CZ 4.27Å; M1-F312 HydrophobicContact SD-CE1 4.45Å; M1-F312 HydrophobicContact SD-CE2 3.62Å; M1-F312 HydrophobicContact SD-CZ 3.32Å; M1-F312 WeakPolarHBondContact SD-CZ 3.32Å; R3-F312 HydrophobicContact CB-CD1 4.22Å; R3-F312 HydrophobicContact CB-CE1 3.54Å; R3-F312 HydrophobicContact CB-CZ 3.69Å; R3-F312 HydrophobicContact CG-CE1 3.9Å; R3-F312 HydrophobicContact CG-CE2 3.96Å; R3-F312 HydrophobicContact CG-CZ 3.51Å; H17-F312 CarbonylContact C-O 3.52Å; P18-F312 WeakPolarHBondContact CA-O 3.49Å; P18-F312 WeakPolarHBondContact CD-O 3Å; T308-F312 WeakPolarHBondContact O-CD2 3.24Å; R309-F312 PolarHBondContact O-N 3.4Å
313D96.1Very high97.1Very high0 Ų024.4 Ų24.40%012%0.12CC..THydrogen-bonded Turntrans-134.87.6-168.667.4-16.5000113.5Y16 H17 R309 G315 S316 I317Y16-D313 HydrophobicContact CD2-CB 4.34Å; Y16-D313 HydrophobicContact CG-CB 4.27Å; H17-D313 CarbonylContact O-C 3.45Å; H17-D313 VanDerWaalsContact O-CA 3.27Å; H17-D313 WeakPolarHBondContact O-CA 3.47Å; R309-D313 IonicContact CZ-OD1 3.51Å; R309-D313 IonicContact CZ-OD2 2.87Å; R309-D313 IonicContact NE-OD1 3.6Å; R309-D313 PolarHBondContact NE-OD1 2.88Å; R309-D313 IonicContact NE-OD2 3.39Å; R309-D313 IonicContact NH2-OD1 2.73Å; R309-D313 PolarHBondContact NH2-OD1 3.45Å; R309-D313 VanDerWaalsContact NH2-OD1 3.08Å; R309-D313 IonicContact NH2-OD2 3.77Å; R309-D313 PolarHBondContact NH2-OD2 3.15Å; R309-D313 PolarHBondContact O-N 2.99Å; D313-G315 PolarHBondContact O-N 3.41Å; D313-S316 WeakPolarHBondContact O-CA 3.33Å; D313-S316 WeakPolarHBondContact O-CB 3.5Å; D313-S316 PolarHBondContact O-N 2.95Å; D313-I317 PolarHBondContact O-N 2.89Å; D313-I317 WeakPolarHBondContact OD1-CD1 3.28Å
314L97.7Very high97Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-57.2-26.7-178.3-171.155.8000112.9T19 I306 R309 C310 S316 I317 C318 L329 I349T19-L314 HydrophobicContact CG2-CB 3.89Å; T19-L314 HydrophobicContact CG2-CD2 4.36Å; T19-L314 HydrophobicContact CG2-CG 3.84Å; T19-L314 WeakPolarHBondContact OG1-CD2 3.37Å; I306-L314 HydrophobicContact CB-CD2 4.4Å; I306-L314 HydrophobicContact CG1-CD2 4.34Å; I306-L314 HydrophobicContact CG2-CD2 4.15Å; R309-L314 HydrophobicContact CB-CB 4.05Å; R309-L314 HydrophobicContact CB-CD1 4.37Å; R309-L314 WeakPolarHBondContact O-CB 3.46Å; R309-L314 PolarHBondContact O-N 3.4Å; R309-L314 VanDerWaalsContact O-N 3.16Å; C310-L314 HydrophobicContact CB-CD2 3.78Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-I317 HydrophobicContact CD1-CB 4.07Å; L314-I317 HydrophobicContact CD1-CD1 4.15Å; L314-I317 HydrophobicContact CD1-CG2 4.1Å; L314-I317 WeakPolarHBondContact O-CB 3.42Å; L314-I317 PolarHBondContact O-N 3.23Å; L314-C318 PolarHBondContact O-N 3.42Å; L314-C318 PolarHBondContact O-SG 2.87Å; L314-L329 HydrophobicContact CD1-CD2 4.34Å; L314-I349 HydrophobicContact CD2-CG2 4.01Å
315G98.1Very high97Very high8 Ų828.9 Ų28.98%0.08215%0.146CC..Hα-helixtrans-68.6-38.5176.300000111.4H17 D313 C318 I319H17-G315 VanDerWaalsContact NE2-C 3.27Å; H17-G315 WeakPolarHBondContact O-CA 3.32Å; H17-G315 PolarHBondContact O-N 3.49Å; D313-G315 PolarHBondContact O-N 3.41Å; G315-C318 WeakPolarHBondContact O-CB 3.41Å; G315-C318 PolarHBondContact O-N 2.69Å; G315-I319 WeakPolarHBondContact O-CG1 3.33Å; G315-I319 PolarHBondContact O-N 3.03Å
316S98Very high97Very high11 Ų1132.3 Ų32.38%0.07718%0.181CC..Hα-helixtrans-70.5-34.9173.4-54.70000112Y16 H17 D313 L314 I319 E320Y16-S316 VanDerWaalsContact CA-OG 3.28Å; Y16-S316 WeakPolarHBondContact CA-OG 3.49Å; Y16-S316 WeakPolarHBondContact CB-OG 3.24Å; H17-S316 PolarHBondContact CE1-OG 3.23Å; H17-S316 PolarHBondContact N-OG 3.38Å; H17-S316 PolarHBondContact ND1-OG 3.41Å; H17-S316 PolarHBondContact O-N 3.28Å; D313-S316 WeakPolarHBondContact O-CA 3.33Å; D313-S316 WeakPolarHBondContact O-CB 3.5Å; D313-S316 PolarHBondContact O-N 2.95Å; L314-S316 VanDerWaalsContact C-N 3.35Å; S316-I319 PolarHBondContact O-N 3.17Å; S316-E320 PolarHBondContact O-N 2.97Å; S316-E320 VanDerWaalsContact O-N 3.13Å
317I98.4Very high97Very high0 Ų034 Ų340%019%0.194CC..Hα-helixtrans-61.4-45.6171-65.7164.5000110.4P281 Y284 L288 R309 D313 L314 I319 E320 F321P281-I317 HydrophobicContact CB-CG1 4.16Å; Y284-I317 HydrophobicContact CD2-CD1 3.99Å; Y284-I317 HydrophobicContact CG-CD1 3.85Å; L288-I317 HydrophobicContact CD1-CG2 3.69Å; R309-I317 HydrophobicContact CB-CD1 3.92Å; R309-I317 HydrophobicContact CG-CD1 3.95Å; D313-I317 PolarHBondContact O-N 2.89Å; D313-I317 WeakPolarHBondContact OD1-CD1 3.28Å; L314-I317 HydrophobicContact CD1-CB 4.07Å; L314-I317 HydrophobicContact CD1-CD1 4.15Å; L314-I317 HydrophobicContact CD1-CG2 4.1Å; L314-I317 WeakPolarHBondContact O-CB 3.42Å; L314-I317 PolarHBondContact O-N 3.23Å; I317-I319 VanDerWaalsContact C-N 3.27Å; I317-I319 PolarHBondContact O-N 2.96Å; I317-E320 PolarHBondContact O-N 2.8Å; I317-F321 VanDerWaalsContact O-CB 3.29Å; I317-F321 WeakPolarHBondContact O-CB 3.38Å; I317-F321 PolarHBondContact O-N 2.92Å
318C98.5Very high97.1Very high28 Ų2835.4 Ų35.419%0.18920%0.202CC..Hα-helixtrans-57.7-38.6176.7-720000112.5L314 G315 F321 Q322L314-C318 PolarHBondContact O-N 3.42Å; L314-C318 PolarHBondContact O-SG 2.87Å; G315-C318 WeakPolarHBondContact O-CB 3.41Å; G315-C318 PolarHBondContact O-N 2.69Å; C318-F321 PolarHBondContact O-N 3.43Å; C318-Q322 WeakPolarHBondContact O-CB 3.37Å; C318-Q322 PolarHBondContact O-N 3.1Å
319I98Very high97.3Very high92 Ų9235.3 Ų35.347%0.47220%0.201SC..Hα-helixtrans-66.3-49.2177.7-68.2167.2000111.1H17 G315 S316 I317 F321 Q322 K323H17-I319 VanDerWaalsContact CE1-CD1 3.46Å; H17-I319 WeakPolarHBondContact CE1-CD1 3.42Å; G315-I319 WeakPolarHBondContact O-CG1 3.33Å; G315-I319 PolarHBondContact O-N 3.03Å; S316-I319 PolarHBondContact O-N 3.17Å; I317-I319 VanDerWaalsContact C-N 3.27Å; I317-I319 PolarHBondContact O-N 2.96Å; I319-F321 VanDerWaalsContact C-N 3.29Å; I319-F321 PolarHBondContact O-N 2.68Å; I319-Q322 PolarHBondContact O-N 3.33Å; I319-K323 WeakPolarHBondContact O-CB 3.49Å; I319-K323 PolarHBondContact O-N 3.43Å
320E97.6Very high97.4Very high33 Ų3338.3 Ų38.315%0.15422%0.215CC..Hα-helixtrans-65.3-33.9177-76.5-61.4154.300112P281 S316 I317 K323 S324P281-E320 HydrophobicContact CB-CB 4.37Å; P281-E320 HydrophobicContact CB-CG 3.97Å; S316-E320 PolarHBondContact O-N 2.97Å; S316-E320 VanDerWaalsContact O-N 3.13Å; I317-E320 PolarHBondContact O-N 2.8Å; E320-K323 PolarHBondContact O-N 3.19Å; E320-K323 IonicContact OE1-NZ 2.68Å; E320-K323 PolarHBondContact OE1-NZ 3.03Å; E320-K323 IonicContact OE2-NZ 2.77Å; E320-K323 PolarHBondContact OE2-NZ 3.19Å; E320-S324 VanDerWaalsContact O-CB 3.29Å; E320-S324 WeakPolarHBondContact O-CB 3.36Å; E320-S324 PolarHBondContact O-N 3.21Å; E320-S324 PolarHBondContact O-OG 3.46Å
321F98.4Very high97.4Very high0 Ų041.6 Ų41.60%023%0.233CC..Hα-helixtrans-60.8-52.3173.7-167.4-76.2000111.4S285 L288 V289 M292 I317 C318 I319 K323 S324 Q325 L329 W332S285-F321 WeakPolarHBondContact OG-CA 3.45Å; S285-F321 WeakPolarHBondContact OG-CD2 3.32Å; L288-F321 HydrophobicContact CB-CD2 4.15Å; L288-F321 HydrophobicContact CB-CE2 3.88Å; V289-F321 HydrophobicContact CG2-CD2 4.16Å; V289-F321 HydrophobicContact CG2-CE2 3.54Å; V289-F321 HydrophobicContact CG2-CZ 3.98Å; M292-F321 HydrophobicContact CE-CE2 3.87Å; M292-F321 HydrophobicContact CE-CZ 3.86Å; I317-F321 VanDerWaalsContact O-CB 3.29Å; I317-F321 WeakPolarHBondContact O-CB 3.38Å; I317-F321 PolarHBondContact O-N 2.92Å; C318-F321 PolarHBondContact O-N 3.43Å; I319-F321 VanDerWaalsContact C-N 3.29Å; I319-F321 PolarHBondContact O-N 2.68Å; F321-K323 VanDerWaalsContact C-N 3.33Å; F321-K323 PolarHBondContact O-N 3.29Å; F321-S324 PolarHBondContact O-N 3Å; F321-Q325 HydrophobicContact CD1-CB 4.31Å; F321-Q325 HydrophobicContact CD1-CG 4.1Å; F321-Q325 HydrophobicContact CE1-CB 4.1Å; F321-Q325 HydrophobicContact CE1-CG 3.86Å; F321-Q325 HydrophobicContact CE2-CG 4.46Å; F321-Q325 HydrophobicContact CG-CG 4.49Å; F321-Q325 HydrophobicContact CZ-CG 4.06Å; F321-Q325 WeakPolarHBondContact O-CB 3.26Å; F321-Q325 PolarHBondContact O-N 3.02Å; F321-L329 HydrophobicContact CD1-CB 4.1Å; F321-L329 HydrophobicContact CD2-CD1 4.31Å; F321-L329 HydrophobicContact CE1-CB 4.42Å; F321-L329 HydrophobicContact CE2-CD1 4.04Å; F321-L329 HydrophobicContact CG-CB 4.23Å; F321-L329 HydrophobicContact CZ-CD1 4.17Å; F321-W332 AromaticContact CE1-CD1 3.83Å; F321-W332 AromaticContact CE1-CD2 3.94Å; F321-W332 HydrophobicContact CE1-CD2 3.94Å; F321-W332 AromaticContact CE1-CE2 3.94Å; F321-W332 AromaticContact CE1-CG 3.87Å; F321-W332 HydrophobicContact CE1-CG 3.87Å; F321-W332 AromaticContact CE1-NE1 3.88Å; F321-W332 HydrophobicContact CZ-CB 4.39Å; F321-W332 AromaticContact CZ-CD2 3.6Å; F321-W332 HydrophobicContact CZ-CD2 3.6Å; F321-W332 AromaticContact CZ-CE2 3.9Å; F321-W332 AromaticContact CZ-CE3 3.83Å; F321-W332 HydrophobicContact CZ-CE3 3.83Å; F321-W332 AromaticContact CZ-CG 3.86Å; F321-W332 HydrophobicContact CZ-CG 3.86Å; F321-W332 HydrophobicContact CZ-CZ2 4.38Å; F321-W332 HydrophobicContact CZ-CZ3 4.3Å
322Q98.4Very high97.6Very high107 Ų10742 Ų4250%0.523%0.233SC..Hα-helixtrans-61.3-43.1178.9-175.3-180800112C318 I319 S324 G326 S327 T328C318-Q322 WeakPolarHBondContact O-CB 3.37Å; C318-Q322 PolarHBondContact O-N 3.1Å; I319-Q322 PolarHBondContact O-N 3.33Å; Q322-S324 VanDerWaalsContact C-N 3.3Å; Q322-S324 PolarHBondContact O-N 3.43Å; Q322-G326 WeakPolarHBondContact O-CA 3.38Å; Q322-G326 PolarHBondContact O-N 3.12Å; Q322-S327 WeakPolarHBondContact CA-O 3.24Å; Q322-T328 HydrophobicContact CG-CG2 4.18Å
323K98Very high97.8Very high144 Ų14440.3 Ų40.363%0.62623%0.226SC*.Hα-helixtrans-61-38.2177.5177-179.2157.6-148.60112.2I319 E320 F321I319-K323 WeakPolarHBondContact O-CB 3.49Å; I319-K323 PolarHBondContact O-N 3.43Å; E320-K323 PolarHBondContact O-N 3.19Å; E320-K323 IonicContact OE1-NZ 2.68Å; E320-K323 PolarHBondContact OE1-NZ 3.03Å; E320-K323 IonicContact OE2-NZ 2.77Å; E320-K323 PolarHBondContact OE2-NZ 3.19Å; F321-K323 VanDerWaalsContact C-N 3.33Å; F321-K323 PolarHBondContact O-N 3.29Å
324S96.6Very high97.8Very high46 Ų4644.6 Ų44.632%0.32224%0.242SC..Hα-helixtrans-85.7-38.6-175.4-55.30000113.4K282 E320 F321 Q322K282-S324 VanDerWaalsContact CE-OG 3.25Å; K282-S324 WeakPolarHBondContact CE-OG 3.41Å; E320-S324 VanDerWaalsContact O-CB 3.29Å; E320-S324 WeakPolarHBondContact O-CB 3.36Å; E320-S324 PolarHBondContact O-N 3.21Å; E320-S324 PolarHBondContact O-OG 3.46Å; F321-S324 PolarHBondContact O-N 3Å; Q322-S324 VanDerWaalsContact C-N 3.3Å; Q322-S324 PolarHBondContact O-N 3.43Å
325Q97.1Very high97.7Very high58 Ų5850.5 Ų50.527%0.27127%0.274SS..Hα-helixtrans-97.8-11.9-174.7-57.4-50.7-56.800113.8V289 F321 S327 W332V289-Q325 VanDerWaalsContact CG2-CD 3.45Å; V289-Q325 HydrophobicContact CG2-CG 3.63Å; F321-Q325 HydrophobicContact CD1-CB 4.31Å; F321-Q325 HydrophobicContact CD1-CG 4.1Å; F321-Q325 HydrophobicContact CE1-CB 4.1Å; F321-Q325 HydrophobicContact CE1-CG 3.86Å; F321-Q325 HydrophobicContact CE2-CG 4.46Å; F321-Q325 HydrophobicContact CG-CG 4.49Å; F321-Q325 HydrophobicContact CZ-CG 4.06Å; F321-Q325 WeakPolarHBondContact O-CB 3.26Å; F321-Q325 PolarHBondContact O-N 3.02Å; Q325-S327 PolarHBondContact O-N 2.61Å; Q325-S327 PolarHBondContact O-OG 3.22Å; Q325-W332 HydrophobicContact CB-CZ2 4.1Å; Q325-W332 HydrophobicContact CG-CZ2 4.1Å
326G97.4Very high97.5Very high71 Ų7154 Ų5473%0.73229%0.288SS*.SBendtrans70.45-176.700000114.8Q322Q322-G326 WeakPolarHBondContact O-CA 3.38Å; Q322-G326 PolarHBondContact O-N 3.12Å
327S97.4Very high97.4Very high37 Ų3754.1 Ų54.126%0.25929%0.288SS..SBendtrans-141.8153.7178.5410000109.1Q322 Q325 W332Q322-S327 WeakPolarHBondContact CA-O 3.24Å; Q325-S327 PolarHBondContact O-N 2.61Å; Q325-S327 PolarHBondContact O-OG 3.22Å; S327-W332 PolarHBondContact OG-NE1 3.26Å
328T98.2Very high97.3Very high37 Ų3758.4 Ų58.423%0.22732%0.318CS..  trans-79.2156.9-173.767.30000111.7Q322 E330 D331 W332Q322-T328 HydrophobicContact CG-CG2 4.18Å; T328-E330 PolarHBondContact O-N 3.5Å; T328-D331 PolarHBondContact N-OD2 3.15Å; T328-D331 VanDerWaalsContact N-OD2 3.1Å; T328-D331 PolarHBondContact O-N 3.41Å; T328-D331 VanDerWaalsContact O-N 3.17Å; T328-D331 PolarHBondContact OG1-N 3.07Å; T328-D331 PolarHBondContact OG1-OD2 3.5Å; T328-W332 VanDerWaalsContact O-CD1 3.28Å; T328-W332 PolarHBondContact O-N 3.27Å
329L98.3Very high97.3Very high3 Ų358.8 Ų58.82%0.01633%0.327CS..Hα-helixtrans-59.7-32.7169.8179.158.9000111.3L288 M292 L314 F321 W332 I333 I349L288-L329 HydrophobicContact CD1-CD1 4.19Å; L288-L329 HydrophobicContact CD1-CD2 3.84Å; M292-L329 HydrophobicContact CE-CD1 3.45Å; M292-L329 VanDerWaalsContact CE-CD1 3.45Å; M292-L329 HydrophobicContact SD-CD1 4.33Å; L314-L329 HydrophobicContact CD1-CD2 4.34Å; F321-L329 HydrophobicContact CD1-CB 4.1Å; F321-L329 HydrophobicContact CD2-CD1 4.31Å; F321-L329 HydrophobicContact CE1-CB 4.42Å; F321-L329 HydrophobicContact CE2-CD1 4.04Å; F321-L329 HydrophobicContact CG-CB 4.23Å; F321-L329 HydrophobicContact CZ-CD1 4.17Å; L329-W332 PolarHBondContact O-N 3.19Å; L329-I333 HydrophobicContact CD1-CD1 4.01Å; L329-I333 HydrophobicContact CD1-CG1 4.27Å; L329-I333 HydrophobicContact CD2-CD1 4.42Å; L329-I333 HydrophobicContact CG-CD1 3.8Å; L329-I333 HydrophobicContact CG-CG1 4.49Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 3.48Å; L329-I349 HydrophobicContact CD2-CG2 4.32Å
330E98.2Very high97.3Very high64 Ų6455.9 Ų55.930%0.29931%0.312SS..Hα-helixtrans-58.7-49.3172.8173.1175.9170.800111.8T328 W332 I333 R334 L346 I349 A351T328-E330 PolarHBondContact O-N 3.5Å; E330-W332 VanDerWaalsContact C-N 3.29Å; E330-W332 PolarHBondContact O-N 3.33Å; E330-I333 PolarHBondContact O-N 3.45Å; E330-R334 WeakPolarHBondContact O-CG 3.47Å; E330-R334 PolarHBondContact O-N 2.76Å; E330-R334 IonicContact OE1-CZ 2.6Å; E330-R334 VanDerWaalsContact OE1-CZ 3.32Å; E330-R334 IonicContact OE1-NE 3.53Å; E330-R334 PolarHBondContact OE1-NE 3.43Å; E330-R334 IonicContact OE1-NH2 3.68Å; E330-R334 PolarHBondContact OE1-NH2 2.93Å; E330-L346 HydrophobicContact CG-CD2 3.88Å; E330-I349 HydrophobicContact CB-CD1 3.98Å; E330-A351 HydrophobicContact CB-CB 4.5Å; E330-A351 HydrophobicContact CG-CB 4.05Å; E330-A351 WeakPolarHBondContact OE2-CB 3.5Å
331D97.5Very high97.3Very high69 Ų6954.9 Ų54.937%0.36931%0.307SS..Hα-helixtrans-59.5-42.3179.6-62.5-46000111.2T328 R334 N335T328-D331 PolarHBondContact N-OD2 3.15Å; T328-D331 VanDerWaalsContact N-OD2 3.1Å; T328-D331 PolarHBondContact O-N 3.41Å; T328-D331 VanDerWaalsContact O-N 3.17Å; T328-D331 PolarHBondContact OG1-N 3.07Å; T328-D331 PolarHBondContact OG1-OD2 3.5Å; D331-R334 PolarHBondContact O-N 3.41Å; D331-N335 PolarHBondContact O-N 3.5Å; D331-N335 VanDerWaalsContact O-N 3.1Å; D331-N335 PolarHBondContact O-ND2 2.59Å
332W97.7Very high97.3Very high38 Ų3856.6 Ų56.614%0.14432%0.315CS..Hα-helixtrans-64.4-47.1178-77.652.2000111.5V289 M292 K293 F321 Q325 S327 T328 L329 E330 R334 N335 E336V289-W332 HydrophobicContact CG1-CH2 4.19Å; V289-W332 HydrophobicContact CG1-CZ3 4.39Å; V289-W332 HydrophobicContact CG2-CH2 4.43Å; M292-W332 HydrophobicContact CB-CE3 3.82Å; M292-W332 HydrophobicContact CB-CZ3 4.19Å; M292-W332 HydrophobicContact CE-CB 4.13Å; M292-W332 HydrophobicContact CE-CE3 3.94Å; M292-W332 HydrophobicContact SD-CB 4.03Å; M292-W332 HydrophobicContact SD-CE3 4.44Å; K293-W332 HydrophobicContact CB-CH2 4.49Å; K293-W332 HydrophobicContact CB-CZ3 4.16Å; F321-W332 AromaticContact CE1-CD1 3.83Å; F321-W332 AromaticContact CE1-CD2 3.94Å; F321-W332 HydrophobicContact CE1-CD2 3.94Å; F321-W332 AromaticContact CE1-CE2 3.94Å; F321-W332 AromaticContact CE1-CG 3.87Å; F321-W332 HydrophobicContact CE1-CG 3.87Å; F321-W332 AromaticContact CE1-NE1 3.88Å; F321-W332 HydrophobicContact CZ-CB 4.39Å; F321-W332 AromaticContact CZ-CD2 3.6Å; F321-W332 HydrophobicContact CZ-CD2 3.6Å; F321-W332 AromaticContact CZ-CE2 3.9Å; F321-W332 AromaticContact CZ-CE3 3.83Å; F321-W332 HydrophobicContact CZ-CE3 3.83Å; F321-W332 AromaticContact CZ-CG 3.86Å; F321-W332 HydrophobicContact CZ-CG 3.86Å; F321-W332 HydrophobicContact CZ-CZ2 4.38Å; F321-W332 HydrophobicContact CZ-CZ3 4.3Å; Q325-W332 HydrophobicContact CB-CZ2 4.1Å; Q325-W332 HydrophobicContact CG-CZ2 4.1Å; S327-W332 PolarHBondContact OG-NE1 3.26Å; T328-W332 VanDerWaalsContact O-CD1 3.28Å; T328-W332 PolarHBondContact O-N 3.27Å; L329-W332 PolarHBondContact O-N 3.19Å; E330-W332 VanDerWaalsContact C-N 3.29Å; E330-W332 PolarHBondContact O-N 3.33Å; W332-R334 VanDerWaalsContact C-N 3.29Å; W332-R334 PolarHBondContact O-N 2.93Å; W332-N335 PolarHBondContact O-N 3.41Å; W332-N335 VanDerWaalsContact O-N 3.08Å; W332-E336 WeakPolarHBondContact O-CB 3.36Å; W332-E336 WeakPolarHBondContact O-CG 3.18Å; W332-E336 PolarHBondContact O-N 3.25Å
333I97.8Very high97.3Very high0 Ų055 Ų550%031%0.305CS..Hα-helixtrans-60.6-39.6177.8-73.2163.7000111.3M292 I306 L329 E330 N335 T337 Q342 L345 L346 I349M292-I333 HydrophobicContact SD-CG1 4.33Å; I306-I333 HydrophobicContact CD1-CD1 3.75Å; L329-I333 HydrophobicContact CD1-CD1 4.01Å; L329-I333 HydrophobicContact CD1-CG1 4.27Å; L329-I333 HydrophobicContact CD2-CD1 4.42Å; L329-I333 HydrophobicContact CG-CD1 3.8Å; L329-I333 HydrophobicContact CG-CG1 4.49Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 3.48Å; E330-I333 PolarHBondContact O-N 3.45Å; I333-N335 VanDerWaalsContact C-N 3.28Å; I333-N335 PolarHBondContact O-N 3.41Å; I333-T337 WeakPolarHBondContact O-CB 3.5Å; I333-T337 PolarHBondContact O-N 3.28Å; I333-T337 VanDerWaalsContact O-N 3.07Å; I333-T337 PolarHBondContact O-OG1 3.27Å; I333-Q342 HydrophobicContact CG2-CG 4.19Å; I333-L345 HydrophobicContact CG2-CB 3.92Å; I333-L345 HydrophobicContact CG2-CD1 4.04Å; I333-L346 HydrophobicContact CB-CD2 4.41Å; I333-L346 HydrophobicContact CG2-CD2 3.94Å; I333-L346 HydrophobicContact CG2-CG 4.13Å; I333-I349 HydrophobicContact CD1-CD1 3.78Å; I333-I349 HydrophobicContact CD1-CG2 4.1Å
334R97Very high97.4Very high90 Ų9048.2 Ų48.234%0.3428%0.275SS..Hα-helixtrans-65.4-30.6176.4-72.3-177.7-174.2-72.30.7113.5E330 D331 W332 L346 E352E330-R334 WeakPolarHBondContact O-CG 3.47Å; E330-R334 PolarHBondContact O-N 2.76Å; E330-R334 IonicContact OE1-CZ 2.6Å; E330-R334 VanDerWaalsContact OE1-CZ 3.32Å; E330-R334 IonicContact OE1-NE 3.53Å; E330-R334 PolarHBondContact OE1-NE 3.43Å; E330-R334 IonicContact OE1-NH2 3.68Å; E330-R334 PolarHBondContact OE1-NH2 2.93Å; D331-R334 PolarHBondContact O-N 3.41Å; W332-R334 VanDerWaalsContact C-N 3.29Å; W332-R334 PolarHBondContact O-N 2.93Å; R334-L346 HydrophobicContact CG-CD1 4.16Å; R334-L346 HydrophobicContact CG-CD2 4.18Å; R334-E352 PolarHBondContact NH2-O 3.11Å
335N95.4Very high97.5Very high125 Ų12546 Ų4667%0.66826%0.259SS*.Hα-helixtrans-86-35.7-178.9-67.9-28000112.3D331 W332 I333D331-N335 PolarHBondContact O-N 3.5Å; D331-N335 VanDerWaalsContact O-N 3.1Å; D331-N335 PolarHBondContact O-ND2 2.59Å; W332-N335 PolarHBondContact O-N 3.41Å; W332-N335 VanDerWaalsContact O-N 3.08Å; I333-N335 VanDerWaalsContact C-N 3.28Å; I333-N335 PolarHBondContact O-N 3.41Å
336E94.4Very high97.5Very high80 Ų8043.3 Ų43.337%0.37425%0.247SC..Hα-helixtrans-97.2-11.4-171.1-62.8-54.5136.600114M292 T297 W332M292-E336 HydrophobicContact CB-CG 4.31Å; T297-E336 PolarHBondContact OG1-O 3.41Å; W332-E336 WeakPolarHBondContact O-CB 3.36Å; W332-E336 WeakPolarHBondContact O-CG 3.18Å; W332-E336 PolarHBondContact O-N 3.25Å
337T96Very high97.6Very high14 Ų1439.9 Ų39.99%0.08621%0.212CC..  trans-130.1172.1-179.174.40000111.2L302 I333 Y341 Q342 L345L302-T337 HydrophobicContact CD2-CG2 3.98Å; I333-T337 WeakPolarHBondContact O-CB 3.5Å; I333-T337 PolarHBondContact O-N 3.28Å; I333-T337 VanDerWaalsContact O-N 3.07Å; I333-T337 PolarHBondContact O-OG1 3.27Å; T337-Y341 HydrophobicContact CG2-CD1 4.22Å; T337-Y341 HydrophobicContact CG2-CE1 3.5Å; T337-Y341 VanDerWaalsContact CG2-CE1 3.5Å; T337-Q342 PolarHBondContact O-OE1 3.17Å; T337-Q342 WeakPolarHBondContact OG1-CA 3.26Å; T337-Q342 WeakPolarHBondContact OG1-CB 3.45Å; T337-Q342 VanDerWaalsContact OG1-CG 3.3Å; T337-Q342 WeakPolarHBondContact OG1-CG 3.33Å; T337-L345 HydrophobicContact CG2-CD1 4.04Å
338S96.4Very high97.6Very high90 Ų9038.1 Ų38.163%0.62920%0.2SC*.  trans-153170.3177.6650000113.2Q342S338-Q342 PolarHBondContact O-N 3.37Å
339G97.5Very high97.6Very high36 Ų3637.2 Ų37.237%0.37119%0.193SC..Hα-helixtrans65.3-153.7173.600000114.2Y341 Q342 R343G339-Y341 PolarHBondContact O-N 3.18Å; G339-Q342 WeakPolarHBondContact O-CB 3.21Å; G339-Q342 PolarHBondContact O-N 3.22Å; G339-R343 WeakPolarHBondContact O-CG 3.09Å; G339-R343 PolarHBondContact O-N 3.37Å; G339-R343 VanDerWaalsContact O-N 3.11Å
340D98.1Very high97.5Very high32 Ų3237.8 Ų37.817%0.17120%0.2CC..Hα-helixtrans-68.8-23.3-177.7-59.6-58.8000113.3E46 I50 F88 R343 L344E46-D340 HydrophobicContact CB-CB 3.98Å; E46-D340 VanDerWaalsContact CB-CG 3.45Å; E46-D340 HydrophobicContact CG-CB 4.27Å; I50-D340 HydrophobicContact CD1-CB 4.21Å; F88-D340 HydrophobicContact CB-CB 4.31Å; F88-D340 HydrophobicContact CD1-CB 3.89Å; F88-D340 VanDerWaalsContact CD2-C 3.48Å; F88-D340 HydrophobicContact CD2-CB 3.72Å; F88-D340 WeakPolarHBondContact CD2-O 3.19Å; F88-D340 HydrophobicContact CE1-CB 4.08Å; F88-D340 HydrophobicContact CE2-CB 3.91Å; F88-D340 HydrophobicContact CG-CB 3.71Å; F88-D340 HydrophobicContact CZ-CB 4.09Å; D340-R343 PolarHBondContact O-N 3.46Å; D340-R343 IonicContact OD1-CZ 3.74Å; D340-R343 IonicContact OD1-NH1 3.68Å; D340-R343 PolarHBondContact OD1-NH1 3.23Å; D340-R343 IonicContact OD2-NH1 2.74Å; D340-L344 WeakPolarHBondContact O-CB 3.47Å; D340-L344 PolarHBondContact O-N 3.37Å
341Y98.3Very high97.5Very high12 Ų1235.3 Ų35.35%0.04719%0.19CC..Hα-helixtrans-60.1-54.1168.7168-132.2000111.3D87 L91 D299 M303 T337 G339 R343 L344 L345D87-Y341 HydrophobicContact CB-CD1 3.72Å; D87-Y341 HydrophobicContact CB-CD2 4.04Å; D87-Y341 HydrophobicContact CB-CE1 4.16Å; D87-Y341 HydrophobicContact CB-CE2 4.47Å; D87-Y341 HydrophobicContact CB-CG 3.64Å; L91-Y341 HydrophobicContact CB-CD2 4.38Å; L91-Y341 HydrophobicContact CD2-CD2 3.82Å; L91-Y341 HydrophobicContact CD2-CE2 4.04Å; D299-Y341 WeakPolarHBondContact OD1-CE1 3.4Å; D299-Y341 VanDerWaalsContact OD1-CZ 3.23Å; D299-Y341 PolarHBondContact OD1-OH 2.96Å; M303-Y341 HydrophobicContact CE-CD2 3.78Å; M303-Y341 HydrophobicContact CE-CE1 4.31Å; M303-Y341 HydrophobicContact CE-CE2 3.22Å; M303-Y341 HydrophobicContact CG-CE2 3.71Å; M303-Y341 HydrophobicContact SD-CE2 4.25Å; T337-Y341 HydrophobicContact CG2-CD1 4.22Å; T337-Y341 HydrophobicContact CG2-CE1 3.5Å; T337-Y341 VanDerWaalsContact CG2-CE1 3.5Å; G339-Y341 PolarHBondContact O-N 3.18Å; Y341-R343 VanDerWaalsContact C-N 3.3Å; Y341-R343 PolarHBondContact O-N 3.25Å; Y341-L344 PolarHBondContact O-N 3.34Å; Y341-L345 HydrophobicContact CD2-CD1 4.09Å; Y341-L345 HydrophobicContact CD2-CG 3.99Å; Y341-L345 HydrophobicContact CE1-CD1 4.13Å; Y341-L345 HydrophobicContact CE2-CD1 3.38Å; Y341-L345 HydrophobicContact CE2-CD2 3.89Å; Y341-L345 HydrophobicContact CE2-CG 3.56Å; Y341-L345 VanDerWaalsContact CZ-CD1 3.43Å; Y341-L345 WeakPolarHBondContact O-CG 3.35Å; Y341-L345 PolarHBondContact O-N 2.86Å
342Q98.2Very high97.3Very high35 Ų3540 Ų4016%0.16421%0.21CC..Hα-helixtrans-56-46.6175.1-178.4-170.1-46.400110.9I333 T337 S338 G339 L344 L345 L346I333-Q342 HydrophobicContact CG2-CG 4.19Å; T337-Q342 PolarHBondContact O-OE1 3.17Å; T337-Q342 WeakPolarHBondContact OG1-CA 3.26Å; T337-Q342 WeakPolarHBondContact OG1-CB 3.45Å; T337-Q342 VanDerWaalsContact OG1-CG 3.3Å; T337-Q342 WeakPolarHBondContact OG1-CG 3.33Å; S338-Q342 PolarHBondContact O-N 3.37Å; G339-Q342 WeakPolarHBondContact O-CB 3.21Å; G339-Q342 PolarHBondContact O-N 3.22Å; Q342-L344 VanDerWaalsContact C-N 3.32Å; Q342-L344 PolarHBondContact O-N 3.44Å; Q342-L345 PolarHBondContact O-N 2.87Å; Q342-L346 HydrophobicContact CG-CD1 3.87Å; Q342-L346 HydrophobicContact CG-CG 4.21Å; Q342-L346 WeakPolarHBondContact O-CB 3.36Å; Q342-L346 VanDerWaalsContact O-CG 3.25Å; Q342-L346 WeakPolarHBondContact O-CG 3.47Å; Q342-L346 PolarHBondContact O-N 2.65Å
343R98.6Very high97.2Very high75 Ų7538.6 Ų38.628%0.28321%0.205SC..Hα-helixtrans-59.2-42.7-178.8-69.3178.6-175.3109.86.3112.3I50 G339 D340 Y341 L346 A347 W353I50-R343 HydrophobicContact CD1-CB 3.64Å; G339-R343 WeakPolarHBondContact O-CG 3.09Å; G339-R343 PolarHBondContact O-N 3.37Å; G339-R343 VanDerWaalsContact O-N 3.11Å; D340-R343 PolarHBondContact O-N 3.46Å; D340-R343 IonicContact OD1-CZ 3.74Å; D340-R343 IonicContact OD1-NH1 3.68Å; D340-R343 PolarHBondContact OD1-NH1 3.23Å; D340-R343 IonicContact OD2-NH1 2.74Å; Y341-R343 VanDerWaalsContact C-N 3.3Å; Y341-R343 PolarHBondContact O-N 3.25Å; R343-L346 PolarHBondContact O-N 2.97Å; R343-A347 PolarHBondContact O-N 3.33Å; R343-W353 HydrophobicContact CB-CB 4.25Å; R343-W353 HydrophobicContact CB-CD2 4.33Å; R343-W353 HydrophobicContact CB-CE3 3.72Å; R343-W353 HydrophobicContact CB-CZ3 4.42Å; R343-W353 HydrophobicContact CG-CE3 3.95Å; R343-W353 WeakPolarHBondContact O-CB 3.3Å
344L98.6Very high96.6Very high0 Ų047.2 Ų47.20%025%0.245CC..Hα-helixtrans-68.9-40.5178-176.152.8000112I50 F88 L91 L92 L95 D340 Y341 Q342 L346 A347 L348I50-L344 HydrophobicContact CD1-CB 4.29Å; I50-L344 HydrophobicContact CG1-CB 4.1Å; I50-L344 HydrophobicContact CG1-CD1 4.3Å; I50-L344 HydrophobicContact CG2-CD1 4.17Å; F88-L344 HydrophobicContact CD2-CB 4.33Å; F88-L344 HydrophobicContact CD2-CD2 4.15Å; F88-L344 HydrophobicContact CE2-CB 4.1Å; F88-L344 HydrophobicContact CE2-CD2 3.83Å; L91-L344 HydrophobicContact CB-CD2 4.36Å; L91-L344 HydrophobicContact CD2-CB 3.85Å; L91-L344 HydrophobicContact CD2-CD2 3.69Å; L91-L344 HydrophobicContact CD2-CG 3.63Å; L91-L344 HydrophobicContact CG-CD2 3.71Å; L91-L344 HydrophobicContact CG-CG 4.11Å; L92-L344 HydrophobicContact CD2-CD2 3.75Å; L92-L344 HydrophobicContact CG-CD2 4.12Å; L95-L344 HydrophobicContact CD1-CD2 4.23Å; L95-L344 HydrophobicContact CD2-CD1 4.41Å; D340-L344 WeakPolarHBondContact O-CB 3.47Å; D340-L344 PolarHBondContact O-N 3.37Å; Y341-L344 PolarHBondContact O-N 3.34Å; Q342-L344 VanDerWaalsContact C-N 3.32Å; Q342-L344 PolarHBondContact O-N 3.44Å; L344-L346 VanDerWaalsContact C-N 3.34Å; L344-L346 PolarHBondContact O-N 2.65Å; L344-A347 PolarHBondContact O-N 3.42Å; L344-L348 HydrophobicContact CD1-CG 4.46Å; L344-L348 HydrophobicContact CG-CD1 4.4Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.25Å; L344-L348 PolarHBondContact O-N 3.07Å
345L98.6Very high96.5Very high0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-58.9-46.8172.4-70.1-177000111.6L91 L302 I306 I333 T337 Y341 Q342 A347 L348 I349L91-L345 HydrophobicContact CD1-CD2 4.33Å; L91-L345 HydrophobicContact CD2-CD2 3.57Å; L91-L345 HydrophobicContact CD2-CG 3.94Å; L302-L345 HydrophobicContact CD2-CD1 3.92Å; L302-L345 HydrophobicContact CG-CD1 4.28Å; I306-L345 HydrophobicContact CB-CD2 4.32Å; I306-L345 HydrophobicContact CD1-CB 4.48Å; I306-L345 HydrophobicContact CD1-CD1 4.45Å; I306-L345 HydrophobicContact CD1-CD2 3.7Å; I306-L345 HydrophobicContact CD1-CG 4.44Å; I306-L345 HydrophobicContact CG2-CD2 4.14Å; I333-L345 HydrophobicContact CG2-CB 3.92Å; I333-L345 HydrophobicContact CG2-CD1 4.04Å; T337-L345 HydrophobicContact CG2-CD1 4.04Å; Y341-L345 HydrophobicContact CD2-CD1 4.09Å; Y341-L345 HydrophobicContact CD2-CG 3.99Å; Y341-L345 HydrophobicContact CE1-CD1 4.13Å; Y341-L345 HydrophobicContact CE2-CD1 3.38Å; Y341-L345 HydrophobicContact CE2-CD2 3.89Å; Y341-L345 HydrophobicContact CE2-CG 3.56Å; Y341-L345 VanDerWaalsContact CZ-CD1 3.43Å; Y341-L345 WeakPolarHBondContact O-CG 3.35Å; Y341-L345 PolarHBondContact O-N 2.86Å; Q342-L345 PolarHBondContact O-N 2.87Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 3.39Å; L345-L348 PolarHBondContact O-N 2.65Å; L345-L348 VanDerWaalsContact O-N 3.12Å; L345-I349 PolarHBondContact O-N 2.81Å
346L98.7Very high96.6Very high1 Ų140.9 Ų40.91%0.00522%0.218CC..Hα-helixtrans-59.9-41.1177.7-71.3176.8000111.9E330 I333 R334 Q342 R343 L344 L348 I349 G350 A351 W353E330-L346 HydrophobicContact CG-CD2 3.88Å; I333-L346 HydrophobicContact CB-CD2 4.41Å; I333-L346 HydrophobicContact CG2-CD2 3.94Å; I333-L346 HydrophobicContact CG2-CG 4.13Å; R334-L346 HydrophobicContact CG-CD1 4.16Å; R334-L346 HydrophobicContact CG-CD2 4.18Å; Q342-L346 HydrophobicContact CG-CD1 3.87Å; Q342-L346 HydrophobicContact CG-CG 4.21Å; Q342-L346 WeakPolarHBondContact O-CB 3.36Å; Q342-L346 VanDerWaalsContact O-CG 3.25Å; Q342-L346 WeakPolarHBondContact O-CG 3.47Å; Q342-L346 PolarHBondContact O-N 2.65Å; R343-L346 PolarHBondContact O-N 2.97Å; L344-L346 VanDerWaalsContact C-N 3.34Å; L344-L346 PolarHBondContact O-N 2.65Å; L346-L348 PolarHBondContact O-N 2.71Å; L346-I349 HydrophobicContact CD2-CD1 3.9Å; L346-I349 VanDerWaalsContact O-CG1 3.28Å; L346-I349 WeakPolarHBondContact O-CG1 3.48Å; L346-I349 PolarHBondContact O-N 3.26Å; L346-G350 PolarHBondContact O-N 3.08Å; L346-A351 HydrophobicContact CB-CB 4.27Å; L346-A351 HydrophobicContact CD2-CB 4.03Å; L346-A351 WeakPolarHBondContact O-CB 3.39Å; L346-A351 PolarHBondContact O-N 3.1Å; L346-W353 HydrophobicContact CB-CB 3.68Å; L346-W353 HydrophobicContact CD1-CB 4.23Å
347A98.3Very high96.7Very high0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-60.3-43.9173.900000112.2I50 Y55 R343 L344 L345 I349 G350 W353I50-A347 HydrophobicContact CG2-CB 3.95Å; Y55-A347 HydrophobicContact CE2-CB 4.25Å; R343-A347 PolarHBondContact O-N 3.33Å; L344-A347 PolarHBondContact O-N 3.42Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 3.39Å; A347-I349 PolarHBondContact O-N 2.84Å; A347-G350 PolarHBondContact O-N 3.05Å; A347-W353 HydrophobicContact CB-CG 4.31Å
348L98.4Very high96.8Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-68.4-32.8-178.8-67.7169.4000113.4T19 L20 L91 L95 I306 V307 C310 L344 L345 L346 G350T19-L348 WeakPolarHBondContact CB-O 3.39Å; T19-L348 PolarHBondContact OG1-O 2.9Å; L20-L348 HydrophobicContact CD1-CD2 3.8Å; L91-L348 HydrophobicContact CD1-CD1 4.28Å; L95-L348 HydrophobicContact CD1-CD1 3.95Å; L95-L348 HydrophobicContact CD2-CD2 4.07Å; I306-L348 HydrophobicContact CG2-CB 3.62Å; I306-L348 HydrophobicContact CG2-CD1 3.83Å; I306-L348 HydrophobicContact CG2-CG 4.39Å; V307-L348 HydrophobicContact CG2-CD1 4.37Å; C310-L348 HydrophobicContact CB-CB 4.39Å; L344-L348 HydrophobicContact CD1-CG 4.46Å; L344-L348 HydrophobicContact CG-CD1 4.4Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.25Å; L344-L348 PolarHBondContact O-N 3.07Å; L345-L348 PolarHBondContact O-N 2.65Å; L345-L348 VanDerWaalsContact O-N 3.12Å; L346-L348 PolarHBondContact O-N 2.71Å; L348-G350 PolarHBondContact O-N 3.02Å
349I97.8Very high96.8Very high17 Ų1737.1 Ų37.19%0.08719%0.191CC..THydrogen-bonded Turntrans-82.41.3172.973.2176.9000112.8T19 I306 L314 L329 E330 I333 L345 L346 A347 A351T19-I349 VanDerWaalsContact CB-C 3.45Å; T19-I349 WeakPolarHBondContact CB-O 3.24Å; T19-I349 HydrophobicContact CG2-CB 4.5Å; T19-I349 WeakPolarHBondContact CG2-O 3.47Å; I306-I349 HydrophobicContact CD1-CG2 4.24Å; I306-I349 HydrophobicContact CG1-CG2 4.39Å; I306-I349 HydrophobicContact CG2-CG2 4.32Å; L314-I349 HydrophobicContact CD2-CG2 4.01Å; L329-I349 HydrophobicContact CD2-CG2 4.32Å; E330-I349 HydrophobicContact CB-CD1 3.98Å; I333-I349 HydrophobicContact CD1-CD1 3.78Å; I333-I349 HydrophobicContact CD1-CG2 4.1Å; L345-I349 PolarHBondContact O-N 2.81Å; L346-I349 HydrophobicContact CD2-CD1 3.9Å; L346-I349 VanDerWaalsContact O-CG1 3.28Å; L346-I349 WeakPolarHBondContact O-CG1 3.48Å; L346-I349 PolarHBondContact O-N 3.26Å; A347-I349 PolarHBondContact O-N 2.84Å; I349-A351 VanDerWaalsContact C-N 3.35Å; I349-A351 HydrophobicContact CD1-CB 4.06Å; I349-A351 HydrophobicContact CG1-CB 3.86Å
350G96.8Very high96.7Very high16 Ų1637.1 Ų37.117%0.16518%0.179CC..THydrogen-bonded Turntrans79.512.317700000115K21 L346 A347 L348K21-G350 WeakPolarHBondContact CE-O 3.49Å; K21-G350 PolarHBondContact NZ-O 2.71Å; L346-G350 PolarHBondContact O-N 3.08Å; A347-G350 PolarHBondContact O-N 3.05Å; L348-G350 PolarHBondContact O-N 3.02Å
351A97.1Very high96.6Very high11 Ų1137.5 Ų37.59%0.09118%0.179CC..  trans-81.7162.7177.600000112.5E330 L346 I349E330-A351 HydrophobicContact CB-CB 4.5Å; E330-A351 HydrophobicContact CG-CB 4.05Å; E330-A351 WeakPolarHBondContact OE2-CB 3.5Å; L346-A351 HydrophobicContact CB-CB 4.27Å; L346-A351 HydrophobicContact CD2-CB 4.03Å; L346-A351 WeakPolarHBondContact O-CB 3.39Å; L346-A351 PolarHBondContact O-N 3.1Å; I349-A351 VanDerWaalsContact C-N 3.35Å; I349-A351 HydrophobicContact CD1-CB 4.06Å; I349-A351 HydrophobicContact CG1-CB 3.86Å
352E94.5Very high96.5Very high167 Ų16739.5 Ų39.578%0.7819%0.189SC*.  trans-74.4125.8170.5-68.1-170.5167.100109.8R334R334-E352 PolarHBondContact NH2-O 3.11Å
353W94.7Very high96.4Very high9 Ų939.8 Ų39.83%0.03419%0.191CC..  trans-118.6-3.7-175.960.4-92.6000113.7H47 I50 K51 Y55 R343 L346 A347H47-W353 HydrophobicContact CB-CH2 4.28Å; H47-W353 HydrophobicContact CB-CZ3 4.35Å; H47-W353 AromaticContact CD2-CZ3 3.59Å; I50-W353 HydrophobicContact CB-CH2 3.9Å; I50-W353 HydrophobicContact CB-CZ2 4.12Å; I50-W353 HydrophobicContact CB-CZ3 4.33Å; I50-W353 HydrophobicContact CD1-CZ3 4.34Å; I50-W353 HydrophobicContact CG2-CD2 4.04Å; I50-W353 HydrophobicContact CG2-CE3 4.25Å; I50-W353 HydrophobicContact CG2-CH2 3.75Å; I50-W353 HydrophobicContact CG2-CZ2 3.52Å; I50-W353 HydrophobicContact CG2-CZ3 4.11Å; K51-W353 HydrophobicContact CG-CH2 3.99Å; K51-W353 HydrophobicContact CG-CZ2 3.72Å; Y55-W353 AromaticContact CE2-NE1 3.74Å; Y55-W353 AromaticContact CZ-NE1 3.78Å; Y55-W353 PolarHBondContact OH-NE1 2.92Å; R343-W353 HydrophobicContact CB-CB 4.25Å; R343-W353 HydrophobicContact CB-CD2 4.33Å; R343-W353 HydrophobicContact CB-CE3 3.72Å; R343-W353 HydrophobicContact CB-CZ3 4.42Å; R343-W353 HydrophobicContact CG-CE3 3.95Å; R343-W353 WeakPolarHBondContact O-CB 3.3Å; L346-W353 HydrophobicContact CB-CB 3.68Å; L346-W353 HydrophobicContact CD1-CB 4.23Å; A347-W353 HydrophobicContact CB-CG 4.31Å
354Q84.2Confident96.2Very high182 Ų18236.6 Ų36.685%0.8518%0.183SC*.  trans-81.20-174-61.2-166.9-38.200113

Retrieved 354 of 354 residues in 1155.2 ms (Link to these results)

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