A0A5K4F8C9_SCHMA Loading...

CULLIN_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8C9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 815 aa.

						>A0A5K4F8C9_SCHMA|A0A5K4F8C9
MSTGSSARRTEVTNAKVRIKAFPPSIDERYANQLWDQIKSAIIEIQKKNNSCLSFEELYRNAYTLILQKHGERLYAGTEAVVREHMIKIRDSIVENLNNKFLTYLSSCWKDHQTAMGMIRDILMYMDRVYVGPHNLDGVYKMGMTVFCDLVVRYPIIREHLQKTLLDMVRRERRGEVISRSQIRDACQMFVQLGAGSLRVYLEDFEQPFLEQSREFYRSESENFLAENTSASLYIKKVKQRIEEEVRRAHHHLDPSTEPKIVVVLEEELISRHMETIVGMEDSGLTYMLTHDHFSDIAAMYGVLSRVEEGPKIMSNYISLYLREQGRNTVRDTGTSTPQQHIQDLLQLRDCANELLTRALNDQTIFRNQINSDFEYFVNLNPRSPEFLSLFIDEKLKRGTKGMADQDVDAIFDKCIVLFRYLQEKDLFEGYYKKHLAKRLLLSKSQSDDQEKIMISKLMAECGAVYTSKLEGMFKDMAVSKTLMDEFNIVLSNGNRNLNLDLCVRVLTTGLWPTQVTNSNEALPEEADTAFKVYKNFYLSKHNGRKINLQTNMGYAELSAVFYGRPNADISTPQISSVTDSHTHGFLIHGSSSASLNQMTSQSSQQSPISGLPGSPGAPKSLDPPNSISTTSRSNVRKYFLQVSTYQMIILMKFNRRNRYSFIELASETNIPERELKRSLMALALGRCSQRILCKEPKTRDIESTDVFYVNDSFVSKHIKVRVQGITVKESEPERQETRTKVDENRRYVIEATIMRVMKARKTLSHGQLVVEVIEQLKSRFVPTPVMIKQRIESLIEREFLARLEDDRRVYKYLA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	34.5	Very low	34.9	Very low	248 Å²	248	157.1 Å²	157.1	100%	1.222	88%	0.881	S	S	*	*				0	156	0	-73.3	171.4	171.4	0	0	108.4
2	S	33.2	Very low	35.3	Very low	117 Å²	117	155.2 Å²	155.2	82%	0.818	88%	0.875	S	S	*	*			trans	-99.3	133.1	-173.9	-175	0	0	0	0	112.1
3	T	40.4	Very low	35.6	Very low	142 Å²	142	152.7 Å²	152.7	87%	0.871	87%	0.866	S	S	*	*			trans	-139.6	96.1	163.8	40.5	0	0	0	0	108.6
4	G	31.4	Very low	35.4	Very low	77 Å²	77	152.4 Å²	152.4	79%	0.794	86%	0.861	S	S	*	*			trans	-74	140.1	178.7	0	0	0	0	0	112.2
5	S	36.6	Very low	35.5	Very low	127 Å²	127	147.9 Å²	147.9	89%	0.888	85%	0.85	S	S	*	*			trans	-100.4	121.4	169.6	-170.6	0	0	0	0	109.8	A7	S5-A7 PolarHBondContact O-N 3.48Å
6	S	35.8	Very low	35.6	Very low	119 Å²	119	150.3 Å²	150.3	83%	0.832	85%	0.847	S	S	*	*			trans	-83.4	113.3	-177.2	-168.8	0	0	0	0	110.6
7	A	37.3	Very low	35.9	Very low	91 Å²	91	149.2 Å²	149.2	75%	0.752	85%	0.845	S	S	*	*			trans	-71.2	134.9	178.8	0	0	0	0	0	111.5	S5 R9	S5-A7 PolarHBondContact O-N 3.48Å; A7-R9 PolarHBondContact O-N 3.27Å
8	R	34.7	Very low	35.8	Very low	239 Å²	239	153.8 Å²	153.8	90%	0.902	85%	0.846	S	S	*	*			trans	-57.1	128.3	173.4	-82.3	177.7	165.4	167.6	-5.8	110.5	T10	R8-T10 PolarHBondContact O-N 3.08Å
9	R	30.4	Very low	36.3	Very low	250 Å²	250	153.6 Å²	153.6	94%	0.943	84%	0.842	S	S	*	*			trans	-72.2	108.1	156.2	-78.5	-177.9	171.5	173.8	-2.8	108.5	A7	A7-R9 PolarHBondContact O-N 3.27Å
10	T	38.2	Very low	36.6	Very low	124 Å²	124	155.2 Å²	155.2	76%	0.761	84%	0.84	S	S	*	*			trans	-86.2	135.8	158.5	9.9	0	0	0	0	109.1	R8 V12	R8-T10 PolarHBondContact O-N 3.08Å; T10-V12 PolarHBondContact O-N 3.14Å
11	E	31.1	Very low	36.7	Very low	194 Å²	194	152.4 Å²	152.4	91%	0.907	84%	0.839	S	S	*	*			trans	-76.4	103.4	179.8	-62.7	-178.2	133.3	0	0	110.3
12	V	39.5	Very low	37.3	Very low	134 Å²	134	146.9 Å²	146.9	81%	0.812	81%	0.808	S	S	*	*			trans	-85.2	119.3	167.2	-179.8	0	0	0	0	108	T10	T10-V12 PolarHBondContact O-N 3.14Å
13	T	39.4	Very low	38.1	Very low	123 Å²	123	145.1 Å²	145.1	76%	0.755	79%	0.794	S	S	*	*			trans	-63.2	141.9	-178.7	45.8	0	0	0	0	111.4	A15	T13-A15 VanDerWaalsContact C-N 3.26Å; T13-A15 PolarHBondContact O-N 3.41Å
14	N	32.9	Very low	38.7	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	79%	0.788	S	S	*	*			trans	-78.6	70.6	-167.6	-163.2	-14.9	0	0	0	112.2	K16	N14-K16 VanDerWaalsContact C-N 3.35Å; N14-K16 PolarHBondContact O-N 3.03Å
15	A	37.3	Very low	40.1	Very low	84 Å²	84	145.3 Å²	145.3	69%	0.694	79%	0.786	S	S	*	*			trans	-69.3	86.1	177.9	0	0	0	0	0	110.7	T13 V17	T13-A15 VanDerWaalsContact C-N 3.26Å; T13-A15 PolarHBondContact O-N 3.41Å; A15-V17 PolarHBondContact O-N 3.12Å
16	K	37.4	Very low	41.4	Very low	186 Å²	186	140.4 Å²	140.4	81%	0.809	75%	0.75	S	S	*	*			trans	-52	109.2	174.3	-74.6	-176.4	175.9	179.3	0	110.4	N14 R18	N14-K16 VanDerWaalsContact C-N 3.35Å; N14-K16 PolarHBondContact O-N 3.03Å; K16-R18 PolarHBondContact O-N 3.34Å
17	V	39.7	Very low	43.2	Very low	133 Å²	133	139.4 Å²	139.4	81%	0.806	74%	0.735	S	S	*	*			trans	-60.9	102.1	172.8	177.7	0	0	0	0	108.3	A15 I19	A15-V17 PolarHBondContact O-N 3.12Å; V17-I19 PolarHBondContact O-N 2.82Å
18	R	35.2	Very low	45.4	Very low	231 Å²	231	141.2 Å²	141.2	87%	0.872	73%	0.728	S	S	*	*			trans	-78.5	91.7	-176.1	-155.2	177.7	-167.3	179.4	2.7	108.1	K16 K20	K16-R18 PolarHBondContact O-N 3.34Å; R18-K20 PolarHBondContact O-N 3.25Å
19	I	44.4	Very low	47.7	Very low	150 Å²	150	138.6 Å²	138.6	77%	0.769	72%	0.718	S	S	*	*			trans	-52.4	110.5	168.7	-59.4	174.2	0	0	0	106.7	V17 A21	V17-I19 PolarHBondContact O-N 2.82Å; I19-A21 PolarHBondContact O-N 3.49Å
20	K	42.1	Very low	50.4	Low	185 Å²	185	132 Å²	132	80%	0.804	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-64.8	133.8	173.8	-75.9	-177	175.3	-178.7	0	107.5	R18 F22	R18-K20 PolarHBondContact O-N 3.25Å; K20-F22 PolarHBondContact O-N 3.47Å
21	A	39.8	Very low	52.8	Low	97 Å²	97	126.1 Å²	126.1	80%	0.802	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56.3	135.7	166.6	0	0	0	0	0	108.6	I19	I19-A21 PolarHBondContact O-N 3.49Å
22	F	47.5	Very low	55.6	Low	132 Å²	132	119.2 Å²	119.2	58%	0.579	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-63.2	144	178.2	-78	-94.4	0	0	0	110	K20 L67	K20-F22 PolarHBondContact O-N 3.47Å; F22-L67 HydrophobicContact CD1-CD2 4.04Å; F22-L67 HydrophobicContact CE1-CD2 3.47Å; F22-L67 VanDerWaalsContact CE1-CD2 3.47Å; F22-L67 HydrophobicContact CZ-CD2 3.94Å
23	P	49.6	Very low	58.1	Low	80 Å²	80	118.4 Å²	118.4	52%	0.519	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-64.2	157.5	172	30.2	-35.3	0	0	0	110.3
24	P	52.8	Low	60.6	Low	115 Å²	115	112.7 Å²	112.7	75%	0.747	58%	0.579	S	S	*	*	S	Bend	trans	-58.3	170.2	161.6	30	-35.6	0	0	0	110.4	I26	P24-I26 PolarHBondContact O-N 3.39Å
25	S	59.8	Low	63.6	Low	109 Å²	109	106.7 Å²	106.7	76%	0.762	55%	0.546	S	S	*	.	S	Bend	trans	-35.1	120.9	-177	52.6	0	0	0	0	113.3	D27	S25-D27 PolarHBondContact O-N 3.26Å
26	I	64.5	Low	66.2	Low	24 Å²	24	106.4 Å²	106.4	12%	0.123	53%	0.533	C	S	.	.			trans	-55.8	132.5	179.8	-82.3	176.7	0	0	0	110.4	P24 E28 Y30 A31 L34 T64 Q68	P24-I26 PolarHBondContact O-N 3.39Å; I26-E28 PolarHBondContact O-N 3.27Å; I26-Y30 HydrophobicContact CD1-CD1 3.72Å; I26-Y30 HydrophobicContact CD1-CE1 3.81Å; I26-Y30 HydrophobicContact CG1-CD1 3.93Å; I26-Y30 HydrophobicContact CG1-CE1 4.35Å; I26-Y30 HydrophobicContact CG2-CD1 3.83Å; I26-Y30 HydrophobicContact CG2-CG 4.44Å; I26-A31 HydrophobicContact CG2-CB 3.91Å; I26-L34 HydrophobicContact CD1-CD1 4.42Å; I26-T64 HydrophobicContact CD1-CG2 3.73Å; I26-Q68 HydrophobicContact CD1-CG 3.66Å; I26-Q68 HydrophobicContact CG1-CG 4.2Å
27	D	74	Confident	68.9	Low	98 Å²	98	102 Å²	102	52%	0.524	52%	0.515	S	S	.	.			trans	-57.8	131.1	164.8	173.2	8.3	0	0	0	108.7	S25 R29 Y30 A31	S25-D27 PolarHBondContact O-N 3.26Å; D27-R29 PolarHBondContact O-N 3.45Å; D27-R29 PolarHBondContact OD1-N 3.43Å; D27-R29 VanDerWaalsContact OD1-N 3.12Å; D27-R29 WeakPolarHBondContact OD2-CD 3.31Å; D27-Y30 PolarHBondContact O-N 3.2Å; D27-A31 PolarHBondContact O-N 3.44Å
28	E	83.1	Confident	71.5	Confident	129 Å²	129	95.7 Å²	95.7	60%	0.603	48%	0.477	S	S	*	.	H	α-helix	trans	-50	-30.1	179.8	-171.9	171.6	-131.5	0	0	112.3	I26 Y30 A31 N32	I26-E28 PolarHBondContact O-N 3.27Å; E28-Y30 PolarHBondContact O-N 3.15Å; E28-A31 PolarHBondContact O-N 2.97Å; E28-N32 PolarHBondContact O-N 3.13Å; E28-N32 PolarHBondContact O-ND2 2.61Å; E28-N32 PolarHBondContact O-OD1 3.47Å; E28-N32 VanDerWaalsContact O-OD1 3.14Å
29	R	83.7	Confident	74.4	Confident	183 Å²	183	88.2 Å²	88.2	69%	0.691	45%	0.45	S	S	*	.	H	α-helix	trans	-60.2	-39.3	172.8	-64	-179.8	170.3	-154.8	-3	114.1	D27 N32 Q33	D27-R29 PolarHBondContact O-N 3.45Å; D27-R29 PolarHBondContact OD1-N 3.43Å; D27-R29 VanDerWaalsContact OD1-N 3.12Å; D27-R29 WeakPolarHBondContact OD2-CD 3.31Å; R29-N32 WeakPolarHBondContact O-CB 3.48Å; R29-Q33 WeakPolarHBondContact O-CG 3.34Å; R29-Q33 PolarHBondContact O-N 2.78Å; R29-Q33 VanDerWaalsContact O-N 3.17Å
30	Y	87	Confident	76.8	Confident	111 Å²	111	84.3 Å²	84.3	44%	0.435	44%	0.437	S	S	.	.	H	α-helix	trans	-80.9	-30.5	177.8	179.2	-114.4	0	0	0	111.3	I26 D27 E28 N32 Q33 L34	I26-Y30 HydrophobicContact CD1-CD1 3.72Å; I26-Y30 HydrophobicContact CD1-CE1 3.81Å; I26-Y30 HydrophobicContact CG1-CD1 3.93Å; I26-Y30 HydrophobicContact CG1-CE1 4.35Å; I26-Y30 HydrophobicContact CG2-CD1 3.83Å; I26-Y30 HydrophobicContact CG2-CG 4.44Å; D27-Y30 PolarHBondContact O-N 3.2Å; E28-Y30 PolarHBondContact O-N 3.15Å; Y30-N32 VanDerWaalsContact C-N 3.32Å; Y30-N32 PolarHBondContact O-N 3.37Å; Y30-Q33 PolarHBondContact O-N 3.1Å; Y30-L34 HydrophobicContact CD1-CD1 4.18Å; Y30-L34 HydrophobicContact CE1-CD1 3.76Å; Y30-L34 HydrophobicContact CE1-CG 4.23Å; Y30-L34 HydrophobicContact CE2-CD2 4.26Å; Y30-L34 HydrophobicContact CE2-CG 4.29Å; Y30-L34 WeakPolarHBondContact O-CG 3.43Å; Y30-L34 PolarHBondContact O-N 3.05Å
31	A	87.5	Confident	79.3	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.008	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-39.3	166.4	0	0	0	0	0	112	I26 D27 E28 W35 L65	I26-A31 HydrophobicContact CG2-CB 3.91Å; D27-A31 PolarHBondContact O-N 3.44Å; E28-A31 PolarHBondContact O-N 2.97Å; A31-W35 WeakPolarHBondContact O-CB 3.43Å; A31-W35 PolarHBondContact O-N 2.83Å; A31-W35 VanDerWaalsContact O-N 3.1Å; A31-L65 HydrophobicContact CB-CD2 4.1Å
32	N	90.4	Very high	82	Confident	50 Å²	50	71.2 Å²	71.2	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-51.9	171.4	-61.2	-21.8	0	0	0	110.7	E28 R29 Y30 L34 W35 D36 R73	E28-N32 PolarHBondContact O-N 3.13Å; E28-N32 PolarHBondContact O-ND2 2.61Å; E28-N32 PolarHBondContact O-OD1 3.47Å; E28-N32 VanDerWaalsContact O-OD1 3.14Å; R29-N32 WeakPolarHBondContact O-CB 3.48Å; Y30-N32 VanDerWaalsContact C-N 3.32Å; Y30-N32 PolarHBondContact O-N 3.37Å; N32-L34 PolarHBondContact O-N 3.05Å; N32-W35 CarbonylContact O-C 3.17Å; N32-W35 WeakPolarHBondContact O-CB 3.29Å; N32-W35 PolarHBondContact O-N 3.13Å; N32-W35 VanDerWaalsContact O-N 3.11Å; N32-D36 PolarHBondContact O-N 2.87Å; N32-R73 PolarHBondContact OD1-NH1 3.43Å; N32-R73 PolarHBondContact OD1-NH2 3.37Å
33	Q	92.1	Very high	84.3	Confident	116 Å²	116	67.3 Å²	67.3	54%	0.542	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-44	-178.4	-72.8	172.3	-10.2	0	0	113.3	R29 Y30 W35 D36 Q37	R29-Q33 WeakPolarHBondContact O-CG 3.34Å; R29-Q33 PolarHBondContact O-N 2.78Å; R29-Q33 VanDerWaalsContact O-N 3.17Å; Y30-Q33 PolarHBondContact O-N 3.1Å; Q33-W35 VanDerWaalsContact C-N 3.32Å; Q33-W35 PolarHBondContact O-N 3.28Å; Q33-D36 PolarHBondContact O-N 3.15Å; Q33-Q37 WeakPolarHBondContact O-CG 3.34Å; Q33-Q37 PolarHBondContact O-N 3.04Å
34	L	92.4	Very high	86.4	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-39.3	175.8	-68.1	175.7	0	0	0	111.8	I26 Y30 N32 I38 N61 T64 L65	I26-L34 HydrophobicContact CD1-CD1 4.42Å; Y30-L34 HydrophobicContact CD1-CD1 4.18Å; Y30-L34 HydrophobicContact CE1-CD1 3.76Å; Y30-L34 HydrophobicContact CE1-CG 4.23Å; Y30-L34 HydrophobicContact CE2-CD2 4.26Å; Y30-L34 HydrophobicContact CE2-CG 4.29Å; Y30-L34 WeakPolarHBondContact O-CG 3.43Å; Y30-L34 PolarHBondContact O-N 3.05Å; N32-L34 PolarHBondContact O-N 3.05Å; L34-I38 WeakPolarHBondContact O-CD1 3.47Å; L34-I38 WeakPolarHBondContact O-CG1 3.25Å; L34-I38 PolarHBondContact O-N 3.41Å; L34-N61 HydrophobicContact CD2-CB 4.02Å; L34-N61 WeakPolarHBondContact CD2-OD1 3.48Å; L34-T64 HydrophobicContact CD1-CG2 3.89Å; L34-L65 HydrophobicContact CB-CD1 4.2Å; L34-L65 HydrophobicContact CB-CD2 4.1Å; L34-L65 HydrophobicContact CB-CG 4.12Å; L34-L65 HydrophobicContact CD1-CD2 4.34Å; L34-L65 HydrophobicContact CD1-CG 4.46Å
35	W	94.4	Very high	88.5	Confident	23 Å²	23	60.8 Å²	60.8	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-44.4	174.4	167	-112.9	0	0	0	112.1	A31 N32 Q33 Q37 I38 K39 I42 L65 L74 G77 V81	A31-W35 WeakPolarHBondContact O-CB 3.43Å; A31-W35 PolarHBondContact O-N 2.83Å; A31-W35 VanDerWaalsContact O-N 3.1Å; N32-W35 CarbonylContact O-C 3.17Å; N32-W35 WeakPolarHBondContact O-CB 3.29Å; N32-W35 PolarHBondContact O-N 3.13Å; N32-W35 VanDerWaalsContact O-N 3.11Å; Q33-W35 VanDerWaalsContact C-N 3.32Å; Q33-W35 PolarHBondContact O-N 3.28Å; W35-Q37 VanDerWaalsContact C-N 3.28Å; W35-Q37 PolarHBondContact O-N 2.99Å; W35-I38 HydrophobicContact CE3-CB 4.3Å; W35-I38 HydrophobicContact CE3-CG2 4.29Å; W35-I38 HydrophobicContact CZ3-CB 4.45Å; W35-I38 HydrophobicContact CZ3-CG2 3.99Å; W35-I38 PolarHBondContact O-N 3.06Å; W35-I38 VanDerWaalsContact O-N 3.1Å; W35-K39 HydrophobicContact CD2-CB 4.43Å; W35-K39 HydrophobicContact CH2-CB 4.06Å; W35-K39 HydrophobicContact CZ2-CB 3.79Å; W35-K39 HydrophobicContact CZ2-CD 4.09Å; W35-K39 HydrophobicContact CZ2-CG 4.22Å; W35-K39 WeakPolarHBondContact O-CB 3.43Å; W35-K39 PolarHBondContact O-N 2.72Å; W35-I42 HydrophobicContact CH2-CD1 4.43Å; W35-I42 HydrophobicContact CZ3-CD1 4.4Å; W35-L65 HydrophobicContact CB-CD1 4.34Å; W35-L74 HydrophobicContact CE3-CD1 3.7Å; W35-L74 HydrophobicContact CZ3-CD1 3.81Å; W35-G77 WeakPolarHBondContact CH2-O 3.32Å; W35-G77 VanDerWaalsContact CZ2-C 3.45Å; W35-G77 WeakPolarHBondContact CZ2-O 3.31Å; W35-V81 HydrophobicContact CH2-CG2 4.3Å; W35-V81 HydrophobicContact CZ2-CG2 4.17Å
36	D	93.8	Very high	90.1	Very high	79 Å²	79	56.5 Å²	56.5	42%	0.422	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-32.4	-178.7	-70	-37.6	0	0	0	112.1	N32 Q33 S40	N32-D36 PolarHBondContact O-N 2.87Å; Q33-D36 PolarHBondContact O-N 3.15Å; D36-S40 VanDerWaalsContact O-CB 3.31Å; D36-S40 WeakPolarHBondContact O-CB 3.41Å; D36-S40 PolarHBondContact O-N 2.65Å; D36-S40 PolarHBondContact O-OG 3.46Å
37	Q	93.7	Very high	91.4	Very high	93 Å²	93	61 Å²	61	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-48	169.1	-74.2	178.2	-23.1	0	0	112.1	Q33 W35 S40 A41 N61	Q33-Q37 WeakPolarHBondContact O-CG 3.34Å; Q33-Q37 PolarHBondContact O-N 3.04Å; W35-Q37 VanDerWaalsContact C-N 3.28Å; W35-Q37 PolarHBondContact O-N 2.99Å; Q37-S40 PolarHBondContact O-N 2.72Å; Q37-A41 PolarHBondContact O-N 2.8Å; Q37-N61 PolarHBondContact OE1-ND2 3.34Å
38	I	94.7	Very high	92.3	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-45.3	178.2	-67.4	163.7	0	0	0	110.9	L34 W35 S40 A41 I42 L58 N61 A62 L65 L74 L123	L34-I38 WeakPolarHBondContact O-CD1 3.47Å; L34-I38 WeakPolarHBondContact O-CG1 3.25Å; L34-I38 PolarHBondContact O-N 3.41Å; W35-I38 HydrophobicContact CE3-CB 4.3Å; W35-I38 HydrophobicContact CE3-CG2 4.29Å; W35-I38 HydrophobicContact CZ3-CB 4.45Å; W35-I38 HydrophobicContact CZ3-CG2 3.99Å; W35-I38 PolarHBondContact O-N 3.06Å; W35-I38 VanDerWaalsContact O-N 3.1Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 2.67Å; I38-A41 PolarHBondContact O-N 2.78Å; I38-I42 HydrophobicContact CG2-CD1 3.77Å; I38-I42 HydrophobicContact CG2-CG1 4.39Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 3.25Å; I38-L58 HydrophobicContact CG1-CD2 4.43Å; I38-N61 HydrophobicContact CD1-CB 3.91Å; I38-N61 HydrophobicContact CG1-CB 4.14Å; I38-A62 HydrophobicContact CD1-CB 4.11Å; I38-L65 HydrophobicContact CD1-CD1 3.73Å; I38-L74 HydrophobicContact CD1-CD1 4.01Å; I38-L74 HydrophobicContact CG2-CD1 4.17Å; I38-L123 HydrophobicContact CG2-CD2 4.24Å
39	K	96	Very high	92.7	Very high	73 Å²	73	60.4 Å²	60.4	32%	0.317	28%	0.281	S	S	.	.	H	α-helix	trans	-55.5	-47.2	174.5	173.3	170.7	179.1	-178	0	111.7	W35 I42 I43 V81	W35-K39 HydrophobicContact CD2-CB 4.43Å; W35-K39 HydrophobicContact CH2-CB 4.06Å; W35-K39 HydrophobicContact CZ2-CB 3.79Å; W35-K39 HydrophobicContact CZ2-CD 4.09Å; W35-K39 HydrophobicContact CZ2-CG 4.22Å; W35-K39 WeakPolarHBondContact O-CB 3.43Å; W35-K39 PolarHBondContact O-N 2.72Å; K39-I42 PolarHBondContact O-N 3.43Å; K39-I43 HydrophobicContact CG-CD1 3.95Å; K39-I43 VanDerWaalsContact O-CG1 3.31Å; K39-I43 WeakPolarHBondContact O-CG1 3.4Å; K39-I43 PolarHBondContact O-N 3.09Å; K39-V81 HydrophobicContact CD-CG2 4.14Å; K39-V81 HydrophobicContact CG-CG2 3.87Å
40	S	94.3	Very high	92.8	Very high	69 Å²	69	53.8 Å²	53.8	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-42.2	178.4	-58.5	0	0	0	0	111.5	D36 Q37 I38 I43 E44	D36-S40 VanDerWaalsContact O-CB 3.31Å; D36-S40 WeakPolarHBondContact O-CB 3.41Å; D36-S40 PolarHBondContact O-N 2.65Å; D36-S40 PolarHBondContact O-OG 3.46Å; Q37-S40 PolarHBondContact O-N 2.72Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 2.67Å; S40-I43 PolarHBondContact O-N 3.48Å; S40-E44 PolarHBondContact O-N 2.97Å
41	A	95	Very high	92.7	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-41.2	175.8	0	0	0	0	0	113.1	Q37 I38 I43 E44 I45 L53 L58	Q37-A41 PolarHBondContact O-N 2.8Å; I38-A41 PolarHBondContact O-N 2.78Å; A41-I43 VanDerWaalsContact C-N 3.31Å; A41-I43 PolarHBondContact O-N 2.91Å; A41-E44 PolarHBondContact O-N 3.4Å; A41-I45 WeakPolarHBondContact O-CB 3.35Å; A41-I45 WeakPolarHBondContact O-CD1 3.49Å; A41-I45 VanDerWaalsContact O-CG1 3.26Å; A41-I45 WeakPolarHBondContact O-CG1 3.45Å; A41-I45 PolarHBondContact O-N 2.88Å; A41-L53 HydrophobicContact CB-CD1 4.09Å; A41-L53 HydrophobicContact CB-CD2 4.06Å; A41-L58 HydrophobicContact CB-CD1 3.45Å; A41-L58 VanDerWaalsContact CB-CD1 3.45Å; A41-L58 HydrophobicContact CB-CD2 3.56Å; A41-L58 HydrophobicContact CB-CG 4.16Å
42	I	95.5	Very high	92.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-44.5	174.1	-68.5	162.2	0	0	0	110.5	W35 I38 K39 I45 Q46 T78 V81 I119	W35-I42 HydrophobicContact CH2-CD1 4.43Å; W35-I42 HydrophobicContact CZ3-CD1 4.4Å; I38-I42 HydrophobicContact CG2-CD1 3.77Å; I38-I42 HydrophobicContact CG2-CG1 4.39Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 3.25Å; K39-I42 PolarHBondContact O-N 3.43Å; I42-I45 PolarHBondContact O-N 3.48Å; I42-Q46 WeakPolarHBondContact O-CB 3.29Å; I42-Q46 VanDerWaalsContact O-CG 3.31Å; I42-Q46 WeakPolarHBondContact O-CG 3.32Å; I42-Q46 PolarHBondContact O-N 3Å; I42-T78 HydrophobicContact CD1-CG2 4.1Å; I42-V81 HydrophobicContact CB-CG1 4.3Å; I42-V81 HydrophobicContact CG2-CB 4.4Å; I42-V81 HydrophobicContact CG2-CG1 3.58Å; I42-I119 HydrophobicContact CG1-CG1 4.35Å; I42-I119 HydrophobicContact CG1-CG2 4.29Å; I42-I119 HydrophobicContact CG2-CD1 3.92Å; I42-I119 HydrophobicContact CG2-CG1 4.35Å
43	I	95.6	Very high	92.5	Very high	49 Å²	49	59.2 Å²	59.2	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-42.9	178.5	-69.8	165.6	0	0	0	111.4	K39 S40 A41 Q46 K47 V81	K39-I43 HydrophobicContact CG-CD1 3.95Å; K39-I43 VanDerWaalsContact O-CG1 3.31Å; K39-I43 WeakPolarHBondContact O-CG1 3.4Å; K39-I43 PolarHBondContact O-N 3.09Å; S40-I43 PolarHBondContact O-N 3.48Å; A41-I43 VanDerWaalsContact C-N 3.31Å; A41-I43 PolarHBondContact O-N 2.91Å; I43-Q46 PolarHBondContact O-N 3.1Å; I43-K47 HydrophobicContact CG2-CD 4.27Å; I43-K47 WeakPolarHBondContact O-CG 3.2Å; I43-K47 PolarHBondContact O-N 2.93Å; I43-V81 HydrophobicContact CD1-CG1 4.43Å; I43-V81 HydrophobicContact CG1-CG1 3.79Å
44	E	95.3	Very high	92.6	Very high	55 Å²	55	56.4 Å²	56.4	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-71	-32.8	176.5	-65.9	-45.6	123.5	0	0	112.7	S40 A41 K47 K48 N49 L53	S40-E44 PolarHBondContact O-N 2.97Å; A41-E44 PolarHBondContact O-N 3.4Å; E44-K47 CarbonylContact O-C 3.46Å; E44-K47 PolarHBondContact O-N 3.46Å; E44-K47 WeakPolarHBondContact OE1-CD 3.48Å; E44-K47 WeakPolarHBondContact OE1-CE 3.41Å; E44-K47 IonicContact OE1-NZ 2.72Å; E44-K47 PolarHBondContact OE1-NZ 3.28Å; E44-K47 WeakPolarHBondContact OE2-CD 3.26Å; E44-K47 IonicContact OE2-NZ 2.78Å; E44-K48 PolarHBondContact O-N 2.9Å; E44-K48 VanDerWaalsContact O-N 3.1Å; E44-N49 HydrophobicContact CB-CB 4.07Å; E44-N49 PolarHBondContact O-N 3.05Å; E44-N49 VanDerWaalsContact OE2-CB 3.32Å; E44-N49 WeakPolarHBondContact OE2-CB 3.1Å; E44-N49 PolarHBondContact OE2-ND2 3.31Å; E44-L53 HydrophobicContact CB-CD1 4.49Å
45	I	95.1	Very high	92.5	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-45.1	170.2	-71.8	162.6	0	0	0	110.8	A41 I42 K47 K48 N50 L53 A115 M118 I119 I122	A41-I45 WeakPolarHBondContact O-CB 3.35Å; A41-I45 WeakPolarHBondContact O-CD1 3.49Å; A41-I45 VanDerWaalsContact O-CG1 3.26Å; A41-I45 WeakPolarHBondContact O-CG1 3.45Å; A41-I45 PolarHBondContact O-N 2.88Å; I42-I45 PolarHBondContact O-N 3.48Å; I45-K47 VanDerWaalsContact C-N 3.29Å; I45-K47 PolarHBondContact O-N 3.44Å; I45-K48 WeakPolarHBondContact O-CA 3.19Å; I45-K48 PolarHBondContact O-N 2.85Å; I45-N50 HydrophobicContact CG1-CB 3.93Å; I45-L53 HydrophobicContact CD1-CD1 4.07Å; I45-L53 HydrophobicContact CG1-CD1 3.66Å; I45-A115 HydrophobicContact CG2-CB 3.93Å; I45-M118 HydrophobicContact CD1-CB 4.33Å; I45-M118 HydrophobicContact CG2-CB 3.98Å; I45-M118 HydrophobicContact CG2-SD 4.08Å; I45-I119 HydrophobicContact CD1-CG1 4.41Å; I45-I119 HydrophobicContact CG2-CD1 4.35Å; I45-I119 HydrophobicContact CG2-CG1 4.1Å; I45-I122 HydrophobicContact CD1-CD1 3.44Å; I45-I122 VanDerWaalsContact CD1-CD1 3.44Å
46	Q	93.7	Very high	92.4	Very high	19 Å²	19	64.8 Å²	64.8	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-32.8	176	-74.4	170.2	-16.7	0	0	112.8	I42 I43 K48	I42-Q46 WeakPolarHBondContact O-CB 3.29Å; I42-Q46 VanDerWaalsContact O-CG 3.31Å; I42-Q46 WeakPolarHBondContact O-CG 3.32Å; I42-Q46 PolarHBondContact O-N 3Å; I43-Q46 PolarHBondContact O-N 3.1Å; Q46-K48 VanDerWaalsContact C-N 3.26Å; Q46-K48 PolarHBondContact O-N 3.38Å
47	K	92.6	Very high	92.3	Very high	117 Å²	117	66 Å²	66	51%	0.509	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.3	170.8	-67.7	168.2	-176.4	172.5	0	114.4	I43 E44 I45 N49	I43-K47 HydrophobicContact CG2-CD 4.27Å; I43-K47 WeakPolarHBondContact O-CG 3.2Å; I43-K47 PolarHBondContact O-N 2.93Å; E44-K47 CarbonylContact O-C 3.46Å; E44-K47 PolarHBondContact O-N 3.46Å; E44-K47 WeakPolarHBondContact OE1-CD 3.48Å; E44-K47 WeakPolarHBondContact OE1-CE 3.41Å; E44-K47 IonicContact OE1-NZ 2.72Å; E44-K47 PolarHBondContact OE1-NZ 3.28Å; E44-K47 WeakPolarHBondContact OE2-CD 3.26Å; E44-K47 IonicContact OE2-NZ 2.78Å; I45-K47 VanDerWaalsContact C-N 3.29Å; I45-K47 PolarHBondContact O-N 3.44Å; K47-N49 VanDerWaalsContact C-N 3.26Å; K47-N49 HydrophobicContact CB-CB 4.47Å; K47-N49 PolarHBondContact O-N 2.83Å
48	K	92.4	Very high	92.3	Very high	125 Å²	125	62.2 Å²	62.2	54%	0.543	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	14.3	-172.5	-41.9	-178.5	-166.8	-172.9	0	115.1	E44 I45 Q46 N50 D111	E44-K48 PolarHBondContact O-N 2.9Å; E44-K48 VanDerWaalsContact O-N 3.1Å; I45-K48 WeakPolarHBondContact O-CA 3.19Å; I45-K48 PolarHBondContact O-N 2.85Å; Q46-K48 VanDerWaalsContact C-N 3.26Å; Q46-K48 PolarHBondContact O-N 3.38Å; K48-N50 VanDerWaalsContact C-N 3.29Å; K48-N50 PolarHBondContact O-N 3.48Å; K48-D111 VanDerWaalsContact CE-CG 3.43Å; K48-D111 VanDerWaalsContact CE-OD1 3.29Å; K48-D111 WeakPolarHBondContact CE-OD1 3.3Å; K48-D111 IonicContact NZ-OD1 2.65Å; K48-D111 PolarHBondContact NZ-OD1 2.87Å; K48-D111 IonicContact NZ-OD2 3.86Å; K48-D111 PolarHBondContact NZ-OD2 3.42Å
49	N	90.8	Very high	92.3	Very high	90 Å²	90	65.3 Å²	65.3	48%	0.481	34%	0.343	S	S	.	.			trans	-89.2	36.4	-179	-67.1	-20	0	0	0	113.2	E44 K47 S51	E44-N49 HydrophobicContact CB-CB 4.07Å; E44-N49 PolarHBondContact O-N 3.05Å; E44-N49 VanDerWaalsContact OE2-CB 3.32Å; E44-N49 WeakPolarHBondContact OE2-CB 3.1Å; E44-N49 PolarHBondContact OE2-ND2 3.31Å; K47-N49 VanDerWaalsContact C-N 3.26Å; K47-N49 HydrophobicContact CB-CB 4.47Å; K47-N49 PolarHBondContact O-N 2.83Å; N49-S51 PolarHBondContact O-N 3.33Å
50	N	86	Confident	92.2	Very high	44 Å²	44	68.8 Å²	68.8	24%	0.235	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-82.5	-6.6	-168.2	56.5	45.8	0	0	0	115.6	I45 K48 C52 L53 M118	I45-N50 HydrophobicContact CG1-CB 3.93Å; K48-N50 VanDerWaalsContact C-N 3.29Å; K48-N50 PolarHBondContact O-N 3.48Å; N50-C52 PolarHBondContact O-N 3.43Å; N50-C52 VanDerWaalsContact O-N 3.16Å; N50-L53 HydrophobicContact CB-CD1 4.07Å; N50-L53 WeakPolarHBondContact O-CB 3.41Å; N50-L53 PolarHBondContact O-N 2.92Å; N50-L53 VanDerWaalsContact O-N 3.13Å; N50-M118 HydrophobicContact CB-SD 4.48Å; N50-M118 PolarHBondContact ND2-SD 3.5Å
51	S	86	Confident	92.1	Very high	109 Å²	109	66.3 Å²	66.3	76%	0.762	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-64.8	-19.5	-171.3	53.7	0	0	0	0	115.6	N49	N49-S51 PolarHBondContact O-N 3.33Å
52	C	84.2	Confident	92	Very high	122 Å²	122	66.1 Å²	66.1	82%	0.824	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-103	6.7	178.3	-60.6	0	0	0	0	113.8	N50	N50-C52 PolarHBondContact O-N 3.43Å; N50-C52 VanDerWaalsContact O-N 3.16Å
53	L	89.8	Confident	91.8	Very high	46 Å²	46	69.5 Å²	69.5	24%	0.241	35%	0.347	C	S	.	.			trans	-90.7	129.8	-174.8	-61.2	177.7	0	0	0	112.5	A41 E44 I45 N50 F55 L58	A41-L53 HydrophobicContact CB-CD1 4.09Å; A41-L53 HydrophobicContact CB-CD2 4.06Å; E44-L53 HydrophobicContact CB-CD1 4.49Å; I45-L53 HydrophobicContact CD1-CD1 4.07Å; I45-L53 HydrophobicContact CG1-CD1 3.66Å; N50-L53 HydrophobicContact CB-CD1 4.07Å; N50-L53 WeakPolarHBondContact O-CB 3.41Å; N50-L53 PolarHBondContact O-N 2.92Å; N50-L53 VanDerWaalsContact O-N 3.13Å; L53-F55 HydrophobicContact CB-CE2 4.34Å; L53-F55 WeakPolarHBondContact O-CD2 3.47Å; L53-F55 PolarHBondContact O-N 3.37Å; L53-L58 HydrophobicContact CB-CD1 4.12Å
54	S	92.7	Very high	91.7	Very high	57 Å²	57	68.9 Å²	68.9	40%	0.399	35%	0.345	S	S	.	.			trans	-81.7	94.5	172.1	-178.8	0	0	0	0	110.7	E56 E57 L58	S54-E56 VanDerWaalsContact C-N 3.26Å; S54-E56 PolarHBondContact O-N 3.39Å; S54-E57 PolarHBondContact O-N 3.12Å; S54-E57 VanDerWaalsContact OG-CB 3.29Å; S54-E57 WeakPolarHBondContact OG-CB 3.26Å; S54-E57 PolarHBondContact OG-N 3.02Å; S54-L58 VanDerWaalsContact O-CG 3.31Å; S54-L58 WeakPolarHBondContact O-CG 3.45Å; S54-L58 PolarHBondContact O-N 3.41Å
55	F	91.4	Very high	91.5	Very high	76 Å²	76	66.5 Å²	66.5	33%	0.333	33%	0.334	S	S	.	.	H	α-helix	trans	-59.6	-33.3	179.3	-81.6	-107.7	0	0	0	112.9	L53 Y59 M118 I122	L53-F55 HydrophobicContact CB-CE2 4.34Å; L53-F55 WeakPolarHBondContact O-CD2 3.47Å; L53-F55 PolarHBondContact O-N 3.37Å; F55-Y59 VanDerWaalsContact O-CB 3.28Å; F55-Y59 WeakPolarHBondContact O-CB 3.35Å; F55-Y59 PolarHBondContact O-N 2.86Å; F55-M118 HydrophobicContact CE1-CB 4.04Å; F55-M118 HydrophobicContact CE1-CG 4.41Å; F55-M118 HydrophobicContact CZ-CB 4.23Å; F55-M118 HydrophobicContact CZ-CG 4.33Å; F55-M118 HydrophobicContact CZ-SD 4.5Å; F55-I122 HydrophobicContact CD1-CD1 3.87Å; F55-I122 HydrophobicContact CD1-CG1 3.54Å; F55-I122 HydrophobicContact CE1-CD1 3.76Å; F55-I122 HydrophobicContact CE1-CG1 3.86Å; F55-I122 HydrophobicContact CG-CG1 4.34Å; F55-I122 HydrophobicContact CZ-CD1 4.39Å
56	E	92	Very high	91.3	Very high	126 Å²	126	67.1 Å²	67.1	59%	0.589	34%	0.338	S	S	*	.	H	α-helix	trans	-66.4	-44.6	175.3	-167	-149.5	122.8	0	0	111.7	S54 Y59 R60	S54-E56 VanDerWaalsContact C-N 3.26Å; S54-E56 PolarHBondContact O-N 3.39Å; E56-Y59 PolarHBondContact O-N 3.41Å; E56-R60 WeakPolarHBondContact O-CB 3.36Å; E56-R60 VanDerWaalsContact O-CG 3.25Å; E56-R60 WeakPolarHBondContact O-CG 3.39Å; E56-R60 PolarHBondContact O-N 3.12Å; E56-R60 WeakPolarHBondContact OE1-CD 3.39Å; E56-R60 IonicContact OE1-CZ 3.83Å; E56-R60 IonicContact OE1-NE 2.7Å; E56-R60 IonicContact OE1-NH1 2.7Å; E56-R60 PolarHBondContact OE1-NH1 3.39Å
57	E	92.5	Very high	91.1	Very high	104 Å²	104	70 Å²	70	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-45.2	179.4	-174	173.7	-175.9	0	0	111	S54 Y59 R60 N61	S54-E57 PolarHBondContact O-N 3.12Å; S54-E57 VanDerWaalsContact OG-CB 3.29Å; S54-E57 WeakPolarHBondContact OG-CB 3.26Å; S54-E57 PolarHBondContact OG-N 3.02Å; E57-Y59 PolarHBondContact O-N 3Å; E57-R60 CarbonylContact O-C 3.53Å; E57-R60 PolarHBondContact O-N 3.36Å; E57-R60 VanDerWaalsContact O-N 3.13Å; E57-N61 WeakPolarHBondContact O-CB 3.45Å; E57-N61 PolarHBondContact O-N 3.15Å; E57-N61 PolarHBondContact O-OD1 3.34Å
58	L	93.7	Very high	90.9	Very high	13 Å²	13	66.2 Å²	66.2	7%	0.068	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-41.5	176.9	-65.3	166.9	0	0	0	112	I38 A41 L53 S54 N61 A62 I122	I38-L58 HydrophobicContact CG1-CD2 4.43Å; A41-L58 HydrophobicContact CB-CD1 3.45Å; A41-L58 VanDerWaalsContact CB-CD1 3.45Å; A41-L58 HydrophobicContact CB-CD2 3.56Å; A41-L58 HydrophobicContact CB-CG 4.16Å; L53-L58 HydrophobicContact CB-CD1 4.12Å; S54-L58 VanDerWaalsContact O-CG 3.31Å; S54-L58 WeakPolarHBondContact O-CG 3.45Å; S54-L58 PolarHBondContact O-N 3.41Å; L58-N61 PolarHBondContact O-N 3.39Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.09Å; L58-I122 HydrophobicContact CB-CD1 4.48Å; L58-I122 HydrophobicContact CB-CG1 4.37Å; L58-I122 HydrophobicContact CB-CG2 3.73Å; L58-I122 HydrophobicContact CD1-CD1 4.02Å
59	Y	94.4	Very high	90.7	Very high	66 Å²	66	69.6 Å²	69.6	26%	0.259	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-40.8	172.2	174.9	-91.2	0	0	0	112	F55 E56 E57 A62 Y63 I122 M124	F55-Y59 VanDerWaalsContact O-CB 3.28Å; F55-Y59 WeakPolarHBondContact O-CB 3.35Å; F55-Y59 PolarHBondContact O-N 2.86Å; E56-Y59 PolarHBondContact O-N 3.41Å; E57-Y59 PolarHBondContact O-N 3Å; Y59-A62 PolarHBondContact O-N 2.91Å; Y59-Y63 VanDerWaalsContact O-CB 3.29Å; Y59-Y63 WeakPolarHBondContact O-CB 3.48Å; Y59-Y63 PolarHBondContact O-N 2.96Å; Y59-I122 WeakPolarHBondContact CD2-O 3.4Å; Y59-M124 HydrophobicContact CD2-CE 4.4Å; Y59-M124 HydrophobicContact CE2-CB 4.21Å; Y59-M124 HydrophobicContact CE2-CE 3.76Å
60	R	92.5	Very high	90.7	Very high	146 Å²	146	67.6 Å²	67.6	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-69.1	-32.8	177.3	-75.1	171.4	58.3	-170.5	-8.7	112.9	E56 E57 T64	E56-R60 WeakPolarHBondContact O-CB 3.36Å; E56-R60 VanDerWaalsContact O-CG 3.25Å; E56-R60 WeakPolarHBondContact O-CG 3.39Å; E56-R60 PolarHBondContact O-N 3.12Å; E56-R60 WeakPolarHBondContact OE1-CD 3.39Å; E56-R60 IonicContact OE1-CZ 3.83Å; E56-R60 IonicContact OE1-NE 2.7Å; E56-R60 IonicContact OE1-NH1 2.7Å; E56-R60 PolarHBondContact OE1-NH1 3.39Å; E57-R60 CarbonylContact O-C 3.53Å; E57-R60 PolarHBondContact O-N 3.36Å; E57-R60 VanDerWaalsContact O-N 3.13Å; R60-T64 WeakPolarHBondContact O-CB 3.31Å; R60-T64 PolarHBondContact O-N 3.42Å; R60-T64 PolarHBondContact O-OG1 2.94Å
61	N	93	Very high	90.9	Very high	17 Å²	17	65.6 Å²	65.6	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-46.5	172.3	-67.8	-6.4	0	0	0	110.5	L34 Q37 I38 E57 L58 T64 L65	L34-N61 HydrophobicContact CD2-CB 4.02Å; L34-N61 WeakPolarHBondContact CD2-OD1 3.48Å; Q37-N61 PolarHBondContact OE1-ND2 3.34Å; I38-N61 HydrophobicContact CD1-CB 3.91Å; I38-N61 HydrophobicContact CG1-CB 4.14Å; E57-N61 WeakPolarHBondContact O-CB 3.45Å; E57-N61 PolarHBondContact O-N 3.15Å; E57-N61 PolarHBondContact O-OD1 3.34Å; L58-N61 PolarHBondContact O-N 3.39Å; N61-T64 PolarHBondContact O-N 2.97Å; N61-L65 PolarHBondContact O-N 3.02Å
62	A	92.7	Very high	91.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-46.9	175.4	0	0	0	0	0	111.8	I38 L58 Y59 T64 L65 I66 L74 L123	I38-A62 HydrophobicContact CD1-CB 4.11Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.09Å; Y59-A62 PolarHBondContact O-N 2.91Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.21Å; A62-L65 PolarHBondContact O-N 3.34Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.99Å; A62-L74 HydrophobicContact CB-CD2 4.05Å; A62-L123 HydrophobicContact CB-CD2 3.84Å
63	Y	92.4	Very high	91.6	Very high	75 Å²	75	66 Å²	66	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-53.8	-45.3	172.8	173.9	-89.5	0	0	0	112.1	Y59 I66 L67 Y125	Y59-Y63 VanDerWaalsContact O-CB 3.29Å; Y59-Y63 WeakPolarHBondContact O-CB 3.48Å; Y59-Y63 PolarHBondContact O-N 2.96Å; Y63-I66 PolarHBondContact O-N 3.08Å; Y63-L67 HydrophobicContact CE1-CD2 3.98Å; Y63-L67 WeakPolarHBondContact O-CB 3.42Å; Y63-L67 PolarHBondContact O-N 3Å; Y63-Y125 AromaticContact CD2-CD1 3.59Å; Y63-Y125 HydrophobicContact CD2-CD1 3.59Å; Y63-Y125 AromaticContact CD2-CD2 3.75Å; Y63-Y125 HydrophobicContact CD2-CD2 3.75Å; Y63-Y125 AromaticContact CD2-CE1 3.51Å; Y63-Y125 HydrophobicContact CD2-CE1 3.51Å; Y63-Y125 AromaticContact CD2-CE2 3.71Å; Y63-Y125 HydrophobicContact CD2-CE2 3.71Å; Y63-Y125 AromaticContact CD2-CG 3.7Å; Y63-Y125 HydrophobicContact CD2-CG 3.7Å; Y63-Y125 AromaticContact CD2-CZ 3.59Å; Y63-Y125 HydrophobicContact CE2-CD1 4.31Å; Y63-Y125 HydrophobicContact CE2-CD2 4.17Å; Y63-Y125 AromaticContact CE2-CE1 3.79Å; Y63-Y125 HydrophobicContact CE2-CE1 3.79Å; Y63-Y125 AromaticContact CE2-CE2 3.65Å; Y63-Y125 HydrophobicContact CE2-CE2 3.65Å; Y63-Y125 HydrophobicContact CE2-CG 4.48Å; Y63-Y125 AromaticContact CE2-CZ 3.44Å; Y63-Y125 VanDerWaalsContact CE2-CZ 3.44Å; Y63-Y125 HydrophobicContact CG-CD1 4.26Å; Y63-Y125 HydrophobicContact CG-CE1 4.34Å
64	T	91.8	Very high	91.8	Very high	36 Å²	36	63.9 Å²	63.9	22%	0.221	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-44.8	180	-59.2	0	0	0	0	111.6	I26 L34 R60 N61 A62 L67 Q68	I26-T64 HydrophobicContact CD1-CG2 3.73Å; L34-T64 HydrophobicContact CD1-CG2 3.89Å; R60-T64 WeakPolarHBondContact O-CB 3.31Å; R60-T64 PolarHBondContact O-N 3.42Å; R60-T64 PolarHBondContact O-OG1 2.94Å; N61-T64 PolarHBondContact O-N 2.97Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.21Å; T64-L67 PolarHBondContact O-N 3.41Å; T64-Q68 HydrophobicContact CG2-CG 4.35Å; T64-Q68 WeakPolarHBondContact O-CB 3.27Å; T64-Q68 WeakPolarHBondContact O-CG 3.42Å; T64-Q68 PolarHBondContact O-N 3.25Å
65	L	91.8	Very high	91.9	Very high	5 Å²	5	62 Å²	62	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-42.8	176.8	-72.5	173.3	0	0	0	112.5	A31 L34 W35 I38 N61 A62 Q68 K69 H70 L74	A31-L65 HydrophobicContact CB-CD2 4.1Å; L34-L65 HydrophobicContact CB-CD1 4.2Å; L34-L65 HydrophobicContact CB-CD2 4.1Å; L34-L65 HydrophobicContact CB-CG 4.12Å; L34-L65 HydrophobicContact CD1-CD2 4.34Å; L34-L65 HydrophobicContact CD1-CG 4.46Å; W35-L65 HydrophobicContact CB-CD1 4.34Å; I38-L65 HydrophobicContact CD1-CD1 3.73Å; N61-L65 PolarHBondContact O-N 3.02Å; A62-L65 PolarHBondContact O-N 3.34Å; L65-Q68 CarbonylContact O-C 3.6Å; L65-Q68 PolarHBondContact O-N 3.01Å; L65-K69 PolarHBondContact O-N 3.37Å; L65-H70 HydrophobicContact CB-CB 4.41Å; L65-H70 HydrophobicContact CD2-CB 4.17Å; L65-H70 PolarHBondContact O-N 3.44Å; L65-L74 HydrophobicContact CB-CD2 4.35Å; L65-L74 HydrophobicContact CD1-CD1 4.07Å
66	I	91.3	Very high	92.1	Very high	17 Å²	17	60.7 Å²	60.7	9%	0.087	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-47.9	176	-63.6	-56	0	0	0	111.2	A62 Y63 Q68 K69 L74 Y125 M126 V129 Y130	A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.99Å; Y63-I66 PolarHBondContact O-N 3.08Å; I66-Q68 PolarHBondContact O-N 3.46Å; I66-K69 PolarHBondContact O-N 2.96Å; I66-L74 HydrophobicContact CD1-CD2 3.9Å; I66-L74 HydrophobicContact CG1-CD2 4.1Å; I66-Y125 HydrophobicContact CB-CD1 3.79Å; I66-Y125 HydrophobicContact CB-CE1 3.9Å; I66-Y125 HydrophobicContact CG1-CD1 4.11Å; I66-Y125 HydrophobicContact CG2-CD1 3.78Å; I66-Y125 HydrophobicContact CG2-CE1 3.57Å; I66-M126 HydrophobicContact CD1-CB 3.87Å; I66-M126 HydrophobicContact CD1-CG 3.76Å; I66-M126 HydrophobicContact CD1-SD 4.28Å; I66-M126 HydrophobicContact CG1-CB 4.12Å; I66-V129 HydrophobicContact CG2-CB 4.47Å; I66-V129 HydrophobicContact CG2-CG1 4.32Å; I66-Y130 HydrophobicContact CD1-CG 4.33Å
67	L	89.7	Confident	92.3	Very high	78 Å²	78	55.4 Å²	55.4	41%	0.408	26%	0.259	S	S	.	.	H	α-helix	trans	-60.7	-30.9	179.1	-173.5	66	0	0	0	112.3	F22 Y63 T64 K69	F22-L67 HydrophobicContact CD1-CD2 4.04Å; F22-L67 HydrophobicContact CE1-CD2 3.47Å; F22-L67 VanDerWaalsContact CE1-CD2 3.47Å; F22-L67 HydrophobicContact CZ-CD2 3.94Å; Y63-L67 HydrophobicContact CE1-CD2 3.98Å; Y63-L67 WeakPolarHBondContact O-CB 3.42Å; Y63-L67 PolarHBondContact O-N 3Å; T64-L67 PolarHBondContact O-N 3.41Å; L67-K69 VanDerWaalsContact C-N 3.28Å; L67-K69 PolarHBondContact O-N 3.32Å
68	Q	87.6	Confident	92.5	Very high	39 Å²	39	50.5 Å²	50.5	18%	0.182	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	16.4	178.5	-62.5	-94.7	-11.9	0	0	112.9	I26 T64 L65 I66 H70	I26-Q68 HydrophobicContact CD1-CG 3.66Å; I26-Q68 HydrophobicContact CG1-CG 4.2Å; T64-Q68 HydrophobicContact CG2-CG 4.35Å; T64-Q68 WeakPolarHBondContact O-CB 3.27Å; T64-Q68 WeakPolarHBondContact O-CG 3.42Å; T64-Q68 PolarHBondContact O-N 3.25Å; L65-Q68 CarbonylContact O-C 3.6Å; L65-Q68 PolarHBondContact O-N 3.01Å; I66-Q68 PolarHBondContact O-N 3.46Å; Q68-H70 VanDerWaalsContact C-N 3.26Å; Q68-H70 PolarHBondContact O-N 3.32Å
69	K	88.8	Confident	92.6	Very high	195 Å²	195	52.1 Å²	52.1	85%	0.848	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	10.6	178.5	-56.2	-174.7	177	-176.2	0	116.5	L65 I66 L67 G71	L65-K69 PolarHBondContact O-N 3.37Å; I66-K69 PolarHBondContact O-N 2.96Å; L67-K69 VanDerWaalsContact C-N 3.28Å; L67-K69 PolarHBondContact O-N 3.32Å; K69-G71 PolarHBondContact O-N 3Å; K69-G71 VanDerWaalsContact O-N 3.1Å
70	H	90.6	Very high	92.7	Very high	49 Å²	49	51.6 Å²	51.6	23%	0.227	25%	0.253	C	S	.	.			trans	-82.9	29.2	175.9	-61.4	-63	0	0	0	113.7	L65 Q68 R73 L74	L65-H70 HydrophobicContact CB-CB 4.41Å; L65-H70 HydrophobicContact CD2-CB 4.17Å; L65-H70 PolarHBondContact O-N 3.44Å; Q68-H70 VanDerWaalsContact C-N 3.26Å; Q68-H70 PolarHBondContact O-N 3.32Å; H70-R73 PolarHBondContact O-N 3.21Å; H70-L74 PolarHBondContact O-N 2.97Å
71	G	89.9	Confident	92.9	Very high	1 Å²	1	45 Å²	45	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-40.8	-173.9	0	0	0	0	0	114.7	K69 R73 L74 Y75	K69-G71 PolarHBondContact O-N 3Å; K69-G71 VanDerWaalsContact O-N 3.1Å; G71-R73 VanDerWaalsContact C-N 3.3Å; G71-R73 PolarHBondContact O-N 3.01Å; G71-L74 PolarHBondContact O-N 3.06Å; G71-Y75 WeakPolarHBondContact O-CB 3.47Å; G71-Y75 PolarHBondContact O-N 3.34Å
72	E	92.5	Very high	93.1	Very high	146 Å²	146	44.1 Å²	44.1	68%	0.682	22%	0.224	S	C	*	.	H	α-helix	trans	-56.5	-47.5	174.6	-176.8	-174.3	174.8	0	0	110.9	L74 Y75 A76 Y130	E72-L74 PolarHBondContact O-N 3.36Å; E72-Y75 PolarHBondContact O-N 2.89Å; E72-A76 WeakPolarHBondContact O-CB 3.01Å; E72-A76 PolarHBondContact O-N 2.91Å; E72-Y130 VanDerWaalsContact CA-OH 3.23Å; E72-Y130 WeakPolarHBondContact CA-OH 3.46Å; E72-Y130 WeakPolarHBondContact CB-OH 3.38Å; E72-Y130 VanDerWaalsContact N-CZ 3.29Å; E72-Y130 PolarHBondContact N-OH 3.23Å
73	R	91.5	Very high	93.4	Very high	93 Å²	93	48.3 Å²	48.3	35%	0.351	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-39.5	179	-175.9	174.3	179.9	179	-2.6	112.6	N32 H70 G71 G77	N32-R73 PolarHBondContact OD1-NH1 3.43Å; N32-R73 PolarHBondContact OD1-NH2 3.37Å; H70-R73 PolarHBondContact O-N 3.21Å; G71-R73 VanDerWaalsContact C-N 3.3Å; G71-R73 PolarHBondContact O-N 3.01Å; R73-G77 WeakPolarHBondContact O-CA 3.34Å; R73-G77 PolarHBondContact O-N 3.08Å
74	L	94.4	Very high	93.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-40.7	176.2	-176	59.5	0	0	0	111.3	W35 I38 A62 L65 I66 H70 G71 E72 T78 L123 M126	W35-L74 HydrophobicContact CE3-CD1 3.7Å; W35-L74 HydrophobicContact CZ3-CD1 3.81Å; I38-L74 HydrophobicContact CD1-CD1 4.01Å; I38-L74 HydrophobicContact CG2-CD1 4.17Å; A62-L74 HydrophobicContact CB-CD2 4.05Å; L65-L74 HydrophobicContact CB-CD2 4.35Å; L65-L74 HydrophobicContact CD1-CD1 4.07Å; I66-L74 HydrophobicContact CD1-CD2 3.9Å; I66-L74 HydrophobicContact CG1-CD2 4.1Å; H70-L74 PolarHBondContact O-N 2.97Å; G71-L74 PolarHBondContact O-N 3.06Å; E72-L74 PolarHBondContact O-N 3.36Å; L74-T78 VanDerWaalsContact O-CB 3.29Å; L74-T78 WeakPolarHBondContact O-CB 3.47Å; L74-T78 PolarHBondContact O-N 3.43Å; L74-T78 PolarHBondContact O-OG1 2.86Å; L74-L123 HydrophobicContact CD1-CD2 4.06Å; L74-L123 HydrophobicContact CD2-CD2 4.16Å; L74-L123 HydrophobicContact CG-CD2 4.26Å; L74-M126 HydrophobicContact CB-SD 3.97Å; L74-M126 HydrophobicContact CD2-SD 3.93Å; L74-M126 HydrophobicContact CG-SD 3.69Å
75	Y	96.3	Very high	93.8	Very high	17 Å²	17	49.6 Å²	49.6	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-60.9	177.8	-170.7	-83.9	0	0	0	111.6	G71 E72 G77 T78 E79 M126 V131 L136 D137 M142	G71-Y75 WeakPolarHBondContact O-CB 3.47Å; G71-Y75 PolarHBondContact O-N 3.34Å; E72-Y75 PolarHBondContact O-N 2.89Å; Y75-G77 VanDerWaalsContact C-N 3.28Å; Y75-G77 PolarHBondContact O-N 2.91Å; Y75-T78 WeakPolarHBondContact O-CB 3.42Å; Y75-T78 PolarHBondContact O-N 2.69Å; Y75-E79 PolarHBondContact O-N 2.96Å; Y75-M126 HydrophobicContact CD2-CE 3.85Å; Y75-M126 HydrophobicContact CD2-SD 4.21Å; Y75-M126 HydrophobicContact CG-CE 4.48Å; Y75-V131 HydrophobicContact CD2-CG2 3.99Å; Y75-V131 HydrophobicContact CE2-CG2 3.9Å; Y75-L136 HydrophobicContact CD1-CD1 4.03Å; Y75-L136 HydrophobicContact CD2-CD1 4Å; Y75-L136 HydrophobicContact CE1-CD1 4.16Å; Y75-L136 HydrophobicContact CE1-CD2 4.32Å; Y75-L136 HydrophobicContact CE2-CB 4.08Å; Y75-L136 HydrophobicContact CE2-CD1 4.12Å; Y75-L136 HydrophobicContact CG-CD1 3.96Å; Y75-D137 VanDerWaalsContact CE2-O 3.26Å; Y75-D137 WeakPolarHBondContact CE2-O 3.48Å; Y75-D137 PolarHBondContact OH-O 3.06Å; Y75-M142 HydrophobicContact CE1-SD 4.24Å; Y75-M142 HydrophobicContact CE2-SD 4.41Å
76	A	95.2	Very high	94.1	Very high	50 Å²	50	49.4 Å²	49.4	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-34.1	-177.9	0	0	0	0	0	112.2	E72 A80	E72-A76 WeakPolarHBondContact O-CB 3.01Å; E72-A76 PolarHBondContact O-N 2.91Å; A76-A80 VanDerWaalsContact O-CB 3.31Å; A76-A80 WeakPolarHBondContact O-CB 3.18Å; A76-A80 PolarHBondContact O-N 2.88Å
77	G	95.5	Very high	94.4	Very high	15 Å²	15	51.8 Å²	51.8	16%	0.155	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-44.1	171.8	0	0	0	0	0	112.6	W35 R73 Y75 A80 V81	W35-G77 WeakPolarHBondContact CH2-O 3.32Å; W35-G77 VanDerWaalsContact CZ2-C 3.45Å; W35-G77 WeakPolarHBondContact CZ2-O 3.31Å; R73-G77 WeakPolarHBondContact O-CA 3.34Å; R73-G77 PolarHBondContact O-N 3.08Å; Y75-G77 VanDerWaalsContact C-N 3.28Å; Y75-G77 PolarHBondContact O-N 2.91Å; G77-A80 PolarHBondContact O-N 3.31Å; G77-V81 VanDerWaalsContact O-CG2 3.31Å; G77-V81 WeakPolarHBondContact O-CG2 3.35Å; G77-V81 PolarHBondContact O-N 3.16Å; G77-V81 VanDerWaalsContact O-N 3.16Å
78	T	96.4	Very high	94.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-46.6	175.6	-60.4	0	0	0	0	110.5	I42 L74 Y75 A80 V81 V82 I119 L123 M142	I42-T78 HydrophobicContact CD1-CG2 4.1Å; L74-T78 VanDerWaalsContact O-CB 3.29Å; L74-T78 WeakPolarHBondContact O-CB 3.47Å; L74-T78 PolarHBondContact O-N 3.43Å; L74-T78 PolarHBondContact O-OG1 2.86Å; Y75-T78 WeakPolarHBondContact O-CB 3.42Å; Y75-T78 PolarHBondContact O-N 2.69Å; T78-A80 PolarHBondContact O-N 3.13Å; T78-V81 PolarHBondContact O-N 3.29Å; T78-V82 WeakPolarHBondContact O-CG2 3.36Å; T78-V82 PolarHBondContact O-N 3.24Å; T78-I119 HydrophobicContact CG2-CG2 4.1Å; T78-L123 HydrophobicContact CG2-CD1 3.57Å; T78-L123 WeakPolarHBondContact OG1-CD1 3.45Å; T78-M142 HydrophobicContact CG2-CE 4.21Å
79	E	96.6	Very high	95.1	Very high	47 Å²	47	53.3 Å²	53.3	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-45.6	177.9	-165	-172.6	156.2	0	0	111.7	Y75 V81 V82 R83 M142 V146	Y75-E79 PolarHBondContact O-N 2.96Å; E79-V81 PolarHBondContact O-N 3.04Å; E79-V82 PolarHBondContact O-N 3.1Å; E79-R83 HydrophobicContact CG-CG 4.46Å; E79-R83 WeakPolarHBondContact O-CB 3.28Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.45Å; E79-R83 PolarHBondContact O-N 3.2Å; E79-R83 IonicContact OE1-CZ 2.71Å; E79-R83 IonicContact OE1-NE 2.67Å; E79-R83 PolarHBondContact OE1-NE 3.29Å; E79-R83 IonicContact OE1-NH2 3.16Å; E79-R83 PolarHBondContact OE1-NH2 2.67Å; E79-M142 HydrophobicContact CB-SD 3.68Å; E79-M142 HydrophobicContact CG-CG 4.06Å; E79-M142 HydrophobicContact CG-SD 3.83Å; E79-V146 HydrophobicContact CG-CG2 4.38Å
80	A	96.9	Very high	95.4	Very high	56 Å²	56	46.3 Å²	46.3	46%	0.463	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-42.5	178.1	0	0	0	0	0	112.7	A76 G77 T78 R83 E84	A76-A80 VanDerWaalsContact O-CB 3.31Å; A76-A80 WeakPolarHBondContact O-CB 3.18Å; A76-A80 PolarHBondContact O-N 2.88Å; G77-A80 PolarHBondContact O-N 3.31Å; T78-A80 PolarHBondContact O-N 3.13Å; A80-R83 PolarHBondContact O-N 3.13Å; A80-E84 WeakPolarHBondContact O-CB 3.41Å; A80-E84 PolarHBondContact O-N 2.9Å
81	V	96.8	Very high	95.7	Very high	6 Å²	6	47 Å²	47	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-40	177.1	175.4	0	0	0	0	111.3	W35 K39 I42 I43 G77 T78 E79 E84 H85	W35-V81 HydrophobicContact CH2-CG2 4.3Å; W35-V81 HydrophobicContact CZ2-CG2 4.17Å; K39-V81 HydrophobicContact CD-CG2 4.14Å; K39-V81 HydrophobicContact CG-CG2 3.87Å; I42-V81 HydrophobicContact CB-CG1 4.3Å; I42-V81 HydrophobicContact CG2-CB 4.4Å; I42-V81 HydrophobicContact CG2-CG1 3.58Å; I43-V81 HydrophobicContact CD1-CG1 4.43Å; I43-V81 HydrophobicContact CG1-CG1 3.79Å; G77-V81 VanDerWaalsContact O-CG2 3.31Å; G77-V81 WeakPolarHBondContact O-CG2 3.35Å; G77-V81 PolarHBondContact O-N 3.16Å; G77-V81 VanDerWaalsContact O-N 3.16Å; T78-V81 PolarHBondContact O-N 3.29Å; E79-V81 PolarHBondContact O-N 3.04Å; V81-E84 PolarHBondContact O-N 2.74Å; V81-H85 PolarHBondContact O-N 2.75Å; V81-H85 VanDerWaalsContact O-N 3.15Å
82	V	97.5	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-43.1	174.3	176.3	0	0	0	0	111.1	T78 E79 H85 M86 M116 M142 V146	T78-V82 WeakPolarHBondContact O-CG2 3.36Å; T78-V82 PolarHBondContact O-N 3.24Å; E79-V82 PolarHBondContact O-N 3.1Å; V82-H85 PolarHBondContact O-N 3.38Å; V82-M86 HydrophobicContact CG1-CG 4.34Å; V82-M86 WeakPolarHBondContact O-CB 3.31Å; V82-M86 VanDerWaalsContact O-CG 3.3Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 2.83Å; V82-M116 HydrophobicContact CG1-SD 4.15Å; V82-M116 HydrophobicContact CG2-SD 3.93Å; V82-M142 HydrophobicContact CG2-CE 4.16Å; V82-V146 HydrophobicContact CG1-CB 4.27Å; V82-V146 HydrophobicContact CG1-CG1 4.07Å
83	R	98	Very high	96	Very high	87 Å²	87	41.7 Å²	41.7	33%	0.328	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-44.7	175.8	-72.9	178.6	177.2	-79.8	-0.6	112.3	E79 A80 H85 M86 I87 V146 L150	E79-R83 HydrophobicContact CG-CG 4.46Å; E79-R83 WeakPolarHBondContact O-CB 3.28Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.45Å; E79-R83 PolarHBondContact O-N 3.2Å; E79-R83 IonicContact OE1-CZ 2.71Å; E79-R83 IonicContact OE1-NE 2.67Å; E79-R83 PolarHBondContact OE1-NE 3.29Å; E79-R83 IonicContact OE1-NH2 3.16Å; E79-R83 PolarHBondContact OE1-NH2 2.67Å; A80-R83 PolarHBondContact O-N 3.13Å; R83-H85 VanDerWaalsContact C-N 3.33Å; R83-H85 PolarHBondContact O-N 3.33Å; R83-M86 PolarHBondContact O-N 2.75Å; R83-I87 WeakPolarHBondContact O-CG1 3.5Å; R83-I87 PolarHBondContact O-N 3Å; R83-V146 HydrophobicContact CB-CG1 4.34Å; R83-V146 HydrophobicContact CG-CG1 3.6Å; R83-V146 HydrophobicContact CG-CG2 4.06Å; R83-L150 HydrophobicContact CB-CD1 3.99Å; R83-L150 HydrophobicContact CG-CD1 3.97Å
84	E	96.7	Very high	96.2	Very high	96 Å²	96	39.4 Å²	39.4	45%	0.449	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-38.5	178.6	-161.9	-156.1	131.6	0	0	112.2	A80 V81 K88	A80-E84 WeakPolarHBondContact O-CB 3.41Å; A80-E84 PolarHBondContact O-N 2.9Å; V81-E84 PolarHBondContact O-N 2.74Å; E84-K88 IonicContact OE1-NZ 3.22Å; E84-K88 PolarHBondContact OE1-NZ 3.45Å
85	H	96.9	Very high	96.1	Very high	42 Å²	42	46.5 Å²	46.5	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-70.8	-43.3	174.9	-179.5	56.6	0	0	0	112.2	V81 V82 R83 I87 K88 I89	V81-H85 PolarHBondContact O-N 2.75Å; V81-H85 VanDerWaalsContact O-N 3.15Å; V82-H85 PolarHBondContact O-N 3.38Å; R83-H85 VanDerWaalsContact C-N 3.33Å; R83-H85 PolarHBondContact O-N 3.33Å; H85-I87 VanDerWaalsContact C-N 3.28Å; H85-I87 PolarHBondContact O-N 3.4Å; H85-K88 PolarHBondContact O-N 3.06Å; H85-I89 PolarHBondContact O-N 2.81Å
86	M	97	Very high	95.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-30.6	179.2	-73.3	-61.2	104.4	0	0	113.6	V82 R83 I89 R90 H112 V146 F147 L150 V151	V82-M86 HydrophobicContact CG1-CG 4.34Å; V82-M86 WeakPolarHBondContact O-CB 3.31Å; V82-M86 VanDerWaalsContact O-CG 3.3Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 2.83Å; R83-M86 PolarHBondContact O-N 2.75Å; M86-I89 HydrophobicContact CE-CB 4.3Å; M86-I89 HydrophobicContact CE-CG1 3.9Å; M86-I89 PolarHBondContact O-N 3.01Å; M86-R90 WeakPolarHBondContact O-CB 3.41Å; M86-R90 PolarHBondContact O-N 3.32Å; M86-H112 HydrophobicContact CE-CB 4.43Å; M86-H112 VanDerWaalsContact CE-ND1 3.32Å; M86-H112 WeakPolarHBondContact CE-ND1 3.32Å; M86-V146 HydrophobicContact CB-CG1 4.19Å; M86-V146 HydrophobicContact CG-CG1 3.99Å; M86-F147 HydrophobicContact CE-CD2 4.46Å; M86-F147 HydrophobicContact SD-CB 4.24Å; M86-F147 HydrophobicContact SD-CD2 3.42Å; M86-F147 WeakPolarHBondContact SD-CD2 3.48Å; M86-F147 HydrophobicContact SD-CE2 4.16Å; M86-F147 HydrophobicContact SD-CG 4.18Å; M86-L150 HydrophobicContact CB-CB 4.34Å; M86-L150 HydrophobicContact CB-CD1 4.22Å; M86-V151 HydrophobicContact CB-CG2 4.33Å; M86-V151 HydrophobicContact SD-CG2 4.02Å
87	I	96.7	Very high	95.6	Very high	68 Å²	68	46.5 Å²	46.5	35%	0.349	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-45.4	170.4	-75	165.8	0	0	0	111.2	R83 H85 R90 D91 L150	R83-I87 WeakPolarHBondContact O-CG1 3.5Å; R83-I87 PolarHBondContact O-N 3Å; H85-I87 VanDerWaalsContact C-N 3.28Å; H85-I87 PolarHBondContact O-N 3.4Å; I87-R90 WeakPolarHBondContact O-CB 3.31Å; I87-R90 PolarHBondContact O-N 3.06Å; I87-D91 VanDerWaalsContact O-CG 3.27Å; I87-D91 PolarHBondContact O-N 3.05Å; I87-L150 HydrophobicContact CG1-CD1 4.32Å
88	K	95.9	Very high	95.1	Very high	114 Å²	114	53.3 Å²	53.3	50%	0.496	27%	0.27	S	S	.	.	H	α-helix	trans	-69.1	-36.2	-179.8	-60.9	166.5	-167.6	172.9	0	111.9	E84 H85 S92	E84-K88 IonicContact OE1-NZ 3.22Å; E84-K88 PolarHBondContact OE1-NZ 3.45Å; H85-K88 PolarHBondContact O-N 3.06Å; K88-S92 PolarHBondContact O-N 3.37Å
89	I	96	Very high	94.6	Very high	34 Å²	34	58 Å²	58	17%	0.174	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-44.8	173.9	-65.4	-61.9	0	0	0	111.2	H85 M86 D91 S92 I93 C108	H85-I89 PolarHBondContact O-N 2.81Å; M86-I89 HydrophobicContact CE-CB 4.3Å; M86-I89 HydrophobicContact CE-CG1 3.9Å; M86-I89 PolarHBondContact O-N 3.01Å; I89-D91 VanDerWaalsContact C-N 3.34Å; I89-D91 PolarHBondContact O-N 3.43Å; I89-S92 PolarHBondContact O-N 2.84Å; I89-I93 HydrophobicContact CG2-CD1 3.66Å; I89-I93 HydrophobicContact CG2-CG1 4.48Å; I89-I93 WeakPolarHBondContact O-CD1 3.31Å; I89-I93 VanDerWaalsContact O-CG1 3.25Å; I89-I93 WeakPolarHBondContact O-CG1 3.26Å; I89-I93 PolarHBondContact O-N 3.28Å; I89-C108 HydrophobicContact CG2-CB 3.97Å
90	R	96.5	Very high	94	Very high	49 Å²	49	63.6 Å²	63.6	19%	0.185	32%	0.318	C	S	.	.	H	α-helix	trans	-53.3	-51.2	173.1	175.5	-157.1	71.7	-162	-0.4	111.1	M86 I87 S92 I93 V94 L150 V151 Y154 I157	M86-R90 WeakPolarHBondContact O-CB 3.41Å; M86-R90 PolarHBondContact O-N 3.32Å; I87-R90 WeakPolarHBondContact O-CB 3.31Å; I87-R90 PolarHBondContact O-N 3.06Å; R90-S92 PolarHBondContact O-N 3.17Å; R90-I93 WeakPolarHBondContact O-CB 3.35Å; R90-I93 PolarHBondContact O-N 3.01Å; R90-I93 VanDerWaalsContact O-N 3.13Å; R90-V94 WeakPolarHBondContact O-CG2 3.38Å; R90-V94 PolarHBondContact O-N 2.93Å; R90-L150 WeakPolarHBondContact CD-O 3.47Å; R90-L150 WeakPolarHBondContact CG-O 3.46Å; R90-V151 HydrophobicContact CB-CG2 4.33Å; R90-Y154 HydrophobicContact CG-CD1 4.02Å; R90-Y154 HydrophobicContact CG-CG 4.01Å; R90-I157 HydrophobicContact CG-CD1 3.93Å
91	D	95.8	Very high	93.9	Very high	64 Å²	64	61.3 Å²	61.3	34%	0.342	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-41.9	-174.3	-66.2	-22.4	0	0	0	111.5	I87 I89 I93 V94 E95	I87-D91 VanDerWaalsContact O-CG 3.27Å; I87-D91 PolarHBondContact O-N 3.05Å; I89-D91 VanDerWaalsContact C-N 3.34Å; I89-D91 PolarHBondContact O-N 3.43Å; D91-I93 VanDerWaalsContact C-N 3.32Å; D91-I93 PolarHBondContact O-N 3.28Å; D91-V94 WeakPolarHBondContact O-CB 3.48Å; D91-V94 PolarHBondContact O-N 3.17Å; D91-V94 VanDerWaalsContact O-N 3.14Å; D91-E95 PolarHBondContact O-N 2.72Å; D91-E95 VanDerWaalsContact O-N 3.08Å
92	S	94.7	Very high	93.7	Very high	35 Å²	35	61.8 Å²	61.8	25%	0.245	30%	0.3	C	S	.	.	H	α-helix	trans	-70.8	-24.8	175	-153.5	0	0	0	0	113.9	K88 I89 R90 E95 N96 Y104	K88-S92 PolarHBondContact O-N 3.37Å; I89-S92 PolarHBondContact O-N 2.84Å; R90-S92 PolarHBondContact O-N 3.17Å; S92-E95 WeakPolarHBondContact CA-OE2 3.4Å; S92-E95 PolarHBondContact OG-OE2 2.77Å; S92-N96 PolarHBondContact O-N 3.14Å; S92-N96 PolarHBondContact O-ND2 3.39Å; S92-Y104 PolarHBondContact OG-OH 3.42Å
93	I	94.9	Very high	93.5	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69.6	-37.6	169	-69.7	162.6	0	0	0	111	I89 R90 D91 N96 L97 F101 Y104 L105 C108 V151 I157	I89-I93 HydrophobicContact CG2-CD1 3.66Å; I89-I93 HydrophobicContact CG2-CG1 4.48Å; I89-I93 WeakPolarHBondContact O-CD1 3.31Å; I89-I93 VanDerWaalsContact O-CG1 3.25Å; I89-I93 WeakPolarHBondContact O-CG1 3.26Å; I89-I93 PolarHBondContact O-N 3.28Å; R90-I93 WeakPolarHBondContact O-CB 3.35Å; R90-I93 PolarHBondContact O-N 3.01Å; R90-I93 VanDerWaalsContact O-N 3.13Å; D91-I93 VanDerWaalsContact C-N 3.32Å; D91-I93 PolarHBondContact O-N 3.28Å; I93-N96 PolarHBondContact O-N 3.16Å; I93-N96 VanDerWaalsContact O-N 3.15Å; I93-L97 PolarHBondContact O-N 3.44Å; I93-F101 HydrophobicContact CG2-CD2 4.14Å; I93-F101 HydrophobicContact CG2-CE2 3.66Å; I93-Y104 HydrophobicContact CB-CE1 4.45Å; I93-Y104 HydrophobicContact CG1-CD1 3.89Å; I93-Y104 HydrophobicContact CG1-CE1 3.68Å; I93-L105 HydrophobicContact CD1-CD1 3.89Å; I93-C108 HydrophobicContact CD1-CB 4.03Å; I93-V151 HydrophobicContact CD1-CG1 3.48Å; I93-V151 VanDerWaalsContact CD1-CG1 3.48Å; I93-I157 HydrophobicContact CB-CD1 4.1Å; I93-I157 HydrophobicContact CG2-CD1 3.7Å; I93-I157 HydrophobicContact CG2-CG1 4.06Å
94	V	94.5	Very high	93.3	Very high	44 Å²	44	64.7 Å²	64.7	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-41	174.2	174.2	0	0	0	0	111.2	R90 D91 N96 L97 Y154 I157	R90-V94 WeakPolarHBondContact O-CG2 3.38Å; R90-V94 PolarHBondContact O-N 2.93Å; D91-V94 WeakPolarHBondContact O-CB 3.48Å; D91-V94 PolarHBondContact O-N 3.17Å; D91-V94 VanDerWaalsContact O-N 3.14Å; V94-N96 PolarHBondContact O-N 3.47Å; V94-L97 HydrophobicContact CB-CD1 4.49Å; V94-L97 HydrophobicContact CG1-CD1 4.13Å; V94-L97 WeakPolarHBondContact O-CD1 3.39Å; V94-L97 VanDerWaalsContact O-CG 3.31Å; V94-L97 WeakPolarHBondContact O-CG 3.46Å; V94-L97 PolarHBondContact O-N 3.25Å; V94-Y154 HydrophobicContact CG2-CD1 4.2Å; V94-Y154 HydrophobicContact CG2-CE1 3.93Å; V94-I157 HydrophobicContact CG2-CD1 4.01Å; V94-I157 HydrophobicContact CG2-CG1 4.03Å
95	E	92.5	Very high	93.3	Very high	152 Å²	152	60.3 Å²	60.3	71%	0.71	30%	0.3	S	S	*	.	H	α-helix	trans	-60	-29.6	173.9	-67.1	171.7	157.5	0	0	113.1	D91 S92	D91-E95 PolarHBondContact O-N 2.72Å; D91-E95 VanDerWaalsContact O-N 3.08Å; S92-E95 WeakPolarHBondContact CA-OE2 3.4Å; S92-E95 PolarHBondContact OG-OE2 2.77Å
96	N	91.2	Very high	93.2	Very high	45 Å²	45	59.2 Å²	59.2	24%	0.241	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	8.1	-173.5	-75.4	-84.6	0	0	0	114.9	S92 I93 V94 N98 N99 Y104	S92-N96 PolarHBondContact O-N 3.14Å; S92-N96 PolarHBondContact O-ND2 3.39Å; I93-N96 PolarHBondContact O-N 3.16Å; I93-N96 VanDerWaalsContact O-N 3.15Å; V94-N96 PolarHBondContact O-N 3.47Å; N96-N98 PolarHBondContact O-N 2.97Å; N96-N98 VanDerWaalsContact O-N 3.12Å; N96-N99 PolarHBondContact O-N 3.12Å; N96-Y104 HydrophobicContact CB-CD1 3.92Å; N96-Y104 HydrophobicContact CB-CE1 4.27Å; N96-Y104 HydrophobicContact CB-CG 4.35Å
97	L	90.1	Very high	93	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.11	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-39.4	-179.2	-72.1	165.9	0	0	0	113.7	I93 V94 F101 I156 H160	I93-L97 PolarHBondContact O-N 3.44Å; V94-L97 HydrophobicContact CB-CD1 4.49Å; V94-L97 HydrophobicContact CG1-CD1 4.13Å; V94-L97 WeakPolarHBondContact O-CD1 3.39Å; V94-L97 VanDerWaalsContact O-CG 3.31Å; V94-L97 WeakPolarHBondContact O-CG 3.46Å; V94-L97 PolarHBondContact O-N 3.25Å; L97-F101 HydrophobicContact CD2-CD2 3.8Å; L97-F101 HydrophobicContact CD2-CE2 3.66Å; L97-F101 HydrophobicContact CD2-CG 4.49Å; L97-F101 HydrophobicContact CD2-CZ 4.27Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.32Å; L97-I156 HydrophobicContact CD1-CG2 3.66Å; L97-H160 HydrophobicContact CD2-CB 3.92Å; L97-H160 PolarHBondContact O-NE2 3.06Å
98	N	86.2	Confident	93	Very high	159 Å²	159	59.1 Å²	59.1	85%	0.85	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	1	-176.4	-65.2	-36.7	0	0	0	114.4	N96	N96-N98 PolarHBondContact O-N 2.97Å; N96-N98 VanDerWaalsContact O-N 3.12Å
99	N	84.1	Confident	93	Very high	99 Å²	99	54 Å²	54	53%	0.529	28%	0.279	S	S	.	.	S	Bend	trans	-138	101.1	-174.3	-173.3	7.6	0	0	0	112.2	N96 F101	N96-N99 PolarHBondContact O-N 3.12Å; N99-F101 PolarHBondContact O-N 2.88Å; N99-F101 VanDerWaalsContact O-N 3.1Å
100	K	85.3	Confident	93	Very high	163 Å²	163	56.9 Å²	56.9	71%	0.709	29%	0.291	S	S	*	.	S	Bend	trans	55	26.1	178.3	-59.1	174.5	-176.4	175.4	0	114.4	L102 T103 Y104	K100-L102 PolarHBondContact O-N 3.33Å; K100-L102 VanDerWaalsContact O-N 3.15Å; K100-T103 WeakPolarHBondContact O-CA 3.44Å; K100-T103 WeakPolarHBondContact O-CB 3.18Å; K100-T103 PolarHBondContact O-N 3.45Å; K100-Y104 PolarHBondContact O-N 2.84Å
101	F	93.9	Very high	92.9	Very high	9 Å²	9	57.1 Å²	57.1	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-40.3	-53.9	-173.6	165.2	-107.2	0	0	0	115.2	I93 L97 N99 T103 Y104 L105 I157 H160 L161	I93-F101 HydrophobicContact CG2-CD2 4.14Å; I93-F101 HydrophobicContact CG2-CE2 3.66Å; L97-F101 HydrophobicContact CD2-CD2 3.8Å; L97-F101 HydrophobicContact CD2-CE2 3.66Å; L97-F101 HydrophobicContact CD2-CG 4.49Å; L97-F101 HydrophobicContact CD2-CZ 4.27Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.32Å; N99-F101 PolarHBondContact O-N 2.88Å; N99-F101 VanDerWaalsContact O-N 3.1Å; F101-T103 VanDerWaalsContact C-N 3.29Å; F101-T103 PolarHBondContact O-N 3.32Å; F101-Y104 PolarHBondContact O-N 2.71Å; F101-Y104 VanDerWaalsContact O-N 3.13Å; F101-L105 HydrophobicContact CE1-CD2 4.36Å; F101-L105 HydrophobicContact CE2-CB 4.47Å; F101-L105 HydrophobicContact CE2-CD2 4.28Å; F101-L105 HydrophobicContact CZ-CD2 3.84Å; F101-L105 WeakPolarHBondContact O-CB 3.36Å; F101-L105 PolarHBondContact O-N 3.2Å; F101-I157 HydrophobicContact CE2-CG2 4.36Å; F101-I157 HydrophobicContact CZ-CG2 4.19Å; F101-H160 AromaticContact CD1-CD2 3.71Å; F101-H160 AromaticContact CE1-CD2 3.83Å; F101-L161 HydrophobicContact CE1-CB 4Å; F101-L161 HydrophobicContact CE1-CD1 3.94Å; F101-L161 HydrophobicContact CZ-CB 4.02Å; F101-L161 HydrophobicContact CZ-CD1 4.36Å
102	L	93.5	Very high	93	Very high	16 Å²	16	54.3 Å²	54.3	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-36.4	-179.9	-63.3	-177.9	0	0	0	113.1	K100 S106 L161 T164 L165 M168 Q182	K100-L102 PolarHBondContact O-N 3.33Å; K100-L102 VanDerWaalsContact O-N 3.15Å; L102-S106 WeakPolarHBondContact O-CB 3.3Å; L102-S106 PolarHBondContact O-N 3.03Å; L102-L161 HydrophobicContact CD2-CD1 3.42Å; L102-L161 VanDerWaalsContact CD2-CD1 3.42Å; L102-T164 HydrophobicContact CD1-CG2 3.85Å; L102-T164 HydrophobicContact CD2-CG2 4.47Å; L102-T164 HydrophobicContact CG-CG2 4.12Å; L102-L165 HydrophobicContact CD1-CD2 4.08Å; L102-L165 HydrophobicContact CD2-CD2 4.3Å; L102-M168 HydrophobicContact CD1-SD 3.6Å; L102-Q182 HydrophobicContact CB-CB 4.35Å; L102-Q182 HydrophobicContact CB-CG 4.36Å; L102-Q182 HydrophobicContact CD1-CB 3.96Å
103	T	93	Very high	93	Very high	75 Å²	75	54.5 Å²	54.5	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-73	-38.1	176.6	-65	0	0	0	0	111.4	K100 F101 S107 Q182	K100-T103 WeakPolarHBondContact O-CA 3.44Å; K100-T103 WeakPolarHBondContact O-CB 3.18Å; K100-T103 PolarHBondContact O-N 3.45Å; F101-T103 VanDerWaalsContact C-N 3.29Å; F101-T103 PolarHBondContact O-N 3.32Å; T103-S107 PolarHBondContact O-N 2.96Å; T103-S107 VanDerWaalsContact O-N 3.09Å; T103-Q182 PolarHBondContact OG1-NE2 3.39Å
104	Y	94.2	Very high	93.1	Very high	73 Å²	73	58.4 Å²	58.4	29%	0.286	30%	0.302	S	S	.	.	H	α-helix	trans	-67.2	-50.6	176.1	-173.1	-108.1	0	0	0	111.5	S92 I93 N96 K100 F101 S106 S107 C108	S92-Y104 PolarHBondContact OG-OH 3.42Å; I93-Y104 HydrophobicContact CB-CE1 4.45Å; I93-Y104 HydrophobicContact CG1-CD1 3.89Å; I93-Y104 HydrophobicContact CG1-CE1 3.68Å; N96-Y104 HydrophobicContact CB-CD1 3.92Å; N96-Y104 HydrophobicContact CB-CE1 4.27Å; N96-Y104 HydrophobicContact CB-CG 4.35Å; K100-Y104 PolarHBondContact O-N 2.84Å; F101-Y104 PolarHBondContact O-N 2.71Å; F101-Y104 VanDerWaalsContact O-N 3.13Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 3.27Å; Y104-S107 WeakPolarHBondContact O-CA 3.33Å; Y104-S107 VanDerWaalsContact O-CB 3.31Å; Y104-S107 WeakPolarHBondContact O-CB 3.29Å; Y104-S107 PolarHBondContact O-N 3.14Å; Y104-C108 PolarHBondContact O-N 3.35Å; Y104-C108 PolarHBondContact O-SG 3.35Å; Y104-C108 VanDerWaalsContact O-SG 3.41Å
105	L	95.7	Very high	93.2	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-55.5	-43.3	174.3	178.1	63.1	0	0	0	112	I93 F101 S107 C108 W109 F147 V151 L161 M189	I93-L105 HydrophobicContact CD1-CD1 3.89Å; F101-L105 HydrophobicContact CE1-CD2 4.36Å; F101-L105 HydrophobicContact CE2-CB 4.47Å; F101-L105 HydrophobicContact CE2-CD2 4.28Å; F101-L105 HydrophobicContact CZ-CD2 3.84Å; F101-L105 WeakPolarHBondContact O-CB 3.36Å; F101-L105 PolarHBondContact O-N 3.2Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 2.82Å; L105-C108 PolarHBondContact O-N 2.81Å; L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 2.78Å; L105-F147 HydrophobicContact CD1-CE1 4.47Å; L105-F147 HydrophobicContact CD1-CZ 4.35Å; L105-V151 HydrophobicContact CD1-CG1 4.34Å; L105-L161 HydrophobicContact CD2-CD1 3.91Å; L105-L161 HydrophobicContact CD2-CD2 3.97Å; L105-M189 HydrophobicContact CD2-CE 4.14Å; L105-M189 HydrophobicContact CD2-SD 4.48Å; L105-M189 HydrophobicContact CG-SD 4.28Å
106	S	94.4	Very high	93.3	Very high	19 Å²	19	49.6 Å²	49.6	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-33.8	175.5	-168.3	0	0	0	0	112.7	L102 Y104 K110	L102-S106 WeakPolarHBondContact O-CB 3.3Å; L102-S106 PolarHBondContact O-N 3.03Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 3.27Å; S106-K110 WeakPolarHBondContact O-CB 3.31Å; S106-K110 WeakPolarHBondContact O-CD 3.31Å; S106-K110 VanDerWaalsContact O-CG 3.28Å; S106-K110 WeakPolarHBondContact O-CG 3.45Å; S106-K110 PolarHBondContact O-N 2.99Å; S106-K110 VanDerWaalsContact O-N 3.08Å; S106-K110 WeakPolarHBondContact OG-CE 3.44Å; S106-K110 PolarHBondContact OG-NZ 3.4Å
107	S	94.5	Very high	93.5	Very high	57 Å²	57	48 Å²	48	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-52.5	172.3	-165.7	0	0	0	0	111.1	T103 Y104 L105 W109 K110 D111	T103-S107 PolarHBondContact O-N 2.96Å; T103-S107 VanDerWaalsContact O-N 3.09Å; Y104-S107 WeakPolarHBondContact O-CA 3.33Å; Y104-S107 VanDerWaalsContact O-CB 3.31Å; Y104-S107 WeakPolarHBondContact O-CB 3.29Å; Y104-S107 PolarHBondContact O-N 3.14Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 2.82Å; S107-W109 PolarHBondContact O-N 3.11Å; S107-K110 PolarHBondContact O-N 3.17Å; S107-K110 VanDerWaalsContact O-N 3.12Å; S107-D111 WeakPolarHBondContact O-CB 3.49Å; S107-D111 PolarHBondContact O-N 3Å; S107-D111 PolarHBondContact OG-OD2 3.05Å
108	C	95.4	Very high	93.8	Very high	10 Å²	10	49.4 Å²	49.4	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-36.8	178.3	-62.4	0	0	0	0	112.2	I89 I93 Y104 L105 H112	I89-C108 HydrophobicContact CG2-CB 3.97Å; I93-C108 HydrophobicContact CD1-CB 4.03Å; Y104-C108 PolarHBondContact O-N 3.35Å; Y104-C108 PolarHBondContact O-SG 3.35Å; Y104-C108 VanDerWaalsContact O-SG 3.41Å; L105-C108 PolarHBondContact O-N 2.81Å; C108-H112 VanDerWaalsContact O-CB 3.32Å; C108-H112 WeakPolarHBondContact O-CB 3.39Å; C108-H112 PolarHBondContact O-N 3.1Å
109	W	96.1	Very high	94.2	Very high	6 Å²	6	41.9 Å²	41.9	2%	0.023	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-52.8	173.6	176.7	-123.4	0	0	0	112.7	L105 S107 D111 H112 Q113 M144 F147 M189 Q192 L193	L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 2.78Å; S107-W109 PolarHBondContact O-N 3.11Å; W109-D111 VanDerWaalsContact C-N 3.27Å; W109-D111 PolarHBondContact O-N 3.1Å; W109-H112 PolarHBondContact O-N 3.48Å; W109-H112 VanDerWaalsContact O-N 3.14Å; W109-Q113 HydrophobicContact CD2-CG 3.95Å; W109-Q113 VanDerWaalsContact CE2-NE2 3.34Å; W109-Q113 HydrophobicContact CE3-CG 4.21Å; W109-Q113 HydrophobicContact CH2-CG 4.1Å; W109-Q113 HydrophobicContact CZ2-CG 3.79Å; W109-Q113 HydrophobicContact CZ3-CG 4.27Å; W109-Q113 VanDerWaalsContact NE1-CD 3.34Å; W109-Q113 WeakPolarHBondContact O-CG 3.31Å; W109-Q113 PolarHBondContact O-N 3.29Å; W109-M144 HydrophobicContact CH2-CE 4.33Å; W109-M144 HydrophobicContact CH2-SD 3.35Å; W109-M144 WeakPolarHBondContact CH2-SD 3.38Å; W109-M144 HydrophobicContact CZ2-SD 4.17Å; W109-M144 HydrophobicContact CZ3-CE 4.4Å; W109-M144 HydrophobicContact CZ3-SD 3.97Å; W109-F147 HydrophobicContact CB-CE1 4.44Å; W109-F147 HydrophobicContact CB-CZ 3.97Å; W109-F147 HydrophobicContact CD2-CE1 4.42Å; W109-F147 AromaticContact CE3-CD1 3.66Å; W109-F147 HydrophobicContact CE3-CD1 3.66Å; W109-F147 AromaticContact CE3-CD2 3.98Å; W109-F147 HydrophobicContact CE3-CD2 3.98Å; W109-F147 AromaticContact CE3-CE1 3.66Å; W109-F147 HydrophobicContact CE3-CE1 3.66Å; W109-F147 HydrophobicContact CE3-CE2 4.01Å; W109-F147 AromaticContact CE3-CG 3.83Å; W109-F147 HydrophobicContact CE3-CG 3.83Å; W109-F147 AromaticContact CE3-CZ 3.85Å; W109-F147 HydrophobicContact CE3-CZ 3.85Å; W109-F147 HydrophobicContact CZ3-CB 4.13Å; W109-F147 AromaticContact CZ3-CD1 3.85Å; W109-F147 HydrophobicContact CZ3-CD1 3.85Å; W109-F147 HydrophobicContact CZ3-CD2 4.32Å; W109-F147 HydrophobicContact CZ3-CE1 4.32Å; W109-F147 AromaticContact CZ3-CG 3.86Å; W109-F147 HydrophobicContact CZ3-CG 3.86Å; W109-M189 HydrophobicContact CB-CG 4.49Å; W109-M189 HydrophobicContact CB-SD 4.16Å; W109-M189 HydrophobicContact CD2-CG 3.79Å; W109-M189 HydrophobicContact CD2-SD 4.44Å; W109-M189 HydrophobicContact CE3-CG 4.49Å; W109-M189 HydrophobicContact CG-CB 4.36Å; W109-M189 HydrophobicContact CG-CG 3.77Å; W109-M189 HydrophobicContact CG-SD 4.07Å; W109-M189 HydrophobicContact CZ2-CG 4.36Å; W109-Q192 HydrophobicContact CZ2-CB 3.75Å; W109-L193 HydrophobicContact CE3-CD2 4.21Å; W109-L193 HydrophobicContact CH2-CD2 3.38Å; W109-L193 HydrophobicContact CH2-CG 3.72Å; W109-L193 HydrophobicContact CZ2-CD2 4.3Å; W109-L193 HydrophobicContact CZ2-CG 4.18Å; W109-L193 HydrophobicContact CZ3-CD2 3.35Å; W109-L193 HydrophobicContact CZ3-CG 4.07Å
110	K	95.9	Very high	94.8	Very high	95 Å²	95	41.5 Å²	41.5	41%	0.413	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-36.7	179.5	-73.7	162.5	-179.7	153.4	0	112	S106 S107 T114 D185	S106-K110 WeakPolarHBondContact O-CB 3.31Å; S106-K110 WeakPolarHBondContact O-CD 3.31Å; S106-K110 VanDerWaalsContact O-CG 3.28Å; S106-K110 WeakPolarHBondContact O-CG 3.45Å; S106-K110 PolarHBondContact O-N 2.99Å; S106-K110 VanDerWaalsContact O-N 3.08Å; S106-K110 WeakPolarHBondContact OG-CE 3.44Å; S106-K110 PolarHBondContact OG-NZ 3.4Å; S107-K110 PolarHBondContact O-N 3.17Å; S107-K110 VanDerWaalsContact O-N 3.12Å; K110-T114 WeakPolarHBondContact O-CB 3.37Å; K110-T114 PolarHBondContact O-N 2.71Å; K110-T114 VanDerWaalsContact O-N 3.13Å; K110-T114 PolarHBondContact O-OG1 3.12Å; K110-D185 IonicContact NZ-OD2 2.78Å; K110-D185 PolarHBondContact NZ-OD2 3.26Å
111	D	95.8	Very high	95.2	Very high	54 Å²	54	37.2 Å²	37.2	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-47.6	173.3	-69.6	-38.2	0	0	0	111.8	K48 S107 W109 T114 A115	K48-D111 VanDerWaalsContact CE-CG 3.43Å; K48-D111 VanDerWaalsContact CE-OD1 3.29Å; K48-D111 WeakPolarHBondContact CE-OD1 3.3Å; K48-D111 IonicContact NZ-OD1 2.65Å; K48-D111 PolarHBondContact NZ-OD1 2.87Å; K48-D111 IonicContact NZ-OD2 3.86Å; K48-D111 PolarHBondContact NZ-OD2 3.42Å; S107-D111 WeakPolarHBondContact O-CB 3.49Å; S107-D111 PolarHBondContact O-N 3Å; S107-D111 PolarHBondContact OG-OD2 3.05Å; W109-D111 VanDerWaalsContact C-N 3.27Å; W109-D111 PolarHBondContact O-N 3.1Å; D111-T114 WeakPolarHBondContact O-CB 3.3Å; D111-T114 PolarHBondContact O-N 2.73Å; D111-A115 PolarHBondContact O-N 3.49Å
112	H	96.7	Very high	95.2	Very high	6 Å²	6	37 Å²	37	3%	0.028	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-41.9	177.6	-178.1	66.1	0	0	0	112.9	M86 C108 W109 T114 A115 M116 G143 F147	M86-H112 HydrophobicContact CE-CB 4.43Å; M86-H112 VanDerWaalsContact CE-ND1 3.32Å; M86-H112 WeakPolarHBondContact CE-ND1 3.32Å; C108-H112 VanDerWaalsContact O-CB 3.32Å; C108-H112 WeakPolarHBondContact O-CB 3.39Å; C108-H112 PolarHBondContact O-N 3.1Å; W109-H112 PolarHBondContact O-N 3.48Å; W109-H112 VanDerWaalsContact O-N 3.14Å; H112-T114 VanDerWaalsContact C-N 3.29Å; H112-T114 PolarHBondContact O-N 3.22Å; H112-A115 PolarHBondContact O-N 3.02Å; H112-M116 WeakPolarHBondContact CE1-CG 3.4Å; H112-M116 WeakPolarHBondContact O-CB 3.49Å; H112-M116 WeakPolarHBondContact O-CG 3.42Å; H112-M116 PolarHBondContact O-N 2.81Å; H112-G143 PolarHBondContact NE2-O 2.9Å; H112-F147 HydrophobicContact CB-CD2 3.83Å; H112-F147 HydrophobicContact CB-CE2 3.94Å; H112-F147 AromaticContact CD2-CD2 3.4Å; H112-F147 WeakPolarHBondContact CD2-CD2 3.35Å; H112-F147 AromaticContact CD2-CG 3.87Å; H112-F147 AromaticContact CG-CD2 3.62Å
113	Q	95.6	Very high	95.3	Very high	38 Å²	38	36.2 Å²	36.2	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-42.2	173.7	-71.3	-173.8	-54.1	0	0	111.8	W109 G117	W109-Q113 HydrophobicContact CD2-CG 3.95Å; W109-Q113 VanDerWaalsContact CE2-NE2 3.34Å; W109-Q113 HydrophobicContact CE3-CG 4.21Å; W109-Q113 HydrophobicContact CH2-CG 4.1Å; W109-Q113 HydrophobicContact CZ2-CG 3.79Å; W109-Q113 HydrophobicContact CZ3-CG 4.27Å; W109-Q113 VanDerWaalsContact NE1-CD 3.34Å; W109-Q113 WeakPolarHBondContact O-CG 3.31Å; W109-Q113 PolarHBondContact O-N 3.29Å; Q113-G117 PolarHBondContact O-N 2.91Å
114	T	95.5	Very high	95.4	Very high	83 Å²	83	35.5 Å²	35.5	51%	0.509	18%	0.184	S	C	.	.	H	α-helix	trans	-64.5	-48.5	177.5	-56.6	0	0	0	0	111	K110 D111 H112 G117 M118	K110-T114 WeakPolarHBondContact O-CB 3.37Å; K110-T114 PolarHBondContact O-N 2.71Å; K110-T114 VanDerWaalsContact O-N 3.13Å; K110-T114 PolarHBondContact O-OG1 3.12Å; D111-T114 WeakPolarHBondContact O-CB 3.3Å; D111-T114 PolarHBondContact O-N 2.73Å; H112-T114 VanDerWaalsContact C-N 3.29Å; H112-T114 PolarHBondContact O-N 3.22Å; T114-G117 PolarHBondContact O-N 2.72Å; T114-M118 HydrophobicContact CG2-CE 3.94Å; T114-M118 PolarHBondContact O-N 3.14Å
115	A	96.5	Very high	95.3	Very high	10 Å²	10	34.3 Å²	34.3	8%	0.083	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-47.4	177.5	0	0	0	0	0	112.1	I45 D111 H112 G117 M118 I119	I45-A115 HydrophobicContact CG2-CB 3.93Å; D111-A115 PolarHBondContact O-N 3.49Å; H112-A115 PolarHBondContact O-N 3.02Å; A115-G117 VanDerWaalsContact C-N 3.3Å; A115-G117 PolarHBondContact O-N 3.4Å; A115-M118 PolarHBondContact O-N 3.4Å; A115-I119 WeakPolarHBondContact O-CD1 3.36Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.42Å; A115-I119 PolarHBondContact O-N 2.87Å
116	M	96.5	Very high	95.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-28.6	179.4	-70.4	-53.5	-44.1	0	0	113.2	V82 H112 I119 R120 V139 Y140 M142 M144	V82-M116 HydrophobicContact CG1-SD 4.15Å; V82-M116 HydrophobicContact CG2-SD 3.93Å; H112-M116 WeakPolarHBondContact CE1-CG 3.4Å; H112-M116 WeakPolarHBondContact O-CB 3.49Å; H112-M116 WeakPolarHBondContact O-CG 3.42Å; H112-M116 PolarHBondContact O-N 2.81Å; M116-I119 HydrophobicContact CE-CB 4.41Å; M116-I119 HydrophobicContact CE-CG2 4.36Å; M116-I119 HydrophobicContact SD-CD1 3.93Å; M116-R120 VanDerWaalsContact O-CB 3.27Å; M116-R120 WeakPolarHBondContact O-CB 3.36Å; M116-R120 PolarHBondContact O-N 3.46Å; M116-V139 HydrophobicContact CE-CG1 3.78Å; M116-V139 WeakPolarHBondContact CE-O 3.4Å; M116-Y140 HydrophobicContact CB-CD2 3.95Å; M116-Y140 HydrophobicContact CB-CE2 4.1Å; M116-M142 HydrophobicContact CE-CE 4.23Å; M116-M144 HydrophobicContact CB-CE 4Å; M116-M144 HydrophobicContact CG-CE 4.04Å
117	G	95.1	Very high	95.2	Very high	13 Å²	13	35.2 Å²	35.2	13%	0.134	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-50.2	168.9	0	0	0	0	0	112	Q113 T114 A115 I119 R120 D121	Q113-G117 PolarHBondContact O-N 2.91Å; T114-G117 PolarHBondContact O-N 2.72Å; A115-G117 VanDerWaalsContact C-N 3.3Å; A115-G117 PolarHBondContact O-N 3.4Å; G117-I119 PolarHBondContact O-N 3.4Å; G117-R120 WeakPolarHBondContact O-CB 3.48Å; G117-R120 PolarHBondContact O-N 3.14Å; G117-D121 VanDerWaalsContact O-CG 3.27Å; G117-D121 PolarHBondContact O-N 2.84Å; G117-D121 VanDerWaalsContact O-N 3.07Å
118	M	95.3	Very high	95.1	Very high	50 Å²	50	41 Å²	41	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-41.2	177.7	-65.5	173.6	-179.5	0	0	112.7	I45 N50 F55 T114 A115 D121 I122	I45-M118 HydrophobicContact CD1-CB 4.33Å; I45-M118 HydrophobicContact CG2-CB 3.98Å; I45-M118 HydrophobicContact CG2-SD 4.08Å; N50-M118 HydrophobicContact CB-SD 4.48Å; N50-M118 PolarHBondContact ND2-SD 3.5Å; F55-M118 HydrophobicContact CE1-CB 4.04Å; F55-M118 HydrophobicContact CE1-CG 4.41Å; F55-M118 HydrophobicContact CZ-CB 4.23Å; F55-M118 HydrophobicContact CZ-CG 4.33Å; F55-M118 HydrophobicContact CZ-SD 4.5Å; T114-M118 HydrophobicContact CG2-CE 3.94Å; T114-M118 PolarHBondContact O-N 3.14Å; A115-M118 PolarHBondContact O-N 3.4Å; M118-D121 PolarHBondContact O-N 3.33Å; M118-I122 WeakPolarHBondContact O-CG1 3.48Å; M118-I122 PolarHBondContact O-N 3.06Å; M118-I122 VanDerWaalsContact O-N 3.11Å
119	I	96	Very high	95	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-41.5	178.5	-63.9	159.8	0	0	0	110.7	I42 I45 T78 A115 M116 G117 D121 I122 L123 V139	I42-I119 HydrophobicContact CG1-CG1 4.35Å; I42-I119 HydrophobicContact CG1-CG2 4.29Å; I42-I119 HydrophobicContact CG2-CD1 3.92Å; I42-I119 HydrophobicContact CG2-CG1 4.35Å; I45-I119 HydrophobicContact CD1-CG1 4.41Å; I45-I119 HydrophobicContact CG2-CD1 4.35Å; I45-I119 HydrophobicContact CG2-CG1 4.1Å; T78-I119 HydrophobicContact CG2-CG2 4.1Å; A115-I119 WeakPolarHBondContact O-CD1 3.36Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.42Å; A115-I119 PolarHBondContact O-N 2.87Å; M116-I119 HydrophobicContact CE-CB 4.41Å; M116-I119 HydrophobicContact CE-CG2 4.36Å; M116-I119 HydrophobicContact SD-CD1 3.93Å; G117-I119 PolarHBondContact O-N 3.4Å; I119-D121 VanDerWaalsContact C-N 3.31Å; I119-D121 PolarHBondContact O-N 3.12Å; I119-I122 PolarHBondContact O-N 3.34Å; I119-L123 HydrophobicContact CG2-CD1 3.81Å; I119-L123 HydrophobicContact CG2-CG 4.48Å; I119-L123 WeakPolarHBondContact O-CB 3.41Å; I119-L123 WeakPolarHBondContact O-CG 3.4Å; I119-L123 PolarHBondContact O-N 2.87Å; I119-V139 HydrophobicContact CG2-CG1 3.87Å
120	R	95.4	Very high	94.8	Very high	91 Å²	91	44.9 Å²	44.9	34%	0.343	22%	0.216	S	C	.	.	H	α-helix	trans	-57.1	-44	171.6	178.6	-154.1	65.9	-155.2	-5.5	111.4	M116 G117 L123 M124 V139	M116-R120 VanDerWaalsContact O-CB 3.27Å; M116-R120 WeakPolarHBondContact O-CB 3.36Å; M116-R120 PolarHBondContact O-N 3.46Å; G117-R120 WeakPolarHBondContact O-CB 3.48Å; G117-R120 PolarHBondContact O-N 3.14Å; R120-L123 CarbonylContact O-C 3.51Å; R120-L123 PolarHBondContact O-N 3.25Å; R120-M124 WeakPolarHBondContact O-CA 3.46Å; R120-M124 PolarHBondContact O-N 3.4Å; R120-V139 HydrophobicContact CB-CG1 4.32Å
121	D	93.7	Very high	94.7	Very high	73 Å²	73	40.8 Å²	40.8	39%	0.39	20%	0.199	S	C	.	.	H	α-helix	trans	-70.6	-35.7	-174.8	-67	-17.6	0	0	0	112.4	G117 M118 I119 M124	G117-D121 VanDerWaalsContact O-CG 3.27Å; G117-D121 PolarHBondContact O-N 2.84Å; G117-D121 VanDerWaalsContact O-N 3.07Å; M118-D121 PolarHBondContact O-N 3.33Å; I119-D121 VanDerWaalsContact C-N 3.31Å; I119-D121 PolarHBondContact O-N 3.12Å; D121-M124 WeakPolarHBondContact O-CB 3.35Å
122	I	94.9	Very high	94.3	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-43.4	168.6	-69.5	164.7	0	0	0	111.2	I45 F55 L58 Y59 M118 I119 M124	I45-I122 HydrophobicContact CD1-CD1 3.44Å; I45-I122 VanDerWaalsContact CD1-CD1 3.44Å; F55-I122 HydrophobicContact CD1-CD1 3.87Å; F55-I122 HydrophobicContact CD1-CG1 3.54Å; F55-I122 HydrophobicContact CE1-CD1 3.76Å; F55-I122 HydrophobicContact CE1-CG1 3.86Å; F55-I122 HydrophobicContact CG-CG1 4.34Å; F55-I122 HydrophobicContact CZ-CD1 4.39Å; L58-I122 HydrophobicContact CB-CD1 4.48Å; L58-I122 HydrophobicContact CB-CG1 4.37Å; L58-I122 HydrophobicContact CB-CG2 3.73Å; L58-I122 HydrophobicContact CD1-CD1 4.02Å; Y59-I122 WeakPolarHBondContact CD2-O 3.4Å; M118-I122 WeakPolarHBondContact O-CG1 3.48Å; M118-I122 PolarHBondContact O-N 3.06Å; M118-I122 VanDerWaalsContact O-N 3.11Å; I119-I122 PolarHBondContact O-N 3.34Å; I122-M124 VanDerWaalsContact C-N 3.34Å; I122-M124 PolarHBondContact O-N 2.84Å
123	L	95.6	Very high	94.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.9	-175.3	-60	178.8	0	0	0	113.8	I38 A62 L74 T78 I119 R120 Y125 M126 D127 V139	I38-L123 HydrophobicContact CG2-CD2 4.24Å; A62-L123 HydrophobicContact CB-CD2 3.84Å; L74-L123 HydrophobicContact CD1-CD2 4.06Å; L74-L123 HydrophobicContact CD2-CD2 4.16Å; L74-L123 HydrophobicContact CG-CD2 4.26Å; T78-L123 HydrophobicContact CG2-CD1 3.57Å; T78-L123 WeakPolarHBondContact OG1-CD1 3.45Å; I119-L123 HydrophobicContact CG2-CD1 3.81Å; I119-L123 HydrophobicContact CG2-CG 4.48Å; I119-L123 WeakPolarHBondContact O-CB 3.41Å; I119-L123 WeakPolarHBondContact O-CG 3.4Å; I119-L123 PolarHBondContact O-N 2.87Å; R120-L123 CarbonylContact O-C 3.51Å; R120-L123 PolarHBondContact O-N 3.25Å; L123-Y125 PolarHBondContact O-N 3.39Å; L123-M126 HydrophobicContact CB-CE 4.28Å; L123-M126 HydrophobicContact CD1-CE 3.97Å; L123-M126 WeakPolarHBondContact O-CA 3.43Å; L123-M126 VanDerWaalsContact O-CB 3.31Å; L123-M126 WeakPolarHBondContact O-CB 3.24Å; L123-M126 PolarHBondContact O-N 2.86Å; L123-D127 PolarHBondContact O-N 2.74Å; L123-V139 HydrophobicContact CB-CG2 4.09Å; L123-V139 HydrophobicContact CD1-CG1 4.27Å; L123-V139 HydrophobicContact CD1-CG2 4.08Å
124	M	93.8	Very high	93.9	Very high	60 Å²	60	48.5 Å²	48.5	30%	0.296	26%	0.256	S	S	.	.	H	α-helix	trans	-55.3	-28.3	-173	173.2	179.1	56.6	0	0	113.8	Y59 R120 D121 I122 R128	Y59-M124 HydrophobicContact CD2-CE 4.4Å; Y59-M124 HydrophobicContact CE2-CB 4.21Å; Y59-M124 HydrophobicContact CE2-CE 3.76Å; R120-M124 WeakPolarHBondContact O-CA 3.46Å; R120-M124 PolarHBondContact O-N 3.4Å; D121-M124 WeakPolarHBondContact O-CB 3.35Å; I122-M124 VanDerWaalsContact C-N 3.34Å; I122-M124 PolarHBondContact O-N 2.84Å; M124-R128 VanDerWaalsContact O-CG 3.28Å; M124-R128 WeakPolarHBondContact O-CG 3.31Å; M124-R128 PolarHBondContact O-N 3.13Å; M124-R128 VanDerWaalsContact SD-CZ 3.58Å; M124-R128 PolarHBondContact SD-NH2 3.18Å
125	Y	93.6	Very high	93.7	Very high	48 Å²	48	52 Å²	52	19%	0.188	27%	0.272	C	S	.	.	H	α-helix	trans	-73	-34.2	175.3	-168.2	-107.4	0	0	0	112.9	Y63 I66 L123 R128 V129	Y63-Y125 AromaticContact CD2-CD1 3.59Å; Y63-Y125 HydrophobicContact CD2-CD1 3.59Å; Y63-Y125 AromaticContact CD2-CD2 3.75Å; Y63-Y125 HydrophobicContact CD2-CD2 3.75Å; Y63-Y125 AromaticContact CD2-CE1 3.51Å; Y63-Y125 HydrophobicContact CD2-CE1 3.51Å; Y63-Y125 AromaticContact CD2-CE2 3.71Å; Y63-Y125 HydrophobicContact CD2-CE2 3.71Å; Y63-Y125 AromaticContact CD2-CG 3.7Å; Y63-Y125 HydrophobicContact CD2-CG 3.7Å; Y63-Y125 AromaticContact CD2-CZ 3.59Å; Y63-Y125 HydrophobicContact CE2-CD1 4.31Å; Y63-Y125 HydrophobicContact CE2-CD2 4.17Å; Y63-Y125 AromaticContact CE2-CE1 3.79Å; Y63-Y125 HydrophobicContact CE2-CE1 3.79Å; Y63-Y125 AromaticContact CE2-CE2 3.65Å; Y63-Y125 HydrophobicContact CE2-CE2 3.65Å; Y63-Y125 HydrophobicContact CE2-CG 4.48Å; Y63-Y125 AromaticContact CE2-CZ 3.44Å; Y63-Y125 VanDerWaalsContact CE2-CZ 3.44Å; Y63-Y125 HydrophobicContact CG-CD1 4.26Å; Y63-Y125 HydrophobicContact CG-CE1 4.34Å; I66-Y125 HydrophobicContact CB-CD1 3.79Å; I66-Y125 HydrophobicContact CB-CE1 3.9Å; I66-Y125 HydrophobicContact CG1-CD1 4.11Å; I66-Y125 HydrophobicContact CG2-CD1 3.78Å; I66-Y125 HydrophobicContact CG2-CE1 3.57Å; L123-Y125 PolarHBondContact O-N 3.39Å; Y125-R128 PolarHBondContact O-N 2.93Å; Y125-V129 HydrophobicContact CD2-CG2 4.01Å; Y125-V129 HydrophobicContact CE1-CB 4.38Å; Y125-V129 HydrophobicContact CE1-CG2 4.24Å; Y125-V129 HydrophobicContact CE2-CG2 3.6Å; Y125-V129 HydrophobicContact CG-CG2 4.47Å; Y125-V129 WeakPolarHBondContact O-CB 3.38Å; Y125-V129 PolarHBondContact O-N 3.37Å
126	M	94.5	Very high	93.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-46	173.7	-176.7	171.5	74.5	0	0	111	I66 L74 Y75 L123 R128 V129 Y130 V131 V139	I66-M126 HydrophobicContact CD1-CB 3.87Å; I66-M126 HydrophobicContact CD1-CG 3.76Å; I66-M126 HydrophobicContact CD1-SD 4.28Å; I66-M126 HydrophobicContact CG1-CB 4.12Å; L74-M126 HydrophobicContact CB-SD 3.97Å; L74-M126 HydrophobicContact CD2-SD 3.93Å; L74-M126 HydrophobicContact CG-SD 3.69Å; Y75-M126 HydrophobicContact CD2-CE 3.85Å; Y75-M126 HydrophobicContact CD2-SD 4.21Å; Y75-M126 HydrophobicContact CG-CE 4.48Å; L123-M126 HydrophobicContact CB-CE 4.28Å; L123-M126 HydrophobicContact CD1-CE 3.97Å; L123-M126 WeakPolarHBondContact O-CA 3.43Å; L123-M126 VanDerWaalsContact O-CB 3.31Å; L123-M126 WeakPolarHBondContact O-CB 3.24Å; L123-M126 PolarHBondContact O-N 2.86Å; M126-R128 VanDerWaalsContact C-N 3.27Å; M126-R128 PolarHBondContact O-N 2.77Å; M126-V129 PolarHBondContact O-N 3.27Å; M126-Y130 HydrophobicContact CG-CD1 4.11Å; M126-Y130 HydrophobicContact CG-CG 4.43Å; M126-Y130 WeakPolarHBondContact O-CA 3.35Å; M126-Y130 WeakPolarHBondContact O-CB 3.44Å; M126-Y130 PolarHBondContact O-N 2.93Å; M126-V131 HydrophobicContact CG-CG2 4.31Å; M126-V131 PolarHBondContact O-N 3.33Å; M126-V139 HydrophobicContact CE-CG2 3.36Å
127	D	92.8	Very high	93.4	Very high	40 Å²	40	57.1 Å²	57.1	21%	0.214	30%	0.298	C	S	.	.	I	π-helix	trans	-56.9	-40.2	175.3	-91.3	0.5	0	0	0	112.2	L123 G138 V139	L123-D127 PolarHBondContact O-N 2.74Å; D127-G138 VanDerWaalsContact OD1-CA 3.29Å; D127-G138 WeakPolarHBondContact OD1-CA 3.29Å; D127-V139 WeakPolarHBondContact OD1-CG2 3.34Å; D127-V139 PolarHBondContact OD1-N 3.12Å
128	R	92.2	Very high	93.3	Very high	179 Å²	179	57.6 Å²	57.6	68%	0.675	30%	0.302	S	S	*	.	I	π-helix	trans	-79.2	-31.7	-177.2	-72.5	175	-178.7	-169.5	1.6	114.8	M124 Y125 M126	M124-R128 VanDerWaalsContact O-CG 3.28Å; M124-R128 WeakPolarHBondContact O-CG 3.31Å; M124-R128 PolarHBondContact O-N 3.13Å; M124-R128 VanDerWaalsContact SD-CZ 3.58Å; M124-R128 PolarHBondContact SD-NH2 3.18Å; Y125-R128 PolarHBondContact O-N 2.93Å; M126-R128 VanDerWaalsContact C-N 3.27Å; M126-R128 PolarHBondContact O-N 2.77Å
129	V	93	Very high	93.3	Very high	66 Å²	66	55.2 Å²	55.2	40%	0.4	29%	0.291	S	S	.	.	I	π-helix	trans	-118.7	-29.9	-166.4	-178.5	0	0	0	0	113.5	I66 Y125 M126	I66-V129 HydrophobicContact CG2-CB 4.47Å; I66-V129 HydrophobicContact CG2-CG1 4.32Å; Y125-V129 HydrophobicContact CD2-CG2 4.01Å; Y125-V129 HydrophobicContact CE1-CB 4.38Å; Y125-V129 HydrophobicContact CE1-CG2 4.24Å; Y125-V129 HydrophobicContact CE2-CG2 3.6Å; Y125-V129 HydrophobicContact CG-CG2 4.47Å; Y125-V129 WeakPolarHBondContact O-CB 3.38Å; Y125-V129 PolarHBondContact O-N 3.37Å; M126-V129 PolarHBondContact O-N 3.27Å
130	Y	92.8	Very high	93.2	Very high	32 Å²	32	58.6 Å²	58.6	13%	0.125	30%	0.304	C	S	.	.	I	π-helix	trans	-104	-47.9	-175.7	-178.5	-99.3	0	0	0	112.8	I66 E72 M126 G132 P133 H134 L136	I66-Y130 HydrophobicContact CD1-CG 4.33Å; E72-Y130 VanDerWaalsContact CA-OH 3.23Å; E72-Y130 WeakPolarHBondContact CA-OH 3.46Å; E72-Y130 WeakPolarHBondContact CB-OH 3.38Å; E72-Y130 VanDerWaalsContact N-CZ 3.29Å; E72-Y130 PolarHBondContact N-OH 3.23Å; M126-Y130 HydrophobicContact CG-CD1 4.11Å; M126-Y130 HydrophobicContact CG-CG 4.43Å; M126-Y130 WeakPolarHBondContact O-CA 3.35Å; M126-Y130 WeakPolarHBondContact O-CB 3.44Å; M126-Y130 PolarHBondContact O-N 2.93Å; Y130-G132 PolarHBondContact O-N 3.43Å; Y130-P133 WeakPolarHBondContact O-CD 3.45Å; Y130-H134 AromaticContact CD2-CE1 3.45Å; Y130-H134 VanDerWaalsContact CD2-CE1 3.45Å; Y130-H134 WeakPolarHBondContact CD2-CE1 3.37Å; Y130-H134 AromaticContact CD2-ND1 3.62Å; Y130-H134 AromaticContact CE2-CD2 3.97Å; Y130-H134 AromaticContact CE2-CE1 3.11Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.29Å; Y130-H134 AromaticContact CE2-CG 3.95Å; Y130-H134 AromaticContact CE2-ND1 3.42Å; Y130-H134 WeakPolarHBondContact CE2-ND1 3.49Å; Y130-H134 AromaticContact CE2-NE2 3.45Å; Y130-H134 WeakPolarHBondContact CE2-NE2 3.5Å; Y130-H134 AromaticContact CZ-CD2 3.91Å; Y130-H134 AromaticContact CZ-CE1 3.78Å; Y130-H134 AromaticContact CZ-CG 3.81Å; Y130-H134 AromaticContact CZ-ND1 3.71Å; Y130-H134 AromaticContact CZ-NE2 3.88Å; Y130-H134 PolarHBondContact O-N 3.3Å; Y130-H134 PolarHBondContact O-ND1 2.97Å; Y130-L136 HydrophobicContact CD1-CD1 4.35Å; Y130-L136 HydrophobicContact CE1-CD1 3.7Å
131	V	92.8	Very high	93.1	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.048	30%	0.304	C	S	.	.	I	π-helix	trans	-58.7	-52.7	-172.3	168.2	0	0	0	0	112.6	Y75 M126 H134 N135 L136	Y75-V131 HydrophobicContact CD2-CG2 3.99Å; Y75-V131 HydrophobicContact CE2-CG2 3.9Å; M126-V131 HydrophobicContact CG-CG2 4.31Å; M126-V131 PolarHBondContact O-N 3.33Å; V131-H134 PolarHBondContact O-N 2.88Å; V131-N135 PolarHBondContact O-N 3.23Å; V131-L136 HydrophobicContact CG1-CB 4Å; V131-L136 WeakPolarHBondContact CG1-O 3.47Å; V131-L136 PolarHBondContact O-N 3.14Å; V131-L136 VanDerWaalsContact O-N 3.13Å
132	G	88.4	Confident	93.2	Very high	53 Å²	53	55 Å²	55	55%	0.546	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.1	-54.6	-176.8	0	0	0	0	0	114.1	Y130 H134 N135	Y130-G132 PolarHBondContact O-N 3.43Å; G132-H134 PolarHBondContact O-N 3.2Å; G132-H134 VanDerWaalsContact O-N 3.14Å; G132-N135 PolarHBondContact O-N 3.05Å
133	P	91.1	Very high	93.2	Very high	104 Å²	104	54.8 Å²	54.8	68%	0.675	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.8	177.8	-28.6	37.1	0	0	0	115.8	Y130	Y130-P133 WeakPolarHBondContact O-CD 3.45Å
134	H	92.8	Very high	93.2	Very high	104 Å²	104	54.9 Å²	54.9	48%	0.481	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-99.6	4.8	177.8	-63.1	79.6	0	0	0	112.9	Y130 V131 G132 L136	Y130-H134 AromaticContact CD2-CE1 3.45Å; Y130-H134 VanDerWaalsContact CD2-CE1 3.45Å; Y130-H134 WeakPolarHBondContact CD2-CE1 3.37Å; Y130-H134 AromaticContact CD2-ND1 3.62Å; Y130-H134 AromaticContact CE2-CD2 3.97Å; Y130-H134 AromaticContact CE2-CE1 3.11Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.29Å; Y130-H134 AromaticContact CE2-CG 3.95Å; Y130-H134 AromaticContact CE2-ND1 3.42Å; Y130-H134 WeakPolarHBondContact CE2-ND1 3.49Å; Y130-H134 AromaticContact CE2-NE2 3.45Å; Y130-H134 WeakPolarHBondContact CE2-NE2 3.5Å; Y130-H134 AromaticContact CZ-CD2 3.91Å; Y130-H134 AromaticContact CZ-CE1 3.78Å; Y130-H134 AromaticContact CZ-CG 3.81Å; Y130-H134 AromaticContact CZ-ND1 3.71Å; Y130-H134 AromaticContact CZ-NE2 3.88Å; Y130-H134 PolarHBondContact O-N 3.3Å; Y130-H134 PolarHBondContact O-ND1 2.97Å; V131-H134 PolarHBondContact O-N 2.88Å; G132-H134 PolarHBondContact O-N 3.2Å; G132-H134 VanDerWaalsContact O-N 3.14Å; H134-L136 HydrophobicContact CB-CD1 3.91Å; H134-L136 HydrophobicContact CB-CG 3.9Å; H134-L136 PolarHBondContact O-N 2.97Å
135	N	91.6	Very high	93.2	Very high	156 Å²	156	54.1 Å²	54.1	83%	0.834	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.3	-177.1	-165.2	63	0	0	0	113.2	V131 G132	V131-N135 PolarHBondContact O-N 3.23Å; G132-N135 PolarHBondContact O-N 3.05Å
136	L	93.4	Very high	93.3	Very high	62 Å²	62	51.9 Å²	51.9	33%	0.325	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-89.6	164.5	176.8	-64.5	173.3	0	0	0	111.1	Y75 Y130 V131 H134	Y75-L136 HydrophobicContact CD1-CD1 4.03Å; Y75-L136 HydrophobicContact CD2-CD1 4Å; Y75-L136 HydrophobicContact CE1-CD1 4.16Å; Y75-L136 HydrophobicContact CE1-CD2 4.32Å; Y75-L136 HydrophobicContact CE2-CB 4.08Å; Y75-L136 HydrophobicContact CE2-CD1 4.12Å; Y75-L136 HydrophobicContact CG-CD1 3.96Å; Y130-L136 HydrophobicContact CD1-CD1 4.35Å; Y130-L136 HydrophobicContact CE1-CD1 3.7Å; V131-L136 HydrophobicContact CG1-CB 4Å; V131-L136 WeakPolarHBondContact CG1-O 3.47Å; V131-L136 PolarHBondContact O-N 3.14Å; V131-L136 VanDerWaalsContact O-N 3.13Å; H134-L136 HydrophobicContact CB-CD1 3.91Å; H134-L136 HydrophobicContact CB-CG 3.9Å; H134-L136 PolarHBondContact O-N 2.97Å
137	D	92	Very high	93.4	Very high	56 Å²	56	51.9 Å²	51.9	30%	0.299	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-81.5	135.8	169.8	-87.2	-13.5	0	0	0	111	Y75 K141	Y75-D137 VanDerWaalsContact CE2-O 3.26Å; Y75-D137 WeakPolarHBondContact CE2-O 3.48Å; Y75-D137 PolarHBondContact OH-O 3.06Å; D137-K141 HydrophobicContact CB-CB 4.32Å; D137-K141 HydrophobicContact CB-CD 4.19Å; D137-K141 HydrophobicContact CB-CG 4.04Å; D137-K141 VanDerWaalsContact CG-CD 3.47Å; D137-K141 VanDerWaalsContact CG-CE 3.47Å; D137-K141 WeakPolarHBondContact OD1-CD 3.31Å; D137-K141 WeakPolarHBondContact OD1-CE 3.48Å; D137-K141 IonicContact OD1-NZ 2.87Å; D137-K141 PolarHBondContact OD1-NZ 3.45Å; D137-K141 WeakPolarHBondContact OD2-CD 3.24Å; D137-K141 WeakPolarHBondContact OD2-CE 3.49Å; D137-K141 WeakPolarHBondContact OD2-CG 3.29Å; D137-K141 IonicContact OD2-NZ 2.77Å; D137-K141 PolarHBondContact OD2-NZ 3.1Å; D137-K141 VanDerWaalsContact OD2-NZ 3.07Å
138	G	93.7	Very high	93.6	Very high	23 Å²	23	50.2 Å²	50.2	24%	0.237	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-59	148.5	174.7	0	0	0	0	0	112.2	D127 Y140 K141 M142	D127-G138 VanDerWaalsContact OD1-CA 3.29Å; D127-G138 WeakPolarHBondContact OD1-CA 3.29Å; G138-Y140 PolarHBondContact O-N 3.42Å; G138-K141 WeakPolarHBondContact O-CA 3.33Å; G138-K141 WeakPolarHBondContact O-CB 3.24Å; G138-K141 PolarHBondContact O-N 3.34Å; G138-M142 PolarHBondContact O-N 3.2Å
139	V	94.7	Very high	93.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-47.2	-43	-169.3	165.9	0	0	0	0	112.9	M116 I119 R120 L123 M126 D127 G143	M116-V139 HydrophobicContact CE-CG1 3.78Å; M116-V139 WeakPolarHBondContact CE-O 3.4Å; I119-V139 HydrophobicContact CG2-CG1 3.87Å; R120-V139 HydrophobicContact CB-CG1 4.32Å; L123-V139 HydrophobicContact CB-CG2 4.09Å; L123-V139 HydrophobicContact CD1-CG1 4.27Å; L123-V139 HydrophobicContact CD1-CG2 4.08Å; M126-V139 HydrophobicContact CE-CG2 3.36Å; D127-V139 WeakPolarHBondContact OD1-CG2 3.34Å; D127-V139 PolarHBondContact OD1-N 3.12Å; V139-G143 PolarHBondContact O-N 3.37Å
140	Y	94.5	Very high	93.8	Very high	71 Å²	71	44 Å²	44	28%	0.278	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-47.3	177	-169	-91.4	0	0	0	112.3	M116 G138 G143 M144	M116-Y140 HydrophobicContact CB-CD2 3.95Å; M116-Y140 HydrophobicContact CB-CE2 4.1Å; G138-Y140 PolarHBondContact O-N 3.42Å; Y140-G143 WeakPolarHBondContact O-CA 3.28Å; Y140-G143 PolarHBondContact O-N 3.01Å; Y140-G143 VanDerWaalsContact O-N 3.16Å; Y140-M144 HydrophobicContact CD1-CE 4.38Å; Y140-M144 HydrophobicContact CD1-CG 4.02Å; Y140-M144 HydrophobicContact CD1-SD 4.21Å; Y140-M144 HydrophobicContact CE1-CE 3.98Å; Y140-M144 HydrophobicContact CE1-CG 3.8Å; Y140-M144 HydrophobicContact CE1-SD 3.49Å; Y140-M144 WeakPolarHBondContact CE1-SD 3.35Å; Y140-M144 HydrophobicContact CE2-CE 4.12Å; Y140-M144 WeakPolarHBondContact O-CG 3.46Å; Y140-M144 PolarHBondContact O-N 3.37Å
141	K	94	Very high	94	Very high	82 Å²	82	42.4 Å²	42.4	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-45.4	178.1	176.1	170.1	179.1	-141.9	0	111.5	D137 G138 G143 M144 T145 A195	D137-K141 HydrophobicContact CB-CB 4.32Å; D137-K141 HydrophobicContact CB-CD 4.19Å; D137-K141 HydrophobicContact CB-CG 4.04Å; D137-K141 VanDerWaalsContact CG-CD 3.47Å; D137-K141 VanDerWaalsContact CG-CE 3.47Å; D137-K141 WeakPolarHBondContact OD1-CD 3.31Å; D137-K141 WeakPolarHBondContact OD1-CE 3.48Å; D137-K141 IonicContact OD1-NZ 2.87Å; D137-K141 PolarHBondContact OD1-NZ 3.45Å; D137-K141 WeakPolarHBondContact OD2-CD 3.24Å; D137-K141 WeakPolarHBondContact OD2-CE 3.49Å; D137-K141 WeakPolarHBondContact OD2-CG 3.29Å; D137-K141 IonicContact OD2-NZ 2.77Å; D137-K141 PolarHBondContact OD2-NZ 3.1Å; D137-K141 VanDerWaalsContact OD2-NZ 3.07Å; G138-K141 WeakPolarHBondContact O-CA 3.33Å; G138-K141 WeakPolarHBondContact O-CB 3.24Å; G138-K141 PolarHBondContact O-N 3.34Å; K141-G143 PolarHBondContact O-N 3.45Å; K141-M144 PolarHBondContact O-N 3.04Å; K141-T145 PolarHBondContact O-N 3.48Å; K141-T145 PolarHBondContact O-OG1 3.27Å; K141-A195 HydrophobicContact CB-CB 4.4Å; K141-A195 HydrophobicContact CD-CB 4.08Å; K141-A195 HydrophobicContact CG-CB 3.71Å
142	M	95.3	Very high	94.1	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-50.8	-46.3	170.5	178.5	-148.3	74.5	0	0	110.8	Y75 T78 E79 V82 M116 G138 M144 T145 V146	Y75-M142 HydrophobicContact CE1-SD 4.24Å; Y75-M142 HydrophobicContact CE2-SD 4.41Å; T78-M142 HydrophobicContact CG2-CE 4.21Å; E79-M142 HydrophobicContact CB-SD 3.68Å; E79-M142 HydrophobicContact CG-CG 4.06Å; E79-M142 HydrophobicContact CG-SD 3.83Å; V82-M142 HydrophobicContact CG2-CE 4.16Å; M116-M142 HydrophobicContact CE-CE 4.23Å; G138-M142 PolarHBondContact O-N 3.2Å; M142-M144 PolarHBondContact O-N 2.95Å; M142-T145 PolarHBondContact O-N 2.97Å; M142-V146 VanDerWaalsContact O-CG2 3.32Å; M142-V146 WeakPolarHBondContact O-CG2 3.32Å; M142-V146 PolarHBondContact O-N 3.11Å
143	G	95.5	Very high	94.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-40.2	174.2	0	0	0	0	0	114.3	H112 V139 Y140 K141 F147	H112-G143 PolarHBondContact NE2-O 2.9Å; V139-G143 PolarHBondContact O-N 3.37Å; Y140-G143 WeakPolarHBondContact O-CA 3.28Å; Y140-G143 PolarHBondContact O-N 3.01Å; Y140-G143 VanDerWaalsContact O-N 3.16Å; K141-G143 PolarHBondContact O-N 3.45Å; G143-F147 PolarHBondContact O-N 2.7Å
144	M	95.4	Very high	94.7	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-44.7	176.6	-54	-56.5	85.6	0	0	111	W109 M116 Y140 K141 M142 V146 F147 C148 L193 A195	W109-M144 HydrophobicContact CH2-CE 4.33Å; W109-M144 HydrophobicContact CH2-SD 3.35Å; W109-M144 WeakPolarHBondContact CH2-SD 3.38Å; W109-M144 HydrophobicContact CZ2-SD 4.17Å; W109-M144 HydrophobicContact CZ3-CE 4.4Å; W109-M144 HydrophobicContact CZ3-SD 3.97Å; M116-M144 HydrophobicContact CB-CE 4Å; M116-M144 HydrophobicContact CG-CE 4.04Å; Y140-M144 HydrophobicContact CD1-CE 4.38Å; Y140-M144 HydrophobicContact CD1-CG 4.02Å; Y140-M144 HydrophobicContact CD1-SD 4.21Å; Y140-M144 HydrophobicContact CE1-CE 3.98Å; Y140-M144 HydrophobicContact CE1-CG 3.8Å; Y140-M144 HydrophobicContact CE1-SD 3.49Å; Y140-M144 WeakPolarHBondContact CE1-SD 3.35Å; Y140-M144 HydrophobicContact CE2-CE 4.12Å; Y140-M144 WeakPolarHBondContact O-CG 3.46Å; Y140-M144 PolarHBondContact O-N 3.37Å; K141-M144 PolarHBondContact O-N 3.04Å; M142-M144 PolarHBondContact O-N 2.95Å; M144-V146 PolarHBondContact O-N 2.71Å; M144-F147 PolarHBondContact O-N 2.7Å; M144-C148 WeakPolarHBondContact O-CB 3.23Å; M144-C148 PolarHBondContact O-N 2.68Å; M144-L193 WeakPolarHBondContact O-CD2 3.28Å; M144-A195 HydrophobicContact CB-CB 4.32Å
145	T	93.7	Very high	94.9	Very high	44 Å²	44	40.2 Å²	40.2	27%	0.27	21%	0.209	S	C	.	.	H	α-helix	trans	-58.6	-45.8	176.3	-55.8	0	0	0	0	111.4	K141 M142 F147 C148 D149	K141-T145 PolarHBondContact O-N 3.48Å; K141-T145 PolarHBondContact O-OG1 3.27Å; M142-T145 PolarHBondContact O-N 2.97Å; T145-F147 PolarHBondContact O-N 3.31Å; T145-C148 WeakPolarHBondContact O-CB 3.41Å; T145-C148 PolarHBondContact O-N 2.93Å; T145-C148 VanDerWaalsContact O-N 3.17Å; T145-D149 PolarHBondContact O-N 3.14Å
146	V	95.6	Very high	95.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-35.9	179.4	176.5	0	0	0	0	112.3	E79 V82 R83 M86 M142 M144 L150	E79-V146 HydrophobicContact CG-CG2 4.38Å; V82-V146 HydrophobicContact CG1-CB 4.27Å; V82-V146 HydrophobicContact CG1-CG1 4.07Å; R83-V146 HydrophobicContact CB-CG1 4.34Å; R83-V146 HydrophobicContact CG-CG1 3.6Å; R83-V146 HydrophobicContact CG-CG2 4.06Å; M86-V146 HydrophobicContact CB-CG1 4.19Å; M86-V146 HydrophobicContact CG-CG1 3.99Å; M142-V146 VanDerWaalsContact O-CG2 3.32Å; M142-V146 WeakPolarHBondContact O-CG2 3.32Å; M142-V146 PolarHBondContact O-N 3.11Å; M144-V146 PolarHBondContact O-N 2.71Å; V146-L150 HydrophobicContact CG1-CD1 3.74Å; V146-L150 HydrophobicContact CG1-CG 4.22Å; V146-L150 VanDerWaalsContact O-CB 3.3Å; V146-L150 WeakPolarHBondContact O-CB 3.31Å; V146-L150 PolarHBondContact O-N 2.98Å
147	F	97	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-40.9	171.9	-167.2	-76.8	0	0	0	111.5	M86 L105 W109 H112 G143 M144 T145 V151 V152 M189 L193	M86-F147 HydrophobicContact CE-CD2 4.46Å; M86-F147 HydrophobicContact SD-CB 4.24Å; M86-F147 HydrophobicContact SD-CD2 3.42Å; M86-F147 WeakPolarHBondContact SD-CD2 3.48Å; M86-F147 HydrophobicContact SD-CE2 4.16Å; M86-F147 HydrophobicContact SD-CG 4.18Å; L105-F147 HydrophobicContact CD1-CE1 4.47Å; L105-F147 HydrophobicContact CD1-CZ 4.35Å; W109-F147 HydrophobicContact CB-CE1 4.44Å; W109-F147 HydrophobicContact CB-CZ 3.97Å; W109-F147 HydrophobicContact CD2-CE1 4.42Å; W109-F147 AromaticContact CE3-CD1 3.66Å; W109-F147 HydrophobicContact CE3-CD1 3.66Å; W109-F147 AromaticContact CE3-CD2 3.98Å; W109-F147 HydrophobicContact CE3-CD2 3.98Å; W109-F147 AromaticContact CE3-CE1 3.66Å; W109-F147 HydrophobicContact CE3-CE1 3.66Å; W109-F147 HydrophobicContact CE3-CE2 4.01Å; W109-F147 AromaticContact CE3-CG 3.83Å; W109-F147 HydrophobicContact CE3-CG 3.83Å; W109-F147 AromaticContact CE3-CZ 3.85Å; W109-F147 HydrophobicContact CE3-CZ 3.85Å; W109-F147 HydrophobicContact CZ3-CB 4.13Å; W109-F147 AromaticContact CZ3-CD1 3.85Å; W109-F147 HydrophobicContact CZ3-CD1 3.85Å; W109-F147 HydrophobicContact CZ3-CD2 4.32Å; W109-F147 HydrophobicContact CZ3-CE1 4.32Å; W109-F147 AromaticContact CZ3-CG 3.86Å; W109-F147 HydrophobicContact CZ3-CG 3.86Å; H112-F147 HydrophobicContact CB-CD2 3.83Å; H112-F147 HydrophobicContact CB-CE2 3.94Å; H112-F147 AromaticContact CD2-CD2 3.4Å; H112-F147 WeakPolarHBondContact CD2-CD2 3.35Å; H112-F147 AromaticContact CD2-CG 3.87Å; H112-F147 AromaticContact CG-CD2 3.62Å; G143-F147 PolarHBondContact O-N 2.7Å; M144-F147 PolarHBondContact O-N 2.7Å; T145-F147 PolarHBondContact O-N 3.31Å; F147-V151 HydrophobicContact CD1-CB 4.19Å; F147-V151 HydrophobicContact CD2-CG2 4.29Å; F147-V151 HydrophobicContact CE1-CB 4.22Å; F147-V151 HydrophobicContact CE1-CG1 4.23Å; F147-V151 HydrophobicContact CE2-CG2 4.47Å; F147-V151 HydrophobicContact CG-CB 4.43Å; F147-V151 HydrophobicContact CG-CG2 4.33Å; F147-V151 HydrophobicContact CZ-CB 4.48Å; F147-V151 HydrophobicContact CZ-CG1 4.22Å; F147-V151 WeakPolarHBondContact O-CA 3.28Å; F147-V151 VanDerWaalsContact O-CB 3.26Å; F147-V151 WeakPolarHBondContact O-CB 3.28Å; F147-V151 PolarHBondContact O-N 2.83Å; F147-V152 HydrophobicContact CD1-CG2 3.81Å; F147-V152 HydrophobicContact CE1-CG2 3.58Å; F147-V152 PolarHBondContact O-N 3.45Å; F147-V152 VanDerWaalsContact O-N 3.17Å; F147-M189 HydrophobicContact CE1-SD 4.34Å; F147-L193 HydrophobicContact CB-CD2 4.11Å; F147-L193 HydrophobicContact CD1-CD2 3.79Å; F147-L193 HydrophobicContact CG-CD2 4.33Å
148	C	95.6	Very high	95.4	Very high	4 Å²	4	36 Å²	36	3%	0.027	18%	0.178	C	C	.	.	I	π-helix	trans	-58.1	-54.4	176.7	-173.1	0	0	0	0	110.9	M144 T145 V152 R153 L193	M144-C148 WeakPolarHBondContact O-CB 3.23Å; M144-C148 PolarHBondContact O-N 2.68Å; T145-C148 WeakPolarHBondContact O-CB 3.41Å; T145-C148 PolarHBondContact O-N 2.93Å; T145-C148 VanDerWaalsContact O-N 3.17Å; C148-V152 PolarHBondContact O-N 2.91Å; C148-R153 WeakPolarHBondContact O-CB 3.5Å; C148-R153 WeakPolarHBondContact O-CG 3.29Å; C148-R153 PolarHBondContact O-N 2.92Å; C148-L193 HydrophobicContact CB-CB 4.35Å; C148-L193 HydrophobicContact CB-CD2 3.96Å
149	D	94.6	Very high	95.4	Very high	77 Å²	77	41 Å²	41	41%	0.412	20%	0.195	S	C	.	.	I	π-helix	trans	-77	-37.1	-171.6	-66	-20.9	0	0	0	113.4	T145	T145-D149 PolarHBondContact O-N 3.14Å
150	L	96.2	Very high	95.5	Very high	37 Å²	37	43.5 Å²	43.5	19%	0.194	21%	0.207	C	C	.	.	I	π-helix	trans	-92.4	-24.2	-176.6	-59.3	-172.9	0	0	0	114.4	R83 M86 I87 R90 V146	R83-L150 HydrophobicContact CB-CD1 3.99Å; R83-L150 HydrophobicContact CG-CD1 3.97Å; M86-L150 HydrophobicContact CB-CB 4.34Å; M86-L150 HydrophobicContact CB-CD1 4.22Å; I87-L150 HydrophobicContact CG1-CD1 4.32Å; R90-L150 WeakPolarHBondContact CD-O 3.47Å; R90-L150 WeakPolarHBondContact CG-O 3.46Å; V146-L150 HydrophobicContact CG1-CD1 3.74Å; V146-L150 HydrophobicContact CG1-CG 4.22Å; V146-L150 VanDerWaalsContact O-CB 3.3Å; V146-L150 WeakPolarHBondContact O-CB 3.31Å; V146-L150 PolarHBondContact O-N 2.98Å
151	V	96.7	Very high	95.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-110.2	-63	-178	-171.6	0	0	0	0	110.9	M86 R90 I93 L105 F147 Y154 I157	M86-V151 HydrophobicContact CB-CG2 4.33Å; M86-V151 HydrophobicContact SD-CG2 4.02Å; R90-V151 HydrophobicContact CB-CG2 4.33Å; I93-V151 HydrophobicContact CD1-CG1 3.48Å; I93-V151 VanDerWaalsContact CD1-CG1 3.48Å; L105-V151 HydrophobicContact CD1-CG1 4.34Å; F147-V151 HydrophobicContact CD1-CB 4.19Å; F147-V151 HydrophobicContact CD2-CG2 4.29Å; F147-V151 HydrophobicContact CE1-CB 4.22Å; F147-V151 HydrophobicContact CE1-CG1 4.23Å; F147-V151 HydrophobicContact CE2-CG2 4.47Å; F147-V151 HydrophobicContact CG-CB 4.43Å; F147-V151 HydrophobicContact CG-CG2 4.33Å; F147-V151 HydrophobicContact CZ-CB 4.48Å; F147-V151 HydrophobicContact CZ-CG1 4.22Å; F147-V151 WeakPolarHBondContact O-CA 3.28Å; F147-V151 VanDerWaalsContact O-CB 3.26Å; F147-V151 WeakPolarHBondContact O-CB 3.28Å; F147-V151 PolarHBondContact O-N 2.83Å; V151-Y154 WeakPolarHBondContact O-CB 3.49Å; V151-Y154 PolarHBondContact O-N 2.87Å; V151-I157 HydrophobicContact CG1-CD1 4.26Å; V151-I157 WeakPolarHBondContact O-CB 3.43Å; V151-I157 WeakPolarHBondContact O-CD1 3.32Å; V151-I157 WeakPolarHBondContact O-CG2 3.36Å
152	V	95.5	Very high	95.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.189	C	C	.	.	I	π-helix	trans	-76.4	-36.1	-168.4	174.5	0	0	0	0	113	F147 C148 R158 L161 M189 F190 L193	F147-V152 HydrophobicContact CD1-CG2 3.81Å; F147-V152 HydrophobicContact CE1-CG2 3.58Å; F147-V152 PolarHBondContact O-N 3.45Å; F147-V152 VanDerWaalsContact O-N 3.17Å; C148-V152 PolarHBondContact O-N 2.91Å; V152-R158 WeakPolarHBondContact O-CA 3.37Å; V152-R158 WeakPolarHBondContact O-CB 3.45Å; V152-L161 HydrophobicContact CG1-CD2 4.12Å; V152-M189 HydrophobicContact CG1-CE 4.4Å; V152-M189 HydrophobicContact CG2-CE 4Å; V152-M189 HydrophobicContact CG2-SD 4.26Å; V152-F190 HydrophobicContact CG1-CD1 4.13Å; V152-F190 HydrophobicContact CG1-CE1 3.62Å; V152-L193 HydrophobicContact CB-CD1 4.19Å; V152-L193 HydrophobicContact CG1-CD1 4.24Å; V152-L193 HydrophobicContact CG2-CD1 3.81Å
153	R	95.4	Very high	95.6	Very high	56 Å²	56	45.1 Å²	45.1	21%	0.211	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.3	176.4	-67.3	-174.5	164.4	-157	-11.5	113.6	C148 E203 D204	C148-R153 WeakPolarHBondContact O-CB 3.5Å; C148-R153 WeakPolarHBondContact O-CG 3.29Å; C148-R153 PolarHBondContact O-N 2.92Å; R153-E203 IonicContact CZ-OE2 3.32Å; R153-E203 IonicContact NH1-OE2 3.24Å; R153-E203 PolarHBondContact NH1-OE2 2.59Å; R153-E203 IonicContact NH2-OE2 2.74Å; R153-E203 PolarHBondContact NH2-OE2 2.76Å; R153-D204 IonicContact CZ-OD2 2.71Å; R153-D204 IonicContact NE-OD1 2.8Å; R153-D204 IonicContact NE-OD2 2.91Å; R153-D204 PolarHBondContact NE-OD2 3.15Å; R153-D204 IonicContact NH2-OD1 2.71Å; R153-D204 IonicContact NH2-OD2 2.75Å; R153-D204 PolarHBondContact NH2-OD2 2.93Å
154	Y	96.7	Very high	95.6	Very high	74 Å²	74	46.9 Å²	46.9	29%	0.29	23%	0.227	S	C	.	.	S	Bend	trans	-61.8	127.1	170.1	-177.1	-110	0	0	0	109.6	R90 V94 V151 I156 I157 R158	R90-Y154 HydrophobicContact CG-CD1 4.02Å; R90-Y154 HydrophobicContact CG-CG 4.01Å; V94-Y154 HydrophobicContact CG2-CD1 4.2Å; V94-Y154 HydrophobicContact CG2-CE1 3.93Å; V151-Y154 WeakPolarHBondContact O-CB 3.49Å; V151-Y154 PolarHBondContact O-N 2.87Å; Y154-I156 HydrophobicContact CD1-CB 4.39Å; Y154-I156 HydrophobicContact CE1-CB 4.16Å; Y154-I156 HydrophobicContact CE1-CD1 4.12Å; Y154-I156 HydrophobicContact CE1-CG1 4.15Å; Y154-I156 PolarHBondContact O-N 3.18Å; Y154-I156 VanDerWaalsContact O-N 3.1Å; Y154-I157 HydrophobicContact CD1-CD1 4.17Å; Y154-I157 HydrophobicContact CD1-CG1 4.18Å; Y154-I157 PolarHBondContact O-N 3.24Å; Y154-R158 PolarHBondContact O-N 2.96Å
155	P	95.3	Very high	95.5	Very high	91 Å²	91	46.7 Å²	46.7	59%	0.591	23%	0.226	S	C	*	.	H	α-helix	trans	-52.4	-45.5	-160.5	-32.1	36.2	0	0	0	115.5	R158 E159	P155-R158 PolarHBondContact O-N 2.89Å; P155-E159 WeakPolarHBondContact O-CB 3.46Å; P155-E159 PolarHBondContact O-N 2.89Å
156	I	95.8	Very high	95.6	Very high	83 Å²	83	45.5 Å²	45.5	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-66.2	-42.2	-178.3	-53.6	177.7	0	0	0	111.2	L97 Y154 H160	L97-I156 HydrophobicContact CD1-CG2 3.66Å; Y154-I156 HydrophobicContact CD1-CB 4.39Å; Y154-I156 HydrophobicContact CE1-CB 4.16Å; Y154-I156 HydrophobicContact CE1-CD1 4.12Å; Y154-I156 HydrophobicContact CE1-CG1 4.15Å; Y154-I156 PolarHBondContact O-N 3.18Å; Y154-I156 VanDerWaalsContact O-N 3.1Å; I156-H160 VanDerWaalsContact O-CB 3.26Å; I156-H160 WeakPolarHBondContact O-CB 3.3Å; I156-H160 PolarHBondContact O-N 2.89Å; I156-H160 VanDerWaalsContact O-N 3.09Å
157	I	96	Very high	95.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-42.5	178.2	-66.7	171.4	0	0	0	109.8	R90 I93 V94 F101 V151 Y154 H160 L161	R90-I157 HydrophobicContact CG-CD1 3.93Å; I93-I157 HydrophobicContact CB-CD1 4.1Å; I93-I157 HydrophobicContact CG2-CD1 3.7Å; I93-I157 HydrophobicContact CG2-CG1 4.06Å; V94-I157 HydrophobicContact CG2-CD1 4.01Å; V94-I157 HydrophobicContact CG2-CG1 4.03Å; F101-I157 HydrophobicContact CE2-CG2 4.36Å; F101-I157 HydrophobicContact CZ-CG2 4.19Å; V151-I157 HydrophobicContact CG1-CD1 4.26Å; V151-I157 WeakPolarHBondContact O-CB 3.43Å; V151-I157 WeakPolarHBondContact O-CD1 3.32Å; V151-I157 WeakPolarHBondContact O-CG2 3.36Å; Y154-I157 HydrophobicContact CD1-CD1 4.17Å; Y154-I157 HydrophobicContact CD1-CG1 4.18Å; Y154-I157 PolarHBondContact O-N 3.24Å; I157-H160 PolarHBondContact O-N 3.32Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 PolarHBondContact O-N 3.48Å
158	R	95.5	Very high	95.5	Very high	103 Å²	103	49.4 Å²	49.4	39%	0.389	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-51.9	179.2	-167.9	-175	-175.1	-130.5	-1.7	111.7	V152 Y154 P155 Q162 D204	V152-R158 WeakPolarHBondContact O-CA 3.37Å; V152-R158 WeakPolarHBondContact O-CB 3.45Å; Y154-R158 PolarHBondContact O-N 2.96Å; P155-R158 PolarHBondContact O-N 2.89Å; R158-Q162 VanDerWaalsContact O-CB 3.29Å; R158-Q162 WeakPolarHBondContact O-CB 3.23Å; R158-Q162 PolarHBondContact O-N 3.4Å; R158-D204 IonicContact CZ-OD1 3.05Å; R158-D204 IonicContact NE-OD1 2.72Å; R158-D204 PolarHBondContact NE-OD1 3.17Å; R158-D204 IonicContact NH2-OD1 3.22Å; R158-D204 PolarHBondContact NH2-OD1 2.85Å
159	E	95.3	Very high	95.5	Very high	128 Å²	128	49.3 Å²	49.3	60%	0.598	24%	0.238	S	C	*	.	H	α-helix	trans	-62.1	-48.9	178.7	-170.1	-163.8	145.2	0	0	111	P155 Q162 K163	P155-E159 WeakPolarHBondContact O-CB 3.46Å; P155-E159 PolarHBondContact O-N 2.89Å; E159-Q162 PolarHBondContact O-N 3.46Å; E159-K163 WeakPolarHBondContact O-CB 3.07Å; E159-K163 PolarHBondContact O-N 2.95Å
160	H	95.6	Very high	95.5	Very high	53 Å²	53	49.3 Å²	49.3	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-46.7	-178.4	-165.5	105.9	0	0	0	111.5	L97 F101 I156 I157 Q162 K163 T164	L97-H160 HydrophobicContact CD2-CB 3.92Å; L97-H160 PolarHBondContact O-NE2 3.06Å; F101-H160 AromaticContact CD1-CD2 3.71Å; F101-H160 AromaticContact CE1-CD2 3.83Å; I156-H160 VanDerWaalsContact O-CB 3.26Å; I156-H160 WeakPolarHBondContact O-CB 3.3Å; I156-H160 PolarHBondContact O-N 2.89Å; I156-H160 VanDerWaalsContact O-N 3.09Å; I157-H160 PolarHBondContact O-N 3.32Å; H160-Q162 PolarHBondContact O-N 2.94Å; H160-K163 PolarHBondContact O-N 3.24Å; H160-T164 PolarHBondContact CD2-OG1 2.85Å; H160-T164 VanDerWaalsContact CD2-OG1 3.26Å; H160-T164 PolarHBondContact NE2-OG1 3.28Å; H160-T164 PolarHBondContact O-N 2.72Å; H160-T164 PolarHBondContact O-OG1 2.95Å
161	L	95.5	Very high	95.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-49.4	178.1	178.9	59.1	0	0	0	112.3	F101 L102 L105 V152 I157 T164 L165 M189 F190	F101-L161 HydrophobicContact CE1-CB 4Å; F101-L161 HydrophobicContact CE1-CD1 3.94Å; F101-L161 HydrophobicContact CZ-CB 4.02Å; F101-L161 HydrophobicContact CZ-CD1 4.36Å; L102-L161 HydrophobicContact CD2-CD1 3.42Å; L102-L161 VanDerWaalsContact CD2-CD1 3.42Å; L105-L161 HydrophobicContact CD2-CD1 3.91Å; L105-L161 HydrophobicContact CD2-CD2 3.97Å; V152-L161 HydrophobicContact CG1-CD2 4.12Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 PolarHBondContact O-N 3.48Å; L161-T164 PolarHBondContact O-N 2.76Å; L161-L165 HydrophobicContact CD1-CD1 3.78Å; L161-L165 HydrophobicContact CD1-CG 4.14Å; L161-L165 HydrophobicContact CG-CD1 4.06Å; L161-L165 VanDerWaalsContact O-CG 3.27Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 3.4Å; L161-M189 HydrophobicContact CD2-CE 3.95Å; L161-F190 HydrophobicContact CD2-CE1 3.84Å; L161-F190 HydrophobicContact CD2-CE2 4.34Å; L161-F190 HydrophobicContact CD2-CZ 3.44Å; L161-F190 VanDerWaalsContact CD2-CZ 3.44Å; L161-F190 HydrophobicContact CG-CZ 3.92Å
162	Q	95.2	Very high	95.4	Very high	53 Å²	53	52.7 Å²	52.7	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-49	177.1	-173.1	175	98.8	0	0	110.5	R158 E159 H160 T164 L165 L166 D204 P208	R158-Q162 VanDerWaalsContact O-CB 3.29Å; R158-Q162 WeakPolarHBondContact O-CB 3.23Å; R158-Q162 PolarHBondContact O-N 3.4Å; E159-Q162 PolarHBondContact O-N 3.46Å; H160-Q162 PolarHBondContact O-N 2.94Å; Q162-T164 PolarHBondContact O-N 2.89Å; Q162-L165 PolarHBondContact O-N 3.43Å; Q162-L166 HydrophobicContact CG-CD1 3.85Å; Q162-L166 HydrophobicContact CG-CG 4.47Å; Q162-L166 WeakPolarHBondContact O-CB 3.48Å; Q162-L166 WeakPolarHBondContact O-CG 3.36Å; Q162-L166 PolarHBondContact O-N 2.69Å; Q162-D204 PolarHBondContact NE2-O 2.72Å; Q162-P208 HydrophobicContact CG-CB 3.99Å; Q162-P208 HydrophobicContact CG-CG 4.25Å
163	K	95.2	Very high	95.3	Very high	139 Å²	139	52.7 Å²	52.7	60%	0.604	24%	0.243	S	C	*	.	H	α-helix	trans	-60.2	-44.4	178.7	-172.9	173.3	-176.7	172.2	0	113	E159 H160 D167	E159-K163 WeakPolarHBondContact O-CB 3.07Å; E159-K163 PolarHBondContact O-N 2.95Å; H160-K163 PolarHBondContact O-N 3.24Å; K163-D167 VanDerWaalsContact O-CB 3.3Å; K163-D167 WeakPolarHBondContact O-CB 3.42Å; K163-D167 PolarHBondContact O-N 2.89Å
164	T	95	Very high	95.2	Very high	36 Å²	36	58.3 Å²	58.3	22%	0.221	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-47.6	178.1	-51.5	0	0	0	0	111.7	L102 H160 L161 Q162 D167 M168	L102-T164 HydrophobicContact CD1-CG2 3.85Å; L102-T164 HydrophobicContact CD2-CG2 4.47Å; L102-T164 HydrophobicContact CG-CG2 4.12Å; H160-T164 PolarHBondContact CD2-OG1 2.85Å; H160-T164 VanDerWaalsContact CD2-OG1 3.26Å; H160-T164 PolarHBondContact NE2-OG1 3.28Å; H160-T164 PolarHBondContact O-N 2.72Å; H160-T164 PolarHBondContact O-OG1 2.95Å; L161-T164 PolarHBondContact O-N 2.76Å; Q162-T164 PolarHBondContact O-N 2.89Å; T164-D167 PolarHBondContact O-N 3.3Å; T164-M168 HydrophobicContact CG2-SD 4.35Å; T164-M168 WeakPolarHBondContact O-CG 3.38Å; T164-M168 PolarHBondContact O-N 3.39Å
165	L	95.3	Very high	94.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-42.7	-178.3	-67.3	171.6	0	0	0	111.6	L102 L161 Q162 M168 V169 I183 A186 F190 F205	L102-L165 HydrophobicContact CD1-CD2 4.08Å; L102-L165 HydrophobicContact CD2-CD2 4.3Å; L161-L165 HydrophobicContact CD1-CD1 3.78Å; L161-L165 HydrophobicContact CD1-CG 4.14Å; L161-L165 HydrophobicContact CG-CD1 4.06Å; L161-L165 VanDerWaalsContact O-CG 3.27Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 3.4Å; Q162-L165 PolarHBondContact O-N 3.43Å; L165-M168 PolarHBondContact O-N 3.19Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 2.87Å; L165-V169 VanDerWaalsContact O-N 3.14Å; L165-I183 HydrophobicContact CD2-CB 4.47Å; L165-I183 HydrophobicContact CD2-CG1 4.23Å; L165-A186 HydrophobicContact CD1-CB 3.92Å; L165-A186 HydrophobicContact CD2-CB 3.85Å; L165-F190 HydrophobicContact CD1-CE2 3.79Å; L165-F190 HydrophobicContact CD1-CZ 4.39Å; L165-F205 HydrophobicContact CB-CD2 4.36Å; L165-F205 HydrophobicContact CB-CE2 4.03Å; L165-F205 HydrophobicContact CD1-CD2 4.03Å; L165-F205 HydrophobicContact CD1-CE2 4.34Å
166	L	95.8	Very high	94.9	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-35.8	177.4	-67	-179.7	0	0	0	112.6	Q162 R170 P208 F209 Q212	Q162-L166 HydrophobicContact CG-CD1 3.85Å; Q162-L166 HydrophobicContact CG-CG 4.47Å; Q162-L166 WeakPolarHBondContact O-CB 3.48Å; Q162-L166 WeakPolarHBondContact O-CG 3.36Å; Q162-L166 PolarHBondContact O-N 2.69Å; L166-R170 WeakPolarHBondContact O-CB 3.4Å; L166-R170 PolarHBondContact O-N 2.72Å; L166-P208 HydrophobicContact CD1-CB 3.89Å; L166-F209 VanDerWaalsContact CD2-CA 3.48Å; L166-F209 HydrophobicContact CD2-CB 3.87Å; L166-F209 HydrophobicContact CD2-CD2 4.5Å; L166-Q212 HydrophobicContact CD2-CB 4.39Å; L166-Q212 PolarHBondContact O-NE2 3.34Å
167	D	95.2	Very high	94.6	Very high	70 Å²	70	60.2 Å²	60.2	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-44.5	172.8	-176.9	66.2	0	0	0	111.7	K163 T164 V169 R170 R171	K163-D167 VanDerWaalsContact O-CB 3.3Å; K163-D167 WeakPolarHBondContact O-CB 3.42Å; K163-D167 PolarHBondContact O-N 2.89Å; T164-D167 PolarHBondContact O-N 3.3Å; D167-V169 VanDerWaalsContact C-N 3.33Å; D167-V169 PolarHBondContact O-N 2.99Å; D167-R170 PolarHBondContact O-N 3.21Å; D167-R170 VanDerWaalsContact O-N 3.12Å; D167-R171 WeakPolarHBondContact O-CB 3.41Å; D167-R171 VanDerWaalsContact O-CG 3.27Å; D167-R171 WeakPolarHBondContact O-CG 3.14Å; D167-R171 PolarHBondContact O-N 3.25Å; D167-R171 WeakPolarHBondContact OD2-CD 3.47Å; D167-R171 IonicContact OD2-NH1 3.18Å
168	M	94.8	Very high	94.3	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.064	30%	0.298	C	S	.	.	H	α-helix	trans	-57.4	-44.1	175.5	-69.9	174.5	73.9	0	0	112.1	L102 T164 L165 R171 E172 I178 S179 Q182 I183	L102-M168 HydrophobicContact CD1-SD 3.6Å; T164-M168 HydrophobicContact CG2-SD 4.35Å; T164-M168 WeakPolarHBondContact O-CG 3.38Å; T164-M168 PolarHBondContact O-N 3.39Å; L165-M168 PolarHBondContact O-N 3.19Å; M168-R171 PolarHBondContact O-N 3.5Å; M168-E172 PolarHBondContact O-N 2.99Å; M168-I178 HydrophobicContact CB-CD1 4.34Å; M168-I178 HydrophobicContact CB-CG2 4.44Å; M168-I178 HydrophobicContact CE-CB 4.28Å; M168-S179 WeakPolarHBondContact CE-O 3.18Å; M168-Q182 HydrophobicContact CE-CB 4.21Å; M168-I183 HydrophobicContact CB-CD1 3.9Å; M168-I183 HydrophobicContact CB-CG1 4.34Å; M168-I183 HydrophobicContact CE-CD1 4.45Å; M168-I183 HydrophobicContact CE-CG1 4Å; M168-I183 HydrophobicContact SD-CG1 4.27Å
169	V	95.2	Very high	94	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-49.2	173.4	168.9	0	0	0	0	111.3	L165 D167 R171 E172 R173 I183 F209	L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 2.87Å; L165-V169 VanDerWaalsContact O-N 3.14Å; D167-V169 VanDerWaalsContact C-N 3.33Å; D167-V169 PolarHBondContact O-N 2.99Å; V169-R171 VanDerWaalsContact C-N 3.28Å; V169-R171 PolarHBondContact O-N 3.48Å; V169-E172 PolarHBondContact O-N 3.31Å; V169-R173 VanDerWaalsContact CG1-CZ 3.49Å; V169-R173 WeakPolarHBondContact O-CG 3.26Å; V169-R173 PolarHBondContact O-N 3.35Å; V169-I183 HydrophobicContact CG2-CD1 4.04Å; V169-F209 HydrophobicContact CG1-CD2 4.23Å; V169-F209 HydrophobicContact CG1-CE2 3.82Å; V169-F209 HydrophobicContact CG2-CD2 4.29Å; V169-F209 HydrophobicContact CG2-CE2 4.21Å
170	R	95.2	Very high	93.8	Very high	76 Å²	76	58.6 Å²	58.6	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-35.5	-179.4	175.5	175.7	-77	-175.8	-9.2	112.5	L166 D167 E215 F216	L166-R170 WeakPolarHBondContact O-CB 3.4Å; L166-R170 PolarHBondContact O-N 2.72Å; D167-R170 PolarHBondContact O-N 3.21Å; D167-R170 VanDerWaalsContact O-N 3.12Å; R170-E215 IonicContact CZ-OE2 2.91Å; R170-E215 IonicContact NH2-OE2 2.94Å; R170-E215 PolarHBondContact NH2-OE2 2.93Å; R170-F216 HydrophobicContact CG-CD2 4.48Å
171	R	94.8	Very high	93.6	Very high	89 Å²	89	58.8 Å²	58.8	34%	0.336	30%	0.298	S	S	.	.	H	α-helix	trans	-74	-40.7	176.7	-70.6	175.3	58.8	-149.7	-9.2	112.3	D167 M168 V169 R173 R174 G175 E176 I178	D167-R171 WeakPolarHBondContact O-CB 3.41Å; D167-R171 VanDerWaalsContact O-CG 3.27Å; D167-R171 WeakPolarHBondContact O-CG 3.14Å; D167-R171 PolarHBondContact O-N 3.25Å; D167-R171 WeakPolarHBondContact OD2-CD 3.47Å; D167-R171 IonicContact OD2-NH1 3.18Å; M168-R171 PolarHBondContact O-N 3.5Å; V169-R171 VanDerWaalsContact C-N 3.28Å; V169-R171 PolarHBondContact O-N 3.48Å; R171-R173 VanDerWaalsContact C-N 3.31Å; R171-R173 PolarHBondContact O-N 2.9Å; R171-R174 WeakPolarHBondContact O-CA 3.38Å; R171-R174 WeakPolarHBondContact O-CB 3.29Å; R171-R174 PolarHBondContact O-N 3.36Å; R171-G175 PolarHBondContact O-N 2.99Å; R171-E176 HydrophobicContact CB-CB 4.16Å; R171-E176 HydrophobicContact CB-CG 4.38Å; R171-E176 WeakPolarHBondContact CB-OE1 3.27Å; R171-E176 VanDerWaalsContact CG-OE1 3.31Å; R171-E176 WeakPolarHBondContact CG-OE1 3.34Å; R171-E176 IonicContact CZ-OE2 2.61Å; R171-E176 IonicContact NE-OE1 3.94Å; R171-E176 PolarHBondContact NE-OE1 3.01Å; R171-E176 IonicContact NE-OE2 3.47Å; R171-E176 PolarHBondContact NE-OE2 3.16Å; R171-E176 IonicContact NH2-OE2 2.68Å; R171-E176 PolarHBondContact NH2-OE2 2.95Å; R171-E176 WeakPolarHBondContact O-CB 3.47Å; R171-E176 PolarHBondContact O-N 3.46Å; R171-E176 VanDerWaalsContact O-N 3.12Å; R171-I178 HydrophobicContact CB-CG2 4.46Å
172	E	94.7	Very high	93.4	Very high	19 Å²	19	61.1 Å²	61.1	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-36.6	173.4	-162.4	-169.2	-136	0	0	112.3	M168 V169 R174 G175 I178 R180 R248	M168-E172 PolarHBondContact O-N 2.99Å; V169-E172 PolarHBondContact O-N 3.31Å; E172-R174 PolarHBondContact O-N 3.34Å; E172-G175 PolarHBondContact O-N 3.44Å; E172-I178 HydrophobicContact CB-CD1 3.81Å; E172-I178 HydrophobicContact CB-CG1 3.93Å; E172-I178 HydrophobicContact CB-CG2 4.39Å; E172-I178 HydrophobicContact CG-CD1 4.14Å; E172-I178 HydrophobicContact CG-CG1 3.98Å; E172-R180 IonicContact OE1-CZ 3.77Å; E172-R180 IonicContact OE1-NE 2.7Å; E172-R180 PolarHBondContact OE1-NE 2.67Å; E172-R180 IonicContact OE1-NH2 2.81Å; E172-R180 PolarHBondContact OE1-NH2 3.06Å; E172-R248 IonicContact OE2-CZ 2.73Å; E172-R248 VanDerWaalsContact OE2-CZ 3.24Å; E172-R248 IonicContact OE2-NE 2.89Å; E172-R248 PolarHBondContact OE2-NE 3.41Å; E172-R248 IonicContact OE2-NH2 3.11Å; E172-R248 PolarHBondContact OE2-NH2 2.77Å
173	R	94.6	Very high	93.3	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	172.7	-71.5	173.5	173.1	146.4	4.5	113.5	V169 R171 S213 F216 R241 E245	V169-R173 VanDerWaalsContact CG1-CZ 3.49Å; V169-R173 WeakPolarHBondContact O-CG 3.26Å; V169-R173 PolarHBondContact O-N 3.35Å; R171-R173 VanDerWaalsContact C-N 3.31Å; R171-R173 PolarHBondContact O-N 2.9Å; R173-S213 PolarHBondContact NH1-OG 2.86Å; R173-S213 VanDerWaalsContact NH1-OG 3.15Å; R173-S213 PolarHBondContact NH2-OG 3.23Å; R173-F216 HydrophobicContact CB-CE1 3.97Å; R173-F216 HydrophobicContact CB-CE2 3.95Å; R173-F216 HydrophobicContact CB-CZ 3.55Å; R173-F216 HydrophobicContact CG-CE1 4.34Å; R173-F216 HydrophobicContact CG-CZ 4.36Å; R173-R241 PolarHBondContact O-NH1 3.26Å; R173-R241 PolarHBondContact O-NH2 2.97Å; R173-E245 IonicContact CZ-OE1 2.92Å; R173-E245 IonicContact NE-OE1 3.88Å; R173-E245 PolarHBondContact NE-OE1 3.41Å; R173-E245 IonicContact NH2-OE1 3.7Å; R173-E245 PolarHBondContact NH2-OE1 3.28Å; R173-E245 IonicContact NH2-OE2 2.82Å
174	R	93	Very high	93.3	Very high	174 Å²	174	57.7 Å²	57.7	66%	0.657	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.5	172.8	-61.4	179.6	-170.3	-75.7	0.9	113.5	R171 E172	R171-R174 WeakPolarHBondContact O-CA 3.38Å; R171-R174 WeakPolarHBondContact O-CB 3.29Å; R171-R174 PolarHBondContact O-N 3.36Å; E172-R174 PolarHBondContact O-N 3.34Å
175	G	90.9	Very high	93.2	Very high	66 Å²	66	57.5 Å²	57.5	68%	0.68	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	8.4	-179.3	0	0	0	0	0	115	R171 E172	R171-G175 PolarHBondContact O-N 2.99Å; E172-G175 PolarHBondContact O-N 3.44Å
176	E	93.7	Very high	93.2	Very high	78 Å²	78	58 Å²	58	36%	0.364	29%	0.291	S	S	.	.			trans	-73.6	144.4	176.4	-64.4	-178.2	-119.6	0	0	112.5	R171 I178	R171-E176 HydrophobicContact CB-CB 4.16Å; R171-E176 HydrophobicContact CB-CG 4.38Å; R171-E176 WeakPolarHBondContact CB-OE1 3.27Å; R171-E176 VanDerWaalsContact CG-OE1 3.31Å; R171-E176 WeakPolarHBondContact CG-OE1 3.34Å; R171-E176 IonicContact CZ-OE2 2.61Å; R171-E176 IonicContact NE-OE1 3.94Å; R171-E176 PolarHBondContact NE-OE1 3.01Å; R171-E176 IonicContact NE-OE2 3.47Å; R171-E176 PolarHBondContact NE-OE2 3.16Å; R171-E176 IonicContact NH2-OE2 2.68Å; R171-E176 PolarHBondContact NH2-OE2 2.95Å; R171-E176 WeakPolarHBondContact O-CB 3.47Å; R171-E176 PolarHBondContact O-N 3.46Å; R171-E176 VanDerWaalsContact O-N 3.12Å; E176-I178 PolarHBondContact O-N 2.99Å
177	V	90	Very high	93.2	Very high	144 Å²	144	57.2 Å²	57.2	87%	0.873	29%	0.288	S	S	*	.			trans	-76.9	117.5	175.1	-178.5	0	0	0	0	110
178	I	91	Very high	93.1	Very high	22 Å²	22	58.8 Å²	58.8	11%	0.113	29%	0.293	C	S	.	.			trans	-114.8	158.1	178.2	60.9	154.1	0	0	0	112.5	M168 R171 E172 E176 R180 I183	M168-I178 HydrophobicContact CB-CD1 4.34Å; M168-I178 HydrophobicContact CB-CG2 4.44Å; M168-I178 HydrophobicContact CE-CB 4.28Å; R171-I178 HydrophobicContact CB-CG2 4.46Å; E172-I178 HydrophobicContact CB-CD1 3.81Å; E172-I178 HydrophobicContact CB-CG1 3.93Å; E172-I178 HydrophobicContact CB-CG2 4.39Å; E172-I178 HydrophobicContact CG-CD1 4.14Å; E172-I178 HydrophobicContact CG-CG1 3.98Å; E176-I178 PolarHBondContact O-N 2.99Å; I178-R180 VanDerWaalsContact C-N 3.28Å; I178-R180 HydrophobicContact CG1-CG 4.28Å; I178-R180 PolarHBondContact O-N 3.38Å; I178-I183 HydrophobicContact CD1-CD1 3.53Å
179	S	88.5	Confident	93.2	Very high	52 Å²	52	58.3 Å²	58.3	36%	0.364	29%	0.291	S	S	.	.			trans	-76.7	80.6	172.9	-166.6	0	0	0	0	110.9	M168 S181 Q182	M168-S179 WeakPolarHBondContact CE-O 3.18Å; S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 VanDerWaalsContact O-N 3.08Å; S179-Q182 VanDerWaalsContact CB-OE1 3.28Å; S179-Q182 WeakPolarHBondContact O-CB 3.39Å; S179-Q182 PolarHBondContact O-N 2.98Å
180	R	90.1	Very high	93.2	Very high	124 Å²	124	58.4 Å²	58.4	47%	0.468	29%	0.291	S	S	.	.	H	α-helix	trans	-47.4	-33.9	-180	-80.2	-172.5	169.5	178.6	-0.5	115	E172 I178 R184 H252	E172-R180 IonicContact OE1-CZ 3.77Å; E172-R180 IonicContact OE1-NE 2.7Å; E172-R180 PolarHBondContact OE1-NE 2.67Å; E172-R180 IonicContact OE1-NH2 2.81Å; E172-R180 PolarHBondContact OE1-NH2 3.06Å; I178-R180 VanDerWaalsContact C-N 3.28Å; I178-R180 HydrophobicContact CG1-CG 4.28Å; I178-R180 PolarHBondContact O-N 3.38Å; R180-R184 PolarHBondContact O-N 3Å; R180-H252 WeakPolarHBondContact CB-CE1 3.37Å; R180-H252 WeakPolarHBondContact CD-NE2 3.22Å; R180-H252 VanDerWaalsContact CG-CE1 3.49Å; R180-H252 WeakPolarHBondContact CG-CE1 3.46Å; R180-H252 WeakPolarHBondContact CG-NE2 3.33Å; R180-H252 PolarHBondContact O-ND1 3.47Å
181	S	91.2	Very high	93.2	Very high	56 Å²	56	57 Å²	57	39%	0.392	29%	0.291	S	S	.	.	H	α-helix	trans	-68.4	-31.8	176.6	50.2	0	0	0	0	113.4	S179 R184 D185	S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 VanDerWaalsContact O-N 3.08Å; S181-R184 PolarHBondContact O-N 3.21Å; S181-D185 VanDerWaalsContact O-CB 3.29Å; S181-D185 WeakPolarHBondContact O-CB 3.35Å; S181-D185 PolarHBondContact O-N 3.02Å; S181-D185 VanDerWaalsContact O-OD1 3.11Å
182	Q	92.1	Very high	93.1	Very high	51 Å²	51	56.1 Å²	56.1	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-38	179.5	-73	176.8	-36.9	0	0	112.2	L102 T103 M168 S179 A186	L102-Q182 HydrophobicContact CB-CB 4.35Å; L102-Q182 HydrophobicContact CB-CG 4.36Å; L102-Q182 HydrophobicContact CD1-CB 3.96Å; T103-Q182 PolarHBondContact OG1-NE2 3.39Å; M168-Q182 HydrophobicContact CE-CB 4.21Å; S179-Q182 VanDerWaalsContact CB-OE1 3.28Å; S179-Q182 WeakPolarHBondContact O-CB 3.39Å; S179-Q182 PolarHBondContact O-N 2.98Å; Q182-A186 WeakPolarHBondContact O-CB 3.27Å; Q182-A186 PolarHBondContact O-N 3.11Å; Q182-A186 VanDerWaalsContact O-N 3.12Å
183	I	93.7	Very high	93.1	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-53	174.2	-59.1	-179.1	0	0	0	109.5	L165 M168 V169 I178 D185 A186 C187 H252 L253	L165-I183 HydrophobicContact CD2-CB 4.47Å; L165-I183 HydrophobicContact CD2-CG1 4.23Å; M168-I183 HydrophobicContact CB-CD1 3.9Å; M168-I183 HydrophobicContact CB-CG1 4.34Å; M168-I183 HydrophobicContact CE-CD1 4.45Å; M168-I183 HydrophobicContact CE-CG1 4Å; M168-I183 HydrophobicContact SD-CG1 4.27Å; V169-I183 HydrophobicContact CG2-CD1 4.04Å; I178-I183 HydrophobicContact CD1-CD1 3.53Å; I183-D185 PolarHBondContact O-N 3.07Å; I183-A186 PolarHBondContact O-N 3.2Å; I183-A186 VanDerWaalsContact O-N 3.14Å; I183-C187 PolarHBondContact O-N 2.97Å; I183-C187 PolarHBondContact O-SG 2.9Å; I183-H252 HydrophobicContact CG2-CB 4.08Å; I183-L253 HydrophobicContact CG2-CD2 4.42Å
184	R	94.3	Very high	92.7	Very high	117 Å²	117	56 Å²	56	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-56.7	-47.5	179.7	-175.2	-157	62.8	-161.3	-4.7	112.7	R180 S181 A186 C187 Q188	R180-R184 PolarHBondContact O-N 3Å; S181-R184 PolarHBondContact O-N 3.21Å; R184-A186 VanDerWaalsContact C-N 3.29Å; R184-A186 PolarHBondContact O-N 3.49Å; R184-C187 PolarHBondContact O-N 3.13Å; R184-Q188 WeakPolarHBondContact O-CB 3.4Å; R184-Q188 PolarHBondContact O-N 3.46Å
185	D	93.9	Very high	92.3	Very high	32 Å²	32	49.3 Å²	49.3	17%	0.171	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-33.3	179.8	-79.4	36	0	0	0	111.7	K110 S181 I183 M189	K110-D185 IonicContact NZ-OD2 2.78Å; K110-D185 PolarHBondContact NZ-OD2 3.26Å; S181-D185 VanDerWaalsContact O-CB 3.29Å; S181-D185 WeakPolarHBondContact O-CB 3.35Å; S181-D185 PolarHBondContact O-N 3.02Å; S181-D185 VanDerWaalsContact O-OD1 3.11Å; I183-D185 PolarHBondContact O-N 3.07Å; D185-M189 WeakPolarHBondContact O-CB 3.49Å; D185-M189 PolarHBondContact O-N 3.49Å
186	A	94.7	Very high	91.8	Very high	10 Å²	10	50.5 Å²	50.5	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-74.8	-41.2	174.1	0	0	0	0	0	112.8	L165 Q182 I183 R184 Q188 M189 F190	L165-A186 HydrophobicContact CD1-CB 3.92Å; L165-A186 HydrophobicContact CD2-CB 3.85Å; Q182-A186 WeakPolarHBondContact O-CB 3.27Å; Q182-A186 PolarHBondContact O-N 3.11Å; Q182-A186 VanDerWaalsContact O-N 3.12Å; I183-A186 PolarHBondContact O-N 3.2Å; I183-A186 VanDerWaalsContact O-N 3.14Å; R184-A186 VanDerWaalsContact C-N 3.29Å; R184-A186 PolarHBondContact O-N 3.49Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; A186-Q188 PolarHBondContact O-N 3.37Å; A186-M189 WeakPolarHBondContact O-CB 3.35Å; A186-M189 PolarHBondContact O-N 2.83Å; A186-F190 WeakPolarHBondContact O-CD2 3.5Å; A186-F190 PolarHBondContact O-N 2.87Å
187	C	95.1	Very high	91.7	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.027	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-45.1	172.5	-67.3	0	0	0	0	111	I183 R184 M189 F190 V191 Y201 H252	I183-C187 PolarHBondContact O-N 2.97Å; I183-C187 PolarHBondContact O-SG 2.9Å; R184-C187 PolarHBondContact O-N 3.13Å; C187-M189 VanDerWaalsContact C-N 3.34Å; C187-M189 PolarHBondContact O-N 2.98Å; C187-F190 PolarHBondContact O-N 3.3Å; C187-V191 WeakPolarHBondContact O-CG2 3.36Å; C187-V191 PolarHBondContact O-N 3.33Å; C187-Y201 HydrophobicContact CB-CD2 4.42Å; C187-Y201 HydrophobicContact CB-CE2 3.93Å; C187-H252 WeakPolarHBondContact CB-O 3.31Å
188	Q	94.3	Very high	91.8	Very high	102 Å²	102	45.7 Å²	45.7	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-38.2	175.8	-170	174.5	24.2	0	0	112.3	R184 A186 V191 Q192	R184-Q188 WeakPolarHBondContact O-CB 3.4Å; R184-Q188 PolarHBondContact O-N 3.46Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; A186-Q188 PolarHBondContact O-N 3.37Å; Q188-V191 PolarHBondContact O-N 2.68Å; Q188-Q192 WeakPolarHBondContact O-CB 3.47Å; Q188-Q192 WeakPolarHBondContact O-CG 3.48Å; Q188-Q192 PolarHBondContact O-N 3.43Å
189	M	95.7	Very high	91.9	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-50.1	171.3	176.1	-170.7	75.2	0	0	111.3	L105 W109 F147 V152 L161 D185 A186 C187 V191 Q192 L193	L105-M189 HydrophobicContact CD2-CE 4.14Å; L105-M189 HydrophobicContact CD2-SD 4.48Å; L105-M189 HydrophobicContact CG-SD 4.28Å; W109-M189 HydrophobicContact CB-CG 4.49Å; W109-M189 HydrophobicContact CB-SD 4.16Å; W109-M189 HydrophobicContact CD2-CG 3.79Å; W109-M189 HydrophobicContact CD2-SD 4.44Å; W109-M189 HydrophobicContact CE3-CG 4.49Å; W109-M189 HydrophobicContact CG-CB 4.36Å; W109-M189 HydrophobicContact CG-CG 3.77Å; W109-M189 HydrophobicContact CG-SD 4.07Å; W109-M189 HydrophobicContact CZ2-CG 4.36Å; F147-M189 HydrophobicContact CE1-SD 4.34Å; V152-M189 HydrophobicContact CG1-CE 4.4Å; V152-M189 HydrophobicContact CG2-CE 4Å; V152-M189 HydrophobicContact CG2-SD 4.26Å; L161-M189 HydrophobicContact CD2-CE 3.95Å; D185-M189 WeakPolarHBondContact O-CB 3.49Å; D185-M189 PolarHBondContact O-N 3.49Å; A186-M189 WeakPolarHBondContact O-CB 3.35Å; A186-M189 PolarHBondContact O-N 2.83Å; C187-M189 VanDerWaalsContact C-N 3.34Å; C187-M189 PolarHBondContact O-N 2.98Å; M189-V191 VanDerWaalsContact C-N 3.34Å; M189-V191 PolarHBondContact O-N 3.01Å; M189-Q192 PolarHBondContact O-N 3.29Å; M189-L193 HydrophobicContact CE-CD1 4.41Å; M189-L193 HydrophobicContact CG-CD1 3.71Å; M189-L193 HydrophobicContact CG-CG 4.23Å; M189-L193 WeakPolarHBondContact O-CB 3.5Å; M189-L193 VanDerWaalsContact O-CG 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.44Å; M189-L193 PolarHBondContact O-N 2.72Å; M189-L193 HydrophobicContact SD-CD1 4.39Å
190	F	95.6	Very high	92.2	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-41.1	178.2	-68.8	-59.5	0	0	0	112.9	V152 L161 L165 A186 C187 L193 G194 V200 Y201 D204 F205	V152-F190 HydrophobicContact CG1-CD1 4.13Å; V152-F190 HydrophobicContact CG1-CE1 3.62Å; L161-F190 HydrophobicContact CD2-CE1 3.84Å; L161-F190 HydrophobicContact CD2-CE2 4.34Å; L161-F190 HydrophobicContact CD2-CZ 3.44Å; L161-F190 VanDerWaalsContact CD2-CZ 3.44Å; L161-F190 HydrophobicContact CG-CZ 3.92Å; L165-F190 HydrophobicContact CD1-CE2 3.79Å; L165-F190 HydrophobicContact CD1-CZ 4.39Å; A186-F190 WeakPolarHBondContact O-CD2 3.5Å; A186-F190 PolarHBondContact O-N 2.87Å; C187-F190 PolarHBondContact O-N 3.3Å; F190-L193 PolarHBondContact O-N 2.72Å; F190-G194 PolarHBondContact O-N 2.89Å; F190-V200 HydrophobicContact CB-CG1 4.35Å; F190-V200 HydrophobicContact CD1-CG1 3.96Å; F190-Y201 HydrophobicContact CB-CD2 4.19Å; F190-D204 HydrophobicContact CD1-CB 4.27Å; F190-D204 HydrophobicContact CE1-CB 3.87Å; F190-D204 HydrophobicContact CZ-CB 4.42Å; F190-F205 HydrophobicContact CD2-CB 3.88Å; F190-F205 HydrophobicContact CD2-CG 4.46Å; F190-F205 HydrophobicContact CE2-CB 3.76Å; F190-F205 HydrophobicContact CE2-CD2 4.38Å; F190-F205 HydrophobicContact CE2-CG 4.31Å; F190-F205 HydrophobicContact CZ-CB 4.44Å
191	V	94.7	Very high	92.5	Very high	46 Å²	46	43.2 Å²	43.2	28%	0.279	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-42.2	175.8	172.3	0	0	0	0	111.2	C187 Q188 M189 L198 Y201 D254	C187-V191 WeakPolarHBondContact O-CG2 3.36Å; C187-V191 PolarHBondContact O-N 3.33Å; Q188-V191 PolarHBondContact O-N 2.68Å; M189-V191 VanDerWaalsContact C-N 3.34Å; M189-V191 PolarHBondContact O-N 3.01Å; V191-L198 HydrophobicContact CB-CD2 4.38Å; V191-L198 HydrophobicContact CG1-CD2 3.97Å; V191-L198 HydrophobicContact CG2-CD2 3.8Å; V191-Y201 HydrophobicContact CG2-CD2 3.88Å; V191-Y201 HydrophobicContact CG2-CG 3.86Å; V191-D254 HydrophobicContact CG2-CB 4.48Å
192	Q	93.7	Very high	92.7	Very high	70 Å²	70	43 Å²	43	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-71.7	-35.9	179.4	-72	170.5	-14.2	0	0	113.1	W109 Q188 M189 G194 A195	W109-Q192 HydrophobicContact CZ2-CB 3.75Å; Q188-Q192 WeakPolarHBondContact O-CB 3.47Å; Q188-Q192 WeakPolarHBondContact O-CG 3.48Å; Q188-Q192 PolarHBondContact O-N 3.43Å; M189-Q192 PolarHBondContact O-N 3.29Å; Q192-G194 VanDerWaalsContact C-N 3.26Å; Q192-G194 PolarHBondContact O-N 2.73Å; Q192-A195 PolarHBondContact O-N 3.46Å
193	L	93.9	Very high	92.9	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-30.9	177.2	-76.8	167.6	0	0	0	113	W109 M144 F147 C148 V152 M189 F190 A195 V200	W109-L193 HydrophobicContact CE3-CD2 4.21Å; W109-L193 HydrophobicContact CH2-CD2 3.38Å; W109-L193 HydrophobicContact CH2-CG 3.72Å; W109-L193 HydrophobicContact CZ2-CD2 4.3Å; W109-L193 HydrophobicContact CZ2-CG 4.18Å; W109-L193 HydrophobicContact CZ3-CD2 3.35Å; W109-L193 HydrophobicContact CZ3-CG 4.07Å; M144-L193 WeakPolarHBondContact O-CD2 3.28Å; F147-L193 HydrophobicContact CB-CD2 4.11Å; F147-L193 HydrophobicContact CD1-CD2 3.79Å; F147-L193 HydrophobicContact CG-CD2 4.33Å; C148-L193 HydrophobicContact CB-CB 4.35Å; C148-L193 HydrophobicContact CB-CD2 3.96Å; V152-L193 HydrophobicContact CB-CD1 4.19Å; V152-L193 HydrophobicContact CG1-CD1 4.24Å; V152-L193 HydrophobicContact CG2-CD1 3.81Å; M189-L193 HydrophobicContact CE-CD1 4.41Å; M189-L193 HydrophobicContact CG-CD1 3.71Å; M189-L193 HydrophobicContact CG-CG 4.23Å; M189-L193 WeakPolarHBondContact O-CB 3.5Å; M189-L193 VanDerWaalsContact O-CG 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.44Å; M189-L193 PolarHBondContact O-N 2.72Å; M189-L193 HydrophobicContact SD-CD1 4.39Å; F190-L193 PolarHBondContact O-N 2.72Å; L193-A195 PolarHBondContact O-N 3.35Å; L193-V200 HydrophobicContact CB-CG1 4.06Å
194	G	86.5	Confident	92.9	Very high	14 Å²	14	44.1 Å²	44.1	14%	0.144	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.6	173.3	0	0	0	0	0	114.8	F190 Q192 G196 S197	F190-G194 PolarHBondContact O-N 2.89Å; Q192-G194 VanDerWaalsContact C-N 3.26Å; Q192-G194 PolarHBondContact O-N 2.73Å; G194-G196 PolarHBondContact O-N 2.93Å; G194-G196 VanDerWaalsContact O-N 3.15Å; G194-S197 CarbonylContact C-O 3.6Å; G194-S197 VanDerWaalsContact CA-O 3.24Å; G194-S197 WeakPolarHBondContact CA-O 3.39Å; G194-S197 PolarHBondContact O-N 3.48Å
195	A	83.7	Confident	93	Very high	34 Å²	34	38.6 Å²	38.6	28%	0.281	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	48.5	165.2	0	0	0	0	0	115.5	K141 M144 Q192 L193	K141-A195 HydrophobicContact CB-CB 4.4Å; K141-A195 HydrophobicContact CD-CB 4.08Å; K141-A195 HydrophobicContact CG-CB 3.71Å; M144-A195 HydrophobicContact CB-CB 4.32Å; Q192-A195 PolarHBondContact O-N 3.46Å; L193-A195 PolarHBondContact O-N 3.35Å
196	G	81.7	Confident	93.1	Very high	90 Å²	90	37.4 Å²	37.4	93%	0.928	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	108.8	-7.3	-176	0	0	0	0	0	114.2	G194	G194-G196 PolarHBondContact O-N 2.93Å; G194-G196 VanDerWaalsContact O-N 3.15Å
197	S	90.4	Very high	93.2	Very high	64 Å²	64	43.1 Å²	43.1	45%	0.448	24%	0.243	S	C	.	.			trans	-120.4	147.2	169.9	-175.8	0	0	0	0	110.9	G194 R199	G194-S197 CarbonylContact C-O 3.6Å; G194-S197 VanDerWaalsContact CA-O 3.24Å; G194-S197 WeakPolarHBondContact CA-O 3.39Å; G194-S197 PolarHBondContact O-N 3.48Å; S197-R199 PolarHBondContact O-N 3.05Å; S197-R199 WeakPolarHBondContact OG-CB 3.45Å; S197-R199 PolarHBondContact OG-N 2.94Å
198	L	93.1	Very high	93.3	Very high	57 Å²	57	44.1 Å²	44.1	30%	0.298	25%	0.25	S	C	.	.	S	Bend	trans	-78.2	-4.6	170	-79.5	168.5	0	0	0	113.4	V191 V200 Y201 L202	V191-L198 HydrophobicContact CB-CD2 4.38Å; V191-L198 HydrophobicContact CG1-CD2 3.97Å; V191-L198 HydrophobicContact CG2-CD2 3.8Å; L198-V200 VanDerWaalsContact C-N 3.29Å; L198-V200 PolarHBondContact O-N 2.9Å; L198-V200 VanDerWaalsContact O-N 3.08Å; L198-Y201 HydrophobicContact CD2-CD1 4.4Å; L198-Y201 WeakPolarHBondContact O-CB 3.25Å; L198-Y201 PolarHBondContact O-N 2.97Å; L198-L202 HydrophobicContact CB-CD1 4.03Å; L198-L202 HydrophobicContact CB-CG 4.09Å; L198-L202 WeakPolarHBondContact O-CG 3.16Å; L198-L202 PolarHBondContact O-N 3.33Å
199	R	93.9	Very high	93.5	Very high	141 Å²	141	39.3 Å²	39.3	53%	0.532	23%	0.227	S	C	.	.	H	α-helix	trans	-47.5	-45.3	-169.6	-174.2	-179.7	72.5	173	0.6	114.4	S197 L202 E203	S197-R199 PolarHBondContact O-N 3.05Å; S197-R199 WeakPolarHBondContact OG-CB 3.45Å; S197-R199 PolarHBondContact OG-N 2.94Å; R199-L202 PolarHBondContact O-N 3.26Å; R199-E203 WeakPolarHBondContact CD-OE1 2.97Å; R199-E203 HydrophobicContact CG-CG 4.04Å; R199-E203 WeakPolarHBondContact CG-OE1 3.24Å; R199-E203 WeakPolarHBondContact O-CB 3.39Å; R199-E203 WeakPolarHBondContact O-CG 3.22Å; R199-E203 PolarHBondContact O-N 2.68Å
200	V	94.1	Very high	93.6	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-45.7	-179.5	176.8	0	0	0	0	111.2	F190 L193 L198 L202 D204	F190-V200 HydrophobicContact CB-CG1 4.35Å; F190-V200 HydrophobicContact CD1-CG1 3.96Å; L193-V200 HydrophobicContact CB-CG1 4.06Å; L198-V200 VanDerWaalsContact C-N 3.29Å; L198-V200 PolarHBondContact O-N 2.9Å; L198-V200 VanDerWaalsContact O-N 3.08Å; V200-L202 PolarHBondContact O-N 3.08Å; V200-D204 VanDerWaalsContact O-CB 3.3Å; V200-D204 WeakPolarHBondContact O-CB 3.47Å; V200-D204 PolarHBondContact O-N 2.9Å
201	Y	96.3	Very high	93.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-41.2	174.1	174.1	-95.2	0	0	0	112.6	C187 F190 V191 L198 F205 E206 D254 T257	C187-Y201 HydrophobicContact CB-CD2 4.42Å; C187-Y201 HydrophobicContact CB-CE2 3.93Å; F190-Y201 HydrophobicContact CB-CD2 4.19Å; V191-Y201 HydrophobicContact CG2-CD2 3.88Å; V191-Y201 HydrophobicContact CG2-CG 3.86Å; L198-Y201 HydrophobicContact CD2-CD1 4.4Å; L198-Y201 WeakPolarHBondContact O-CB 3.25Å; L198-Y201 PolarHBondContact O-N 2.97Å; Y201-F205 HydrophobicContact CD2-CD1 4.19Å; Y201-F205 AromaticContact CE2-CD1 3.58Å; Y201-F205 HydrophobicContact CE2-CD1 3.58Å; Y201-F205 HydrophobicContact CE2-CE1 4.12Å; Y201-F205 HydrophobicContact CE2-CG 4.49Å; Y201-F205 AromaticContact CZ-CD1 3.96Å; Y201-F205 PolarHBondContact O-N 3.08Å; Y201-E206 HydrophobicContact CD1-CB 4.24Å; Y201-E206 HydrophobicContact CE1-CB 3.88Å; Y201-E206 HydrophobicContact CE1-CG 4.12Å; Y201-E206 PolarHBondContact O-N 2.85Å; Y201-D254 HydrophobicContact CD1-CB 4.1Å; Y201-D254 HydrophobicContact CE1-CB 3.48Å; Y201-D254 VanDerWaalsContact CE1-CB 3.48Å; Y201-D254 HydrophobicContact CE2-CB 4.24Å; Y201-D254 PolarHBondContact OH-N 3.32Å; Y201-D254 VanDerWaalsContact OH-N 3.09Å; Y201-T257 WeakPolarHBondContact CE1-OG1 3.44Å; Y201-T257 PolarHBondContact OH-OG1 3.29Å
202	L	96	Very high	93.8	Very high	51 Å²	51	43.7 Å²	43.7	27%	0.267	25%	0.245	S	C	.	.	I	π-helix	trans	-67	-47.3	-179.8	-60.8	172.5	0	0	0	112.5	L198 R199 V200 E206 Q207	L198-L202 HydrophobicContact CB-CD1 4.03Å; L198-L202 HydrophobicContact CB-CG 4.09Å; L198-L202 WeakPolarHBondContact O-CG 3.16Å; L198-L202 PolarHBondContact O-N 3.33Å; R199-L202 PolarHBondContact O-N 3.26Å; V200-L202 PolarHBondContact O-N 3.08Å; L202-E206 HydrophobicContact CD2-CB 4.39Å; L202-E206 WeakPolarHBondContact CD2-OE2 3.09Å; L202-Q207 PolarHBondContact O-N 2.9Å; L202-Q207 VanDerWaalsContact O-N 3.08Å
203	E	95.1	Very high	94	Very high	74 Å²	74	40.3 Å²	40.3	35%	0.346	23%	0.229	S	C	.	.	I	π-helix	trans	-76.9	-41.7	-175.9	-70.5	173.9	176.2	0	0	113.4	R153 R199	R153-E203 IonicContact CZ-OE2 3.32Å; R153-E203 IonicContact NH1-OE2 3.24Å; R153-E203 PolarHBondContact NH1-OE2 2.59Å; R153-E203 IonicContact NH2-OE2 2.74Å; R153-E203 PolarHBondContact NH2-OE2 2.76Å; R199-E203 WeakPolarHBondContact CD-OE1 2.97Å; R199-E203 HydrophobicContact CG-CG 4.04Å; R199-E203 WeakPolarHBondContact CG-OE1 3.24Å; R199-E203 WeakPolarHBondContact O-CB 3.39Å; R199-E203 WeakPolarHBondContact O-CG 3.22Å; R199-E203 PolarHBondContact O-N 2.68Å
204	D	93.8	Very high	94.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.011	24%	0.239	C	C	.	.	I	π-helix	trans	-94.4	-18.3	-170.9	-63.2	-52.4	0	0	0	113.7	R153 R158 Q162 F190 V200	R153-D204 IonicContact CZ-OD2 2.71Å; R153-D204 IonicContact NE-OD1 2.8Å; R153-D204 IonicContact NE-OD2 2.91Å; R153-D204 PolarHBondContact NE-OD2 3.15Å; R153-D204 IonicContact NH2-OD1 2.71Å; R153-D204 IonicContact NH2-OD2 2.75Å; R153-D204 PolarHBondContact NH2-OD2 2.93Å; R158-D204 IonicContact CZ-OD1 3.05Å; R158-D204 IonicContact NE-OD1 2.72Å; R158-D204 PolarHBondContact NE-OD1 3.17Å; R158-D204 IonicContact NH2-OD1 3.22Å; R158-D204 PolarHBondContact NH2-OD1 2.85Å; Q162-D204 PolarHBondContact NE2-O 2.72Å; F190-D204 HydrophobicContact CD1-CB 4.27Å; F190-D204 HydrophobicContact CE1-CB 3.87Å; F190-D204 HydrophobicContact CZ-CB 4.42Å; V200-D204 VanDerWaalsContact O-CB 3.3Å; V200-D204 WeakPolarHBondContact O-CB 3.47Å; V200-D204 PolarHBondContact O-N 2.9Å
205	F	95.9	Very high	94.7	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	26%	0.257	C	S	.	.	I	π-helix	trans	-131.5	-54.6	-179.5	177.2	-94.4	0	0	0	114.7	L165 F190 Y201 P208 F209 L253	L165-F205 HydrophobicContact CB-CD2 4.36Å; L165-F205 HydrophobicContact CB-CE2 4.03Å; L165-F205 HydrophobicContact CD1-CD2 4.03Å; L165-F205 HydrophobicContact CD1-CE2 4.34Å; F190-F205 HydrophobicContact CD2-CB 3.88Å; F190-F205 HydrophobicContact CD2-CG 4.46Å; F190-F205 HydrophobicContact CE2-CB 3.76Å; F190-F205 HydrophobicContact CE2-CD2 4.38Å; F190-F205 HydrophobicContact CE2-CG 4.31Å; F190-F205 HydrophobicContact CZ-CB 4.44Å; Y201-F205 HydrophobicContact CD2-CD1 4.19Å; Y201-F205 AromaticContact CE2-CD1 3.58Å; Y201-F205 HydrophobicContact CE2-CD1 3.58Å; Y201-F205 HydrophobicContact CE2-CE1 4.12Å; Y201-F205 HydrophobicContact CE2-CG 4.49Å; Y201-F205 AromaticContact CZ-CD1 3.96Å; Y201-F205 PolarHBondContact O-N 3.08Å; F205-P208 WeakPolarHBondContact O-CD 3.35Å; F205-F209 HydrophobicContact CD1-CB 4.47Å; F205-F209 HydrophobicContact CE1-CB 3.98Å; F205-F209 HydrophobicContact CE1-CG 4.15Å; F205-F209 HydrophobicContact CE2-CB 4.4Å; F205-F209 HydrophobicContact CZ-CB 3.95Å; F205-F209 HydrophobicContact CZ-CD2 4.05Å; F205-F209 HydrophobicContact CZ-CG 4.08Å; F205-F209 VanDerWaalsContact O-CB 3.29Å; F205-F209 WeakPolarHBondContact O-CB 3.36Å; F205-F209 PolarHBondContact O-N 3Å; F205-L253 HydrophobicContact CE1-CD2 3.72Å; F205-L253 HydrophobicContact CZ-CD2 3.84Å
206	E	96.9	Very high	95.4	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.037	25%	0.247	C	C	.	.	I	π-helix	trans	-66.4	-48.2	-166.3	-164.6	-168.6	-117.4	0	0	113.2	Y201 L202 F209 L210 T257 K260	Y201-E206 HydrophobicContact CD1-CB 4.24Å; Y201-E206 HydrophobicContact CE1-CB 3.88Å; Y201-E206 HydrophobicContact CE1-CG 4.12Å; Y201-E206 PolarHBondContact O-N 2.85Å; L202-E206 HydrophobicContact CD2-CB 4.39Å; L202-E206 WeakPolarHBondContact CD2-OE2 3.09Å; E206-F209 WeakPolarHBondContact O-CB 3.45Å; E206-F209 PolarHBondContact O-N 2.97Å; E206-L210 HydrophobicContact CG-CD1 4.02Å; E206-L210 HydrophobicContact CG-CG 4.32Å; E206-L210 WeakPolarHBondContact O-CG 3.32Å; E206-L210 PolarHBondContact O-N 3.08Å; E206-T257 HydrophobicContact CG-CG2 3.88Å; E206-T257 VanDerWaalsContact OE1-CA 3.31Å; E206-T257 WeakPolarHBondContact OE1-CA 3.23Å; E206-T257 VanDerWaalsContact OE1-CB 3.31Å; E206-T257 WeakPolarHBondContact OE1-CB 3.42Å; E206-T257 PolarHBondContact OE1-OG1 3.46Å; E206-K260 WeakPolarHBondContact OE1-CD 3.43Å; E206-K260 IonicContact OE1-NZ 3.8Å; E206-K260 PolarHBondContact OE1-NZ 3.17Å; E206-K260 VanDerWaalsContact OE2-CD 3.3Å; E206-K260 WeakPolarHBondContact OE2-CD 3.45Å; E206-K260 WeakPolarHBondContact OE2-CE 3.48Å; E206-K260 IonicContact OE2-NZ 2.89Å; E206-K260 PolarHBondContact OE2-NZ 3.2Å
207	Q	97.3	Very high	96.1	Very high	130 Å²	130	42.5 Å²	42.5	61%	0.607	20%	0.203	S	C	*	.	H	α-helix	trans	-58.9	-50.4	176.2	-75.8	-177.9	-3.9	0	0	112.2	L202 F209 L210 E211	L202-Q207 PolarHBondContact O-N 2.9Å; L202-Q207 VanDerWaalsContact O-N 3.08Å; Q207-F209 VanDerWaalsContact C-N 3.29Å; Q207-F209 PolarHBondContact O-N 3.49Å; Q207-L210 PolarHBondContact O-N 3.27Å; Q207-E211 PolarHBondContact O-N 3.07Å
208	P	97.1	Very high	96.5	Very high	25 Å²	25	43 Å²	43	16%	0.162	20%	0.195	C	C	.	.	H	α-helix	trans	-53.2	-40.7	170.3	-25.6	29	0	0	0	114.5	Q162 L166 F205 Q212	Q162-P208 HydrophobicContact CG-CB 3.99Å; Q162-P208 HydrophobicContact CG-CG 4.25Å; L166-P208 HydrophobicContact CD1-CB 3.89Å; F205-P208 WeakPolarHBondContact O-CD 3.35Å; P208-Q212 VanDerWaalsContact O-CB 3.32Å; P208-Q212 WeakPolarHBondContact O-CB 3.21Å; P208-Q212 PolarHBondContact O-N 3.1Å
209	F	97.4	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-45.9	177.5	164.5	-95.1	0	0	0	111.9	L166 V169 F205 E206 Q207 S213 L253 T257 I261	L166-F209 VanDerWaalsContact CD2-CA 3.48Å; L166-F209 HydrophobicContact CD2-CB 3.87Å; L166-F209 HydrophobicContact CD2-CD2 4.5Å; V169-F209 HydrophobicContact CG1-CD2 4.23Å; V169-F209 HydrophobicContact CG1-CE2 3.82Å; V169-F209 HydrophobicContact CG2-CD2 4.29Å; V169-F209 HydrophobicContact CG2-CE2 4.21Å; F205-F209 HydrophobicContact CD1-CB 4.47Å; F205-F209 HydrophobicContact CE1-CB 3.98Å; F205-F209 HydrophobicContact CE1-CG 4.15Å; F205-F209 HydrophobicContact CE2-CB 4.4Å; F205-F209 HydrophobicContact CZ-CB 3.95Å; F205-F209 HydrophobicContact CZ-CD2 4.05Å; F205-F209 HydrophobicContact CZ-CG 4.08Å; F205-F209 VanDerWaalsContact O-CB 3.29Å; F205-F209 WeakPolarHBondContact O-CB 3.36Å; F205-F209 PolarHBondContact O-N 3Å; E206-F209 WeakPolarHBondContact O-CB 3.45Å; E206-F209 PolarHBondContact O-N 2.97Å; Q207-F209 VanDerWaalsContact C-N 3.29Å; Q207-F209 PolarHBondContact O-N 3.49Å; F209-S213 VanDerWaalsContact O-CB 3.28Å; F209-S213 WeakPolarHBondContact O-CB 3.3Å; F209-S213 PolarHBondContact O-N 2.97Å; F209-S213 PolarHBondContact O-OG 2.87Å; F209-L253 HydrophobicContact CD1-CD1 4.39Å; F209-L253 HydrophobicContact CE1-CD1 3.71Å; F209-L253 HydrophobicContact CE2-CD1 4.12Å; F209-L253 HydrophobicContact CZ-CD1 3.56Å; F209-T257 HydrophobicContact CD1-CG2 4.03Å; F209-T257 HydrophobicContact CE1-CG2 3.79Å; F209-I261 HydrophobicContact CE1-CB 4.11Å; F209-I261 HydrophobicContact CE1-CD1 4Å; F209-I261 HydrophobicContact CE1-CG1 4.09Å; F209-I261 HydrophobicContact CZ-CD1 4.1Å; F209-I261 HydrophobicContact CZ-CG1 4.12Å
210	L	98.2	Very high	96.7	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.12	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-39.9	178.2	-68	171.7	0	0	0	111.4	E206 Q207 S213 R214 K260 I261 V264	E206-L210 HydrophobicContact CG-CD1 4.02Å; E206-L210 HydrophobicContact CG-CG 4.32Å; E206-L210 WeakPolarHBondContact O-CG 3.32Å; E206-L210 PolarHBondContact O-N 3.08Å; Q207-L210 PolarHBondContact O-N 3.27Å; L210-S213 WeakPolarHBondContact O-CB 3.33Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-R214 PolarHBondContact O-N 3.22Å; L210-K260 HydrophobicContact CD1-CB 3.85Å; L210-K260 HydrophobicContact CD1-CD 4.13Å; L210-K260 HydrophobicContact CD2-CB 3.99Å; L210-I261 HydrophobicContact CD2-CB 4.06Å; L210-I261 HydrophobicContact CD2-CD1 4.28Å; L210-V264 HydrophobicContact CD2-CG2 4.22Å
211	E	97.7	Very high	96.7	Very high	105 Å²	105	38 Å²	38	49%	0.491	18%	0.182	S	C	.	.	H	α-helix	trans	-66.1	-47.1	176.6	-162.2	61.3	-112	0	0	112.1	Q207 S213 R214 E215	Q207-E211 PolarHBondContact O-N 3.07Å; E211-S213 PolarHBondContact O-N 2.71Å; E211-R214 WeakPolarHBondContact O-CB 3.45Å; E211-R214 PolarHBondContact O-N 3.33Å; E211-R214 VanDerWaalsContact O-N 3.11Å; E211-R214 IonicContact OE1-CZ 3.59Å; E211-R214 IonicContact OE1-NH1 2.75Å; E211-R214 PolarHBondContact OE1-NH1 3.22Å; E211-R214 IonicContact OE2-CZ 3.61Å; E211-R214 IonicContact OE2-NH1 3.54Å; E211-R214 PolarHBondContact OE2-NH1 2.91Å; E211-E215 PolarHBondContact O-N 3.05Å
212	Q	97.1	Very high	96.7	Very high	18 Å²	18	42.8 Å²	42.8	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-28.6	176.2	-163.5	-126.5	47.5	0	0	112.4	L166 P208 F216	L166-Q212 HydrophobicContact CD2-CB 4.39Å; L166-Q212 PolarHBondContact O-NE2 3.34Å; P208-Q212 VanDerWaalsContact O-CB 3.32Å; P208-Q212 WeakPolarHBondContact O-CB 3.21Å; P208-Q212 PolarHBondContact O-N 3.1Å; Q212-F216 VanDerWaalsContact O-CB 3.28Å; Q212-F216 WeakPolarHBondContact O-CB 3.37Å; Q212-F216 PolarHBondContact O-N 3.3Å
213	S	97.8	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.4	-39.9	173.2	-55.9	0	0	0	0	112	R173 F209 L210 E211 F216 Y217 I261	R173-S213 PolarHBondContact NH1-OG 2.86Å; R173-S213 VanDerWaalsContact NH1-OG 3.15Å; R173-S213 PolarHBondContact NH2-OG 3.23Å; F209-S213 VanDerWaalsContact O-CB 3.28Å; F209-S213 WeakPolarHBondContact O-CB 3.3Å; F209-S213 PolarHBondContact O-N 2.97Å; F209-S213 PolarHBondContact O-OG 2.87Å; L210-S213 WeakPolarHBondContact O-CB 3.33Å; L210-S213 PolarHBondContact O-N 3.14Å; E211-S213 PolarHBondContact O-N 2.71Å; S213-F216 PolarHBondContact O-N 2.87Å; S213-Y217 VanDerWaalsContact O-CD2 3.31Å; S213-Y217 WeakPolarHBondContact O-CD2 3.43Å; S213-Y217 PolarHBondContact O-N 3.36Å; S213-I261 VanDerWaalsContact CB-CD1 3.41Å; S213-I261 WeakPolarHBondContact OG-CD1 3.17Å
214	R	98.3	Very high	96.4	Very high	57 Å²	57	43.1 Å²	43.1	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-48.4	174.7	-165.2	-172.6	-69.8	108.3	-2.9	110.9	L210 E211 F216 Y217 R218 V264 E267 E268	L210-R214 PolarHBondContact O-N 3.22Å; E211-R214 WeakPolarHBondContact O-CB 3.45Å; E211-R214 PolarHBondContact O-N 3.33Å; E211-R214 VanDerWaalsContact O-N 3.11Å; E211-R214 IonicContact OE1-CZ 3.59Å; E211-R214 IonicContact OE1-NH1 2.75Å; E211-R214 PolarHBondContact OE1-NH1 3.22Å; E211-R214 IonicContact OE2-CZ 3.61Å; E211-R214 IonicContact OE2-NH1 3.54Å; E211-R214 PolarHBondContact OE2-NH1 2.91Å; R214-F216 PolarHBondContact O-N 3.39Å; R214-Y217 PolarHBondContact O-N 2.98Å; R214-R218 VanDerWaalsContact CD-NH2 3.33Å; R214-R218 VanDerWaalsContact O-CB 3.28Å; R214-R218 WeakPolarHBondContact O-CB 3.06Å; R214-R218 PolarHBondContact O-N 2.99Å; R214-V264 HydrophobicContact CB-CG1 3.84Å; R214-V264 HydrophobicContact CG-CG1 4.26Å; R214-E267 IonicContact NE-OE2 2.72Å; R214-E268 VanDerWaalsContact CD-OE1 3.24Å; R214-E268 WeakPolarHBondContact CD-OE1 3.38Å; R214-E268 HydrophobicContact CG-CG 3.57Å; R214-E268 WeakPolarHBondContact CG-OE1 3.35Å
215	E	97.5	Very high	96.2	Very high	111 Å²	111	44.4 Å²	44.4	52%	0.519	21%	0.214	S	C	.	.	H	α-helix	trans	-56.1	-48	173.4	-176.6	-170.4	-127.4	0	0	111.7	R170 E211 S219	R170-E215 IonicContact CZ-OE2 2.91Å; R170-E215 IonicContact NH2-OE2 2.94Å; R170-E215 PolarHBondContact NH2-OE2 2.93Å; E211-E215 PolarHBondContact O-N 3.05Å; E215-S219 PolarHBondContact O-N 3.36Å
216	F	97.4	Very high	96	Very high	20 Å²	20	47.9 Å²	47.9	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-49.3	-179.1	-178.6	-83.5	0	0	0	112.4	R170 R173 Q212 S213 R214 S219 E220	R170-F216 HydrophobicContact CG-CD2 4.48Å; R173-F216 HydrophobicContact CB-CE1 3.97Å; R173-F216 HydrophobicContact CB-CE2 3.95Å; R173-F216 HydrophobicContact CB-CZ 3.55Å; R173-F216 HydrophobicContact CG-CE1 4.34Å; R173-F216 HydrophobicContact CG-CZ 4.36Å; Q212-F216 VanDerWaalsContact O-CB 3.28Å; Q212-F216 WeakPolarHBondContact O-CB 3.37Å; Q212-F216 PolarHBondContact O-N 3.3Å; S213-F216 PolarHBondContact O-N 2.87Å; R214-F216 PolarHBondContact O-N 3.39Å; F216-S219 PolarHBondContact O-N 3.09Å; F216-E220 HydrophobicContact CE1-CB 4.39Å; F216-E220 PolarHBondContact O-N 3.45Å
217	Y	97.9	Very high	95.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-76.9	-27.7	-174	-78	-59.6	0	0	0	113.7	S213 R214 E220 S221 R241 E245 L265 L269	S213-Y217 VanDerWaalsContact O-CD2 3.31Å; S213-Y217 WeakPolarHBondContact O-CD2 3.43Å; S213-Y217 PolarHBondContact O-N 3.36Å; R214-Y217 PolarHBondContact O-N 2.98Å; Y217-E220 WeakPolarHBondContact CE1-OE2 3.39Å; Y217-E220 PolarHBondContact O-N 3.01Å; Y217-S221 PolarHBondContact O-N 3.26Å; Y217-S221 PolarHBondContact O-OG 3.15Å; Y217-S221 VanDerWaalsContact O-OG 3.05Å; Y217-R241 HydrophobicContact CE1-CB 3.97Å; Y217-R241 HydrophobicContact CE1-CG 3.87Å; Y217-E245 HydrophobicContact CE2-CG 4.02Å; Y217-E245 WeakPolarHBondContact CE2-OE1 3.25Å; Y217-E245 PolarHBondContact OH-OE1 3.31Å; Y217-L265 HydrophobicContact CD2-CD1 3.59Å; Y217-L265 HydrophobicContact CD2-CG 3.87Å; Y217-L265 HydrophobicContact CE2-CD1 3.6Å; Y217-L265 HydrophobicContact CE2-CD2 4.18Å; Y217-L265 HydrophobicContact CE2-CG 3.99Å; Y217-L265 HydrophobicContact CG-CD1 4.4Å; Y217-L265 HydrophobicContact CG-CG 4.21Å; Y217-L269 HydrophobicContact CD1-CD1 3.9Å; Y217-L269 HydrophobicContact CD1-CD2 3.97Å; Y217-L269 HydrophobicContact CD1-CG 4.28Å; Y217-L269 HydrophobicContact CE1-CD1 4.4Å; Y217-L269 HydrophobicContact CG-CD1 4.37Å; Y217-L269 HydrophobicContact CG-CD2 4.33Å; Y217-L269 HydrophobicContact CG-CG 4.45Å; Y217-L269 WeakPolarHBondContact O-CD2 3.42Å
218	R	97.4	Very high	94.7	Very high	74 Å²	74	54.7 Å²	54.7	28%	0.279	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-51.6	166.1	-171	176.8	-57.4	148.4	3.3	111.4	R214 E220 S221 E222 E268 R272	R214-R218 VanDerWaalsContact CD-NH2 3.33Å; R214-R218 VanDerWaalsContact O-CB 3.28Å; R214-R218 WeakPolarHBondContact O-CB 3.06Å; R214-R218 PolarHBondContact O-N 2.99Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.14Å; R218-S221 PolarHBondContact O-N 3.48Å; R218-S221 PolarHBondContact O-OG 3.32Å; R218-S221 VanDerWaalsContact O-OG 3.12Å; R218-E222 HydrophobicContact CG-CG 4.48Å; R218-E222 VanDerWaalsContact CG-OE1 3.24Å; R218-E222 WeakPolarHBondContact CG-OE1 3.26Å; R218-E222 WeakPolarHBondContact O-CB 3.49Å; R218-E222 VanDerWaalsContact O-CG 3.29Å; R218-E222 WeakPolarHBondContact O-CG 3.33Å; R218-E222 PolarHBondContact O-N 2.9Å; R218-E268 VanDerWaalsContact CB-OE2 3.24Å; R218-E268 WeakPolarHBondContact CB-OE2 3.45Å; R218-E268 WeakPolarHBondContact CG-OE2 3.48Å; R218-E268 IonicContact CZ-OE1 3.38Å; R218-E268 IonicContact CZ-OE2 3.24Å; R218-E268 IonicContact NE-OE1 2.72Å; R218-E268 PolarHBondContact NE-OE1 2.98Å; R218-E268 IonicContact NE-OE2 2.68Å; R218-E268 PolarHBondContact NE-OE2 2.67Å; R218-E268 IonicContact NH2-OE1 3.45Å; R218-E268 PolarHBondContact NH2-OE1 2.57Å; R218-E268 IonicContact NH2-OE2 3.66Å; R218-R272 VanDerWaalsContact NE-NH1 3.13Å
219	S	96.2	Very high	93.9	Very high	59 Å²	59	54.6 Å²	54.6	41%	0.413	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-35.1	179.4	-167.7	0	0	0	0	112.1	E215 F216 N223	E215-S219 PolarHBondContact O-N 3.36Å; F216-S219 PolarHBondContact O-N 3.09Å; S219-N223 WeakPolarHBondContact O-CB 3.39Å; S219-N223 PolarHBondContact O-N 2.83Å; S219-N223 VanDerWaalsContact O-N 3.14Å; S219-N223 PolarHBondContact O-ND2 3.26Å; S219-N223 PolarHBondContact OG-ND2 2.91Å
220	E	95	Very high	93.7	Very high	37 Å²	37	56.6 Å²	56.6	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-40.7	174.9	-172.2	167.2	-136.1	0	0	112.4	F216 Y217 R218 F224 K237 R241	F216-E220 HydrophobicContact CE1-CB 4.39Å; F216-E220 PolarHBondContact O-N 3.45Å; Y217-E220 WeakPolarHBondContact CE1-OE2 3.39Å; Y217-E220 PolarHBondContact O-N 3.01Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.14Å; E220-F224 VanDerWaalsContact O-CB 3.23Å; E220-F224 WeakPolarHBondContact O-CB 3.45Å; E220-F224 PolarHBondContact O-N 3.4Å; E220-F224 VanDerWaalsContact O-N 3.14Å; E220-K237 WeakPolarHBondContact OE1-CE 3.41Å; E220-K237 IonicContact OE1-NZ 2.73Å; E220-K237 PolarHBondContact OE1-NZ 2.92Å; E220-R241 IonicContact OE1-CZ 2.63Å; E220-R241 IonicContact OE1-NE 2.86Å; E220-R241 PolarHBondContact OE1-NE 3.39Å; E220-R241 IonicContact OE1-NH2 2.67Å; E220-R241 PolarHBondContact OE1-NH2 2.99Å; E220-R241 IonicContact OE2-CZ 2.72Å; E220-R241 IonicContact OE2-NE 2.71Å; E220-R241 PolarHBondContact OE2-NE 3.36Å; E220-R241 IonicContact OE2-NH2 3.87Å; E220-R241 PolarHBondContact OE2-NH2 2.91Å
221	S	95	Very high	93.5	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.014	29%	0.287	C	S	.	.	H	α-helix	trans	-71.5	-43.2	178.1	55.2	0	0	0	0	112.9	Y217 R218 F224 L225 Y234 E268 H273	Y217-S221 PolarHBondContact O-N 3.26Å; Y217-S221 PolarHBondContact O-OG 3.15Å; Y217-S221 VanDerWaalsContact O-OG 3.05Å; R218-S221 PolarHBondContact O-N 3.48Å; R218-S221 PolarHBondContact O-OG 3.32Å; R218-S221 VanDerWaalsContact O-OG 3.12Å; S221-F224 PolarHBondContact O-N 3.03Å; S221-L225 WeakPolarHBondContact O-CB 3.5Å; S221-L225 WeakPolarHBondContact O-CG 3.23Å; S221-L225 PolarHBondContact O-N 2.91Å; S221-L225 VanDerWaalsContact O-N 3.1Å; S221-Y234 VanDerWaalsContact CB-OH 3.3Å; S221-Y234 WeakPolarHBondContact CB-OH 3.11Å; S221-E268 PolarHBondContact OG-O 3.37Å; S221-H273 WeakPolarHBondContact CB-NE2 3.35Å; S221-H273 PolarHBondContact OG-CD2 3.06Å; S221-H273 PolarHBondContact OG-NE2 3.24Å
222	E	95	Very high	93.3	Very high	102 Å²	102	52 Å²	52	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-47.4	176.7	-72.8	168.4	176.6	0	0	112.1	R218 A226	R218-E222 HydrophobicContact CG-CG 4.48Å; R218-E222 VanDerWaalsContact CG-OE1 3.24Å; R218-E222 WeakPolarHBondContact CG-OE1 3.26Å; R218-E222 WeakPolarHBondContact O-CB 3.49Å; R218-E222 VanDerWaalsContact O-CG 3.29Å; R218-E222 WeakPolarHBondContact O-CG 3.33Å; R218-E222 PolarHBondContact O-N 2.9Å; E222-A226 WeakPolarHBondContact O-CB 3.49Å; E222-A226 PolarHBondContact O-N 3.46Å
223	N	93.9	Very high	93.1	Very high	93 Å²	93	55.4 Å²	55.4	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-45.8	177.9	-75.3	-57.7	0	0	0	112.3	S219 L225 A226 E227	S219-N223 WeakPolarHBondContact O-CB 3.39Å; S219-N223 PolarHBondContact O-N 2.83Å; S219-N223 VanDerWaalsContact O-N 3.14Å; S219-N223 PolarHBondContact O-ND2 3.26Å; S219-N223 PolarHBondContact OG-ND2 2.91Å; N223-L225 VanDerWaalsContact C-N 3.28Å; N223-L225 PolarHBondContact O-N 3.03Å; N223-A226 PolarHBondContact O-N 2.78Å; N223-A226 VanDerWaalsContact O-N 3.13Å; N223-E227 PolarHBondContact O-N 3.24Å
224	F	91.6	Very high	93	Very high	38 Å²	38	55.7 Å²	55.7	17%	0.167	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-28.9	-175.6	-166.2	-79.3	0	0	0	112.7	E220 S221 T229 Y234 K237	E220-F224 VanDerWaalsContact O-CB 3.23Å; E220-F224 WeakPolarHBondContact O-CB 3.45Å; E220-F224 PolarHBondContact O-N 3.4Å; E220-F224 VanDerWaalsContact O-N 3.14Å; S221-F224 PolarHBondContact O-N 3.03Å; F224-T229 HydrophobicContact CD1-CG2 4.04Å; F224-T229 HydrophobicContact CE1-CG2 3.28Å; F224-T229 HydrophobicContact CZ-CG2 3.6Å; F224-T229 WeakPolarHBondContact O-CB 3.15Å; F224-T229 PolarHBondContact O-OG1 3.04Å; F224-Y234 AromaticContact CD1-CD2 3.69Å; F224-Y234 HydrophobicContact CD1-CD2 3.69Å; F224-Y234 HydrophobicContact CD1-CE2 4.47Å; F224-Y234 HydrophobicContact CD1-CG 4.45Å; F224-Y234 HydrophobicContact CE1-CD2 4.16Å; F224-K237 HydrophobicContact CD2-CG 4.17Å; F224-K237 HydrophobicContact CE1-CB 4.39Å; F224-K237 HydrophobicContact CE2-CB 4.1Å; F224-K237 HydrophobicContact CE2-CD 4.08Å; F224-K237 HydrophobicContact CE2-CG 3.78Å; F224-K237 HydrophobicContact CZ-CB 3.82Å; F224-K237 HydrophobicContact CZ-CG 4Å
225	L	90.7	Very high	92.9	Very high	29 Å²	29	53.2 Å²	53.2	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-76	-39.7	170.7	-69.3	169.1	0	0	0	111.9	S221 N223 E227 N228 Y234 H273	S221-L225 WeakPolarHBondContact O-CB 3.5Å; S221-L225 WeakPolarHBondContact O-CG 3.23Å; S221-L225 PolarHBondContact O-N 2.91Å; S221-L225 VanDerWaalsContact O-N 3.1Å; N223-L225 VanDerWaalsContact C-N 3.28Å; N223-L225 PolarHBondContact O-N 3.03Å; L225-E227 PolarHBondContact O-N 3.02Å; L225-N228 PolarHBondContact O-N 3.12Å; L225-Y234 HydrophobicContact CD1-CE2 4.05Å; L225-Y234 HydrophobicContact CD2-CD2 3.62Å; L225-Y234 HydrophobicContact CD2-CE2 3.84Å; L225-Y234 HydrophobicContact CD2-CG 4.37Å; L225-Y234 HydrophobicContact CG-CD2 3.93Å; L225-Y234 HydrophobicContact CG-CE2 3.71Å; L225-H273 HydrophobicContact CD1-CB 4.08Å; L225-H273 WeakPolarHBondContact CD1-ND1 3.46Å
226	A	91.2	Very high	92.8	Very high	75 Å²	75	55 Å²	55	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-63.4	-25.4	176	0	0	0	0	0	113.5	E222 N223 N228	E222-A226 WeakPolarHBondContact O-CB 3.49Å; E222-A226 PolarHBondContact O-N 3.46Å; N223-A226 PolarHBondContact O-N 2.78Å; N223-A226 VanDerWaalsContact O-N 3.13Å; A226-N228 PolarHBondContact O-N 3.03Å; A226-N228 PolarHBondContact O-ND2 3.35Å
227	E	90.1	Very high	92.7	Very high	139 Å²	139	56.3 Å²	56.3	65%	0.65	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	0.1	170.5	-72.6	175.4	179.5	0	0	113.8	N223 L225 T229	N223-E227 PolarHBondContact O-N 3.24Å; L225-E227 PolarHBondContact O-N 3.02Å; E227-T229 PolarHBondContact O-N 3.22Å
228	N	76.8	Confident	92.6	Very high	141 Å²	141	56.5 Å²	56.5	75%	0.754	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	32.3	-175.5	-61.1	-86.3	0	0	0	113.4	L225 A226	L225-N228 PolarHBondContact O-N 3.12Å; A226-N228 PolarHBondContact O-N 3.03Å; A226-N228 PolarHBondContact O-ND2 3.35Å
229	T	80.3	Confident	92.6	Very high	23 Å²	23	58.8 Å²	58.8	14%	0.141	31%	0.309	C	S	.	.			trans	-71.1	136	-177.8	-47.7	0	0	0	0	111.7	F224 E227 L233	F224-T229 HydrophobicContact CD1-CG2 4.04Å; F224-T229 HydrophobicContact CE1-CG2 3.28Å; F224-T229 HydrophobicContact CZ-CG2 3.6Å; F224-T229 WeakPolarHBondContact O-CB 3.15Å; F224-T229 PolarHBondContact O-OG1 3.04Å; E227-T229 PolarHBondContact O-N 3.22Å; T229-L233 HydrophobicContact CG2-CB 3.66Å; T229-L233 HydrophobicContact CG2-CD1 3.9Å; T229-L233 HydrophobicContact CG2-CG 4.45Å
230	S	92.4	Very high	92.6	Very high	42 Å²	42	60.2 Å²	60.2	29%	0.294	31%	0.31	S	S	.	.			trans	-62.9	150	-175.2	67.2	0	0	0	0	114	S232 L233 Y234 S283	S230-S232 VanDerWaalsContact C-N 3.31Å; S230-S232 PolarHBondContact O-N 3.44Å; S230-L233 WeakPolarHBondContact O-CB 3.47Å; S230-L233 PolarHBondContact O-N 3.4Å; S230-Y234 PolarHBondContact O-N 3.49Å; S230-S283 WeakPolarHBondContact CA-OG 3.33Å
231	A	93.7	Very high	92.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.8	-41.8	-177	0	0	0	0	0	113.1	L233 Y234 I235 I277 M280 S283 M288 M300	A231-L233 VanDerWaalsContact C-N 3.29Å; A231-L233 PolarHBondContact O-N 2.96Å; A231-Y234 PolarHBondContact O-N 3.28Å; A231-I235 WeakPolarHBondContact O-CB 3.36Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.31Å; A231-I235 PolarHBondContact O-N 2.92Å; A231-I277 HydrophobicContact CB-CG2 3.94Å; A231-M280 HydrophobicContact CB-SD 3.94Å; A231-S283 WeakPolarHBondContact CB-O 3.24Å; A231-S283 PolarHBondContact N-OG 3.34Å; A231-S283 VanDerWaalsContact N-OG 3.08Å; A231-M288 HydrophobicContact CB-CE 4Å; A231-M300 HydrophobicContact CB-CE 4.13Å
232	S	93.5	Very high	92.7	Very high	33 Å²	33	59.7 Å²	59.7	23%	0.231	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-36.6	176.6	-50.2	0	0	0	0	113	S230 K236 M288 D296	S230-S232 VanDerWaalsContact C-N 3.31Å; S230-S232 PolarHBondContact O-N 3.44Å; S232-K236 WeakPolarHBondContact O-CB 3.24Å; S232-K236 PolarHBondContact O-N 3.34Å; S232-K236 VanDerWaalsContact O-N 3.12Å; S232-M288 VanDerWaalsContact OG-CE 3.27Å; S232-M288 WeakPolarHBondContact OG-CE 3.17Å; S232-D296 WeakPolarHBondContact CB-OD2 3.37Å; S232-D296 PolarHBondContact OG-OD2 3.08Å
233	L	93.7	Very high	92.8	Very high	89 Å²	89	58.5 Å²	58.5	47%	0.466	30%	0.301	S	S	.	.	H	α-helix	trans	-74.4	-39.4	176.2	-72.6	175.7	0	0	0	111.7	T229 S230 A231 K236 K237	T229-L233 HydrophobicContact CG2-CB 3.66Å; T229-L233 HydrophobicContact CG2-CD1 3.9Å; T229-L233 HydrophobicContact CG2-CG 4.45Å; S230-L233 WeakPolarHBondContact O-CB 3.47Å; S230-L233 PolarHBondContact O-N 3.4Å; A231-L233 VanDerWaalsContact C-N 3.29Å; A231-L233 PolarHBondContact O-N 2.96Å; L233-K236 PolarHBondContact O-N 3.46Å; L233-K237 WeakPolarHBondContact O-CB 3.34Å; L233-K237 PolarHBondContact O-N 2.82Å
234	Y	95.4	Very high	92.9	Very high	6 Å²	6	56 Å²	56	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-52.4	173	-174.4	-80.5	0	0	0	111.2	S221 F224 L225 S230 A231 K236 K237 V238 L269 H273 I277	S221-Y234 VanDerWaalsContact CB-OH 3.3Å; S221-Y234 WeakPolarHBondContact CB-OH 3.11Å; F224-Y234 AromaticContact CD1-CD2 3.69Å; F224-Y234 HydrophobicContact CD1-CD2 3.69Å; F224-Y234 HydrophobicContact CD1-CE2 4.47Å; F224-Y234 HydrophobicContact CD1-CG 4.45Å; F224-Y234 HydrophobicContact CE1-CD2 4.16Å; L225-Y234 HydrophobicContact CD1-CE2 4.05Å; L225-Y234 HydrophobicContact CD2-CD2 3.62Å; L225-Y234 HydrophobicContact CD2-CE2 3.84Å; L225-Y234 HydrophobicContact CD2-CG 4.37Å; L225-Y234 HydrophobicContact CG-CD2 3.93Å; L225-Y234 HydrophobicContact CG-CE2 3.71Å; S230-Y234 PolarHBondContact O-N 3.49Å; A231-Y234 PolarHBondContact O-N 3.28Å; Y234-K236 VanDerWaalsContact C-N 3.3Å; Y234-K236 PolarHBondContact O-N 2.99Å; Y234-K237 WeakPolarHBondContact O-CA 3.42Å; Y234-K237 WeakPolarHBondContact O-CB 3.47Å; Y234-K237 PolarHBondContact O-N 3.47Å; Y234-V238 HydrophobicContact CD1-CG2 3.74Å; Y234-V238 HydrophobicContact CE1-CG2 3.27Å; Y234-V238 WeakPolarHBondContact O-CG2 3.29Å; Y234-V238 PolarHBondContact O-N 3.33Å; Y234-L269 WeakPolarHBondContact CE1-O 3.26Å; Y234-L269 PolarHBondContact OH-O 2.91Å; Y234-H273 PolarHBondContact OH-CD2 3.03Å; Y234-I277 HydrophobicContact CD1-CD1 3.52Å; Y234-I277 HydrophobicContact CD1-CG1 3.87Å; Y234-I277 HydrophobicContact CD1-CG2 4.5Å; Y234-I277 HydrophobicContact CE1-CD1 3.21Å; Y234-I277 HydrophobicContact CE1-CG1 3.97Å; Y234-I277 HydrophobicContact CG-CD1 4.44Å; Y234-I277 HydrophobicContact CG-CG1 4.38Å
235	I	96	Very high	93.1	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-56.3	-42.7	177.7	-71.1	-63.6	0	0	0	111.5	A231 V238 K239 I277 A299 M300 V303	A231-I235 WeakPolarHBondContact O-CB 3.36Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.31Å; A231-I235 PolarHBondContact O-N 2.92Å; I235-V238 PolarHBondContact O-N 3.23Å; I235-K239 PolarHBondContact O-N 3.1Å; I235-I277 HydrophobicContact CD1-CG2 4.11Å; I235-I277 HydrophobicContact CG1-CG2 4.18Å; I235-A299 VanDerWaalsContact CG2-C 3.49Å; I235-A299 HydrophobicContact CG2-CB 3.96Å; I235-A299 WeakPolarHBondContact CG2-O 3.32Å; I235-M300 HydrophobicContact CD1-CB 4.42Å; I235-M300 HydrophobicContact CD1-CG 4.15Å; I235-M300 HydrophobicContact CG1-CB 4.28Å; I235-M300 HydrophobicContact CG1-CG 4.34Å; I235-V303 HydrophobicContact CD1-CB 4.09Å; I235-V303 HydrophobicContact CD1-CG1 4.05Å; I235-V303 HydrophobicContact CG2-CB 4.36Å; I235-V303 HydrophobicContact CG2-CG2 3.9Å
236	K	95.5	Very high	93.4	Very high	148 Å²	148	55.1 Å²	55.1	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-43.1	174.8	-175.9	179.5	179.3	-178.3	0	112.4	S232 L233 Y234 K239 Q240	S232-K236 WeakPolarHBondContact O-CB 3.24Å; S232-K236 PolarHBondContact O-N 3.34Å; S232-K236 VanDerWaalsContact O-N 3.12Å; L233-K236 PolarHBondContact O-N 3.46Å; Y234-K236 VanDerWaalsContact C-N 3.3Å; Y234-K236 PolarHBondContact O-N 2.99Å; K236-K239 PolarHBondContact O-N 3Å; K236-Q240 PolarHBondContact O-N 3.05Å
237	K	94.6	Very high	93.6	Very high	49 Å²	49	57.1 Å²	57.1	21%	0.213	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-43.3	177.4	175.3	69.5	176	-172.7	0	111.8	E220 F224 L233 Y234 Q240 R241	E220-K237 WeakPolarHBondContact OE1-CE 3.41Å; E220-K237 IonicContact OE1-NZ 2.73Å; E220-K237 PolarHBondContact OE1-NZ 2.92Å; F224-K237 HydrophobicContact CD2-CG 4.17Å; F224-K237 HydrophobicContact CE1-CB 4.39Å; F224-K237 HydrophobicContact CE2-CB 4.1Å; F224-K237 HydrophobicContact CE2-CD 4.08Å; F224-K237 HydrophobicContact CE2-CG 3.78Å; F224-K237 HydrophobicContact CZ-CB 3.82Å; F224-K237 HydrophobicContact CZ-CG 4Å; L233-K237 WeakPolarHBondContact O-CB 3.34Å; L233-K237 PolarHBondContact O-N 2.82Å; Y234-K237 WeakPolarHBondContact O-CA 3.42Å; Y234-K237 WeakPolarHBondContact O-CB 3.47Å; Y234-K237 PolarHBondContact O-N 3.47Å; K237-Q240 WeakPolarHBondContact O-CB 3.4Å; K237-Q240 PolarHBondContact O-N 3.12Å; K237-R241 WeakPolarHBondContact O-CG 3.31Å; K237-R241 PolarHBondContact O-N 3.41Å
238	V	96.8	Very high	93.8	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-48.2	175.5	174.6	0	0	0	0	111.3	Y234 I235 Q240 R241 I242 L269 I270 V303	Y234-V238 HydrophobicContact CD1-CG2 3.74Å; Y234-V238 HydrophobicContact CE1-CG2 3.27Å; Y234-V238 WeakPolarHBondContact O-CG2 3.29Å; Y234-V238 PolarHBondContact O-N 3.33Å; I235-V238 PolarHBondContact O-N 3.23Å; V238-Q240 VanDerWaalsContact C-N 3.3Å; V238-Q240 PolarHBondContact O-N 3.18Å; V238-R241 PolarHBondContact O-N 2.84Å; V238-R241 VanDerWaalsContact O-N 3.14Å; V238-I242 HydrophobicContact CG1-CD1 3.86Å; V238-I242 HydrophobicContact CG1-CG1 4.43Å; V238-I242 WeakPolarHBondContact O-CG1 3.39Å; V238-I242 PolarHBondContact O-N 3.27Å; V238-L269 HydrophobicContact CG1-CB 3.98Å; V238-L269 HydrophobicContact CG1-CD1 4.31Å; V238-L269 HydrophobicContact CG2-CB 3.9Å; V238-L269 HydrophobicContact CG2-CD1 4.47Å; V238-I270 HydrophobicContact CG1-CD1 4.15Å; V238-I270 HydrophobicContact CG1-CG1 3.85Å; V238-V303 HydrophobicContact CB-CG1 4.41Å; V238-V303 HydrophobicContact CG1-CG1 3.87Å
239	K	96.2	Very high	94.7	Very high	121 Å²	121	44.6 Å²	44.6	53%	0.526	21%	0.213	S	C	.	.	H	α-helix	trans	-56.1	-46.2	176	-178.6	178.5	173.9	-179.7	0	111.5	I235 K236 R241 I242 E243 V303	I235-K239 PolarHBondContact O-N 3.1Å; K236-K239 PolarHBondContact O-N 3Å; K239-R241 PolarHBondContact O-N 2.84Å; K239-I242 PolarHBondContact O-N 3.1Å; K239-E243 WeakPolarHBondContact CE-OE1 3.38Å; K239-E243 WeakPolarHBondContact O-CG 3.48Å; K239-E243 PolarHBondContact O-N 3.12Å; K239-E243 VanDerWaalsContact O-N 3.08Å; K239-V303 HydrophobicContact CB-CG2 4.27Å
240	Q	96.2	Very high	95.3	Very high	89 Å²	89	50.5 Å²	50.5	42%	0.416	24%	0.239	S	C	.	.	H	α-helix	trans	-57.6	-46.7	176.2	176.2	-179.4	-10.6	0	0	112	K236 K237 V238 E243 E244	K236-Q240 PolarHBondContact O-N 3.05Å; K237-Q240 WeakPolarHBondContact O-CB 3.4Å; K237-Q240 PolarHBondContact O-N 3.12Å; V238-Q240 VanDerWaalsContact C-N 3.3Å; V238-Q240 PolarHBondContact O-N 3.18Å; Q240-E243 PolarHBondContact O-N 2.74Å; Q240-E244 HydrophobicContact CG-CG 4.43Å; Q240-E244 VanDerWaalsContact CG-OE1 3.27Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.39Å; Q240-E244 PolarHBondContact NE2-OE1 3.42Å; Q240-E244 WeakPolarHBondContact O-CG 3.38Å; Q240-E244 PolarHBondContact O-N 3.26Å
241	R	96.6	Very high	95.2	Very high	21 Å²	21	53.5 Å²	53.5	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-39.3	-179.4	-70.4	-50.4	-153.4	-176.8	7.9	113.1	R173 Y217 E220 K237 V238 K239 E244 E245 L265 L269	R173-R241 PolarHBondContact O-NH1 3.26Å; R173-R241 PolarHBondContact O-NH2 2.97Å; Y217-R241 HydrophobicContact CE1-CB 3.97Å; Y217-R241 HydrophobicContact CE1-CG 3.87Å; E220-R241 IonicContact OE1-CZ 2.63Å; E220-R241 IonicContact OE1-NE 2.86Å; E220-R241 PolarHBondContact OE1-NE 3.39Å; E220-R241 IonicContact OE1-NH2 2.67Å; E220-R241 PolarHBondContact OE1-NH2 2.99Å; E220-R241 IonicContact OE2-CZ 2.72Å; E220-R241 IonicContact OE2-NE 2.71Å; E220-R241 PolarHBondContact OE2-NE 3.36Å; E220-R241 IonicContact OE2-NH2 3.87Å; E220-R241 PolarHBondContact OE2-NH2 2.91Å; K237-R241 WeakPolarHBondContact O-CG 3.31Å; K237-R241 PolarHBondContact O-N 3.41Å; V238-R241 PolarHBondContact O-N 2.84Å; V238-R241 VanDerWaalsContact O-N 3.14Å; K239-R241 PolarHBondContact O-N 2.84Å; R241-E244 VanDerWaalsContact CD-OE2 3.23Å; R241-E244 WeakPolarHBondContact CD-OE2 3.46Å; R241-E244 IonicContact CZ-OE2 2.74Å; R241-E244 IonicContact NE-OE2 3.76Å; R241-E244 IonicContact NH1-OE2 3.15Å; R241-E244 PolarHBondContact NH1-OE2 3.39Å; R241-E244 PolarHBondContact O-N 2.84Å; R241-E245 PolarHBondContact O-N 3.27Å; R241-L265 HydrophobicContact CB-CD2 4.16Å; R241-L269 HydrophobicContact CB-CD1 4.1Å
242	I	97.1	Very high	94.9	Very high	7 Å²	7	54 Å²	54	4%	0.036	25%	0.25	C	S	.	.	H	α-helix	trans	-61.6	-46.4	174.4	-66.8	171.1	0	0	0	110.6	V238 K239 E244 E245 V246 L265 I270	V238-I242 HydrophobicContact CG1-CD1 3.86Å; V238-I242 HydrophobicContact CG1-CG1 4.43Å; V238-I242 WeakPolarHBondContact O-CG1 3.39Å; V238-I242 PolarHBondContact O-N 3.27Å; K239-I242 PolarHBondContact O-N 3.1Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 2.96Å; I242-E245 PolarHBondContact O-N 3.02Å; I242-V246 WeakPolarHBondContact O-CG2 3.4Å; I242-V246 PolarHBondContact O-N 2.86Å; I242-L265 HydrophobicContact CG1-CB 4.19Å; I242-L265 HydrophobicContact CG1-CD2 3.91Å; I242-I270 HydrophobicContact CD1-CD1 4.2Å
243	E	96.8	Very high	94.9	Very high	77 Å²	77	53.4 Å²	53.4	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-35.3	176.6	-67.8	-178.1	-158.2	0	0	113.1	K239 Q240 R247	K239-E243 WeakPolarHBondContact CE-OE1 3.38Å; K239-E243 WeakPolarHBondContact O-CG 3.48Å; K239-E243 PolarHBondContact O-N 3.12Å; K239-E243 VanDerWaalsContact O-N 3.08Å; Q240-E243 PolarHBondContact O-N 2.74Å; E243-R247 VanDerWaalsContact CB-NH2 3.28Å; E243-R247 WeakPolarHBondContact O-CB 3.43Å; E243-R247 VanDerWaalsContact O-CG 3.25Å; E243-R247 WeakPolarHBondContact O-CG 3.29Å; E243-R247 PolarHBondContact O-N 3.48Å; E243-R247 VanDerWaalsContact O-N 3.12Å; E243-R247 PolarHBondContact O-NE 3.49Å; E243-R247 VanDerWaalsContact O-NE 3.1Å; E243-R247 IonicContact OE2-CZ 2.76Å; E243-R247 IonicContact OE2-NH1 3.66Å; E243-R247 PolarHBondContact OE2-NH1 2.89Å; E243-R247 IonicContact OE2-NH2 3.85Å
244	E	96.1	Very high	94.9	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.192	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-41.5	174.5	-76.5	171.2	-173.8	0	0	112.2	Q240 R241 I242 R248	Q240-E244 HydrophobicContact CG-CG 4.43Å; Q240-E244 VanDerWaalsContact CG-OE1 3.27Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.39Å; Q240-E244 PolarHBondContact NE2-OE1 3.42Å; Q240-E244 WeakPolarHBondContact O-CG 3.38Å; Q240-E244 PolarHBondContact O-N 3.26Å; R241-E244 VanDerWaalsContact CD-OE2 3.23Å; R241-E244 WeakPolarHBondContact CD-OE2 3.46Å; R241-E244 IonicContact CZ-OE2 2.74Å; R241-E244 IonicContact NE-OE2 3.76Å; R241-E244 IonicContact NH1-OE2 3.15Å; R241-E244 PolarHBondContact NH1-OE2 3.39Å; R241-E244 PolarHBondContact O-N 2.84Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 2.96Å; E244-R248 WeakPolarHBondContact O-CB 3.06Å; E244-R248 PolarHBondContact O-N 2.73Å
245	E	96.4	Very high	94.9	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-72.5	-41.3	178.2	-73.7	-63.2	172.7	0	0	113.6	R173 Y217 R241 I242 R247 R248 A249 I261 L265	R173-E245 IonicContact CZ-OE1 2.92Å; R173-E245 IonicContact NE-OE1 3.88Å; R173-E245 PolarHBondContact NE-OE1 3.41Å; R173-E245 IonicContact NH2-OE1 3.7Å; R173-E245 PolarHBondContact NH2-OE1 3.28Å; R173-E245 IonicContact NH2-OE2 2.82Å; Y217-E245 HydrophobicContact CE2-CG 4.02Å; Y217-E245 WeakPolarHBondContact CE2-OE1 3.25Å; Y217-E245 PolarHBondContact OH-OE1 3.31Å; R241-E245 PolarHBondContact O-N 3.27Å; I242-E245 PolarHBondContact O-N 3.02Å; E245-R247 VanDerWaalsContact C-N 3.29Å; E245-R247 PolarHBondContact O-N 3.12Å; E245-R248 PolarHBondContact O-N 3.06Å; E245-R248 VanDerWaalsContact O-N 3.12Å; E245-R248 IonicContact OE1-CZ 2.88Å; E245-R248 IonicContact OE1-NH1 2.82Å; E245-R248 PolarHBondContact OE1-NH1 3.17Å; E245-R248 WeakPolarHBondContact OE2-CD 3.37Å; E245-R248 IonicContact OE2-CZ 3.8Å; E245-R248 IonicContact OE2-NH1 3.99Å; E245-R248 PolarHBondContact OE2-NH1 3.44Å; E245-A249 WeakPolarHBondContact O-CB 3.5Å; E245-A249 PolarHBondContact O-N 3.25Å; E245-I261 HydrophobicContact CB-CG1 4.16Å; E245-I261 HydrophobicContact CG-CG1 4.14Å; E245-L265 HydrophobicContact CB-CD2 4.2Å; E245-L265 HydrophobicContact CG-CD1 3.92Å; E245-L265 HydrophobicContact CG-CD2 3.77Å
246	V	96.8	Very high	94.9	Very high	47 Å²	47	57 Å²	57	29%	0.285	27%	0.274	S	S	.	.	H	α-helix	trans	-58.5	-44.8	173	169.9	0	0	0	0	110.1	I242 R248 H250 V262	I242-V246 WeakPolarHBondContact O-CG2 3.4Å; I242-V246 PolarHBondContact O-N 2.86Å; V246-R248 PolarHBondContact O-N 2.93Å; V246-H250 WeakPolarHBondContact O-CB 3.34Å; V246-H250 PolarHBondContact O-N 3.23Å; V246-H250 VanDerWaalsContact O-N 3.1Å; V246-V262 HydrophobicContact CG2-CG2 3.64Å
247	R	95.2	Very high	94.9	Very high	117 Å²	117	50 Å²	50	44%	0.442	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-42	174.1	-73.2	-179.2	-67.6	-114.7	0.6	112	E243 E245 H251	E243-R247 VanDerWaalsContact CB-NH2 3.28Å; E243-R247 WeakPolarHBondContact O-CB 3.43Å; E243-R247 VanDerWaalsContact O-CG 3.25Å; E243-R247 WeakPolarHBondContact O-CG 3.29Å; E243-R247 PolarHBondContact O-N 3.48Å; E243-R247 VanDerWaalsContact O-N 3.12Å; E243-R247 PolarHBondContact O-NE 3.49Å; E243-R247 VanDerWaalsContact O-NE 3.1Å; E243-R247 IonicContact OE2-CZ 2.76Å; E243-R247 IonicContact OE2-NH1 3.66Å; E243-R247 PolarHBondContact OE2-NH1 2.89Å; E243-R247 IonicContact OE2-NH2 3.85Å; E245-R247 VanDerWaalsContact C-N 3.29Å; E245-R247 PolarHBondContact O-N 3.12Å; R247-H251 PolarHBondContact O-N 3.05Å; R247-H251 PolarHBondContact O-ND1 3.06Å
248	R	93.9	Very high	95	Very high	15 Å²	15	50.7 Å²	50.7	6%	0.057	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-47.2	178.8	-179.1	177.8	-66	98.8	11.3	112.4	E172 E244 E245 V246 H251 H252	E172-R248 IonicContact OE2-CZ 2.73Å; E172-R248 VanDerWaalsContact OE2-CZ 3.24Å; E172-R248 IonicContact OE2-NE 2.89Å; E172-R248 PolarHBondContact OE2-NE 3.41Å; E172-R248 IonicContact OE2-NH2 3.11Å; E172-R248 PolarHBondContact OE2-NH2 2.77Å; E244-R248 WeakPolarHBondContact O-CB 3.06Å; E244-R248 PolarHBondContact O-N 2.73Å; E245-R248 PolarHBondContact O-N 3.06Å; E245-R248 VanDerWaalsContact O-N 3.12Å; E245-R248 IonicContact OE1-CZ 2.88Å; E245-R248 IonicContact OE1-NH1 2.82Å; E245-R248 PolarHBondContact OE1-NH1 3.17Å; E245-R248 WeakPolarHBondContact OE2-CD 3.37Å; E245-R248 IonicContact OE2-CZ 3.8Å; E245-R248 IonicContact OE2-NH1 3.99Å; E245-R248 PolarHBondContact OE2-NH1 3.44Å; V246-R248 PolarHBondContact O-N 2.93Å; R248-H251 PolarHBondContact O-N 3.32Å; R248-H252 PolarHBondContact O-N 3.11Å
249	A	94.8	Very high	95.1	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-54.2	177.6	0	0	0	0	0	110.4	E245 H251 H252 L253 E258 I261	E245-A249 WeakPolarHBondContact O-CB 3.5Å; E245-A249 PolarHBondContact O-N 3.25Å; A249-H251 VanDerWaalsContact C-N 3.27Å; A249-H251 PolarHBondContact O-N 3.14Å; A249-H252 PolarHBondContact O-N 2.89Å; A249-L253 HydrophobicContact CB-CD1 4.27Å; A249-L253 WeakPolarHBondContact O-CB 3.48Å; A249-L253 PolarHBondContact O-N 3.27Å; A249-E258 HydrophobicContact CB-CB 3.86Å; A249-E258 HydrophobicContact CB-CG 4.01Å; A249-I261 HydrophobicContact CB-CG2 4.33Å
250	H	93.6	Very high	95.2	Very high	147 Å²	147	51.7 Å²	51.7	68%	0.681	26%	0.259	S	S	*	.	H	α-helix	trans	-57.3	-33.2	-179.1	-170.2	85.6	0	0	0	114.6	V246	V246-H250 WeakPolarHBondContact O-CB 3.34Å; V246-H250 PolarHBondContact O-N 3.23Å; V246-H250 VanDerWaalsContact O-N 3.1Å
251	H	89.6	Confident	95.2	Very high	105 Å²	105	47.5 Å²	47.5	49%	0.486	24%	0.239	S	C	.	.	H	α-helix	trans	-86.4	-21.8	-178	-74	74.5	0	0	0	114.4	R247 R248 A249	R247-H251 PolarHBondContact O-N 3.05Å; R247-H251 PolarHBondContact O-ND1 3.06Å; R248-H251 PolarHBondContact O-N 3.32Å; A249-H251 VanDerWaalsContact C-N 3.27Å; A249-H251 PolarHBondContact O-N 3.14Å
252	H	87.2	Confident	95.3	Very high	11 Å²	11	47.5 Å²	47.5	5%	0.051	24%	0.241	C	C	.	.	H	α-helix	trans	-134.5	-25.3	-163.6	-55.3	-30.2	0	0	0	115.6	R180 I183 C187 R248 A249	R180-H252 WeakPolarHBondContact CB-CE1 3.37Å; R180-H252 WeakPolarHBondContact CD-NE2 3.22Å; R180-H252 VanDerWaalsContact CG-CE1 3.49Å; R180-H252 WeakPolarHBondContact CG-CE1 3.46Å; R180-H252 WeakPolarHBondContact CG-NE2 3.33Å; R180-H252 PolarHBondContact O-ND1 3.47Å; I183-H252 HydrophobicContact CG2-CB 4.08Å; C187-H252 WeakPolarHBondContact CB-O 3.31Å; R248-H252 PolarHBondContact O-N 3.11Å; A249-H252 PolarHBondContact O-N 2.89Å
253	L	93.9	Very high	95.3	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.105	27%	0.265	C	S	.	.	S	Bend	trans	-109.8	171	-166.5	-52.7	-171.2	0	0	0	111.3	I183 F205 F209 A249 T257	I183-L253 HydrophobicContact CG2-CD2 4.42Å; F205-L253 HydrophobicContact CE1-CD2 3.72Å; F205-L253 HydrophobicContact CZ-CD2 3.84Å; F209-L253 HydrophobicContact CD1-CD1 4.39Å; F209-L253 HydrophobicContact CE1-CD1 3.71Å; F209-L253 HydrophobicContact CE2-CD1 4.12Å; F209-L253 HydrophobicContact CZ-CD1 3.56Å; A249-L253 HydrophobicContact CB-CD1 4.27Å; A249-L253 WeakPolarHBondContact O-CB 3.48Å; A249-L253 PolarHBondContact O-N 3.27Å; L253-T257 HydrophobicContact CD1-CG2 3.79Å
254	D	94.6	Very high	95.4	Very high	30 Å²	30	48 Å²	48	16%	0.16	25%	0.25	C	S	.	.			trans	-67.9	142	168.6	-177.1	-96	0	0	0	110.5	V191 Y201 S256 T257	V191-D254 HydrophobicContact CG2-CB 4.48Å; Y201-D254 HydrophobicContact CD1-CB 4.1Å; Y201-D254 HydrophobicContact CE1-CB 3.48Å; Y201-D254 VanDerWaalsContact CE1-CB 3.48Å; Y201-D254 HydrophobicContact CE2-CB 4.24Å; Y201-D254 PolarHBondContact OH-N 3.32Å; Y201-D254 VanDerWaalsContact OH-N 3.09Å; D254-S256 PolarHBondContact O-N 2.78Å; D254-S256 WeakPolarHBondContact OD1-CB 3.32Å; D254-S256 PolarHBondContact OD1-N 2.96Å; D254-S256 PolarHBondContact OD1-OG 3.45Å; D254-T257 WeakPolarHBondContact O-CB 3.49Å; D254-T257 PolarHBondContact O-N 2.87Å; D254-T257 PolarHBondContact O-OG1 3.11Å
255	P	94.7	Very high	95.5	Very high	109 Å²	109	46.1 Å²	46.1	71%	0.708	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.1	178.7	-28.1	36.6	0	0	0	114.9	T257	P255-T257 PolarHBondContact O-N 2.89Å
256	S	95.1	Very high	95.5	Very high	36 Å²	36	47.5 Å²	47.5	25%	0.252	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.4	174.3	72.2	0	0	0	0	113.9	D254 K260	D254-S256 PolarHBondContact O-N 2.78Å; D254-S256 WeakPolarHBondContact OD1-CB 3.32Å; D254-S256 PolarHBondContact OD1-N 2.96Å; D254-S256 PolarHBondContact OD1-OG 3.45Å; S256-K260 WeakPolarHBondContact O-CD 3.47Å; S256-K260 WeakPolarHBondContact O-CE 3Å; S256-K260 WeakPolarHBondContact O-CG 3.21Å; S256-K260 PolarHBondContact O-NZ 3.46Å; S256-K260 PolarHBondContact OG-NZ 3.14Å
257	T	96.9	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-32.9	179.4	-50.8	0	0	0	0	113.1	Y201 E206 F209 L253 D254 P255 K260 I261	Y201-T257 WeakPolarHBondContact CE1-OG1 3.44Å; Y201-T257 PolarHBondContact OH-OG1 3.29Å; E206-T257 HydrophobicContact CG-CG2 3.88Å; E206-T257 VanDerWaalsContact OE1-CA 3.31Å; E206-T257 WeakPolarHBondContact OE1-CA 3.23Å; E206-T257 VanDerWaalsContact OE1-CB 3.31Å; E206-T257 WeakPolarHBondContact OE1-CB 3.42Å; E206-T257 PolarHBondContact OE1-OG1 3.46Å; F209-T257 HydrophobicContact CD1-CG2 4.03Å; F209-T257 HydrophobicContact CE1-CG2 3.79Å; L253-T257 HydrophobicContact CD1-CG2 3.79Å; D254-T257 WeakPolarHBondContact O-CB 3.49Å; D254-T257 PolarHBondContact O-N 2.87Å; D254-T257 PolarHBondContact O-OG1 3.11Å; P255-T257 PolarHBondContact O-N 2.89Å; T257-K260 WeakPolarHBondContact O-CB 3.43Å; T257-K260 PolarHBondContact O-N 3.11Å; T257-I261 PolarHBondContact O-N 3.46Å
258	E	97.2	Very high	95.7	Very high	64 Å²	64	42.7 Å²	42.7	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-51.2	-52.4	-178.3	-170	180	124.8	0	0	113.8	A249 K260 I261 V262	A249-E258 HydrophobicContact CB-CB 3.86Å; A249-E258 HydrophobicContact CB-CG 4.01Å; E258-K260 VanDerWaalsContact C-N 3.28Å; E258-K260 PolarHBondContact O-N 3.36Å; E258-I261 VanDerWaalsContact O-CG2 3.24Å; E258-I261 WeakPolarHBondContact O-CG2 3.3Å; E258-I261 PolarHBondContact O-N 2.69Å; E258-V262 WeakPolarHBondContact O-CG2 3.47Å; E258-V262 PolarHBondContact O-N 3.22Å; E258-V262 VanDerWaalsContact O-N 3.15Å
259	P	97.4	Very high	95.8	Very high	78 Å²	78	42.2 Å²	42.2	51%	0.506	23%	0.226	S	C	.	.	H	α-helix	trans	-64.6	-31.1	177.5	25.2	-34.9	0	0	0	113	V263	P259-V263 WeakPolarHBondContact O-CG2 3.49Å; P259-V263 PolarHBondContact O-N 2.68Å; P259-V263 VanDerWaalsContact O-N 3.14Å
260	K	98	Very high	95.9	Very high	68 Å²	68	42.1 Å²	42.1	30%	0.296	23%	0.225	S	C	.	.	H	α-helix	trans	-72.5	-41.6	-178.5	-57.6	170.2	-166	152.6	0	111.8	E206 L210 S256 T257 E258 V263 V264	E206-K260 WeakPolarHBondContact OE1-CD 3.43Å; E206-K260 IonicContact OE1-NZ 3.8Å; E206-K260 PolarHBondContact OE1-NZ 3.17Å; E206-K260 VanDerWaalsContact OE2-CD 3.3Å; E206-K260 WeakPolarHBondContact OE2-CD 3.45Å; E206-K260 WeakPolarHBondContact OE2-CE 3.48Å; E206-K260 IonicContact OE2-NZ 2.89Å; E206-K260 PolarHBondContact OE2-NZ 3.2Å; L210-K260 HydrophobicContact CD1-CB 3.85Å; L210-K260 HydrophobicContact CD1-CD 4.13Å; L210-K260 HydrophobicContact CD2-CB 3.99Å; S256-K260 WeakPolarHBondContact O-CD 3.47Å; S256-K260 WeakPolarHBondContact O-CE 3Å; S256-K260 WeakPolarHBondContact O-CG 3.21Å; S256-K260 PolarHBondContact O-NZ 3.46Å; S256-K260 PolarHBondContact OG-NZ 3.14Å; T257-K260 WeakPolarHBondContact O-CB 3.43Å; T257-K260 PolarHBondContact O-N 3.11Å; E258-K260 VanDerWaalsContact C-N 3.28Å; E258-K260 PolarHBondContact O-N 3.36Å; K260-V263 PolarHBondContact O-N 3.34Å; K260-V264 PolarHBondContact O-N 3.21Å
261	I	97.7	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.4	-37.2	176.5	-174.1	59.2	0	0	0	111.2	F209 L210 S213 E245 A249 T257 E258 V263 V264 L265	F209-I261 HydrophobicContact CE1-CB 4.11Å; F209-I261 HydrophobicContact CE1-CD1 4Å; F209-I261 HydrophobicContact CE1-CG1 4.09Å; F209-I261 HydrophobicContact CZ-CD1 4.1Å; F209-I261 HydrophobicContact CZ-CG1 4.12Å; L210-I261 HydrophobicContact CD2-CB 4.06Å; L210-I261 HydrophobicContact CD2-CD1 4.28Å; S213-I261 VanDerWaalsContact CB-CD1 3.41Å; S213-I261 WeakPolarHBondContact OG-CD1 3.17Å; E245-I261 HydrophobicContact CB-CG1 4.16Å; E245-I261 HydrophobicContact CG-CG1 4.14Å; A249-I261 HydrophobicContact CB-CG2 4.33Å; T257-I261 PolarHBondContact O-N 3.46Å; E258-I261 VanDerWaalsContact O-CG2 3.24Å; E258-I261 WeakPolarHBondContact O-CG2 3.3Å; E258-I261 PolarHBondContact O-N 2.69Å; I261-V263 PolarHBondContact O-N 3.47Å; I261-V264 HydrophobicContact CD1-CB 4.47Å; I261-V264 PolarHBondContact O-N 2.67Å; I261-V264 VanDerWaalsContact O-N 3.17Å; I261-L265 HydrophobicContact CD1-CD1 3.78Å; I261-L265 HydrophobicContact CG1-CD1 3.94Å; I261-L265 WeakPolarHBondContact O-CD1 3.15Å; I261-L265 PolarHBondContact O-N 3.13Å; I261-L265 VanDerWaalsContact O-N 3.11Å
262	V	97.8	Very high	96.3	Very high	21 Å²	21	37.9 Å²	37.9	13%	0.127	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-45.8	173.8	170.3	0	0	0	0	111.1	V246 E258 V264 L265 E266	V246-V262 HydrophobicContact CG2-CG2 3.64Å; E258-V262 WeakPolarHBondContact O-CG2 3.47Å; E258-V262 PolarHBondContact O-N 3.22Å; E258-V262 VanDerWaalsContact O-N 3.15Å; V262-V264 VanDerWaalsContact C-N 3.32Å; V262-V264 PolarHBondContact O-N 3.25Å; V262-L265 PolarHBondContact O-N 3.22Å; V262-L265 VanDerWaalsContact O-N 3.11Å; V262-E266 HydrophobicContact CG1-CG 4.28Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.34Å; V262-E266 WeakPolarHBondContact O-CG 3.47Å; V262-E266 PolarHBondContact O-N 2.78Å
263	V	97.8	Very high	96.7	Very high	89 Å²	89	38.4 Å²	38.4	54%	0.539	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-38.4	175.2	168.4	0	0	0	0	112.5	P259 K260 I261 L265 E266 E267	P259-V263 WeakPolarHBondContact O-CG2 3.49Å; P259-V263 PolarHBondContact O-N 2.68Å; P259-V263 VanDerWaalsContact O-N 3.14Å; K260-V263 PolarHBondContact O-N 3.34Å; I261-V263 PolarHBondContact O-N 3.47Å; V263-L265 VanDerWaalsContact C-N 3.33Å; V263-L265 PolarHBondContact O-N 3.21Å; V263-E266 PolarHBondContact O-N 2.86Å; V263-E267 PolarHBondContact O-N 2.63Å
264	V	98.2	Very high	96.7	Very high	7 Å²	7	38 Å²	38	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-36.6	175.8	170.7	0	0	0	0	112	L210 R214 K260 I261 V262 E268	L210-V264 HydrophobicContact CD2-CG2 4.22Å; R214-V264 HydrophobicContact CB-CG1 3.84Å; R214-V264 HydrophobicContact CG-CG1 4.26Å; K260-V264 PolarHBondContact O-N 3.21Å; I261-V264 HydrophobicContact CD1-CB 4.47Å; I261-V264 PolarHBondContact O-N 2.67Å; I261-V264 VanDerWaalsContact O-N 3.17Å; V262-V264 VanDerWaalsContact C-N 3.32Å; V262-V264 PolarHBondContact O-N 3.25Å; V264-E268 PolarHBondContact O-N 3.15Å
265	L	98	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-72.8	-38.2	174.6	-85	74.4	0	0	0	111.5	Y217 R241 I242 E245 I261 V262 V263 E267 L269	Y217-L265 HydrophobicContact CD2-CD1 3.59Å; Y217-L265 HydrophobicContact CD2-CG 3.87Å; Y217-L265 HydrophobicContact CE2-CD1 3.6Å; Y217-L265 HydrophobicContact CE2-CD2 4.18Å; Y217-L265 HydrophobicContact CE2-CG 3.99Å; Y217-L265 HydrophobicContact CG-CD1 4.4Å; Y217-L265 HydrophobicContact CG-CG 4.21Å; R241-L265 HydrophobicContact CB-CD2 4.16Å; I242-L265 HydrophobicContact CG1-CB 4.19Å; I242-L265 HydrophobicContact CG1-CD2 3.91Å; E245-L265 HydrophobicContact CB-CD2 4.2Å; E245-L265 HydrophobicContact CG-CD1 3.92Å; E245-L265 HydrophobicContact CG-CD2 3.77Å; I261-L265 HydrophobicContact CD1-CD1 3.78Å; I261-L265 HydrophobicContact CG1-CD1 3.94Å; I261-L265 WeakPolarHBondContact O-CD1 3.15Å; I261-L265 PolarHBondContact O-N 3.13Å; I261-L265 VanDerWaalsContact O-N 3.11Å; V262-L265 PolarHBondContact O-N 3.22Å; V262-L265 VanDerWaalsContact O-N 3.11Å; V263-L265 VanDerWaalsContact C-N 3.33Å; V263-L265 PolarHBondContact O-N 3.21Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 3.06Å; L265-L269 HydrophobicContact CB-CD1 4.14Å; L265-L269 HydrophobicContact CD2-CD1 3.99Å; L265-L269 HydrophobicContact CG-CD1 3.91Å; L265-L269 WeakPolarHBondContact O-CA 3.42Å; L265-L269 WeakPolarHBondContact O-CB 3.45Å; L265-L269 PolarHBondContact O-N 3.47Å
266	E	97.6	Very high	96.6	Very high	30 Å²	30	41.4 Å²	41.4	14%	0.14	22%	0.217	C	C	.	.	I	π-helix	trans	-69.2	-26.5	176.9	-68.1	171.7	163.5	0	0	111.9	V262 V263 I270 S271 R306 V307	V262-E266 HydrophobicContact CG1-CG 4.28Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.34Å; V262-E266 WeakPolarHBondContact O-CG 3.47Å; V262-E266 PolarHBondContact O-N 2.78Å; V263-E266 PolarHBondContact O-N 2.86Å; E266-I270 HydrophobicContact CG-CD1 4.11Å; E266-I270 WeakPolarHBondContact O-CB 3.11Å; E266-S271 WeakPolarHBondContact O-CB 3.32Å; E266-S271 PolarHBondContact O-N 2.97Å; E266-S271 PolarHBondContact O-OG 3.02Å; E266-R306 HydrophobicContact CG-CB 4.25Å; E266-R306 WeakPolarHBondContact OE1-CB 3.49Å; E266-R306 VanDerWaalsContact OE1-CD 3.27Å; E266-R306 WeakPolarHBondContact OE1-CD 3.43Å; E266-R306 IonicContact OE1-CZ 2.67Å; E266-R306 IonicContact OE1-NE 3.22Å; E266-R306 IonicContact OE1-NH1 3.91Å; E266-R306 PolarHBondContact OE1-NH1 3.47Å; E266-V307 HydrophobicContact CB-CG2 4.44Å
267	E	97.5	Very high	96.5	Very high	63 Å²	63	39.7 Å²	39.7	29%	0.294	21%	0.205	S	C	.	.	I	π-helix	trans	-70	-66.5	166.5	-166.3	-163.4	153.1	0	0	111.5	R214 V263 L265 S271 R272	R214-E267 IonicContact NE-OE2 2.72Å; V263-E267 PolarHBondContact O-N 2.63Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 3.06Å; E267-S271 PolarHBondContact O-N 3.32Å; E267-R272 WeakPolarHBondContact O-CG 3.27Å; E267-R272 PolarHBondContact O-N 3.37Å; E267-R272 VanDerWaalsContact O-N 3.14Å; E267-R272 IonicContact OE1-CZ 3.19Å; E267-R272 IonicContact OE1-NE 2.72Å; E267-R272 PolarHBondContact OE1-NE 2.6Å; E267-R272 IonicContact OE1-NH2 2.89Å; E267-R272 PolarHBondContact OE1-NH2 2.89Å
268	E	97.3	Very high	96.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-80	-21.2	-165.5	-62.5	-71.2	166.1	0	0	115	R214 R218 S221 V264 R272 H273	R214-E268 VanDerWaalsContact CD-OE1 3.24Å; R214-E268 WeakPolarHBondContact CD-OE1 3.38Å; R214-E268 HydrophobicContact CG-CG 3.57Å; R214-E268 WeakPolarHBondContact CG-OE1 3.35Å; R218-E268 VanDerWaalsContact CB-OE2 3.24Å; R218-E268 WeakPolarHBondContact CB-OE2 3.45Å; R218-E268 WeakPolarHBondContact CG-OE2 3.48Å; R218-E268 IonicContact CZ-OE1 3.38Å; R218-E268 IonicContact CZ-OE2 3.24Å; R218-E268 IonicContact NE-OE1 2.72Å; R218-E268 PolarHBondContact NE-OE1 2.98Å; R218-E268 IonicContact NE-OE2 2.68Å; R218-E268 PolarHBondContact NE-OE2 2.67Å; R218-E268 IonicContact NH2-OE1 3.45Å; R218-E268 PolarHBondContact NH2-OE1 2.57Å; R218-E268 IonicContact NH2-OE2 3.66Å; S221-E268 PolarHBondContact OG-O 3.37Å; V264-E268 PolarHBondContact O-N 3.15Å; E268-R272 VanDerWaalsContact CD-CZ 3.41Å; E268-R272 VanDerWaalsContact CD-NE 3.3Å; E268-R272 IonicContact OE1-CZ 3.31Å; E268-R272 IonicContact OE1-NE 3.95Å; E268-R272 PolarHBondContact OE1-NE 2.86Å; E268-R272 IonicContact OE1-NH1 3.14Å; E268-R272 IonicContact OE1-NH2 3.13Å; E268-R272 PolarHBondContact OE1-NH2 3.43Å; E268-R272 VanDerWaalsContact OE2-CD 3.22Å; E268-R272 WeakPolarHBondContact OE2-CD 3.12Å; E268-R272 IonicContact OE2-CZ 3.45Å; E268-R272 VanDerWaalsContact OE2-CZ 3.22Å; E268-R272 IonicContact OE2-NE 2.69Å; E268-R272 PolarHBondContact OE2-NE 3.48Å; E268-R272 VanDerWaalsContact OE2-NE 3.12Å; E268-R272 IonicContact OE2-NH1 2.83Å; E268-R272 PolarHBondContact OE2-NH1 3.04Å; E268-R272 IonicContact OE2-NH2 3.85Å; E268-H273 PolarHBondContact O-CD2 3.41Å
269	L	97	Very high	96.2	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	21%	0.206	C	C	.	.	I	π-helix	trans	-103.5	-22.8	178.9	-55.5	-177.7	0	0	0	113.6	Y217 Y234 V238 R241 L265	Y217-L269 HydrophobicContact CD1-CD1 3.9Å; Y217-L269 HydrophobicContact CD1-CD2 3.97Å; Y217-L269 HydrophobicContact CD1-CG 4.28Å; Y217-L269 HydrophobicContact CE1-CD1 4.4Å; Y217-L269 HydrophobicContact CG-CD1 4.37Å; Y217-L269 HydrophobicContact CG-CD2 4.33Å; Y217-L269 HydrophobicContact CG-CG 4.45Å; Y217-L269 WeakPolarHBondContact O-CD2 3.42Å; Y234-L269 WeakPolarHBondContact CE1-O 3.26Å; Y234-L269 PolarHBondContact OH-O 2.91Å; V238-L269 HydrophobicContact CG1-CB 3.98Å; V238-L269 HydrophobicContact CG1-CD1 4.31Å; V238-L269 HydrophobicContact CG2-CB 3.9Å; V238-L269 HydrophobicContact CG2-CD1 4.47Å; R241-L269 HydrophobicContact CB-CD1 4.1Å; L265-L269 HydrophobicContact CB-CD1 4.14Å; L265-L269 HydrophobicContact CD2-CD1 3.99Å; L265-L269 HydrophobicContact CG-CD1 3.91Å; L265-L269 WeakPolarHBondContact O-CA 3.42Å; L265-L269 WeakPolarHBondContact O-CB 3.45Å; L265-L269 PolarHBondContact O-N 3.47Å
270	I	97	Very high	96	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.192	C	C	.	.	I	π-helix	trans	-118.3	-63.6	-175.6	-52.3	176.8	0	0	0	111.1	V238 I242 E266 R272 H273 M274 V303 L304 R306 V307	V238-I270 HydrophobicContact CG1-CD1 4.15Å; V238-I270 HydrophobicContact CG1-CG1 3.85Å; I242-I270 HydrophobicContact CD1-CD1 4.2Å; E266-I270 HydrophobicContact CG-CD1 4.11Å; E266-I270 WeakPolarHBondContact O-CB 3.11Å; I270-R272 VanDerWaalsContact C-N 3.3Å; I270-R272 PolarHBondContact O-N 2.89Å; I270-H273 PolarHBondContact O-N 3.33Å; I270-H273 VanDerWaalsContact O-N 3.11Å; I270-M274 HydrophobicContact CG2-CE 4.15Å; I270-M274 WeakPolarHBondContact O-CB 3.45Å; I270-M274 PolarHBondContact O-N 3.29Å; I270-V303 HydrophobicContact CD1-CG1 3.58Å; I270-V303 HydrophobicContact CG1-CG1 3.9Å; I270-L304 HydrophobicContact CG2-CD2 3.69Å; I270-R306 HydrophobicContact CD1-CB 4.31Å; I270-V307 HydrophobicContact CB-CG2 4.12Å; I270-V307 HydrophobicContact CG2-CG2 3.74Å
271	S	96.7	Very high	95.4	Very high	48 Å²	48	41.7 Å²	41.7	34%	0.336	22%	0.218	S	C	.	.	I	π-helix	trans	-61.8	-34.7	-169.7	-55.5	0	0	0	0	113.4	E266 E267 M274 V307	E266-S271 WeakPolarHBondContact O-CB 3.32Å; E266-S271 PolarHBondContact O-N 2.97Å; E266-S271 PolarHBondContact O-OG 3.02Å; E267-S271 PolarHBondContact O-N 3.32Å; S271-M274 WeakPolarHBondContact O-CG 3.17Å; S271-V307 WeakPolarHBondContact OG-CG2 3.2Å
272	R	95.6	Very high	95	Very high	114 Å²	114	48.2 Å²	48.2	43%	0.43	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.7	178.6	-68.9	-177.2	-178.5	-138.7	-3.5	114.7	R218 E267 E268 I270	R218-R272 VanDerWaalsContact NE-NH1 3.13Å; E267-R272 WeakPolarHBondContact O-CG 3.27Å; E267-R272 PolarHBondContact O-N 3.37Å; E267-R272 VanDerWaalsContact O-N 3.14Å; E267-R272 IonicContact OE1-CZ 3.19Å; E267-R272 IonicContact OE1-NE 2.72Å; E267-R272 PolarHBondContact OE1-NE 2.6Å; E267-R272 IonicContact OE1-NH2 2.89Å; E267-R272 PolarHBondContact OE1-NH2 2.89Å; E268-R272 VanDerWaalsContact CD-CZ 3.41Å; E268-R272 VanDerWaalsContact CD-NE 3.3Å; E268-R272 IonicContact OE1-CZ 3.31Å; E268-R272 IonicContact OE1-NE 3.95Å; E268-R272 PolarHBondContact OE1-NE 2.86Å; E268-R272 IonicContact OE1-NH1 3.14Å; E268-R272 IonicContact OE1-NH2 3.13Å; E268-R272 PolarHBondContact OE1-NH2 3.43Å; E268-R272 VanDerWaalsContact OE2-CD 3.22Å; E268-R272 WeakPolarHBondContact OE2-CD 3.12Å; E268-R272 IonicContact OE2-CZ 3.45Å; E268-R272 VanDerWaalsContact OE2-CZ 3.22Å; E268-R272 IonicContact OE2-NE 2.69Å; E268-R272 PolarHBondContact OE2-NE 3.48Å; E268-R272 VanDerWaalsContact OE2-NE 3.12Å; E268-R272 IonicContact OE2-NH1 2.83Å; E268-R272 PolarHBondContact OE2-NH1 3.04Å; E268-R272 IonicContact OE2-NH2 3.85Å; I270-R272 VanDerWaalsContact C-N 3.3Å; I270-R272 PolarHBondContact O-N 2.89Å
273	H	94.6	Very high	94.7	Very high	23 Å²	23	48 Å²	48	11%	0.106	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-2.8	-166.9	-61.5	-57.1	0	0	0	113.8	S221 L225 Y234 E268 I270 E275 T276 I277	S221-H273 WeakPolarHBondContact CB-NE2 3.35Å; S221-H273 PolarHBondContact OG-CD2 3.06Å; S221-H273 PolarHBondContact OG-NE2 3.24Å; L225-H273 HydrophobicContact CD1-CB 4.08Å; L225-H273 WeakPolarHBondContact CD1-ND1 3.46Å; Y234-H273 PolarHBondContact OH-CD2 3.03Å; E268-H273 PolarHBondContact O-CD2 3.41Å; I270-H273 PolarHBondContact O-N 3.33Å; I270-H273 VanDerWaalsContact O-N 3.11Å; H273-E275 PolarHBondContact O-N 3.38Å; H273-T276 WeakPolarHBondContact O-CA 3.46Å; H273-T276 VanDerWaalsContact O-CB 3.31Å; H273-T276 WeakPolarHBondContact O-CB 3.48Å; H273-T276 PolarHBondContact O-N 2.9Å; H273-I277 HydrophobicContact CB-CD1 3.67Å; H273-I277 HydrophobicContact CB-CG1 4.18Å; H273-I277 VanDerWaalsContact O-CD1 3.32Å; H273-I277 WeakPolarHBondContact O-CD1 3.37Å; H273-I277 VanDerWaalsContact O-CG1 3.23Å; H273-I277 WeakPolarHBondContact O-CG1 3.36Å; H273-I277 PolarHBondContact O-N 2.97Å
274	M	93.2	Very high	94.5	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-43.3	-174.3	43.4	174.7	38	0	0	114.1	I270 S271 V278 L304 V307 E309 I313	I270-M274 HydrophobicContact CG2-CE 4.15Å; I270-M274 WeakPolarHBondContact O-CB 3.45Å; I270-M274 PolarHBondContact O-N 3.29Å; S271-M274 WeakPolarHBondContact O-CG 3.17Å; M274-V278 WeakPolarHBondContact O-CB 3.43Å; M274-V278 WeakPolarHBondContact O-CG2 3.31Å; M274-V278 PolarHBondContact O-N 3.4Å; M274-L304 HydrophobicContact CB-CD2 4.17Å; M274-V307 HydrophobicContact CE-CB 3.69Å; M274-V307 HydrophobicContact CE-CG1 3.61Å; M274-V307 HydrophobicContact CE-CG2 4.25Å; M274-E309 HydrophobicContact SD-CB 4.21Å; M274-I313 HydrophobicContact CB-CD1 4.4Å; M274-I313 HydrophobicContact CG-CD1 3.87Å; M274-I313 HydrophobicContact SD-CD1 3.33Å; M274-I313 WeakPolarHBondContact SD-CD1 3.46Å
275	E	94.1	Very high	94.4	Very high	129 Å²	129	43.4 Å²	43.4	60%	0.603	22%	0.224	S	C	*	.	H	α-helix	trans	-66.6	-42	175.1	-66.3	-164.1	168.6	0	0	111.9	H273 I277 V278 G279 I313	H273-E275 PolarHBondContact O-N 3.38Å; E275-I277 PolarHBondContact O-N 3.47Å; E275-V278 PolarHBondContact O-N 3.01Å; E275-G279 WeakPolarHBondContact O-CA 3.41Å; E275-G279 PolarHBondContact O-N 2.92Å; E275-I313 HydrophobicContact CG-CD1 4.02Å; E275-I313 HydrophobicContact CG-CG2 4.4Å
276	T	93.3	Very high	94.2	Very high	80 Å²	80	46.2 Å²	46.2	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-57.9	-48.8	176.4	-44	0	0	0	0	111.8	H273 G279 M280	H273-T276 WeakPolarHBondContact O-CA 3.46Å; H273-T276 VanDerWaalsContact O-CB 3.31Å; H273-T276 WeakPolarHBondContact O-CB 3.48Å; H273-T276 PolarHBondContact O-N 2.9Å; T276-G279 PolarHBondContact O-N 2.8Å; T276-M280 WeakPolarHBondContact O-CG 3.14Å; T276-M280 PolarHBondContact O-N 3.18Å
277	I	93.6	Very high	94.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-41	-176.8	-60.5	153.5	0	0	0	111.3	A231 Y234 I235 H273 E275 M300	A231-I277 HydrophobicContact CB-CG2 3.94Å; Y234-I277 HydrophobicContact CD1-CD1 3.52Å; Y234-I277 HydrophobicContact CD1-CG1 3.87Å; Y234-I277 HydrophobicContact CD1-CG2 4.5Å; Y234-I277 HydrophobicContact CE1-CD1 3.21Å; Y234-I277 HydrophobicContact CE1-CG1 3.97Å; Y234-I277 HydrophobicContact CG-CD1 4.44Å; Y234-I277 HydrophobicContact CG-CG1 4.38Å; I235-I277 HydrophobicContact CD1-CG2 4.11Å; I235-I277 HydrophobicContact CG1-CG2 4.18Å; H273-I277 HydrophobicContact CB-CD1 3.67Å; H273-I277 HydrophobicContact CB-CG1 4.18Å; H273-I277 VanDerWaalsContact O-CD1 3.32Å; H273-I277 WeakPolarHBondContact O-CD1 3.37Å; H273-I277 VanDerWaalsContact O-CG1 3.23Å; H273-I277 WeakPolarHBondContact O-CG1 3.36Å; H273-I277 PolarHBondContact O-N 2.97Å; E275-I277 PolarHBondContact O-N 3.47Å; I277-M300 HydrophobicContact CG2-CE 4.34Å
278	V	94.7	Very high	94	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.9	-35.2	178.2	174.4	0	0	0	0	110.9	M274 E275 L285 M300 L304 I313 M314 Y317	M274-V278 WeakPolarHBondContact O-CB 3.43Å; M274-V278 WeakPolarHBondContact O-CG2 3.31Å; M274-V278 PolarHBondContact O-N 3.4Å; E275-V278 PolarHBondContact O-N 3.01Å; V278-L285 HydrophobicContact CG1-CB 3.75Å; V278-L285 HydrophobicContact CG1-CD2 3.89Å; V278-L285 HydrophobicContact CG1-CG 4.48Å; V278-L285 PolarHBondContact O-N 3.5Å; V278-M300 HydrophobicContact CG2-SD 4.02Å; V278-L304 HydrophobicContact CG2-CD1 3.42Å; V278-L304 VanDerWaalsContact CG2-CD1 3.42Å; V278-I313 HydrophobicContact CB-CG2 4.34Å; V278-I313 HydrophobicContact CG1-CG2 4.28Å; V278-I313 HydrophobicContact CG2-CG2 4.28Å; V278-M314 HydrophobicContact CG2-CG 4.47Å; V278-Y317 HydrophobicContact CB-CD2 4.42Å; V278-Y317 HydrophobicContact CB-CE2 4.43Å; V278-Y317 HydrophobicContact CG1-CD1 3.96Å; V278-Y317 HydrophobicContact CG1-CD2 3.36Å; V278-Y317 HydrophobicContact CG1-CE1 4.33Å; V278-Y317 HydrophobicContact CG1-CE2 3.79Å; V278-Y317 HydrophobicContact CG1-CG 3.44Å; V278-Y317 VanDerWaalsContact CG1-CG 3.44Å
279	G	93.4	Very high	93.9	Very high	31 Å²	31	46.1 Å²	46.1	32%	0.32	24%	0.238	S	C	.	.	H	α-helix	trans	-89.6	-0	-175.5	0	0	0	0	0	117	E275 T276 E281	E275-G279 WeakPolarHBondContact O-CA 3.41Å; E275-G279 PolarHBondContact O-N 2.92Å; T276-G279 PolarHBondContact O-N 2.8Å; G279-E281 PolarHBondContact O-N 3.3Å
280	M	92.5	Very high	93.7	Very high	43 Å²	43	49.2 Å²	49.2	21%	0.212	26%	0.258	C	S	.	.			trans	-57.5	127.3	179.6	-56.3	-172.2	75.5	0	0	111.6	A231 T276 G284	A231-M280 HydrophobicContact CB-SD 3.94Å; T276-M280 WeakPolarHBondContact O-CG 3.14Å; T276-M280 PolarHBondContact O-N 3.18Å; M280-G284 WeakPolarHBondContact O-CA 3.33Å; M280-G284 PolarHBondContact O-N 3.06Å
281	E	85.8	Confident	93.6	Very high	177 Å²	177	53.6 Å²	53.6	83%	0.827	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-52.4	-171.7	-59.3	-173	149.5	0	0	112.7	G279	G279-E281 PolarHBondContact O-N 3.3Å
282	D	88.4	Confident	93.4	Very high	137 Å²	137	55.6 Å²	55.6	73%	0.733	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	3	-175.4	-67	-47.1	0	0	0	115.1	Y287	D282-Y287 WeakPolarHBondContact O-CD2 3.28Å
283	S	92.8	Very high	93.4	Very high	16 Å²	16	53.7 Å²	53.7	11%	0.112	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.7	-4.2	179.2	67.3	0	0	0	0	117	S230 A231 M288	S230-S283 WeakPolarHBondContact CA-OG 3.33Å; A231-S283 WeakPolarHBondContact CB-O 3.24Å; A231-S283 PolarHBondContact N-OG 3.34Å; A231-S283 VanDerWaalsContact N-OG 3.08Å; S283-M288 WeakPolarHBondContact O-CE 3.17Å
284	G	93.4	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-74.3	-170.2	179.9	0	0	0	0	0	112.9	M280 T286 Y287 M288	M280-G284 WeakPolarHBondContact O-CA 3.33Å; M280-G284 PolarHBondContact O-N 3.06Å; G284-T286 VanDerWaalsContact C-N 3.31Å; G284-T286 PolarHBondContact O-N 2.7Å; G284-Y287 WeakPolarHBondContact O-CB 3.45Å; G284-Y287 PolarHBondContact O-N 2.73Å; G284-M288 WeakPolarHBondContact O-CG 3.42Å; G284-M288 PolarHBondContact O-N 3.1Å
285	L	95.8	Very high	93.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-37.5	-170.9	-175.2	53	0	0	0	112.5	V278 Y287 M288 L289 I297 M300 M314 I318	V278-L285 HydrophobicContact CG1-CB 3.75Å; V278-L285 HydrophobicContact CG1-CD2 3.89Å; V278-L285 HydrophobicContact CG1-CG 4.48Å; V278-L285 PolarHBondContact O-N 3.5Å; L285-Y287 PolarHBondContact O-N 3.08Å; L285-M288 PolarHBondContact O-N 2.9Å; L285-L289 HydrophobicContact CD1-CD1 4.18Å; L285-L289 HydrophobicContact CD1-CG 4.12Å; L285-L289 HydrophobicContact CG-CD1 3.94Å; L285-L289 HydrophobicContact CG-CG 4.38Å; L285-L289 VanDerWaalsContact O-CB 3.32Å; L285-L289 WeakPolarHBondContact O-CB 3.41Å; L285-L289 WeakPolarHBondContact O-CD1 3.43Å; L285-L289 WeakPolarHBondContact O-CG 3.39Å; L285-L289 PolarHBondContact O-N 3.33Å; L285-I297 HydrophobicContact CD1-CB 4.41Å; L285-I297 HydrophobicContact CD1-CD1 4.06Å; L285-I297 HydrophobicContact CD1-CG1 3.84Å; L285-I297 HydrophobicContact CD1-CG2 3.87Å; L285-M300 HydrophobicContact CB-SD 4.15Å; L285-M300 HydrophobicContact CD1-SD 4.31Å; L285-M314 HydrophobicContact CD1-CE 4.1Å; L285-M314 HydrophobicContact CD2-CB 4.01Å; L285-M314 HydrophobicContact CD2-CE 3.9Å; L285-M314 HydrophobicContact CD2-CG 4.05Å; L285-I318 HydrophobicContact CD2-CD1 4.48Å; L285-I318 HydrophobicContact CD2-CG1 4.1Å
286	T	93.8	Very high	93.5	Very high	60 Å²	60	52.6 Å²	52.6	37%	0.368	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.1	-55.6	0	0	0	0	112	G284 T290 Y321	G284-T286 VanDerWaalsContact C-N 3.31Å; G284-T286 PolarHBondContact O-N 2.7Å; T286-T290 WeakPolarHBondContact O-CB 3.47Å; T286-T290 PolarHBondContact O-N 2.86Å; T286-T290 VanDerWaalsContact O-N 3.1Å; T286-T290 PolarHBondContact O-OG1 3.32Å; T286-Y321 HydrophobicContact CG2-CD2 4.23Å
287	Y	95.2	Very high	93.7	Very high	83 Å²	83	48.8 Å²	48.8	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-47.2	174.1	179.4	-82.4	0	0	0	111.1	D282 G284 L285 L289 T290 H291	D282-Y287 WeakPolarHBondContact O-CD2 3.28Å; G284-Y287 WeakPolarHBondContact O-CB 3.45Å; G284-Y287 PolarHBondContact O-N 2.73Å; L285-Y287 PolarHBondContact O-N 3.08Å; Y287-L289 VanDerWaalsContact C-N 3.32Å; Y287-L289 PolarHBondContact O-N 3.08Å; Y287-T290 PolarHBondContact O-N 3.49Å; Y287-T290 VanDerWaalsContact O-N 3.15Å; Y287-H291 AromaticContact CD1-ND1 3.78Å; Y287-H291 AromaticContact CD2-CE1 3.66Å; Y287-H291 AromaticContact CD2-ND1 3.86Å; Y287-H291 AromaticContact CE1-ND1 3.6Å; Y287-H291 AromaticContact CE2-CE1 3.32Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.38Å; Y287-H291 AromaticContact CE2-ND1 3.71Å; Y287-H291 AromaticContact CG-ND1 3.89Å; Y287-H291 AromaticContact CZ-CE1 3.53Å; Y287-H291 AromaticContact CZ-ND1 3.56Å; Y287-H291 PolarHBondContact O-N 3.45Å; Y287-H291 PolarHBondContact O-ND1 2.99Å
288	M	95.8	Very high	93.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-39.1	179.7	-64.3	-177.9	-172.1	0	0	112.5	A231 S232 S283 G284 L285 T290 H291 D292 H293 D296 I297 M300	A231-M288 HydrophobicContact CB-CE 4Å; S232-M288 VanDerWaalsContact OG-CE 3.27Å; S232-M288 WeakPolarHBondContact OG-CE 3.17Å; S283-M288 WeakPolarHBondContact O-CE 3.17Å; G284-M288 WeakPolarHBondContact O-CG 3.42Å; G284-M288 PolarHBondContact O-N 3.1Å; L285-M288 PolarHBondContact O-N 2.9Å; M288-T290 VanDerWaalsContact C-N 3.34Å; M288-H291 PolarHBondContact O-N 3.15Å; M288-D292 PolarHBondContact O-N 3.04Å; M288-H293 HydrophobicContact CB-CB 4.04Å; M288-H293 HydrophobicContact CG-CB 4.34Å; M288-H293 PolarHBondContact O-N 3.14Å; M288-D296 HydrophobicContact CE-CB 3.96Å; M288-D296 HydrophobicContact CG-CB 4.42Å; M288-D296 HydrophobicContact SD-CB 3.65Å; M288-I297 HydrophobicContact CB-CD1 3.92Å; M288-I297 HydrophobicContact CB-CG1 3.61Å; M288-I297 HydrophobicContact CG-CG1 4.4Å; M288-I297 HydrophobicContact SD-CG1 3.95Å; M288-M300 HydrophobicContact CE-CE 3.57Å; M288-M300 HydrophobicContact SD-CE 3.89Å
289	L	95.3	Very high	93.9	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-29.6	176.3	-74.5	167.6	0	0	0	113.2	L285 Y287 H291 I297 I318 Y321 L355	L285-L289 HydrophobicContact CD1-CD1 4.18Å; L285-L289 HydrophobicContact CD1-CG 4.12Å; L285-L289 HydrophobicContact CG-CD1 3.94Å; L285-L289 HydrophobicContact CG-CG 4.38Å; L285-L289 VanDerWaalsContact O-CB 3.32Å; L285-L289 WeakPolarHBondContact O-CB 3.41Å; L285-L289 WeakPolarHBondContact O-CD1 3.43Å; L285-L289 WeakPolarHBondContact O-CG 3.39Å; L285-L289 PolarHBondContact O-N 3.33Å; Y287-L289 VanDerWaalsContact C-N 3.32Å; Y287-L289 PolarHBondContact O-N 3.08Å; L289-H291 VanDerWaalsContact C-N 3.32Å; L289-I297 HydrophobicContact CD2-CD1 3.74Å; L289-I297 HydrophobicContact CG-CD1 3.99Å; L289-I318 HydrophobicContact CD1-CG1 4.03Å; L289-Y321 HydrophobicContact CB-CD1 3.82Å; L289-Y321 HydrophobicContact CB-CD2 4.27Å; L289-Y321 HydrophobicContact CB-CE1 3.74Å; L289-Y321 HydrophobicContact CB-CE2 4.2Å; L289-Y321 HydrophobicContact CB-CG 4.08Å; L289-Y321 HydrophobicContact CD1-CD1 3.9Å; L289-Y321 HydrophobicContact CD1-CG 3.98Å; L289-Y321 HydrophobicContact CD2-CD1 4.49Å; L289-Y321 HydrophobicContact CG-CD1 4.3Å; L289-Y321 PolarHBondContact O-OH 2.78Å; L289-L355 HydrophobicContact CD2-CD1 3.68Å; L289-L355 HydrophobicContact CD2-CD2 3.52Å; L289-L355 HydrophobicContact CD2-CG 4.25Å
290	T	93.6	Very high	94.1	Very high	71 Å²	71	51.1 Å²	51.1	44%	0.436	28%	0.279	S	S	.	.	H	α-helix	trans	-76.5	-20.9	179.1	-56.4	0	0	0	0	112.4	T286 Y287 M288 Y321	T286-T290 WeakPolarHBondContact O-CB 3.47Å; T286-T290 PolarHBondContact O-N 2.86Å; T286-T290 VanDerWaalsContact O-N 3.1Å; T286-T290 PolarHBondContact O-OG1 3.32Å; Y287-T290 PolarHBondContact O-N 3.49Å; Y287-T290 VanDerWaalsContact O-N 3.15Å; M288-T290 VanDerWaalsContact C-N 3.34Å; T290-Y321 WeakPolarHBondContact OG1-CE2 3.32Å
291	H	93.8	Very high	94.3	Very high	92 Å²	92	50 Å²	50	43%	0.426	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	10.4	-175.6	-59.8	96.2	0	0	0	113.9	Y287 M288 L289 H293	Y287-H291 AromaticContact CD1-ND1 3.78Å; Y287-H291 AromaticContact CD2-CE1 3.66Å; Y287-H291 AromaticContact CD2-ND1 3.86Å; Y287-H291 AromaticContact CE1-ND1 3.6Å; Y287-H291 AromaticContact CE2-CE1 3.32Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.38Å; Y287-H291 AromaticContact CE2-ND1 3.71Å; Y287-H291 AromaticContact CG-ND1 3.89Å; Y287-H291 AromaticContact CZ-CE1 3.53Å; Y287-H291 AromaticContact CZ-ND1 3.56Å; Y287-H291 PolarHBondContact O-N 3.45Å; Y287-H291 PolarHBondContact O-ND1 2.99Å; M288-H291 PolarHBondContact O-N 3.15Å; L289-H291 VanDerWaalsContact C-N 3.32Å; H291-H293 VanDerWaalsContact C-N 3.28Å; H291-H293 PolarHBondContact O-CD2 2.83Å; H291-H293 PolarHBondContact O-N 3.39Å
292	D	92.8	Very high	94.8	Very high	90 Å²	90	43.6 Å²	43.6	48%	0.481	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	33.1	-177.2	-63.5	-47.1	0	0	0	114.9	M288 F294	M288-D292 PolarHBondContact O-N 3.04Å; D292-F294 HydrophobicContact CB-CE2 3.99Å; D292-F294 HydrophobicContact CB-CZ 4Å; D292-F294 PolarHBondContact O-N 3.24Å; D292-F294 WeakPolarHBondContact OD1-CZ 3.31Å
293	H	94.8	Very high	95.2	Very high	74 Å²	74	37.4 Å²	37.4	34%	0.343	22%	0.221	S	C	.	.			trans	-73.9	53.8	178.3	-82.4	-142.5	0	0	0	112.8	M288 H291 S295 D296 I297	M288-H293 HydrophobicContact CB-CB 4.04Å; M288-H293 HydrophobicContact CG-CB 4.34Å; M288-H293 PolarHBondContact O-N 3.14Å; H291-H293 VanDerWaalsContact C-N 3.28Å; H291-H293 PolarHBondContact O-CD2 2.83Å; H291-H293 PolarHBondContact O-N 3.39Å; H293-S295 PolarHBondContact O-N 3.09Å; H293-S295 VanDerWaalsContact O-N 3.1Å; H293-D296 HydrophobicContact CB-CB 4.33Å; H293-D296 IonicContact ND1-OD2 3.5Å; H293-D296 PolarHBondContact O-N 2.82Å; H293-I297 PolarHBondContact O-N 3.39Å
294	F	94.4	Very high	95.3	Very high	15 Å²	15	36.7 Å²	36.7	7%	0.066	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-26.9	-174.5	-57.9	-47.7	0	0	0	114.2	D292 D296 I297 A298 E354 L355 A359	D292-F294 HydrophobicContact CB-CE2 3.99Å; D292-F294 HydrophobicContact CB-CZ 4Å; D292-F294 PolarHBondContact O-N 3.24Å; D292-F294 WeakPolarHBondContact OD1-CZ 3.31Å; F294-D296 VanDerWaalsContact C-N 3.32Å; F294-D296 PolarHBondContact O-N 2.81Å; F294-I297 HydrophobicContact CD1-CD1 4.37Å; F294-A298 VanDerWaalsContact O-CB 3.28Å; F294-A298 WeakPolarHBondContact O-CB 3.37Å; F294-A298 PolarHBondContact O-N 3.43Å; F294-E354 HydrophobicContact CE2-CB 4.29Å; F294-E354 HydrophobicContact CZ-CB 4.45Å; F294-L355 HydrophobicContact CD1-CB 4.35Å; F294-L355 HydrophobicContact CD1-CD1 3.88Å; F294-L355 HydrophobicContact CE1-CB 3.9Å; F294-L355 HydrophobicContact CE1-CD1 3.99Å; F294-A359 HydrophobicContact CB-CB 4.35Å; F294-A359 WeakPolarHBondContact O-CB 3.37Å
295	S	95.3	Very high	95.5	Very high	85 Å²	85	39 Å²	39	59%	0.594	23%	0.232	S	C	*	.	H	α-helix	trans	-61.4	-39.5	173.1	50.3	0	0	0	0	113	H293 A298 A299	H293-S295 PolarHBondContact O-N 3.09Å; H293-S295 VanDerWaalsContact O-N 3.1Å; S295-A298 PolarHBondContact O-N 3.32Å; S295-A299 PolarHBondContact O-N 3.36Å
296	D	95	Very high	95.5	Very high	41 Å²	41	44.7 Å²	44.7	22%	0.219	25%	0.254	C	S	.	.	H	α-helix	trans	-83.6	-35.8	-172.5	-65.1	22.8	0	0	0	109.2	S232 M288 H293 F294 A298 A299 M300	S232-D296 WeakPolarHBondContact CB-OD2 3.37Å; S232-D296 PolarHBondContact OG-OD2 3.08Å; M288-D296 HydrophobicContact CE-CB 3.96Å; M288-D296 HydrophobicContact CG-CB 4.42Å; M288-D296 HydrophobicContact SD-CB 3.65Å; H293-D296 HydrophobicContact CB-CB 4.33Å; H293-D296 IonicContact ND1-OD2 3.5Å; H293-D296 PolarHBondContact O-N 2.82Å; F294-D296 VanDerWaalsContact C-N 3.32Å; F294-D296 PolarHBondContact O-N 2.81Å; D296-A298 VanDerWaalsContact C-N 3.33Å; D296-A299 PolarHBondContact O-N 3.2Å; D296-M300 VanDerWaalsContact O-CB 3.31Å; D296-M300 WeakPolarHBondContact O-CB 3.31Å; D296-M300 PolarHBondContact O-N 3.16Å
297	I	97	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-40.6	167.9	-56	176.8	0	0	0	110.6	L285 M288 L289 H293 F294 M300 Y301 M314 L355 A359 L360	L285-I297 HydrophobicContact CD1-CB 4.41Å; L285-I297 HydrophobicContact CD1-CD1 4.06Å; L285-I297 HydrophobicContact CD1-CG1 3.84Å; L285-I297 HydrophobicContact CD1-CG2 3.87Å; M288-I297 HydrophobicContact CB-CD1 3.92Å; M288-I297 HydrophobicContact CB-CG1 3.61Å; M288-I297 HydrophobicContact CG-CG1 4.4Å; M288-I297 HydrophobicContact SD-CG1 3.95Å; L289-I297 HydrophobicContact CD2-CD1 3.74Å; L289-I297 HydrophobicContact CG-CD1 3.99Å; H293-I297 PolarHBondContact O-N 3.39Å; F294-I297 HydrophobicContact CD1-CD1 4.37Å; I297-M300 PolarHBondContact O-N 3.2Å; I297-Y301 WeakPolarHBondContact O-CB 3.18Å; I297-Y301 PolarHBondContact O-N 2.8Å; I297-M314 HydrophobicContact CG2-CE 4Å; I297-L355 HydrophobicContact CD1-CD1 3.75Å; I297-L355 HydrophobicContact CG2-CD1 4.09Å; I297-A359 HydrophobicContact CB-CB 3.96Å; I297-A359 HydrophobicContact CG2-CB 3.84Å; I297-L360 HydrophobicContact CG2-CD2 4.03Å
298	A	97	Very high	95.4	Very high	34 Å²	34	46.1 Å²	46.1	28%	0.281	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-41.7	175.6	0	0	0	0	0	112.1	F294 S295 D296 G302 A359	F294-A298 VanDerWaalsContact O-CB 3.28Å; F294-A298 WeakPolarHBondContact O-CB 3.37Å; F294-A298 PolarHBondContact O-N 3.43Å; S295-A298 PolarHBondContact O-N 3.32Å; D296-A298 VanDerWaalsContact C-N 3.33Å; A298-G302 PolarHBondContact O-N 3.18Å; A298-A359 HydrophobicContact CB-CB 4.15Å
299	A	96.3	Very high	95.4	Very high	48 Å²	48	50.3 Å²	50.3	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-42.7	174.9	0	0	0	0	0	111.7	I235 S295 D296 G302 V303	I235-A299 VanDerWaalsContact CG2-C 3.49Å; I235-A299 HydrophobicContact CG2-CB 3.96Å; I235-A299 WeakPolarHBondContact CG2-O 3.32Å; S295-A299 PolarHBondContact O-N 3.36Å; D296-A299 PolarHBondContact O-N 3.2Å; A299-G302 PolarHBondContact O-N 2.98Å; A299-V303 PolarHBondContact O-N 3.46Å
300	M	96.7	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-51	176.2	-177.5	-177.3	-72	0	0	110.5	A231 I235 I277 V278 L285 M288 D296 I297 G302 V303 L304 M314	A231-M300 HydrophobicContact CB-CE 4.13Å; I235-M300 HydrophobicContact CD1-CB 4.42Å; I235-M300 HydrophobicContact CD1-CG 4.15Å; I235-M300 HydrophobicContact CG1-CB 4.28Å; I235-M300 HydrophobicContact CG1-CG 4.34Å; I277-M300 HydrophobicContact CG2-CE 4.34Å; V278-M300 HydrophobicContact CG2-SD 4.02Å; L285-M300 HydrophobicContact CB-SD 4.15Å; L285-M300 HydrophobicContact CD1-SD 4.31Å; M288-M300 HydrophobicContact CE-CE 3.57Å; M288-M300 HydrophobicContact SD-CE 3.89Å; D296-M300 VanDerWaalsContact O-CB 3.31Å; D296-M300 WeakPolarHBondContact O-CB 3.31Å; D296-M300 PolarHBondContact O-N 3.16Å; I297-M300 PolarHBondContact O-N 3.2Å; M300-G302 VanDerWaalsContact C-N 3.33Å; M300-G302 PolarHBondContact O-N 2.64Å; M300-V303 PolarHBondContact O-N 2.91Å; M300-V303 VanDerWaalsContact O-N 3.09Å; M300-L304 HydrophobicContact CG-CD1 3.64Å; M300-L304 HydrophobicContact CG-CG 4.03Å; M300-L304 WeakPolarHBondContact O-CG 3.38Å; M300-L304 PolarHBondContact O-N 2.68Å; M300-L304 HydrophobicContact SD-CD1 4.2Å; M300-M314 HydrophobicContact CB-CE 4.39Å; M300-M314 HydrophobicContact CG-CE 4.08Å; M300-M314 HydrophobicContact CG-SD 4.39Å; M300-M314 HydrophobicContact SD-CE 4.03Å
301	Y	97.2	Very high	95.5	Very high	19 Å²	19	47.6 Å²	47.6	8%	0.075	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-43.2	175.9	176.9	-106.5	0	0	0	111.9	I297 V303 L304 S305 P311 M314 L360 N361 Q363 F366	I297-Y301 WeakPolarHBondContact O-CB 3.18Å; I297-Y301 PolarHBondContact O-N 2.8Å; Y301-V303 PolarHBondContact O-N 2.93Å; Y301-V303 VanDerWaalsContact O-N 3.16Å; Y301-L304 PolarHBondContact O-N 3.48Å; Y301-S305 WeakPolarHBondContact O-CB 3.27Å; Y301-S305 PolarHBondContact O-N 3.29Å; Y301-S305 PolarHBondContact O-OG 3.1Å; Y301-P311 HydrophobicContact CE2-CB 4.46Å; Y301-P311 HydrophobicContact CE2-CG 4.27Å; Y301-M314 HydrophobicContact CD2-SD 3.99Å; Y301-M314 HydrophobicContact CG-SD 4.5Å; Y301-L360 HydrophobicContact CD2-CD2 4.34Å; Y301-L360 HydrophobicContact CG-CD2 4.2Å; Y301-N361 HydrophobicContact CE1-CB 4.45Å; Y301-Q363 WeakPolarHBondContact OH-CG 3.46Å; Y301-F366 AromaticContact CD2-CE2 3.85Å; Y301-F366 HydrophobicContact CD2-CE2 3.85Å; Y301-F366 AromaticContact CD2-CZ 3.88Å; Y301-F366 HydrophobicContact CD2-CZ 3.88Å; Y301-F366 AromaticContact CE2-CE2 3.59Å; Y301-F366 HydrophobicContact CE2-CE2 3.59Å; Y301-F366 AromaticContact CE2-CZ 3.86Å; Y301-F366 HydrophobicContact CE2-CZ 3.86Å
302	G	96	Very high	95.6	Very high	43 Å²	43	46.5 Å²	46.5	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-12.8	176.7	0	0	0	0	0	115.7	A298 A299 M300	A298-G302 PolarHBondContact O-N 3.18Å; A299-G302 PolarHBondContact O-N 2.98Å; M300-G302 VanDerWaalsContact C-N 3.33Å; M300-G302 PolarHBondContact O-N 2.64Å
303	V	96.5	Very high	95.8	Very high	6 Å²	6	43 Å²	43	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-100.4	-51.1	170.4	171.4	0	0	0	0	110.6	I235 V238 K239 I270 A299 M300 Y301 S305 R306	I235-V303 HydrophobicContact CD1-CB 4.09Å; I235-V303 HydrophobicContact CD1-CG1 4.05Å; I235-V303 HydrophobicContact CG2-CB 4.36Å; I235-V303 HydrophobicContact CG2-CG2 3.9Å; V238-V303 HydrophobicContact CB-CG1 4.41Å; V238-V303 HydrophobicContact CG1-CG1 3.87Å; K239-V303 HydrophobicContact CB-CG2 4.27Å; I270-V303 HydrophobicContact CD1-CG1 3.58Å; I270-V303 HydrophobicContact CG1-CG1 3.9Å; A299-V303 PolarHBondContact O-N 3.46Å; M300-V303 PolarHBondContact O-N 2.91Å; M300-V303 VanDerWaalsContact O-N 3.09Å; Y301-V303 PolarHBondContact O-N 2.93Å; Y301-V303 VanDerWaalsContact O-N 3.16Å; V303-S305 VanDerWaalsContact C-N 3.31Å; V303-S305 PolarHBondContact O-N 3.31Å; V303-R306 VanDerWaalsContact O-CB 3.31Å; V303-R306 WeakPolarHBondContact O-CB 3.28Å; V303-R306 WeakPolarHBondContact O-CG 3.42Å; V303-R306 PolarHBondContact O-N 2.92Å
304	L	96.5	Very high	95.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-29.6	-176	-61.7	-171.7	0	0	0	113.1	I270 M274 V278 M300 Y301 R306 V307 M314	I270-L304 HydrophobicContact CG2-CD2 3.69Å; M274-L304 HydrophobicContact CB-CD2 4.17Å; V278-L304 HydrophobicContact CG2-CD1 3.42Å; V278-L304 VanDerWaalsContact CG2-CD1 3.42Å; M300-L304 HydrophobicContact CG-CD1 3.64Å; M300-L304 HydrophobicContact CG-CG 4.03Å; M300-L304 WeakPolarHBondContact O-CG 3.38Å; M300-L304 PolarHBondContact O-N 2.68Å; M300-L304 HydrophobicContact SD-CD1 4.2Å; Y301-L304 PolarHBondContact O-N 3.48Å; L304-R306 PolarHBondContact O-N 3.02Å; L304-R306 VanDerWaalsContact O-N 3.08Å; L304-V307 PolarHBondContact O-N 3.37Å; L304-V307 VanDerWaalsContact O-N 3.08Å; L304-M314 HydrophobicContact CB-SD 4.26Å; L304-M314 HydrophobicContact CD1-CG 3.77Å; L304-M314 HydrophobicContact CD1-SD 3.91Å
305	S	96.3	Very high	96	Very high	49 Å²	49	38.9 Å²	38.9	34%	0.343	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-4.3	176	57.3	0	0	0	0	115.3	Y301 V303 V307	Y301-S305 WeakPolarHBondContact O-CB 3.27Å; Y301-S305 PolarHBondContact O-N 3.29Å; Y301-S305 PolarHBondContact O-OG 3.1Å; V303-S305 VanDerWaalsContact C-N 3.31Å; V303-S305 PolarHBondContact O-N 3.31Å; S305-V307 VanDerWaalsContact C-N 3.28Å
306	R	95.6	Very high	96.1	Very high	119 Å²	119	39.3 Å²	39.3	45%	0.449	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.9	168.2	-69.3	173	165.1	-81.5	-6.2	113.1	E266 I270 V303 L304	E266-R306 HydrophobicContact CG-CB 4.25Å; E266-R306 WeakPolarHBondContact OE1-CB 3.49Å; E266-R306 VanDerWaalsContact OE1-CD 3.27Å; E266-R306 WeakPolarHBondContact OE1-CD 3.43Å; E266-R306 IonicContact OE1-CZ 2.67Å; E266-R306 IonicContact OE1-NE 3.22Å; E266-R306 IonicContact OE1-NH1 3.91Å; E266-R306 PolarHBondContact OE1-NH1 3.47Å; I270-R306 HydrophobicContact CD1-CB 4.31Å; V303-R306 VanDerWaalsContact O-CB 3.31Å; V303-R306 WeakPolarHBondContact O-CB 3.28Å; V303-R306 WeakPolarHBondContact O-CG 3.42Å; V303-R306 PolarHBondContact O-N 2.92Å; L304-R306 PolarHBondContact O-N 3.02Å; L304-R306 VanDerWaalsContact O-N 3.08Å
307	V	95.2	Very high	96.2	Very high	24 Å²	24	40.3 Å²	40.3	15%	0.145	22%	0.218	C	C	.	.	S	Bend	trans	-112.7	134.7	-178	-177	0	0	0	0	108.7	E266 I270 S271 M274 L304 S305 E309 G310 P311	E266-V307 HydrophobicContact CB-CG2 4.44Å; I270-V307 HydrophobicContact CB-CG2 4.12Å; I270-V307 HydrophobicContact CG2-CG2 3.74Å; S271-V307 WeakPolarHBondContact OG-CG2 3.2Å; M274-V307 HydrophobicContact CE-CB 3.69Å; M274-V307 HydrophobicContact CE-CG1 3.61Å; M274-V307 HydrophobicContact CE-CG2 4.25Å; L304-V307 PolarHBondContact O-N 3.37Å; L304-V307 VanDerWaalsContact O-N 3.08Å; S305-V307 VanDerWaalsContact C-N 3.28Å; V307-E309 PolarHBondContact O-N 2.74Å; V307-E309 VanDerWaalsContact O-N 3.16Å; V307-G310 PolarHBondContact O-N 3.5Å; V307-P311 VanDerWaalsContact O-CD 3.28Å; V307-P311 WeakPolarHBondContact O-CD 3.23Å
308	E	92.8	Very high	96.2	Very high	150 Å²	150	40.4 Å²	40.4	70%	0.701	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.1	-172.3	-158.6	-161.8	125.7	0	0	113.6	K312	E308-K312 WeakPolarHBondContact O-CE 3.42Å; E308-K312 IonicContact OE1-NZ 3.3Å; E308-K312 PolarHBondContact OE1-NZ 3.34Å
309	E	94.5	Very high	96.2	Very high	89 Å²	89	39.3 Å²	39.3	42%	0.416	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.3	177.9	-60.1	-50.7	116.6	0	0	113.8	M274 V307 K312 I313	M274-E309 HydrophobicContact SD-CB 4.21Å; V307-E309 PolarHBondContact O-N 2.74Å; V307-E309 VanDerWaalsContact O-N 3.16Å; E309-K312 WeakPolarHBondContact O-CA 3.49Å; E309-K312 WeakPolarHBondContact O-CB 3.38Å; E309-K312 PolarHBondContact O-N 2.97Å; E309-K312 IonicContact OE1-NZ 3.03Å; E309-K312 PolarHBondContact OE1-NZ 2.92Å; E309-K312 WeakPolarHBondContact OE2-CD 3.37Å; E309-K312 IonicContact OE2-NZ 2.66Å; E309-I313 HydrophobicContact CB-CD1 4.3Å; E309-I313 PolarHBondContact O-N 3.23Å
310	G	95.8	Very high	96.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-50.5	-174.6	0	0	0	0	0	113.7	V307 K312 I313 M314	V307-G310 PolarHBondContact O-N 3.5Å; G310-K312 VanDerWaalsContact C-N 3.27Å; G310-K312 PolarHBondContact O-N 3.04Å; G310-I313 PolarHBondContact O-N 3.17Å; G310-M314 WeakPolarHBondContact O-CG 3.35Å; G310-M314 PolarHBondContact O-N 2.92Å
311	P	96.3	Very high	96.2	Very high	21 Å²	21	44.2 Å²	44.2	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-32.4	173.4	-24.8	35.4	0	0	0	113.7	Y301 V307 S315 I365 F366	Y301-P311 HydrophobicContact CE2-CB 4.46Å; Y301-P311 HydrophobicContact CE2-CG 4.27Å; V307-P311 VanDerWaalsContact O-CD 3.28Å; V307-P311 WeakPolarHBondContact O-CD 3.23Å; P311-S315 VanDerWaalsContact O-CB 3.24Å; P311-S315 WeakPolarHBondContact O-CB 3.34Å; P311-S315 PolarHBondContact O-N 3Å; P311-I365 HydrophobicContact CB-CG2 4.38Å; P311-F366 HydrophobicContact CB-CZ 4.11Å; P311-F366 VanDerWaalsContact O-CE1 3.28Å; P311-F366 WeakPolarHBondContact O-CE1 3.46Å
312	K	96.3	Very high	96.2	Very high	68 Å²	68	43.7 Å²	43.7	30%	0.296	22%	0.224	S	C	.	.	H	α-helix	trans	-69.6	-45.7	179.3	-54.1	173.7	-165.1	167	0	110.3	E308 E309 G310 S315 N316 I365	E308-K312 WeakPolarHBondContact O-CE 3.42Å; E308-K312 IonicContact OE1-NZ 3.3Å; E308-K312 PolarHBondContact OE1-NZ 3.34Å; E309-K312 WeakPolarHBondContact O-CA 3.49Å; E309-K312 WeakPolarHBondContact O-CB 3.38Å; E309-K312 PolarHBondContact O-N 2.97Å; E309-K312 IonicContact OE1-NZ 3.03Å; E309-K312 PolarHBondContact OE1-NZ 2.92Å; E309-K312 WeakPolarHBondContact OE2-CD 3.37Å; E309-K312 IonicContact OE2-NZ 2.66Å; G310-K312 VanDerWaalsContact C-N 3.27Å; G310-K312 PolarHBondContact O-N 3.04Å; K312-S315 WeakPolarHBondContact O-CB 3.37Å; K312-S315 PolarHBondContact O-N 3.11Å; K312-N316 VanDerWaalsContact O-CG 3.31Å; K312-N316 PolarHBondContact O-N 3.16Å; K312-I365 HydrophobicContact CB-CD1 4.48Å; K312-I365 HydrophobicContact CG-CD1 4Å
313	I	96.2	Very high	96.2	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-47.9	175.5	-68.2	163.5	0	0	0	111.2	M274 E275 V278 E309 G310 S315 N316 Y317	M274-I313 HydrophobicContact CB-CD1 4.4Å; M274-I313 HydrophobicContact CG-CD1 3.87Å; M274-I313 HydrophobicContact SD-CD1 3.33Å; M274-I313 WeakPolarHBondContact SD-CD1 3.46Å; E275-I313 HydrophobicContact CG-CD1 4.02Å; E275-I313 HydrophobicContact CG-CG2 4.4Å; V278-I313 HydrophobicContact CB-CG2 4.34Å; V278-I313 HydrophobicContact CG1-CG2 4.28Å; V278-I313 HydrophobicContact CG2-CG2 4.28Å; E309-I313 HydrophobicContact CB-CD1 4.3Å; E309-I313 PolarHBondContact O-N 3.23Å; G310-I313 PolarHBondContact O-N 3.17Å; I313-S315 VanDerWaalsContact C-N 3.26Å; I313-S315 PolarHBondContact O-N 3.31Å; I313-N316 WeakPolarHBondContact O-CB 3.25Å; I313-N316 PolarHBondContact O-N 3.4Å; I313-N316 VanDerWaalsContact O-N 3.17Å; I313-Y317 HydrophobicContact CG2-CD2 4.12Å; I313-Y317 HydrophobicContact CG2-CE2 4.2Å; I313-Y317 WeakPolarHBondContact O-CD2 3.49Å; I313-Y317 PolarHBondContact O-N 2.97Å; I313-Y317 VanDerWaalsContact O-N 3.11Å
314	M	97	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-40.7	174.6	-70.7	-170.7	79.7	0	0	111.7	V278 L285 I297 M300 Y301 L304 G310 N316 Y317 I318 L360 F366	V278-M314 HydrophobicContact CG2-CG 4.47Å; L285-M314 HydrophobicContact CD1-CE 4.1Å; L285-M314 HydrophobicContact CD2-CB 4.01Å; L285-M314 HydrophobicContact CD2-CE 3.9Å; L285-M314 HydrophobicContact CD2-CG 4.05Å; I297-M314 HydrophobicContact CG2-CE 4Å; M300-M314 HydrophobicContact CB-CE 4.39Å; M300-M314 HydrophobicContact CG-CE 4.08Å; M300-M314 HydrophobicContact CG-SD 4.39Å; M300-M314 HydrophobicContact SD-CE 4.03Å; Y301-M314 HydrophobicContact CD2-SD 3.99Å; Y301-M314 HydrophobicContact CG-SD 4.5Å; L304-M314 HydrophobicContact CB-SD 4.26Å; L304-M314 HydrophobicContact CD1-CG 3.77Å; L304-M314 HydrophobicContact CD1-SD 3.91Å; G310-M314 WeakPolarHBondContact O-CG 3.35Å; G310-M314 PolarHBondContact O-N 2.92Å; M314-N316 VanDerWaalsContact C-N 3.34Å; M314-N316 PolarHBondContact O-N 3.47Å; M314-Y317 PolarHBondContact O-N 3.01Å; M314-I318 HydrophobicContact CB-CD1 4.5Å; M314-I318 WeakPolarHBondContact O-CB 3.45Å; M314-I318 WeakPolarHBondContact O-CD1 3.28Å; M314-I318 VanDerWaalsContact O-CG1 3.23Å; M314-I318 WeakPolarHBondContact O-CG1 3.23Å; M314-I318 PolarHBondContact O-N 2.98Å; M314-L360 HydrophobicContact CE-CD2 4.23Å; M314-F366 HydrophobicContact CB-CE1 3.88Å; M314-F366 HydrophobicContact CB-CZ 4.18Å
315	S	97.2	Very high	96.2	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-38.8	179	-168.5	0	0	0	0	111.9	P311 K312 I313 S319 Q369	P311-S315 VanDerWaalsContact O-CB 3.24Å; P311-S315 WeakPolarHBondContact O-CB 3.34Å; P311-S315 PolarHBondContact O-N 3Å; K312-S315 WeakPolarHBondContact O-CB 3.37Å; K312-S315 PolarHBondContact O-N 3.11Å; I313-S315 VanDerWaalsContact C-N 3.26Å; I313-S315 PolarHBondContact O-N 3.31Å; S315-S319 VanDerWaalsContact O-CB 3.27Å; S315-S319 WeakPolarHBondContact O-CB 3.26Å; S315-S319 PolarHBondContact O-N 3.49Å; S315-Q369 WeakPolarHBondContact OG-CB 3.45Å; S315-Q369 WeakPolarHBondContact OG-CG 3.26Å
316	N	96.8	Very high	96.1	Very high	93 Å²	93	49.3 Å²	49.3	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-47	175.3	-67.1	-20.3	0	0	0	111.8	K312 I313 M314 S319 L320	K312-N316 VanDerWaalsContact O-CG 3.31Å; K312-N316 PolarHBondContact O-N 3.16Å; I313-N316 WeakPolarHBondContact O-CB 3.25Å; I313-N316 PolarHBondContact O-N 3.4Å; I313-N316 VanDerWaalsContact O-N 3.17Å; M314-N316 VanDerWaalsContact C-N 3.34Å; M314-N316 PolarHBondContact O-N 3.47Å; N316-S319 WeakPolarHBondContact O-CB 3.11Å; N316-S319 PolarHBondContact O-N 2.91Å; N316-L320 WeakPolarHBondContact O-CG 3.2Å; N316-L320 PolarHBondContact O-N 3.39Å
317	Y	96.3	Very high	96.1	Very high	62 Å²	62	47.7 Å²	47.7	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-41.6	179	-87.2	-95.2	0	0	0	112.8	V278 I313 M314 S319 L320 Y321	V278-Y317 HydrophobicContact CB-CD2 4.42Å; V278-Y317 HydrophobicContact CB-CE2 4.43Å; V278-Y317 HydrophobicContact CG1-CD1 3.96Å; V278-Y317 HydrophobicContact CG1-CD2 3.36Å; V278-Y317 HydrophobicContact CG1-CE1 4.33Å; V278-Y317 HydrophobicContact CG1-CE2 3.79Å; V278-Y317 HydrophobicContact CG1-CG 3.44Å; V278-Y317 VanDerWaalsContact CG1-CG 3.44Å; I313-Y317 HydrophobicContact CG2-CD2 4.12Å; I313-Y317 HydrophobicContact CG2-CE2 4.2Å; I313-Y317 WeakPolarHBondContact O-CD2 3.49Å; I313-Y317 PolarHBondContact O-N 2.97Å; I313-Y317 VanDerWaalsContact O-N 3.11Å; M314-Y317 PolarHBondContact O-N 3.01Å; Y317-S319 VanDerWaalsContact C-N 3.26Å; Y317-S319 PolarHBondContact O-N 3.36Å; Y317-L320 PolarHBondContact O-N 3.03Å; Y317-Y321 PolarHBondContact O-N 3.45Å
318	I	97.2	Very high	95.9	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-42.1	171.2	-69.5	160.3	0	0	0	110.2	L285 L289 M314 Y321 L322 L355 L360 F366	L285-I318 HydrophobicContact CD2-CD1 4.48Å; L285-I318 HydrophobicContact CD2-CG1 4.1Å; L289-I318 HydrophobicContact CD1-CG1 4.03Å; M314-I318 HydrophobicContact CB-CD1 4.5Å; M314-I318 WeakPolarHBondContact O-CB 3.45Å; M314-I318 WeakPolarHBondContact O-CD1 3.28Å; M314-I318 VanDerWaalsContact O-CG1 3.23Å; M314-I318 WeakPolarHBondContact O-CG1 3.23Å; M314-I318 PolarHBondContact O-N 2.98Å; I318-Y321 PolarHBondContact O-N 3.08Å; I318-L322 WeakPolarHBondContact O-CB 3.27Å; I318-L322 PolarHBondContact O-N 3.31Å; I318-L355 HydrophobicContact CG2-CD2 4.2Å; I318-L360 HydrophobicContact CD1-CD1 3.63Å; I318-L360 HydrophobicContact CD1-CD2 4.36Å; I318-F366 HydrophobicContact CD1-CD1 3.93Å; I318-F366 HydrophobicContact CD1-CE1 4.07Å
319	S	97.7	Very high	95.8	Very high	11 Å²	11	44 Å²	44	8%	0.077	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-43.2	178.5	-167.8	0	0	0	0	112.9	S315 N316 Y317 L322 R323 Q369 D373	S315-S319 VanDerWaalsContact O-CB 3.27Å; S315-S319 WeakPolarHBondContact O-CB 3.26Å; S315-S319 PolarHBondContact O-N 3.49Å; N316-S319 WeakPolarHBondContact O-CB 3.11Å; N316-S319 PolarHBondContact O-N 2.91Å; Y317-S319 VanDerWaalsContact C-N 3.26Å; Y317-S319 PolarHBondContact O-N 3.36Å; S319-L322 PolarHBondContact O-N 2.96Å; S319-R323 WeakPolarHBondContact O-CB 3.35Å; S319-R323 WeakPolarHBondContact O-CG 3.17Å; S319-R323 PolarHBondContact O-N 3.37Å; S319-R323 PolarHBondContact OG-NE 3.3Å; S319-Q369 PolarHBondContact OG-NE2 3.06Å; S319-D373 VanDerWaalsContact CA-OD2 3.23Å; S319-D373 WeakPolarHBondContact CA-OD2 3.5Å; S319-D373 WeakPolarHBondContact CB-OD2 3.19Å; S319-D373 PolarHBondContact OG-OD1 2.69Å; S319-D373 PolarHBondContact OG-OD2 3.26Å
320	L	96.5	Very high	95.6	Very high	113 Å²	113	40.1 Å²	40.1	59%	0.592	19%	0.191	S	C	*	.	H	α-helix	trans	-59.5	-48.1	176.1	-72.3	170.1	0	0	0	111.4	N316 Y317 E324	N316-L320 WeakPolarHBondContact O-CG 3.2Å; N316-L320 PolarHBondContact O-N 3.39Å; Y317-L320 PolarHBondContact O-N 3.03Å; L320-E324 PolarHBondContact O-N 2.92Å; L320-E324 VanDerWaalsContact O-N 3.13Å
321	Y	96.3	Very high	95.1	Very high	38 Å²	38	47.8 Å²	47.8	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-54.4	175.6	174.7	-102.1	0	0	0	112	T286 L289 T290 Y317 I318 R323 E324 Q325	T286-Y321 HydrophobicContact CG2-CD2 4.23Å; L289-Y321 HydrophobicContact CB-CD1 3.82Å; L289-Y321 HydrophobicContact CB-CD2 4.27Å; L289-Y321 HydrophobicContact CB-CE1 3.74Å; L289-Y321 HydrophobicContact CB-CE2 4.2Å; L289-Y321 HydrophobicContact CB-CG 4.08Å; L289-Y321 HydrophobicContact CD1-CD1 3.9Å; L289-Y321 HydrophobicContact CD1-CG 3.98Å; L289-Y321 HydrophobicContact CD2-CD1 4.49Å; L289-Y321 HydrophobicContact CG-CD1 4.3Å; L289-Y321 PolarHBondContact O-OH 2.78Å; T290-Y321 WeakPolarHBondContact OG1-CE2 3.32Å; Y317-Y321 PolarHBondContact O-N 3.45Å; I318-Y321 PolarHBondContact O-N 3.08Å; Y321-R323 VanDerWaalsContact C-N 3.33Å; Y321-R323 PolarHBondContact O-N 3.38Å; Y321-E324 PolarHBondContact O-N 2.66Å; Y321-Q325 HydrophobicContact CD1-CG 4.38Å; Y321-Q325 HydrophobicContact CD2-CG 4.29Å; Y321-Q325 HydrophobicContact CE1-CG 3.96Å; Y321-Q325 HydrophobicContact CE2-CG 3.86Å; Y321-Q325 PolarHBondContact O-N 3.06Å; Y321-Q325 PolarHBondContact OH-NE2 3.31Å
322	L	97.1	Very high	94	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-35.3	-174.5	-177.3	61.2	0	0	0	112.1	I318 S319 G326 L348 A352 I370 D373 F374 F377	I318-L322 WeakPolarHBondContact O-CB 3.27Å; I318-L322 PolarHBondContact O-N 3.31Å; S319-L322 PolarHBondContact O-N 2.96Å; L322-G326 PolarHBondContact O-N 2.95Å; L322-L348 HydrophobicContact CD1-CD1 3.97Å; L322-L348 HydrophobicContact CD1-CD2 4.2Å; L322-L348 HydrophobicContact CD1-CG 3.98Å; L322-A352 HydrophobicContact CD1-CB 4.45Å; L322-I370 HydrophobicContact CD2-CB 4.21Å; L322-I370 HydrophobicContact CD2-CG1 3.95Å; L322-I370 HydrophobicContact CD2-CG2 4.03Å; L322-D373 HydrophobicContact CD2-CB 4.1Å; L322-D373 HydrophobicContact CG-CB 4.45Å; L322-F374 HydrophobicContact CD1-CE2 3.94Å; L322-F374 HydrophobicContact CD1-CZ 4.35Å; L322-F374 HydrophobicContact CD2-CD2 4.21Å; L322-F374 HydrophobicContact CD2-CE2 3.98Å; L322-F374 HydrophobicContact CG-CE2 4.37Å; L322-F377 HydrophobicContact CD1-CE1 4.44Å; L322-F377 HydrophobicContact CD1-CZ 4.47Å; L322-F377 HydrophobicContact CG-CE1 4.08Å; L322-F377 WeakPolarHBondContact O-CE1 3.42Å
323	R	97.2	Very high	92.8	Very high	66 Å²	66	50.6 Å²	50.6	25%	0.249	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-31.3	172.6	-70.8	178	-177.8	-140.4	-6.9	112.7	S319 Y321 R327 D373 Y376	S319-R323 WeakPolarHBondContact O-CB 3.35Å; S319-R323 WeakPolarHBondContact O-CG 3.17Å; S319-R323 PolarHBondContact O-N 3.37Å; S319-R323 PolarHBondContact OG-NE 3.3Å; Y321-R323 VanDerWaalsContact C-N 3.33Å; Y321-R323 PolarHBondContact O-N 3.38Å; R323-R327 VanDerWaalsContact O-CB 3.26Å; R323-R327 WeakPolarHBondContact O-CB 3.48Å; R323-R327 VanDerWaalsContact O-CG 3.23Å; R323-R327 WeakPolarHBondContact O-CG 3.23Å; R323-R327 PolarHBondContact O-N 3.19Å; R323-D373 HydrophobicContact CG-CB 4.03Å; R323-D373 IonicContact CZ-OD1 2.69Å; R323-D373 IonicContact NE-OD1 3.05Å; R323-D373 PolarHBondContact NE-OD1 3.23Å; R323-D373 IonicContact NH2-OD1 3.77Å; R323-D373 PolarHBondContact NH2-OD1 2.69Å; R323-Y376 HydrophobicContact CG-CD1 4.05Å; R323-Y376 HydrophobicContact CG-CE1 4.46Å
324	E	95.8	Very high	91.5	Very high	83 Å²	83	53 Å²	53	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-75	-45.5	175.8	-175.8	55.4	-152.8	0	0	111.9	L320 Y321 G326 R327 N328	L320-E324 PolarHBondContact O-N 2.92Å; L320-E324 VanDerWaalsContact O-N 3.13Å; Y321-E324 PolarHBondContact O-N 2.66Å; E324-G326 PolarHBondContact O-N 3.49Å; E324-R327 WeakPolarHBondContact O-CB 3.16Å; E324-R327 PolarHBondContact O-N 2.64Å; E324-R327 IonicContact OE2-CZ 3.58Å; E324-R327 IonicContact OE2-NE 3.49Å; E324-R327 PolarHBondContact OE2-NE 3.48Å; E324-R327 IonicContact OE2-NH2 3.5Å; E324-R327 PolarHBondContact OE2-NH2 3.13Å; E324-N328 PolarHBondContact O-N 3.46Å; E324-N328 PolarHBondContact O-ND2 2.66Å; E324-N328 PolarHBondContact OE1-ND2 2.72Å
325	Q	95.4	Very high	90.2	Very high	67 Å²	67	58.8 Å²	58.8	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-49.8	172.3	-64.6	-61.9	-2.6	0	0	110.6	Y321 R327 N328 T329 L348	Y321-Q325 HydrophobicContact CD1-CG 4.38Å; Y321-Q325 HydrophobicContact CD2-CG 4.29Å; Y321-Q325 HydrophobicContact CE1-CG 3.96Å; Y321-Q325 HydrophobicContact CE2-CG 3.86Å; Y321-Q325 PolarHBondContact O-N 3.06Å; Y321-Q325 PolarHBondContact OH-NE2 3.31Å; Q325-R327 PolarHBondContact O-N 3.21Å; Q325-N328 PolarHBondContact O-N 3.01Å; Q325-N328 VanDerWaalsContact O-N 3.08Å; Q325-T329 PolarHBondContact O-N 3.05Å; Q325-T329 PolarHBondContact O-OG1 3.38Å; Q325-T329 VanDerWaalsContact O-OG1 3.1Å; Q325-L348 HydrophobicContact CB-CD1 4Å; Q325-L348 HydrophobicContact CB-CD2 4.34Å
326	G	95.2	Very high	89.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176.1	0	0	0	0	0	113.6	L322 E324 N328 T329 V330	L322-G326 PolarHBondContact O-N 2.95Å; E324-G326 PolarHBondContact O-N 3.49Å; G326-N328 VanDerWaalsContact C-N 3.34Å; G326-N328 PolarHBondContact O-N 3.23Å; G326-T329 PolarHBondContact O-N 3.36Å; G326-V330 WeakPolarHBondContact O-CG1 3.39Å; G326-V330 WeakPolarHBondContact O-CG2 3.24Å; G326-V330 PolarHBondContact O-N 2.91Å
327	R	94.7	Very high	88.5	Confident	85 Å²	85	59.7 Å²	59.7	32%	0.321	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-45.1	172.6	-89.6	-173.2	-63.4	-91.7	5.6	112.2	R323 E324 Q325 V330 R331 L380	R323-R327 VanDerWaalsContact O-CB 3.26Å; R323-R327 WeakPolarHBondContact O-CB 3.48Å; R323-R327 VanDerWaalsContact O-CG 3.23Å; R323-R327 WeakPolarHBondContact O-CG 3.23Å; R323-R327 PolarHBondContact O-N 3.19Å; E324-R327 WeakPolarHBondContact O-CB 3.16Å; E324-R327 PolarHBondContact O-N 2.64Å; E324-R327 IonicContact OE2-CZ 3.58Å; E324-R327 IonicContact OE2-NE 3.49Å; E324-R327 PolarHBondContact OE2-NE 3.48Å; E324-R327 IonicContact OE2-NH2 3.5Å; E324-R327 PolarHBondContact OE2-NH2 3.13Å; Q325-R327 PolarHBondContact O-N 3.21Å; R327-V330 PolarHBondContact O-N 2.87Å; R327-R331 PolarHBondContact O-N 2.88Å; R327-L380 HydrophobicContact CG-CD1 3.8Å
328	N	92.1	Very high	88	Confident	68 Å²	68	57.9 Å²	57.9	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-72.1	-36.2	-178.6	-72.7	-54.7	0	0	0	112.2	E324 Q325 G326 R331	E324-N328 PolarHBondContact O-N 3.46Å; E324-N328 PolarHBondContact O-ND2 2.66Å; E324-N328 PolarHBondContact OE1-ND2 2.72Å; Q325-N328 PolarHBondContact O-N 3.01Å; Q325-N328 VanDerWaalsContact O-N 3.08Å; G326-N328 VanDerWaalsContact C-N 3.34Å; G326-N328 PolarHBondContact O-N 3.23Å; N328-R331 PolarHBondContact OD1-NH1 3.37Å
329	T	90.9	Very high	87.5	Confident	30 Å²	30	60.1 Å²	60.1	18%	0.184	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-43.4	171.6	-54.7	0	0	0	0	112.6	Q325 G326 R331 D344 L345	Q325-T329 PolarHBondContact O-N 3.05Å; Q325-T329 PolarHBondContact O-OG1 3.38Å; Q325-T329 VanDerWaalsContact O-OG1 3.1Å; G326-T329 PolarHBondContact O-N 3.36Å; T329-R331 VanDerWaalsContact C-N 3.32Å; T329-R331 PolarHBondContact O-N 2.92Å; T329-D344 HydrophobicContact CG2-CB 3.53Å; T329-L345 HydrophobicContact CG2-CD2 3.95Å; T329-L345 HydrophobicContact CG2-CG 3.88Å
330	V	90	Very high	87.1	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-83	-3	-176.7	-56.2	0	0	0	0	114.7	G326 R327 D332 H341 L345 F377 L380 N381	G326-V330 WeakPolarHBondContact O-CG1 3.39Å; G326-V330 WeakPolarHBondContact O-CG2 3.24Å; G326-V330 PolarHBondContact O-N 2.91Å; R327-V330 PolarHBondContact O-N 2.87Å; V330-D332 PolarHBondContact O-N 2.85Å; V330-H341 VanDerWaalsContact CA-CE1 3.45Å; V330-H341 WeakPolarHBondContact CA-CE1 3.47Å; V330-H341 PolarHBondContact O-CE1 3.1Å; V330-L345 HydrophobicContact CG1-CD1 4.34Å; V330-L345 HydrophobicContact CG1-CD2 3.87Å; V330-L345 HydrophobicContact CG1-CG 4.5Å; V330-F377 HydrophobicContact CG1-CD2 4.16Å; V330-L380 HydrophobicContact CG2-CB 4.13Å; V330-N381 HydrophobicContact CB-CB 4.16Å
331	R	85.8	Confident	86.8	Confident	160 Å²	160	58.6 Å²	58.6	60%	0.604	31%	0.31	S	S	*	.	S	Bend	trans	-72.8	119.2	-178.5	-155.1	170	89	-158.7	12	110.4	R327 N328 T329 T333	R327-R331 PolarHBondContact O-N 2.88Å; N328-R331 PolarHBondContact OD1-NH1 3.37Å; T329-R331 VanDerWaalsContact C-N 3.32Å; T329-R331 PolarHBondContact O-N 2.92Å; R331-T333 PolarHBondContact O-N 2.93Å
332	D	72	Confident	86.7	Confident	80 Å²	80	57 Å²	57	43%	0.428	30%	0.304	S	S	.	.			trans	-70.5	99.3	175.2	-161.8	-23.6	0	0	0	109.4	V330 G334 R383	V330-D332 PolarHBondContact O-N 2.85Å; D332-G334 VanDerWaalsContact C-N 3.26Å; D332-G334 PolarHBondContact OD1-N 3.34Å; D332-R383 IonicContact OD2-NH1 3.33Å; D332-R383 PolarHBondContact OD2-NH1 2.9Å
333	T	70.9	Confident	86.5	Confident	69 Å²	69	59.4 Å²	59.4	42%	0.423	32%	0.315	S	S	.	.			trans	-81	-4	176	53.2	0	0	0	0	112.9	R331 T335 S336	R331-T333 PolarHBondContact O-N 2.93Å; T333-T335 PolarHBondContact O-N 2.8Å; T333-T335 PolarHBondContact OG1-OG1 2.73Å; T333-T335 VanDerWaalsContact OG1-OG1 3.05Å; T333-S336 PolarHBondContact OG1-OG 3.27Å
334	G	69.4	Low	86.3	Confident	66 Å²	66	58.1 Å²	58.1	68%	0.68	31%	0.313	S	S	*	.	S	Bend	trans	70.8	-15.4	-171.4	0	0	0	0	0	115.1	D332	D332-G334 VanDerWaalsContact C-N 3.26Å; D332-G334 PolarHBondContact OD1-N 3.34Å
335	T	69.9	Low	86.3	Confident	121 Å²	121	54.3 Å²	54.3	74%	0.742	30%	0.295	S	S	*	.	S	Bend	trans	-94.8	-36.3	179.8	56.6	0	0	0	0	113	T333	T333-T335 PolarHBondContact O-N 2.8Å; T333-T335 PolarHBondContact OG1-OG1 2.73Å; T333-T335 VanDerWaalsContact OG1-OG1 3.05Å
336	S	73.8	Confident	86.3	Confident	52 Å²	52	51.5 Å²	51.5	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-67.7	136.6	-177.3	-63.1	0	0	0	0	112.1	T333	T333-S336 PolarHBondContact OG1-OG 3.27Å
337	T	85.3	Confident	86.3	Confident	64 Å²	64	56.8 Å²	56.8	39%	0.393	31%	0.307	S	S	.	.			trans	-78.7	153.6	172.8	63.4	0	0	0	0	110.7	Q339 Q340 H341	T337-Q339 PolarHBondContact O-N 3.36Å; T337-Q339 VanDerWaalsContact O-N 3.14Å; T337-Q340 PolarHBondContact O-N 2.94Å; T337-Q340 WeakPolarHBondContact OG1-CB 3.28Å; T337-Q340 PolarHBondContact OG1-N 3Å; T337-Q340 VanDerWaalsContact OG1-N 3.08Å; T337-H341 PolarHBondContact O-N 3.23Å
338	P	85.1	Confident	86.3	Confident	25 Å²	25	53.9 Å²	53.9	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-52.9	-32.5	169.9	-27.9	36.3	0	0	0	112.9	I342 F387 L390	P338-I342 WeakPolarHBondContact O-CG1 3.32Å; P338-I342 PolarHBondContact O-N 3.27Å; P338-F387 HydrophobicContact CB-CB 4.14Å; P338-F387 HydrophobicContact CB-CD1 3.61Å; P338-F387 HydrophobicContact CB-CE1 4.09Å; P338-F387 HydrophobicContact CB-CG 3.87Å; P338-F387 HydrophobicContact CG-CD1 3.82Å; P338-F387 HydrophobicContact CG-CE1 3.8Å; P338-F387 HydrophobicContact CG-CG 4.48Å; P338-F387 HydrophobicContact CG-CZ 4.45Å; P338-L390 HydrophobicContact CB-CB 4.33Å; P338-L390 HydrophobicContact CB-CD1 4.05Å; P338-L390 HydrophobicContact CG-CD1 4.02Å
339	Q	87.5	Confident	86.5	Confident	49 Å²	49	51.6 Å²	51.6	23%	0.229	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-50.8	175.5	-72.5	63.7	33.8	0	0	111.6	T337 Q343 E394	T337-Q339 PolarHBondContact O-N 3.36Å; T337-Q339 VanDerWaalsContact O-N 3.14Å; Q339-Q343 WeakPolarHBondContact O-CB 3.46Å; Q339-Q343 PolarHBondContact O-N 3.36Å; Q339-E394 WeakPolarHBondContact CG-OE2 3.4Å
340	Q	89	Confident	86.7	Confident	89 Å²	89	52.5 Å²	52.5	42%	0.416	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-48.2	179.9	-165.5	63.8	48.4	0	0	110.8	T337 I342 Q343 D344	T337-Q340 PolarHBondContact O-N 2.94Å; T337-Q340 WeakPolarHBondContact OG1-CB 3.28Å; T337-Q340 PolarHBondContact OG1-N 3Å; T337-Q340 VanDerWaalsContact OG1-N 3.08Å; Q340-I342 VanDerWaalsContact C-N 3.28Å; Q340-I342 PolarHBondContact O-N 3.35Å; Q340-Q343 CarbonylContact O-C 3.59Å; Q340-Q343 WeakPolarHBondContact O-CA 3.47Å; Q340-Q343 WeakPolarHBondContact O-CB 3.49Å; Q340-Q343 PolarHBondContact O-N 2.95Å; Q340-D344 PolarHBondContact NE2-OD1 2.97Å; Q340-D344 PolarHBondContact O-N 3.15Å
341	H	90.1	Very high	87	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.019	30%	0.3	C	S	.	.	H	α-helix	trans	-53.7	-40.5	-179.6	-167.9	108.7	0	0	0	113.6	V330 T337 L345 N381 F387	V330-H341 VanDerWaalsContact CA-CE1 3.45Å; V330-H341 WeakPolarHBondContact CA-CE1 3.47Å; V330-H341 PolarHBondContact O-CE1 3.1Å; T337-H341 PolarHBondContact O-N 3.23Å; H341-L345 WeakPolarHBondContact O-CG 3.49Å; H341-L345 PolarHBondContact O-N 3.12Å; H341-N381 PolarHBondContact CE1-ND2 3.04Å; H341-N381 PolarHBondContact NE2-ND2 2.96Å; H341-F387 HydrophobicContact CB-CD2 4.05Å; H341-F387 HydrophobicContact CB-CE2 4.38Å; H341-F387 AromaticContact CD2-CD2 3.59Å; H341-F387 AromaticContact CE1-CE2 3.98Å; H341-F387 AromaticContact CG-CD2 3.7Å; H341-F387 AromaticContact CG-CE2 3.96Å; H341-F387 AromaticContact ND1-CE2 3.88Å; H341-F387 AromaticContact NE2-CD2 3.85Å
342	I	93.6	Very high	87.5	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-76.2	-36.2	174.7	-61.6	-63	0	0	0	111.5	P338 Q340 D344 L345 L346 F387 L388 F391 L418	P338-I342 WeakPolarHBondContact O-CG1 3.32Å; P338-I342 PolarHBondContact O-N 3.27Å; Q340-I342 VanDerWaalsContact C-N 3.28Å; Q340-I342 PolarHBondContact O-N 3.35Å; I342-D344 VanDerWaalsContact C-N 3.35Å; I342-D344 PolarHBondContact O-N 3.3Å; I342-L345 HydrophobicContact CD1-CD1 4.36Å; I342-L345 PolarHBondContact O-N 3.5Å; I342-L346 HydrophobicContact CG2-CD1 4.37Å; I342-L346 VanDerWaalsContact O-CG 3.31Å; I342-L346 WeakPolarHBondContact O-CG 3.41Å; I342-L346 PolarHBondContact O-N 3.23Å; I342-F387 HydrophobicContact CD1-CB 3.98Å; I342-F387 HydrophobicContact CG1-CB 3.95Å; I342-L388 HydrophobicContact CD1-CB 3.97Å; I342-L388 HydrophobicContact CD1-CD1 4.26Å; I342-L388 HydrophobicContact CG2-CD1 3.95Å; I342-F391 HydrophobicContact CB-CB 4.06Å; I342-F391 HydrophobicContact CB-CD2 3.84Å; I342-F391 HydrophobicContact CB-CE2 4.39Å; I342-F391 HydrophobicContact CB-CG 3.96Å; I342-F391 HydrophobicContact CG1-CB 4.11Å; I342-F391 HydrophobicContact CG2-CB 3.98Å; I342-F391 HydrophobicContact CG2-CD1 3.8Å; I342-F391 HydrophobicContact CG2-CD2 3.82Å; I342-F391 HydrophobicContact CG2-CE1 4.15Å; I342-F391 HydrophobicContact CG2-CE2 4.17Å; I342-F391 HydrophobicContact CG2-CG 3.62Å; I342-F391 HydrophobicContact CG2-CZ 4.31Å; I342-L418 HydrophobicContact CG2-CD1 4.19Å
343	Q	93	Very high	88.5	Confident	60 Å²	60	46.1 Å²	46.1	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-38.2	177.4	-170.3	57	78.6	0	0	112.6	Q339 Q340 L346 Q347 F391	Q339-Q343 WeakPolarHBondContact O-CB 3.46Å; Q339-Q343 PolarHBondContact O-N 3.36Å; Q340-Q343 CarbonylContact O-C 3.59Å; Q340-Q343 WeakPolarHBondContact O-CA 3.47Å; Q340-Q343 WeakPolarHBondContact O-CB 3.49Å; Q340-Q343 PolarHBondContact O-N 2.95Å; Q343-L346 PolarHBondContact O-N 2.93Å; Q343-Q347 WeakPolarHBondContact O-CG 3.28Å; Q343-Q347 PolarHBondContact O-N 3.03Å; Q343-F391 HydrophobicContact CB-CE2 4.34Å
344	D	93.5	Very high	89.7	Confident	39 Å²	39	47.2 Å²	47.2	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-44.9	176.5	-55.7	-25.1	0	0	0	110.7	T329 Q340 I342 L346 Q347 L348	T329-D344 HydrophobicContact CG2-CB 3.53Å; Q340-D344 PolarHBondContact NE2-OD1 2.97Å; Q340-D344 PolarHBondContact O-N 3.15Å; I342-D344 VanDerWaalsContact C-N 3.35Å; I342-D344 PolarHBondContact O-N 3.3Å; D344-L346 VanDerWaalsContact C-N 3.27Å; D344-L346 PolarHBondContact O-N 3.44Å; D344-Q347 PolarHBondContact O-N 3.44Å; D344-L348 PolarHBondContact O-N 3.46Å
345	L	95.1	Very high	91	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-35.5	173.5	-78.4	172.3	0	0	0	112.7	T329 V330 H341 I342 R349 F377 V378 L418	T329-L345 HydrophobicContact CG2-CD2 3.95Å; T329-L345 HydrophobicContact CG2-CG 3.88Å; V330-L345 HydrophobicContact CG1-CD1 4.34Å; V330-L345 HydrophobicContact CG1-CD2 3.87Å; V330-L345 HydrophobicContact CG1-CG 4.5Å; H341-L345 WeakPolarHBondContact O-CG 3.49Å; H341-L345 PolarHBondContact O-N 3.12Å; I342-L345 HydrophobicContact CD1-CD1 4.36Å; I342-L345 PolarHBondContact O-N 3.5Å; L345-R349 WeakPolarHBondContact O-CB 3.44Å; L345-R349 PolarHBondContact O-N 3.01Å; L345-F377 HydrophobicContact CD2-CD2 4.04Å; L345-F377 HydrophobicContact CD2-CE2 3.71Å; L345-V378 HydrophobicContact CD1-CG2 4.38Å; L345-V378 HydrophobicContact CD2-CG2 4.13Å; L345-L418 HydrophobicContact CB-CD1 4.06Å; L345-L418 HydrophobicContact CB-CD2 4.49Å
346	L	95.2	Very high	92.3	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-69.4	-42.8	174.4	-74	-179.8	0	0	0	112.2	I342 Q343 D344 R349 D350 F391 K414 L418	I342-L346 HydrophobicContact CG2-CD1 4.37Å; I342-L346 VanDerWaalsContact O-CG 3.31Å; I342-L346 WeakPolarHBondContact O-CG 3.41Å; I342-L346 PolarHBondContact O-N 3.23Å; Q343-L346 PolarHBondContact O-N 2.93Å; D344-L346 VanDerWaalsContact C-N 3.27Å; D344-L346 PolarHBondContact O-N 3.44Å; L346-R349 PolarHBondContact O-N 3.1Å; L346-R349 VanDerWaalsContact O-N 3.15Å; L346-D350 PolarHBondContact O-N 3.2Å; L346-F391 HydrophobicContact CD1-CE1 4.12Å; L346-F391 HydrophobicContact CD1-CZ 3.99Å; L346-K414 HydrophobicContact CD1-CB 4.5Å; L346-K414 HydrophobicContact CD2-CB 3.8Å; L346-L418 HydrophobicContact CD2-CD1 3.53Å; L346-L418 HydrophobicContact CD2-CG 3.8Å; L346-L418 HydrophobicContact CG-CD1 3.84Å
347	Q	94.8	Very high	93.3	Very high	112 Å²	112	40.4 Å²	40.4	52%	0.523	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-43.5	175.7	-74.6	172.8	-13.3	0	0	111.8	Q343 D344 R349 D350 C351	Q343-Q347 WeakPolarHBondContact O-CG 3.28Å; Q343-Q347 PolarHBondContact O-N 3.03Å; D344-Q347 PolarHBondContact O-N 3.44Å; Q347-R349 VanDerWaalsContact C-N 3.26Å; Q347-R349 PolarHBondContact O-N 3.09Å; Q347-D350 PolarHBondContact O-N 2.82Å; Q347-C351 WeakPolarHBondContact O-CB 3.41Å; Q347-C351 PolarHBondContact O-N 2.65Å
348	L	95.6	Very high	93.8	Very high	24 Å²	24	44.5 Å²	44.5	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-36.3	173.6	-172.2	63.6	0	0	0	111.4	L322 Q325 D344 A352 F374 F377	L322-L348 HydrophobicContact CD1-CD1 3.97Å; L322-L348 HydrophobicContact CD1-CD2 4.2Å; L322-L348 HydrophobicContact CD1-CG 3.98Å; Q325-L348 HydrophobicContact CB-CD1 4Å; Q325-L348 HydrophobicContact CB-CD2 4.34Å; D344-L348 PolarHBondContact O-N 3.46Å; L348-A352 WeakPolarHBondContact O-CB 3.36Å; L348-A352 PolarHBondContact O-N 2.98Å; L348-F374 HydrophobicContact CB-CZ 4.3Å; L348-F374 HydrophobicContact CD2-CZ 4.32Å; L348-F374 HydrophobicContact CG-CZ 3.96Å; L348-F377 HydrophobicContact CD2-CE2 4.1Å; L348-F377 HydrophobicContact CD2-CZ 3.87Å
349	R	96.3	Very high	94.3	Very high	19 Å²	19	43.4 Å²	43.4	7%	0.072	21%	0.213	C	C	.	.	H	α-helix	trans	-71.5	-36	178	-167.6	67.8	-165.1	81.5	-4.7	112.8	L345 L346 Q347 N353 N371 F374 V417 Y421	L345-R349 WeakPolarHBondContact O-CB 3.44Å; L345-R349 PolarHBondContact O-N 3.01Å; L346-R349 PolarHBondContact O-N 3.1Å; L346-R349 VanDerWaalsContact O-N 3.15Å; Q347-R349 VanDerWaalsContact C-N 3.26Å; Q347-R349 PolarHBondContact O-N 3.09Å; R349-N353 PolarHBondContact NH1-ND2 2.98Å; R349-N353 PolarHBondContact NH1-OD1 2.96Å; R349-N353 PolarHBondContact NH2-OD1 3.47Å; R349-N353 PolarHBondContact O-N 2.73Å; R349-N353 VanDerWaalsContact O-N 3.12Å; R349-N353 PolarHBondContact O-ND2 3.05Å; R349-N371 PolarHBondContact NH2-OD1 2.99Å; R349-F374 VanDerWaalsContact CA-CZ 3.41Å; R349-F374 HydrophobicContact CB-CE1 3.71Å; R349-F374 HydrophobicContact CB-CZ 3.75Å; R349-F374 VanDerWaalsContact CD-CE1 3.49Å; R349-F374 VanDerWaalsContact CD-CZ 3.44Å; R349-F374 HydrophobicContact CG-CE1 4.18Å; R349-F374 HydrophobicContact CG-CZ 4.22Å; R349-V417 HydrophobicContact CG-CG1 4.24Å; R349-Y421 PolarHBondContact NE-OH 2.96Å; R349-Y421 PolarHBondContact NH2-OH 2.91Å
350	D	95.3	Very high	94.7	Very high	50 Å²	50	41 Å²	41	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-66.1	-50.2	173.9	-71.5	-32.3	0	0	0	110.8	L346 Q347 A352 N353 E354 K414	L346-D350 PolarHBondContact O-N 3.2Å; Q347-D350 PolarHBondContact O-N 2.82Å; D350-A352 VanDerWaalsContact C-N 3.32Å; D350-A352 PolarHBondContact O-N 2.72Å; D350-N353 WeakPolarHBondContact O-CB 3.42Å; D350-N353 PolarHBondContact O-N 3.35Å; D350-E354 PolarHBondContact O-N 3.24Å; D350-K414 VanDerWaalsContact OD1-CE 3.26Å; D350-K414 WeakPolarHBondContact OD1-CE 3.43Å; D350-K414 IonicContact OD1-NZ 2.89Å; D350-K414 PolarHBondContact OD1-NZ 3.09Å; D350-K414 IonicContact OD2-NZ 3.58Å; D350-K414 PolarHBondContact OD2-NZ 3.14Å
351	C	94.9	Very high	95	Very high	45 Å²	45	42.1 Å²	42.1	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-54.2	-45.6	173.2	174	0	0	0	0	112.3	Q347 N353 E354 L355	Q347-C351 WeakPolarHBondContact O-CB 3.41Å; Q347-C351 PolarHBondContact O-N 2.65Å; C351-N353 VanDerWaalsContact C-N 3.28Å; C351-N353 PolarHBondContact O-N 3.45Å; C351-E354 PolarHBondContact O-N 3.39Å; C351-L355 PolarHBondContact O-N 3.5Å
352	A	96.3	Very high	95.2	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-25.4	178.2	0	0	0	0	0	113.5	L322 L348 D350 L356 I370 F374	L322-A352 HydrophobicContact CD1-CB 4.45Å; L348-A352 WeakPolarHBondContact O-CB 3.36Å; L348-A352 PolarHBondContact O-N 2.98Å; D350-A352 VanDerWaalsContact C-N 3.32Å; D350-A352 PolarHBondContact O-N 2.72Å; A352-L356 WeakPolarHBondContact O-CB 3.33Å; A352-L356 PolarHBondContact O-N 3.47Å; A352-I370 HydrophobicContact CB-CG2 4.07Å; A352-F374 HydrophobicContact CB-CE2 3.92Å; A352-F374 HydrophobicContact CB-CZ 4.43Å
353	N	94.8	Very high	95.2	Very high	63 Å²	63	48.4 Å²	48.4	34%	0.337	24%	0.242	S	C	.	.	H	α-helix	trans	-76.1	-42.8	170	-77.4	-31.9	0	0	0	111.6	R349 D350 C351 L355 L356 T357	R349-N353 PolarHBondContact NH1-ND2 2.98Å; R349-N353 PolarHBondContact NH1-OD1 2.96Å; R349-N353 PolarHBondContact NH2-OD1 3.47Å; R349-N353 PolarHBondContact O-N 2.73Å; R349-N353 VanDerWaalsContact O-N 3.12Å; R349-N353 PolarHBondContact O-ND2 3.05Å; D350-N353 WeakPolarHBondContact O-CB 3.42Å; D350-N353 PolarHBondContact O-N 3.35Å; C351-N353 VanDerWaalsContact C-N 3.28Å; C351-N353 PolarHBondContact O-N 3.45Å; N353-L355 VanDerWaalsContact C-N 3.33Å; N353-L355 PolarHBondContact O-N 3.49Å; N353-L356 PolarHBondContact O-N 3.07Å; N353-L356 VanDerWaalsContact O-N 3.15Å; N353-T357 PolarHBondContact O-N 2.84Å; N353-T357 PolarHBondContact O-OG1 3.48Å
354	E	95.2	Very high	95.4	Very high	92 Å²	92	49.5 Å²	49.5	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-44.2	175.6	-78.9	-154	-135.5	0	0	111.8	F294 D350 C351 L356 T357 R358	F294-E354 HydrophobicContact CE2-CB 4.29Å; F294-E354 HydrophobicContact CZ-CB 4.45Å; D350-E354 PolarHBondContact O-N 3.24Å; C351-E354 PolarHBondContact O-N 3.39Å; E354-L356 PolarHBondContact O-N 3.33Å; E354-T357 PolarHBondContact O-N 2.96Å; E354-R358 WeakPolarHBondContact O-CA 2.87Å; E354-R358 WeakPolarHBondContact O-CB 3.5Å; E354-R358 VanDerWaalsContact O-CG 3.25Å; E354-R358 WeakPolarHBondContact O-CG 3.48Å; E354-R358 PolarHBondContact O-N 3.26Å; E354-R358 VanDerWaalsContact OE2-CD 3.26Å; E354-R358 WeakPolarHBondContact OE2-CD 3.45Å; E354-R358 IonicContact OE2-CZ 3.36Å; E354-R358 IonicContact OE2-NE 3.06Å; E354-R358 IonicContact OE2-NH1 2.69Å; E354-R358 PolarHBondContact OE2-NH1 2.85Å
355	L	96.5	Very high	95.5	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-53.8	-50.2	171.2	175.6	66.8	0	0	0	112	L289 F294 I297 I318 C351 N353 A359 L360	L289-L355 HydrophobicContact CD2-CD1 3.68Å; L289-L355 HydrophobicContact CD2-CD2 3.52Å; L289-L355 HydrophobicContact CD2-CG 4.25Å; F294-L355 HydrophobicContact CD1-CB 4.35Å; F294-L355 HydrophobicContact CD1-CD1 3.88Å; F294-L355 HydrophobicContact CE1-CB 3.9Å; F294-L355 HydrophobicContact CE1-CD1 3.99Å; I297-L355 HydrophobicContact CD1-CD1 3.75Å; I297-L355 HydrophobicContact CG2-CD1 4.09Å; I318-L355 HydrophobicContact CG2-CD2 4.2Å; C351-L355 PolarHBondContact O-N 3.5Å; N353-L355 VanDerWaalsContact C-N 3.33Å; N353-L355 PolarHBondContact O-N 3.49Å; L355-A359 HydrophobicContact CD1-CB 4.31Å; L355-A359 WeakPolarHBondContact O-CB 3.36Å; L355-A359 PolarHBondContact O-N 3.21Å; L355-L360 HydrophobicContact CD1-CD1 4.28Å; L355-L360 HydrophobicContact CD2-CD1 4.3Å; L355-L360 HydrophobicContact CG-CD1 3.86Å; L355-L360 HydrophobicContact CG-CG 4.46Å; L355-L360 PolarHBondContact O-N 3.08Å
356	L	96.3	Very high	95.7	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-45.5	-176.2	178.7	62.8	0	0	0	112.4	A352 N353 E354 L360 N361 D362 F366 R367 I370	A352-L356 WeakPolarHBondContact O-CB 3.33Å; A352-L356 PolarHBondContact O-N 3.47Å; N353-L356 PolarHBondContact O-N 3.07Å; N353-L356 VanDerWaalsContact O-N 3.15Å; E354-L356 PolarHBondContact O-N 3.33Å; L356-L360 HydrophobicContact CD1-CB 4.42Å; L356-L360 CarbonylContact O-C 3.59Å; L356-L360 VanDerWaalsContact O-C 3.29Å; L356-L360 PolarHBondContact O-N 2.99Å; L356-N361 PolarHBondContact O-N 2.83Å; L356-D362 PolarHBondContact O-N 3.27Å; L356-F366 HydrophobicContact CD1-CB 3.95Å; L356-R367 HydrophobicContact CD1-CB 4.24Å; L356-R367 HydrophobicContact CD2-CB 3.81Å; L356-R367 HydrophobicContact CD2-CG 4.01Å; L356-I370 HydrophobicContact CB-CD1 4.35Å
357	T	95.8	Very high	95.7	Very high	84 Å²	84	54 Å²	54	52%	0.515	27%	0.27	S	S	.	.	H	α-helix	trans	-83.6	-38.1	-176.8	-58.1	0	0	0	0	112.8	N353 E354 D362	N353-T357 PolarHBondContact O-N 2.84Å; N353-T357 PolarHBondContact O-OG1 3.48Å; E354-T357 PolarHBondContact O-N 2.96Å; T357-D362 WeakPolarHBondContact CA-OD2 3.43Å; T357-D362 WeakPolarHBondContact CB-OD2 3.26Å; T357-D362 PolarHBondContact OG1-OD2 3.35Å
358	R	95.5	Very high	95.9	Very high	150 Å²	150	53.5 Å²	53.5	57%	0.566	27%	0.271	S	S	*	.	H	α-helix	trans	-85	-27.3	-174.8	-60.6	174.2	62.4	-177	-6	114	E354	E354-R358 WeakPolarHBondContact O-CA 2.87Å; E354-R358 WeakPolarHBondContact O-CB 3.5Å; E354-R358 VanDerWaalsContact O-CG 3.25Å; E354-R358 WeakPolarHBondContact O-CG 3.48Å; E354-R358 PolarHBondContact O-N 3.26Å; E354-R358 VanDerWaalsContact OE2-CD 3.26Å; E354-R358 WeakPolarHBondContact OE2-CD 3.45Å; E354-R358 IonicContact OE2-CZ 3.36Å; E354-R358 IonicContact OE2-NE 3.06Å; E354-R358 IonicContact OE2-NH1 2.69Å; E354-R358 PolarHBondContact OE2-NH1 2.85Å
359	A	96	Very high	95.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-26.1	-174.5	0	0	0	0	0	115	F294 I297 A298 L355	F294-A359 HydrophobicContact CB-CB 4.35Å; F294-A359 WeakPolarHBondContact O-CB 3.37Å; I297-A359 HydrophobicContact CB-CB 3.96Å; I297-A359 HydrophobicContact CG2-CB 3.84Å; A298-A359 HydrophobicContact CB-CB 4.15Å; L355-A359 HydrophobicContact CD1-CB 4.31Å; L355-A359 WeakPolarHBondContact O-CB 3.36Å; L355-A359 PolarHBondContact O-N 3.21Å
360	L	96.3	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-116.4	13.8	-170.2	-54.2	175.9	0	0	0	113.9	I297 Y301 M314 I318 L355 L356 D362 Q363 F366	I297-L360 HydrophobicContact CG2-CD2 4.03Å; Y301-L360 HydrophobicContact CD2-CD2 4.34Å; Y301-L360 HydrophobicContact CG-CD2 4.2Å; M314-L360 HydrophobicContact CE-CD2 4.23Å; I318-L360 HydrophobicContact CD1-CD1 3.63Å; I318-L360 HydrophobicContact CD1-CD2 4.36Å; L355-L360 HydrophobicContact CD1-CD1 4.28Å; L355-L360 HydrophobicContact CD2-CD1 4.3Å; L355-L360 HydrophobicContact CG-CD1 3.86Å; L355-L360 HydrophobicContact CG-CG 4.46Å; L355-L360 PolarHBondContact O-N 3.08Å; L356-L360 HydrophobicContact CD1-CB 4.42Å; L356-L360 CarbonylContact O-C 3.59Å; L356-L360 VanDerWaalsContact O-C 3.29Å; L356-L360 PolarHBondContact O-N 2.99Å; L360-D362 PolarHBondContact O-N 3.06Å; L360-D362 VanDerWaalsContact O-N 3.09Å; L360-Q363 WeakPolarHBondContact O-CB 3.48Å; L360-Q363 VanDerWaalsContact O-CG 3.28Å; L360-Q363 WeakPolarHBondContact O-CG 3.48Å; L360-Q363 PolarHBondContact O-N 2.81Å; L360-F366 HydrophobicContact CB-CD2 3.62Å; L360-F366 HydrophobicContact CB-CE2 3.96Å; L360-F366 HydrophobicContact CB-CG 4.33Å; L360-F366 HydrophobicContact CD1-CB 4.04Å; L360-F366 HydrophobicContact CD1-CD1 4.23Å; L360-F366 HydrophobicContact CD1-CD2 3.93Å; L360-F366 HydrophobicContact CD1-CE2 4.43Å; L360-F366 HydrophobicContact CD1-CG 3.82Å; L360-F366 HydrophobicContact CD2-CD2 4.27Å; L360-F366 HydrophobicContact CD2-CE2 3.97Å; L360-F366 HydrophobicContact CD2-CZ 4.17Å; L360-F366 HydrophobicContact CG-CD2 4.15Å; L360-F366 HydrophobicContact CG-CE2 4.34Å
361	N	93.9	Very high	96.1	Very high	111 Å²	111	53.9 Å²	53.9	59%	0.594	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	35.8	174.2	-62.6	-17.3	0	0	0	114.7	Y301 L356 Q363	Y301-N361 HydrophobicContact CE1-CB 4.45Å; L356-N361 PolarHBondContact O-N 2.83Å; N361-Q363 PolarHBondContact O-N 3.5Å; N361-Q363 VanDerWaalsContact O-N 3.1Å
362	D	94.4	Very high	96.2	Very high	62 Å²	62	54.5 Å²	54.5	33%	0.332	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	31.8	179	-102.9	-72.9	0	0	0	114.9	L356 T357 L360 R367	L356-D362 PolarHBondContact O-N 3.27Å; T357-D362 WeakPolarHBondContact CA-OD2 3.43Å; T357-D362 WeakPolarHBondContact CB-OD2 3.26Å; T357-D362 PolarHBondContact OG1-OD2 3.35Å; L360-D362 PolarHBondContact O-N 3.06Å; L360-D362 VanDerWaalsContact O-N 3.09Å; D362-R367 PolarHBondContact O-NH1 3.06Å; D362-R367 PolarHBondContact O-NH2 3.29Å; D362-R367 IonicContact OD1-NH1 3.16Å; D362-R367 PolarHBondContact OD1-NH1 3.44Å
363	Q	95.3	Very high	96.3	Very high	77 Å²	77	54.3 Å²	54.3	36%	0.36	28%	0.277	S	S	.	.			trans	-66.1	143.7	-178.5	-72.7	-73.2	0.1	0	0	113	Y301 L360 N361 I365 F366 R367	Y301-Q363 WeakPolarHBondContact OH-CG 3.46Å; L360-Q363 WeakPolarHBondContact O-CB 3.48Å; L360-Q363 VanDerWaalsContact O-CG 3.28Å; L360-Q363 WeakPolarHBondContact O-CG 3.48Å; L360-Q363 PolarHBondContact O-N 2.81Å; N361-Q363 PolarHBondContact O-N 3.5Å; N361-Q363 VanDerWaalsContact O-N 3.1Å; Q363-I365 VanDerWaalsContact C-N 3.35Å; Q363-I365 HydrophobicContact CB-CG2 4.38Å; Q363-I365 PolarHBondContact O-N 2.89Å; Q363-F366 HydrophobicContact CB-CD2 3.84Å; Q363-F366 HydrophobicContact CB-CE2 4.19Å; Q363-R367 WeakPolarHBondContact O-CB 3.45Å; Q363-R367 PolarHBondContact O-N 3.2Å; Q363-R367 VanDerWaalsContact O-N 3.1Å
364	T	96.2	Very high	96.4	Very high	84 Å²	84	51.3 Å²	51.3	52%	0.515	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-38	-174.9	48.9	0	0	0	0	113.1	R367 N368	T364-R367 PolarHBondContact O-N 3.35Å; T364-N368 VanDerWaalsContact O-CB 3.26Å; T364-N368 WeakPolarHBondContact O-CB 3.38Å; T364-N368 PolarHBondContact O-N 3.37Å; T364-N368 PolarHBondContact O-ND2 3.5Å; T364-N368 PolarHBondContact O-OD1 3.17Å
365	I	96.4	Very high	96.5	Very high	61 Å²	61	50.8 Å²	50.8	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-58.4	-55.5	179.7	-172.7	170.7	0	0	0	111.5	P311 K312 Q363 N368 Q369	P311-I365 HydrophobicContact CB-CG2 4.38Å; K312-I365 HydrophobicContact CB-CD1 4.48Å; K312-I365 HydrophobicContact CG-CD1 4Å; Q363-I365 VanDerWaalsContact C-N 3.35Å; Q363-I365 HydrophobicContact CB-CG2 4.38Å; Q363-I365 PolarHBondContact O-N 2.89Å; I365-N368 PolarHBondContact O-N 3.06Å; I365-Q369 WeakPolarHBondContact O-CB 3.39Å; I365-Q369 PolarHBondContact O-N 3.1Å
366	F	97.7	Very high	96.5	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-41.1	-179.9	-51	-62.7	0	0	0	111.9	Y301 P311 M314 I318 L356 L360 Q363 N368 Q369 I370	Y301-F366 AromaticContact CD2-CE2 3.85Å; Y301-F366 HydrophobicContact CD2-CE2 3.85Å; Y301-F366 AromaticContact CD2-CZ 3.88Å; Y301-F366 HydrophobicContact CD2-CZ 3.88Å; Y301-F366 AromaticContact CE2-CE2 3.59Å; Y301-F366 HydrophobicContact CE2-CE2 3.59Å; Y301-F366 AromaticContact CE2-CZ 3.86Å; Y301-F366 HydrophobicContact CE2-CZ 3.86Å; P311-F366 HydrophobicContact CB-CZ 4.11Å; P311-F366 VanDerWaalsContact O-CE1 3.28Å; P311-F366 WeakPolarHBondContact O-CE1 3.46Å; M314-F366 HydrophobicContact CB-CE1 3.88Å; M314-F366 HydrophobicContact CB-CZ 4.18Å; I318-F366 HydrophobicContact CD1-CD1 3.93Å; I318-F366 HydrophobicContact CD1-CE1 4.07Å; L356-F366 HydrophobicContact CD1-CB 3.95Å; L360-F366 HydrophobicContact CB-CD2 3.62Å; L360-F366 HydrophobicContact CB-CE2 3.96Å; L360-F366 HydrophobicContact CB-CG 4.33Å; L360-F366 HydrophobicContact CD1-CB 4.04Å; L360-F366 HydrophobicContact CD1-CD1 4.23Å; L360-F366 HydrophobicContact CD1-CD2 3.93Å; L360-F366 HydrophobicContact CD1-CE2 4.43Å; L360-F366 HydrophobicContact CD1-CG 3.82Å; L360-F366 HydrophobicContact CD2-CD2 4.27Å; L360-F366 HydrophobicContact CD2-CE2 3.97Å; L360-F366 HydrophobicContact CD2-CZ 4.17Å; L360-F366 HydrophobicContact CG-CD2 4.15Å; L360-F366 HydrophobicContact CG-CE2 4.34Å; Q363-F366 HydrophobicContact CB-CD2 3.84Å; Q363-F366 HydrophobicContact CB-CE2 4.19Å; F366-N368 VanDerWaalsContact C-N 3.3Å; F366-N368 PolarHBondContact O-N 2.93Å; F366-Q369 PolarHBondContact O-N 3.38Å; F366-I370 HydrophobicContact CB-CD1 4.48Å; F366-I370 VanDerWaalsContact O-CB 3.31Å; F366-I370 WeakPolarHBondContact O-CB 3.2Å; F366-I370 WeakPolarHBondContact O-CD1 3.5Å; F366-I370 WeakPolarHBondContact O-CG1 3.35Å; F366-I370 PolarHBondContact O-N 3.06Å
367	R	97.2	Very high	96.4	Very high	80 Å²	80	54.7 Å²	54.7	30%	0.302	27%	0.272	S	S	.	.	H	α-helix	trans	-59.8	-41.3	176.8	-177.9	163.5	53.4	-110.7	-11.8	111.9	L356 D362 Q363 T364 N371	L356-R367 HydrophobicContact CD1-CB 4.24Å; L356-R367 HydrophobicContact CD2-CB 3.81Å; L356-R367 HydrophobicContact CD2-CG 4.01Å; D362-R367 PolarHBondContact O-NH1 3.06Å; D362-R367 PolarHBondContact O-NH2 3.29Å; D362-R367 IonicContact OD1-NH1 3.16Å; D362-R367 PolarHBondContact OD1-NH1 3.44Å; Q363-R367 WeakPolarHBondContact O-CB 3.45Å; Q363-R367 PolarHBondContact O-N 3.2Å; Q363-R367 VanDerWaalsContact O-N 3.1Å; T364-R367 PolarHBondContact O-N 3.35Å; R367-N371 WeakPolarHBondContact O-CB 3.35Å; R367-N371 PolarHBondContact O-N 3.15Å; R367-N371 PolarHBondContact O-ND2 2.91Å; R367-N371 VanDerWaalsContact O-ND2 3.08Å
368	N	96.9	Very high	96.4	Very high	102 Å²	102	50.9 Å²	50.9	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-69.8	-42	177.6	-69.5	-8.1	0	0	0	111.6	T364 I365 F366 N371 S372	T364-N368 VanDerWaalsContact O-CB 3.26Å; T364-N368 WeakPolarHBondContact O-CB 3.38Å; T364-N368 PolarHBondContact O-N 3.37Å; T364-N368 PolarHBondContact O-ND2 3.5Å; T364-N368 PolarHBondContact O-OD1 3.17Å; I365-N368 PolarHBondContact O-N 3.06Å; F366-N368 VanDerWaalsContact C-N 3.3Å; F366-N368 PolarHBondContact O-N 2.93Å; N368-N371 PolarHBondContact O-N 3.08Å; N368-S372 PolarHBondContact O-N 3.29Å
369	Q	97.6	Very high	96.4	Very high	50 Å²	50	45.5 Å²	45.5	23%	0.234	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-51.2	176.5	-170.6	61.2	61	0	0	111.6	S315 S319 I365 F366 N371 S372 D373	S315-Q369 WeakPolarHBondContact OG-CB 3.45Å; S315-Q369 WeakPolarHBondContact OG-CG 3.26Å; S319-Q369 PolarHBondContact OG-NE2 3.06Å; I365-Q369 WeakPolarHBondContact O-CB 3.39Å; I365-Q369 PolarHBondContact O-N 3.1Å; F366-Q369 PolarHBondContact O-N 3.38Å; Q369-N371 VanDerWaalsContact C-N 3.31Å; Q369-N371 PolarHBondContact O-N 3.46Å; Q369-S372 WeakPolarHBondContact O-CB 3.38Å; Q369-S372 PolarHBondContact O-N 3.02Å; Q369-D373 PolarHBondContact NE2-OD1 2.76Å; Q369-D373 PolarHBondContact NE2-OD2 3.4Å; Q369-D373 WeakPolarHBondContact O-CB 3.38Å; Q369-D373 PolarHBondContact O-N 2.71Å
370	I	97.6	Very high	96.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.2	-46	176.3	-69.7	165.8	0	0	0	110.4	L322 A352 L356 F366 S372 D373 F374	L322-I370 HydrophobicContact CD2-CB 4.21Å; L322-I370 HydrophobicContact CD2-CG1 3.95Å; L322-I370 HydrophobicContact CD2-CG2 4.03Å; A352-I370 HydrophobicContact CB-CG2 4.07Å; L356-I370 HydrophobicContact CB-CD1 4.35Å; F366-I370 HydrophobicContact CB-CD1 4.48Å; F366-I370 VanDerWaalsContact O-CB 3.31Å; F366-I370 WeakPolarHBondContact O-CB 3.2Å; F366-I370 WeakPolarHBondContact O-CD1 3.5Å; F366-I370 WeakPolarHBondContact O-CG1 3.35Å; F366-I370 PolarHBondContact O-N 3.06Å; I370-S372 PolarHBondContact O-N 2.9Å; I370-D373 PolarHBondContact O-N 3.37Å; I370-F374 HydrophobicContact CG2-CD2 3.91Å; I370-F374 HydrophobicContact CG2-CE2 4.08Å; I370-F374 WeakPolarHBondContact O-CD2 3.31Å; I370-F374 PolarHBondContact O-N 2.92Å
371	N	96.9	Very high	96	Very high	52 Å²	52	49.9 Å²	49.9	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-42.7	176.4	-76.7	-30.1	0	0	0	112.7	R349 R367 N368 Q369 D373 E375 Y421	R349-N371 PolarHBondContact NH2-OD1 2.99Å; R367-N371 WeakPolarHBondContact O-CB 3.35Å; R367-N371 PolarHBondContact O-N 3.15Å; R367-N371 PolarHBondContact O-ND2 2.91Å; R367-N371 VanDerWaalsContact O-ND2 3.08Å; N368-N371 PolarHBondContact O-N 3.08Å; Q369-N371 VanDerWaalsContact C-N 3.31Å; Q369-N371 PolarHBondContact O-N 3.46Å; N371-D373 VanDerWaalsContact C-N 3.31Å; N371-D373 PolarHBondContact O-N 2.87Å; N371-E375 PolarHBondContact O-N 2.91Å; N371-Y421 HydrophobicContact CB-CE1 4.12Å; N371-Y421 PolarHBondContact OD1-OH 3.44Å
372	S	97.2	Very high	95.8	Very high	58 Å²	58	48.2 Å²	48.2	41%	0.406	25%	0.25	S	C	.	.	H	α-helix	trans	-65.7	-34.1	176.4	-176.6	0	0	0	0	112.4	N368 Q369 I370 E375 Y376	N368-S372 PolarHBondContact O-N 3.29Å; Q369-S372 WeakPolarHBondContact O-CB 3.38Å; Q369-S372 PolarHBondContact O-N 3.02Å; I370-S372 PolarHBondContact O-N 2.9Å; S372-E375 PolarHBondContact O-N 3.33Å; S372-Y376 WeakPolarHBondContact O-CB 3.26Å; S372-Y376 PolarHBondContact O-N 3.03Å
373	D	97.9	Very high	95.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.3	-43.4	-179.9	-63.6	-19.1	0	0	0	111.3	S319 L322 R323 Q369 I370 N371 E375 Y376 F377	S319-D373 VanDerWaalsContact CA-OD2 3.23Å; S319-D373 WeakPolarHBondContact CA-OD2 3.5Å; S319-D373 WeakPolarHBondContact CB-OD2 3.19Å; S319-D373 PolarHBondContact OG-OD1 2.69Å; S319-D373 PolarHBondContact OG-OD2 3.26Å; L322-D373 HydrophobicContact CD2-CB 4.1Å; L322-D373 HydrophobicContact CG-CB 4.45Å; R323-D373 HydrophobicContact CG-CB 4.03Å; R323-D373 IonicContact CZ-OD1 2.69Å; R323-D373 IonicContact NE-OD1 3.05Å; R323-D373 PolarHBondContact NE-OD1 3.23Å; R323-D373 IonicContact NH2-OD1 3.77Å; R323-D373 PolarHBondContact NH2-OD1 2.69Å; Q369-D373 PolarHBondContact NE2-OD1 2.76Å; Q369-D373 PolarHBondContact NE2-OD2 3.4Å; Q369-D373 WeakPolarHBondContact O-CB 3.38Å; Q369-D373 PolarHBondContact O-N 2.71Å; I370-D373 PolarHBondContact O-N 3.37Å; N371-D373 VanDerWaalsContact C-N 3.31Å; N371-D373 PolarHBondContact O-N 2.87Å; D373-E375 VanDerWaalsContact C-N 3.33Å; D373-E375 PolarHBondContact O-N 2.72Å; D373-Y376 WeakPolarHBondContact O-CB 3.49Å; D373-Y376 PolarHBondContact O-N 3.16Å; D373-Y376 VanDerWaalsContact O-N 3.12Å; D373-F377 HydrophobicContact CB-CE1 4.31Å; D373-F377 WeakPolarHBondContact O-CD1 3.38Å; D373-F377 VanDerWaalsContact O-CE1 3.26Å; D373-F377 WeakPolarHBondContact O-CE1 3.43Å; D373-F377 WeakPolarHBondContact O-CG 3.25Å; D373-F377 PolarHBondContact O-N 3.5Å
374	F	97.9	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-41.5	170.7	-90.4	-88.3	0	0	0	111.9	L322 L348 R349 A352 I370 Y376 F377 V378 L418 Y421	L322-F374 HydrophobicContact CD1-CE2 3.94Å; L322-F374 HydrophobicContact CD1-CZ 4.35Å; L322-F374 HydrophobicContact CD2-CD2 4.21Å; L322-F374 HydrophobicContact CD2-CE2 3.98Å; L322-F374 HydrophobicContact CG-CE2 4.37Å; L348-F374 HydrophobicContact CB-CZ 4.3Å; L348-F374 HydrophobicContact CD2-CZ 4.32Å; L348-F374 HydrophobicContact CG-CZ 3.96Å; R349-F374 VanDerWaalsContact CA-CZ 3.41Å; R349-F374 HydrophobicContact CB-CE1 3.71Å; R349-F374 HydrophobicContact CB-CZ 3.75Å; R349-F374 VanDerWaalsContact CD-CE1 3.49Å; R349-F374 VanDerWaalsContact CD-CZ 3.44Å; R349-F374 HydrophobicContact CG-CE1 4.18Å; R349-F374 HydrophobicContact CG-CZ 4.22Å; A352-F374 HydrophobicContact CB-CE2 3.92Å; A352-F374 HydrophobicContact CB-CZ 4.43Å; I370-F374 HydrophobicContact CG2-CD2 3.91Å; I370-F374 HydrophobicContact CG2-CE2 4.08Å; I370-F374 WeakPolarHBondContact O-CD2 3.31Å; I370-F374 PolarHBondContact O-N 2.92Å; F374-Y376 VanDerWaalsContact C-N 3.34Å; F374-Y376 PolarHBondContact O-N 2.95Å; F374-F377 HydrophobicContact CB-CZ 4.26Å; F374-F377 AromaticContact CD1-CE2 3.62Å; F374-F377 HydrophobicContact CD1-CE2 3.62Å; F374-F377 AromaticContact CD1-CZ 3.46Å; F374-F377 HydrophobicContact CD1-CZ 3.46Å; F374-F377 VanDerWaalsContact CD1-CZ 3.46Å; F374-F377 HydrophobicContact CD2-CE1 4.34Å; F374-F377 AromaticContact CD2-CZ 3.84Å; F374-F377 HydrophobicContact CD2-CZ 3.84Å; F374-F377 AromaticContact CE1-CE2 3.76Å; F374-F377 HydrophobicContact CE1-CE2 3.76Å; F374-F377 AromaticContact CE1-CZ 3.54Å; F374-F377 HydrophobicContact CE1-CZ 3.54Å; F374-F377 AromaticContact CE2-CZ 3.91Å; F374-F377 HydrophobicContact CE2-CZ 3.91Å; F374-F377 HydrophobicContact CG-CE1 4.28Å; F374-F377 HydrophobicContact CG-CE2 4.15Å; F374-F377 AromaticContact CG-CZ 3.6Å; F374-F377 HydrophobicContact CG-CZ 3.6Å; F374-F377 HydrophobicContact CZ-CE2 4.39Å; F374-F377 AromaticContact CZ-CZ 3.75Å; F374-F377 HydrophobicContact CZ-CZ 3.75Å; F374-V378 HydrophobicContact CD1-CG2 4.44Å; F374-V378 WeakPolarHBondContact O-CB 3.4Å; F374-V378 WeakPolarHBondContact O-CG2 3.43Å; F374-V378 PolarHBondContact O-N 3.12Å; F374-V378 VanDerWaalsContact O-N 3.08Å; F374-L418 HydrophobicContact CD1-CD2 4.44Å; F374-Y421 HydrophobicContact CB-CD1 4.13Å; F374-Y421 HydrophobicContact CB-CD2 3.71Å; F374-Y421 HydrophobicContact CB-CE1 4.06Å; F374-Y421 HydrophobicContact CB-CE2 3.64Å; F374-Y421 HydrophobicContact CB-CG 3.99Å; F374-Y421 HydrophobicContact CD1-CD2 4.36Å; F374-Y421 HydrophobicContact CD1-CE2 4.2Å; F374-Y421 HydrophobicContact CG-CD2 4.36Å; F374-Y421 HydrophobicContact CG-CE2 4.02Å
375	E	96.2	Very high	95.4	Very high	81 Å²	81	40.7 Å²	40.7	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-42	171.8	-162.9	-171.8	148.2	0	0	111.8	N371 S372 D373 N379 Y421 Q423	N371-E375 PolarHBondContact O-N 2.91Å; S372-E375 PolarHBondContact O-N 3.33Å; D373-E375 VanDerWaalsContact C-N 3.33Å; D373-E375 PolarHBondContact O-N 2.72Å; E375-N379 PolarHBondContact O-ND2 3.41Å; E375-Y421 HydrophobicContact CB-CD1 4.36Å; E375-Q423 PolarHBondContact OE1-NE2 3.46Å
376	Y	96.4	Very high	95.3	Very high	94 Å²	94	38 Å²	38	37%	0.369	19%	0.191	S	C	.	.	H	α-helix	trans	-59.8	-59	178	170.7	-99.1	0	0	0	112.2	R323 S372 D373 F374 L380	R323-Y376 HydrophobicContact CG-CD1 4.05Å; R323-Y376 HydrophobicContact CG-CE1 4.46Å; S372-Y376 WeakPolarHBondContact O-CB 3.26Å; S372-Y376 PolarHBondContact O-N 3.03Å; D373-Y376 WeakPolarHBondContact O-CB 3.49Å; D373-Y376 PolarHBondContact O-N 3.16Å; D373-Y376 VanDerWaalsContact O-N 3.12Å; F374-Y376 VanDerWaalsContact C-N 3.34Å; F374-Y376 PolarHBondContact O-N 2.95Å; Y376-L380 HydrophobicContact CD1-CD1 4.47Å; Y376-L380 HydrophobicContact CE1-CD1 3.84Å; Y376-L380 HydrophobicContact CE1-CG 4.49Å; Y376-L380 HydrophobicContact CE2-CD2 4.33Å
377	F	95.7	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-77.6	-33.5	-172.3	58.4	-106.1	0	0	0	114	L322 V330 L345 L348 D373 F374 N379 L380	L322-F377 HydrophobicContact CD1-CE1 4.44Å; L322-F377 HydrophobicContact CD1-CZ 4.47Å; L322-F377 HydrophobicContact CG-CE1 4.08Å; L322-F377 WeakPolarHBondContact O-CE1 3.42Å; V330-F377 HydrophobicContact CG1-CD2 4.16Å; L345-F377 HydrophobicContact CD2-CD2 4.04Å; L345-F377 HydrophobicContact CD2-CE2 3.71Å; L348-F377 HydrophobicContact CD2-CE2 4.1Å; L348-F377 HydrophobicContact CD2-CZ 3.87Å; D373-F377 HydrophobicContact CB-CE1 4.31Å; D373-F377 WeakPolarHBondContact O-CD1 3.38Å; D373-F377 VanDerWaalsContact O-CE1 3.26Å; D373-F377 WeakPolarHBondContact O-CE1 3.43Å; D373-F377 WeakPolarHBondContact O-CG 3.25Å; D373-F377 PolarHBondContact O-N 3.5Å; F374-F377 HydrophobicContact CB-CZ 4.26Å; F374-F377 AromaticContact CD1-CE2 3.62Å; F374-F377 HydrophobicContact CD1-CE2 3.62Å; F374-F377 AromaticContact CD1-CZ 3.46Å; F374-F377 HydrophobicContact CD1-CZ 3.46Å; F374-F377 VanDerWaalsContact CD1-CZ 3.46Å; F374-F377 HydrophobicContact CD2-CE1 4.34Å; F374-F377 AromaticContact CD2-CZ 3.84Å; F374-F377 HydrophobicContact CD2-CZ 3.84Å; F374-F377 AromaticContact CE1-CE2 3.76Å; F374-F377 HydrophobicContact CE1-CE2 3.76Å; F374-F377 AromaticContact CE1-CZ 3.54Å; F374-F377 HydrophobicContact CE1-CZ 3.54Å; F374-F377 AromaticContact CE2-CZ 3.91Å; F374-F377 HydrophobicContact CE2-CZ 3.91Å; F374-F377 HydrophobicContact CG-CE1 4.28Å; F374-F377 HydrophobicContact CG-CE2 4.15Å; F374-F377 AromaticContact CG-CZ 3.6Å; F374-F377 HydrophobicContact CG-CZ 3.6Å; F374-F377 HydrophobicContact CZ-CE2 4.39Å; F374-F377 AromaticContact CZ-CZ 3.75Å; F374-F377 HydrophobicContact CZ-CZ 3.75Å; F377-N379 PolarHBondContact O-N 2.89Å; F377-N379 VanDerWaalsContact O-N 3.16Å; F377-L380 HydrophobicContact CB-CD1 4.18Å; F377-L380 WeakPolarHBondContact O-CB 3.46Å; F377-L380 PolarHBondContact O-N 2.69Å
378	V	95.4	Very high	95	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-31.1	178.1	171.5	0	0	0	0	111.7	L345 F374 S384 L422	L345-V378 HydrophobicContact CD1-CG2 4.38Å; L345-V378 HydrophobicContact CD2-CG2 4.13Å; F374-V378 HydrophobicContact CD1-CG2 4.44Å; F374-V378 WeakPolarHBondContact O-CB 3.4Å; F374-V378 WeakPolarHBondContact O-CG2 3.43Å; F374-V378 PolarHBondContact O-N 3.12Å; F374-V378 VanDerWaalsContact O-N 3.08Å; V378-S384 VanDerWaalsContact O-CB 3.28Å; V378-S384 WeakPolarHBondContact O-CB 3.42Å; V378-S384 PolarHBondContact O-OG 3.48Å; V378-L422 HydrophobicContact CG1-CD2 3.75Å
379	N	94.4	Very high	94.9	Very high	37 Å²	37	29.7 Å²	29.7	20%	0.198	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.5	177.6	-64.1	-67.4	0	0	0	114.9	E375 F377 N381 Y421 Q423	E375-N379 PolarHBondContact O-ND2 3.41Å; F377-N379 PolarHBondContact O-N 2.89Å; F377-N379 VanDerWaalsContact O-N 3.16Å; N379-N381 PolarHBondContact O-N 3.02Å; N379-Y421 PolarHBondContact ND2-O 2.75Å; N379-Q423 PolarHBondContact OD1-N 3.47Å
380	L	93.9	Very high	94.7	Very high	82 Å²	82	28.8 Å²	28.8	43%	0.429	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.9	171.4	-67.6	175.5	0	0	0	112	R327 V330 Y376 F377 P382	R327-L380 HydrophobicContact CG-CD1 3.8Å; V330-L380 HydrophobicContact CG2-CB 4.13Å; Y376-L380 HydrophobicContact CD1-CD1 4.47Å; Y376-L380 HydrophobicContact CE1-CD1 3.84Å; Y376-L380 HydrophobicContact CE1-CG 4.49Å; Y376-L380 HydrophobicContact CE2-CD2 4.33Å; F377-L380 HydrophobicContact CB-CD1 4.18Å; F377-L380 WeakPolarHBondContact O-CB 3.46Å; F377-L380 PolarHBondContact O-N 2.69Å; L380-P382 WeakPolarHBondContact O-CD 3.14Å
381	N	90.9	Very high	94.4	Very high	11 Å²	11	29 Å²	29	6%	0.059	15%	0.15	C	C	.	.	S	Bend	trans	-93.2	109.3	171.7	176.8	11.4	0	0	0	110.2	V330 H341 N379 R383 S384 F387	V330-N381 HydrophobicContact CB-CB 4.16Å; H341-N381 PolarHBondContact CE1-ND2 3.04Å; H341-N381 PolarHBondContact NE2-ND2 2.96Å; N379-N381 PolarHBondContact O-N 3.02Å; N381-R383 PolarHBondContact O-N 3.14Å; N381-R383 WeakPolarHBondContact OD1-CA 3.28Å; N381-R383 VanDerWaalsContact OD1-CB 3.25Å; N381-R383 WeakPolarHBondContact OD1-CB 3.18Å; N381-R383 PolarHBondContact OD1-N 3.41Å; N381-S384 PolarHBondContact O-N 3.12Å; N381-S384 VanDerWaalsContact O-N 3.08Å; N381-S384 PolarHBondContact O-OG 3.08Å; N381-S384 VanDerWaalsContact O-OG 3.13Å; N381-F387 WeakPolarHBondContact ND2-CE2 3.28Å
382	P	89.3	Confident	94.3	Very high	77 Å²	77	26.6 Å²	26.6	50%	0.5	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	3.1	178.1	30.6	-36.7	0	0	0	113.5	L380 R739	L380-P382 WeakPolarHBondContact O-CD 3.14Å; P382-R739 PolarHBondContact O-NH2 3.4Å
383	R	90.7	Very high	94	Very high	59 Å²	59	24.3 Å²	24.3	22%	0.223	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-4.6	174.6	-50.1	179	64.9	-169.9	3.8	113.4	D332 N381 P385 E386 F387 R735	D332-R383 IonicContact OD2-NH1 3.33Å; D332-R383 PolarHBondContact OD2-NH1 2.9Å; N381-R383 PolarHBondContact O-N 3.14Å; N381-R383 WeakPolarHBondContact OD1-CA 3.28Å; N381-R383 VanDerWaalsContact OD1-CB 3.25Å; N381-R383 WeakPolarHBondContact OD1-CB 3.18Å; N381-R383 PolarHBondContact OD1-N 3.41Å; R383-P385 VanDerWaalsContact C-CD 3.44Å; R383-P385 VanDerWaalsContact C-N 3.28Å; R383-E386 IonicContact CZ-OE2 3.9Å; R383-E386 IonicContact NE-OE2 2.73Å; R383-E386 PolarHBondContact NE-OE2 3.35Å; R383-E386 IonicContact NH2-OE1 2.71Å; R383-E386 IonicContact NH2-OE2 3.68Å; R383-E386 PolarHBondContact NH2-OE2 2.65Å; R383-E386 WeakPolarHBondContact O-CA 3.41Å; R383-E386 VanDerWaalsContact O-CB 3.3Å; R383-E386 WeakPolarHBondContact O-CB 3.25Å; R383-E386 PolarHBondContact O-N 3.02Å; R383-F387 HydrophobicContact CB-CD1 4.14Å; R383-F387 HydrophobicContact CB-CD2 4.45Å; R383-F387 HydrophobicContact CB-CE1 3.83Å; R383-F387 HydrophobicContact CB-CE2 4.17Å; R383-F387 HydrophobicContact CB-CG 4.47Å; R383-F387 HydrophobicContact CB-CZ 3.86Å; R383-F387 VanDerWaalsContact CZ-CE1 3.45Å; R383-F387 WeakPolarHBondContact O-CG 3.49Å; R383-F387 PolarHBondContact O-N 3.39Å; R383-R735 VanDerWaalsContact NH2-NH2 3.17Å
384	S	93.1	Very high	93.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-51.2	-39.3	175.3	-59.8	0	0	0	0	113.8	V378 N381 E386 F387 L388	V378-S384 VanDerWaalsContact O-CB 3.28Å; V378-S384 WeakPolarHBondContact O-CB 3.42Å; V378-S384 PolarHBondContact O-OG 3.48Å; N381-S384 PolarHBondContact O-N 3.12Å; N381-S384 VanDerWaalsContact O-N 3.08Å; N381-S384 PolarHBondContact O-OG 3.08Å; N381-S384 VanDerWaalsContact O-OG 3.13Å; S384-E386 PolarHBondContact O-N 3.5Å; S384-F387 PolarHBondContact O-N 3.21Å; S384-L388 WeakPolarHBondContact O-CB 3.26Å; S384-L388 PolarHBondContact O-N 3.24Å
385	P	94.6	Very high	93	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-35.7	171.6	-23.7	34.9	0	0	0	114.6	R383 S389 L422 E424 L427 F428	R383-P385 VanDerWaalsContact C-CD 3.44Å; R383-P385 VanDerWaalsContact C-N 3.28Å; P385-S389 VanDerWaalsContact O-CB 3.29Å; P385-S389 WeakPolarHBondContact O-CB 3.42Å; P385-S389 PolarHBondContact O-N 2.63Å; P385-L422 HydrophobicContact CG-CD2 4.19Å; P385-E424 HydrophobicContact CG-CB 4.19Å; P385-L427 HydrophobicContact CB-CB 4.31Å; P385-L427 HydrophobicContact CB-CD2 4.37Å; P385-L427 HydrophobicContact CB-CG 4.19Å; P385-L427 HydrophobicContact CG-CD2 4.31Å; P385-F428 HydrophobicContact CB-CB 4.12Å
386	E	92.9	Very high	92.6	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-67.3	-47.9	173.5	-179.8	-169.8	-155.3	0	0	109.9	R383 S384 S389 L390 Y431 R735	R383-E386 IonicContact CZ-OE2 3.9Å; R383-E386 IonicContact NE-OE2 2.73Å; R383-E386 PolarHBondContact NE-OE2 3.35Å; R383-E386 IonicContact NH2-OE1 2.71Å; R383-E386 IonicContact NH2-OE2 3.68Å; R383-E386 PolarHBondContact NH2-OE2 2.65Å; R383-E386 WeakPolarHBondContact O-CA 3.41Å; R383-E386 VanDerWaalsContact O-CB 3.3Å; R383-E386 WeakPolarHBondContact O-CB 3.25Å; R383-E386 PolarHBondContact O-N 3.02Å; S384-E386 PolarHBondContact O-N 3.5Å; E386-S389 WeakPolarHBondContact O-CB 3.2Å; E386-S389 PolarHBondContact O-N 3.41Å; E386-L390 HydrophobicContact CG-CD1 3.84Å; E386-L390 HydrophobicContact CG-CG 4.44Å; E386-L390 WeakPolarHBondContact O-CG 3.46Å; E386-L390 PolarHBondContact O-N 2.91Å; E386-Y431 HydrophobicContact CB-CD2 3.96Å; E386-Y431 HydrophobicContact CB-CE2 3.79Å; E386-Y431 HydrophobicContact CB-CG 4.44Å; E386-Y431 HydrophobicContact CG-CE1 4.49Å; E386-R735 IonicContact OE1-CZ 2.68Å; E386-R735 IonicContact OE1-NE 3.28Å; E386-R735 PolarHBondContact OE1-NE 3.3Å; E386-R735 IonicContact OE1-NH2 3.66Å; E386-R735 PolarHBondContact OE1-NH2 3.43Å; E386-R735 IonicContact OE2-CZ 3.77Å; E386-R735 IonicContact OE2-NE 2.69Å; E386-R735 PolarHBondContact OE2-NE 2.73Å; E386-R735 IonicContact OE2-NH2 3.07Å
387	F	93.7	Very high	91.9	Very high	7 Å²	7	24 Å²	24	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-44.8	-172.2	-68.2	-3.2	0	0	0	112.4	P338 H341 I342 N381 R383 S384 S389 L390 F391	P338-F387 HydrophobicContact CB-CB 4.14Å; P338-F387 HydrophobicContact CB-CD1 3.61Å; P338-F387 HydrophobicContact CB-CE1 4.09Å; P338-F387 HydrophobicContact CB-CG 3.87Å; P338-F387 HydrophobicContact CG-CD1 3.82Å; P338-F387 HydrophobicContact CG-CE1 3.8Å; P338-F387 HydrophobicContact CG-CG 4.48Å; P338-F387 HydrophobicContact CG-CZ 4.45Å; H341-F387 HydrophobicContact CB-CD2 4.05Å; H341-F387 HydrophobicContact CB-CE2 4.38Å; H341-F387 AromaticContact CD2-CD2 3.59Å; H341-F387 AromaticContact CE1-CE2 3.98Å; H341-F387 AromaticContact CG-CD2 3.7Å; H341-F387 AromaticContact CG-CE2 3.96Å; H341-F387 AromaticContact ND1-CE2 3.88Å; H341-F387 AromaticContact NE2-CD2 3.85Å; I342-F387 HydrophobicContact CD1-CB 3.98Å; I342-F387 HydrophobicContact CG1-CB 3.95Å; N381-F387 WeakPolarHBondContact ND2-CE2 3.28Å; R383-F387 HydrophobicContact CB-CD1 4.14Å; R383-F387 HydrophobicContact CB-CD2 4.45Å; R383-F387 HydrophobicContact CB-CE1 3.83Å; R383-F387 HydrophobicContact CB-CE2 4.17Å; R383-F387 HydrophobicContact CB-CG 4.47Å; R383-F387 HydrophobicContact CB-CZ 3.86Å; R383-F387 VanDerWaalsContact CZ-CE1 3.45Å; R383-F387 WeakPolarHBondContact O-CG 3.49Å; R383-F387 PolarHBondContact O-N 3.39Å; S384-F387 PolarHBondContact O-N 3.21Å; F387-S389 VanDerWaalsContact C-N 3.27Å; F387-S389 PolarHBondContact O-N 3.09Å; F387-L390 PolarHBondContact O-N 2.85Å; F387-F391 WeakPolarHBondContact O-CB 3.31Å; F387-F391 PolarHBondContact O-N 3.15Å
388	L	95.8	Very high	90.6	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-40.3	175.2	-173.1	63.1	0	0	0	110.9	I342 S384 F391 I392 C415 L418 F419 L422 F428	I342-L388 HydrophobicContact CD1-CB 3.97Å; I342-L388 HydrophobicContact CD1-CD1 4.26Å; I342-L388 HydrophobicContact CG2-CD1 3.95Å; S384-L388 WeakPolarHBondContact O-CB 3.26Å; S384-L388 PolarHBondContact O-N 3.24Å; L388-F391 PolarHBondContact O-N 2.8Å; L388-I392 HydrophobicContact CD1-CD1 4.28Å; L388-I392 HydrophobicContact CG-CD1 4.01Å; L388-I392 WeakPolarHBondContact O-CD1 3.47Å; L388-I392 VanDerWaalsContact O-CG1 3.3Å; L388-I392 WeakPolarHBondContact O-CG1 3.27Å; L388-I392 PolarHBondContact O-N 2.69Å; L388-I392 VanDerWaalsContact O-N 3.11Å; L388-C415 HydrophobicContact CD1-CB 4.11Å; L388-L418 HydrophobicContact CD1-CB 4.37Å; L388-L418 HydrophobicContact CD1-CD1 4.49Å; L388-L418 HydrophobicContact CD2-CB 4.4Å; L388-F419 HydrophobicContact CD2-CB 3.94Å; L388-L422 HydrophobicContact CD2-CD1 3.82Å; L388-F428 HydrophobicContact CB-CD2 4.36Å; L388-F428 HydrophobicContact CB-CE2 4.13Å; L388-F428 HydrophobicContact CD2-CD2 4.35Å; L388-F428 HydrophobicContact CD2-CE2 4.04Å; L388-F428 HydrophobicContact CG-CD2 4.49Å; L388-F428 HydrophobicContact CG-CE2 3.93Å
389	S	95.2	Very high	88.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-41.7	176.2	-166.3	0	0	0	0	112.6	P385 E386 F387 D393 Y432 H435	P385-S389 VanDerWaalsContact O-CB 3.29Å; P385-S389 WeakPolarHBondContact O-CB 3.42Å; P385-S389 PolarHBondContact O-N 2.63Å; E386-S389 WeakPolarHBondContact O-CB 3.2Å; E386-S389 PolarHBondContact O-N 3.41Å; F387-S389 VanDerWaalsContact C-N 3.27Å; F387-S389 PolarHBondContact O-N 3.09Å; S389-D393 WeakPolarHBondContact O-CB 3.36Å; S389-D393 PolarHBondContact O-N 2.99Å; S389-Y432 WeakPolarHBondContact OG-CA 3.45Å; S389-Y432 PolarHBondContact OG-N 2.89Å; S389-Y432 VanDerWaalsContact OG-N 3.07Å; S389-H435 PolarHBondContact OG-ND1 3.28Å
390	L	92.2	Very high	86.8	Confident	32 Å²	32	32.2 Å²	32.2	17%	0.168	15%	0.154	C	C	.	.	H	α-helix	trans	-69.3	-32.9	175.7	-75.6	171.3	0	0	0	113.5	P338 E386 F387 E394 H435	P338-L390 HydrophobicContact CB-CB 4.33Å; P338-L390 HydrophobicContact CB-CD1 4.05Å; P338-L390 HydrophobicContact CG-CD1 4.02Å; E386-L390 HydrophobicContact CG-CD1 3.84Å; E386-L390 HydrophobicContact CG-CG 4.44Å; E386-L390 WeakPolarHBondContact O-CG 3.46Å; E386-L390 PolarHBondContact O-N 2.91Å; F387-L390 PolarHBondContact O-N 2.85Å; L390-E394 PolarHBondContact O-N 2.93Å; L390-E394 VanDerWaalsContact O-N 3.07Å; L390-H435 WeakPolarHBondContact CD2-NE2 3.46Å
391	F	92.9	Very high	84.8	Confident	4 Å²	4	38 Å²	38	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-52.5	175.7	-178.9	-93	0	0	0	110.7	I342 Q343 L346 F387 L388 D393 E394 K395 I411	I342-F391 HydrophobicContact CB-CB 4.06Å; I342-F391 HydrophobicContact CB-CD2 3.84Å; I342-F391 HydrophobicContact CB-CE2 4.39Å; I342-F391 HydrophobicContact CB-CG 3.96Å; I342-F391 HydrophobicContact CG1-CB 4.11Å; I342-F391 HydrophobicContact CG2-CB 3.98Å; I342-F391 HydrophobicContact CG2-CD1 3.8Å; I342-F391 HydrophobicContact CG2-CD2 3.82Å; I342-F391 HydrophobicContact CG2-CE1 4.15Å; I342-F391 HydrophobicContact CG2-CE2 4.17Å; I342-F391 HydrophobicContact CG2-CG 3.62Å; I342-F391 HydrophobicContact CG2-CZ 4.31Å; Q343-F391 HydrophobicContact CB-CE2 4.34Å; L346-F391 HydrophobicContact CD1-CE1 4.12Å; L346-F391 HydrophobicContact CD1-CZ 3.99Å; F387-F391 WeakPolarHBondContact O-CB 3.31Å; F387-F391 PolarHBondContact O-N 3.15Å; L388-F391 PolarHBondContact O-N 2.8Å; F391-D393 VanDerWaalsContact C-N 3.32Å; F391-D393 PolarHBondContact O-N 3.02Å; F391-E394 PolarHBondContact O-N 2.75Å; F391-E394 VanDerWaalsContact O-N 3.14Å; F391-K395 HydrophobicContact CD1-CG 4.43Å; F391-K395 HydrophobicContact CE1-CG 4.31Å; F391-K395 WeakPolarHBondContact O-CG 3.43Å; F391-K395 PolarHBondContact O-N 2.65Å; F391-K395 VanDerWaalsContact O-N 3.14Å; F391-I411 HydrophobicContact CE1-CG2 4Å
392	I	93.4	Very high	83.1	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-42.3	178.3	-60.8	159.5	0	0	0	110.6	L388 E394 K395 L396 F412 C415 F428 Y432 M454	L388-I392 HydrophobicContact CD1-CD1 4.28Å; L388-I392 HydrophobicContact CG-CD1 4.01Å; L388-I392 WeakPolarHBondContact O-CD1 3.47Å; L388-I392 VanDerWaalsContact O-CG1 3.3Å; L388-I392 WeakPolarHBondContact O-CG1 3.27Å; L388-I392 PolarHBondContact O-N 2.69Å; L388-I392 VanDerWaalsContact O-N 3.11Å; I392-E394 VanDerWaalsContact C-N 3.32Å; I392-E394 PolarHBondContact O-N 3.08Å; I392-K395 PolarHBondContact O-N 2.99Å; I392-L396 HydrophobicContact CG2-CD1 3.79Å; I392-L396 WeakPolarHBondContact O-CG 3.43Å; I392-L396 PolarHBondContact O-N 2.74Å; I392-F412 HydrophobicContact CG2-CE1 4.29Å; I392-C415 HydrophobicContact CD1-CB 4.1Å; I392-C415 HydrophobicContact CG1-CB 4.11Å; I392-F428 HydrophobicContact CD1-CE2 4.05Å; I392-F428 HydrophobicContact CD1-CZ 3.88Å; I392-Y432 HydrophobicContact CG2-CE2 3.93Å; I392-M454 HydrophobicContact CD1-CE 3.86Å; I392-M454 HydrophobicContact CD1-SD 4.5Å; I392-M454 HydrophobicContact CG2-CG 4.06Å; I392-M454 HydrophobicContact CG2-SD 4Å
393	D	90.8	Very high	81.9	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-37	174.7	172.8	71.1	0	0	0	113.6	S389 F391 K397 H435 R439	S389-D393 WeakPolarHBondContact O-CB 3.36Å; S389-D393 PolarHBondContact O-N 2.99Å; F391-D393 VanDerWaalsContact C-N 3.32Å; F391-D393 PolarHBondContact O-N 3.02Å; D393-K397 VanDerWaalsContact O-CB 3.23Å; D393-K397 WeakPolarHBondContact O-CB 3.48Å; D393-K397 WeakPolarHBondContact O-CD 3.38Å; D393-K397 WeakPolarHBondContact O-CG 3.39Å; D393-K397 PolarHBondContact O-N 2.98Å; D393-K397 VanDerWaalsContact O-N 3.1Å; D393-K397 WeakPolarHBondContact OD1-CE 3.48Å; D393-K397 IonicContact OD1-NZ 2.67Å; D393-K397 PolarHBondContact OD1-NZ 2.88Å; D393-K397 WeakPolarHBondContact OD2-CE 3.44Å; D393-K397 IonicContact OD2-NZ 2.68Å; D393-K397 PolarHBondContact OD2-NZ 3.49Å; D393-H435 HydrophobicContact CB-CB 4.01Å; D393-R439 WeakPolarHBondContact OD1-CD 3.3Å; D393-R439 IonicContact OD1-CZ 2.65Å; D393-R439 IonicContact OD1-NE 2.71Å; D393-R439 IonicContact OD1-NH1 3.77Å; D393-R439 PolarHBondContact OD1-NH1 3.38Å
394	E	87.4	Confident	80.6	Confident	46 Å²	46	42.2 Å²	42.2	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-70.1	-45.2	175.7	-175.9	173.5	-110.5	0	0	112.4	Q339 L390 F391 I392 L396 K397 R398	Q339-E394 WeakPolarHBondContact CG-OE2 3.4Å; L390-E394 PolarHBondContact O-N 2.93Å; L390-E394 VanDerWaalsContact O-N 3.07Å; F391-E394 PolarHBondContact O-N 2.75Å; F391-E394 VanDerWaalsContact O-N 3.14Å; I392-E394 VanDerWaalsContact C-N 3.32Å; I392-E394 PolarHBondContact O-N 3.08Å; E394-L396 VanDerWaalsContact C-N 3.3Å; E394-L396 PolarHBondContact O-N 3.13Å; E394-K397 PolarHBondContact O-N 2.83Å; E394-K397 VanDerWaalsContact O-N 3.11Å; E394-R398 HydrophobicContact CG-CG 4.02Å; E394-R398 PolarHBondContact O-N 2.88Å; E394-R398 IonicContact OE1-CZ 3.1Å; E394-R398 IonicContact OE1-NE 3.48Å; E394-R398 PolarHBondContact OE1-NE 2.79Å; E394-R398 IonicContact OE1-NH2 2.66Å; E394-R398 PolarHBondContact OE1-NH2 2.76Å
395	K	87.1	Confident	79.4	Confident	45 Å²	45	46.8 Å²	46.8	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-45.7	178.8	-60.1	-71.7	-177.6	173.6	0	110.3	F391 I392 K397 T400 I411	F391-K395 HydrophobicContact CD1-CG 4.43Å; F391-K395 HydrophobicContact CE1-CG 4.31Å; F391-K395 WeakPolarHBondContact O-CG 3.43Å; F391-K395 PolarHBondContact O-N 2.65Å; F391-K395 VanDerWaalsContact O-N 3.14Å; I392-K395 PolarHBondContact O-N 2.99Å; K395-K397 PolarHBondContact O-N 3.35Å; K395-T400 HydrophobicContact CD-CG2 4.25Å; K395-I411 HydrophobicContact CG-CG2 4.44Å
396	L	88.4	Confident	78.1	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-27.6	176.5	-72.1	165.1	0	0	0	114.4	I392 E394 F412 Q446 Q450 E451	I392-L396 HydrophobicContact CG2-CD1 3.79Å; I392-L396 WeakPolarHBondContact O-CG 3.43Å; I392-L396 PolarHBondContact O-N 2.74Å; E394-L396 VanDerWaalsContact C-N 3.3Å; E394-L396 PolarHBondContact O-N 3.13Å; L396-F412 HydrophobicContact CD2-CE2 4.48Å; L396-F412 HydrophobicContact CD2-CZ 3.69Å; L396-F412 HydrophobicContact CG-CE1 4.43Å; L396-F412 HydrophobicContact CG-CZ 4.07Å; L396-Q446 PolarHBondContact O-N 2.82Å; L396-Q446 VanDerWaalsContact O-N 3.11Å; L396-Q450 HydrophobicContact CD2-CB 4.07Å; L396-E451 HydrophobicContact CD2-CG 4.21Å
397	K	82.3	Confident	77.5	Confident	71 Å²	71	57.4 Å²	57.4	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-85.4	-46.1	-177.1	-88.2	172.4	176.2	160	0	115.2	D393 E394 K395 G399 R439 K444	D393-K397 VanDerWaalsContact O-CB 3.23Å; D393-K397 WeakPolarHBondContact O-CB 3.48Å; D393-K397 WeakPolarHBondContact O-CD 3.38Å; D393-K397 WeakPolarHBondContact O-CG 3.39Å; D393-K397 PolarHBondContact O-N 2.98Å; D393-K397 VanDerWaalsContact O-N 3.1Å; D393-K397 WeakPolarHBondContact OD1-CE 3.48Å; D393-K397 IonicContact OD1-NZ 2.67Å; D393-K397 PolarHBondContact OD1-NZ 2.88Å; D393-K397 WeakPolarHBondContact OD2-CE 3.44Å; D393-K397 IonicContact OD2-NZ 2.68Å; D393-K397 PolarHBondContact OD2-NZ 3.49Å; E394-K397 PolarHBondContact O-N 2.83Å; E394-K397 VanDerWaalsContact O-N 3.11Å; K395-K397 PolarHBondContact O-N 3.35Å; K397-G399 VanDerWaalsContact C-N 3.3Å; K397-R439 HydrophobicContact CD-CG 4.33Å; K397-R439 HydrophobicContact CG-CG 3.9Å; K397-K444 WeakPolarHBondContact CA-O 3.13Å; K397-K444 HydrophobicContact CG-CB 4.49Å
398	R	67.4	Low	76.9	Confident	177 Å²	177	57.7 Å²	57.7	67%	0.668	30%	0.302	S	S	*	.	H	α-helix	trans	-76.2	-28.4	-174.6	-69.1	-171.8	-178.5	-166	5	111.6	E394	E394-R398 HydrophobicContact CG-CG 4.02Å; E394-R398 PolarHBondContact O-N 2.88Å; E394-R398 IonicContact OE1-CZ 3.1Å; E394-R398 IonicContact OE1-NE 3.48Å; E394-R398 PolarHBondContact OE1-NE 2.79Å; E394-R398 IonicContact OE1-NH2 2.66Å; E394-R398 PolarHBondContact OE1-NH2 2.76Å
399	G	55.6	Low	76.5	Confident	11 Å²	11	59.9 Å²	59.9	11%	0.113	31%	0.314	C	S	.	.			trans	60.6	140.2	-145.3	0	0	0	0	0	111.8	K397 K401	K397-G399 VanDerWaalsContact C-N 3.3Å; G399-K401 PolarHBondContact O-N 2.97Å
400	T	55.7	Low	76.2	Confident	25 Å²	25	62.4 Å²	62.4	15%	0.153	34%	0.335	C	S	.	.			trans	-71.1	81	164.7	39.9	0	0	0	0	108.5	K395 G402 M403 V408	K395-T400 HydrophobicContact CD-CG2 4.25Å; T400-G402 PolarHBondContact O-N 3.43Å; T400-M403 HydrophobicContact CG2-CG 4.49Å; T400-M403 HydrophobicContact CG2-SD 3.68Å; T400-M403 PolarHBondContact O-N 3.4Å; T400-V408 VanDerWaalsContact OG1-CG2 3.26Å; T400-V408 WeakPolarHBondContact OG1-CG2 3.44Å
401	K	51	Low	76.1	Confident	204 Å²	204	62.3 Å²	62.3	89%	0.887	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	100.6	-176.4	-78.9	-168.6	171.3	-168.7	0	111.7	G399	G399-K401 PolarHBondContact O-N 2.97Å
402	G	56.8	Low	76.1	Confident	86 Å²	86	62.1 Å²	62.1	89%	0.887	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	2	178.8	0	0	0	0	0	115.9	T400	T400-G402 PolarHBondContact O-N 3.43Å
403	M	62.1	Low	76.2	Confident	97 Å²	97	65.7 Å²	65.7	48%	0.478	35%	0.352	S	S	.	.			trans	-95.2	151.9	168	-52.5	-178.3	79.5	0	0	109.9	T400 D407 I411	T400-M403 HydrophobicContact CG2-CG 4.49Å; T400-M403 HydrophobicContact CG2-SD 3.68Å; T400-M403 PolarHBondContact O-N 3.4Å; M403-D407 HydrophobicContact CB-CB 4.06Å; M403-D407 WeakPolarHBondContact CB-OD2 3.46Å; M403-D407 HydrophobicContact CE-CB 3.81Å; M403-I411 HydrophobicContact CE-CD1 4.47Å
404	A	64.8	Low	76.4	Confident	52 Å²	52	69.2 Å²	69.2	43%	0.43	37%	0.367	S	S	.	.			trans	-80.3	161.1	178.7	0	0	0	0	0	111.8	Q406 D407 V408	A404-Q406 PolarHBondContact O-N 3.15Å; A404-Q406 VanDerWaalsContact O-N 3.14Å; A404-D407 PolarHBondContact N-OD2 3.1Å; A404-D407 WeakPolarHBondContact O-CB 3.17Å; A404-D407 PolarHBondContact O-N 2.79Å; A404-V408 PolarHBondContact O-N 3.01Å
405	D	67.3	Low	76.8	Confident	99 Å²	99	67.1 Å²	67.1	53%	0.529	36%	0.357	S	S	.	.	H	α-helix	trans	-57.4	-28.1	175.5	-75.7	-68.7	0	0	0	113.2	V408 D409 Q450	D405-V408 PolarHBondContact O-N 3.24Å; D405-D409 PolarHBondContact O-N 2.91Å; D405-Q450 PolarHBondContact O-NE2 3.43Å; D405-Q450 PolarHBondContact OD1-NE2 3.47Å
406	Q	68.2	Low	77.2	Confident	162 Å²	162	65.1 Å²	65.1	76%	0.757	35%	0.349	S	S	*	.	H	α-helix	trans	-66.7	-37.6	175	-67.6	179.9	-16.2	0	0	112.7	A404 V408 D409 A410	A404-Q406 PolarHBondContact O-N 3.15Å; A404-Q406 VanDerWaalsContact O-N 3.14Å; Q406-V408 VanDerWaalsContact C-N 3.29Å; Q406-V408 PolarHBondContact O-N 3.22Å; Q406-D409 PolarHBondContact O-N 2.88Å; Q406-A410 PolarHBondContact O-N 2.88Å; Q406-A410 VanDerWaalsContact O-N 3.11Å
407	D	79.7	Confident	77.6	Confident	68 Å²	68	66.5 Å²	66.5	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-67.8	-34.2	177.8	-54.9	-47.3	0	0	0	111.2	M403 A404 I411	M403-D407 HydrophobicContact CB-CB 4.06Å; M403-D407 WeakPolarHBondContact CB-OD2 3.46Å; M403-D407 HydrophobicContact CE-CB 3.81Å; A404-D407 PolarHBondContact N-OD2 3.1Å; A404-D407 WeakPolarHBondContact O-CB 3.17Å; A404-D407 PolarHBondContact O-N 2.79Å; D407-I411 VanDerWaalsContact O-CG1 3.28Å; D407-I411 WeakPolarHBondContact O-CG1 3.42Å; D407-I411 PolarHBondContact O-N 3.19Å; D407-I411 VanDerWaalsContact O-N 3.09Å
408	V	81	Confident	78.2	Confident	12 Å²	12	63.2 Å²	63.2	7%	0.073	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-43.6	177.1	-179.4	0	0	0	0	110.5	T400 A404 D405 Q406 I411 F412	T400-V408 VanDerWaalsContact OG1-CG2 3.26Å; T400-V408 WeakPolarHBondContact OG1-CG2 3.44Å; A404-V408 PolarHBondContact O-N 3.01Å; D405-V408 PolarHBondContact O-N 3.24Å; Q406-V408 VanDerWaalsContact C-N 3.29Å; Q406-V408 PolarHBondContact O-N 3.22Å; V408-I411 WeakPolarHBondContact O-CB 3.38Å; V408-I411 PolarHBondContact O-N 3.38Å; V408-F412 HydrophobicContact CG1-CD2 4.34Å; V408-F412 HydrophobicContact CG1-CE1 3.98Å; V408-F412 HydrophobicContact CG1-CE2 3.67Å; V408-F412 HydrophobicContact CG1-CZ 3.45Å; V408-F412 VanDerWaalsContact CG1-CZ 3.45Å; V408-F412 WeakPolarHBondContact O-CG 3.44Å; V408-F412 PolarHBondContact O-N 2.99Å
409	D	86.7	Confident	79.6	Confident	49 Å²	49	54.9 Å²	54.9	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-40.1	178.6	-159.4	51.4	0	0	0	112.3	D405 Q406 I411 F412 D413 I453 K457	D405-D409 PolarHBondContact O-N 2.91Å; Q406-D409 PolarHBondContact O-N 2.88Å; D409-I411 VanDerWaalsContact C-N 3.3Å; D409-I411 PolarHBondContact O-N 3.41Å; D409-F412 CarbonylContact O-C 3.57Å; D409-F412 WeakPolarHBondContact O-CA 3.3Å; D409-F412 WeakPolarHBondContact O-CB 3.39Å; D409-F412 PolarHBondContact O-N 3.45Å; D409-D413 PolarHBondContact O-N 3.29Å; D409-I453 WeakPolarHBondContact OD1-CG2 3.47Å; D409-K457 WeakPolarHBondContact OD1-CE 3.5Å; D409-K457 IonicContact OD1-NZ 2.67Å; D409-K457 PolarHBondContact OD1-NZ 3.39Å; D409-K457 IonicContact OD2-NZ 2.73Å; D409-K457 PolarHBondContact OD2-NZ 3.32Å
410	A	89.7	Confident	81.5	Confident	52 Å²	52	60.1 Å²	60.1	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-35.9	173.2	0	0	0	0	0	112.7	Q406 K414	Q406-A410 PolarHBondContact O-N 2.88Å; Q406-A410 VanDerWaalsContact O-N 3.11Å; A410-K414 WeakPolarHBondContact O-CG 3.45Å; A410-K414 PolarHBondContact O-N 3.16Å; A410-K414 VanDerWaalsContact O-N 3.15Å
411	I	90.2	Very high	83.4	Confident	30 Å²	30	59.9 Å²	59.9	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-66.2	-38	171.1	-71	165.9	0	0	0	110.9	F391 K395 M403 D407 V408 D409 K414 C415	F391-I411 HydrophobicContact CE1-CG2 4Å; K395-I411 HydrophobicContact CG-CG2 4.44Å; M403-I411 HydrophobicContact CE-CD1 4.47Å; D407-I411 VanDerWaalsContact O-CG1 3.28Å; D407-I411 WeakPolarHBondContact O-CG1 3.42Å; D407-I411 PolarHBondContact O-N 3.19Å; D407-I411 VanDerWaalsContact O-N 3.09Å; V408-I411 WeakPolarHBondContact O-CB 3.38Å; V408-I411 PolarHBondContact O-N 3.38Å; D409-I411 VanDerWaalsContact C-N 3.3Å; D409-I411 PolarHBondContact O-N 3.41Å; I411-K414 PolarHBondContact O-N 3.42Å; I411-C415 PolarHBondContact O-N 3.07Å; I411-C415 PolarHBondContact O-SG 3.14Å
412	F	93.3	Very high	85.5	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-41.7	175.9	-64.4	-21.6	0	0	0	112.5	I392 L396 V408 D409 K414 C415 I416 Q450 I453 M454 K457	I392-F412 HydrophobicContact CG2-CE1 4.29Å; L396-F412 HydrophobicContact CD2-CE2 4.48Å; L396-F412 HydrophobicContact CD2-CZ 3.69Å; L396-F412 HydrophobicContact CG-CE1 4.43Å; L396-F412 HydrophobicContact CG-CZ 4.07Å; V408-F412 HydrophobicContact CG1-CD2 4.34Å; V408-F412 HydrophobicContact CG1-CE1 3.98Å; V408-F412 HydrophobicContact CG1-CE2 3.67Å; V408-F412 HydrophobicContact CG1-CZ 3.45Å; V408-F412 VanDerWaalsContact CG1-CZ 3.45Å; V408-F412 WeakPolarHBondContact O-CG 3.44Å; V408-F412 PolarHBondContact O-N 2.99Å; D409-F412 CarbonylContact O-C 3.57Å; D409-F412 WeakPolarHBondContact O-CA 3.3Å; D409-F412 WeakPolarHBondContact O-CB 3.39Å; D409-F412 PolarHBondContact O-N 3.45Å; F412-K414 VanDerWaalsContact C-N 3.33Å; F412-K414 PolarHBondContact O-N 3.33Å; F412-C415 CarbonylContact O-C 3.52Å; F412-C415 WeakPolarHBondContact O-CB 3.38Å; F412-C415 PolarHBondContact O-N 3.38Å; F412-C415 VanDerWaalsContact O-N 3.12Å; F412-I416 WeakPolarHBondContact O-CB 3.26Å; F412-I416 VanDerWaalsContact O-CG1 3.27Å; F412-I416 WeakPolarHBondContact O-CG1 3.25Å; F412-I416 PolarHBondContact O-N 3.38Å; F412-Q450 HydrophobicContact CE2-CB 4.36Å; F412-I453 HydrophobicContact CD2-CG2 4.36Å; F412-M454 HydrophobicContact CB-SD 3.98Å; F412-M454 HydrophobicContact CD1-SD 3.81Å; F412-M454 HydrophobicContact CD2-CB 4.35Å; F412-M454 HydrophobicContact CD2-SD 4.3Å; F412-M454 HydrophobicContact CE1-SD 4.38Å; F412-M454 HydrophobicContact CE2-CB 4.27Å; F412-M454 HydrophobicContact CG-SD 3.78Å; F412-K457 HydrophobicContact CB-CD 4.09Å
413	D	95	Very high	87.2	Confident	75 Å²	75	49.6 Å²	49.6	40%	0.401	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-41.2	175	-74	-35.5	0	0	0	112	D409 C415 I416 V417 K457	D409-D413 PolarHBondContact O-N 3.29Å; D413-C415 PolarHBondContact O-N 3.42Å; D413-I416 PolarHBondContact O-N 3.11Å; D413-V417 WeakPolarHBondContact O-CG2 3.34Å; D413-V417 PolarHBondContact O-N 2.82Å; D413-K457 WeakPolarHBondContact OD1-CD 3.49Å; D413-K457 WeakPolarHBondContact OD1-CE 3.42Å; D413-K457 IonicContact OD1-NZ 3.61Å; D413-K457 PolarHBondContact OD1-NZ 3.04Å; D413-K457 IonicContact OD2-NZ 3.4Å; D413-K457 PolarHBondContact OD2-NZ 2.76Å; D413-K457 VanDerWaalsContact OD2-NZ 3.11Å
414	K	95	Very high	88.7	Confident	85 Å²	85	47.7 Å²	47.7	37%	0.37	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-40.8	171.5	-75.9	-168.7	-177.6	-163.9	0	112.6	L346 D350 A410 I411 F412 I416 V417 L418	L346-K414 HydrophobicContact CD1-CB 4.5Å; L346-K414 HydrophobicContact CD2-CB 3.8Å; D350-K414 VanDerWaalsContact OD1-CE 3.26Å; D350-K414 WeakPolarHBondContact OD1-CE 3.43Å; D350-K414 IonicContact OD1-NZ 2.89Å; D350-K414 PolarHBondContact OD1-NZ 3.09Å; D350-K414 IonicContact OD2-NZ 3.58Å; D350-K414 PolarHBondContact OD2-NZ 3.14Å; A410-K414 WeakPolarHBondContact O-CG 3.45Å; A410-K414 PolarHBondContact O-N 3.16Å; A410-K414 VanDerWaalsContact O-N 3.15Å; I411-K414 PolarHBondContact O-N 3.42Å; F412-K414 VanDerWaalsContact C-N 3.33Å; F412-K414 PolarHBondContact O-N 3.33Å; K414-I416 VanDerWaalsContact C-N 3.34Å; K414-I416 PolarHBondContact O-N 2.78Å; K414-V417 PolarHBondContact O-N 3.22Å; K414-L418 PolarHBondContact O-N 3.2Å
415	C	95.8	Very high	90.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-34.5	173.9	-67.7	0	0	0	0	112.7	L388 I392 I411 F412 D413 L418 F419	L388-C415 HydrophobicContact CD1-CB 4.11Å; I392-C415 HydrophobicContact CD1-CB 4.1Å; I392-C415 HydrophobicContact CG1-CB 4.11Å; I411-C415 PolarHBondContact O-N 3.07Å; I411-C415 PolarHBondContact O-SG 3.14Å; F412-C415 CarbonylContact O-C 3.52Å; F412-C415 WeakPolarHBondContact O-CB 3.38Å; F412-C415 PolarHBondContact O-N 3.38Å; F412-C415 VanDerWaalsContact O-N 3.12Å; D413-C415 PolarHBondContact O-N 3.42Å; C415-L418 PolarHBondContact O-N 3.12Å; C415-F419 WeakPolarHBondContact O-CB 3.24Å; C415-F419 PolarHBondContact O-N 2.92Å
416	I	96.4	Very high	91.5	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-69.3	-37.6	177.1	-72.3	-75.5	0	0	0	111.1	F412 D413 K414 L418 F419 R420 M454 K457 L458 E461	F412-I416 WeakPolarHBondContact O-CB 3.26Å; F412-I416 VanDerWaalsContact O-CG1 3.27Å; F412-I416 WeakPolarHBondContact O-CG1 3.25Å; F412-I416 PolarHBondContact O-N 3.38Å; D413-I416 PolarHBondContact O-N 3.11Å; K414-I416 VanDerWaalsContact C-N 3.34Å; K414-I416 PolarHBondContact O-N 2.78Å; I416-L418 VanDerWaalsContact C-N 3.34Å; I416-L418 PolarHBondContact O-N 3.12Å; I416-F419 WeakPolarHBondContact O-CB 3.2Å; I416-F419 PolarHBondContact O-N 3.49Å; I416-F419 VanDerWaalsContact O-N 3.16Å; I416-R420 PolarHBondContact O-N 2.97Å; I416-M454 HydrophobicContact CD1-CE 3.83Å; I416-M454 HydrophobicContact CG1-CE 4.22Å; I416-K457 HydrophobicContact CD1-CB 3.76Å; I416-K457 HydrophobicContact CG1-CB 3.84Å; I416-K457 HydrophobicContact CG1-CD 4.22Å; I416-L458 HydrophobicContact CD1-CD2 3.96Å; I416-L458 HydrophobicContact CD1-CG 4.32Å; I416-E461 HydrophobicContact CD1-CG 4.43Å; I416-E461 HydrophobicContact CG2-CG 3.8Å; I416-E461 WeakPolarHBondContact CG2-OE1 3.04Å
417	V	94.9	Very high	92.7	Very high	36 Å²	36	35 Å²	35	22%	0.218	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-46.4	170	170.9	0	0	0	0	111	R349 D413 K414 R420 Y421	R349-V417 HydrophobicContact CG-CG1 4.24Å; D413-V417 WeakPolarHBondContact O-CG2 3.34Å; D413-V417 PolarHBondContact O-N 2.82Å; K414-V417 PolarHBondContact O-N 3.22Å; V417-R420 PolarHBondContact O-N 2.68Å; V417-Y421 HydrophobicContact CG1-CE2 3.73Å; V417-Y421 VanDerWaalsContact O-CD2 3.25Å; V417-Y421 WeakPolarHBondContact O-CD2 3.46Å; V417-Y421 WeakPolarHBondContact O-CE2 3.33Å
418	L	95.8	Very high	93.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-66.1	-36.8	174.1	-67.7	-174	0	0	0	113.2	I342 L345 L346 F374 L388 K414 C415 I416 R420 Y421 L422	I342-L418 HydrophobicContact CG2-CD1 4.19Å; L345-L418 HydrophobicContact CB-CD1 4.06Å; L345-L418 HydrophobicContact CB-CD2 4.49Å; L346-L418 HydrophobicContact CD2-CD1 3.53Å; L346-L418 HydrophobicContact CD2-CG 3.8Å; L346-L418 HydrophobicContact CG-CD1 3.84Å; F374-L418 HydrophobicContact CD1-CD2 4.44Å; L388-L418 HydrophobicContact CD1-CB 4.37Å; L388-L418 HydrophobicContact CD1-CD1 4.49Å; L388-L418 HydrophobicContact CD2-CB 4.4Å; K414-L418 PolarHBondContact O-N 3.2Å; C415-L418 PolarHBondContact O-N 3.12Å; I416-L418 VanDerWaalsContact C-N 3.34Å; I416-L418 PolarHBondContact O-N 3.12Å; L418-R420 VanDerWaalsContact C-N 3.31Å; L418-R420 PolarHBondContact O-N 2.91Å; L418-Y421 HydrophobicContact CD2-CD2 4.2Å; L418-Y421 PolarHBondContact O-N 3.11Å; L418-L422 PolarHBondContact O-N 3.02Å
419	F	96.8	Very high	94.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-35.7	177	174.2	-100.4	0	0	0	112.5	L388 C415 I416 Y421 L422 K425 F428 L458 E461 Y466	L388-F419 HydrophobicContact CD2-CB 3.94Å; C415-F419 WeakPolarHBondContact O-CB 3.24Å; C415-F419 PolarHBondContact O-N 2.92Å; I416-F419 WeakPolarHBondContact O-CB 3.2Å; I416-F419 PolarHBondContact O-N 3.49Å; I416-F419 VanDerWaalsContact O-N 3.16Å; F419-Y421 VanDerWaalsContact C-N 3.28Å; F419-Y421 PolarHBondContact O-N 3.4Å; F419-L422 HydrophobicContact CD2-CD1 4.09Å; F419-L422 WeakPolarHBondContact O-CB 3.25Å; F419-L422 PolarHBondContact O-N 2.98Å; F419-L422 VanDerWaalsContact O-N 3.15Å; F419-K425 HydrophobicContact CE1-CD 3.99Å; F419-K425 HydrophobicContact CE1-CG 4.47Å; F419-K425 HydrophobicContact CE2-CB 4Å; F419-K425 HydrophobicContact CE2-CD 4.37Å; F419-K425 HydrophobicContact CE2-CG 3.96Å; F419-K425 HydrophobicContact CZ-CB 3.92Å; F419-K425 HydrophobicContact CZ-CD 3.79Å; F419-K425 HydrophobicContact CZ-CG 3.86Å; F419-K425 VanDerWaalsContact O-CE 3.27Å; F419-K425 WeakPolarHBondContact O-CE 3.48Å; F419-F428 AromaticContact CD2-CD1 3.92Å; F419-F428 HydrophobicContact CD2-CD1 3.92Å; F419-F428 HydrophobicContact CD2-CD2 4.37Å; F419-F428 HydrophobicContact CD2-CE1 4.12Å; F419-F428 HydrophobicContact CD2-CG 4.05Å; F419-F428 HydrophobicContact CD2-CZ 4.43Å; F419-F428 HydrophobicContact CE2-CB 4.24Å; F419-F428 AromaticContact CE2-CD1 3.56Å; F419-F428 HydrophobicContact CE2-CD1 3.56Å; F419-F428 HydrophobicContact CE2-CE1 4.04Å; F419-F428 AromaticContact CE2-CG 3.92Å; F419-F428 HydrophobicContact CE2-CG 3.92Å; F419-L458 HydrophobicContact CD1-CD2 4.1Å; F419-L458 HydrophobicContact CD2-CD2 4.21Å; F419-L458 HydrophobicContact CE1-CD2 3.96Å; F419-L458 HydrophobicContact CE2-CD2 4.1Å; F419-L458 HydrophobicContact CG-CD2 4.23Å; F419-L458 HydrophobicContact CZ-CD2 3.96Å; F419-E461 HydrophobicContact CD1-CB 4.29Å; F419-E461 HydrophobicContact CD1-CG 4.41Å; F419-E461 HydrophobicContact CE1-CB 3.98Å; F419-Y466 HydrophobicContact CZ-CE1 4.25Å; F419-Y466 WeakPolarHBondContact CZ-OH 3.27Å
420	R	95	Very high	94.5	Very high	121 Å²	121	30 Å²	30	46%	0.457	15%	0.151	S	C	.	.	H	α-helix	trans	-57.4	-42.1	174	-71.4	179.9	-164	128.9	9.4	112.1	I416 V417 L418 L422 K425 E461	I416-R420 PolarHBondContact O-N 2.97Å; V417-R420 PolarHBondContact O-N 2.68Å; L418-R420 VanDerWaalsContact C-N 3.31Å; L418-R420 PolarHBondContact O-N 2.91Å; R420-L422 VanDerWaalsContact C-N 3.29Å; R420-L422 PolarHBondContact O-N 3.46Å; R420-K425 PolarHBondContact O-NZ 2.94Å; R420-E461 WeakPolarHBondContact CD-OE2 3.33Å; R420-E461 WeakPolarHBondContact CG-OE2 3.34Å; R420-E461 IonicContact CZ-OE1 2.91Å; R420-E461 VanDerWaalsContact CZ-OE1 3.22Å; R420-E461 IonicContact CZ-OE2 3.53Å; R420-E461 IonicContact NE-OE1 3.02Å; R420-E461 PolarHBondContact NE-OE1 3.21Å; R420-E461 IonicContact NE-OE2 2.73Å; R420-E461 PolarHBondContact NE-OE2 2.99Å; R420-E461 IonicContact NH2-OE1 3.98Å; R420-E461 PolarHBondContact NH2-OE1 3.31Å
421	Y	95.1	Very high	94.7	Very high	19 Å²	19	27.6 Å²	27.6	8%	0.075	13%	0.13	C	C	.	.	H	α-helix	trans	-71.4	-15.2	179.3	-55.8	-49	0	0	0	114	R349 N371 F374 E375 N379 V417 L418 F419 Q423	R349-Y421 PolarHBondContact NE-OH 2.96Å; R349-Y421 PolarHBondContact NH2-OH 2.91Å; N371-Y421 HydrophobicContact CB-CE1 4.12Å; N371-Y421 PolarHBondContact OD1-OH 3.44Å; F374-Y421 HydrophobicContact CB-CD1 4.13Å; F374-Y421 HydrophobicContact CB-CD2 3.71Å; F374-Y421 HydrophobicContact CB-CE1 4.06Å; F374-Y421 HydrophobicContact CB-CE2 3.64Å; F374-Y421 HydrophobicContact CB-CG 3.99Å; F374-Y421 HydrophobicContact CD1-CD2 4.36Å; F374-Y421 HydrophobicContact CD1-CE2 4.2Å; F374-Y421 HydrophobicContact CG-CD2 4.36Å; F374-Y421 HydrophobicContact CG-CE2 4.02Å; E375-Y421 HydrophobicContact CB-CD1 4.36Å; N379-Y421 PolarHBondContact ND2-O 2.75Å; V417-Y421 HydrophobicContact CG1-CE2 3.73Å; V417-Y421 VanDerWaalsContact O-CD2 3.25Å; V417-Y421 WeakPolarHBondContact O-CD2 3.46Å; V417-Y421 WeakPolarHBondContact O-CE2 3.33Å; L418-Y421 HydrophobicContact CD2-CD2 4.2Å; L418-Y421 PolarHBondContact O-N 3.11Å; F419-Y421 VanDerWaalsContact C-N 3.28Å; F419-Y421 PolarHBondContact O-N 3.4Å; Y421-Q423 PolarHBondContact O-N 2.73Å
422	L	95.7	Very high	94.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	12%	0.123	C	C	.	.			trans	-69.4	127.7	175.7	-66.6	178.1	0	0	0	111.1	V378 P385 L388 L418 F419 R420 K425 F428	V378-L422 HydrophobicContact CG1-CD2 3.75Å; P385-L422 HydrophobicContact CG-CD2 4.19Å; L388-L422 HydrophobicContact CD2-CD1 3.82Å; L418-L422 PolarHBondContact O-N 3.02Å; F419-L422 HydrophobicContact CD2-CD1 4.09Å; F419-L422 WeakPolarHBondContact O-CB 3.25Å; F419-L422 PolarHBondContact O-N 2.98Å; F419-L422 VanDerWaalsContact O-N 3.15Å; R420-L422 VanDerWaalsContact C-N 3.29Å; R420-L422 PolarHBondContact O-N 3.46Å; L422-K425 HydrophobicContact CB-CG 4.31Å; L422-K425 WeakPolarHBondContact O-CG 3.39Å; L422-K425 PolarHBondContact O-NZ 3.14Å; L422-F428 HydrophobicContact CD1-CB 4.31Å; L422-F428 HydrophobicContact CD1-CD2 4.23Å
423	Q	93.1	Very high	94.9	Very high	73 Å²	73	27.7 Å²	27.7	34%	0.341	13%	0.13	S	C	.	.	S	Bend	trans	-78.8	-37.2	170.6	-73.8	174.3	-0.3	0	0	111.3	E375 N379 Y421 K425 F781 V782	E375-Q423 PolarHBondContact OE1-NE2 3.46Å; N379-Q423 PolarHBondContact OD1-N 3.47Å; Y421-Q423 PolarHBondContact O-N 2.73Å; Q423-K425 PolarHBondContact O-N 3.41Å; Q423-F781 WeakPolarHBondContact O-CA 3.43Å; Q423-V782 HydrophobicContact CB-CG2 4.26Å; Q423-V782 HydrophobicContact CG-CG2 4.25Å
424	E	93.8	Very high	94.7	Very high	56 Å²	56	25.3 Å²	25.3	26%	0.262	12%	0.116	S	C	.	.			trans	-90.8	64.2	177.7	-58.3	-158.3	108.4	0	0	113	P385 D426 L427 F428 R746	P385-E424 HydrophobicContact CG-CB 4.19Å; E424-D426 VanDerWaalsContact C-N 3.33Å; E424-D426 PolarHBondContact O-N 3.42Å; E424-L427 HydrophobicContact CB-CB 3.88Å; E424-L427 HydrophobicContact CB-CD2 4.49Å; E424-L427 PolarHBondContact O-N 3.11Å; E424-L427 VanDerWaalsContact OE2-CD2 3.27Å; E424-L427 WeakPolarHBondContact OE2-CD2 3.35Å; E424-F428 PolarHBondContact O-N 2.82Å; E424-R746 IonicContact OE1-CZ 3.66Å; E424-R746 VanDerWaalsContact OE1-CZ 3.22Å; E424-R746 IonicContact OE1-NH1 2.68Å; E424-R746 PolarHBondContact OE1-NH1 3.35Å; E424-R746 IonicContact OE1-NH2 2.97Å; E424-R746 PolarHBondContact OE1-NH2 3.39Å
425	K	95.3	Very high	94.5	Very high	24 Å²	24	21.6 Å²	21.6	10%	0.104	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-32.4	179.1	-62.5	179.6	169.8	69.9	0	112.4	F419 R420 L422 Q423 L427 F428 E429 Y466 S779 R780	F419-K425 HydrophobicContact CE1-CD 3.99Å; F419-K425 HydrophobicContact CE1-CG 4.47Å; F419-K425 HydrophobicContact CE2-CB 4Å; F419-K425 HydrophobicContact CE2-CD 4.37Å; F419-K425 HydrophobicContact CE2-CG 3.96Å; F419-K425 HydrophobicContact CZ-CB 3.92Å; F419-K425 HydrophobicContact CZ-CD 3.79Å; F419-K425 HydrophobicContact CZ-CG 3.86Å; F419-K425 VanDerWaalsContact O-CE 3.27Å; F419-K425 WeakPolarHBondContact O-CE 3.48Å; R420-K425 PolarHBondContact O-NZ 2.94Å; L422-K425 HydrophobicContact CB-CG 4.31Å; L422-K425 WeakPolarHBondContact O-CG 3.39Å; L422-K425 PolarHBondContact O-NZ 3.14Å; Q423-K425 PolarHBondContact O-N 3.41Å; K425-L427 VanDerWaalsContact C-N 3.34Å; K425-L427 PolarHBondContact O-N 2.94Å; K425-F428 CarbonylContact O-C 3.29Å; K425-F428 WeakPolarHBondContact O-CA 3.4Å; K425-F428 WeakPolarHBondContact O-CB 3.49Å; K425-F428 PolarHBondContact O-N 2.7Å; K425-E429 PolarHBondContact O-N 3.11Å; K425-Y466 PolarHBondContact O-OH 2.89Å; K425-S779 WeakPolarHBondContact CD-O 3.22Å; K425-R780 CarbonylContact C-O 3.48Å; K425-R780 WeakPolarHBondContact CA-O 3.49Å; K425-R780 WeakPolarHBondContact CB-O 3.49Å; K425-R780 PolarHBondContact N-O 3.18Å
426	D	94.1	Very high	94.3	Very high	20 Å²	20	21.5 Å²	21.5	11%	0.107	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-31.7	173.7	67.7	-19.8	0	0	0	113.8	E424 F428 E429 G430 V742 R746 R780 F781	E424-D426 VanDerWaalsContact C-N 3.33Å; E424-D426 PolarHBondContact O-N 3.42Å; D426-F428 VanDerWaalsContact C-N 3.35Å; D426-E429 WeakPolarHBondContact O-CB 3.29Å; D426-E429 PolarHBondContact O-N 3.44Å; D426-G430 PolarHBondContact O-N 2.88Å; D426-G430 VanDerWaalsContact O-N 3.08Å; D426-V742 HydrophobicContact CB-CG1 4.47Å; D426-R746 IonicContact OD1-CZ 3.65Å; D426-R746 IonicContact OD1-NE 3.87Å; D426-R746 PolarHBondContact OD1-NE 2.87Å; D426-R746 IonicContact OD1-NH2 3.66Å; D426-R746 PolarHBondContact OD1-NH2 3.33Å; D426-R746 VanDerWaalsContact OD2-CG 3.3Å; D426-R746 WeakPolarHBondContact OD2-CG 3.46Å; D426-R746 IonicContact OD2-CZ 3.88Å; D426-R746 IonicContact OD2-NE 2.69Å; D426-R746 PolarHBondContact OD2-NE 2.88Å; D426-R746 IonicContact OD2-NH2 3.73Å; D426-R780 PolarHBondContact N-O 3.44Å; D426-F781 HydrophobicContact CB-CD1 4.42Å; D426-F781 VanDerWaalsContact OD2-CD1 3.26Å; D426-F781 WeakPolarHBondContact OD2-CD1 3.47Å
427	L	94.8	Very high	93.9	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-68.6	-35.7	170.8	-175.2	59.3	0	0	0	111.3	P385 E424 K425 G430 Y431 R739 V742	P385-L427 HydrophobicContact CB-CB 4.31Å; P385-L427 HydrophobicContact CB-CD2 4.37Å; P385-L427 HydrophobicContact CB-CG 4.19Å; P385-L427 HydrophobicContact CG-CD2 4.31Å; E424-L427 HydrophobicContact CB-CB 3.88Å; E424-L427 HydrophobicContact CB-CD2 4.49Å; E424-L427 PolarHBondContact O-N 3.11Å; E424-L427 VanDerWaalsContact OE2-CD2 3.27Å; E424-L427 WeakPolarHBondContact OE2-CD2 3.35Å; K425-L427 VanDerWaalsContact C-N 3.34Å; K425-L427 PolarHBondContact O-N 2.94Å; L427-G430 PolarHBondContact O-N 3.31Å; L427-Y431 HydrophobicContact CD1-CD2 4.28Å; L427-Y431 HydrophobicContact CD1-CE2 3.58Å; L427-Y431 HydrophobicContact CD2-CE2 4.16Å; L427-Y431 HydrophobicContact CG-CD2 4.17Å; L427-Y431 HydrophobicContact CG-CE2 3.61Å; L427-Y431 WeakPolarHBondContact O-CD2 3.43Å; L427-Y431 PolarHBondContact O-N 3.24Å; L427-R739 HydrophobicContact CD1-CG 4.12Å; L427-V742 HydrophobicContact CB-CG1 4.43Å; L427-V742 HydrophobicContact CD1-CB 4.37Å; L427-V742 HydrophobicContact CD1-CG2 4.09Å
428	F	96.4	Very high	93.4	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-41.6	168	178	-83.1	0	0	0	111.9	P385 L388 I392 F419 L422 E424 K425 D426 G430 Y431 Y432 L458	P385-F428 HydrophobicContact CB-CB 4.12Å; L388-F428 HydrophobicContact CB-CD2 4.36Å; L388-F428 HydrophobicContact CB-CE2 4.13Å; L388-F428 HydrophobicContact CD2-CD2 4.35Å; L388-F428 HydrophobicContact CD2-CE2 4.04Å; L388-F428 HydrophobicContact CG-CD2 4.49Å; L388-F428 HydrophobicContact CG-CE2 3.93Å; I392-F428 HydrophobicContact CD1-CE2 4.05Å; I392-F428 HydrophobicContact CD1-CZ 3.88Å; F419-F428 AromaticContact CD2-CD1 3.92Å; F419-F428 HydrophobicContact CD2-CD1 3.92Å; F419-F428 HydrophobicContact CD2-CD2 4.37Å; F419-F428 HydrophobicContact CD2-CE1 4.12Å; F419-F428 HydrophobicContact CD2-CG 4.05Å; F419-F428 HydrophobicContact CD2-CZ 4.43Å; F419-F428 HydrophobicContact CE2-CB 4.24Å; F419-F428 AromaticContact CE2-CD1 3.56Å; F419-F428 HydrophobicContact CE2-CD1 3.56Å; F419-F428 HydrophobicContact CE2-CE1 4.04Å; F419-F428 AromaticContact CE2-CG 3.92Å; F419-F428 HydrophobicContact CE2-CG 3.92Å; L422-F428 HydrophobicContact CD1-CB 4.31Å; L422-F428 HydrophobicContact CD1-CD2 4.23Å; E424-F428 PolarHBondContact O-N 2.82Å; K425-F428 CarbonylContact O-C 3.29Å; K425-F428 WeakPolarHBondContact O-CA 3.4Å; K425-F428 WeakPolarHBondContact O-CB 3.49Å; K425-F428 PolarHBondContact O-N 2.7Å; D426-F428 VanDerWaalsContact C-N 3.35Å; F428-G430 PolarHBondContact O-N 2.78Å; F428-Y431 PolarHBondContact O-N 2.89Å; F428-Y432 AromaticContact CE1-CD2 3.95Å; F428-Y432 HydrophobicContact CE1-CD2 3.95Å; F428-Y432 AromaticContact CE1-CG 3.95Å; F428-Y432 HydrophobicContact CE1-CG 3.95Å; F428-Y432 AromaticContact CZ-CD2 3.69Å; F428-Y432 HydrophobicContact CZ-CD2 3.69Å; F428-Y432 HydrophobicContact CZ-CE2 4.48Å; F428-Y432 HydrophobicContact CZ-CG 4.16Å; F428-Y432 WeakPolarHBondContact O-CB 3.4Å; F428-Y432 PolarHBondContact O-N 3.4Å; F428-L458 HydrophobicContact CE1-CD1 4.1Å; F428-L458 HydrophobicContact CE1-CD2 3.9Å
429	E	94.9	Very high	93	Very high	14 Å²	14	23.5 Å²	23.5	7%	0.065	11%	0.106	C	C	.	.	H	α-helix	trans	-53.1	-45.4	172.4	-163.9	-139.4	107.3	0	0	110.5	K425 D426 K433 Y466 K469	K425-E429 PolarHBondContact O-N 3.11Å; D426-E429 WeakPolarHBondContact O-CB 3.29Å; D426-E429 PolarHBondContact O-N 3.44Å; E429-K433 WeakPolarHBondContact O-CB 3.38Å; E429-K433 PolarHBondContact O-N 2.82Å; E429-K433 IonicContact OE1-NZ 2.69Å; E429-K433 PolarHBondContact OE1-NZ 3.23Å; E429-Y466 HydrophobicContact CB-CE2 3.9Å; E429-Y466 HydrophobicContact CG-CE2 4.24Å; E429-K469 WeakPolarHBondContact OE1-CD 3.35Å; E429-K469 IonicContact OE1-NZ 3.96Å; E429-K469 PolarHBondContact OE1-NZ 2.77Å; E429-K469 IonicContact OE2-NZ 2.99Å; E429-K469 PolarHBondContact OE2-NZ 2.81Å
430	G	93.1	Very high	92.5	Very high	10 Å²	10	24.1 Å²	24.1	10%	0.103	11%	0.109	C	C	.	.	H	α-helix	trans	-55.5	-57.4	178.1	0	0	0	0	0	113.2	D426 L427 F428 K434	D426-G430 PolarHBondContact O-N 2.88Å; D426-G430 VanDerWaalsContact O-N 3.08Å; L427-G430 PolarHBondContact O-N 3.31Å; F428-G430 PolarHBondContact O-N 2.78Å; G430-K434 PolarHBondContact O-N 3.05Å
431	Y	94.4	Very high	91.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.4	-44.2	178.9	-64.1	-60.3	0	0	0	112.3	E386 L427 F428 K433 K434 H435 R735 T738	E386-Y431 HydrophobicContact CB-CD2 3.96Å; E386-Y431 HydrophobicContact CB-CE2 3.79Å; E386-Y431 HydrophobicContact CB-CG 4.44Å; E386-Y431 HydrophobicContact CG-CE1 4.49Å; L427-Y431 HydrophobicContact CD1-CD2 4.28Å; L427-Y431 HydrophobicContact CD1-CE2 3.58Å; L427-Y431 HydrophobicContact CD2-CE2 4.16Å; L427-Y431 HydrophobicContact CG-CD2 4.17Å; L427-Y431 HydrophobicContact CG-CE2 3.61Å; L427-Y431 WeakPolarHBondContact O-CD2 3.43Å; L427-Y431 PolarHBondContact O-N 3.24Å; F428-Y431 PolarHBondContact O-N 2.89Å; Y431-K433 PolarHBondContact O-N 2.86Å; Y431-K434 WeakPolarHBondContact O-CB 3.47Å; Y431-K434 PolarHBondContact O-N 2.85Å; Y431-K434 VanDerWaalsContact O-N 3.1Å; Y431-H435 VanDerWaalsContact O-CG 3.29Å; Y431-H435 PolarHBondContact O-N 3.27Å; Y431-H435 PolarHBondContact O-ND1 3.47Å; Y431-R735 HydrophobicContact CE1-CG 4.07Å; Y431-R735 WeakPolarHBondContact OH-CG 3.41Å; Y431-T738 HydrophobicContact CD1-CG2 3.89Å; Y431-T738 HydrophobicContact CE1-CG2 3.77Å; Y431-T738 HydrophobicContact CG-CG2 4.49Å
432	Y	95.1	Very high	91	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-43.3	-176.7	-170.4	-91	0	0	0	112	S389 I392 F428 K434 H435 L436 R439 M454 I455 L458 L470	S389-Y432 WeakPolarHBondContact OG-CA 3.45Å; S389-Y432 PolarHBondContact OG-N 2.89Å; S389-Y432 VanDerWaalsContact OG-N 3.07Å; I392-Y432 HydrophobicContact CG2-CE2 3.93Å; F428-Y432 AromaticContact CE1-CD2 3.95Å; F428-Y432 HydrophobicContact CE1-CD2 3.95Å; F428-Y432 AromaticContact CE1-CG 3.95Å; F428-Y432 HydrophobicContact CE1-CG 3.95Å; F428-Y432 AromaticContact CZ-CD2 3.69Å; F428-Y432 HydrophobicContact CZ-CD2 3.69Å; F428-Y432 HydrophobicContact CZ-CE2 4.48Å; F428-Y432 HydrophobicContact CZ-CG 4.16Å; F428-Y432 WeakPolarHBondContact O-CB 3.4Å; F428-Y432 PolarHBondContact O-N 3.4Å; Y432-K434 VanDerWaalsContact C-N 3.33Å; Y432-K434 PolarHBondContact O-N 2.91Å; Y432-H435 PolarHBondContact O-N 3.44Å; Y432-L436 HydrophobicContact CE1-CB 4.5Å; Y432-L436 WeakPolarHBondContact O-CB 3.48Å; Y432-L436 PolarHBondContact O-N 2.71Å; Y432-R439 PolarHBondContact OH-NH2 3.41Å; Y432-M454 HydrophobicContact CE2-CG 4.34Å; Y432-M454 WeakPolarHBondContact OH-CG 3.41Å; Y432-I455 HydrophobicContact CE1-CG1 4.49Å; Y432-L458 HydrophobicContact CD1-CD1 4.37Å; Y432-L458 HydrophobicContact CE1-CD1 4.22Å; Y432-L470 HydrophobicContact CD1-CD1 3.89Å; Y432-L470 HydrophobicContact CD1-CD2 4.24Å; Y432-L470 HydrophobicContact CE1-CD1 4.1Å
433	K	93.1	Very high	90.1	Very high	33 Å²	33	26 Å²	26	14%	0.143	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-40.1	173.9	-177.2	169.2	59	-165.6	0	112.5	E429 Y431 A437 K469 L470 M473 P513	E429-K433 WeakPolarHBondContact O-CB 3.38Å; E429-K433 PolarHBondContact O-N 2.82Å; E429-K433 IonicContact OE1-NZ 2.69Å; E429-K433 PolarHBondContact OE1-NZ 3.23Å; Y431-K433 PolarHBondContact O-N 2.86Å; K433-A437 VanDerWaalsContact O-CB 3.31Å; K433-A437 WeakPolarHBondContact O-CB 3.16Å; K433-A437 PolarHBondContact O-N 2.71Å; K433-K469 HydrophobicContact CD-CB 4.47Å; K433-K469 HydrophobicContact CD-CD 4.49Å; K433-L470 HydrophobicContact CB-CD2 3.8Å; K433-L470 HydrophobicContact CG-CD2 4.08Å; K433-M473 HydrophobicContact CG-SD 3.87Å; K433-P513 HydrophobicContact CG-CB 4.43Å; K433-P513 HydrophobicContact CG-CG 4.26Å
434	K	89.6	Confident	89.1	Confident	25 Å²	25	26.7 Å²	26.7	11%	0.109	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-39.2	176.8	-163.8	177	176.3	-163.8	0	112	G430 Y431 Y432 K438 E730 E734 T738	G430-K434 PolarHBondContact O-N 3.05Å; Y431-K434 WeakPolarHBondContact O-CB 3.47Å; Y431-K434 PolarHBondContact O-N 2.85Å; Y431-K434 VanDerWaalsContact O-N 3.1Å; Y432-K434 VanDerWaalsContact C-N 3.33Å; Y432-K434 PolarHBondContact O-N 2.91Å; K434-K438 WeakPolarHBondContact O-CB 3.47Å; K434-K438 VanDerWaalsContact O-CG 3.26Å; K434-K438 WeakPolarHBondContact O-CG 3.44Å; K434-K438 PolarHBondContact O-N 2.8Å; K434-K438 VanDerWaalsContact O-N 3.14Å; K434-E730 WeakPolarHBondContact CD-OE2 3.44Å; K434-E730 VanDerWaalsContact CE-OE1 3.22Å; K434-E730 WeakPolarHBondContact CE-OE1 3.39Å; K434-E730 WeakPolarHBondContact CE-OE2 3.21Å; K434-E730 IonicContact NZ-OE1 3.83Å; K434-E730 PolarHBondContact NZ-OE1 3.42Å; K434-E730 VanDerWaalsContact NZ-OE1 3.1Å; K434-E730 IonicContact NZ-OE2 3.52Å; K434-E730 PolarHBondContact NZ-OE2 2.93Å; K434-E734 WeakPolarHBondContact CE-OE2 3.47Å; K434-E734 PolarHBondContact NZ-O 3.38Å; K434-E734 VanDerWaalsContact NZ-O 3.14Å; K434-E734 IonicContact NZ-OE2 2.74Å; K434-E734 PolarHBondContact NZ-OE2 3.26Å; K434-E734 VanDerWaalsContact NZ-OE2 3.16Å; K434-T738 PolarHBondContact NZ-OG1 3.17Å
435	H	90.4	Very high	88.2	Confident	6 Å²	6	25.3 Å²	25.3	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-67.7	-48.4	173.5	-64.9	144	0	0	0	112.2	S389 L390 D393 Y431 Y432 A437 K438 R439	S389-H435 PolarHBondContact OG-ND1 3.28Å; L390-H435 WeakPolarHBondContact CD2-NE2 3.46Å; D393-H435 HydrophobicContact CB-CB 4.01Å; Y431-H435 VanDerWaalsContact O-CG 3.29Å; Y431-H435 PolarHBondContact O-N 3.27Å; Y431-H435 PolarHBondContact O-ND1 3.47Å; Y432-H435 PolarHBondContact O-N 3.44Å; H435-A437 PolarHBondContact O-N 3.05Å; H435-K438 CarbonylContact O-C 3.52Å; H435-K438 WeakPolarHBondContact O-CB 3.48Å; H435-K438 PolarHBondContact O-N 2.96Å; H435-K438 VanDerWaalsContact O-N 3.14Å; H435-R439 WeakPolarHBondContact O-CG 3.27Å; H435-R439 PolarHBondContact O-N 2.98Å
436	L	92	Very high	87.2	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.8	-45.9	175.2	178.9	64.7	0	0	0	111.7	Y432 K438 R439 L440 E451 I455 L470 M473 F474	Y432-L436 HydrophobicContact CE1-CB 4.5Å; Y432-L436 WeakPolarHBondContact O-CB 3.48Å; Y432-L436 PolarHBondContact O-N 2.71Å; L436-K438 VanDerWaalsContact C-N 3.34Å; L436-K438 PolarHBondContact O-N 2.84Å; L436-R439 PolarHBondContact O-N 3.18Å; L436-L440 HydrophobicContact CD1-CD1 4.02Å; L436-L440 HydrophobicContact CD1-CD2 4.41Å; L436-L440 HydrophobicContact CD1-CG 3.96Å; L436-L440 HydrophobicContact CG-CD1 3.94Å; L436-L440 HydrophobicContact CG-CG 4.27Å; L436-L440 WeakPolarHBondContact O-CG 3.43Å; L436-L440 PolarHBondContact O-N 3.34Å; L436-E451 WeakPolarHBondContact CD1-OE2 3.46Å; L436-I455 HydrophobicContact CD2-CD1 4.19Å; L436-L470 HydrophobicContact CD2-CB 3.99Å; L436-L470 HydrophobicContact CD2-CD2 3.92Å; L436-L470 HydrophobicContact CD2-CG 4.5Å; L436-M473 HydrophobicContact CB-CE 4.17Å; L436-M473 HydrophobicContact CD2-CE 3.86Å; L436-M473 HydrophobicContact CD2-SD 4.36Å; L436-M473 HydrophobicContact CG-CE 3.82Å; L436-F474 HydrophobicContact CD1-CE2 3.88Å; L436-F474 HydrophobicContact CD1-CZ 4.21Å; L436-F474 HydrophobicContact CD2-CE2 4.25Å
437	A	89.3	Confident	86.7	Confident	8 Å²	8	30.7 Å²	30.7	7%	0.066	16%	0.163	C	C	.	.	H	α-helix	trans	-59.7	-44.2	176.1	0	0	0	0	0	112.1	K433 H435 R439 L441 M473 W512 P513	K433-A437 VanDerWaalsContact O-CB 3.31Å; K433-A437 WeakPolarHBondContact O-CB 3.16Å; K433-A437 PolarHBondContact O-N 2.71Å; H435-A437 PolarHBondContact O-N 3.05Å; A437-R439 VanDerWaalsContact C-N 3.26Å; A437-R439 PolarHBondContact O-N 2.92Å; A437-L441 WeakPolarHBondContact O-CB 3.35Å; A437-L441 WeakPolarHBondContact O-CG 3.41Å; A437-L441 PolarHBondContact O-N 2.95Å; A437-M473 HydrophobicContact CB-CE 3.73Å; A437-W512 HydrophobicContact CB-CE3 3.85Å; A437-W512 HydrophobicContact CB-CZ3 3.98Å; A437-P513 HydrophobicContact CB-CG 3.53Å
438	K	84	Confident	86.1	Confident	75 Å²	75	34.8 Å²	34.8	33%	0.326	19%	0.185	S	C	.	.	H	α-helix	trans	-64.7	-25	174.1	-71.9	171.8	179.9	-176.9	0	112.4	K434 H435 L436 L442 E730 E734	K434-K438 WeakPolarHBondContact O-CB 3.47Å; K434-K438 VanDerWaalsContact O-CG 3.26Å; K434-K438 WeakPolarHBondContact O-CG 3.44Å; K434-K438 PolarHBondContact O-N 2.8Å; K434-K438 VanDerWaalsContact O-N 3.14Å; H435-K438 CarbonylContact O-C 3.52Å; H435-K438 WeakPolarHBondContact O-CB 3.48Å; H435-K438 PolarHBondContact O-N 2.96Å; H435-K438 VanDerWaalsContact O-N 3.14Å; L436-K438 VanDerWaalsContact C-N 3.34Å; L436-K438 PolarHBondContact O-N 2.84Å; K438-L442 WeakPolarHBondContact O-CB 3.36Å; K438-L442 WeakPolarHBondContact O-CD1 3.42Å; K438-L442 WeakPolarHBondContact O-CG 3.02Å; K438-E730 IonicContact NZ-OE1 3.58Å; K438-E730 PolarHBondContact NZ-OE1 3.25Å; K438-E734 IonicContact NZ-OE2 3.67Å; K438-E734 PolarHBondContact NZ-OE2 2.89Å
439	R	87.8	Confident	85.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-80.7	-53.5	175.3	-72	-167.5	-55.3	-93.4	9.9	112.8	D393 K397 Y432 H435 L436 A437 S443 K444 E451	D393-R439 WeakPolarHBondContact OD1-CD 3.3Å; D393-R439 IonicContact OD1-CZ 2.65Å; D393-R439 IonicContact OD1-NE 2.71Å; D393-R439 IonicContact OD1-NH1 3.77Å; D393-R439 PolarHBondContact OD1-NH1 3.38Å; K397-R439 HydrophobicContact CD-CG 4.33Å; K397-R439 HydrophobicContact CG-CG 3.9Å; Y432-R439 PolarHBondContact OH-NH2 3.41Å; H435-R439 WeakPolarHBondContact O-CG 3.27Å; H435-R439 PolarHBondContact O-N 2.98Å; L436-R439 PolarHBondContact O-N 3.18Å; A437-R439 VanDerWaalsContact C-N 3.26Å; A437-R439 PolarHBondContact O-N 2.92Å; R439-S443 PolarHBondContact O-N 3.07Å; R439-K444 PolarHBondContact O-N 2.86Å; R439-E451 WeakPolarHBondContact CD-OE1 3.21Å; R439-E451 IonicContact CZ-OE1 3.16Å; R439-E451 IonicContact CZ-OE2 2.72Å; R439-E451 IonicContact NE-OE1 3.41Å; R439-E451 PolarHBondContact NE-OE1 3.34Å; R439-E451 IonicContact NE-OE2 2.73Å; R439-E451 PolarHBondContact NE-OE2 3.07Å; R439-E451 IonicContact NH2-OE1 2.73Å; R439-E451 IonicContact NH2-OE2 2.72Å; R439-E451 PolarHBondContact NH2-OE2 3.15Å
440	L	86.2	Confident	85.4	Confident	15 Å²	15	39.2 Å²	39.2	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-52.7	-178.3	-68.2	175.6	0	0	0	112	L436 L442 S443 M473 F474 M477 W512	L436-L440 HydrophobicContact CD1-CD1 4.02Å; L436-L440 HydrophobicContact CD1-CD2 4.41Å; L436-L440 HydrophobicContact CD1-CG 3.96Å; L436-L440 HydrophobicContact CG-CD1 3.94Å; L436-L440 HydrophobicContact CG-CG 4.27Å; L436-L440 WeakPolarHBondContact O-CG 3.43Å; L436-L440 PolarHBondContact O-N 3.34Å; L440-L442 PolarHBondContact O-N 3.4Å; L440-S443 PolarHBondContact O-N 3.15Å; L440-S443 VanDerWaalsContact O-N 3.12Å; L440-M473 HydrophobicContact CD1-CB 4.16Å; L440-M473 HydrophobicContact CD1-CE 4.23Å; L440-F474 HydrophobicContact CD1-CE2 4.45Å; L440-F474 HydrophobicContact CD2-CD1 4.39Å; L440-F474 HydrophobicContact CD2-CE1 3.75Å; L440-F474 HydrophobicContact CD2-CE2 4.39Å; L440-F474 HydrophobicContact CD2-CZ 3.73Å; L440-M477 HydrophobicContact CB-CG 4.36Å; L440-M477 HydrophobicContact CB-SD 4.32Å; L440-M477 HydrophobicContact CD1-CG 4.22Å; L440-W512 HydrophobicContact CB-CH2 4.18Å; L440-W512 HydrophobicContact CB-CZ3 4.48Å; L440-W512 HydrophobicContact CD1-CH2 3.8Å; L440-W512 HydrophobicContact CD1-CZ3 4.39Å
441	L	81.5	Confident	85.2	Confident	26 Å²	26	38.7 Å²	38.7	14%	0.136	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-30.8	-173.2	-63.9	169.5	0	0	0	113.2	A437 S443 M477 R505 L507 W512 M553	A437-L441 WeakPolarHBondContact O-CB 3.35Å; A437-L441 WeakPolarHBondContact O-CG 3.41Å; A437-L441 PolarHBondContact O-N 2.95Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-M477 HydrophobicContact CD2-CE 3.98Å; L441-M477 HydrophobicContact CD2-SD 4.31Å; L441-R505 PolarHBondContact O-NH1 2.84Å; L441-L507 HydrophobicContact CD1-CD1 4.35Å; L441-L507 HydrophobicContact CD2-CD1 4.07Å; L441-L507 HydrophobicContact CD2-CD2 4.05Å; L441-W512 HydrophobicContact CD1-CE3 4.01Å; L441-W512 HydrophobicContact CD1-CZ3 3.76Å; L441-W512 HydrophobicContact CD2-CH2 4.13Å; L441-W512 HydrophobicContact CD2-CZ3 3.93Å; L441-W512 HydrophobicContact CG-CE3 4.38Å; L441-W512 HydrophobicContact CG-CH2 4.24Å; L441-W512 HydrophobicContact CG-CZ3 3.65Å; L441-M553 HydrophobicContact CD1-CE 3.3Å
442	L	76.8	Confident	85.1	Confident	73 Å²	73	43.2 Å²	43.2	38%	0.382	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1	175.8	-57.8	-178.2	0	0	0	112.9	K438 L440 K444	K438-L442 WeakPolarHBondContact O-CB 3.36Å; K438-L442 WeakPolarHBondContact O-CD1 3.42Å; K438-L442 WeakPolarHBondContact O-CG 3.02Å; L440-L442 PolarHBondContact O-N 3.4Å; L442-K444 HydrophobicContact CB-CD 3.86Å; L442-K444 HydrophobicContact CB-CG 3.87Å; L442-K444 HydrophobicContact CD1-CD 4.16Å; L442-K444 PolarHBondContact O-N 2.95Å
443	S	75.6	Confident	85	Confident	84 Å²	84	46.1 Å²	46.1	59%	0.587	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	57.7	-175.3	-54	0	0	0	0	111.7	R439 L440 L441 R505	R439-S443 PolarHBondContact O-N 3.07Å; L440-S443 PolarHBondContact O-N 3.15Å; L440-S443 VanDerWaalsContact O-N 3.12Å; L441-S443 VanDerWaalsContact C-N 3.31Å; S443-R505 PolarHBondContact OG-NH2 2.63Å
444	K	73.8	Confident	85	Confident	86 Å²	86	44.6 Å²	44.6	37%	0.374	23%	0.232	S	C	.	.			trans	-113	-0.4	-174.6	-73.7	-177	177.5	177.4	0	115	K397 R439 L442	K397-K444 WeakPolarHBondContact CA-O 3.13Å; K397-K444 HydrophobicContact CG-CB 4.49Å; R439-K444 PolarHBondContact O-N 2.86Å; L442-K444 HydrophobicContact CB-CD 3.86Å; L442-K444 HydrophobicContact CB-CG 3.87Å; L442-K444 HydrophobicContact CD1-CD 4.16Å; L442-K444 PolarHBondContact O-N 2.95Å
445	S	75.1	Confident	85.3	Confident	27 Å²	27	43.7 Å²	43.7	19%	0.189	23%	0.228	C	C	.	.			trans	-74.3	141.7	171.8	-53.1	0	0	0	0	109.8	E451	S445-E451 VanDerWaalsContact CB-OE1 3.3Å; S445-E451 WeakPolarHBondContact CB-OE1 3.23Å; S445-E451 PolarHBondContact OG-OE1 3.43Å
446	Q	73.4	Confident	85.5	Confident	124 Å²	124	46.4 Å²	46.4	58%	0.579	25%	0.248	S	C	*	.	S	Bend	trans	-72.8	-41.6	173.2	-175.9	-164.3	-18	0	0	112	L396	L396-Q446 PolarHBondContact O-N 2.82Å; L396-Q446 VanDerWaalsContact O-N 3.11Å
447	S	83.1	Confident	85.7	Confident	33 Å²	33	48.1 Å²	48.1	23%	0.231	26%	0.255	C	S	.	.			trans	-144.6	127.6	-176	170.4	0	0	0	0	109.9	D449 Q450 E451	S447-D449 PolarHBondContact O-N 3.01Å; S447-D449 PolarHBondContact OG-N 3.03Å; S447-Q450 PolarHBondContact OG-N 2.8Å; S447-E451 WeakPolarHBondContact O-CG 3.44Å; S447-E451 PolarHBondContact O-N 3.05Å
448	D	82.7	Confident	86	Confident	90 Å²	90	47.8 Å²	47.8	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-67.1	-25.2	174.4	-75	-10.8	0	0	0	111.7	K452	D448-K452 WeakPolarHBondContact O-CE 3.27Å; D448-K452 VanDerWaalsContact O-CG 3.27Å; D448-K452 WeakPolarHBondContact O-CG 3.36Å; D448-K452 PolarHBondContact O-N 2.78Å; D448-K452 VanDerWaalsContact O-N 3.12Å
449	D	87.4	Confident	86.5	Confident	94 Å²	94	47.5 Å²	47.5	50%	0.503	25%	0.253	S	S	.	.	H	α-helix	trans	-77.8	-36.4	-180	-64.1	-43.7	0	0	0	111.7	S447 E451 K452 I453	S447-D449 PolarHBondContact O-N 3.01Å; S447-D449 PolarHBondContact OG-N 3.03Å; D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 3.07Å; D449-K452 PolarHBondContact O-N 2.98Å; D449-K452 IonicContact OD1-NZ 2.76Å; D449-K452 PolarHBondContact OD1-NZ 3.48Å; D449-I453 WeakPolarHBondContact O-CB 3.14Å; D449-I453 VanDerWaalsContact O-CG1 3.26Å; D449-I453 WeakPolarHBondContact O-CG1 3.48Å; D449-I453 PolarHBondContact O-N 2.91Å
450	Q	88.8	Confident	86.8	Confident	13 Å²	13	51.6 Å²	51.6	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-35.7	171.3	-69.2	-70.8	3.4	0	0	111.9	L396 D405 F412 S447 I453 M454	L396-Q450 HydrophobicContact CD2-CB 4.07Å; D405-Q450 PolarHBondContact O-NE2 3.43Å; D405-Q450 PolarHBondContact OD1-NE2 3.47Å; F412-Q450 HydrophobicContact CE2-CB 4.36Å; S447-Q450 PolarHBondContact OG-N 2.8Å; Q450-I453 PolarHBondContact O-N 3.1Å; Q450-M454 PolarHBondContact O-N 2.79Å
451	E	89.6	Confident	86.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-42	172.5	-62.5	-92.5	-165.9	0	0	112	L396 L436 R439 S445 S447 D449 M454 I455 F474	L396-E451 HydrophobicContact CD2-CG 4.21Å; L436-E451 WeakPolarHBondContact CD1-OE2 3.46Å; R439-E451 WeakPolarHBondContact CD-OE1 3.21Å; R439-E451 IonicContact CZ-OE1 3.16Å; R439-E451 IonicContact CZ-OE2 2.72Å; R439-E451 IonicContact NE-OE1 3.41Å; R439-E451 PolarHBondContact NE-OE1 3.34Å; R439-E451 IonicContact NE-OE2 2.73Å; R439-E451 PolarHBondContact NE-OE2 3.07Å; R439-E451 IonicContact NH2-OE1 2.73Å; R439-E451 IonicContact NH2-OE2 2.72Å; R439-E451 PolarHBondContact NH2-OE2 3.15Å; S445-E451 VanDerWaalsContact CB-OE1 3.3Å; S445-E451 WeakPolarHBondContact CB-OE1 3.23Å; S445-E451 PolarHBondContact OG-OE1 3.43Å; S447-E451 WeakPolarHBondContact O-CG 3.44Å; S447-E451 PolarHBondContact O-N 3.05Å; D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 3.07Å; E451-M454 PolarHBondContact O-N 3.2Å; E451-I455 WeakPolarHBondContact O-CG1 3.47Å; E451-I455 PolarHBondContact O-N 2.91Å; E451-F474 HydrophobicContact CB-CE1 4.46Å; E451-F474 HydrophobicContact CB-CE2 4.18Å; E451-F474 HydrophobicContact CB-CZ 3.53Å; E451-F474 HydrophobicContact CG-CZ 4.19Å
452	K	91.7	Very high	87.4	Confident	95 Å²	95	53.4 Å²	53.4	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.2	-68.8	164.8	-150.6	161.3	0	111.5	D448 D449 I455 S456	D448-K452 WeakPolarHBondContact O-CE 3.27Å; D448-K452 VanDerWaalsContact O-CG 3.27Å; D448-K452 WeakPolarHBondContact O-CG 3.36Å; D448-K452 PolarHBondContact O-N 2.78Å; D448-K452 VanDerWaalsContact O-N 3.12Å; D449-K452 PolarHBondContact O-N 2.98Å; D449-K452 IonicContact OD1-NZ 2.76Å; D449-K452 PolarHBondContact OD1-NZ 3.48Å; K452-I455 PolarHBondContact O-N 3.37Å; K452-S456 WeakPolarHBondContact O-CB 3.42Å; K452-S456 PolarHBondContact O-N 2.91Å; K452-S456 PolarHBondContact O-OG 3.11Å
453	I	92.9	Very high	88	Confident	62 Å²	62	51.5 Å²	51.5	32%	0.318	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-49.5	177.1	-73	162.5	0	0	0	110	D409 F412 D449 Q450 I455 S456 K457	D409-I453 WeakPolarHBondContact OD1-CG2 3.47Å; F412-I453 HydrophobicContact CD2-CG2 4.36Å; D449-I453 WeakPolarHBondContact O-CB 3.14Å; D449-I453 VanDerWaalsContact O-CG1 3.26Å; D449-I453 WeakPolarHBondContact O-CG1 3.48Å; D449-I453 PolarHBondContact O-N 2.91Å; Q450-I453 PolarHBondContact O-N 3.1Å; I453-I455 VanDerWaalsContact C-N 3.34Å; I453-I455 PolarHBondContact O-N 3.14Å; I453-S456 WeakPolarHBondContact O-CB 2.77Å; I453-S456 PolarHBondContact O-N 3.49Å; I453-K457 PolarHBondContact O-N 2.92Å
454	M	94.4	Very high	88.7	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-41.9	176.3	-173.3	67.7	-142.3	0	0	112.3	I392 F412 I416 Y432 Q450 E451 S456 K457 L458	I392-M454 HydrophobicContact CD1-CE 3.86Å; I392-M454 HydrophobicContact CD1-SD 4.5Å; I392-M454 HydrophobicContact CG2-CG 4.06Å; I392-M454 HydrophobicContact CG2-SD 4Å; F412-M454 HydrophobicContact CB-SD 3.98Å; F412-M454 HydrophobicContact CD1-SD 3.81Å; F412-M454 HydrophobicContact CD2-CB 4.35Å; F412-M454 HydrophobicContact CD2-SD 4.3Å; F412-M454 HydrophobicContact CE1-SD 4.38Å; F412-M454 HydrophobicContact CE2-CB 4.27Å; F412-M454 HydrophobicContact CG-SD 3.78Å; I416-M454 HydrophobicContact CD1-CE 3.83Å; I416-M454 HydrophobicContact CG1-CE 4.22Å; Y432-M454 HydrophobicContact CE2-CG 4.34Å; Y432-M454 WeakPolarHBondContact OH-CG 3.41Å; Q450-M454 PolarHBondContact O-N 2.79Å; E451-M454 PolarHBondContact O-N 3.2Å; M454-S456 VanDerWaalsContact C-N 3.34Å; M454-K457 PolarHBondContact O-N 2.99Å; M454-L458 HydrophobicContact CE-CD1 4.16Å; M454-L458 HydrophobicContact CE-CD2 4.09Å; M454-L458 HydrophobicContact CE-CG 3.91Å; M454-L458 WeakPolarHBondContact O-CG 3.43Å; M454-L458 PolarHBondContact O-N 3.17Å; M454-L458 VanDerWaalsContact O-N 3.07Å
455	I	94.6	Very high	89.5	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-38	174.3	-70	170.3	0	0	0	111.2	Y432 L436 E451 K452 I453 L458 M459 T467 L470 E471 F474	Y432-I455 HydrophobicContact CE1-CG1 4.49Å; L436-I455 HydrophobicContact CD2-CD1 4.19Å; E451-I455 WeakPolarHBondContact O-CG1 3.47Å; E451-I455 PolarHBondContact O-N 2.91Å; K452-I455 PolarHBondContact O-N 3.37Å; I453-I455 VanDerWaalsContact C-N 3.34Å; I453-I455 PolarHBondContact O-N 3.14Å; I455-L458 PolarHBondContact O-N 3.07Å; I455-M459 PolarHBondContact O-N 3.09Å; I455-T467 HydrophobicContact CG2-CG2 4.03Å; I455-L470 HydrophobicContact CD1-CB 3.87Å; I455-L470 HydrophobicContact CG1-CB 4.31Å; I455-L470 HydrophobicContact CG1-CD1 4.32Å; I455-E471 HydrophobicContact CG2-CG 3.96Å; I455-F474 HydrophobicContact CD1-CD2 3.88Å; I455-F474 HydrophobicContact CD1-CE2 3.58Å
456	S	95.2	Very high	90.2	Very high	63 Å²	63	50.1 Å²	50.1	44%	0.441	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-40.1	179.5	-57	0	0	0	0	111.7	K452 I453 M454 M459 A460	K452-S456 WeakPolarHBondContact O-CB 3.42Å; K452-S456 PolarHBondContact O-N 2.91Å; K452-S456 PolarHBondContact O-OG 3.11Å; I453-S456 WeakPolarHBondContact O-CB 2.77Å; I453-S456 PolarHBondContact O-N 3.49Å; M454-S456 VanDerWaalsContact C-N 3.34Å; S456-M459 WeakPolarHBondContact O-CB 3.49Å; S456-M459 PolarHBondContact O-N 3.36Å; S456-A460 PolarHBondContact O-N 2.85Å; S456-A460 VanDerWaalsContact O-N 3.07Å
457	K	95.5	Very high	91.2	Very high	35 Å²	35	44.2 Å²	44.2	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-41.9	171.8	-62.3	-176.8	-163.1	-90.5	0	111.5	D409 F412 D413 I416 I453 M454 M459 A460 E461	D409-K457 WeakPolarHBondContact OD1-CE 3.5Å; D409-K457 IonicContact OD1-NZ 2.67Å; D409-K457 PolarHBondContact OD1-NZ 3.39Å; D409-K457 IonicContact OD2-NZ 2.73Å; D409-K457 PolarHBondContact OD2-NZ 3.32Å; F412-K457 HydrophobicContact CB-CD 4.09Å; D413-K457 WeakPolarHBondContact OD1-CD 3.49Å; D413-K457 WeakPolarHBondContact OD1-CE 3.42Å; D413-K457 IonicContact OD1-NZ 3.61Å; D413-K457 PolarHBondContact OD1-NZ 3.04Å; D413-K457 IonicContact OD2-NZ 3.4Å; D413-K457 PolarHBondContact OD2-NZ 2.76Å; D413-K457 VanDerWaalsContact OD2-NZ 3.11Å; I416-K457 HydrophobicContact CD1-CB 3.76Å; I416-K457 HydrophobicContact CG1-CB 3.84Å; I416-K457 HydrophobicContact CG1-CD 4.22Å; I453-K457 PolarHBondContact O-N 2.92Å; M454-K457 PolarHBondContact O-N 2.99Å; K457-M459 VanDerWaalsContact C-N 3.3Å; K457-M459 PolarHBondContact O-N 3.44Å; K457-A460 PolarHBondContact O-N 3.27Å; K457-E461 PolarHBondContact O-N 3.41Å
458	L	95.4	Very high	91.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-33.5	173	-69.4	170.3	0	0	0	113.1	I416 F419 F428 Y432 M454 I455 E461 C462 T467	I416-L458 HydrophobicContact CD1-CD2 3.96Å; I416-L458 HydrophobicContact CD1-CG 4.32Å; F419-L458 HydrophobicContact CD1-CD2 4.1Å; F419-L458 HydrophobicContact CD2-CD2 4.21Å; F419-L458 HydrophobicContact CE1-CD2 3.96Å; F419-L458 HydrophobicContact CE2-CD2 4.1Å; F419-L458 HydrophobicContact CG-CD2 4.23Å; F419-L458 HydrophobicContact CZ-CD2 3.96Å; F428-L458 HydrophobicContact CE1-CD1 4.1Å; F428-L458 HydrophobicContact CE1-CD2 3.9Å; Y432-L458 HydrophobicContact CD1-CD1 4.37Å; Y432-L458 HydrophobicContact CE1-CD1 4.22Å; M454-L458 HydrophobicContact CE-CD1 4.16Å; M454-L458 HydrophobicContact CE-CD2 4.09Å; M454-L458 HydrophobicContact CE-CG 3.91Å; M454-L458 WeakPolarHBondContact O-CG 3.43Å; M454-L458 PolarHBondContact O-N 3.17Å; M454-L458 VanDerWaalsContact O-N 3.07Å; I455-L458 PolarHBondContact O-N 3.07Å; L458-E461 PolarHBondContact O-N 3.08Å; L458-C462 PolarHBondContact O-N 3.33Å; L458-C462 VanDerWaalsContact O-N 3.11Å; L458-T467 HydrophobicContact CB-CG2 4.04Å
459	M	94.4	Very high	92.1	Very high	70 Å²	70	43.5 Å²	43.5	35%	0.345	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-37.1	175.4	-177.7	172	56.2	0	0	111.7	I455 S456 K457 E461 G463 A464 T467	I455-M459 PolarHBondContact O-N 3.09Å; S456-M459 WeakPolarHBondContact O-CB 3.49Å; S456-M459 PolarHBondContact O-N 3.36Å; K457-M459 VanDerWaalsContact C-N 3.3Å; K457-M459 PolarHBondContact O-N 3.44Å; M459-E461 VanDerWaalsContact C-N 3.33Å; M459-E461 PolarHBondContact O-N 3.17Å; M459-G463 WeakPolarHBondContact O-CA 3.44Å; M459-G463 PolarHBondContact O-N 3.04Å; M459-A464 HydrophobicContact CG-CB 4.31Å; M459-A464 HydrophobicContact SD-CB 3.89Å; M459-T467 HydrophobicContact CB-CG2 3.77Å
460	A	94	Very high	92.5	Very high	86 Å²	86	39.1 Å²	39.1	71%	0.711	24%	0.237	S	C	*	.	H	α-helix	trans	-63.2	-38.4	176.2	0	0	0	0	0	112.2	S456 K457	S456-A460 PolarHBondContact O-N 2.85Å; S456-A460 VanDerWaalsContact O-N 3.07Å; K457-A460 PolarHBondContact O-N 3.27Å
461	E	89.9	Confident	92.7	Very high	62 Å²	62	41.9 Å²	41.9	29%	0.29	25%	0.249	S	C	.	.	H	α-helix	trans	-80.9	-31	-178.3	-59.7	-66.1	153.4	0	0	114.2	I416 F419 R420 K457 L458 M459	I416-E461 HydrophobicContact CD1-CG 4.43Å; I416-E461 HydrophobicContact CG2-CG 3.8Å; I416-E461 WeakPolarHBondContact CG2-OE1 3.04Å; F419-E461 HydrophobicContact CD1-CB 4.29Å; F419-E461 HydrophobicContact CD1-CG 4.41Å; F419-E461 HydrophobicContact CE1-CB 3.98Å; R420-E461 WeakPolarHBondContact CD-OE2 3.33Å; R420-E461 WeakPolarHBondContact CG-OE2 3.34Å; R420-E461 IonicContact CZ-OE1 2.91Å; R420-E461 VanDerWaalsContact CZ-OE1 3.22Å; R420-E461 IonicContact CZ-OE2 3.53Å; R420-E461 IonicContact NE-OE1 3.02Å; R420-E461 PolarHBondContact NE-OE1 3.21Å; R420-E461 IonicContact NE-OE2 2.73Å; R420-E461 PolarHBondContact NE-OE2 2.99Å; R420-E461 IonicContact NH2-OE1 3.98Å; R420-E461 PolarHBondContact NH2-OE1 3.31Å; K457-E461 PolarHBondContact O-N 3.41Å; L458-E461 PolarHBondContact O-N 3.08Å; M459-E461 VanDerWaalsContact C-N 3.33Å; M459-E461 PolarHBondContact O-N 3.17Å
462	C	90	Very high	92.9	Very high	17 Å²	17	42.5 Å²	42.5	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-127.7	-1.3	-170.5	-72.6	0	0	0	0	115.5	L458 Y466	L458-C462 PolarHBondContact O-N 3.33Å; L458-C462 VanDerWaalsContact O-N 3.11Å; C462-Y466 HydrophobicContact CB-CD1 3.52Å; C462-Y466 HydrophobicContact CB-CD2 4.02Å; C462-Y466 HydrophobicContact CB-CE1 4.05Å; C462-Y466 HydrophobicContact CB-CG 3.49Å; C462-Y466 VanDerWaalsContact CB-CG 3.49Å
463	G	90.4	Very high	93.1	Very high	33 Å²	33	38 Å²	38	34%	0.34	24%	0.236	S	C	.	.			trans	75.4	155.9	179.1	0	0	0	0	0	114.6	M459 V465 Y466	M459-G463 WeakPolarHBondContact O-CA 3.44Å; M459-G463 PolarHBondContact O-N 3.04Å; G463-V465 PolarHBondContact O-N 2.88Å; G463-Y466 WeakPolarHBondContact O-CB 3.11Å; G463-Y466 PolarHBondContact O-N 2.82Å
464	A	91.1	Very high	93	Very high	52 Å²	52	36.5 Å²	36.5	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-54.5	-29.3	-174	0	0	0	0	0	114.8	M459 Y466 T467 S468	M459-A464 HydrophobicContact CG-CB 4.31Å; M459-A464 HydrophobicContact SD-CB 3.89Å; A464-Y466 PolarHBondContact O-N 3.3Å; A464-T467 PolarHBondContact O-N 2.97Å; A464-T467 PolarHBondContact O-OG1 2.92Å; A464-S468 WeakPolarHBondContact O-CB 3.41Å; A464-S468 PolarHBondContact O-N 3.05Å
465	V	89.6	Confident	93	Very high	113 Å²	113	43.7 Å²	43.7	69%	0.685	26%	0.259	S	S	*	.	H	α-helix	trans	-63.4	-28.8	176.6	-175.7	0	0	0	0	111.7	G463 S468	G463-V465 PolarHBondContact O-N 2.88Å; V465-S468 PolarHBondContact O-OG 3.16Å
466	Y	90.7	Very high	93	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-75.4	-45	174.6	179.3	-95.3	0	0	0	111.9	F419 K425 E429 C462 G463 A464	F419-Y466 HydrophobicContact CZ-CE1 4.25Å; F419-Y466 WeakPolarHBondContact CZ-OH 3.27Å; K425-Y466 PolarHBondContact O-OH 2.89Å; E429-Y466 HydrophobicContact CB-CE2 3.9Å; E429-Y466 HydrophobicContact CG-CE2 4.24Å; C462-Y466 HydrophobicContact CB-CD1 3.52Å; C462-Y466 HydrophobicContact CB-CD2 4.02Å; C462-Y466 HydrophobicContact CB-CE1 4.05Å; C462-Y466 HydrophobicContact CB-CG 3.49Å; C462-Y466 VanDerWaalsContact CB-CG 3.49Å; G463-Y466 WeakPolarHBondContact O-CB 3.11Å; G463-Y466 PolarHBondContact O-N 2.82Å; A464-Y466 PolarHBondContact O-N 3.3Å
467	T	94.1	Very high	92.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-80.3	-19.3	-178.4	50.5	0	0	0	0	114.9	I455 L458 M459 A464 K469 L470 E471	I455-T467 HydrophobicContact CG2-CG2 4.03Å; L458-T467 HydrophobicContact CB-CG2 4.04Å; M459-T467 HydrophobicContact CB-CG2 3.77Å; A464-T467 PolarHBondContact O-N 2.97Å; A464-T467 PolarHBondContact O-OG1 2.92Å; T467-K469 PolarHBondContact O-N 3.36Å; T467-L470 WeakPolarHBondContact O-CA 3.23Å; T467-L470 WeakPolarHBondContact O-CB 3.48Å; T467-L470 PolarHBondContact O-N 2.66Å; T467-E471 VanDerWaalsContact CB-OE1 3.28Å; T467-E471 WeakPolarHBondContact CB-OE1 3.38Å; T467-E471 PolarHBondContact O-N 3.14Å; T467-E471 PolarHBondContact OG1-OE1 3.49Å
468	S	93.3	Very high	92.6	Very high	52 Å²	52	43.9 Å²	43.9	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-42.7	-39	-176	60.3	0	0	0	0	116.3	A464 V465 G472	A464-S468 WeakPolarHBondContact O-CB 3.41Å; A464-S468 PolarHBondContact O-N 3.05Å; V465-S468 PolarHBondContact O-OG 3.16Å; S468-G472 PolarHBondContact O-N 2.82Å
469	K	92	Very high	92.6	Very high	57 Å²	57	47.2 Å²	47.2	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-70.4	-40	177.5	-60.3	171.8	-161.1	148.4	0	112.1	E429 K433 T467 G472 M473	E429-K469 WeakPolarHBondContact OE1-CD 3.35Å; E429-K469 IonicContact OE1-NZ 3.96Å; E429-K469 PolarHBondContact OE1-NZ 2.77Å; E429-K469 IonicContact OE2-NZ 2.99Å; E429-K469 PolarHBondContact OE2-NZ 2.81Å; K433-K469 HydrophobicContact CD-CB 4.47Å; K433-K469 HydrophobicContact CD-CD 4.49Å; T467-K469 PolarHBondContact O-N 3.36Å; K469-G472 PolarHBondContact O-N 3.33Å; K469-M473 VanDerWaalsContact O-CG 3.29Å; K469-M473 WeakPolarHBondContact O-CG 3.31Å; K469-M473 PolarHBondContact O-N 3.49Å
470	L	94.2	Very high	92.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-43.7	179.5	-50.1	176.3	0	0	0	110.5	Y432 K433 L436 I455 T467 G472 M473 F474	Y432-L470 HydrophobicContact CD1-CD1 3.89Å; Y432-L470 HydrophobicContact CD1-CD2 4.24Å; Y432-L470 HydrophobicContact CE1-CD1 4.1Å; K433-L470 HydrophobicContact CB-CD2 3.8Å; K433-L470 HydrophobicContact CG-CD2 4.08Å; L436-L470 HydrophobicContact CD2-CB 3.99Å; L436-L470 HydrophobicContact CD2-CD2 3.92Å; L436-L470 HydrophobicContact CD2-CG 4.5Å; I455-L470 HydrophobicContact CD1-CB 3.87Å; I455-L470 HydrophobicContact CG1-CB 4.31Å; I455-L470 HydrophobicContact CG1-CD1 4.32Å; T467-L470 WeakPolarHBondContact O-CA 3.23Å; T467-L470 WeakPolarHBondContact O-CB 3.48Å; T467-L470 PolarHBondContact O-N 2.66Å; L470-G472 VanDerWaalsContact C-N 3.34Å; L470-M473 HydrophobicContact CD2-SD 4.48Å; L470-M473 WeakPolarHBondContact O-CB 3.39Å; L470-M473 PolarHBondContact O-N 2.91Å; L470-F474 PolarHBondContact O-N 3.47Å
471	E	94.2	Very high	92.5	Very high	70 Å²	70	46.8 Å²	46.8	33%	0.327	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-41.8	173.5	-65.3	162.1	-179.1	0	0	111.3	I455 T467 M473 F474 K475	I455-E471 HydrophobicContact CG2-CG 3.96Å; T467-E471 VanDerWaalsContact CB-OE1 3.28Å; T467-E471 WeakPolarHBondContact CB-OE1 3.38Å; T467-E471 PolarHBondContact O-N 3.14Å; T467-E471 PolarHBondContact OG1-OE1 3.49Å; E471-M473 VanDerWaalsContact C-N 3.32Å; E471-M473 PolarHBondContact O-N 3.08Å; E471-F474 WeakPolarHBondContact O-CB 3.47Å; E471-F474 PolarHBondContact O-N 2.97Å; E471-F474 VanDerWaalsContact O-N 3.15Å; E471-K475 PolarHBondContact O-N 2.75Å
472	G	94.3	Very high	92.7	Very high	13 Å²	13	47.6 Å²	47.6	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-35.4	174.2	0	0	0	0	0	113.7	S468 K469 L470 K475 D476	S468-G472 PolarHBondContact O-N 2.82Å; K469-G472 PolarHBondContact O-N 3.33Å; L470-G472 VanDerWaalsContact C-N 3.34Å; G472-K475 PolarHBondContact O-N 2.77Å; G472-D476 PolarHBondContact O-N 2.96Å
473	M	94	Very high	93	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-39.5	172.4	-68.3	163.1	56.1	0	0	112	K433 L436 A437 L440 K469 L470 E471 D476 M477 W512	K433-M473 HydrophobicContact CG-SD 3.87Å; L436-M473 HydrophobicContact CB-CE 4.17Å; L436-M473 HydrophobicContact CD2-CE 3.86Å; L436-M473 HydrophobicContact CD2-SD 4.36Å; L436-M473 HydrophobicContact CG-CE 3.82Å; A437-M473 HydrophobicContact CB-CE 3.73Å; L440-M473 HydrophobicContact CD1-CB 4.16Å; L440-M473 HydrophobicContact CD1-CE 4.23Å; K469-M473 VanDerWaalsContact O-CG 3.29Å; K469-M473 WeakPolarHBondContact O-CG 3.31Å; K469-M473 PolarHBondContact O-N 3.49Å; L470-M473 HydrophobicContact CD2-SD 4.48Å; L470-M473 WeakPolarHBondContact O-CB 3.39Å; L470-M473 PolarHBondContact O-N 2.91Å; E471-M473 VanDerWaalsContact C-N 3.32Å; E471-M473 PolarHBondContact O-N 3.08Å; M473-D476 PolarHBondContact O-N 3.1Å; M473-M477 WeakPolarHBondContact O-CG 3.48Å; M473-M477 PolarHBondContact O-N 2.92Å; M473-M477 VanDerWaalsContact O-N 3.12Å; M473-W512 HydrophobicContact CB-CD2 4.43Å; M473-W512 HydrophobicContact CB-CH2 4.01Å; M473-W512 HydrophobicContact CB-CZ2 3.6Å; M473-W512 HydrophobicContact CE-CD2 4.35Å; M473-W512 HydrophobicContact CE-CE3 3.86Å; M473-W512 HydrophobicContact CE-CH2 4.23Å; M473-W512 HydrophobicContact CE-CZ3 3.8Å; M473-W512 HydrophobicContact CG-CD2 3.81Å; M473-W512 HydrophobicContact CG-CE3 4.27Å; M473-W512 HydrophobicContact CG-CG 4.17Å; M473-W512 HydrophobicContact CG-CH2 4.37Å; M473-W512 HydrophobicContact CG-CZ2 3.91Å; M473-W512 WeakPolarHBondContact O-CZ2 3.24Å
474	F	92.4	Very high	93.2	Very high	32 Å²	32	46.5 Å²	46.5	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-40.1	171.8	-87.4	-82	0	0	0	112.3	L436 L440 E451 I455 L470 E471 M477 A478	L436-F474 HydrophobicContact CD1-CE2 3.88Å; L436-F474 HydrophobicContact CD1-CZ 4.21Å; L436-F474 HydrophobicContact CD2-CE2 4.25Å; L440-F474 HydrophobicContact CD1-CE2 4.45Å; L440-F474 HydrophobicContact CD2-CD1 4.39Å; L440-F474 HydrophobicContact CD2-CE1 3.75Å; L440-F474 HydrophobicContact CD2-CE2 4.39Å; L440-F474 HydrophobicContact CD2-CZ 3.73Å; E451-F474 HydrophobicContact CB-CE1 4.46Å; E451-F474 HydrophobicContact CB-CE2 4.18Å; E451-F474 HydrophobicContact CB-CZ 3.53Å; E451-F474 HydrophobicContact CG-CZ 4.19Å; I455-F474 HydrophobicContact CD1-CD2 3.88Å; I455-F474 HydrophobicContact CD1-CE2 3.58Å; L470-F474 PolarHBondContact O-N 3.47Å; E471-F474 WeakPolarHBondContact O-CB 3.47Å; E471-F474 PolarHBondContact O-N 2.97Å; E471-F474 VanDerWaalsContact O-N 3.15Å; F474-M477 PolarHBondContact O-N 2.96Å; F474-A478 PolarHBondContact O-N 3.29Å
475	K	93.7	Very high	93.3	Very high	151 Å²	151	47.8 Å²	47.8	66%	0.657	26%	0.259	S	S	*	.	H	α-helix	trans	-62.7	-42.7	175.8	-170.2	172.6	-177.8	173.3	0	112.2	E471 G472 M477 A478 V479	E471-K475 PolarHBondContact O-N 2.75Å; G472-K475 PolarHBondContact O-N 2.77Å; K475-M477 VanDerWaalsContact C-N 3.33Å; K475-M477 PolarHBondContact O-N 2.81Å; K475-A478 PolarHBondContact O-N 3.5Å; K475-V479 HydrophobicContact CG-CG2 4.38Å; K475-V479 WeakPolarHBondContact O-CB 3.42Å; K475-V479 VanDerWaalsContact O-CG2 3.32Å; K475-V479 WeakPolarHBondContact O-CG2 3.43Å; K475-V479 PolarHBondContact O-N 3.47Å
476	D	94.4	Very high	93.5	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-38.9	174.3	-78.7	-18.6	0	0	0	112	G472 M473 S480 T508 W512	G472-D476 PolarHBondContact O-N 2.96Å; M473-D476 PolarHBondContact O-N 3.1Å; D476-S480 WeakPolarHBondContact O-CB 3.1Å; D476-S480 PolarHBondContact O-N 3.03Å; D476-S480 PolarHBondContact O-OG 3.06Å; D476-T508 PolarHBondContact OD1-OG1 3.4Å; D476-T508 VanDerWaalsContact OD2-CB 3.27Å; D476-T508 WeakPolarHBondContact OD2-CB 3.26Å; D476-T508 PolarHBondContact OD2-N 2.99Å; D476-T508 PolarHBondContact OD2-OG1 3.38Å; D476-W512 HydrophobicContact CB-CZ2 4.17Å; D476-W512 PolarHBondContact OD2-NE1 3.42Å
477	M	91.3	Very high	93.7	Very high	32 Å²	32	45.7 Å²	45.7	16%	0.158	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-44.5	175.3	-68.3	-67.5	89.9	0	0	112.5	L440 L441 M473 F474 K475 S480 K481 R505 L507 W512	L440-M477 HydrophobicContact CB-CG 4.36Å; L440-M477 HydrophobicContact CB-SD 4.32Å; L440-M477 HydrophobicContact CD1-CG 4.22Å; L441-M477 HydrophobicContact CD2-CE 3.98Å; L441-M477 HydrophobicContact CD2-SD 4.31Å; M473-M477 WeakPolarHBondContact O-CG 3.48Å; M473-M477 PolarHBondContact O-N 2.92Å; M473-M477 VanDerWaalsContact O-N 3.12Å; F474-M477 PolarHBondContact O-N 2.96Å; K475-M477 VanDerWaalsContact C-N 3.33Å; K475-M477 PolarHBondContact O-N 2.81Å; M477-S480 PolarHBondContact O-N 3.02Å; M477-K481 PolarHBondContact O-N 3.43Å; M477-K481 VanDerWaalsContact O-N 3.09Å; M477-R505 HydrophobicContact CE-CB 4.1Å; M477-L507 HydrophobicContact CE-CD2 3.33Å; M477-W512 HydrophobicContact CE-CH2 3.79Å; M477-W512 HydrophobicContact CE-CZ2 3.74Å; M477-W512 HydrophobicContact CG-CH2 4.05Å; M477-W512 HydrophobicContact CG-CZ2 4.2Å; M477-W512 HydrophobicContact SD-CH2 4.05Å; M477-W512 HydrophobicContact SD-CZ2 4.45Å
478	A	92.3	Very high	93.5	Very high	60 Å²	60	49 Å²	49	50%	0.496	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-48.8	177	0	0	0	0	0	111.9	F474 K475 S480 K481 T482	F474-A478 PolarHBondContact O-N 3.29Å; K475-A478 PolarHBondContact O-N 3.5Å; A478-S480 VanDerWaalsContact C-N 3.34Å; A478-S480 PolarHBondContact O-N 2.67Å; A478-K481 WeakPolarHBondContact O-CB 3.26Å; A478-K481 PolarHBondContact O-N 2.76Å; A478-T482 PolarHBondContact O-N 3.48Å; A478-T482 VanDerWaalsContact O-N 3.14Å; A478-T482 PolarHBondContact O-OG1 3.38Å
479	V	94.5	Very high	93.4	Very high	70 Å²	70	51.2 Å²	51.2	42%	0.424	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-38.4	177.9	172.2	0	0	0	0	111.4	K475 K481 T482 L483	K475-V479 HydrophobicContact CG-CG2 4.38Å; K475-V479 WeakPolarHBondContact O-CB 3.42Å; K475-V479 VanDerWaalsContact O-CG2 3.32Å; K475-V479 WeakPolarHBondContact O-CG2 3.43Å; K475-V479 PolarHBondContact O-N 3.47Å; V479-K481 VanDerWaalsContact C-N 3.31Å; V479-K481 PolarHBondContact O-N 2.89Å; V479-T482 PolarHBondContact O-N 3.11Å; V479-L483 HydrophobicContact CG1-CD1 3.9Å; V479-L483 HydrophobicContact CG1-CG 4.3Å; V479-L483 WeakPolarHBondContact O-CB 3.2Å; V479-L483 WeakPolarHBondContact O-CG 3.13Å; V479-L483 PolarHBondContact O-N 3.45Å
480	S	93.7	Very high	93.2	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-43	173.2	-70.1	0	0	0	0	112	D476 M477 A478 L483 M484 V506	D476-S480 WeakPolarHBondContact O-CB 3.1Å; D476-S480 PolarHBondContact O-N 3.03Å; D476-S480 PolarHBondContact O-OG 3.06Å; M477-S480 PolarHBondContact O-N 3.02Å; A478-S480 VanDerWaalsContact C-N 3.34Å; A478-S480 PolarHBondContact O-N 2.67Å; S480-L483 PolarHBondContact O-N 2.66Å; S480-M484 WeakPolarHBondContact O-CB 3.3Å; S480-M484 PolarHBondContact O-N 2.69Å; S480-V506 PolarHBondContact OG-N 3.22Å; S480-V506 PolarHBondContact OG-O 2.94Å; S480-V506 VanDerWaalsContact OG-O 3.13Å
481	K	92.3	Very high	92.9	Very high	143 Å²	143	53.4 Å²	53.4	62%	0.622	28%	0.283	S	S	*	.	H	α-helix	trans	-62.4	-50.7	177.7	-172.5	-175.4	173.6	-174.2	0	111	M477 A478 V479 L483 M484 D485	M477-K481 PolarHBondContact O-N 3.43Å; M477-K481 VanDerWaalsContact O-N 3.09Å; A478-K481 WeakPolarHBondContact O-CB 3.26Å; A478-K481 PolarHBondContact O-N 2.76Å; V479-K481 VanDerWaalsContact C-N 3.31Å; V479-K481 PolarHBondContact O-N 2.89Å; K481-L483 VanDerWaalsContact C-N 3.35Å; K481-L483 PolarHBondContact O-N 3.5Å; K481-M484 WeakPolarHBondContact O-CA 3.37Å; K481-M484 VanDerWaalsContact O-CB 3.31Å; K481-M484 WeakPolarHBondContact O-CB 3.37Å; K481-M484 PolarHBondContact O-N 3.05Å; K481-D485 VanDerWaalsContact O-CG 3.31Å; K481-D485 PolarHBondContact O-N 2.94Å
482	T	95.3	Very high	92.5	Very high	79 Å²	79	53.8 Å²	53.8	49%	0.485	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-43.4	178.3	-54	0	0	0	0	112.3	A478 V479 M484 D485 E486	A478-T482 PolarHBondContact O-N 3.48Å; A478-T482 VanDerWaalsContact O-N 3.14Å; A478-T482 PolarHBondContact O-OG1 3.38Å; V479-T482 PolarHBondContact O-N 3.11Å; T482-M484 VanDerWaalsContact C-N 3.25Å; T482-M484 PolarHBondContact O-N 3.16Å; T482-D485 PolarHBondContact O-N 2.66Å; T482-E486 WeakPolarHBondContact O-CB 3.34Å; T482-E486 VanDerWaalsContact O-CG 3.27Å; T482-E486 WeakPolarHBondContact O-CG 3.38Å; T482-E486 PolarHBondContact O-N 3.48Å
483	L	94.7	Very high	92.1	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-30.3	175.2	-73.2	171.7	0	0	0	113.1	V479 S480 K481 F487 F537 Y538	V479-L483 HydrophobicContact CG1-CD1 3.9Å; V479-L483 HydrophobicContact CG1-CG 4.3Å; V479-L483 WeakPolarHBondContact O-CB 3.2Å; V479-L483 WeakPolarHBondContact O-CG 3.13Å; V479-L483 PolarHBondContact O-N 3.45Å; S480-L483 PolarHBondContact O-N 2.66Å; K481-L483 VanDerWaalsContact C-N 3.35Å; K481-L483 PolarHBondContact O-N 3.5Å; L483-F487 WeakPolarHBondContact O-CB 3.48Å; L483-F487 PolarHBondContact O-N 2.69Å; L483-F537 WeakPolarHBondContact O-CE1 3.46Å; L483-Y538 HydrophobicContact CD1-CD2 4.2Å; L483-Y538 HydrophobicContact CD1-CE2 3.82Å
484	M	94.4	Very high	91.4	Very high	15 Å²	15	61.6 Å²	61.6	7%	0.074	34%	0.343	C	S	.	.	H	α-helix	trans	-73.8	-44.7	176.2	-164.7	66.1	-117.7	0	0	111.2	S480 K481 T482 E486 F487 N488 L502 V504 Y534	S480-M484 WeakPolarHBondContact O-CB 3.3Å; S480-M484 PolarHBondContact O-N 2.69Å; K481-M484 WeakPolarHBondContact O-CA 3.37Å; K481-M484 VanDerWaalsContact O-CB 3.31Å; K481-M484 WeakPolarHBondContact O-CB 3.37Å; K481-M484 PolarHBondContact O-N 3.05Å; T482-M484 VanDerWaalsContact C-N 3.25Å; T482-M484 PolarHBondContact O-N 3.16Å; M484-E486 VanDerWaalsContact C-N 3.35Å; M484-E486 PolarHBondContact O-N 3.1Å; M484-F487 HydrophobicContact CE-CB 4.36Å; M484-F487 HydrophobicContact CE-CD1 3.53Å; M484-F487 HydrophobicContact CE-CE1 4.29Å; M484-F487 HydrophobicContact CE-CG 4.39Å; M484-F487 PolarHBondContact O-N 3.3Å; M484-N488 WeakPolarHBondContact CE-OD1 3.45Å; M484-N488 VanDerWaalsContact O-CG 3.23Å; M484-N488 PolarHBondContact O-N 3.19Å; M484-N488 PolarHBondContact O-ND2 3.26Å; M484-L502 WeakPolarHBondContact CE-O 3.45Å; M484-V504 PolarHBondContact SD-N 3.11Å; M484-V504 VanDerWaalsContact SD-N 3.35Å; M484-Y534 HydrophobicContact SD-CE2 4.39Å
485	D	94.1	Very high	90.3	Very high	79 Å²	79	67.3 Å²	67.3	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-44.4	175.1	-62	-32.2	0	0	0	110.7	K481 T482 N488 I489	K481-D485 VanDerWaalsContact O-CG 3.31Å; K481-D485 PolarHBondContact O-N 2.94Å; T482-D485 PolarHBondContact O-N 2.66Å; D485-N488 PolarHBondContact O-N 3.36Å; D485-I489 WeakPolarHBondContact O-CG1 3.45Å; D485-I489 PolarHBondContact O-N 3.48Å
486	E	94.1	Very high	89.3	Confident	69 Å²	69	68 Å²	68	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-62.6	-40.2	173.6	-72.9	178.3	162.3	0	0	113.6	T482 M484 I489 V490 F537 K541	T482-E486 WeakPolarHBondContact O-CB 3.34Å; T482-E486 VanDerWaalsContact O-CG 3.27Å; T482-E486 WeakPolarHBondContact O-CG 3.38Å; T482-E486 PolarHBondContact O-N 3.48Å; M484-E486 VanDerWaalsContact C-N 3.35Å; M484-E486 PolarHBondContact O-N 3.1Å; E486-I489 PolarHBondContact O-N 2.95Å; E486-V490 WeakPolarHBondContact O-CG2 3.26Å; E486-V490 PolarHBondContact O-N 2.79Å; E486-F537 HydrophobicContact CB-CZ 3.94Å; E486-K541 IonicContact OE1-NZ 3.93Å; E486-K541 IonicContact OE2-NZ 2.98Å; E486-K541 PolarHBondContact OE2-NZ 3.38Å
487	F	93.7	Very high	88.6	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.013	40%	0.401	C	S	.	.	H	α-helix	trans	-65.2	-41	177.7	179	-109.7	0	0	0	111.6	L483 M484 I489 V490 L491 L498 L502 V533 Y534 F537	L483-F487 WeakPolarHBondContact O-CB 3.48Å; L483-F487 PolarHBondContact O-N 2.69Å; M484-F487 HydrophobicContact CE-CB 4.36Å; M484-F487 HydrophobicContact CE-CD1 3.53Å; M484-F487 HydrophobicContact CE-CE1 4.29Å; M484-F487 HydrophobicContact CE-CG 4.39Å; M484-F487 PolarHBondContact O-N 3.3Å; F487-I489 VanDerWaalsContact C-N 3.32Å; F487-I489 PolarHBondContact O-N 2.96Å; F487-V490 PolarHBondContact O-N 3.23Å; F487-V490 VanDerWaalsContact O-N 3.08Å; F487-L491 HydrophobicContact CD1-CD1 3.88Å; F487-L491 HydrophobicContact CD1-CG 4.18Å; F487-L491 HydrophobicContact CE1-CD1 3.48Å; F487-L491 VanDerWaalsContact CE1-CD1 3.48Å; F487-L491 HydrophobicContact CE1-CD2 4.28Å; F487-L491 HydrophobicContact CE1-CG 3.91Å; F487-L491 HydrophobicContact CE2-CD2 4.35Å; F487-L491 HydrophobicContact CE2-CG 4.44Å; F487-L491 HydrophobicContact CZ-CD1 4.03Å; F487-L491 HydrophobicContact CZ-CD2 3.96Å; F487-L491 HydrophobicContact CZ-CG 4.06Å; F487-L491 PolarHBondContact O-N 3.17Å; F487-L498 HydrophobicContact CE1-CD1 4.2Å; F487-L498 HydrophobicContact CZ-CD1 4.26Å; F487-L502 HydrophobicContact CE1-CD2 4.2Å; F487-V533 HydrophobicContact CE2-CG1 4.1Å; F487-V533 HydrophobicContact CZ-CG1 4.04Å; F487-Y534 HydrophobicContact CB-CD2 4.35Å; F487-Y534 HydrophobicContact CB-CE2 4.24Å; F487-Y534 AromaticContact CD1-CD2 3.84Å; F487-Y534 HydrophobicContact CD1-CD2 3.84Å; F487-Y534 HydrophobicContact CD1-CE2 4.43Å; F487-Y534 AromaticContact CD2-CD2 3.9Å; F487-Y534 HydrophobicContact CD2-CD2 3.9Å; F487-Y534 AromaticContact CE1-CD2 3.94Å; F487-Y534 HydrophobicContact CE1-CD2 3.94Å; F487-Y534 HydrophobicContact CE2-CD2 4.04Å; F487-Y534 AromaticContact CG-CD2 3.77Å; F487-Y534 HydrophobicContact CG-CD2 3.77Å; F487-Y534 HydrophobicContact CG-CE2 4.17Å; F487-Y534 HydrophobicContact CZ-CD2 4.04Å; F487-Y534 HydrophobicContact CZ-CG 4.47Å; F487-F537 HydrophobicContact CB-CD1 4.1Å; F487-F537 HydrophobicContact CB-CE1 3.77Å; F487-F537 HydrophobicContact CB-CE2 4.33Å; F487-F537 HydrophobicContact CB-CZ 3.89Å; F487-F537 HydrophobicContact CD2-CB 3.76Å; F487-F537 AromaticContact CD2-CD1 3.64Å; F487-F537 HydrophobicContact CD2-CD1 3.64Å; F487-F537 AromaticContact CD2-CD2 3.98Å; F487-F537 HydrophobicContact CD2-CD2 3.98Å; F487-F537 HydrophobicContact CD2-CE1 4.19Å; F487-F537 HydrophobicContact CD2-CE2 4.47Å; F487-F537 AromaticContact CD2-CG 3.53Å; F487-F537 HydrophobicContact CD2-CG 3.53Å; F487-F537 HydrophobicContact CE2-CB 3.94Å; F487-F537 HydrophobicContact CE2-CD1 4.5Å; F487-F537 HydrophobicContact CE2-CG 4.23Å; F487-F537 HydrophobicContact CG-CD1 4.27Å; F487-F537 HydrophobicContact CG-CE1 4.43Å; F487-F537 HydrophobicContact CG-CG 4.49Å
488	N	91.2	Very high	88.1	Confident	70 Å²	70	72.9 Å²	72.9	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-39.2	178.2	-69.9	-20.2	0	0	0	111.8	M484 D485 V490 L491 S492	M484-N488 WeakPolarHBondContact CE-OD1 3.45Å; M484-N488 VanDerWaalsContact O-CG 3.23Å; M484-N488 PolarHBondContact O-N 3.19Å; M484-N488 PolarHBondContact O-ND2 3.26Å; D485-N488 PolarHBondContact O-N 3.36Å; N488-V490 VanDerWaalsContact C-N 3.35Å; N488-L491 PolarHBondContact O-N 3.31Å; N488-S492 PolarHBondContact O-N 3.08Å; N488-S492 PolarHBondContact O-OG 3.32Å
489	I	90.7	Very high	87.6	Confident	97 Å²	97	76.4 Å²	76.4	50%	0.497	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-38.3	173.1	-64.9	164.2	0	0	0	111.4	D485 E486 F487 S492 N493	D485-I489 WeakPolarHBondContact O-CG1 3.45Å; D485-I489 PolarHBondContact O-N 3.48Å; E486-I489 PolarHBondContact O-N 2.95Å; F487-I489 VanDerWaalsContact C-N 3.32Å; F487-I489 PolarHBondContact O-N 2.96Å; I489-S492 PolarHBondContact O-OG 3.2Å; I489-N493 VanDerWaalsContact O-CB 3.32Å; I489-N493 WeakPolarHBondContact O-CB 3.3Å; I489-N493 PolarHBondContact O-N 3.14Å; I489-N493 VanDerWaalsContact O-N 3.08Å; I489-N493 PolarHBondContact O-ND2 2.93Å; I489-N493 PolarHBondContact O-OD1 2.88Å
490	V	88.5	Confident	87.3	Confident	76 Å²	76	76 Å²	76	46%	0.461	41%	0.406	S	S	.	.	H	α-helix	trans	-68.6	-36.7	175.8	171.9	0	0	0	0	111.8	E486 F487 N488 G494 F537	E486-V490 WeakPolarHBondContact O-CG2 3.26Å; E486-V490 PolarHBondContact O-N 2.79Å; F487-V490 PolarHBondContact O-N 3.23Å; F487-V490 VanDerWaalsContact O-N 3.08Å; N488-V490 VanDerWaalsContact C-N 3.35Å; V490-G494 PolarHBondContact O-N 2.85Å; V490-F537 HydrophobicContact CG2-CD2 4.31Å; V490-F537 HydrophobicContact CG2-CE2 4.02Å
491	L	87.8	Confident	87.1	Confident	29 Å²	29	83.2 Å²	83.2	15%	0.152	44%	0.444	C	S	.	.	H	α-helix	trans	-65.6	-46.9	174.8	-71.4	-178.6	0	0	0	112.4	F487 N488 G494 N495 R496 L498 V533	F487-L491 HydrophobicContact CD1-CD1 3.88Å; F487-L491 HydrophobicContact CD1-CG 4.18Å; F487-L491 HydrophobicContact CE1-CD1 3.48Å; F487-L491 VanDerWaalsContact CE1-CD1 3.48Å; F487-L491 HydrophobicContact CE1-CD2 4.28Å; F487-L491 HydrophobicContact CE1-CG 3.91Å; F487-L491 HydrophobicContact CE2-CD2 4.35Å; F487-L491 HydrophobicContact CE2-CG 4.44Å; F487-L491 HydrophobicContact CZ-CD1 4.03Å; F487-L491 HydrophobicContact CZ-CD2 3.96Å; F487-L491 HydrophobicContact CZ-CG 4.06Å; F487-L491 PolarHBondContact O-N 3.17Å; N488-L491 PolarHBondContact O-N 3.31Å; L491-G494 PolarHBondContact O-N 3.06Å; L491-N495 PolarHBondContact O-N 3.39Å; L491-N495 VanDerWaalsContact O-N 3.15Å; L491-R496 HydrophobicContact CD2-CB 4.12Å; L491-R496 PolarHBondContact O-N 3.29Å; L491-L498 HydrophobicContact CD1-CD1 3.73Å; L491-L498 HydrophobicContact CD1-CG 4.24Å; L491-L498 HydrophobicContact CD2-CD1 4.14Å; L491-L498 HydrophobicContact CD2-CD2 4.33Å; L491-L498 HydrophobicContact CD2-CG 4.15Å; L491-V533 HydrophobicContact CD2-CG1 4.32Å
492	S	85.6	Confident	87.1	Confident	79 Å²	79	77.8 Å²	77.8	55%	0.552	42%	0.422	S	S	*	.	H	α-helix	trans	-62.1	-44.8	179	60.5	0	0	0	0	111.5	N488 I489 N495	N488-S492 PolarHBondContact O-N 3.08Å; N488-S492 PolarHBondContact O-OG 3.32Å; I489-S492 PolarHBondContact O-OG 3.2Å; S492-N495 PolarHBondContact O-N 3.35Å
493	N	85.5	Confident	86.8	Confident	131 Å²	131	78 Å²	78	70%	0.701	43%	0.425	S	S	*	.	H	α-helix	trans	-73.2	-30.4	-177.7	-63.7	-0.3	0	0	0	112.3	I489 N495	I489-N493 VanDerWaalsContact O-CB 3.32Å; I489-N493 WeakPolarHBondContact O-CB 3.3Å; I489-N493 PolarHBondContact O-N 3.14Å; I489-N493 VanDerWaalsContact O-N 3.08Å; I489-N493 PolarHBondContact O-ND2 2.93Å; I489-N493 PolarHBondContact O-OD1 2.88Å; N493-N495 VanDerWaalsContact C-N 3.31Å
494	G	78	Confident	86.7	Confident	45 Å²	45	78.4 Å²	78.4	46%	0.464	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.2	175.1	0	0	0	0	0	114.8	V490 L491 R496	V490-G494 PolarHBondContact O-N 2.85Å; L491-G494 PolarHBondContact O-N 3.06Å; G494-R496 PolarHBondContact O-N 3.1Å
495	N	70.5	Confident	86.5	Confident	152 Å²	152	81.5 Å²	81.5	81%	0.813	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	36	-172.2	-158	18.1	0	0	0	113.5	L491 S492 N493	L491-N495 PolarHBondContact O-N 3.39Å; L491-N495 VanDerWaalsContact O-N 3.15Å; S492-N495 PolarHBondContact O-N 3.35Å; N493-N495 VanDerWaalsContact C-N 3.31Å
496	R	73.4	Confident	86.5	Confident	166 Å²	166	79.1 Å²	79.1	63%	0.626	43%	0.427	S	S	*	.			trans	-96.3	94.5	-175.9	-73.3	-173.2	177.7	-174.9	-1.4	110.9	L491 G494 L498	L491-R496 HydrophobicContact CD2-CB 4.12Å; L491-R496 PolarHBondContact O-N 3.29Å; G494-R496 PolarHBondContact O-N 3.1Å; R496-L498 PolarHBondContact O-N 3.44Å
497	N	78.4	Confident	86.4	Confident	127 Å²	127	77.9 Å²	77.9	68%	0.679	42%	0.422	S	S	*	.			trans	-71.1	125.8	169.9	-174.2	7.1	0	0	0	110.6	N499	N497-N499 PolarHBondContact ND2-OD1 2.82Å; N497-N499 PolarHBondContact OD1-N 2.98Å
498	L	80.2	Confident	86.4	Confident	24 Å²	24	80.9 Å²	80.9	13%	0.126	44%	0.441	C	S	.	.			trans	-91.8	-3.7	176	-62.4	-177	0	0	0	113.4	F487 L491 R496 L500 L502 A530 V533	F487-L498 HydrophobicContact CE1-CD1 4.2Å; F487-L498 HydrophobicContact CZ-CD1 4.26Å; L491-L498 HydrophobicContact CD1-CD1 3.73Å; L491-L498 HydrophobicContact CD1-CG 4.24Å; L491-L498 HydrophobicContact CD2-CD1 4.14Å; L491-L498 HydrophobicContact CD2-CD2 4.33Å; L491-L498 HydrophobicContact CD2-CG 4.15Å; R496-L498 PolarHBondContact O-N 3.44Å; L498-L500 PolarHBondContact O-N 3.4Å; L498-L502 HydrophobicContact CD1-CB 4.5Å; L498-L502 HydrophobicContact CD1-CD2 4.49Å; L498-A530 HydrophobicContact CB-CB 4.41Å; L498-A530 HydrophobicContact CD1-CB 4.14Å; L498-V533 HydrophobicContact CD2-CB 4.16Å; L498-V533 HydrophobicContact CD2-CG1 4.22Å; L498-V533 HydrophobicContact CD2-CG2 4.07Å
499	N	82	Confident	86.2	Confident	134 Å²	134	83 Å²	83	72%	0.717	46%	0.457	S	S	*	.	S	Bend	trans	59.4	6.2	-172	-59.9	-34.3	0	0	0	115.5	N497	N497-N499 PolarHBondContact ND2-OD1 2.82Å; N497-N499 PolarHBondContact OD1-N 2.98Å
500	L	89.1	Confident	85.9	Confident	62 Å²	62	81.3 Å²	81.3	33%	0.325	46%	0.463	S	S	.	.	S	Bend	trans	-148.9	158.5	174	63.4	85.6	0	0	0	110.8	L498 L502 E526 A527 A530	L498-L500 PolarHBondContact O-N 3.4Å; L500-L502 HydrophobicContact CD1-CB 3.77Å; L500-L502 HydrophobicContact CD1-CD1 4.27Å; L500-E526 HydrophobicContact CD2-CB 3.95Å; L500-A527 HydrophobicContact CD2-CB 4.46Å; L500-A530 HydrophobicContact CD1-CB 3.82Å; L500-A530 HydrophobicContact CD2-CB 4.07Å; L500-A530 HydrophobicContact CG-CB 4.14Å
501	D	89.4	Confident	86	Confident	156 Å²	156	79.9 Å²	79.9	83%	0.834	45%	0.452	S	S	*	.			trans	-85.2	125.9	168	-178.9	17.8	0	0	0	109.4
502	L	91.4	Very high	86.1	Confident	30 Å²	30	78.9 Å²	78.9	16%	0.157	45%	0.447	C	S	.	.			trans	-119.2	112.7	-173.6	-177.7	72.4	0	0	0	110.2	M484 F487 L498 L500 V504 A530	M484-L502 WeakPolarHBondContact CE-O 3.45Å; F487-L502 HydrophobicContact CE1-CD2 4.2Å; L498-L502 HydrophobicContact CD1-CB 4.5Å; L498-L502 HydrophobicContact CD1-CD2 4.49Å; L500-L502 HydrophobicContact CD1-CB 3.77Å; L500-L502 HydrophobicContact CD1-CD1 4.27Å; L502-V504 HydrophobicContact CD1-CG2 4.1Å; L502-V504 HydrophobicContact CD2-CG2 3.79Å; L502-V504 HydrophobicContact CG-CG2 3.76Å; L502-A530 HydrophobicContact CD1-CB 4.43Å; L502-A530 HydrophobicContact CD2-CB 4.16Å
503	C	90.7	Very high	85.9	Confident	83 Å²	83	77.6 Å²	77.6	56%	0.561	44%	0.436	S	S	*	.			trans	-106.2	114.1	167.5	-173.1	0	0	0	0	110.2
504	V	91.9	Very high	85.2	Confident	19 Å²	19	73.3 Å²	73.3	12%	0.115	42%	0.415	C	S	.	.			trans	-107.4	139.6	174.8	-170.4	0	0	0	0	110.1	M484 L502 V506 Y534	M484-V504 PolarHBondContact SD-N 3.11Å; M484-V504 VanDerWaalsContact SD-N 3.35Å; L502-V504 HydrophobicContact CD1-CG2 4.1Å; L502-V504 HydrophobicContact CD2-CG2 3.79Å; L502-V504 HydrophobicContact CG-CG2 3.76Å; V504-V506 HydrophobicContact CG1-CG2 4.41Å; V504-Y534 HydrophobicContact CB-CD1 4Å; V504-Y534 HydrophobicContact CB-CD2 4.12Å; V504-Y534 HydrophobicContact CB-CE1 3.77Å; V504-Y534 HydrophobicContact CB-CE2 3.9Å; V504-Y534 HydrophobicContact CB-CG 4.18Å; V504-Y534 HydrophobicContact CG1-CD1 3.84Å; V504-Y534 HydrophobicContact CG1-CE1 3.51Å; V504-Y534 HydrophobicContact CG1-CG 4.49Å; V504-Y534 HydrophobicContact CG2-CD1 3.85Å; V504-Y534 HydrophobicContact CG2-CD2 3.83Å; V504-Y534 HydrophobicContact CG2-CE1 4.16Å; V504-Y534 HydrophobicContact CG2-CE2 4.14Å; V504-Y534 HydrophobicContact CG2-CG 3.68Å
505	R	91	Very high	84.7	Confident	81 Å²	81	76.2 Å²	76.2	31%	0.306	42%	0.416	S	S	.	.			trans	-122.9	126.4	171.6	-60.4	177.8	-174.4	149.5	-12.7	108.7	L441 S443 M477 L507	L441-R505 PolarHBondContact O-NH1 2.84Å; S443-R505 PolarHBondContact OG-NH2 2.63Å; M477-R505 HydrophobicContact CE-CB 4.1Å; R505-L507 HydrophobicContact CB-CD2 4.38Å
506	V	92.8	Very high	84.3	Confident	28 Å²	28	73.2 Å²	73.2	17%	0.17	40%	0.404	C	S	.	.			trans	-103.2	120.6	-175.6	-176.7	0	0	0	0	108.8	S480 V504 Y534 Y538	S480-V506 PolarHBondContact OG-N 3.22Å; S480-V506 PolarHBondContact OG-O 2.94Å; S480-V506 VanDerWaalsContact OG-O 3.13Å; V504-V506 HydrophobicContact CG1-CG2 4.41Å; V506-Y534 HydrophobicContact CG2-CE1 4.09Å; V506-Y538 HydrophobicContact CB-CE2 4.14Å; V506-Y538 HydrophobicContact CG1-CE2 3.72Å; V506-Y538 HydrophobicContact CG2-CD2 3.95Å; V506-Y538 HydrophobicContact CG2-CE2 3.81Å
507	L	92.3	Very high	83.9	Confident	44 Å²	44	67.2 Å²	67.2	23%	0.23	39%	0.385	C	S	.	.			trans	-112	132.6	-171.3	-46.8	-175.6	0	0	0	110	L441 M477 R505 T509 W512 M553	L441-L507 HydrophobicContact CD1-CD1 4.35Å; L441-L507 HydrophobicContact CD2-CD1 4.07Å; L441-L507 HydrophobicContact CD2-CD2 4.05Å; M477-L507 HydrophobicContact CE-CD2 3.33Å; R505-L507 HydrophobicContact CB-CD2 4.38Å; L507-T509 PolarHBondContact O-N 3.02Å; L507-W512 HydrophobicContact CB-CD2 4.33Å; L507-W512 HydrophobicContact CB-CG 4.05Å; L507-W512 HydrophobicContact CD1-CD2 4.09Å; L507-W512 HydrophobicContact CD1-CE3 4.27Å; L507-W512 HydrophobicContact CD1-CG 4.33Å; L507-W512 HydrophobicContact CD2-CD2 4.28Å; L507-W512 HydrophobicContact CD2-CH2 4.32Å; L507-W512 HydrophobicContact CD2-CZ2 3.84Å; L507-W512 HydrophobicContact CG-CD2 4.46Å; L507-M553 HydrophobicContact CD1-CE 3.81Å
508	T	93.1	Very high	83.3	Confident	65 Å²	65	67.7 Å²	67.7	40%	0.399	39%	0.388	S	S	.	.			trans	-77	118.7	179.1	-62.4	0	0	0	0	110.2	D476 G510 L511	D476-T508 PolarHBondContact OD1-OG1 3.4Å; D476-T508 VanDerWaalsContact OD2-CB 3.27Å; D476-T508 WeakPolarHBondContact OD2-CB 3.26Å; D476-T508 PolarHBondContact OD2-N 2.99Å; D476-T508 PolarHBondContact OD2-OG1 3.38Å; T508-G510 PolarHBondContact O-N 2.9Å; T508-L511 HydrophobicContact CG2-CD1 3.9Å; T508-L511 HydrophobicContact CG2-CG 3.97Å; T508-L511 PolarHBondContact O-N 2.99Å
509	T	87.8	Confident	82.7	Confident	115 Å²	115	68.3 Å²	68.3	71%	0.706	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	131.6	-180	-57.3	0	0	0	0	110.6	L507 V516	L507-T509 PolarHBondContact O-N 3.02Å; T509-V516 HydrophobicContact CG2-CG2 4.48Å
510	G	85	Confident	82.5	Confident	61 Å²	61	67.8 Å²	67.8	63%	0.629	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-20.2	-178.8	0	0	0	0	0	115.3	T508	T508-G510 PolarHBondContact O-N 2.9Å
511	L	89	Confident	82.2	Confident	46 Å²	46	65.7 Å²	65.7	24%	0.241	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-45.9	168.2	-53.8	-174	0	0	0	110.6	T508	T508-L511 HydrophobicContact CG2-CD1 3.9Å; T508-L511 HydrophobicContact CG2-CG 3.97Å; T508-L511 PolarHBondContact O-N 2.99Å
512	W	90	Very high	82	Confident	9 Å²	9	60.1 Å²	60.1	3%	0.034	36%	0.356	C	S	.	.	S	Bend	trans	-82.5	149	-177.3	-66	77.8	0	0	0	112.5	A437 L440 L441 M473 D476 M477 L507 T514	A437-W512 HydrophobicContact CB-CE3 3.85Å; A437-W512 HydrophobicContact CB-CZ3 3.98Å; L440-W512 HydrophobicContact CB-CH2 4.18Å; L440-W512 HydrophobicContact CB-CZ3 4.48Å; L440-W512 HydrophobicContact CD1-CH2 3.8Å; L440-W512 HydrophobicContact CD1-CZ3 4.39Å; L441-W512 HydrophobicContact CD1-CE3 4.01Å; L441-W512 HydrophobicContact CD1-CZ3 3.76Å; L441-W512 HydrophobicContact CD2-CH2 4.13Å; L441-W512 HydrophobicContact CD2-CZ3 3.93Å; L441-W512 HydrophobicContact CG-CE3 4.38Å; L441-W512 HydrophobicContact CG-CH2 4.24Å; L441-W512 HydrophobicContact CG-CZ3 3.65Å; M473-W512 HydrophobicContact CB-CD2 4.43Å; M473-W512 HydrophobicContact CB-CH2 4.01Å; M473-W512 HydrophobicContact CB-CZ2 3.6Å; M473-W512 HydrophobicContact CE-CD2 4.35Å; M473-W512 HydrophobicContact CE-CE3 3.86Å; M473-W512 HydrophobicContact CE-CH2 4.23Å; M473-W512 HydrophobicContact CE-CZ3 3.8Å; M473-W512 HydrophobicContact CG-CD2 3.81Å; M473-W512 HydrophobicContact CG-CE3 4.27Å; M473-W512 HydrophobicContact CG-CG 4.17Å; M473-W512 HydrophobicContact CG-CH2 4.37Å; M473-W512 HydrophobicContact CG-CZ2 3.91Å; M473-W512 WeakPolarHBondContact O-CZ2 3.24Å; D476-W512 HydrophobicContact CB-CZ2 4.17Å; D476-W512 PolarHBondContact OD2-NE1 3.42Å; M477-W512 HydrophobicContact CE-CH2 3.79Å; M477-W512 HydrophobicContact CE-CZ2 3.74Å; M477-W512 HydrophobicContact CG-CH2 4.05Å; M477-W512 HydrophobicContact CG-CZ2 4.2Å; M477-W512 HydrophobicContact SD-CH2 4.05Å; M477-W512 HydrophobicContact SD-CZ2 4.45Å; L507-W512 HydrophobicContact CB-CD2 4.33Å; L507-W512 HydrophobicContact CB-CG 4.05Å; L507-W512 HydrophobicContact CD1-CD2 4.09Å; L507-W512 HydrophobicContact CD1-CE3 4.27Å; L507-W512 HydrophobicContact CD1-CG 4.33Å; L507-W512 HydrophobicContact CD2-CD2 4.28Å; L507-W512 HydrophobicContact CD2-CH2 4.32Å; L507-W512 HydrophobicContact CD2-CZ2 3.84Å; L507-W512 HydrophobicContact CG-CD2 4.46Å; W512-T514 HydrophobicContact CB-CG2 4.08Å; W512-T514 PolarHBondContact O-N 3.14Å
513	P	82.4	Confident	81.9	Confident	51 Å²	51	60.7 Å²	60.7	33%	0.331	36%	0.359	S	S	.	.			trans	-80.7	48	178.5	35.2	-35.5	0	0	0	111.8	K433 A437	K433-P513 HydrophobicContact CG-CB 4.43Å; K433-P513 HydrophobicContact CG-CG 4.26Å; A437-P513 HydrophobicContact CB-CG 3.53Å
514	T	71.8	Confident	81.9	Confident	42 Å²	42	57.6 Å²	57.6	26%	0.258	34%	0.337	S	S	.	.			trans	-99.6	144.5	-177.4	49.9	0	0	0	0	111.3	W512 M553	W512-T514 HydrophobicContact CB-CG2 4.08Å; W512-T514 PolarHBondContact O-N 3.14Å; T514-M553 HydrophobicContact CG2-CE 3.52Å; T514-M553 HydrophobicContact CG2-SD 3.52Å; T514-M553 VanDerWaalsContact CG2-SD 3.52Å
515	Q	66	Low	81.8	Confident	105 Å²	105	63.5 Å²	63.5	49%	0.491	36%	0.364	S	S	.	.			trans	-90.5	137.5	163.3	-63.5	-174.3	13.1	0	0	108.1	T517 Q550 E737	Q515-T517 PolarHBondContact O-N 2.71Å; Q515-Q550 PolarHBondContact O-OE1 3.38Å; Q515-E737 PolarHBondContact NE2-OE1 3.12Å; Q515-E737 PolarHBondContact NE2-OE2 3.46Å; Q515-E737 VanDerWaalsContact NE2-OE2 3.12Å
516	V	63.1	Low	81.7	Confident	90 Å²	90	64.2 Å²	64.2	55%	0.545	37%	0.371	S	S	.	.			trans	-75.3	93.6	175.2	-177.5	0	0	0	0	109	T509	T509-V516 HydrophobicContact CG2-CG2 4.48Å
517	T	64.8	Low	81.6	Confident	39 Å²	39	63.8 Å²	63.8	24%	0.239	37%	0.37	C	S	.	.			trans	-77.8	135.2	169.7	55.5	0	0	0	0	110.5	Q515 S519 Q550	Q515-T517 PolarHBondContact O-N 2.71Å; T517-S519 PolarHBondContact O-N 3.24Å; T517-S519 VanDerWaalsContact O-N 3.12Å; T517-Q550 PolarHBondContact O-NE2 2.81Å; T517-Q550 PolarHBondContact OG1-NE2 3.42Å
518	N	65	Low	81.5	Confident	137 Å²	137	64.1 Å²	64.1	73%	0.733	37%	0.372	S	S	*	.			trans	-78.6	90.8	165.5	-75.8	-23.3	0	0	0	108.2	N520	N518-N520 PolarHBondContact O-N 3.07Å
519	S	67.5	Low	81.4	Confident	38 Å²	38	64.2 Å²	64.2	27%	0.266	37%	0.373	S	S	.	.			trans	-67.5	94.8	-179.4	58.9	0	0	0	0	111.3	T517 E521 L549	T517-S519 PolarHBondContact O-N 3.24Å; T517-S519 VanDerWaalsContact O-N 3.12Å; S519-E521 VanDerWaalsContact CA-OE2 3.23Å; S519-E521 WeakPolarHBondContact CA-OE2 3.45Å; S519-E521 WeakPolarHBondContact CB-OE2 3.26Å; S519-L549 PolarHBondContact OG-O 2.91Å
520	N	77.5	Confident	81.6	Confident	122 Å²	122	58.8 Å²	58.8	65%	0.652	34%	0.34	S	S	*	.			trans	-102.5	14.2	174.6	-73.1	-2.6	0	0	0	112.1	N518 N670	N518-N520 PolarHBondContact O-N 3.07Å; N520-N670 VanDerWaalsContact O-CB 3.28Å; N520-N670 WeakPolarHBondContact O-CB 3.28Å; N520-N670 PolarHBondContact O-ND2 3.29Å; N520-N670 VanDerWaalsContact O-ND2 3.09Å
521	E	83.2	Confident	81.9	Confident	19 Å²	19	57.1 Å²	57.1	9%	0.089	32%	0.315	C	S	.	.			trans	-69.3	141.1	-176.1	-54.3	86.2	-175.4	0	0	112.4	S519 L523 T551 Y646 I649 T669 I671	S519-E521 VanDerWaalsContact CA-OE2 3.23Å; S519-E521 WeakPolarHBondContact CA-OE2 3.45Å; S519-E521 WeakPolarHBondContact CB-OE2 3.26Å; E521-L523 VanDerWaalsContact C-N 3.33Å; E521-L523 PolarHBondContact O-N 3.39Å; E521-T551 PolarHBondContact OE1-OG1 2.82Å; E521-T551 WeakPolarHBondContact OE2-CB 3.45Å; E521-T551 WeakPolarHBondContact OE2-CG2 3.47Å; E521-T551 PolarHBondContact OE2-OG1 3.48Å; E521-Y646 HydrophobicContact CG-CD1 4.43Å; E521-Y646 HydrophobicContact CG-CE1 3.84Å; E521-Y646 PolarHBondContact OE1-OH 2.68Å; E521-I649 HydrophobicContact CB-CD1 3.94Å; E521-T669 WeakPolarHBondContact CA-O 3.4Å; E521-I671 HydrophobicContact CB-CG1 4.48Å; E521-I671 HydrophobicContact CG-CG1 4.11Å
522	A	86.6	Confident	82	Confident	39 Å²	39	60 Å²	60	32%	0.322	33%	0.326	S	S	.	.			trans	-76	81.2	-178.1	0	0	0	0	0	111.5	I649 T669	A522-I649 WeakPolarHBondContact O-CG2 3.42Å; A522-T669 PolarHBondContact N-O 2.97Å
523	L	89.5	Confident	82.1	Confident	42 Å²	42	61.2 Å²	61.2	22%	0.22	33%	0.334	C	S	.	.			trans	-58.7	149.4	173.2	-74.5	168.5	0	0	0	112.1	E521 D528 L549 T551 T645 M648 I649	E521-L523 VanDerWaalsContact C-N 3.33Å; E521-L523 PolarHBondContact O-N 3.39Å; L523-D528 HydrophobicContact CB-CB 4.19Å; L523-L549 HydrophobicContact CD1-CD2 3.73Å; L523-T551 HydrophobicContact CD2-CG2 4.44Å; L523-T645 HydrophobicContact CD2-CG2 3.94Å; L523-M648 HydrophobicContact CD2-CE 4.23Å; L523-I649 HydrophobicContact CD2-CD1 4.05Å; L523-I649 HydrophobicContact CD2-CG1 4.33Å
524	P	90	Very high	82.7	Confident	17 Å²	17	58.8 Å²	58.8	11%	0.11	32%	0.318	C	S	.	.			trans	-55.6	145.6	164.7	-23.2	34.4	0	0	0	111.6	E526 A527 D528 M648 M652	P524-E526 VanDerWaalsContact C-N 3.27Å; P524-E526 WeakPolarHBondContact CB-OE2 3.27Å; P524-E526 PolarHBondContact O-N 3.28Å; P524-A527 HydrophobicContact CB-CB 4.31Å; P524-A527 PolarHBondContact O-N 2.84Å; P524-A527 VanDerWaalsContact O-N 3.07Å; P524-D528 PolarHBondContact O-N 3.48Å; P524-M648 HydrophobicContact CG-CE 4.09Å; P524-M648 HydrophobicContact CG-CG 4.41Å; P524-M648 HydrophobicContact CG-SD 4.41Å; P524-M652 HydrophobicContact CB-CE 4.43Å; P524-M652 HydrophobicContact CG-CB 4.27Å; P524-M652 HydrophobicContact CG-CG 3.94Å
525	E	88.9	Confident	83.6	Confident	143 Å²	143	60.5 Å²	60.5	67%	0.668	32%	0.322	S	S	*	.	H	α-helix	trans	-61.1	-36.5	-172.9	-174.4	174.4	164.4	0	0	112.2	T529	E525-T529 WeakPolarHBondContact O-CB 3.31Å; E525-T529 PolarHBondContact O-N 3.24Å; E525-T529 PolarHBondContact O-OG1 3.07Å
526	E	89.7	Confident	84.9	Confident	96 Å²	96	60.8 Å²	60.8	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-42.8	176.5	-48.3	86.6	163.1	0	0	110.9	L500 P524 A530	L500-E526 HydrophobicContact CD2-CB 3.95Å; P524-E526 VanDerWaalsContact C-N 3.27Å; P524-E526 WeakPolarHBondContact CB-OE2 3.27Å; P524-E526 PolarHBondContact O-N 3.28Å; E526-A530 VanDerWaalsContact O-CB 3.28Å; E526-A530 WeakPolarHBondContact O-CB 3.22Å; E526-A530 PolarHBondContact O-N 3.5Å
527	A	91.1	Very high	86.3	Confident	20 Å²	20	57.3 Å²	57.3	17%	0.165	31%	0.305	C	S	.	.	H	α-helix	trans	-71.2	-42.1	-178.9	0	0	0	0	0	112.5	L500 P524 F531	L500-A527 HydrophobicContact CD2-CB 4.46Å; P524-A527 HydrophobicContact CB-CB 4.31Å; P524-A527 PolarHBondContact O-N 2.84Å; P524-A527 VanDerWaalsContact O-N 3.07Å; A527-F531 WeakPolarHBondContact O-CB 3.33Å; A527-F531 PolarHBondContact O-N 3.33Å
528	D	90.1	Very high	87.8	Confident	50 Å²	50	55.9 Å²	55.9	27%	0.267	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-41.9	173.4	172.3	52	0	0	0	111.4	L523 P524 F531 K532	L523-D528 HydrophobicContact CB-CB 4.19Å; P524-D528 PolarHBondContact O-N 3.48Å; D528-F531 PolarHBondContact O-N 2.92Å; D528-K532 WeakPolarHBondContact O-CB 3.35Å; D528-K532 VanDerWaalsContact O-CG 3.28Å; D528-K532 WeakPolarHBondContact O-CG 3.28Å; D528-K532 PolarHBondContact O-N 2.88Å; D528-K532 VanDerWaalsContact OD1-CE 3.25Å; D528-K532 WeakPolarHBondContact OD1-CE 3.44Å; D528-K532 IonicContact OD1-NZ 3.94Å; D528-K532 WeakPolarHBondContact OD2-CE 3.33Å; D528-K532 IonicContact OD2-NZ 3.55Å; D528-K532 PolarHBondContact OD2-NZ 3.06Å
529	T	91.1	Very high	89.1	Confident	68 Å²	68	52 Å²	52	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-46.9	174.4	-61.7	0	0	0	0	111.8	E525 F531 K532 V533	E525-T529 WeakPolarHBondContact O-CB 3.31Å; E525-T529 PolarHBondContact O-N 3.24Å; E525-T529 PolarHBondContact O-OG1 3.07Å; T529-F531 PolarHBondContact O-N 3.4Å; T529-K532 WeakPolarHBondContact O-CB 3.28Å; T529-K532 PolarHBondContact O-N 3.41Å; T529-V533 WeakPolarHBondContact O-CG2 3.4Å; T529-V533 PolarHBondContact O-N 2.89Å
530	A	91.9	Very high	90.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-43.7	176.1	0	0	0	0	0	112	L498 L500 L502 E526 V533 Y534	L498-A530 HydrophobicContact CB-CB 4.41Å; L498-A530 HydrophobicContact CD1-CB 4.14Å; L500-A530 HydrophobicContact CD1-CB 3.82Å; L500-A530 HydrophobicContact CD2-CB 4.07Å; L500-A530 HydrophobicContact CG-CB 4.14Å; L502-A530 HydrophobicContact CD1-CB 4.43Å; L502-A530 HydrophobicContact CD2-CB 4.16Å; E526-A530 VanDerWaalsContact O-CB 3.28Å; E526-A530 WeakPolarHBondContact O-CB 3.22Å; E526-A530 PolarHBondContact O-N 3.5Å; A530-V533 PolarHBondContact O-N 2.93Å; A530-Y534 PolarHBondContact O-N 3.06Å
531	F	91.2	Very high	91.1	Very high	26 Å²	26	52.9 Å²	52.9	11%	0.114	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-37.7	175.6	-179.5	-113.7	0	0	0	112.8	A527 D528 T529 V533 Y534 K535 I547 L549	A527-F531 WeakPolarHBondContact O-CB 3.33Å; A527-F531 PolarHBondContact O-N 3.33Å; D528-F531 PolarHBondContact O-N 2.92Å; T529-F531 PolarHBondContact O-N 3.4Å; F531-V533 VanDerWaalsContact C-N 3.35Å; F531-V533 PolarHBondContact O-N 2.81Å; F531-Y534 PolarHBondContact O-N 3.06Å; F531-K535 HydrophobicContact CE1-CD 4.37Å; F531-K535 VanDerWaalsContact O-CB 3.23Å; F531-K535 WeakPolarHBondContact O-CB 3.38Å; F531-K535 PolarHBondContact O-N 2.57Å; F531-I547 HydrophobicContact CE2-CD1 4.27Å; F531-I547 HydrophobicContact CZ-CD1 4.09Å; F531-I547 HydrophobicContact CZ-CG1 4.45Å; F531-L549 HydrophobicContact CD1-CD2 4.16Å; F531-L549 HydrophobicContact CD2-CD1 4.18Å; F531-L549 HydrophobicContact CE1-CB 3.97Å; F531-L549 HydrophobicContact CE1-CD2 4.3Å; F531-L549 HydrophobicContact CE2-CB 4.5Å; F531-L549 HydrophobicContact CE2-CD1 3.93Å; F531-L549 HydrophobicContact CG-CD2 4.32Å; F531-L549 HydrophobicContact CZ-CB 3.9Å; F531-L549 HydrophobicContact CZ-CD1 4.19Å; F531-L549 HydrophobicContact CZ-CG 4.45Å
532	K	90.9	Very high	91.5	Very high	106 Å²	106	54.2 Å²	54.2	46%	0.461	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-41.1	172.9	-76.7	163.2	173.2	169.1	0	112	D528 T529 K535 N536	D528-K532 WeakPolarHBondContact O-CB 3.35Å; D528-K532 VanDerWaalsContact O-CG 3.28Å; D528-K532 WeakPolarHBondContact O-CG 3.28Å; D528-K532 PolarHBondContact O-N 2.88Å; D528-K532 VanDerWaalsContact OD1-CE 3.25Å; D528-K532 WeakPolarHBondContact OD1-CE 3.44Å; D528-K532 IonicContact OD1-NZ 3.94Å; D528-K532 WeakPolarHBondContact OD2-CE 3.33Å; D528-K532 IonicContact OD2-NZ 3.55Å; D528-K532 PolarHBondContact OD2-NZ 3.06Å; T529-K532 WeakPolarHBondContact O-CB 3.28Å; T529-K532 PolarHBondContact O-N 3.41Å; K532-K535 PolarHBondContact O-N 2.73Å; K532-N536 VanDerWaalsContact O-CG 3.26Å; K532-N536 PolarHBondContact O-N 3.04Å; K532-N536 VanDerWaalsContact O-N 3.08Å; K532-N536 PolarHBondContact O-ND2 3.48Å
533	V	92.7	Very high	91.7	Very high	34 Å²	34	59.2 Å²	59.2	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-46.6	175.3	176.8	0	0	0	0	111.1	F487 L491 L498 T529 A530 F531 K535 N536 F537	F487-V533 HydrophobicContact CE2-CG1 4.1Å; F487-V533 HydrophobicContact CZ-CG1 4.04Å; L491-V533 HydrophobicContact CD2-CG1 4.32Å; L498-V533 HydrophobicContact CD2-CB 4.16Å; L498-V533 HydrophobicContact CD2-CG1 4.22Å; L498-V533 HydrophobicContact CD2-CG2 4.07Å; T529-V533 WeakPolarHBondContact O-CG2 3.4Å; T529-V533 PolarHBondContact O-N 2.89Å; A530-V533 PolarHBondContact O-N 2.93Å; F531-V533 VanDerWaalsContact C-N 3.35Å; F531-V533 PolarHBondContact O-N 2.81Å; V533-K535 PolarHBondContact O-N 3.38Å; V533-N536 PolarHBondContact O-N 3.3Å; V533-F537 PolarHBondContact O-N 3.49Å
534	Y	93.3	Very high	91.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-42.8	175.4	-176.4	-87.3	0	0	0	112.5	M484 F487 V504 V506 A530 F531 N536 F537 Y538	M484-Y534 HydrophobicContact SD-CE2 4.39Å; F487-Y534 HydrophobicContact CB-CD2 4.35Å; F487-Y534 HydrophobicContact CB-CE2 4.24Å; F487-Y534 AromaticContact CD1-CD2 3.84Å; F487-Y534 HydrophobicContact CD1-CD2 3.84Å; F487-Y534 HydrophobicContact CD1-CE2 4.43Å; F487-Y534 AromaticContact CD2-CD2 3.9Å; F487-Y534 HydrophobicContact CD2-CD2 3.9Å; F487-Y534 AromaticContact CE1-CD2 3.94Å; F487-Y534 HydrophobicContact CE1-CD2 3.94Å; F487-Y534 HydrophobicContact CE2-CD2 4.04Å; F487-Y534 AromaticContact CG-CD2 3.77Å; F487-Y534 HydrophobicContact CG-CD2 3.77Å; F487-Y534 HydrophobicContact CG-CE2 4.17Å; F487-Y534 HydrophobicContact CZ-CD2 4.04Å; F487-Y534 HydrophobicContact CZ-CG 4.47Å; V504-Y534 HydrophobicContact CB-CD1 4Å; V504-Y534 HydrophobicContact CB-CD2 4.12Å; V504-Y534 HydrophobicContact CB-CE1 3.77Å; V504-Y534 HydrophobicContact CB-CE2 3.9Å; V504-Y534 HydrophobicContact CB-CG 4.18Å; V504-Y534 HydrophobicContact CG1-CD1 3.84Å; V504-Y534 HydrophobicContact CG1-CE1 3.51Å; V504-Y534 HydrophobicContact CG1-CG 4.49Å; V504-Y534 HydrophobicContact CG2-CD1 3.85Å; V504-Y534 HydrophobicContact CG2-CD2 3.83Å; V504-Y534 HydrophobicContact CG2-CE1 4.16Å; V504-Y534 HydrophobicContact CG2-CE2 4.14Å; V504-Y534 HydrophobicContact CG2-CG 3.68Å; V506-Y534 HydrophobicContact CG2-CE1 4.09Å; A530-Y534 PolarHBondContact O-N 3.06Å; F531-Y534 PolarHBondContact O-N 3.06Å; Y534-N536 VanDerWaalsContact C-N 3.3Å; Y534-N536 PolarHBondContact O-N 2.71Å; Y534-F537 HydrophobicContact CD2-CD1 4.49Å; Y534-F537 HydrophobicContact CE2-CD1 4.32Å; Y534-F537 HydrophobicContact CE2-CE1 4.46Å; Y534-F537 WeakPolarHBondContact O-CB 3.4Å; Y534-F537 PolarHBondContact O-N 2.9Å; Y534-Y538 HydrophobicContact CE1-CD2 4.39Å; Y534-Y538 PolarHBondContact O-N 2.84Å
535	K	92.6	Very high	91.7	Very high	78 Å²	78	67.7 Å²	67.7	34%	0.339	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-42.3	177.9	177.2	170.1	180	179	0	111.9	F531 K532 V533 Y538 L539 I547	F531-K535 HydrophobicContact CE1-CD 4.37Å; F531-K535 VanDerWaalsContact O-CB 3.23Å; F531-K535 WeakPolarHBondContact O-CB 3.38Å; F531-K535 PolarHBondContact O-N 2.57Å; K532-K535 PolarHBondContact O-N 2.73Å; V533-K535 PolarHBondContact O-N 3.38Å; K535-Y538 PolarHBondContact O-N 3.41Å; K535-L539 HydrophobicContact CG-CD1 3.8Å; K535-L539 HydrophobicContact CG-CG 4.42Å; K535-L539 WeakPolarHBondContact O-CB 3.44Å; K535-L539 VanDerWaalsContact O-CG 3.23Å; K535-L539 WeakPolarHBondContact O-CG 3.2Å; K535-L539 PolarHBondContact O-N 2.94Å; K535-I547 HydrophobicContact CB-CD1 3.96Å; K535-I547 HydrophobicContact CD-CG1 4.33Å; K535-I547 HydrophobicContact CG-CD1 3.87Å; K535-I547 HydrophobicContact CG-CG1 4.04Å
536	N	92.2	Very high	91.8	Very high	111 Å²	111	69.3 Å²	69.3	59%	0.594	37%	0.366	S	S	*	.	H	α-helix	trans	-68.5	-36.5	178.1	-68.2	-12.4	0	0	0	112.3	K532 V533 Y534 S540	K532-N536 VanDerWaalsContact O-CG 3.26Å; K532-N536 PolarHBondContact O-N 3.04Å; K532-N536 VanDerWaalsContact O-N 3.08Å; K532-N536 PolarHBondContact O-ND2 3.48Å; V533-N536 PolarHBondContact O-N 3.3Å; Y534-N536 VanDerWaalsContact C-N 3.3Å; Y534-N536 PolarHBondContact O-N 2.71Å; N536-S540 PolarHBondContact O-N 3.31Å; N536-S540 VanDerWaalsContact O-N 3.14Å; N536-S540 PolarHBondContact O-OG 2.85Å
537	F	93.6	Very high	91.7	Very high	17 Å²	17	65.8 Å²	65.8	8%	0.075	35%	0.35	C	S	.	.	H	α-helix	trans	-64.4	-45.2	170.8	161.6	-91.6	0	0	0	112.5	L483 E486 F487 V490 V533 Y534 L539 S540 K541	L483-F537 WeakPolarHBondContact O-CE1 3.46Å; E486-F537 HydrophobicContact CB-CZ 3.94Å; F487-F537 HydrophobicContact CB-CD1 4.1Å; F487-F537 HydrophobicContact CB-CE1 3.77Å; F487-F537 HydrophobicContact CB-CE2 4.33Å; F487-F537 HydrophobicContact CB-CZ 3.89Å; F487-F537 HydrophobicContact CD2-CB 3.76Å; F487-F537 AromaticContact CD2-CD1 3.64Å; F487-F537 HydrophobicContact CD2-CD1 3.64Å; F487-F537 AromaticContact CD2-CD2 3.98Å; F487-F537 HydrophobicContact CD2-CD2 3.98Å; F487-F537 HydrophobicContact CD2-CE1 4.19Å; F487-F537 HydrophobicContact CD2-CE2 4.47Å; F487-F537 AromaticContact CD2-CG 3.53Å; F487-F537 HydrophobicContact CD2-CG 3.53Å; F487-F537 HydrophobicContact CE2-CB 3.94Å; F487-F537 HydrophobicContact CE2-CD1 4.5Å; F487-F537 HydrophobicContact CE2-CG 4.23Å; F487-F537 HydrophobicContact CG-CD1 4.27Å; F487-F537 HydrophobicContact CG-CE1 4.43Å; F487-F537 HydrophobicContact CG-CG 4.49Å; V490-F537 HydrophobicContact CG2-CD2 4.31Å; V490-F537 HydrophobicContact CG2-CE2 4.02Å; V533-F537 PolarHBondContact O-N 3.49Å; Y534-F537 HydrophobicContact CD2-CD1 4.49Å; Y534-F537 HydrophobicContact CE2-CD1 4.32Å; Y534-F537 HydrophobicContact CE2-CE1 4.46Å; Y534-F537 WeakPolarHBondContact O-CB 3.4Å; Y534-F537 PolarHBondContact O-N 2.9Å; F537-L539 PolarHBondContact O-N 3.12Å; F537-S540 PolarHBondContact O-OG 2.95Å; F537-S540 VanDerWaalsContact O-OG 3.05Å; F537-K541 HydrophobicContact CE2-CD 4.18Å; F537-K541 HydrophobicContact CZ-CD 4.07Å; F537-K541 PolarHBondContact O-N 2.79Å
538	Y	94.8	Very high	91.5	Very high	9 Å²	9	68.7 Å²	68.7	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-44.6	179.7	-175.1	-85.7	0	0	0	111.3	L483 V506 Y534 K535 K541 H542 R545 I547	L483-Y538 HydrophobicContact CD1-CD2 4.2Å; L483-Y538 HydrophobicContact CD1-CE2 3.82Å; V506-Y538 HydrophobicContact CB-CE2 4.14Å; V506-Y538 HydrophobicContact CG1-CE2 3.72Å; V506-Y538 HydrophobicContact CG2-CD2 3.95Å; V506-Y538 HydrophobicContact CG2-CE2 3.81Å; Y534-Y538 HydrophobicContact CE1-CD2 4.39Å; Y534-Y538 PolarHBondContact O-N 2.84Å; K535-Y538 PolarHBondContact O-N 3.41Å; Y538-K541 PolarHBondContact O-N 3.42Å; Y538-H542 HydrophobicContact CD1-CB 4.27Å; Y538-H542 AromaticContact CD2-CD2 3.74Å; Y538-H542 HydrophobicContact CE1-CB 3.81Å; Y538-H542 AromaticContact CE1-CD2 3.77Å; Y538-H542 AromaticContact CE2-CD2 3.34Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.46Å; Y538-H542 AromaticContact CE2-NE2 3.93Å; Y538-H542 AromaticContact CZ-CD2 3.34Å; Y538-H542 AromaticContact CZ-CG 3.97Å; Y538-H542 WeakPolarHBondContact O-CB 3.26Å; Y538-H542 PolarHBondContact O-N 3.19Å; Y538-R545 HydrophobicContact CE1-CB 4.27Å; Y538-R545 PolarHBondContact OH-NH1 3.38Å; Y538-I547 HydrophobicContact CD1-CD1 4.48Å; Y538-I547 HydrophobicContact CD1-CG2 3.53Å; Y538-I547 HydrophobicContact CE1-CG2 3.49Å; Y538-I547 VanDerWaalsContact CE1-CG2 3.49Å; Y538-I547 HydrophobicContact CG-CG2 4.3Å
539	L	94	Very high	91.4	Very high	55 Å²	55	68.7 Å²	68.7	29%	0.288	36%	0.362	S	S	.	.	H	α-helix	trans	-70.5	-31.6	-177.4	-68.4	173.8	0	0	0	113	K535 F537 K541 H542 N543 R545	K535-L539 HydrophobicContact CG-CD1 3.8Å; K535-L539 HydrophobicContact CG-CG 4.42Å; K535-L539 WeakPolarHBondContact O-CB 3.44Å; K535-L539 VanDerWaalsContact O-CG 3.23Å; K535-L539 WeakPolarHBondContact O-CG 3.2Å; K535-L539 PolarHBondContact O-N 2.94Å; F537-L539 PolarHBondContact O-N 3.12Å; L539-K541 VanDerWaalsContact C-N 3.34Å; L539-H542 CarbonylContact O-C 3.43Å; L539-H542 PolarHBondContact O-N 3.42Å; L539-N543 PolarHBondContact O-N 2.86Å; L539-R545 WeakPolarHBondContact CD2-O 3.38Å
540	S	92.8	Very high	91.2	Very high	85 Å²	85	67.3 Å²	67.3	59%	0.594	35%	0.351	S	S	*	.	H	α-helix	trans	-71.3	-27.1	175	67	0	0	0	0	113.4	N536 F537	N536-S540 PolarHBondContact O-N 3.31Å; N536-S540 VanDerWaalsContact O-N 3.14Å; N536-S540 PolarHBondContact O-OG 2.85Å; F537-S540 PolarHBondContact O-OG 2.95Å; F537-S540 VanDerWaalsContact O-OG 3.05Å
541	K	92.4	Very high	90.9	Very high	94 Å²	94	67.5 Å²	67.5	41%	0.409	35%	0.352	S	S	.	.	H	α-helix	trans	-84.4	-26.5	170.2	-69.1	-161.5	174.3	-163.3	0	113.9	E486 F537 Y538 L539	E486-K541 IonicContact OE1-NZ 3.93Å; E486-K541 IonicContact OE2-NZ 2.98Å; E486-K541 PolarHBondContact OE2-NZ 3.38Å; F537-K541 HydrophobicContact CE2-CD 4.18Å; F537-K541 HydrophobicContact CZ-CD 4.07Å; F537-K541 PolarHBondContact O-N 2.79Å; Y538-K541 PolarHBondContact O-N 3.42Å; L539-K541 VanDerWaalsContact C-N 3.34Å
542	H	92.7	Very high	90.3	Very high	48 Å²	48	69.5 Å²	69.5	22%	0.222	36%	0.364	C	S	.	.	S	Bend	trans	-128	66.6	-172.8	-60.4	-54.4	0	0	0	112.8	Y538 L539 R545	Y538-H542 HydrophobicContact CD1-CB 4.27Å; Y538-H542 AromaticContact CD2-CD2 3.74Å; Y538-H542 HydrophobicContact CE1-CB 3.81Å; Y538-H542 AromaticContact CE1-CD2 3.77Å; Y538-H542 AromaticContact CE2-CD2 3.34Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.46Å; Y538-H542 AromaticContact CE2-NE2 3.93Å; Y538-H542 AromaticContact CZ-CD2 3.34Å; Y538-H542 AromaticContact CZ-CG 3.97Å; Y538-H542 WeakPolarHBondContact O-CB 3.26Å; Y538-H542 PolarHBondContact O-N 3.19Å; L539-H542 CarbonylContact O-C 3.43Å; L539-H542 PolarHBondContact O-N 3.42Å; H542-R545 HydrophobicContact CB-CB 4.46Å; H542-R545 HydrophobicContact CB-CG 4.13Å; H542-R545 WeakPolarHBondContact O-CB 3.09Å; H542-R545 PolarHBondContact O-N 3.25Å
543	N	89.5	Confident	89.8	Confident	144 Å²	144	67.5 Å²	67.5	77%	0.77	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	141.9	172.5	-69.5	-34.1	0	0	0	112.3	L539 R545	L539-N543 PolarHBondContact O-N 2.86Å; N543-R545 PolarHBondContact O-N 3.04Å
544	G	89.5	Confident	89.4	Confident	93 Å²	93	67.2 Å²	67.2	96%	0.959	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-4.5	179.5	0	0	0	0	0	115.8
545	R	91.7	Very high	89.2	Confident	143 Å²	143	72.7 Å²	72.7	54%	0.54	38%	0.383	S	S	.	.			trans	-89.1	155.1	174.9	-59.8	-163.2	-177.3	-179.2	-4.8	112.3	Y538 L539 H542 N543	Y538-R545 HydrophobicContact CE1-CB 4.27Å; Y538-R545 PolarHBondContact OH-NH1 3.38Å; L539-R545 WeakPolarHBondContact CD2-O 3.38Å; H542-R545 HydrophobicContact CB-CB 4.46Å; H542-R545 HydrophobicContact CB-CG 4.13Å; H542-R545 WeakPolarHBondContact O-CB 3.09Å; H542-R545 PolarHBondContact O-N 3.25Å; N543-R545 PolarHBondContact O-N 3.04Å
546	K	89.2	Confident	89.2	Confident	177 Å²	177	69.9 Å²	69.9	77%	0.77	37%	0.374	S	S	*	.			trans	-118.3	134.6	166.8	-177.4	179.3	180	-177.5	0	108.6	N548	K546-N548 VanDerWaalsContact CE-OD1 3.29Å; K546-N548 WeakPolarHBondContact CE-OD1 3.43Å
547	I	89.5	Confident	89.2	Confident	23 Å²	23	68.8 Å²	68.8	12%	0.118	37%	0.365	C	S	.	.			trans	-112.3	136.9	169.6	69.7	173.6	0	0	0	110.4	F531 K535 Y538	F531-I547 HydrophobicContact CE2-CD1 4.27Å; F531-I547 HydrophobicContact CZ-CD1 4.09Å; F531-I547 HydrophobicContact CZ-CG1 4.45Å; K535-I547 HydrophobicContact CB-CD1 3.96Å; K535-I547 HydrophobicContact CD-CG1 4.33Å; K535-I547 HydrophobicContact CG-CD1 3.87Å; K535-I547 HydrophobicContact CG-CG1 4.04Å; Y538-I547 HydrophobicContact CD1-CD1 4.48Å; Y538-I547 HydrophobicContact CD1-CG2 3.53Å; Y538-I547 HydrophobicContact CE1-CG2 3.49Å; Y538-I547 VanDerWaalsContact CE1-CG2 3.49Å; Y538-I547 HydrophobicContact CG-CG2 4.3Å
548	N	86.4	Confident	89.3	Confident	81 Å²	81	69.5 Å²	69.5	43%	0.433	37%	0.37	S	S	.	.			trans	-115.5	141.8	170.9	-61.2	-18.7	0	0	0	107.4	K546	K546-N548 VanDerWaalsContact CE-OD1 3.29Å; K546-N548 WeakPolarHBondContact CE-OD1 3.43Å
549	L	88	Confident	89.2	Confident	49 Å²	49	73.1 Å²	73.1	26%	0.257	40%	0.396	S	S	.	.			trans	-79.7	152.9	174.6	-171.9	57.7	0	0	0	110.1	S519 L523 F531 T551	S519-L549 PolarHBondContact OG-O 2.91Å; L523-L549 HydrophobicContact CD1-CD2 3.73Å; F531-L549 HydrophobicContact CD1-CD2 4.16Å; F531-L549 HydrophobicContact CD2-CD1 4.18Å; F531-L549 HydrophobicContact CE1-CB 3.97Å; F531-L549 HydrophobicContact CE1-CD2 4.3Å; F531-L549 HydrophobicContact CE2-CB 4.5Å; F531-L549 HydrophobicContact CE2-CD1 3.93Å; F531-L549 HydrophobicContact CG-CD2 4.32Å; F531-L549 HydrophobicContact CZ-CB 3.9Å; F531-L549 HydrophobicContact CZ-CD1 4.19Å; F531-L549 HydrophobicContact CZ-CG 4.45Å; L549-T551 HydrophobicContact CD2-CG2 4.07Å; L549-T551 HydrophobicContact CG-CG2 4.23Å
550	Q	86.4	Confident	89.2	Confident	40 Å²	40	71.3 Å²	71.3	19%	0.187	39%	0.389	C	S	.	.			trans	-124.7	80.3	176.1	-69.5	-67	-87.5	0	0	109.2	Q515 T517 N552 M553	Q515-Q550 PolarHBondContact O-OE1 3.38Å; T517-Q550 PolarHBondContact O-NE2 2.81Å; T517-Q550 PolarHBondContact OG1-NE2 3.42Å; Q550-N552 VanDerWaalsContact C-N 3.33Å; Q550-N552 PolarHBondContact O-N 2.82Å; Q550-M553 HydrophobicContact CB-CB 4.38Å; Q550-M553 HydrophobicContact CB-CG 4.47Å; Q550-M553 HydrophobicContact CB-SD 3.94Å; Q550-M553 HydrophobicContact CG-SD 4.38Å; Q550-M553 PolarHBondContact O-N 2.82Å
551	T	85.4	Confident	89.2	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.025	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-57.5	-41.1	-176.1	42.3	0	0	0	0	112.3	E521 L523 L549 M553 G554 T645	E521-T551 PolarHBondContact OE1-OG1 2.82Å; E521-T551 WeakPolarHBondContact OE2-CB 3.45Å; E521-T551 WeakPolarHBondContact OE2-CG2 3.47Å; E521-T551 PolarHBondContact OE2-OG1 3.48Å; L523-T551 HydrophobicContact CD2-CG2 4.44Å; L549-T551 HydrophobicContact CD2-CG2 4.07Å; L549-T551 HydrophobicContact CG-CG2 4.23Å; T551-M553 PolarHBondContact O-N 3.09Å; T551-M553 VanDerWaalsContact O-N 3.11Å; T551-G554 PolarHBondContact O-N 3.44Å; T551-T645 HydrophobicContact CG2-CG2 4.32Å; T551-T645 VanDerWaalsContact O-CB 3.28Å; T551-T645 WeakPolarHBondContact O-CB 3.35Å
552	N	79.6	Confident	89.1	Confident	69 Å²	69	65.6 Å²	65.6	37%	0.369	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-54.1	-23.8	171.8	60.8	-16.9	0	0	0	115.6	Q550 Y646	Q550-N552 VanDerWaalsContact C-N 3.33Å; Q550-N552 PolarHBondContact O-N 2.82Å; N552-Y646 HydrophobicContact CB-CE2 3.99Å
553	M	80.5	Confident	88.6	Confident	63 Å²	63	70.5 Å²	70.5	31%	0.31	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-103.1	-6.2	-175	-67.2	166.8	65.2	0	0	113.5	L441 L507 T514 Q550 T551	L441-M553 HydrophobicContact CD1-CE 3.3Å; L507-M553 HydrophobicContact CD1-CE 3.81Å; T514-M553 HydrophobicContact CG2-CE 3.52Å; T514-M553 HydrophobicContact CG2-SD 3.52Å; T514-M553 VanDerWaalsContact CG2-SD 3.52Å; Q550-M553 HydrophobicContact CB-CB 4.38Å; Q550-M553 HydrophobicContact CB-CG 4.47Å; Q550-M553 HydrophobicContact CB-SD 3.94Å; Q550-M553 HydrophobicContact CG-SD 4.38Å; Q550-M553 PolarHBondContact O-N 2.82Å; T551-M553 PolarHBondContact O-N 3.09Å; T551-M553 VanDerWaalsContact O-N 3.11Å
554	G	84.6	Confident	87.9	Confident	28 Å²	28	64 Å²	64	29%	0.289	34%	0.343	S	S	.	.			trans	-85.8	161.3	-179.5	0	0	0	0	0	114.5	T551 T645	T551-G554 PolarHBondContact O-N 3.44Å; G554-T645 VanDerWaalsContact CA-OG1 3.28Å; G554-T645 WeakPolarHBondContact CA-OG1 3.32Å; G554-T645 PolarHBondContact O-N 3.42Å; G554-T645 VanDerWaalsContact O-N 3.08Å; G554-T645 PolarHBondContact O-OG1 3.36Å
555	Y	88.6	Confident	86.8	Confident	116 Å²	116	68.2 Å²	68.2	46%	0.455	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.6	167.7	71.5	-91.3	0	0	0	109.9	Q642 V643	Y555-Q642 HydrophobicContact CD2-CG 4.3Å; Y555-V643 CarbonylContact C-O 3.57Å; Y555-V643 WeakPolarHBondContact CA-O 3.44Å; Y555-V643 VanDerWaalsContact CB-O 3.27Å; Y555-V643 WeakPolarHBondContact CB-O 3.38Å
556	A	91.5	Very high	85.1	Confident	19 Å²	19	66.5 Å²	66.5	16%	0.157	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.5	176	0	0	0	0	0	110.4	L558 Q642 V643 M648	A556-L558 HydrophobicContact CB-CD2 4.31Å; A556-Q642 WeakPolarHBondContact O-CA 3.42Å; A556-V643 HydrophobicContact CB-CG2 4.34Å; A556-V643 PolarHBondContact N-O 3.31Å; A556-V643 PolarHBondContact O-N 3.3Å; A556-M648 HydrophobicContact CB-CB 4.15Å; A556-M648 HydrophobicContact CB-CG 4.28Å; A556-M648 HydrophobicContact CB-SD 3.5Å; A556-M648 VanDerWaalsContact CB-SD 3.5Å
557	E	93.2	Very high	82.8	Confident	87 Å²	87	65.1 Å²	65.1	41%	0.407	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.2	168.8	-60.9	-159	176.1	0	0	109.7	L641 Q642 K720	E557-L641 WeakPolarHBondContact CA-O 3.17Å; E557-Q642 HydrophobicContact CG-CB 4.11Å; E557-Q642 HydrophobicContact CG-CG 4.05Å; E557-K720 WeakPolarHBondContact OE1-CE 3.42Å; E557-K720 IonicContact OE1-NZ 2.72Å; E557-K720 PolarHBondContact OE1-NZ 2.98Å; E557-K720 VanDerWaalsContact OE2-CE 3.23Å; E557-K720 WeakPolarHBondContact OE2-CE 3.31Å; E557-K720 IonicContact OE2-NZ 3.32Å; E557-K720 PolarHBondContact OE2-NZ 3.03Å
558	L	94.2	Very high	80.1	Confident	33 Å²	33	67.4 Å²	67.4	17%	0.173	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.6	-172.1	-54.7	179.3	0	0	0	111.1	A556 A560 F640 L641 V643 M648 L651	A556-L558 HydrophobicContact CB-CD2 4.31Å; L558-A560 PolarHBondContact O-N 3.24Å; L558-F640 CarbonylContact O-C 3.5Å; L558-F640 WeakPolarHBondContact O-CA 3.4Å; L558-L641 HydrophobicContact CB-CB 4.44Å; L558-L641 PolarHBondContact N-O 2.92Å; L558-L641 PolarHBondContact O-N 3.45Å; L558-V643 HydrophobicContact CD1-CG2 3.85Å; L558-V643 HydrophobicContact CG-CG2 4.06Å; L558-M648 HydrophobicContact CD1-CB 4.14Å; L558-M648 HydrophobicContact CD1-CG 4.13Å; L558-M648 HydrophobicContact CD2-CG 3.95Å; L558-M648 HydrophobicContact CD2-SD 4.24Å; L558-L651 HydrophobicContact CD1-CB 4.38Å; L558-L651 HydrophobicContact CD1-CD1 4.26Å
559	S	94.4	Very high	77.5	Confident	84 Å²	84	70.8 Å²	70.8	59%	0.587	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	105.2	168.5	-172.2	0	0	0	0	109.1
560	A	93.8	Very high	74.7	Confident	18 Å²	18	76.6 Å²	76.6	15%	0.149	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.1	-178.8	0	0	0	0	0	111.2	L558 F562 K638 Y639 L641	L558-A560 PolarHBondContact O-N 3.24Å; A560-F562 HydrophobicContact CB-CE2 3.83Å; A560-K638 WeakPolarHBondContact O-CA 3.39Å; A560-Y639 PolarHBondContact N-O 3.31Å; A560-Y639 PolarHBondContact O-N 3.29Å; A560-L641 HydrophobicContact CB-CD1 3.59Å; A560-L641 HydrophobicContact CB-CD2 4.44Å; A560-L641 HydrophobicContact CB-CG 3.72Å
561	V	92	Very high	72	Confident	53 Å²	53	79.4 Å²	79.4	32%	0.321	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.1	176.7	-172.7	0	0	0	0	108.7	Y563 V636 R637 K638	V561-Y563 HydrophobicContact CB-CE2 4.48Å; V561-Y563 HydrophobicContact CG1-CE1 4.04Å; V561-Y563 HydrophobicContact CG1-CE2 4.18Å; V561-V636 HydrophobicContact CG1-CG1 3.62Å; V561-R637 WeakPolarHBondContact CA-O 3.32Å; V561-K638 HydrophobicContact CG2-CD 4.49Å; V561-K638 HydrophobicContact CG2-CG 4.25Å
562	F	89.7	Confident	69.4	Low	5 Å²	5	85 Å²	85	2%	0.022	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.5	175.7	-63.1	-101.6	0	0	0	108.4	A560 V636 R637 Y639 I692 V710 N711 F714	A560-F562 HydrophobicContact CB-CE2 3.83Å; F562-V636 CarbonylContact O-C 3.56Å; F562-V636 WeakPolarHBondContact O-CA 3.49Å; F562-R637 HydrophobicContact CB-CB 4.48Å; F562-R637 PolarHBondContact N-O 3.31Å; F562-R637 PolarHBondContact O-N 2.93Å; F562-Y639 AromaticContact CD2-CD2 3.83Å; F562-Y639 HydrophobicContact CD2-CD2 3.83Å; F562-Y639 HydrophobicContact CD2-CE2 4.41Å; F562-Y639 AromaticContact CE2-CD2 3.86Å; F562-Y639 HydrophobicContact CE2-CD2 3.86Å; F562-I692 HydrophobicContact CZ-CD1 4.27Å; F562-I692 HydrophobicContact CZ-CG2 4.17Å; F562-V710 HydrophobicContact CD1-CG1 4.24Å; F562-V710 HydrophobicContact CE1-CG1 4.1Å; F562-N711 WeakPolarHBondContact CD1-O 3.44Å; F562-F714 HydrophobicContact CD1-CB 4Å; F562-F714 HydrophobicContact CD2-CD1 4.38Å; F562-F714 HydrophobicContact CE1-CB 3.76Å; F562-F714 HydrophobicContact CE1-CD1 4.14Å; F562-F714 HydrophobicContact CE1-CG 4.18Å; F562-F714 AromaticContact CE2-CD1 3.87Å; F562-F714 HydrophobicContact CE2-CD1 3.87Å; F562-F714 HydrophobicContact CE2-CE1 4.45Å; F562-F714 HydrophobicContact CZ-CB 4.23Å; F562-F714 AromaticContact CZ-CD1 3.72Å; F562-F714 HydrophobicContact CZ-CD1 3.72Å; F562-F714 HydrophobicContact CZ-CE1 4.44Å; F562-F714 HydrophobicContact CZ-CG 4.15Å
563	Y	83.8	Confident	66.9	Low	151 Å²	151	87.1 Å²	87.1	59%	0.592	48%	0.484	S	S	*	.			trans	-90.5	-7.7	-174	-63.1	-84	0	0	0	113.5	V561 V636	V561-Y563 HydrophobicContact CB-CE2 4.48Å; V561-Y563 HydrophobicContact CG1-CE1 4.04Å; V561-Y563 HydrophobicContact CG1-CE2 4.18Å; Y563-V636 HydrophobicContact CD1-CG1 4.44Å; Y563-V636 HydrophobicContact CD1-CG2 4.09Å
564	G	74.4	Confident	64.3	Low	8 Å²	8	93 Å²	93	8%	0.082	51%	0.511	C	S	.	.			trans	78.3	177.8	-169.7	0	0	0	0	0	111.6	D712	G564-D712 WeakPolarHBondContact CA-O 3.15Å
565	R	67.1	Low	61.8	Low	182 Å²	182	99 Å²	99	69%	0.687	54%	0.535	S	S	*	.			trans	-68.6	138.5	169.8	-62.3	-174.2	-172.8	-166.6	0.6	109.2	S713	R565-S713 PolarHBondContact NE-OG 3.29Å; R565-S713 PolarHBondContact NH2-OG 2.81Å
566	P	54.5	Low	58.9	Low	107 Å²	107	97.7 Å²	97.7	70%	0.695	54%	0.543	S	S	*	.			trans	-55.4	141.1	165.1	-23.4	34.1	0	0	0	110.7	A568	P566-A568 PolarHBondContact O-N 2.67Å
567	N	41.7	Very low	55.7	Low	147 Å²	147	102.3 Å²	102.3	79%	0.786	57%	0.574	S	S	*	*	S	Bend	trans	-78.2	70.7	172.5	-80.8	-5.4	0	0	0	110.2
568	A	31.9	Very low	52.6	Low	72 Å²	72	103.6 Å²	103.6	60%	0.595	59%	0.588	S	S	*	*			trans	-132	149.5	167.3	0	0	0	0	0	108.6	P566	P566-A568 PolarHBondContact O-N 2.67Å
569	D	31.7	Very low	49.3	Very low	152 Å²	152	107.5 Å²	107.5	81%	0.813	61%	0.613	S	S	*	*			trans	67.8	60.2	-177.1	-55.3	-14.8	0	0	0	116.3	S571	D569-S571 PolarHBondContact O-N 3.45Å
570	I	30.8	Very low	46.1	Very low	170 Å²	170	111.1 Å²	111.1	87%	0.872	63%	0.625	S	S	*	*			trans	-71.5	87.8	146.1	-60.7	179.4	0	0	0	107.1
571	S	29.5	Very low	42.8	Very low	100 Å²	100	114.3 Å²	114.3	70%	0.699	65%	0.647	S	S	*	*			trans	-149	67.1	172.7	-75.4	0	0	0	0	109.9	D569	D569-S571 PolarHBondContact O-N 3.45Å
572	T	29.3	Very low	39.7	Very low	122 Å²	122	119.8 Å²	119.8	75%	0.748	67%	0.668	S	S	*	*			trans	-60.9	140	164.6	18	0	0	0	0	110.3
573	P	27.9	Very low	36.9	Very low	113 Å²	113	126.3 Å²	126.3	73%	0.734	71%	0.709	S	S	*	*				-109.7	156.2	106.5	31.1	-34.9	0	0	0	112
574	Q	26.6	Very low	34.2	Very low	186 Å²	186	128.1 Å²	128.1	87%	0.869	72%	0.723	S	S	*	*			trans	-72.1	134.7	171.7	-62.2	173.1	-59	0	0	109.9
575	I	31.3	Very low	32	Very low	154 Å²	154	131 Å²	131	79%	0.79	75%	0.752	S	S	*	*			trans	-127.1	120.1	156.4	-65	-175.9	0	0	0	108.1
576	S	28.1	Very low	30	Very low	89 Å²	89	131 Å²	131	62%	0.622	76%	0.757	S	S	*	*			trans	2.5	127.3	171.3	56.8	0	0	0	0	119.3	V578	S576-V578 PolarHBondContact O-N 3.1Å
577	S	24.4	Very low	28.7	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	77%	0.769	S	S	*	*			trans	-56.7	114.8	151.2	50.6	0	0	0	0	110.8
578	V	28.7	Very low	28.2	Very low	114 Å²	114	134.1 Å²	134.1	69%	0.691	77%	0.766	S	S	*	*			trans	-96.8	115.6	162.3	178.8	0	0	0	0	107.8	S576 D580	S576-V578 PolarHBondContact O-N 3.1Å; V578-D580 PolarHBondContact O-N 3.08Å
579	T	24.9	Very low	27.9	Very low	114 Å²	114	139.2 Å²	139.2	70%	0.699	78%	0.777	S	S	*	*			trans	-81.7	99	172.7	46.3	0	0	0	0	109.4	S581	T579-S581 PolarHBondContact O-N 2.94Å; T579-S581 PolarHBondContact O-OG 3.43Å
580	D	27	Very low	27.8	Very low	160 Å²	160	135.1 Å²	135.1	86%	0.856	77%	0.771	S	S	*	*			trans	-72.6	64.3	170	-90.6	-14.1	0	0	0	111.3	V578 H582	V578-D580 PolarHBondContact O-N 3.08Å; D580-H582 PolarHBondContact O-N 2.91Å
581	S	24.5	Very low	27.5	Very low	86 Å²	86	132 Å²	132	60%	0.601	76%	0.764	S	S	*	*			trans	-84.9	72.1	167.8	55.9	0	0	0	0	110.2	T579	T579-S581 PolarHBondContact O-N 2.94Å; T579-S581 PolarHBondContact O-OG 3.43Å
582	H	26.5	Very low	27.5	Very low	167 Å²	167	132.7 Å²	132.7	77%	0.773	77%	0.769	S	S	*	*			trans	-162.5	92.2	159.3	-89.1	-49.7	0	0	0	113.8	D580	D580-H582 PolarHBondContact O-N 2.91Å
583	T	30.8	Very low	27.3	Very low	143 Å²	143	131.9 Å²	131.9	88%	0.877	77%	0.768	S	S	*	*			trans	-136.4	77.3	144.7	54.4	0	0	0	0	109.8
584	H	26.3	Very low	27.2	Very low	189 Å²	189	131.1 Å²	131.1	88%	0.875	77%	0.771	S	S	*	*			trans	-66.1	132	154.6	-97.4	-99.9	0	0	0	108
585	G	27.9	Very low	27.3	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	77%	0.769	S	S	*	*			trans	-171.4	49.8	-168.6	0	0	0	0	0	114.1
586	F	25.3	Very low	26.9	Very low	181 Å²	181	127.8 Å²	127.8	79%	0.794	77%	0.769	S	S	*	*			trans	50	97.4	168.5	-82.9	-97.8	0	0	0	118.1	I588	F586-I588 HydrophobicContact CD1-CD1 4.09Å; F586-I588 HydrophobicContact CD1-CG1 4.28Å; F586-I588 HydrophobicContact CE1-CD1 3.91Å; F586-I588 HydrophobicContact CE1-CG1 4.49Å
587	L	27.6	Very low	27.1	Very low	178 Å²	178	130.8 Å²	130.8	93%	0.932	78%	0.778	S	S	*	*			trans	-132.5	122	135.6	-96.2	168.3	0	0	0	107.5
588	I	31.5	Very low	27.1	Very low	142 Å²	142	132.7 Å²	132.7	73%	0.728	78%	0.775	S	S	*	*			trans	-91	153.9	178	-73.3	178	0	0	0	109.6	F586	F586-I588 HydrophobicContact CD1-CD1 4.09Å; F586-I588 HydrophobicContact CD1-CG1 4.28Å; F586-I588 HydrophobicContact CE1-CD1 3.91Å; F586-I588 HydrophobicContact CE1-CG1 4.49Å
589	H	26.5	Very low	26.9	Very low	180 Å²	180	134.9 Å²	134.9	83%	0.833	78%	0.779	S	S	*	*			trans	-74.4	157.3	-169.6	-110.7	-94	0	0	0	115.7
590	G	28	Very low	27	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	78%	0.781	S	S	*	*			trans	158.1	82.1	174.4	0	0	0	0	0	108.8
591	S	24.9	Very low	27	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	77%	0.77	S	S	*	*				53.5	113.2	67	-46.3	0	0	0	0	109.7
592	S	29.8	Very low	27.2	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	78%	0.782	S	S	*	*			cis	-164.7	172.1	33.5	51.1	0	0	0	0	110.2
593	S	24.5	Very low	27.1	Very low	104 Å²	104	133 Å²	133	73%	0.727	78%	0.778	S	S	*	*			cis	-178.6	157.2	-19.8	52.6	0	0	0	0	109.6
594	A	25.5	Very low	27.1	Very low	97 Å²	97	131.7 Å²	131.7	80%	0.802	77%	0.774	S	S	*	*			trans	65.8	161.4	172.1	0	0	0	0	0	115.5
595	S	29.6	Very low	27.1	Very low	118 Å²	118	130.6 Å²	130.6	83%	0.825	77%	0.769	S	S	*	*			cis	-136.3	164.2	11	-65.9	0	0	0	0	113.5
596	L	23.6	Very low	27.1	Very low	152 Å²	152	134.8 Å²	134.8	80%	0.796	77%	0.77	S	S	*	*			trans	-90.6	148	166.5	-102.6	69.8	0	0	0	111.7
597	N	30.4	Very low	27.1	Very low	152 Å²	152	131 Å²	131	81%	0.813	77%	0.766	S	S	*	*			trans	177.3	127.6	140.4	-85.6	-22	0	0	0	106.4
598	Q	24.7	Very low	27.7	Very low	156 Å²	156	127.8 Å²	127.8	73%	0.729	76%	0.757	S	S	*	*				72.6	131.5	52.9	-75.8	-147.1	13	0	0	115.7
599	M	25.3	Very low	27.7	Very low	161 Å²	161	128.5 Å²	128.5	79%	0.793	76%	0.76	S	S	*	*			trans	69.3	147.7	169.2	-62	-171.5	-179.5	0	0	116.2
600	T	27.9	Very low	27.9	Very low	118 Å²	118	125.4 Å²	125.4	72%	0.724	76%	0.759	S	S	*	*			cis	-155.3	139.6	-4.3	3.6	0	0	0	0	113.2
601	S	25.8	Very low	28.1	Very low	91 Å²	91	125.8 Å²	125.8	64%	0.636	76%	0.763	S	S	*	*			trans	19	158.8	139.6	66.2	0	0	0	0	125.6
602	Q	28.2	Very low	28.3	Very low	181 Å²	181	129 Å²	129	85%	0.846	77%	0.771	S	S	*	*			trans	90.3	151.2	159.2	-58.4	-178.5	18.8	0	0	118
603	S	25.7	Very low	28.8	Very low	98 Å²	98	129.6 Å²	129.6	69%	0.685	77%	0.772	S	S	*	*			cis	-175.3	137.9	-36	53.5	0	0	0	0	112.5
604	S	31.2	Very low	29.2	Very low	115 Å²	115	128 Å²	128	80%	0.804	77%	0.772	S	S	*	*			trans	176.1	155.4	156.7	-82.7	0	0	0	0	110.1
605	Q	25.7	Very low	29.4	Very low	165 Å²	165	129.2 Å²	129.2	77%	0.771	78%	0.775	S	S	*	*			cis	84.8	143.2	6.8	-56.4	-159.4	23	0	0	117.4
606	Q	27	Very low	29.9	Very low	156 Å²	156	129.5 Å²	129.5	73%	0.729	77%	0.774	S	S	*	*			cis	-152.1	138.4	-7.8	-117.2	-175	55	0	0	110.7
607	S	25.8	Very low	30.3	Very low	101 Å²	101	125.7 Å²	125.7	71%	0.706	77%	0.771	S	S	*	*			trans	70.3	-176.8	131.5	-44.9	0	0	0	0	121.4
608	P	40.8	Very low	30.3	Very low	112 Å²	112	123.2 Å²	123.2	73%	0.727	77%	0.772	S	S	*	*				-139.7	-151.9	-112	37.9	-11.7	0	0	0	116.5
609	I	30.4	Very low	30.9	Very low	156 Å²	156	122.1 Å²	122.1	80%	0.8	78%	0.778	S	S	*	*			trans	87.2	140.4	168.5	-59.5	170.3	0	0	0	115.6
610	S	31.1	Very low	31.1	Very low	115 Å²	115	124.3 Å²	124.3	80%	0.804	78%	0.783	S	S	*	*			cis	-169.4	170.1	-29.2	69.3	0	0	0	0	110.9
611	G	31.5	Very low	31.2	Very low	74 Å²	74	124.1 Å²	124.1	76%	0.763	79%	0.787	S	S	*	*			trans	169.4	137.8	167.6	0	0	0	0	0	116.7
612	L	30.1	Very low	31.5	Very low	172 Å²	172	127.8 Å²	127.8	90%	0.901	80%	0.799	S	S	*	*			trans	-149.4	179	-179.9	-95	167.3	0	0	0	108.3
613	P	41	Very low	31.5	Very low	127 Å²	127	126.5 Å²	126.5	83%	0.825	80%	0.797	S	S	*	*			cis	-138.4	-177.7	14.3	43.3	-24.6	0	0	0	117.3
614	G	32.6	Very low	32.6	Very low	72 Å²	72	127 Å²	127	74%	0.742	80%	0.798	S	S	*	*			trans	168	135	164.9	0	0	0	0	0	115.1
615	S	29.9	Very low	33.1	Very low	122 Å²	122	126.8 Å²	126.8	85%	0.853	79%	0.794	S	S	*	*			trans	-157.1	-175.8	-177.9	-124	0	0	0	0	109.9
616	P	39.4	Very low	33.5	Very low	124 Å²	124	126.8 Å²	126.8	81%	0.805	80%	0.799	S	S	*	*			cis	-143.5	-177.9	16.9	43.9	-24.2	0	0	0	118.4
617	G	31.4	Very low	33.6	Very low	71 Å²	71	124.3 Å²	124.3	73%	0.732	80%	0.8	S	S	*	*			trans	96.3	115.6	156.2	0	0	0	0	0	116.7
618	A	31.4	Very low	33.8	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	81%	0.805	S	S	*	*			cis	91.2	149	37.5	0	0	0	0	0	114.1
619	P	36.5	Very low	33.3	Very low	133 Å²	133	126.7 Å²	126.7	86%	0.864	80%	0.804	S	S	*	*			cis	-127.2	-155.4	3.8	42	-23.7	0	0	0	114.9
620	K	29	Very low	33.2	Very low	206 Å²	206	126 Å²	126	90%	0.896	81%	0.808	S	S	*	*			trans	-109.5	147.9	-167	-54.1	172.8	-179.8	176.9	0	115.3
621	S	30.2	Very low	33.1	Very low	115 Å²	115	126.8 Å²	126.8	80%	0.804	81%	0.808	S	S	*	*			trans	-178.3	161.4	154.9	52.2	0	0	0	0	109.7
622	L	32.6	Very low	33.2	Very low	168 Å²	168	128 Å²	128	88%	0.88	81%	0.805	S	S	*	*			cis	-155.4	173.1	-28.5	-116.3	174.6	0	0	0	109
623	D	28.5	Very low	33.6	Very low	153 Å²	153	131.7 Å²	131.7	82%	0.818	81%	0.807	S	S	*	*			trans	-91.6	161.4	-175.6	-91.9	-55.2	0	0	0	115.6
624	P	49.7	Very low	34.1	Very low	109 Å²	109	128 Å²	128	71%	0.708	78%	0.784	S	S	*	*			trans	-100.3	-179.1	-164	42.6	-39.6	0	0	0	114.5
625	P	40	Very low	35.8	Very low	110 Å²	110	129.7 Å²	129.7	71%	0.714	78%	0.776	S	S	*	*				-154.4	154.6	94.8	39.8	-22.5	0	0	0	117.3
626	N	33.9	Very low	38.3	Very low	165 Å²	165	127.8 Å²	127.8	88%	0.882	76%	0.759	S	S	*	*				-178.7	166.9	115.7	-106.7	-24.3	0	0	0	113.9
627	S	29	Very low	40.6	Very low	105 Å²	105	124.9 Å²	124.9	73%	0.734	73%	0.732	S	S	*	*			trans	-113.1	143.8	-167	51.8	0	0	0	0	114.7
628	I	30.8	Very low	43.5	Very low	161 Å²	161	128.4 Å²	128.4	83%	0.826	73%	0.727	S	S	*	*			trans	-142.7	136.3	156.2	-62.7	-172.2	0	0	0	110.5
629	S	30	Very low	46.5	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	69%	0.691	S	S	*	*			trans	47.9	117.1	163.2	70.5	0	0	0	0	121.1
630	T	28.2	Very low	49.2	Very low	142 Å²	142	123.2 Å²	123.2	87%	0.871	67%	0.672	S	S	*	*			trans	-80.3	129	155.2	37.5	0	0	0	0	111.8
631	T	30.5	Very low	52.4	Low	131 Å²	131	113.6 Å²	113.6	80%	0.804	63%	0.63	S	S	*	*			trans	-141.7	151.1	158.3	41	0	0	0	0	110.2	R633	T631-R633 PolarHBondContact O-N 3.21Å
632	S	32.9	Very low	55.3	Low	100 Å²	100	109.3 Å²	109.3	70%	0.699	60%	0.597	S	S	*	*			trans	-76.9	120	-164	56.6	0	0	0	0	114.2	S634	S632-S634 PolarHBondContact O-N 2.88Å
633	R	37.6	Very low	58.2	Low	249 Å²	249	101.4 Å²	101.4	94%	0.94	56%	0.556	S	S	*	*			trans	-75.5	84.4	167	-73.8	-176.9	173.5	173.7	-0.8	111.2	T631 N635	T631-R633 PolarHBondContact O-N 3.21Å; R633-N635 PolarHBondContact O-N 3.33Å
634	S	52.5	Low	61.1	Low	49 Å²	49	95.9 Å²	95.9	34%	0.343	53%	0.53	S	S	.	.			trans	-74	115.5	177.1	52.4	0	0	0	0	112.6	S632 V636	S632-S634 PolarHBondContact O-N 2.88Å; S634-V636 VanDerWaalsContact C-N 3.31Å; S634-V636 PolarHBondContact O-N 2.85Å
635	N	68	Low	63	Low	109 Å²	109	91.4 Å²	91.4	58%	0.583	50%	0.5	S	S	*	.			trans	53	22.6	148	-103.2	-48.5	0	0	0	120	R633 R637	R633-N635 PolarHBondContact O-N 3.33Å; N635-R637 PolarHBondContact O-N 3.34Å; N635-R637 PolarHBondContact OD1-NH2 2.97Å
636	V	81.6	Confident	65.5	Low	81 Å²	81	86.8 Å²	86.8	49%	0.491	47%	0.469	S	S	.	.			trans	-64.4	123	175.8	-175.4	0	0	0	0	111.3	V561 F562 Y563 S634	V561-V636 HydrophobicContact CG1-CG1 3.62Å; F562-V636 CarbonylContact O-C 3.56Å; F562-V636 WeakPolarHBondContact O-CA 3.49Å; Y563-V636 HydrophobicContact CD1-CG1 4.44Å; Y563-V636 HydrophobicContact CD1-CG2 4.09Å; S634-V636 VanDerWaalsContact C-N 3.31Å; S634-V636 PolarHBondContact O-N 2.85Å
637	R	88.2	Confident	68.4	Low	63 Å²	63	79.1 Å²	79.1	24%	0.238	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.3	-179.4	-62.9	164.6	-161.9	153.1	9.2	110.5	V561 F562 N635 Y639 F714	V561-R637 WeakPolarHBondContact CA-O 3.32Å; F562-R637 HydrophobicContact CB-CB 4.48Å; F562-R637 PolarHBondContact N-O 3.31Å; F562-R637 PolarHBondContact O-N 2.93Å; N635-R637 PolarHBondContact O-N 3.34Å; N635-R637 PolarHBondContact OD1-NH2 2.97Å; R637-Y639 HydrophobicContact CB-CD2 4.49Å; R637-Y639 HydrophobicContact CB-CE2 3.89Å; R637-F714 PolarHBondContact NH1-O 3.15Å
638	K	91.9	Very high	71.5	Confident	146 Å²	146	75 Å²	75	64%	0.635	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.3	175.9	-61.4	-167.3	176.7	-175.3	0	111	A560 V561	A560-K638 WeakPolarHBondContact O-CA 3.39Å; V561-K638 HydrophobicContact CG2-CD 4.49Å; V561-K638 HydrophobicContact CG2-CG 4.25Å
639	Y	94.5	Very high	74.6	Confident	20 Å²	20	67.5 Å²	67.5	8%	0.078	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.5	179.5	-67	-73.4	0	0	0	110.7	A560 F562 R637 F714 S716 H718 I719 V721	A560-Y639 PolarHBondContact N-O 3.31Å; A560-Y639 PolarHBondContact O-N 3.29Å; F562-Y639 AromaticContact CD2-CD2 3.83Å; F562-Y639 HydrophobicContact CD2-CD2 3.83Å; F562-Y639 HydrophobicContact CD2-CE2 4.41Å; F562-Y639 AromaticContact CE2-CD2 3.86Å; F562-Y639 HydrophobicContact CE2-CD2 3.86Å; R637-Y639 HydrophobicContact CB-CD2 4.49Å; R637-Y639 HydrophobicContact CB-CE2 3.89Å; Y639-F714 AromaticContact CD2-CD1 3.9Å; Y639-F714 HydrophobicContact CD2-CD1 3.9Å; Y639-F714 AromaticContact CD2-CE1 3.81Å; Y639-F714 HydrophobicContact CD2-CE1 3.81Å; Y639-F714 AromaticContact CE2-CD1 3.77Å; Y639-F714 HydrophobicContact CE2-CD1 3.77Å; Y639-F714 AromaticContact CE2-CE1 3.86Å; Y639-F714 HydrophobicContact CE2-CE1 3.86Å; Y639-F714 HydrophobicContact CG-CE1 4.19Å; Y639-S716 PolarHBondContact OH-N 3.36Å; Y639-S716 VanDerWaalsContact OH-N 3.07Å; Y639-S716 PolarHBondContact OH-O 3.13Å; Y639-H718 WeakPolarHBondContact CD1-O 3.47Å; Y639-I719 CarbonylContact C-O 3.53Å; Y639-I719 VanDerWaalsContact CA-O 3.31Å; Y639-I719 WeakPolarHBondContact CA-O 3.46Å; Y639-V721 HydrophobicContact CD1-CG2 3.98Å; Y639-V721 HydrophobicContact CG-CG2 4.39Å
640	F	94.2	Very high	77.7	Confident	104 Å²	104	62.7 Å²	62.7	46%	0.456	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109.8	168.3	-71	-76.6	0	0	0	109.3	L558 I719 K720 V721	L558-F640 CarbonylContact O-C 3.5Å; L558-F640 WeakPolarHBondContact O-CA 3.4Å; F640-I719 HydrophobicContact CD2-CG2 4.16Å; F640-I719 PolarHBondContact N-O 3.45Å; F640-K720 HydrophobicContact CB-CB 4.45Å; F640-K720 HydrophobicContact CB-CG 4.39Å; F640-K720 CarbonylContact O-C 3.53Å; F640-K720 WeakPolarHBondContact O-CA 3.39Å; F640-V721 PolarHBondContact O-N 2.99Å
641	L	94.6	Very high	80.9	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	109.5	-177.6	-51.1	-175	0	0	0	110.1	E557 L558 A560 V643 L651 I692 V721	E557-L641 WeakPolarHBondContact CA-O 3.17Å; L558-L641 HydrophobicContact CB-CB 4.44Å; L558-L641 PolarHBondContact N-O 2.92Å; L558-L641 PolarHBondContact O-N 3.45Å; A560-L641 HydrophobicContact CB-CD1 3.59Å; A560-L641 HydrophobicContact CB-CD2 4.44Å; A560-L641 HydrophobicContact CB-CG 3.72Å; L641-V643 HydrophobicContact CB-CG1 3.92Å; L641-L651 HydrophobicContact CD1-CD1 4.22Å; L641-I692 HydrophobicContact CD1-CD1 3.92Å; L641-I692 HydrophobicContact CD1-CG1 4.13Å; L641-I692 HydrophobicContact CD1-CG2 4.06Å; L641-I692 HydrophobicContact CD2-CD1 3.75Å; L641-V721 CarbonylContact C-O 3.53Å; L641-V721 WeakPolarHBondContact CA-O 3.49Å; L641-V721 HydrophobicContact CD2-CB 3.84Å; L641-V721 HydrophobicContact CD2-CG1 4.4Å; L641-V721 HydrophobicContact CD2-CG2 4.27Å
642	Q	92.1	Very high	84	Confident	25 Å²	25	53.6 Å²	53.6	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.2	167.8	-174.2	-178.1	33.6	0	0	108.8	Y555 A556 E557 V721 R722 V723	Y555-Q642 HydrophobicContact CD2-CG 4.3Å; A556-Q642 WeakPolarHBondContact O-CA 3.42Å; E557-Q642 HydrophobicContact CG-CB 4.11Å; E557-Q642 HydrophobicContact CG-CG 4.05Å; Q642-V721 PolarHBondContact N-O 3.3Å; Q642-R722 HydrophobicContact CB-CB 4.42Å; Q642-R722 HydrophobicContact CB-CG 4.26Å; Q642-R722 HydrophobicContact CG-CG 4.38Å; Q642-R722 VanDerWaalsContact OE1-NE 3.1Å; Q642-V723 PolarHBondContact O-N 3.34Å
643	V	92.6	Very high	86.9	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	161.2	-167.5	-63.1	0	0	0	0	111.2	Y555 A556 L558 L641 Q647 M648 L651 V723	Y555-V643 CarbonylContact C-O 3.57Å; Y555-V643 WeakPolarHBondContact CA-O 3.44Å; Y555-V643 VanDerWaalsContact CB-O 3.27Å; Y555-V643 WeakPolarHBondContact CB-O 3.38Å; A556-V643 HydrophobicContact CB-CG2 4.34Å; A556-V643 PolarHBondContact N-O 3.31Å; A556-V643 PolarHBondContact O-N 3.3Å; L558-V643 HydrophobicContact CD1-CG2 3.85Å; L558-V643 HydrophobicContact CG-CG2 4.06Å; L641-V643 HydrophobicContact CB-CG1 3.92Å; V643-Q647 HydrophobicContact CB-CB 3.82Å; V643-Q647 HydrophobicContact CG1-CB 4.47Å; V643-Q647 HydrophobicContact CG2-CB 4.49Å; V643-M648 HydrophobicContact CG2-CB 4.02Å; V643-L651 HydrophobicContact CG1-CD1 4.09Å; V643-V723 HydrophobicContact CG1-CB 4.1Å; V643-V723 HydrophobicContact CG1-CG2 3.92Å
644	S	90.3	Very high	89.6	Confident	37 Å²	37	38.8 Å²	38.8	26%	0.259	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	161.6	167.8	72.9	0	0	0	0	111.7	Y646 Q647 M648	S644-Y646 VanDerWaalsContact C-N 3.28Å; S644-Y646 PolarHBondContact O-N 2.87Å; S644-Q647 WeakPolarHBondContact O-CB 3.46Å; S644-Q647 PolarHBondContact O-N 3.26Å; S644-Q647 VanDerWaalsContact O-N 3.11Å; S644-Q647 WeakPolarHBondContact OG-CG 3.3Å; S644-Q647 PolarHBondContact OG-N 3.49Å; S644-M648 PolarHBondContact O-N 2.97Å
645	T	90.5	Very high	91.5	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.092	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-38	175.5	-60.9	0	0	0	0	112.5	L523 T551 G554 M648 I649	L523-T645 HydrophobicContact CD2-CG2 3.94Å; T551-T645 HydrophobicContact CG2-CG2 4.32Å; T551-T645 VanDerWaalsContact O-CB 3.28Å; T551-T645 WeakPolarHBondContact O-CB 3.35Å; G554-T645 VanDerWaalsContact CA-OG1 3.28Å; G554-T645 WeakPolarHBondContact CA-OG1 3.32Å; G554-T645 PolarHBondContact O-N 3.42Å; G554-T645 VanDerWaalsContact O-N 3.08Å; G554-T645 PolarHBondContact O-OG1 3.36Å; T645-M648 HydrophobicContact CG2-CE 4.02Å; T645-M648 WeakPolarHBondContact O-CB 3.48Å; T645-M648 PolarHBondContact O-N 2.91Å; T645-I649 HydrophobicContact CG2-CD1 4.08Å; T645-I649 WeakPolarHBondContact O-CD1 3.37Å; T645-I649 WeakPolarHBondContact O-CG1 3.38Å; T645-I649 PolarHBondContact O-N 3.36Å
646	Y	91.9	Very high	92.6	Very high	13 Å²	13	46.6 Å²	46.6	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-42.7	173.1	-65.6	-23.3	0	0	0	112.5	E521 N552 S644 M648 I649 I650 I671 E675	E521-Y646 HydrophobicContact CG-CD1 4.43Å; E521-Y646 HydrophobicContact CG-CE1 3.84Å; E521-Y646 PolarHBondContact OE1-OH 2.68Å; N552-Y646 HydrophobicContact CB-CE2 3.99Å; S644-Y646 VanDerWaalsContact C-N 3.28Å; S644-Y646 PolarHBondContact O-N 2.87Å; Y646-M648 VanDerWaalsContact C-N 3.31Å; Y646-M648 PolarHBondContact O-N 2.97Å; Y646-I649 HydrophobicContact CD1-CD1 4.44Å; Y646-I649 PolarHBondContact O-N 2.93Å; Y646-I650 WeakPolarHBondContact O-CD1 3.31Å; Y646-I650 VanDerWaalsContact O-CG1 3.27Å; Y646-I650 WeakPolarHBondContact O-CG1 3.42Å; Y646-I650 PolarHBondContact O-N 3.07Å; Y646-I671 HydrophobicContact CD1-CD1 4.3Å; Y646-I671 HydrophobicContact CD1-CG1 4.02Å; Y646-I671 HydrophobicContact CD1-CG2 4.19Å; Y646-I671 HydrophobicContact CD2-CG2 4.15Å; Y646-I671 HydrophobicContact CE1-CG2 4.46Å; Y646-I671 HydrophobicContact CE2-CG2 4.4Å; Y646-I671 HydrophobicContact CG-CD1 4.38Å; Y646-I671 HydrophobicContact CG-CG1 4.43Å; Y646-I671 HydrophobicContact CG-CG2 4.02Å; Y646-E675 HydrophobicContact CD2-CB 3.83Å; Y646-E675 HydrophobicContact CE2-CB 3.6Å; Y646-E675 HydrophobicContact CE2-CG 4Å
647	Q	94.2	Very high	93.1	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-36	174.5	-72.9	171.7	-22.5	0	0	112	V643 S644 L651 L683	V643-Q647 HydrophobicContact CB-CB 3.82Å; V643-Q647 HydrophobicContact CG1-CB 4.47Å; V643-Q647 HydrophobicContact CG2-CB 4.49Å; S644-Q647 WeakPolarHBondContact O-CB 3.46Å; S644-Q647 PolarHBondContact O-N 3.26Å; S644-Q647 VanDerWaalsContact O-N 3.11Å; S644-Q647 WeakPolarHBondContact OG-CG 3.3Å; S644-Q647 PolarHBondContact OG-N 3.49Å; Q647-L651 WeakPolarHBondContact O-CB 3.36Å; Q647-L651 VanDerWaalsContact O-CG 3.23Å; Q647-L651 WeakPolarHBondContact O-CG 3.23Å; Q647-L651 PolarHBondContact O-N 3.45Å; Q647-L683 HydrophobicContact CB-CD1 4.14Å; Q647-L683 HydrophobicContact CB-CD2 4.48Å; Q647-L683 HydrophobicContact CG-CD1 3.98Å; Q647-L683 HydrophobicContact CG-CD2 4.4Å; Q647-L683 HydrophobicContact CG-CG 4.07Å
648	M	94.5	Very high	93.2	Very high	20 Å²	20	51 Å²	51	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-50.9	171.4	169.5	-173.6	77.6	0	0	111.7	L523 P524 A556 L558 V643 S644 T645 Y646 I650 L651 M652	L523-M648 HydrophobicContact CD2-CE 4.23Å; P524-M648 HydrophobicContact CG-CE 4.09Å; P524-M648 HydrophobicContact CG-CG 4.41Å; P524-M648 HydrophobicContact CG-SD 4.41Å; A556-M648 HydrophobicContact CB-CB 4.15Å; A556-M648 HydrophobicContact CB-CG 4.28Å; A556-M648 HydrophobicContact CB-SD 3.5Å; A556-M648 VanDerWaalsContact CB-SD 3.5Å; L558-M648 HydrophobicContact CD1-CB 4.14Å; L558-M648 HydrophobicContact CD1-CG 4.13Å; L558-M648 HydrophobicContact CD2-CG 3.95Å; L558-M648 HydrophobicContact CD2-SD 4.24Å; V643-M648 HydrophobicContact CG2-CB 4.02Å; S644-M648 PolarHBondContact O-N 2.97Å; T645-M648 HydrophobicContact CG2-CE 4.02Å; T645-M648 WeakPolarHBondContact O-CB 3.48Å; T645-M648 PolarHBondContact O-N 2.91Å; Y646-M648 VanDerWaalsContact C-N 3.31Å; Y646-M648 PolarHBondContact O-N 2.97Å; M648-I650 VanDerWaalsContact C-N 3.28Å; M648-I650 PolarHBondContact O-N 3.3Å; M648-L651 PolarHBondContact O-N 3.36Å; M648-M652 HydrophobicContact CG-CG 4.13Å; M648-M652 WeakPolarHBondContact O-CB 3.2Å; M648-M652 VanDerWaalsContact O-CG 3.28Å; M648-M652 WeakPolarHBondContact O-CG 3.26Å; M648-M652 PolarHBondContact O-N 2.65Å
649	I	95	Very high	93.4	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-55.8	-45.3	179.4	-70.5	159.3	0	0	0	110.4	E521 A522 L523 T645 Y646 T669 I671	E521-I649 HydrophobicContact CB-CD1 3.94Å; A522-I649 WeakPolarHBondContact O-CG2 3.42Å; L523-I649 HydrophobicContact CD2-CD1 4.05Å; L523-I649 HydrophobicContact CD2-CG1 4.33Å; T645-I649 HydrophobicContact CG2-CD1 4.08Å; T645-I649 WeakPolarHBondContact O-CD1 3.37Å; T645-I649 WeakPolarHBondContact O-CG1 3.38Å; T645-I649 PolarHBondContact O-N 3.36Å; Y646-I649 HydrophobicContact CD1-CD1 4.44Å; Y646-I649 PolarHBondContact O-N 2.93Å; I649-T669 HydrophobicContact CG2-CG2 3.69Å; I649-I671 HydrophobicContact CB-CD1 4.15Å; I649-I671 HydrophobicContact CG2-CD1 3.92Å; I649-I671 HydrophobicContact CG2-CG1 4.49Å
650	I	95.7	Very high	93.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-50.2	176.1	-66	160.2	0	0	0	111.4	Y646 M648 M652 K653 F654 L665 I671 L676 L680 L683 L693	Y646-I650 WeakPolarHBondContact O-CD1 3.31Å; Y646-I650 VanDerWaalsContact O-CG1 3.27Å; Y646-I650 WeakPolarHBondContact O-CG1 3.42Å; Y646-I650 PolarHBondContact O-N 3.07Å; M648-I650 VanDerWaalsContact C-N 3.28Å; M648-I650 PolarHBondContact O-N 3.3Å; I650-M652 PolarHBondContact O-N 3.35Å; I650-K653 WeakPolarHBondContact O-CB 3.49Å; I650-K653 PolarHBondContact O-N 2.85Å; I650-F654 HydrophobicContact CG2-CE2 4.17Å; I650-F654 WeakPolarHBondContact O-CD2 3.37Å; I650-L665 HydrophobicContact CG2-CD1 4.45Å; I650-I671 HydrophobicContact CD1-CD1 4.09Å; I650-I671 HydrophobicContact CG1-CD1 3.79Å; I650-L676 HydrophobicContact CD1-CD1 3.62Å; I650-L676 HydrophobicContact CG1-CD1 3.92Å; I650-L680 HydrophobicContact CD1-CG 4.43Å; I650-L680 HydrophobicContact CG2-CD2 3.86Å; I650-L683 HydrophobicContact CB-CD1 4.42Å; I650-L683 HydrophobicContact CG2-CD1 4.06Å; I650-L693 HydrophobicContact CG2-CD1 4.29Å
651	L	95.9	Very high	93.6	Very high	20 Å²	20	44.5 Å²	44.5	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-36.6	-176.6	-73.2	173.8	0	0	0	112.7	L558 L641 V643 Q647 M648 K653 F654 L683 I692 L693	L558-L651 HydrophobicContact CD1-CB 4.38Å; L558-L651 HydrophobicContact CD1-CD1 4.26Å; L641-L651 HydrophobicContact CD1-CD1 4.22Å; V643-L651 HydrophobicContact CG1-CD1 4.09Å; Q647-L651 WeakPolarHBondContact O-CB 3.36Å; Q647-L651 VanDerWaalsContact O-CG 3.23Å; Q647-L651 WeakPolarHBondContact O-CG 3.23Å; Q647-L651 PolarHBondContact O-N 3.45Å; M648-L651 PolarHBondContact O-N 3.36Å; L651-K653 PolarHBondContact O-N 3.12Å; L651-F654 PolarHBondContact O-N 2.98Å; L651-F654 VanDerWaalsContact O-N 3.12Å; L651-L683 HydrophobicContact CD1-CD2 3.96Å; L651-L683 HydrophobicContact CD2-CD1 4.38Å; L651-L683 HydrophobicContact CD2-CD2 4.24Å; L651-L683 HydrophobicContact CG-CD1 4.23Å; L651-L683 HydrophobicContact CG-CD2 4.24Å; L651-I692 HydrophobicContact CD1-CG2 4.4Å; L651-I692 HydrophobicContact CD2-CB 4.39Å; L651-I692 HydrophobicContact CD2-CG2 3.54Å; L651-L693 HydrophobicContact CD2-CD2 4.11Å; L651-L693 HydrophobicContact CD2-CG 4.26Å
652	M	94.3	Very high	93.7	Very high	61 Å²	61	44.7 Å²	44.7	30%	0.3	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-21.9	179.4	-71.1	-64.5	-73.7	0	0	113.4	P524 M648 I650 F654 N655	P524-M652 HydrophobicContact CB-CE 4.43Å; P524-M652 HydrophobicContact CG-CB 4.27Å; P524-M652 HydrophobicContact CG-CG 3.94Å; M648-M652 HydrophobicContact CG-CG 4.13Å; M648-M652 WeakPolarHBondContact O-CB 3.2Å; M648-M652 VanDerWaalsContact O-CG 3.28Å; M648-M652 WeakPolarHBondContact O-CG 3.26Å; M648-M652 PolarHBondContact O-N 2.65Å; I650-M652 PolarHBondContact O-N 3.35Å; M652-F654 VanDerWaalsContact C-N 3.33Å; M652-N655 PolarHBondContact O-N 3.22Å; M652-N655 PolarHBondContact SD-ND2 2.74Å
653	K	94.8	Very high	93.8	Very high	27 Å²	27	48.2 Å²	48.2	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-36	171.9	-65.4	-65.8	-173.6	168.4	0	112.5	I650 L651 N655 R656 R657 Y660 E668 T669	I650-K653 WeakPolarHBondContact O-CB 3.49Å; I650-K653 PolarHBondContact O-N 2.85Å; L651-K653 PolarHBondContact O-N 3.12Å; K653-N655 PolarHBondContact O-N 2.88Å; K653-N655 VanDerWaalsContact O-N 3.14Å; K653-R656 PolarHBondContact O-N 2.8Å; K653-R657 PolarHBondContact O-N 3.2Å; K653-Y660 HydrophobicContact CB-CD2 4.43Å; K653-Y660 HydrophobicContact CB-CE2 3.76Å; K653-E668 WeakPolarHBondContact CD-OE2 3.14Å; K653-E668 WeakPolarHBondContact CE-O 3.25Å; K653-E668 WeakPolarHBondContact CE-OE2 3.33Å; K653-E668 PolarHBondContact NZ-O 3.24Å; K653-E668 IonicContact NZ-OE2 3.55Å; K653-E668 PolarHBondContact NZ-OE2 2.8Å; K653-T669 HydrophobicContact CG-CG2 4.16Å
654	F	94.8	Very high	94	Very high	12 Å²	12	50.7 Å²	50.7	5%	0.053	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14	-177.9	-70.4	-81.2	0	0	0	114	I650 L651 M652 R656 R657 Y660 L693 F708 V710	I650-F654 HydrophobicContact CG2-CE2 4.17Å; I650-F654 WeakPolarHBondContact O-CD2 3.37Å; L651-F654 PolarHBondContact O-N 2.98Å; L651-F654 VanDerWaalsContact O-N 3.12Å; M652-F654 VanDerWaalsContact C-N 3.33Å; F654-R656 PolarHBondContact O-N 3.04Å; F654-R657 WeakPolarHBondContact CA-O 3.41Å; F654-Y660 HydrophobicContact CD1-CD2 4.1Å; F654-Y660 AromaticContact CE1-CD2 3.82Å; F654-Y660 HydrophobicContact CE1-CD2 3.82Å; F654-Y660 HydrophobicContact CZ-CD2 4.11Å; F654-L693 HydrophobicContact CD2-CD2 3.96Å; F654-L693 HydrophobicContact CE1-CD2 4.42Å; F654-L693 HydrophobicContact CE2-CD1 3.88Å; F654-L693 HydrophobicContact CE2-CD2 3.76Å; F654-L693 HydrophobicContact CG-CD2 4.38Å; F654-L693 HydrophobicContact CZ-CD1 4.24Å; F654-L693 HydrophobicContact CZ-CD2 4.01Å; F654-F708 WeakPolarHBondContact CE1-O 3.27Å; F654-F708 HydrophobicContact CZ-CB 4.07Å; F654-V710 HydrophobicContact CB-CG2 3.71Å; F654-V710 HydrophobicContact CD1-CG2 3.95Å; F654-V710 HydrophobicContact CG-CG2 3.94Å
655	N	92.3	Very high	94.2	Very high	125 Å²	125	48.9 Å²	48.9	67%	0.668	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.7	168.7	-63.8	-33.5	0	0	0	113.4	M652 K653	M652-N655 PolarHBondContact O-N 3.22Å; M652-N655 PolarHBondContact SD-ND2 2.74Å; K653-N655 PolarHBondContact O-N 2.88Å; K653-N655 VanDerWaalsContact O-N 3.14Å
656	R	90.5	Very high	94.4	Very high	196 Å²	196	49.6 Å²	49.6	74%	0.74	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-30.2	179.2	-61.5	-175.8	178.9	-172.5	-1.5	113.2	K653 F654	K653-R656 PolarHBondContact O-N 2.8Å; F654-R656 PolarHBondContact O-N 3.04Å
657	R	92.8	Very high	94.4	Very high	109 Å²	109	52.9 Å²	52.9	41%	0.411	26%	0.257	S	S	.	.			trans	-155.4	131	-176	177.7	-179.5	166.7	-170.2	-7	111.2	K653 F654 R659 Y660 E664	K653-R657 PolarHBondContact O-N 3.2Å; F654-R657 WeakPolarHBondContact CA-O 3.41Å; R657-R659 VanDerWaalsContact C-N 3.33Å; R657-R659 WeakPolarHBondContact CG-O 3.32Å; R657-R659 PolarHBondContact NE-O 2.71Å; R657-R659 PolarHBondContact O-N 2.8Å; R657-Y660 HydrophobicContact CB-CE2 3.74Å; R657-Y660 HydrophobicContact CG-CE2 4.27Å; R657-Y660 WeakPolarHBondContact O-CE2 3.21Å; R657-E664 IonicContact CZ-OE1 2.6Å; R657-E664 IonicContact NH1-OE1 2.62Å; R657-E664 PolarHBondContact NH1-OE1 2.93Å; R657-E664 IonicContact NH2-OE1 3.65Å; R657-E664 PolarHBondContact NH2-OE1 3.18Å; R657-E664 IonicContact NH2-OE2 2.69Å; R657-E664 PolarHBondContact NH2-OE2 2.98Å
658	N	90.2	Very high	94.4	Very high	128 Å²	128	56 Å²	56	68%	0.684	27%	0.271	S	S	*	.	S	Bend	trans	-72.8	-18.7	-169.8	-60.3	-2.9	0	0	0	115.1	Y709	N658-Y709 WeakPolarHBondContact O-CA 3.42Å; N658-Y709 VanDerWaalsContact O-CB 3.28Å; N658-Y709 WeakPolarHBondContact O-CB 3.36Å
659	R	95.8	Very high	94.4	Very high	106 Å²	106	55 Å²	55	40%	0.4	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.9	-174.4	-61	-174.2	58.3	106.5	-4.2	111.1	R657 E696 V707 F708	R657-R659 VanDerWaalsContact C-N 3.33Å; R657-R659 WeakPolarHBondContact CG-O 3.32Å; R657-R659 PolarHBondContact NE-O 2.71Å; R657-R659 PolarHBondContact O-N 2.8Å; R659-E696 IonicContact CZ-OE2 2.66Å; R659-E696 IonicContact NH1-OE2 3.88Å; R659-E696 PolarHBondContact NH1-OE2 2.88Å; R659-E696 IonicContact NH2-OE2 3.7Å; R659-E696 PolarHBondContact NH2-OE2 3.13Å; R659-V707 HydrophobicContact CB-CG1 4.26Å; R659-F708 WeakPolarHBondContact CA-O 3.27Å
660	Y	96.8	Very high	94.2	Very high	5 Å²	5	59.3 Å²	59.3	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.9	-179	-83.5	-77.5	0	0	0	111.6	K653 F654 R657 E664 L665 E668 F708	K653-Y660 HydrophobicContact CB-CD2 4.43Å; K653-Y660 HydrophobicContact CB-CE2 3.76Å; F654-Y660 HydrophobicContact CD1-CD2 4.1Å; F654-Y660 AromaticContact CE1-CD2 3.82Å; F654-Y660 HydrophobicContact CE1-CD2 3.82Å; F654-Y660 HydrophobicContact CZ-CD2 4.11Å; R657-Y660 HydrophobicContact CB-CE2 3.74Å; R657-Y660 HydrophobicContact CG-CE2 4.27Å; R657-Y660 WeakPolarHBondContact O-CE2 3.21Å; Y660-E664 HydrophobicContact CD1-CB 3.95Å; Y660-L665 HydrophobicContact CD1-CD2 4.2Å; Y660-L665 HydrophobicContact CD2-CD2 4.25Å; Y660-L665 HydrophobicContact CG-CD2 3.85Å; Y660-L665 HydrophobicContact CG-CG 4.38Å; Y660-E668 WeakPolarHBondContact CE1-OE1 3.23Å; Y660-E668 PolarHBondContact OH-OE1 3.28Å; Y660-F708 PolarHBondContact N-O 2.95Å; Y660-F708 PolarHBondContact O-N 3.29Å
661	S	96	Very high	94	Very high	22 Å²	22	59.5 Å²	59.5	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	162.3	166.9	62.6	0	0	0	0	112.5	I663 E664 L665 D706	S661-I663 VanDerWaalsContact C-N 3.34Å; S661-I663 PolarHBondContact O-N 2.67Å; S661-E664 WeakPolarHBondContact CB-OE2 3.5Å; S661-E664 PolarHBondContact N-OE2 2.87Å; S661-E664 PolarHBondContact O-N 3.26Å; S661-E664 WeakPolarHBondContact OG-CB 3.35Å; S661-E664 VanDerWaalsContact OG-CD 3.27Å; S661-E664 WeakPolarHBondContact OG-CG 3.43Å; S661-E664 PolarHBondContact OG-N 2.96Å; S661-E664 PolarHBondContact OG-OE2 2.71Å; S661-L665 WeakPolarHBondContact O-CG 3.49Å; S661-L665 PolarHBondContact O-N 3.14Å; S661-D706 CarbonylContact C-O 3.54Å; S661-D706 VanDerWaalsContact CA-O 3.26Å; S661-D706 WeakPolarHBondContact CA-O 3.28Å
662	F	96.3	Very high	93.7	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.035	31%	0.306	C	S	.	.	H	α-helix	trans	-58	-43	174.3	-176.8	-91.3	0	0	0	112.7	L665 A666 E673 L676 K677 L680 I702 D706 F708	F662-L665 PolarHBondContact O-N 2.89Å; F662-A666 WeakPolarHBondContact O-CB 3.39Å; F662-A666 PolarHBondContact O-N 2.82Å; F662-E673 HydrophobicContact CE1-CG 3.76Å; F662-E673 HydrophobicContact CZ-CG 3.66Å; F662-L676 HydrophobicContact CD2-CD2 4.24Å; F662-L676 HydrophobicContact CD2-CG 4.35Å; F662-L676 HydrophobicContact CE1-CD2 4.39Å; F662-L676 HydrophobicContact CE2-CB 4.4Å; F662-L676 HydrophobicContact CE2-CD2 3.85Å; F662-L676 HydrophobicContact CE2-CG 3.76Å; F662-L676 HydrophobicContact CZ-CD2 3.93Å; F662-L676 HydrophobicContact CZ-CG 4.17Å; F662-K677 HydrophobicContact CE2-CB 4.12Å; F662-K677 HydrophobicContact CZ-CB 4.31Å; F662-L680 HydrophobicContact CD2-CD1 3.65Å; F662-L680 HydrophobicContact CE2-CD1 4Å; F662-I702 HydrophobicContact CD2-CG2 3.52Å; F662-I702 HydrophobicContact CE2-CG2 3.86Å; F662-I702 HydrophobicContact CG-CG2 4.28Å; F662-D706 PolarHBondContact N-O 3.5Å; F662-F708 HydrophobicContact CB-CE2 4.27Å
663	I	95.2	Very high	93.5	Very high	99 Å²	99	65 Å²	65	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-45.6	176.4	-70.5	160	0	0	0	111.4	S661 L665 A666 S667 S704	S661-I663 VanDerWaalsContact C-N 3.34Å; S661-I663 PolarHBondContact O-N 2.67Å; I663-L665 PolarHBondContact O-N 2.94Å; I663-A666 PolarHBondContact O-N 3.31Å; I663-S667 PolarHBondContact O-N 3.21Å; I663-S667 PolarHBondContact O-OG 2.92Å; I663-S704 WeakPolarHBondContact CD1-O 3.4Å; I663-S704 WeakPolarHBondContact CG1-O 3.42Å; I663-S704 PolarHBondContact N-O 3.31Å
664	E	95.5	Very high	93.1	Very high	55 Å²	55	70.5 Å²	70.5	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-48.7	176.3	-72	165.8	124.2	0	0	110.4	R657 Y660 S661 A666 S667 E668	R657-E664 IonicContact CZ-OE1 2.6Å; R657-E664 IonicContact NH1-OE1 2.62Å; R657-E664 PolarHBondContact NH1-OE1 2.93Å; R657-E664 IonicContact NH2-OE1 3.65Å; R657-E664 PolarHBondContact NH2-OE1 3.18Å; R657-E664 IonicContact NH2-OE2 2.69Å; R657-E664 PolarHBondContact NH2-OE2 2.98Å; Y660-E664 HydrophobicContact CD1-CB 3.95Å; S661-E664 WeakPolarHBondContact CB-OE2 3.5Å; S661-E664 PolarHBondContact N-OE2 2.87Å; S661-E664 PolarHBondContact O-N 3.26Å; S661-E664 WeakPolarHBondContact OG-CB 3.35Å; S661-E664 VanDerWaalsContact OG-CD 3.27Å; S661-E664 WeakPolarHBondContact OG-CG 3.43Å; S661-E664 PolarHBondContact OG-N 2.96Å; S661-E664 PolarHBondContact OG-OE2 2.71Å; E664-A666 VanDerWaalsContact C-N 3.33Å; E664-A666 PolarHBondContact O-N 3.36Å; E664-S667 PolarHBondContact O-N 2.89Å; E664-S667 PolarHBondContact O-OG 3.07Å; E664-E668 VanDerWaalsContact O-CB 3.31Å; E664-E668 WeakPolarHBondContact O-CB 3.34Å; E664-E668 PolarHBondContact O-N 2.88Å
665	L	95.6	Very high	92.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-41	176.2	-69.6	177.4	0	0	0	112.9	I650 Y660 S661 F662 I663 T669 L676 L680 F708	I650-L665 HydrophobicContact CG2-CD1 4.45Å; Y660-L665 HydrophobicContact CD1-CD2 4.2Å; Y660-L665 HydrophobicContact CD2-CD2 4.25Å; Y660-L665 HydrophobicContact CG-CD2 3.85Å; Y660-L665 HydrophobicContact CG-CG 4.38Å; S661-L665 WeakPolarHBondContact O-CG 3.49Å; S661-L665 PolarHBondContact O-N 3.14Å; F662-L665 PolarHBondContact O-N 2.89Å; I663-L665 PolarHBondContact O-N 2.94Å; L665-T669 VanDerWaalsContact O-CB 3.28Å; L665-T669 WeakPolarHBondContact O-CB 3.28Å; L665-T669 VanDerWaalsContact O-CG2 3.25Å; L665-T669 WeakPolarHBondContact O-CG2 3.5Å; L665-T669 PolarHBondContact O-N 3.11Å; L665-T669 PolarHBondContact O-OG1 2.86Å; L665-L676 HydrophobicContact CB-CD1 4.3Å; L665-L676 HydrophobicContact CB-CD2 4.32Å; L665-L680 HydrophobicContact CD1-CD1 3.96Å; L665-L680 HydrophobicContact CD1-CD2 3.86Å; L665-F708 HydrophobicContact CD1-CD2 4.33Å
666	A	94	Very high	92.7	Very high	30 Å²	30	66.4 Å²	66.4	25%	0.248	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-51.2	176.9	0	0	0	0	0	111.2	F662 I663 E664 N670 L676	F662-A666 WeakPolarHBondContact O-CB 3.39Å; F662-A666 PolarHBondContact O-N 2.82Å; I663-A666 PolarHBondContact O-N 3.31Å; E664-A666 VanDerWaalsContact C-N 3.33Å; E664-A666 PolarHBondContact O-N 3.36Å; A666-N670 PolarHBondContact O-N 3.08Å; A666-L676 HydrophobicContact CB-CD2 3.72Å
667	S	93.3	Very high	92.8	Very high	81 Å²	81	59.9 Å²	59.9	57%	0.566	30%	0.295	S	S	*	.	H	α-helix	trans	-66	-36.3	179.4	67.9	0	0	0	0	114	I663 E664	I663-S667 PolarHBondContact O-N 3.21Å; I663-S667 PolarHBondContact O-OG 2.92Å; E664-S667 PolarHBondContact O-N 2.89Å; E664-S667 PolarHBondContact O-OG 3.07Å
668	E	93.7	Very high	92.5	Very high	68 Å²	68	58 Å²	58	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-83.9	-19.8	-177	-92.4	-144.2	-129.7	0	0	113.8	K653 Y660 E664	K653-E668 WeakPolarHBondContact CD-OE2 3.14Å; K653-E668 WeakPolarHBondContact CE-O 3.25Å; K653-E668 WeakPolarHBondContact CE-OE2 3.33Å; K653-E668 PolarHBondContact NZ-O 3.24Å; K653-E668 IonicContact NZ-OE2 3.55Å; K653-E668 PolarHBondContact NZ-OE2 2.8Å; Y660-E668 WeakPolarHBondContact CE1-OE1 3.23Å; Y660-E668 PolarHBondContact OH-OE1 3.28Å; E664-E668 VanDerWaalsContact O-CB 3.31Å; E664-E668 WeakPolarHBondContact O-CB 3.34Å; E664-E668 PolarHBondContact O-N 2.88Å
669	T	93.7	Very high	92.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-109.4	-19.5	-177.3	67.2	0	0	0	0	114	E521 A522 I649 K653 L665 I671	E521-T669 WeakPolarHBondContact CA-O 3.4Å; A522-T669 PolarHBondContact N-O 2.97Å; I649-T669 HydrophobicContact CG2-CG2 3.69Å; K653-T669 HydrophobicContact CG-CG2 4.16Å; L665-T669 VanDerWaalsContact O-CB 3.28Å; L665-T669 WeakPolarHBondContact O-CB 3.28Å; L665-T669 VanDerWaalsContact O-CG2 3.25Å; L665-T669 WeakPolarHBondContact O-CG2 3.5Å; L665-T669 PolarHBondContact O-N 3.11Å; L665-T669 PolarHBondContact O-OG1 2.86Å; T669-I671 HydrophobicContact CG2-CD1 4.3Å; T669-I671 PolarHBondContact O-N 3.4Å; T669-I671 VanDerWaalsContact O-N 3.13Å; T669-I671 WeakPolarHBondContact OG1-CG1 3.39Å; T669-I671 PolarHBondContact OG1-N 2.72Å
670	N	92.3	Very high	92.6	Very high	93 Å²	93	47.3 Å²	47.3	50%	0.497	24%	0.239	S	C	.	.			trans	54.4	17.4	-169.8	-65.4	-27.9	0	0	0	114.5	N520 A666	N520-N670 VanDerWaalsContact O-CB 3.28Å; N520-N670 WeakPolarHBondContact O-CB 3.28Å; N520-N670 PolarHBondContact O-ND2 3.29Å; N520-N670 VanDerWaalsContact O-ND2 3.09Å; A666-N670 PolarHBondContact O-N 3.08Å
671	I	91.4	Very high	92.3	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.026	25%	0.248	C	C	.	.			trans	-71.3	130.7	177.3	-63.6	166	0	0	0	108.9	E521 Y646 I649 I650 T669 E673 E675 L676	E521-I671 HydrophobicContact CB-CG1 4.48Å; E521-I671 HydrophobicContact CG-CG1 4.11Å; Y646-I671 HydrophobicContact CD1-CD1 4.3Å; Y646-I671 HydrophobicContact CD1-CG1 4.02Å; Y646-I671 HydrophobicContact CD1-CG2 4.19Å; Y646-I671 HydrophobicContact CD2-CG2 4.15Å; Y646-I671 HydrophobicContact CE1-CG2 4.46Å; Y646-I671 HydrophobicContact CE2-CG2 4.4Å; Y646-I671 HydrophobicContact CG-CD1 4.38Å; Y646-I671 HydrophobicContact CG-CG1 4.43Å; Y646-I671 HydrophobicContact CG-CG2 4.02Å; I649-I671 HydrophobicContact CB-CD1 4.15Å; I649-I671 HydrophobicContact CG2-CD1 3.92Å; I649-I671 HydrophobicContact CG2-CG1 4.49Å; I650-I671 HydrophobicContact CD1-CD1 4.09Å; I650-I671 HydrophobicContact CG1-CD1 3.79Å; T669-I671 HydrophobicContact CG2-CD1 4.3Å; T669-I671 PolarHBondContact O-N 3.4Å; T669-I671 VanDerWaalsContact O-N 3.13Å; T669-I671 WeakPolarHBondContact OG1-CG1 3.39Å; T669-I671 PolarHBondContact OG1-N 2.72Å; I671-E673 PolarHBondContact O-N 2.9Å; I671-E675 HydrophobicContact CG2-CB 4.25Å; I671-L676 HydrophobicContact CB-CB 4.34Å; I671-L676 HydrophobicContact CG2-CB 3.96Å
672	P	88.7	Confident	92	Very high	65 Å²	65	48.3 Å²	48.3	42%	0.422	24%	0.243	S	C	.	.			trans	-54.1	132.1	176.6	-27.6	35.3	0	0	0	112.5	R674 E675 L676	P672-R674 VanDerWaalsContact C-N 3.28Å; P672-R674 PolarHBondContact O-N 3.4Å; P672-E675 WeakPolarHBondContact O-CA 3.26Å; P672-E675 PolarHBondContact O-N 2.75Å; P672-L676 PolarHBondContact O-N 2.81Å
673	E	89.8	Confident	91.9	Very high	132 Å²	132	47.9 Å²	47.9	62%	0.617	24%	0.241	S	C	*	.	H	α-helix	trans	-49	-44.1	-167.8	-166.9	-168.9	155.1	0	0	114.1	F662 I671 E675 L676 K677	F662-E673 HydrophobicContact CE1-CG 3.76Å; F662-E673 HydrophobicContact CZ-CG 3.66Å; I671-E673 PolarHBondContact O-N 2.9Å; E673-E675 VanDerWaalsContact C-N 3.31Å; E673-E675 PolarHBondContact O-N 2.87Å; E673-L676 PolarHBondContact O-N 2.96Å; E673-K677 WeakPolarHBondContact O-CB 3.44Å; E673-K677 PolarHBondContact O-N 3.12Å
674	R	86.2	Confident	91.8	Very high	141 Å²	141	43.5 Å²	43.5	53%	0.532	22%	0.22	S	C	.	.	H	α-helix	trans	-56.4	-42	176.2	-178	-178.3	179.7	-176.7	-1.5	112.7	P672 R678	P672-R674 VanDerWaalsContact C-N 3.28Å; P672-R674 PolarHBondContact O-N 3.4Å; R674-R678 WeakPolarHBondContact O-CB 3.36Å; R674-R678 WeakPolarHBondContact O-CD 3.41Å; R674-R678 VanDerWaalsContact O-CG 3.26Å; R674-R678 WeakPolarHBondContact O-CG 3.5Å; R674-R678 PolarHBondContact O-N 2.66Å; R674-R678 VanDerWaalsContact O-N 3.11Å
675	E	86.9	Confident	91.4	Very high	51 Å²	51	43.1 Å²	43.1	24%	0.238	22%	0.219	C	C	.	.	H	α-helix	trans	-85.1	-27	-178.4	-60.4	-50.6	130.4	0	0	112.4	Y646 I671 P672 E673 R678 S679	Y646-E675 HydrophobicContact CD2-CB 3.83Å; Y646-E675 HydrophobicContact CE2-CB 3.6Å; Y646-E675 HydrophobicContact CE2-CG 4Å; I671-E675 HydrophobicContact CG2-CB 4.25Å; P672-E675 WeakPolarHBondContact O-CA 3.26Å; P672-E675 PolarHBondContact O-N 2.75Å; E673-E675 VanDerWaalsContact C-N 3.31Å; E673-E675 PolarHBondContact O-N 2.87Å; E675-R678 VanDerWaalsContact OE1-CD 3.31Å; E675-R678 WeakPolarHBondContact OE1-CD 3.43Å; E675-R678 IonicContact OE1-CZ 2.78Å; E675-R678 IonicContact OE1-NE 2.66Å; E675-R678 IonicContact OE1-NH1 2.66Å; E675-R678 PolarHBondContact OE1-NH1 2.98Å; E675-R678 VanDerWaalsContact OE2-CD 3.27Å; E675-R678 WeakPolarHBondContact OE2-CD 3.32Å; E675-R678 IonicContact OE2-NH1 3.12Å; E675-R678 PolarHBondContact OE2-NH1 3.29Å; E675-S679 WeakPolarHBondContact O-CB 3.2Å; E675-S679 PolarHBondContact O-N 2.84Å; E675-S679 PolarHBondContact O-OG 3.35Å
676	L	92.2	Very high	90.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-51.2	166.9	179	60	0	0	0	110.6	I650 F662 L665 A666 I671 P672 E673 R678 S679 L680	I650-L676 HydrophobicContact CD1-CD1 3.62Å; I650-L676 HydrophobicContact CG1-CD1 3.92Å; F662-L676 HydrophobicContact CD2-CD2 4.24Å; F662-L676 HydrophobicContact CD2-CG 4.35Å; F662-L676 HydrophobicContact CE1-CD2 4.39Å; F662-L676 HydrophobicContact CE2-CB 4.4Å; F662-L676 HydrophobicContact CE2-CD2 3.85Å; F662-L676 HydrophobicContact CE2-CG 3.76Å; F662-L676 HydrophobicContact CZ-CD2 3.93Å; F662-L676 HydrophobicContact CZ-CG 4.17Å; L665-L676 HydrophobicContact CB-CD1 4.3Å; L665-L676 HydrophobicContact CB-CD2 4.32Å; A666-L676 HydrophobicContact CB-CD2 3.72Å; I671-L676 HydrophobicContact CB-CB 4.34Å; I671-L676 HydrophobicContact CG2-CB 3.96Å; P672-L676 PolarHBondContact O-N 2.81Å; E673-L676 PolarHBondContact O-N 2.96Å; L676-R678 PolarHBondContact O-N 2.85Å; L676-S679 PolarHBondContact O-N 2.61Å; L676-S679 VanDerWaalsContact O-N 3.14Å; L676-L680 HydrophobicContact CD1-CD1 3.75Å; L676-L680 HydrophobicContact CD1-CG 4.06Å; L676-L680 HydrophobicContact CG-CD1 3.9Å; L676-L680 WeakPolarHBondContact O-CB 3.44Å; L676-L680 WeakPolarHBondContact O-CG 3.41Å; L676-L680 PolarHBondContact O-N 2.69Å
677	K	91.9	Very high	90.2	Very high	60 Å²	60	51.1 Å²	51.1	26%	0.261	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-45.6	176.4	-174.9	149.9	174.7	169.1	0	111.3	F662 E673 S679 M681 I702 E703	F662-K677 HydrophobicContact CE2-CB 4.12Å; F662-K677 HydrophobicContact CZ-CB 4.31Å; E673-K677 WeakPolarHBondContact O-CB 3.44Å; E673-K677 PolarHBondContact O-N 3.12Å; K677-S679 PolarHBondContact O-N 3.36Å; K677-M681 HydrophobicContact CG-CE 4.1Å; K677-M681 HydrophobicContact CG-SD 4.45Å; K677-M681 WeakPolarHBondContact O-CB 3.49Å; K677-M681 VanDerWaalsContact O-CG 3.25Å; K677-M681 WeakPolarHBondContact O-CG 3.45Å; K677-M681 PolarHBondContact O-N 2.66Å; K677-I702 HydrophobicContact CD-CB 4.16Å; K677-I702 WeakPolarHBondContact CE-O 3.34Å; K677-I702 HydrophobicContact CG-CB 4.08Å; K677-I702 PolarHBondContact NZ-O 3.26Å; K677-E703 IonicContact NZ-OE1 2.82Å
678	R	88.4	Confident	89.6	Confident	70 Å²	70	51.7 Å²	51.7	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-44.1	172.3	-78.6	167.9	157.2	-168.1	-12.9	113.3	R674 E675 L676 A682	R674-R678 WeakPolarHBondContact O-CB 3.36Å; R674-R678 WeakPolarHBondContact O-CD 3.41Å; R674-R678 VanDerWaalsContact O-CG 3.26Å; R674-R678 WeakPolarHBondContact O-CG 3.5Å; R674-R678 PolarHBondContact O-N 2.66Å; R674-R678 VanDerWaalsContact O-N 3.11Å; E675-R678 VanDerWaalsContact OE1-CD 3.31Å; E675-R678 WeakPolarHBondContact OE1-CD 3.43Å; E675-R678 IonicContact OE1-CZ 2.78Å; E675-R678 IonicContact OE1-NE 2.66Å; E675-R678 IonicContact OE1-NH1 2.66Å; E675-R678 PolarHBondContact OE1-NH1 2.98Å; E675-R678 VanDerWaalsContact OE2-CD 3.27Å; E675-R678 WeakPolarHBondContact OE2-CD 3.32Å; E675-R678 IonicContact OE2-NH1 3.12Å; E675-R678 PolarHBondContact OE2-NH1 3.29Å; L676-R678 PolarHBondContact O-N 2.85Å; R678-A682 PolarHBondContact O-N 3.35Å
679	S	91.7	Very high	89.2	Confident	8 Å²	8	51.4 Å²	51.4	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-42.6	-178.2	-62.9	0	0	0	0	112	E675 L676 K677 A682 L683	E675-S679 WeakPolarHBondContact O-CB 3.2Å; E675-S679 PolarHBondContact O-N 2.84Å; E675-S679 PolarHBondContact O-OG 3.35Å; L676-S679 PolarHBondContact O-N 2.61Å; L676-S679 VanDerWaalsContact O-N 3.14Å; K677-S679 PolarHBondContact O-N 3.36Å; S679-A682 PolarHBondContact O-N 3.04Å; S679-L683 WeakPolarHBondContact O-CG 3.36Å; S679-L683 PolarHBondContact O-N 2.89Å
680	L	94.4	Very high	88.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.7	-38.5	176.3	-71.7	170.7	0	0	0	112.4	I650 F662 L665 L676 A682 L683 A684 L693 I702 F708	I650-L680 HydrophobicContact CD1-CG 4.43Å; I650-L680 HydrophobicContact CG2-CD2 3.86Å; F662-L680 HydrophobicContact CD2-CD1 3.65Å; F662-L680 HydrophobicContact CE2-CD1 4Å; L665-L680 HydrophobicContact CD1-CD1 3.96Å; L665-L680 HydrophobicContact CD1-CD2 3.86Å; L676-L680 HydrophobicContact CD1-CD1 3.75Å; L676-L680 HydrophobicContact CD1-CG 4.06Å; L676-L680 HydrophobicContact CG-CD1 3.9Å; L676-L680 WeakPolarHBondContact O-CB 3.44Å; L676-L680 WeakPolarHBondContact O-CG 3.41Å; L676-L680 PolarHBondContact O-N 2.69Å; L680-A682 VanDerWaalsContact C-N 3.29Å; L680-A682 PolarHBondContact O-N 3.02Å; L680-L683 PolarHBondContact O-N 2.74Å; L680-A684 WeakPolarHBondContact O-CB 3.44Å; L680-A684 PolarHBondContact O-N 2.73Å; L680-L693 HydrophobicContact CD2-CD1 3.99Å; L680-I702 HydrophobicContact CB-CD1 3.56Å; L680-F708 HydrophobicContact CB-CE1 4.03Å; L680-F708 HydrophobicContact CB-CZ 4.22Å; L680-F708 HydrophobicContact CD1-CD2 4.29Å; L680-F708 HydrophobicContact CD1-CE1 4.38Å; L680-F708 HydrophobicContact CD1-CE2 3.94Å; L680-F708 HydrophobicContact CD1-CZ 3.99Å; L680-F708 HydrophobicContact CD2-CD1 3.98Å; L680-F708 HydrophobicContact CD2-CE1 4.19Å; L680-F708 HydrophobicContact CD2-CG 4.15Å; L680-F708 HydrophobicContact CG-CE1 4.44Å
681	M	91.4	Very high	88.8	Confident	43 Å²	43	52.5 Å²	52.5	21%	0.212	26%	0.257	C	S	.	.	I	π-helix	trans	-58.5	-42.4	172.4	-75.6	175.7	166.7	0	0	111.4	K677 L685 G686 I702 I726	K677-M681 HydrophobicContact CG-CE 4.1Å; K677-M681 HydrophobicContact CG-SD 4.45Å; K677-M681 WeakPolarHBondContact O-CB 3.49Å; K677-M681 VanDerWaalsContact O-CG 3.25Å; K677-M681 WeakPolarHBondContact O-CG 3.45Å; K677-M681 PolarHBondContact O-N 2.66Å; M681-L685 HydrophobicContact CB-CD1 4.49Å; M681-L685 HydrophobicContact CG-CD1 3.99Å; M681-L685 CarbonylContact O-C 3.52Å; M681-L685 WeakPolarHBondContact O-CA 3.39Å; M681-L685 WeakPolarHBondContact O-CB 3.47Å; M681-L685 PolarHBondContact O-N 3.21Å; M681-G686 PolarHBondContact O-N 3.11Å; M681-I702 HydrophobicContact CB-CD1 4.36Å; M681-I702 HydrophobicContact CE-CG1 4.4Å; M681-I702 HydrophobicContact CG-CD1 3.57Å; M681-I702 HydrophobicContact CG-CG1 4.05Å; M681-I726 HydrophobicContact CB-CD1 3.67Å; M681-I726 HydrophobicContact SD-CD1 4.33Å
682	A	90	Very high	89	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.041	26%	0.257	C	S	.	.	I	π-helix	trans	-65.9	-37.8	175.6	0	0	0	0	0	113.2	R678 S679 L680 I726	R678-A682 PolarHBondContact O-N 3.35Å; S679-A682 PolarHBondContact O-N 3.04Å; L680-A682 VanDerWaalsContact C-N 3.29Å; L680-A682 PolarHBondContact O-N 3.02Å; A682-I726 HydrophobicContact CB-CG1 4.4Å
683	L	93.8	Very high	89.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-80.1	-29.5	-177.8	-72.8	170.1	0	0	0	114.9	Q647 I650 L651 S679 L680 R691 I692 L693 V723	Q647-L683 HydrophobicContact CB-CD1 4.14Å; Q647-L683 HydrophobicContact CB-CD2 4.48Å; Q647-L683 HydrophobicContact CG-CD1 3.98Å; Q647-L683 HydrophobicContact CG-CD2 4.4Å; Q647-L683 HydrophobicContact CG-CG 4.07Å; I650-L683 HydrophobicContact CB-CD1 4.42Å; I650-L683 HydrophobicContact CG2-CD1 4.06Å; L651-L683 HydrophobicContact CD1-CD2 3.96Å; L651-L683 HydrophobicContact CD2-CD1 4.38Å; L651-L683 HydrophobicContact CD2-CD2 4.24Å; L651-L683 HydrophobicContact CG-CD1 4.23Å; L651-L683 HydrophobicContact CG-CD2 4.24Å; S679-L683 WeakPolarHBondContact O-CG 3.36Å; S679-L683 PolarHBondContact O-N 2.89Å; L680-L683 PolarHBondContact O-N 2.74Å; L683-R691 CarbonylContact O-C 3.58Å; L683-R691 WeakPolarHBondContact O-CA 3.49Å; L683-I692 HydrophobicContact CD2-CB 4.2Å; L683-I692 HydrophobicContact CD2-CG1 4.24Å; L683-I692 PolarHBondContact O-N 3.21Å; L683-L693 HydrophobicContact CB-CD1 3.99Å; L683-L693 HydrophobicContact CB-CG 4.2Å; L683-L693 HydrophobicContact CD1-CD1 4.13Å; L683-L693 PolarHBondContact O-N 2.98Å; L683-V723 HydrophobicContact CD2-CG1 4.06Å; L683-V723 HydrophobicContact CD2-CG2 4.48Å
684	A	92.9	Very high	89.5	Confident	7 Å²	7	44.5 Å²	44.5	6%	0.058	22%	0.217	C	C	.	.	I	π-helix	trans	-116.1	-34.3	-173	0	0	0	0	0	114.4	L680 R691 L693 K695 F708	L680-A684 WeakPolarHBondContact O-CB 3.44Å; L680-A684 PolarHBondContact O-N 2.73Å; A684-R691 WeakPolarHBondContact O-CD 3.46Å; A684-R691 WeakPolarHBondContact O-CG 3.21Å; A684-L693 WeakPolarHBondContact CA-O 3.47Å; A684-L693 HydrophobicContact CB-CB 4.06Å; A684-K695 HydrophobicContact CB-CB 4.35Å; A684-F708 HydrophobicContact CB-CD1 4.09Å; A684-F708 HydrophobicContact CB-CE1 4.04Å
685	L	88.1	Confident	90	Very high	46 Å²	46	38.2 Å²	38.2	24%	0.241	19%	0.193	C	C	.	.	I	π-helix	trans	-108.2	-14	-171.2	-65.7	161.4	0	0	0	113.3	M681 R691 K695 T699 R700 I702	M681-L685 HydrophobicContact CB-CD1 4.49Å; M681-L685 HydrophobicContact CG-CD1 3.99Å; M681-L685 CarbonylContact O-C 3.52Å; M681-L685 WeakPolarHBondContact O-CA 3.39Å; M681-L685 WeakPolarHBondContact O-CB 3.47Å; M681-L685 PolarHBondContact O-N 3.21Å; L685-R691 PolarHBondContact O-NH2 2.91Å; L685-K695 HydrophobicContact CD1-CD 4.31Å; L685-T699 WeakPolarHBondContact CD2-O 3.43Å; L685-R700 WeakPolarHBondContact CD1-O 3.39Å; L685-I702 HydrophobicContact CD1-CD1 4.07Å; L685-I702 HydrophobicContact CD1-CG1 3.77Å
686	G	81	Confident	90.3	Very high	25 Å²	25	40 Å²	40	26%	0.258	20%	0.202	S	C	.	.	S	Bend	trans	-62	-160.4	179.6	0	0	0	0	0	115.7	M681 R691	M681-G686 PolarHBondContact O-N 3.11Å; G686-R691 PolarHBondContact O-NE 3.44Å; G686-R691 PolarHBondContact O-NH2 3.34Å; G686-R691 VanDerWaalsContact O-NH2 3.1Å
687	R	82.8	Confident	90.3	Very high	174 Å²	174	43.5 Å²	43.5	66%	0.657	23%	0.225	S	C	*	.			trans	-62.2	143.6	-179.8	-57.8	-179.6	177.7	-172.4	-1.8	110.1	S689 Q690 R691	R687-S689 PolarHBondContact O-N 3.46Å; R687-S689 VanDerWaalsContact O-N 3.09Å; R687-Q690 CarbonylContact O-C 3.38Å; R687-Q690 WeakPolarHBondContact O-CA 3.27Å; R687-Q690 WeakPolarHBondContact O-CB 3.31Å; R687-Q690 PolarHBondContact O-N 3.44Å; R687-R691 PolarHBondContact O-N 2.95Å
688	C	81.7	Confident	90.2	Very high	93 Å²	93	49.6 Å²	49.6	63%	0.628	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-55.7	-33.8	-175.9	-57.8	0	0	0	0	113.7	Q690 R691	C688-Q690 PolarHBondContact O-N 3.47Å; C688-R691 PolarHBondContact O-N 3.2Å
689	S	83.8	Confident	90.3	Very high	61 Å²	61	49.5 Å²	49.5	43%	0.427	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-73.4	3.8	173.5	53.8	0	0	0	0	115.3	R687 F714	R687-S689 PolarHBondContact O-N 3.46Å; R687-S689 VanDerWaalsContact O-N 3.09Å; S689-F714 WeakPolarHBondContact O-CZ 3.4Å
690	Q	88.1	Confident	90	Very high	22 Å²	22	59.7 Å²	59.7	10%	0.103	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-130	1.4	177.9	-65.9	169.7	-47.6	0	0	112.3	R687 C688 I692 R722	R687-Q690 CarbonylContact O-C 3.38Å; R687-Q690 WeakPolarHBondContact O-CA 3.27Å; R687-Q690 WeakPolarHBondContact O-CB 3.31Å; R687-Q690 PolarHBondContact O-N 3.44Å; C688-Q690 PolarHBondContact O-N 3.47Å; Q690-I692 VanDerWaalsContact C-N 3.32Å; Q690-I692 PolarHBondContact O-N 2.88Å; Q690-R722 PolarHBondContact NE2-O 3.02Å
691	R	90.9	Very high	89.7	Confident	94 Å²	94	64.1 Å²	64.1	36%	0.355	32%	0.319	S	S	.	.			trans	-77.8	79.5	178.4	-69.8	-176.4	-173.8	175.2	-4.3	111	L683 A684 L685 G686 R687 C688 L693 N711 F714	L683-R691 CarbonylContact O-C 3.58Å; L683-R691 WeakPolarHBondContact O-CA 3.49Å; A684-R691 WeakPolarHBondContact O-CD 3.46Å; A684-R691 WeakPolarHBondContact O-CG 3.21Å; L685-R691 PolarHBondContact O-NH2 2.91Å; G686-R691 PolarHBondContact O-NE 3.44Å; G686-R691 PolarHBondContact O-NH2 3.34Å; G686-R691 VanDerWaalsContact O-NH2 3.1Å; R687-R691 PolarHBondContact O-N 2.95Å; C688-R691 PolarHBondContact O-N 3.2Å; R691-L693 VanDerWaalsContact C-N 3.31Å; R691-N711 WeakPolarHBondContact O-CB 3.32Å; R691-N711 PolarHBondContact O-ND2 2.9Å; R691-F714 WeakPolarHBondContact O-CD2 3.23Å
692	I	94.3	Very high	89.7	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.026	31%	0.309	C	S	.	.			trans	-70.1	-31.7	175.7	-54	-54.5	0	0	0	111	F562 L641 L651 L683 Q690 N711 F714 V723	F562-I692 HydrophobicContact CZ-CD1 4.27Å; F562-I692 HydrophobicContact CZ-CG2 4.17Å; L641-I692 HydrophobicContact CD1-CD1 3.92Å; L641-I692 HydrophobicContact CD1-CG1 4.13Å; L641-I692 HydrophobicContact CD1-CG2 4.06Å; L641-I692 HydrophobicContact CD2-CD1 3.75Å; L651-I692 HydrophobicContact CD1-CG2 4.4Å; L651-I692 HydrophobicContact CD2-CB 4.39Å; L651-I692 HydrophobicContact CD2-CG2 3.54Å; L683-I692 HydrophobicContact CD2-CB 4.2Å; L683-I692 HydrophobicContact CD2-CG1 4.24Å; L683-I692 PolarHBondContact O-N 3.21Å; Q690-I692 VanDerWaalsContact C-N 3.32Å; Q690-I692 PolarHBondContact O-N 2.88Å; I692-N711 WeakPolarHBondContact O-CB 3.46Å; I692-N711 PolarHBondContact O-N 3.4Å; I692-F714 HydrophobicContact CD1-CD1 4.35Å; I692-F714 HydrophobicContact CD1-CD2 4.28Å; I692-F714 HydrophobicContact CD1-CE1 3.95Å; I692-F714 HydrophobicContact CD1-CE2 3.87Å; I692-F714 HydrophobicContact CD1-CZ 3.7Å; I692-V723 HydrophobicContact CG1-CG2 4.08Å
693	L	95.3	Very high	89.8	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	160.3	176.8	-60	179.5	0	0	0	111.3	I650 L651 F654 L680 L683 A684 R691 Y709 V710	I650-L693 HydrophobicContact CG2-CD1 4.29Å; L651-L693 HydrophobicContact CD2-CD2 4.11Å; L651-L693 HydrophobicContact CD2-CG 4.26Å; F654-L693 HydrophobicContact CD2-CD2 3.96Å; F654-L693 HydrophobicContact CE1-CD2 4.42Å; F654-L693 HydrophobicContact CE2-CD1 3.88Å; F654-L693 HydrophobicContact CE2-CD2 3.76Å; F654-L693 HydrophobicContact CG-CD2 4.38Å; F654-L693 HydrophobicContact CZ-CD1 4.24Å; F654-L693 HydrophobicContact CZ-CD2 4.01Å; L680-L693 HydrophobicContact CD2-CD1 3.99Å; L683-L693 HydrophobicContact CB-CD1 3.99Å; L683-L693 HydrophobicContact CB-CG 4.2Å; L683-L693 HydrophobicContact CD1-CD1 4.13Å; L683-L693 PolarHBondContact O-N 2.98Å; A684-L693 WeakPolarHBondContact CA-O 3.47Å; A684-L693 HydrophobicContact CB-CB 4.06Å; R691-L693 VanDerWaalsContact C-N 3.31Å; L693-Y709 CarbonylContact C-O 3.54Å; L693-Y709 VanDerWaalsContact CA-O 3.28Å; L693-Y709 WeakPolarHBondContact CA-O 3.35Å; L693-V710 HydrophobicContact CD2-CG2 4.47Å
694	C	94.4	Very high	89.6	Confident	28 Å²	28	69.4 Å²	69.4	19%	0.189	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	158.1	163.3	-72	0	0	0	0	109.6	F708 Y709	C694-F708 WeakPolarHBondContact O-CA 3.21Å; C694-Y709 HydrophobicContact CB-CD1 3.92Å; C694-Y709 HydrophobicContact CB-CD2 3.95Å; C694-Y709 HydrophobicContact CB-CE1 3.51Å; C694-Y709 HydrophobicContact CB-CE2 3.56Å; C694-Y709 HydrophobicContact CB-CG 4.12Å; C694-Y709 PolarHBondContact N-O 2.71Å; C694-Y709 PolarHBondContact O-N 3.07Å
695	K	95.6	Very high	89.6	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.039	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.4	173.2	-168.6	-179.2	86.1	79.3	0	110.3	A684 L685 P697 K698 T699 D701 I702 D706 V707 F708	A684-K695 HydrophobicContact CB-CB 4.35Å; L685-K695 HydrophobicContact CD1-CD 4.31Å; K695-P697 WeakPolarHBondContact CE-O 3.48Å; K695-P697 PolarHBondContact NZ-O 3.37Å; K695-K698 WeakPolarHBondContact O-CG 3.39Å; K695-T699 VanDerWaalsContact CE-O 3.27Å; K695-T699 WeakPolarHBondContact CE-O 3.47Å; K695-T699 PolarHBondContact NZ-OG1 3.43Å; K695-D701 WeakPolarHBondContact CE-O 3.43Å; K695-D701 PolarHBondContact NZ-O 3.27Å; K695-I702 HydrophobicContact CD-CG1 3.99Å; K695-D706 HydrophobicContact CD-CB 4.2Å; K695-D706 WeakPolarHBondContact CD-OD2 3.49Å; K695-D706 HydrophobicContact CG-CB 4.1Å; K695-D706 IonicContact NZ-OD1 3.41Å; K695-D706 PolarHBondContact NZ-OD1 3.12Å; K695-D706 IonicContact NZ-OD2 3.12Å; K695-D706 PolarHBondContact NZ-OD2 2.88Å; K695-V707 CarbonylContact C-O 3.57Å; K695-V707 WeakPolarHBondContact CA-O 3.36Å; K695-F708 HydrophobicContact CB-CD1 4.15Å; K695-F708 HydrophobicContact CB-CE1 3.85Å; K695-F708 HydrophobicContact CB-CZ 4.49Å; K695-F708 HydrophobicContact CD-CE1 3.68Å; K695-F708 HydrophobicContact CD-CZ 3.61Å; K695-F708 HydrophobicContact CG-CD1 4.14Å; K695-F708 HydrophobicContact CG-CE1 3.56Å; K695-F708 HydrophobicContact CG-CE2 4.41Å; K695-F708 HydrophobicContact CG-CZ 3.7Å
696	E	94.4	Very high	90	Very high	89 Å²	89	72.1 Å²	72.1	42%	0.416	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.2	178.9	-176.8	163.6	-148.6	0	0	109.7	R659 V707 Y709	R659-E696 IonicContact CZ-OE2 2.66Å; R659-E696 IonicContact NH1-OE2 3.88Å; R659-E696 PolarHBondContact NH1-OE2 2.88Å; R659-E696 IonicContact NH2-OE2 3.7Å; R659-E696 PolarHBondContact NH2-OE2 3.13Å; E696-V707 PolarHBondContact N-O 3.39Å; E696-V707 PolarHBondContact O-N 3.01Å; E696-Y709 HydrophobicContact CB-CE1 4.26Å
697	P	92.5	Very high	90.8	Very high	74 Å²	74	72.7 Å²	72.7	48%	0.481	37%	0.365	S	S	.	.	S	Bend	cis	-64.6	159.6	-4.2	28.2	-38.1	0	0	0	114.6	K695 T699 D706	K695-P697 WeakPolarHBondContact CE-O 3.48Å; K695-P697 PolarHBondContact NZ-O 3.37Å; P697-T699 HydrophobicContact CB-CG2 4.49Å; P697-T699 HydrophobicContact CG-CG2 4.49Å; P697-T699 PolarHBondContact O-N 3.32Å; P697-D706 VanDerWaalsContact CD-OD1 3.25Å; P697-D706 WeakPolarHBondContact CD-OD1 3.33Å
698	K	89.7	Confident	91.5	Very high	187 Å²	187	64.4 Å²	64.4	81%	0.813	33%	0.334	S	S	*	.			trans	-81.6	45.5	-176.9	-64.7	176.2	-176.2	167	0	113.6	K695	K695-K698 WeakPolarHBondContact O-CG 3.39Å
699	T	90.9	Very high	92.1	Very high	68 Å²	68	63 Å²	63	42%	0.417	32%	0.316	S	S	.	.			trans	-80.8	167	174.2	55.7	0	0	0	0	111.9	L685 K695 P697 D701	L685-T699 WeakPolarHBondContact CD2-O 3.43Å; K695-T699 VanDerWaalsContact CE-O 3.27Å; K695-T699 WeakPolarHBondContact CE-O 3.47Å; K695-T699 PolarHBondContact NZ-OG1 3.43Å; P697-T699 HydrophobicContact CB-CG2 4.49Å; P697-T699 HydrophobicContact CG-CG2 4.49Å; P697-T699 PolarHBondContact O-N 3.32Å; T699-D701 PolarHBondContact OG1-O 3.02Å
700	R	85.1	Confident	92.6	Very high	222 Å²	222	62.1 Å²	62.1	84%	0.838	31%	0.308	S	S	*	.	S	Bend	trans	-74.9	-31.7	179	-71.6	-173.5	177.9	-172.9	0.9	113.4	L685	L685-R700 WeakPolarHBondContact CD1-O 3.39Å
701	D	87.1	Confident	92.8	Very high	93 Å²	93	62.4 Å²	62.4	50%	0.497	31%	0.31	S	S	.	.	S	Bend	trans	-94.7	172.3	-178.3	-63.8	-79	0	0	0	111.6	K695 T699	K695-D701 WeakPolarHBondContact CE-O 3.43Å; K695-D701 PolarHBondContact NZ-O 3.27Å; T699-D701 PolarHBondContact OG1-O 3.02Å
702	I	90.7	Very high	92.7	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	31%	0.309	C	S	.	.			trans	-119.6	114.7	178.7	-62.3	-175.6	0	0	0	109.9	F662 K677 L680 M681 L685 K695 D706 F708	F662-I702 HydrophobicContact CD2-CG2 3.52Å; F662-I702 HydrophobicContact CE2-CG2 3.86Å; F662-I702 HydrophobicContact CG-CG2 4.28Å; K677-I702 HydrophobicContact CD-CB 4.16Å; K677-I702 WeakPolarHBondContact CE-O 3.34Å; K677-I702 HydrophobicContact CG-CB 4.08Å; K677-I702 PolarHBondContact NZ-O 3.26Å; L680-I702 HydrophobicContact CB-CD1 3.56Å; M681-I702 HydrophobicContact CB-CD1 4.36Å; M681-I702 HydrophobicContact CE-CG1 4.4Å; M681-I702 HydrophobicContact CG-CD1 3.57Å; M681-I702 HydrophobicContact CG-CG1 4.05Å; L685-I702 HydrophobicContact CD1-CD1 4.07Å; L685-I702 HydrophobicContact CD1-CG1 3.77Å; K695-I702 HydrophobicContact CD-CG1 3.99Å; I702-D706 WeakPolarHBondContact CA-OD2 3.36Å; I702-F708 HydrophobicContact CD1-CE1 4.17Å; I702-F708 HydrophobicContact CD1-CZ 3.86Å; I702-F708 HydrophobicContact CG1-CZ 4.15Å; I702-F708 HydrophobicContact CG2-CE2 4.24Å; I702-F708 HydrophobicContact CG2-CZ 3.8Å
703	E	92.5	Very high	92.4	Very high	98 Å²	98	63.2 Å²	63.2	46%	0.458	33%	0.326	S	S	.	.			trans	-103.4	161.6	176.9	-59.5	-46.9	123.2	0	0	111.8	K677 T705 D706	K677-E703 IonicContact NZ-OE1 2.82Å; E703-T705 PolarHBondContact O-N 3.28Å; E703-T705 VanDerWaalsContact O-N 3.16Å; E703-D706 PolarHBondContact N-OD2 3.03Å; E703-D706 WeakPolarHBondContact O-CB 3.42Å; E703-D706 PolarHBondContact O-N 3.27Å
704	S	90.6	Very high	92.1	Very high	60 Å²	60	63.2 Å²	63.2	42%	0.42	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.4	-174.1	58.4	0	0	0	0	114	I663	I663-S704 WeakPolarHBondContact CD1-O 3.4Å; I663-S704 WeakPolarHBondContact CG1-O 3.42Å; I663-S704 PolarHBondContact N-O 3.31Å
705	T	92.4	Very high	91.8	Very high	108 Å²	108	66.1 Å²	66.1	66%	0.663	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.6	176.8	54.2	0	0	0	0	114.5	E703	E703-T705 PolarHBondContact O-N 3.28Å; E703-T705 VanDerWaalsContact O-N 3.16Å
706	D	96.5	Very high	91.4	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.011	35%	0.346	C	S	.	.			trans	-63.6	138.2	-178.8	-81.9	-41.2	0	0	0	112.2	S661 F662 K695 P697 I702 E703 F708	S661-D706 CarbonylContact C-O 3.54Å; S661-D706 VanDerWaalsContact CA-O 3.26Å; S661-D706 WeakPolarHBondContact CA-O 3.28Å; F662-D706 PolarHBondContact N-O 3.5Å; K695-D706 HydrophobicContact CD-CB 4.2Å; K695-D706 WeakPolarHBondContact CD-OD2 3.49Å; K695-D706 HydrophobicContact CG-CB 4.1Å; K695-D706 IonicContact NZ-OD1 3.41Å; K695-D706 PolarHBondContact NZ-OD1 3.12Å; K695-D706 IonicContact NZ-OD2 3.12Å; K695-D706 PolarHBondContact NZ-OD2 2.88Å; P697-D706 VanDerWaalsContact CD-OD1 3.25Å; P697-D706 WeakPolarHBondContact CD-OD1 3.33Å; I702-D706 WeakPolarHBondContact CA-OD2 3.36Å; E703-D706 PolarHBondContact N-OD2 3.03Å; E703-D706 WeakPolarHBondContact O-CB 3.42Å; E703-D706 PolarHBondContact O-N 3.27Å; D706-F708 HydrophobicContact CB-CE2 3.77Å; D706-F708 HydrophobicContact CB-CZ 4.12Å
707	V	97.1	Very high	91.1	Very high	37 Å²	37	72 Å²	72	22%	0.224	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.8	177.2	-176.8	0	0	0	0	110.9	R659 K695 E696	R659-V707 HydrophobicContact CB-CG1 4.26Å; K695-V707 CarbonylContact C-O 3.57Å; K695-V707 WeakPolarHBondContact CA-O 3.36Å; E696-V707 PolarHBondContact N-O 3.39Å; E696-V707 PolarHBondContact O-N 3.01Å
708	F	97.5	Very high	90.9	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.6	179.1	-62.5	-91.5	0	0	0	110.7	F654 R659 Y660 F662 L665 L680 A684 C694 K695 I702 D706	F654-F708 WeakPolarHBondContact CE1-O 3.27Å; F654-F708 HydrophobicContact CZ-CB 4.07Å; R659-F708 WeakPolarHBondContact CA-O 3.27Å; Y660-F708 PolarHBondContact N-O 2.95Å; Y660-F708 PolarHBondContact O-N 3.29Å; F662-F708 HydrophobicContact CB-CE2 4.27Å; L665-F708 HydrophobicContact CD1-CD2 4.33Å; L680-F708 HydrophobicContact CB-CE1 4.03Å; L680-F708 HydrophobicContact CB-CZ 4.22Å; L680-F708 HydrophobicContact CD1-CD2 4.29Å; L680-F708 HydrophobicContact CD1-CE1 4.38Å; L680-F708 HydrophobicContact CD1-CE2 3.94Å; L680-F708 HydrophobicContact CD1-CZ 3.99Å; L680-F708 HydrophobicContact CD2-CD1 3.98Å; L680-F708 HydrophobicContact CD2-CE1 4.19Å; L680-F708 HydrophobicContact CD2-CG 4.15Å; L680-F708 HydrophobicContact CG-CE1 4.44Å; A684-F708 HydrophobicContact CB-CD1 4.09Å; A684-F708 HydrophobicContact CB-CE1 4.04Å; C694-F708 WeakPolarHBondContact O-CA 3.21Å; K695-F708 HydrophobicContact CB-CD1 4.15Å; K695-F708 HydrophobicContact CB-CE1 3.85Å; K695-F708 HydrophobicContact CB-CZ 4.49Å; K695-F708 HydrophobicContact CD-CE1 3.68Å; K695-F708 HydrophobicContact CD-CZ 3.61Å; K695-F708 HydrophobicContact CG-CD1 4.14Å; K695-F708 HydrophobicContact CG-CE1 3.56Å; K695-F708 HydrophobicContact CG-CE2 4.41Å; K695-F708 HydrophobicContact CG-CZ 3.7Å; I702-F708 HydrophobicContact CD1-CE1 4.17Å; I702-F708 HydrophobicContact CD1-CZ 3.86Å; I702-F708 HydrophobicContact CG1-CZ 4.15Å; I702-F708 HydrophobicContact CG2-CE2 4.24Å; I702-F708 HydrophobicContact CG2-CZ 3.8Å; D706-F708 HydrophobicContact CB-CE2 3.77Å; D706-F708 HydrophobicContact CB-CZ 4.12Å
709	Y	95.3	Very high	90.9	Very high	64 Å²	64	71.6 Å²	71.6	25%	0.251	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162.2	179.3	64.3	-85.6	0	0	0	111.5	N658 L693 C694 E696	N658-Y709 WeakPolarHBondContact O-CA 3.42Å; N658-Y709 VanDerWaalsContact O-CB 3.28Å; N658-Y709 WeakPolarHBondContact O-CB 3.36Å; L693-Y709 CarbonylContact C-O 3.54Å; L693-Y709 VanDerWaalsContact CA-O 3.28Å; L693-Y709 WeakPolarHBondContact CA-O 3.35Å; C694-Y709 HydrophobicContact CB-CD1 3.92Å; C694-Y709 HydrophobicContact CB-CD2 3.95Å; C694-Y709 HydrophobicContact CB-CE1 3.51Å; C694-Y709 HydrophobicContact CB-CE2 3.56Å; C694-Y709 HydrophobicContact CB-CG 4.12Å; C694-Y709 PolarHBondContact N-O 2.71Å; C694-Y709 PolarHBondContact O-N 3.07Å; E696-Y709 HydrophobicContact CB-CE1 4.26Å
710	V	94.4	Very high	90.8	Very high	41 Å²	41	73.6 Å²	73.6	25%	0.248	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.5	-178.1	-179.3	0	0	0	0	111.2	F562 F654 L693 D712	F562-V710 HydrophobicContact CD1-CG1 4.24Å; F562-V710 HydrophobicContact CE1-CG1 4.1Å; F654-V710 HydrophobicContact CB-CG2 3.71Å; F654-V710 HydrophobicContact CD1-CG2 3.95Å; F654-V710 HydrophobicContact CG-CG2 3.94Å; L693-V710 HydrophobicContact CD2-CG2 4.47Å; V710-D712 PolarHBondContact O-N 2.7Å
711	N	92.8	Very high	91.1	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.15	33%	0.33	C	S	.	.			trans	-85.3	83.1	174	-178	11.6	0	0	0	111.2	F562 R691 I692 S713 F714	F562-N711 WeakPolarHBondContact CD1-O 3.44Å; R691-N711 WeakPolarHBondContact O-CB 3.32Å; R691-N711 PolarHBondContact O-ND2 2.9Å; I692-N711 WeakPolarHBondContact O-CB 3.46Å; I692-N711 PolarHBondContact O-N 3.4Å; N711-S713 PolarHBondContact O-N 2.62Å; N711-S713 WeakPolarHBondContact OD1-CA 3.45Å; N711-S713 WeakPolarHBondContact OD1-CB 3.25Å; N711-S713 PolarHBondContact OD1-N 3.35Å; N711-S713 VanDerWaalsContact OD1-N 3.15Å; N711-F714 HydrophobicContact CB-CB 4.38Å; N711-F714 WeakPolarHBondContact O-CB 3.34Å; N711-F714 PolarHBondContact O-N 2.84Å; N711-F714 PolarHBondContact OD1-N 3.02Å
712	D	88.3	Confident	91.1	Very high	62 Å²	62	64.6 Å²	64.6	33%	0.332	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.9	174.8	-65.7	-57.8	0	0	0	114.1	G564 V710 F714	G564-D712 WeakPolarHBondContact CA-O 3.15Å; V710-D712 PolarHBondContact O-N 2.7Å; D712-F714 VanDerWaalsContact C-N 3.31Å
713	S	87.2	Confident	90.9	Very high	54 Å²	54	64.8 Å²	64.8	38%	0.378	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	5.4	173.9	-52.4	0	0	0	0	113	R565 N711	R565-S713 PolarHBondContact NE-OG 3.29Å; R565-S713 PolarHBondContact NH2-OG 2.81Å; N711-S713 PolarHBondContact O-N 2.62Å; N711-S713 WeakPolarHBondContact OD1-CA 3.45Å; N711-S713 WeakPolarHBondContact OD1-CB 3.25Å; N711-S713 PolarHBondContact OD1-N 3.35Å; N711-S713 VanDerWaalsContact OD1-N 3.15Å
714	F	89.8	Confident	89.9	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.009	33%	0.33	C	S	.	.			trans	-61.1	138.5	-177.7	-178	-106.1	0	0	0	113.3	F562 R637 Y639 S689 R691 I692 N711 D712 V721	F562-F714 HydrophobicContact CD1-CB 4Å; F562-F714 HydrophobicContact CD2-CD1 4.38Å; F562-F714 HydrophobicContact CE1-CB 3.76Å; F562-F714 HydrophobicContact CE1-CD1 4.14Å; F562-F714 HydrophobicContact CE1-CG 4.18Å; F562-F714 AromaticContact CE2-CD1 3.87Å; F562-F714 HydrophobicContact CE2-CD1 3.87Å; F562-F714 HydrophobicContact CE2-CE1 4.45Å; F562-F714 HydrophobicContact CZ-CB 4.23Å; F562-F714 AromaticContact CZ-CD1 3.72Å; F562-F714 HydrophobicContact CZ-CD1 3.72Å; F562-F714 HydrophobicContact CZ-CE1 4.44Å; F562-F714 HydrophobicContact CZ-CG 4.15Å; R637-F714 PolarHBondContact NH1-O 3.15Å; Y639-F714 AromaticContact CD2-CD1 3.9Å; Y639-F714 HydrophobicContact CD2-CD1 3.9Å; Y639-F714 AromaticContact CD2-CE1 3.81Å; Y639-F714 HydrophobicContact CD2-CE1 3.81Å; Y639-F714 AromaticContact CE2-CD1 3.77Å; Y639-F714 HydrophobicContact CE2-CD1 3.77Å; Y639-F714 AromaticContact CE2-CE1 3.86Å; Y639-F714 HydrophobicContact CE2-CE1 3.86Å; Y639-F714 HydrophobicContact CG-CE1 4.19Å; S689-F714 WeakPolarHBondContact O-CZ 3.4Å; R691-F714 WeakPolarHBondContact O-CD2 3.23Å; I692-F714 HydrophobicContact CD1-CD1 4.35Å; I692-F714 HydrophobicContact CD1-CD2 4.28Å; I692-F714 HydrophobicContact CD1-CE1 3.95Å; I692-F714 HydrophobicContact CD1-CE2 3.87Å; I692-F714 HydrophobicContact CD1-CZ 3.7Å; N711-F714 HydrophobicContact CB-CB 4.38Å; N711-F714 WeakPolarHBondContact O-CB 3.34Å; N711-F714 PolarHBondContact O-N 2.84Å; N711-F714 PolarHBondContact OD1-N 3.02Å; D712-F714 VanDerWaalsContact C-N 3.31Å; F714-V721 HydrophobicContact CE1-CG2 4.38Å; F714-V721 HydrophobicContact CZ-CG1 4.27Å; F714-V721 HydrophobicContact CZ-CG2 4.26Å
715	V	87.3	Confident	88.6	Confident	88 Å²	88	63.9 Å²	63.9	53%	0.533	33%	0.33	S	S	.	.			trans	-144.2	133.5	173.3	-171.2	0	0	0	0	109
716	S	87.9	Confident	86.9	Confident	17 Å²	17	63.2 Å²	63.2	12%	0.119	32%	0.321	C	S	.	.			trans	-124.5	145.7	168.5	167.3	0	0	0	0	110.7	Y639 H718 V721	Y639-S716 PolarHBondContact OH-N 3.36Å; Y639-S716 VanDerWaalsContact OH-N 3.07Å; Y639-S716 PolarHBondContact OH-O 3.13Å; S716-H718 WeakPolarHBondContact CB-O 3.35Å; S716-H718 PolarHBondContact O-N 3.39Å; S716-H718 PolarHBondContact OG-N 2.99Å; S716-H718 PolarHBondContact OG-O 2.97Å; S716-V721 WeakPolarHBondContact OG-CG2 3.4Å
717	K	87.8	Confident	84.5	Confident	206 Å²	206	68.6 Å²	68.6	90%	0.896	35%	0.354	S	S	*	.	S	Bend	trans	-69.6	-15.4	170.1	-67.9	-171.9	175.8	-173.7	0	113.3
718	H	87.2	Confident	82.1	Confident	134 Å²	134	70.3 Å²	70.3	62%	0.62	36%	0.364	S	S	*	.	S	Bend	trans	-121.5	135	-179.3	-53.4	-68	0	0	0	110.2	Y639 S716 K720 V721	Y639-H718 WeakPolarHBondContact CD1-O 3.47Å; S716-H718 WeakPolarHBondContact CB-O 3.35Å; S716-H718 PolarHBondContact O-N 3.39Å; S716-H718 PolarHBondContact OG-N 2.99Å; S716-H718 PolarHBondContact OG-O 2.97Å; H718-K720 VanDerWaalsContact C-N 3.34Å; H718-K720 WeakPolarHBondContact CB-O 3.33Å; H718-V721 WeakPolarHBondContact O-CG2 3.21Å
719	I	89.7	Confident	80.1	Confident	118 Å²	118	79.1 Å²	79.1	61%	0.605	40%	0.403	S	S	*	.	S	Bend	trans	-64.6	-40.3	176.6	-58.4	174.3	0	0	0	110.3	Y639 F640	Y639-I719 CarbonylContact C-O 3.53Å; Y639-I719 VanDerWaalsContact CA-O 3.31Å; Y639-I719 WeakPolarHBondContact CA-O 3.46Å; F640-I719 HydrophobicContact CD2-CG2 4.16Å; F640-I719 PolarHBondContact N-O 3.45Å
720	K	89.9	Confident	78.5	Confident	109 Å²	109	77.1 Å²	77.1	47%	0.474	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114	171	-172.7	159.4	174.7	161.7	0	110	E557 F640 H718	E557-K720 WeakPolarHBondContact OE1-CE 3.42Å; E557-K720 IonicContact OE1-NZ 2.72Å; E557-K720 PolarHBondContact OE1-NZ 2.98Å; E557-K720 VanDerWaalsContact OE2-CE 3.23Å; E557-K720 WeakPolarHBondContact OE2-CE 3.31Å; E557-K720 IonicContact OE2-NZ 3.32Å; E557-K720 PolarHBondContact OE2-NZ 3.03Å; F640-K720 HydrophobicContact CB-CB 4.45Å; F640-K720 HydrophobicContact CB-CG 4.39Å; F640-K720 CarbonylContact O-C 3.53Å; F640-K720 WeakPolarHBondContact O-CA 3.39Å; H718-K720 VanDerWaalsContact C-N 3.34Å; H718-K720 WeakPolarHBondContact CB-O 3.33Å
721	V	90.7	Very high	77.2	Confident	7 Å²	7	76 Å²	76	4%	0.042	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.8	-177.8	-177	0	0	0	0	108.8	Y639 F640 L641 Q642 F714 S716 H718 V723	Y639-V721 HydrophobicContact CD1-CG2 3.98Å; Y639-V721 HydrophobicContact CG-CG2 4.39Å; F640-V721 PolarHBondContact O-N 2.99Å; L641-V721 CarbonylContact C-O 3.53Å; L641-V721 WeakPolarHBondContact CA-O 3.49Å; L641-V721 HydrophobicContact CD2-CB 3.84Å; L641-V721 HydrophobicContact CD2-CG1 4.4Å; L641-V721 HydrophobicContact CD2-CG2 4.27Å; Q642-V721 PolarHBondContact N-O 3.3Å; F714-V721 HydrophobicContact CE1-CG2 4.38Å; F714-V721 HydrophobicContact CZ-CG1 4.27Å; F714-V721 HydrophobicContact CZ-CG2 4.26Å; S716-V721 WeakPolarHBondContact OG-CG2 3.4Å; H718-V721 WeakPolarHBondContact O-CG2 3.21Å; V721-V723 PolarHBondContact O-N 3.44Å
722	R	88.1	Confident	76.4	Confident	119 Å²	119	80.3 Å²	80.3	45%	0.449	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	105.7	171.2	-168.8	172.2	-165.1	164.4	10.5	109.3	Q642 Q690 Q724	Q642-R722 HydrophobicContact CB-CB 4.42Å; Q642-R722 HydrophobicContact CB-CG 4.26Å; Q642-R722 HydrophobicContact CG-CG 4.38Å; Q642-R722 VanDerWaalsContact OE1-NE 3.1Å; Q690-R722 PolarHBondContact NE2-O 3.02Å; R722-Q724 HydrophobicContact CG-CG 4.37Å; R722-Q724 PolarHBondContact O-N 3.31Å; R722-Q724 VanDerWaalsContact O-N 3.15Å
723	V	85.9	Confident	75.9	Confident	6 Å²	6	81.2 Å²	81.2	4%	0.036	42%	0.419	C	S	.	.			trans	-73.3	103.8	168.7	-175.8	0	0	0	0	106.5	Q642 V643 L683 I692 V721 G725	Q642-V723 PolarHBondContact O-N 3.34Å; V643-V723 HydrophobicContact CG1-CB 4.1Å; V643-V723 HydrophobicContact CG1-CG2 3.92Å; L683-V723 HydrophobicContact CD2-CG1 4.06Å; L683-V723 HydrophobicContact CD2-CG2 4.48Å; I692-V723 HydrophobicContact CG1-CG2 4.08Å; V721-V723 PolarHBondContact O-N 3.44Å; V723-G725 PolarHBondContact O-N 3.46Å
724	Q	71.2	Confident	75.4	Confident	99 Å²	99	80.5 Å²	80.5	46%	0.463	41%	0.409	S	S	.	.			trans	-77.6	120.5	175.5	-65.2	-176.2	5.8	0	0	107.9	R722	R722-Q724 HydrophobicContact CG-CG 4.37Å; R722-Q724 PolarHBondContact O-N 3.31Å; R722-Q724 VanDerWaalsContact O-N 3.15Å
725	G	64.5	Low	75.1	Confident	41 Å²	41	81.5 Å²	81.5	42%	0.423	41%	0.413	S	S	.	.			trans	-55.4	149.1	161.1	0	0	0	0	0	109.7	V723 T727	V723-G725 PolarHBondContact O-N 3.46Å; G725-T727 PolarHBondContact O-N 3.33Å
726	I	55.7	Low	75.1	Confident	93 Å²	93	82 Å²	82	48%	0.477	41%	0.409	S	S	.	.			trans	-57.7	112.6	-174.2	-59.6	173.9	0	0	0	109.2	M681 A682 V728	M681-I726 HydrophobicContact CB-CD1 3.67Å; M681-I726 HydrophobicContact SD-CD1 4.33Å; A682-I726 HydrophobicContact CB-CG1 4.4Å; I726-V728 HydrophobicContact CG2-CG2 4.12Å; I726-V728 WeakPolarHBondContact O-CG2 3.37Å; I726-V728 PolarHBondContact O-N 3.11Å
727	T	46.5	Very low	75.1	Confident	115 Å²	115	84.2 Å²	84.2	71%	0.706	42%	0.418	S	S	*	.			trans	-74.1	74.5	175.4	17.5	0	0	0	0	109.9	G725 K729	G725-T727 PolarHBondContact O-N 3.33Å; T727-K729 PolarHBondContact O-N 3.06Å
728	V	45.8	Very low	75.1	Confident	73 Å²	73	75 Å²	75	44%	0.442	38%	0.379	S	S	.	.			trans	-59.7	121.8	166.5	-153.5	0	0	0	0	106.9	I726	I726-V728 HydrophobicContact CG2-CG2 4.12Å; I726-V728 WeakPolarHBondContact O-CG2 3.37Å; I726-V728 PolarHBondContact O-N 3.11Å
729	K	55.9	Low	75.3	Confident	186 Å²	186	71 Å²	71	81%	0.809	36%	0.359	S	S	*	.			trans	-50.6	141.3	158.8	-74.6	-178.5	174.9	-179	0	106.9	T727 S731	T727-K729 PolarHBondContact O-N 3.06Å; K729-S731 WeakPolarHBondContact O-CA 3.25Å; K729-S731 PolarHBondContact O-N 2.98Å
730	E	61.3	Low	75.4	Confident	21 Å²	21	68.3 Å²	68.3	10%	0.098	35%	0.348	C	S	.	.	S	Bend	trans	-47	110.9	-168.7	-173.6	142	-68.3	0	0	111.6	K434 K438 E734	K434-E730 WeakPolarHBondContact CD-OE2 3.44Å; K434-E730 VanDerWaalsContact CE-OE1 3.22Å; K434-E730 WeakPolarHBondContact CE-OE1 3.39Å; K434-E730 WeakPolarHBondContact CE-OE2 3.21Å; K434-E730 IonicContact NZ-OE1 3.83Å; K434-E730 PolarHBondContact NZ-OE1 3.42Å; K434-E730 VanDerWaalsContact NZ-OE1 3.1Å; K434-E730 IonicContact NZ-OE2 3.52Å; K434-E730 PolarHBondContact NZ-OE2 2.93Å; K438-E730 IonicContact NZ-OE1 3.58Å; K438-E730 PolarHBondContact NZ-OE1 3.25Å; E730-E734 HydrophobicContact CG-CB 4.03Å
731	S	67	Low	75.4	Confident	19 Å²	19	66.9 Å²	66.9	13%	0.133	34%	0.341	C	S	.	.			trans	-73.4	152.5	-161.4	62.2	0	0	0	0	111.5	K729 P733 E734 R735	K729-S731 WeakPolarHBondContact O-CA 3.25Å; K729-S731 PolarHBondContact O-N 2.98Å; S731-P733 VanDerWaalsContact C-CD 3.47Å; S731-P733 VanDerWaalsContact C-N 3.3Å; S731-E734 CarbonylContact O-C 3.56Å; S731-E734 WeakPolarHBondContact O-CA 3.28Å; S731-E734 VanDerWaalsContact O-CB 3.24Å; S731-E734 WeakPolarHBondContact O-CB 3.31Å; S731-E734 PolarHBondContact O-N 3.02Å; S731-E734 PolarHBondContact OG-OE1 3.42Å; S731-R735 PolarHBondContact O-N 3.18Å
732	E	76.6	Confident	75.5	Confident	117 Å²	117	67.1 Å²	67.1	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-52.5	-41.7	-177	-148.7	60.5	-123.2	0	0	113.7	E734 R735 Q736	E732-E734 VanDerWaalsContact C-N 3.33Å; E732-E734 PolarHBondContact O-N 3.14Å; E732-R735 PolarHBondContact O-N 2.95Å; E732-R735 IonicContact OE1-CZ 3.76Å; E732-R735 IonicContact OE1-NE 3.6Å; E732-R735 IonicContact OE1-NH1 2.72Å; E732-R735 PolarHBondContact OE1-NH1 3.03Å; E732-R735 IonicContact OE2-CZ 3.41Å; E732-R735 IonicContact OE2-NH1 3.98Å; E732-R735 PolarHBondContact OE2-NH1 3.42Å; E732-Q736 WeakPolarHBondContact O-CB 3.48Å; E732-Q736 PolarHBondContact O-N 3.47Å
733	P	77.6	Confident	75.6	Confident	82 Å²	82	64.7 Å²	64.7	53%	0.532	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-35.8	172.7	-23.5	35.7	0	0	0	113.7	S731 E737	S731-P733 VanDerWaalsContact C-CD 3.47Å; S731-P733 VanDerWaalsContact C-N 3.3Å; P733-E737 VanDerWaalsContact O-CB 3.3Å; P733-E737 WeakPolarHBondContact O-CB 3.36Å; P733-E737 PolarHBondContact O-N 3.48Å
734	E	76.9	Confident	75.9	Confident	39 Å²	39	68.3 Å²	68.3	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-71	-32.3	175.9	-105.6	-176.7	-88.1	0	0	112.9	K434 K438 E730 S731 E732 T738	K434-E734 WeakPolarHBondContact CE-OE2 3.47Å; K434-E734 PolarHBondContact NZ-O 3.38Å; K434-E734 VanDerWaalsContact NZ-O 3.14Å; K434-E734 IonicContact NZ-OE2 2.74Å; K434-E734 PolarHBondContact NZ-OE2 3.26Å; K434-E734 VanDerWaalsContact NZ-OE2 3.16Å; K438-E734 IonicContact NZ-OE2 3.67Å; K438-E734 PolarHBondContact NZ-OE2 2.89Å; E730-E734 HydrophobicContact CG-CB 4.03Å; S731-E734 CarbonylContact O-C 3.56Å; S731-E734 WeakPolarHBondContact O-CA 3.28Å; S731-E734 VanDerWaalsContact O-CB 3.24Å; S731-E734 WeakPolarHBondContact O-CB 3.31Å; S731-E734 PolarHBondContact O-N 3.02Å; S731-E734 PolarHBondContact OG-OE1 3.42Å; E732-E734 VanDerWaalsContact C-N 3.33Å; E732-E734 PolarHBondContact O-N 3.14Å; E734-T738 PolarHBondContact O-N 3.12Å; E734-T738 PolarHBondContact O-OG1 2.92Å
735	R	84.6	Confident	76.9	Confident	22 Å²	22	68.1 Å²	68.1	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-71.9	-47.5	173.6	-171.6	-174.7	-65.1	122.9	12.3	110.2	R383 E386 Y431 S731 E732 E737 T738 R739	R383-R735 VanDerWaalsContact NH2-NH2 3.17Å; E386-R735 IonicContact OE1-CZ 2.68Å; E386-R735 IonicContact OE1-NE 3.28Å; E386-R735 PolarHBondContact OE1-NE 3.3Å; E386-R735 IonicContact OE1-NH2 3.66Å; E386-R735 PolarHBondContact OE1-NH2 3.43Å; E386-R735 IonicContact OE2-CZ 3.77Å; E386-R735 IonicContact OE2-NE 2.69Å; E386-R735 PolarHBondContact OE2-NE 2.73Å; E386-R735 IonicContact OE2-NH2 3.07Å; Y431-R735 HydrophobicContact CE1-CG 4.07Å; Y431-R735 WeakPolarHBondContact OH-CG 3.41Å; S731-R735 PolarHBondContact O-N 3.18Å; E732-R735 PolarHBondContact O-N 2.95Å; E732-R735 IonicContact OE1-CZ 3.76Å; E732-R735 IonicContact OE1-NE 3.6Å; E732-R735 IonicContact OE1-NH1 2.72Å; E732-R735 PolarHBondContact OE1-NH1 3.03Å; E732-R735 IonicContact OE2-CZ 3.41Å; E732-R735 IonicContact OE2-NH1 3.98Å; E732-R735 PolarHBondContact OE2-NH1 3.42Å; R735-E737 VanDerWaalsContact C-N 3.35Å; R735-E737 PolarHBondContact O-N 3.25Å; R735-T738 WeakPolarHBondContact O-CB 3.49Å; R735-T738 PolarHBondContact O-N 3Å; R735-T738 VanDerWaalsContact O-N 3.1Å; R735-R739 PolarHBondContact O-N 2.97Å
736	Q	86.8	Confident	78.3	Confident	99 Å²	99	67.2 Å²	67.2	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-41	177.3	-173.8	55.7	43.9	0	0	111.7	E732 T738 R739 T740	E732-Q736 WeakPolarHBondContact O-CB 3.48Å; E732-Q736 PolarHBondContact O-N 3.47Å; Q736-T738 VanDerWaalsContact C-N 3.25Å; Q736-T738 PolarHBondContact O-N 2.96Å; Q736-R739 PolarHBondContact O-N 2.85Å; Q736-T740 PolarHBondContact NE2-OG1 2.98Å; Q736-T740 WeakPolarHBondContact O-CB 3.46Å; Q736-T740 PolarHBondContact O-N 3.47Å; Q736-T740 PolarHBondContact O-OG1 2.97Å
737	E	87.7	Confident	80.2	Confident	63 Å²	63	67.3 Å²	67.3	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-56.1	-41.7	172.4	-172.8	-162.9	148.9	0	0	111.9	Q515 P733 R735 K741	Q515-E737 PolarHBondContact NE2-OE1 3.12Å; Q515-E737 PolarHBondContact NE2-OE2 3.46Å; Q515-E737 VanDerWaalsContact NE2-OE2 3.12Å; P733-E737 VanDerWaalsContact O-CB 3.3Å; P733-E737 WeakPolarHBondContact O-CB 3.36Å; P733-E737 PolarHBondContact O-N 3.48Å; R735-E737 VanDerWaalsContact C-N 3.35Å; R735-E737 PolarHBondContact O-N 3.25Å; E737-K741 HydrophobicContact CG-CD 4.21Å; E737-K741 WeakPolarHBondContact O-CB 3.28Å; E737-K741 WeakPolarHBondContact O-CG 3.45Å; E737-K741 PolarHBondContact O-N 3.08Å; E737-K741 WeakPolarHBondContact OE1-CE 3.44Å; E737-K741 IonicContact OE1-NZ 2.87Å; E737-K741 PolarHBondContact OE1-NZ 3.23Å
738	T	87.9	Confident	82.4	Confident	14 Å²	14	68.8 Å²	68.8	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-43.1	179.8	-54.3	0	0	0	0	111.2	Y431 K434 E734 R735 Q736 K741 V742	Y431-T738 HydrophobicContact CD1-CG2 3.89Å; Y431-T738 HydrophobicContact CE1-CG2 3.77Å; Y431-T738 HydrophobicContact CG-CG2 4.49Å; K434-T738 PolarHBondContact NZ-OG1 3.17Å; E734-T738 PolarHBondContact O-N 3.12Å; E734-T738 PolarHBondContact O-OG1 2.92Å; R735-T738 WeakPolarHBondContact O-CB 3.49Å; R735-T738 PolarHBondContact O-N 3Å; R735-T738 VanDerWaalsContact O-N 3.1Å; Q736-T738 VanDerWaalsContact C-N 3.25Å; Q736-T738 PolarHBondContact O-N 2.96Å; T738-K741 PolarHBondContact O-N 3.46Å; T738-V742 WeakPolarHBondContact O-CG2 3.32Å; T738-V742 PolarHBondContact O-N 3.24Å; T738-V742 VanDerWaalsContact O-N 3.08Å
739	R	90.4	Very high	84.7	Confident	49 Å²	49	67.9 Å²	67.9	19%	0.185	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-55	173	-71.5	-178.4	179	-84.5	-6.8	111.7	P382 L427 R735 Q736 K741 V742 D743	P382-R739 PolarHBondContact O-NH2 3.4Å; L427-R739 HydrophobicContact CD1-CG 4.12Å; R735-R739 PolarHBondContact O-N 2.97Å; Q736-R739 PolarHBondContact O-N 2.85Å; R739-K741 VanDerWaalsContact C-N 3.31Å; R739-K741 PolarHBondContact O-N 3.15Å; R739-V742 WeakPolarHBondContact O-CA 3.28Å; R739-V742 WeakPolarHBondContact O-CB 3.44Å; R739-V742 PolarHBondContact O-N 2.89Å; R739-D743 PolarHBondContact O-N 3.21Å
740	T	91.6	Very high	86.7	Confident	61 Å²	61	59.1 Å²	59.1	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-52.3	-50.2	178.1	-59.9	0	0	0	0	110.6	Q736 V742 D743 E744	Q736-T740 PolarHBondContact NE2-OG1 2.98Å; Q736-T740 WeakPolarHBondContact O-CB 3.46Å; Q736-T740 PolarHBondContact O-N 3.47Å; Q736-T740 PolarHBondContact O-OG1 2.97Å; T740-V742 VanDerWaalsContact C-N 3.29Å; T740-V742 PolarHBondContact O-N 3.09Å; T740-D743 PolarHBondContact O-N 2.79Å; T740-D743 VanDerWaalsContact O-N 3.15Å; T740-E744 HydrophobicContact CG2-CG 4.28Å; T740-E744 VanDerWaalsContact O-CG 3.28Å; T740-E744 WeakPolarHBondContact O-CG 3.47Å; T740-E744 PolarHBondContact O-N 2.99Å
741	K	90.4	Very high	88.4	Confident	79 Å²	79	59.1 Å²	59.1	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-33	178.2	-77.6	176.2	173.3	176.8	0	113.7	E737 T738 R739 N745	E737-K741 HydrophobicContact CG-CD 4.21Å; E737-K741 WeakPolarHBondContact O-CB 3.28Å; E737-K741 WeakPolarHBondContact O-CG 3.45Å; E737-K741 PolarHBondContact O-N 3.08Å; E737-K741 WeakPolarHBondContact OE1-CE 3.44Å; E737-K741 IonicContact OE1-NZ 2.87Å; E737-K741 PolarHBondContact OE1-NZ 3.23Å; T738-K741 PolarHBondContact O-N 3.46Å; R739-K741 VanDerWaalsContact C-N 3.31Å; R739-K741 PolarHBondContact O-N 3.15Å; K741-N745 PolarHBondContact O-N 3.09Å; K741-N745 PolarHBondContact O-ND2 2.92Å
742	V	92.5	Very high	89.7	Confident	13 Å²	13	60.5 Å²	60.5	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-49.2	173.5	168.9	0	0	0	0	110	D426 L427 T738 R739 T740 E744 N745 R746	D426-V742 HydrophobicContact CB-CG1 4.47Å; L427-V742 HydrophobicContact CB-CG1 4.43Å; L427-V742 HydrophobicContact CD1-CB 4.37Å; L427-V742 HydrophobicContact CD1-CG2 4.09Å; T738-V742 WeakPolarHBondContact O-CG2 3.32Å; T738-V742 PolarHBondContact O-N 3.24Å; T738-V742 VanDerWaalsContact O-N 3.08Å; R739-V742 WeakPolarHBondContact O-CA 3.28Å; R739-V742 WeakPolarHBondContact O-CB 3.44Å; R739-V742 PolarHBondContact O-N 2.89Å; T740-V742 VanDerWaalsContact C-N 3.29Å; T740-V742 PolarHBondContact O-N 3.09Å; V742-E744 VanDerWaalsContact C-N 3.31Å; V742-E744 PolarHBondContact O-N 2.85Å; V742-N745 WeakPolarHBondContact O-CA 3.28Å; V742-N745 WeakPolarHBondContact O-CB 3.41Å; V742-N745 PolarHBondContact O-N 2.72Å; V742-R746 HydrophobicContact CG1-CG 4.44Å; V742-R746 WeakPolarHBondContact O-CG 3.37Å; V742-R746 PolarHBondContact O-N 3.1Å
743	D	91.3	Very high	90.7	Very high	68 Å²	68	55.1 Å²	55.1	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-34.6	178.4	-65.7	-42.8	0	0	0	113.2	R739 T740 R746 R747	R739-D743 PolarHBondContact O-N 3.21Å; T740-D743 PolarHBondContact O-N 2.79Å; T740-D743 VanDerWaalsContact O-N 3.15Å; D743-R746 WeakPolarHBondContact O-CB 3.29Å; D743-R746 PolarHBondContact O-N 3Å; D743-R746 WeakPolarHBondContact OD1-CD 3.33Å; D743-R746 IonicContact OD1-CZ 2.94Å; D743-R746 IonicContact OD1-NE 2.61Å; D743-R746 IonicContact OD1-NH1 2.69Å; D743-R746 PolarHBondContact OD1-NH1 2.98Å; D743-R747 PolarHBondContact O-N 3.26Å
744	E	91.7	Very high	91.6	Very high	82 Å²	82	51.2 Å²	51.2	38%	0.383	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-42.5	171.7	-65.7	-151.1	109.8	0	0	112.2	T740 V742 R747 Y748	T740-E744 HydrophobicContact CG2-CG 4.28Å; T740-E744 VanDerWaalsContact O-CG 3.28Å; T740-E744 WeakPolarHBondContact O-CG 3.47Å; T740-E744 PolarHBondContact O-N 2.99Å; V742-E744 VanDerWaalsContact C-N 3.31Å; V742-E744 PolarHBondContact O-N 2.85Å; E744-R747 VanDerWaalsContact CG-NH2 3.32Å; E744-R747 PolarHBondContact O-N 2.84Å; E744-R747 IonicContact OE1-CZ 2.63Å; E744-R747 IonicContact OE1-NH1 3.02Å; E744-R747 IonicContact OE1-NH2 2.7Å; E744-R747 PolarHBondContact OE1-NH2 2.83Å; E744-Y748 WeakPolarHBondContact O-CD2 3.39Å; E744-Y748 WeakPolarHBondContact O-CE2 3.49Å
745	N	91.7	Very high	92.6	Very high	95 Å²	95	52 Å²	52	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-37.8	175.2	-81.6	-75.2	0	0	0	112.1	K741 V742 R747 Y748 V749	K741-N745 PolarHBondContact O-N 3.09Å; K741-N745 PolarHBondContact O-ND2 2.92Å; V742-N745 WeakPolarHBondContact O-CA 3.28Å; V742-N745 WeakPolarHBondContact O-CB 3.41Å; V742-N745 PolarHBondContact O-N 2.72Å; N745-R747 VanDerWaalsContact C-N 3.27Å; N745-R747 PolarHBondContact O-N 2.86Å; N745-Y748 PolarHBondContact O-N 2.92Å; N745-V749 WeakPolarHBondContact O-CG2 3.38Å; N745-V749 PolarHBondContact O-N 3.01Å
746	R	94.8	Very high	93.1	Very high	21 Å²	21	57.4 Å²	57.4	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-55.6	-40.6	176.2	-71.8	175	175.7	173.7	-13.5	111.9	E424 D426 V742 D743 Y748 V749 I750 F781	E424-R746 IonicContact OE1-CZ 3.66Å; E424-R746 VanDerWaalsContact OE1-CZ 3.22Å; E424-R746 IonicContact OE1-NH1 2.68Å; E424-R746 PolarHBondContact OE1-NH1 3.35Å; E424-R746 IonicContact OE1-NH2 2.97Å; E424-R746 PolarHBondContact OE1-NH2 3.39Å; D426-R746 IonicContact OD1-CZ 3.65Å; D426-R746 IonicContact OD1-NE 3.87Å; D426-R746 PolarHBondContact OD1-NE 2.87Å; D426-R746 IonicContact OD1-NH2 3.66Å; D426-R746 PolarHBondContact OD1-NH2 3.33Å; D426-R746 VanDerWaalsContact OD2-CG 3.3Å; D426-R746 WeakPolarHBondContact OD2-CG 3.46Å; D426-R746 IonicContact OD2-CZ 3.88Å; D426-R746 IonicContact OD2-NE 2.69Å; D426-R746 PolarHBondContact OD2-NE 2.88Å; D426-R746 IonicContact OD2-NH2 3.73Å; V742-R746 HydrophobicContact CG1-CG 4.44Å; V742-R746 WeakPolarHBondContact O-CG 3.37Å; V742-R746 PolarHBondContact O-N 3.1Å; D743-R746 WeakPolarHBondContact O-CB 3.29Å; D743-R746 PolarHBondContact O-N 3Å; D743-R746 WeakPolarHBondContact OD1-CD 3.33Å; D743-R746 IonicContact OD1-CZ 2.94Å; D743-R746 IonicContact OD1-NE 2.61Å; D743-R746 IonicContact OD1-NH1 2.69Å; D743-R746 PolarHBondContact OD1-NH1 2.98Å; R746-Y748 PolarHBondContact O-N 2.87Å; R746-V749 PolarHBondContact O-N 2.84Å; R746-I750 VanDerWaalsContact O-CG1 3.25Å; R746-I750 WeakPolarHBondContact O-CG1 3.42Å; R746-I750 PolarHBondContact O-N 3.02Å; R746-F781 HydrophobicContact CB-CE1 4.47Å; R746-F781 HydrophobicContact CB-CE2 4.03Å; R746-F781 HydrophobicContact CB-CZ 3.85Å; R746-F781 HydrophobicContact CG-CD1 4.23Å; R746-F781 HydrophobicContact CG-CD2 4.13Å; R746-F781 HydrophobicContact CG-CE1 3.93Å; R746-F781 HydrophobicContact CG-CE2 3.79Å; R746-F781 HydrophobicContact CG-CG 4.34Å; R746-F781 HydrophobicContact CG-CZ 3.7Å
747	R	94.6	Very high	93.6	Very high	96 Å²	96	52.8 Å²	52.8	36%	0.362	25%	0.252	S	S	.	.	H	α-helix	trans	-54.6	-52.9	176.4	-62.6	-177.9	-57.9	-150.4	2.1	111.5	D743 E744 N745 I750 E751	D743-R747 PolarHBondContact O-N 3.26Å; E744-R747 VanDerWaalsContact CG-NH2 3.32Å; E744-R747 PolarHBondContact O-N 2.84Å; E744-R747 IonicContact OE1-CZ 2.63Å; E744-R747 IonicContact OE1-NH1 3.02Å; E744-R747 IonicContact OE1-NH2 2.7Å; E744-R747 PolarHBondContact OE1-NH2 2.83Å; N745-R747 VanDerWaalsContact C-N 3.27Å; N745-R747 PolarHBondContact O-N 2.86Å; R747-I750 PolarHBondContact O-N 3.17Å; R747-E751 WeakPolarHBondContact O-CG 3.22Å; R747-E751 PolarHBondContact O-N 2.75Å; R747-E751 VanDerWaalsContact O-N 3.11Å
748	Y	94.3	Very high	94.1	Very high	146 Å²	146	49.8 Å²	49.8	57%	0.573	24%	0.238	S	C	*	.	H	α-helix	trans	-66.5	-37.7	-179.6	-57.4	-62.7	0	0	0	112.8	E744 N745 R746 E751 A752	E744-Y748 WeakPolarHBondContact O-CD2 3.39Å; E744-Y748 WeakPolarHBondContact O-CE2 3.49Å; N745-Y748 PolarHBondContact O-N 2.92Å; R746-Y748 PolarHBondContact O-N 2.87Å; Y748-E751 PolarHBondContact O-N 2.93Å; Y748-A752 WeakPolarHBondContact O-CB 3.45Å; Y748-A752 PolarHBondContact O-N 3.36Å
749	V	94	Very high	94.5	Very high	53 Å²	53	54.3 Å²	54.3	32%	0.321	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-39.7	178.6	170.4	0	0	0	0	112	N745 R746 T753 L777 F781	N745-V749 WeakPolarHBondContact O-CG2 3.38Å; N745-V749 PolarHBondContact O-N 3.01Å; R746-V749 PolarHBondContact O-N 2.84Å; V749-T753 PolarHBondContact O-N 2.89Å; V749-T753 VanDerWaalsContact O-N 3.12Å; V749-T753 PolarHBondContact O-OG1 3.36Å; V749-L777 HydrophobicContact CG1-CD2 3.57Å; V749-F781 HydrophobicContact CG1-CE1 4Å; V749-F781 HydrophobicContact CG1-CZ 4.36Å
750	I	97	Very high	94.8	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-48.4	174.2	-65.9	164	0	0	0	110.1	R746 R747 A752 T753 I754 V773 L777 F781 P783 M787 I788 R791	R746-I750 VanDerWaalsContact O-CG1 3.25Å; R746-I750 WeakPolarHBondContact O-CG1 3.42Å; R746-I750 PolarHBondContact O-N 3.02Å; R747-I750 PolarHBondContact O-N 3.17Å; I750-A752 PolarHBondContact O-N 2.7Å; I750-T753 PolarHBondContact O-N 3.01Å; I750-I754 HydrophobicContact CG2-CD1 3.64Å; I750-I754 HydrophobicContact CG2-CG1 4.27Å; I750-I754 WeakPolarHBondContact O-CG1 3.37Å; I750-I754 PolarHBondContact O-N 3.12Å; I750-V773 HydrophobicContact CG2-CG1 4.46Å; I750-L777 HydrophobicContact CG1-CD1 3.92Å; I750-F781 HydrophobicContact CD1-CE2 4.07Å; I750-F781 HydrophobicContact CD1-CZ 4.26Å; I750-F781 HydrophobicContact CG1-CE2 4.13Å; I750-F781 HydrophobicContact CG1-CZ 3.89Å; I750-P783 HydrophobicContact CD1-CB 4.05Å; I750-P783 HydrophobicContact CG1-CB 4.3Å; I750-M787 HydrophobicContact CD1-CB 4.17Å; I750-I788 HydrophobicContact CG2-CG1 4.32Å; I750-R791 HydrophobicContact CB-CG 3.99Å; I750-R791 HydrophobicContact CG2-CB 3.76Å; I750-R791 HydrophobicContact CG2-CG 3.63Å
751	E	96.4	Very high	95	Very high	20 Å²	20	59.6 Å²	59.6	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-46.1	178.5	-72.6	175.5	-149.3	0	0	112.3	R747 Y748 T753 I754 M755 R791 L795 R798	R747-E751 WeakPolarHBondContact O-CG 3.22Å; R747-E751 PolarHBondContact O-N 2.75Å; R747-E751 VanDerWaalsContact O-N 3.11Å; Y748-E751 PolarHBondContact O-N 2.93Å; E751-T753 VanDerWaalsContact C-N 3.3Å; E751-T753 PolarHBondContact O-N 2.68Å; E751-I754 PolarHBondContact O-N 3.39Å; E751-M755 WeakPolarHBondContact O-CB 3.32Å; E751-M755 VanDerWaalsContact O-CG 3.31Å; E751-M755 WeakPolarHBondContact O-CG 3.46Å; E751-M755 PolarHBondContact O-N 3.36Å; E751-R791 HydrophobicContact CG-CB 3.94Å; E751-R791 HydrophobicContact CG-CG 4.04Å; E751-R791 WeakPolarHBondContact OE1-CD 3.45Å; E751-R791 IonicContact OE1-CZ 3.75Å; E751-R791 IonicContact OE1-NE 3.16Å; E751-R791 IonicContact OE1-NH1 3.64Å; E751-R791 PolarHBondContact OE1-NH1 3.5Å; E751-L795 HydrophobicContact CB-CD1 4.39Å; E751-L795 HydrophobicContact CG-CD1 4.38Å; E751-L795 HydrophobicContact CG-CG 4.41Å; E751-R798 IonicContact OE1-NH2 3.01Å; E751-R798 IonicContact OE2-CZ 3.45Å; E751-R798 VanDerWaalsContact OE2-CZ 3.32Å; E751-R798 IonicContact OE2-NH1 2.74Å; E751-R798 PolarHBondContact OE2-NH1 3.19Å; E751-R798 IonicContact OE2-NH2 2.99Å; E751-R798 PolarHBondContact OE2-NH2 3.19Å
752	A	95.6	Very high	95.2	Very high	49 Å²	49	61.1 Å²	61.1	41%	0.405	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-35.8	177.9	0	0	0	0	0	112.7	Y748 I750 R756	Y748-A752 WeakPolarHBondContact O-CB 3.45Å; Y748-A752 PolarHBondContact O-N 3.36Å; I750-A752 PolarHBondContact O-N 2.7Å; A752-R756 WeakPolarHBondContact O-CB 3.32Å; A752-R756 PolarHBondContact O-N 2.79Å
753	T	96.4	Very high	95.4	Very high	4 Å²	4	63.9 Å²	63.9	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-75.2	-40.8	176.3	-69	0	0	0	0	112.1	V749 I750 E751 M755 R756 V757 V773 Q776 L777	V749-T753 PolarHBondContact O-N 2.89Å; V749-T753 VanDerWaalsContact O-N 3.12Å; V749-T753 PolarHBondContact O-OG1 3.36Å; I750-T753 PolarHBondContact O-N 3.01Å; E751-T753 VanDerWaalsContact C-N 3.3Å; E751-T753 PolarHBondContact O-N 2.68Å; T753-M755 VanDerWaalsContact C-N 3.33Å; T753-M755 PolarHBondContact O-N 2.7Å; T753-R756 PolarHBondContact O-N 3.45Å; T753-R756 PolarHBondContact OG1-NH1 3.13Å; T753-V757 WeakPolarHBondContact O-CG2 3.35Å; T753-V757 PolarHBondContact O-N 3.4Å; T753-V773 HydrophobicContact CG2-CG1 4.33Å; T753-V773 HydrophobicContact CG2-CG2 4.33Å; T753-Q776 HydrophobicContact CG2-CB 3.84Å; T753-L777 HydrophobicContact CG2-CD1 4.44Å; T753-L777 HydrophobicContact CG2-CG 4.25Å
754	I	97.6	Very high	95.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56.6	-48.6	171.5	-67.8	161.4	0	0	0	110	I750 E751 R756 V757 M758 L769 V773 I788 R791 I792 L795 L801	I750-I754 HydrophobicContact CG2-CD1 3.64Å; I750-I754 HydrophobicContact CG2-CG1 4.27Å; I750-I754 WeakPolarHBondContact O-CG1 3.37Å; I750-I754 PolarHBondContact O-N 3.12Å; E751-I754 PolarHBondContact O-N 3.39Å; I754-R756 VanDerWaalsContact C-N 3.34Å; I754-R756 PolarHBondContact O-N 3.22Å; I754-V757 PolarHBondContact O-N 2.88Å; I754-M758 HydrophobicContact CG2-CG 4.22Å; I754-M758 WeakPolarHBondContact O-CB 3.29Å; I754-M758 WeakPolarHBondContact O-CG 3.49Å; I754-M758 PolarHBondContact O-N 3.35Å; I754-L769 HydrophobicContact CG2-CD1 4.45Å; I754-L769 HydrophobicContact CG2-CD2 4.37Å; I754-V773 HydrophobicContact CG1-CG1 4.36Å; I754-V773 HydrophobicContact CG1-CG2 3.81Å; I754-I788 HydrophobicContact CD1-CG2 4.32Å; I754-R791 HydrophobicContact CD1-CB 3.67Å; I754-I792 HydrophobicContact CD1-CG1 3.9Å; I754-I792 HydrophobicContact CG2-CG1 4.41Å; I754-L795 HydrophobicContact CB-CD1 3.86Å; I754-L795 HydrophobicContact CD1-CD1 4.2Å; I754-L795 HydrophobicContact CG2-CD1 3.57Å; I754-L801 HydrophobicContact CG2-CD1 3.95Å
755	M	96.7	Very high	95.9	Very high	56 Å²	56	59.2 Å²	59.2	28%	0.276	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-39.9	178.1	-69.6	-129.3	-68.7	0	0	112.3	E751 T753 K759 L795 F800	E751-M755 WeakPolarHBondContact O-CB 3.32Å; E751-M755 VanDerWaalsContact O-CG 3.31Å; E751-M755 WeakPolarHBondContact O-CG 3.46Å; E751-M755 PolarHBondContact O-N 3.36Å; T753-M755 VanDerWaalsContact C-N 3.33Å; T753-M755 PolarHBondContact O-N 2.7Å; M755-K759 WeakPolarHBondContact O-CB 3.16Å; M755-K759 PolarHBondContact O-N 3.17Å; M755-L795 HydrophobicContact CG-CD1 4.09Å; M755-L795 HydrophobicContact CG-CD2 3.85Å; M755-L795 HydrophobicContact SD-CD2 3.92Å; M755-F800 HydrophobicContact CE-CD1 4.23Å; M755-F800 HydrophobicContact CE-CE1 4.2Å; M755-F800 HydrophobicContact SD-CB 3.89Å; M755-F800 HydrophobicContact SD-CD1 3.49Å; M755-F800 WeakPolarHBondContact SD-CD1 3.25Å; M755-F800 HydrophobicContact SD-CD2 4.26Å; M755-F800 HydrophobicContact SD-CE1 4.06Å; M755-F800 HydrophobicContact SD-CG 3.61Å
756	R	96.5	Very high	96.2	Very high	135 Å²	135	57.2 Å²	57.2	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-47.4	175.8	-167.4	-167.2	-54.9	110.4	10.1	111.8	A752 T753 I754 A760	A752-R756 WeakPolarHBondContact O-CB 3.32Å; A752-R756 PolarHBondContact O-N 2.79Å; T753-R756 PolarHBondContact O-N 3.45Å; T753-R756 PolarHBondContact OG1-NH1 3.13Å; I754-R756 VanDerWaalsContact C-N 3.34Å; I754-R756 PolarHBondContact O-N 3.22Å; R756-A760 PolarHBondContact O-N 3.48Å
757	V	97.1	Very high	96.2	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-53.4	177.9	171.7	0	0	0	0	110.5	T753 I754 K759 A760 R761 L764 L769 E772 V773 Q776	T753-V757 WeakPolarHBondContact O-CG2 3.35Å; T753-V757 PolarHBondContact O-N 3.4Å; I754-V757 PolarHBondContact O-N 2.88Å; V757-K759 PolarHBondContact O-N 2.7Å; V757-A760 PolarHBondContact O-N 2.86Å; V757-A760 VanDerWaalsContact O-N 3.13Å; V757-R761 HydrophobicContact CG1-CG 4.07Å; V757-R761 WeakPolarHBondContact O-CG 3.1Å; V757-R761 PolarHBondContact O-N 2.92Å; V757-L764 HydrophobicContact CG1-CD2 3.69Å; V757-L769 HydrophobicContact CB-CD1 4.13Å; V757-L769 HydrophobicContact CG1-CD1 3.69Å; V757-E772 HydrophobicContact CG1-CB 4.42Å; V757-E772 HydrophobicContact CG1-CG 4.13Å; V757-E772 WeakPolarHBondContact CG1-OE2 3.15Å; V757-E772 HydrophobicContact CG2-CG 3.91Å; V757-V773 HydrophobicContact CG2-CG2 4.47Å; V757-Q776 VanDerWaalsContact CG2-NE2 3.35Å
758	M	97.3	Very high	96.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-35.8	-176.6	-71.1	-57.3	-55.8	0	0	112.6	I754 A760 K762 L764 L769 L801 Y811 Y813	I754-M758 HydrophobicContact CG2-CG 4.22Å; I754-M758 WeakPolarHBondContact O-CB 3.29Å; I754-M758 WeakPolarHBondContact O-CG 3.49Å; I754-M758 PolarHBondContact O-N 3.35Å; M758-A760 VanDerWaalsContact C-N 3.27Å; M758-A760 PolarHBondContact O-N 3.35Å; M758-K762 WeakPolarHBondContact O-CA 3.23Å; M758-K762 PolarHBondContact O-N 3.42Å; M758-L764 HydrophobicContact CE-CB 4.41Å; M758-L764 HydrophobicContact SD-CB 3.77Å; M758-L769 HydrophobicContact CG-CD1 4.04Å; M758-L769 HydrophobicContact CG-CD2 4.25Å; M758-L769 HydrophobicContact SD-CD1 4Å; M758-L769 HydrophobicContact SD-CD2 3.98Å; M758-L801 HydrophobicContact CB-CD2 3.68Å; M758-L801 HydrophobicContact CE-CD2 4.17Å; M758-L801 HydrophobicContact CG-CD2 3.68Å; M758-Y811 WeakPolarHBondContact CE-O 3.47Å; M758-Y813 HydrophobicContact CB-CD2 3.8Å; M758-Y813 HydrophobicContact CB-CG 4.28Å; M758-Y813 WeakPolarHBondContact O-CB 3.32Å
759	K	96.6	Very high	96.5	Very high	109 Å²	109	52.2 Å²	52.2	47%	0.474	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-32.9	174.4	-174.3	165.4	-168.6	129	0	113.1	M755 V757 K762 Y813 A815	M755-K759 WeakPolarHBondContact O-CB 3.16Å; M755-K759 PolarHBondContact O-N 3.17Å; V757-K759 PolarHBondContact O-N 2.7Å; K759-K762 WeakPolarHBondContact O-CD 3.28Å; K759-K762 VanDerWaalsContact O-CE 3.29Å; K759-K762 WeakPolarHBondContact O-CE 3.33Å; K759-K762 PolarHBondContact O-NZ 3Å; K759-Y813 HydrophobicContact CB-CD1 4.29Å; K759-Y813 HydrophobicContact CB-CD2 4.43Å; K759-Y813 HydrophobicContact CB-CE1 3.75Å; K759-Y813 HydrophobicContact CB-CE2 3.95Å; K759-Y813 HydrophobicContact CD-CE1 4.24Å; K759-Y813 HydrophobicContact CG-CD1 4.47Å; K759-Y813 HydrophobicContact CG-CE1 3.66Å; K759-A815 PolarHBondContact NZ-OXT 3.14Å
760	A	96.4	Very high	96.6	Very high	81 Å²	81	50.4 Å²	50.4	67%	0.669	27%	0.266	S	S	*	.	H	α-helix	trans	-82.8	-47.1	177.6	0	0	0	0	0	112.7	R756 V757 M758	R756-A760 PolarHBondContact O-N 3.48Å; V757-A760 PolarHBondContact O-N 2.86Å; V757-A760 VanDerWaalsContact O-N 3.13Å; M758-A760 VanDerWaalsContact C-N 3.27Å; M758-A760 PolarHBondContact O-N 3.35Å
761	R	95.9	Very high	96.6	Very high	140 Å²	140	54.9 Å²	54.9	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-77.2	-25.5	-176.1	-60.7	-70.9	-175	-161.3	-5.8	113.8	V757 T763 L764 E772	V757-R761 HydrophobicContact CG1-CG 4.07Å; V757-R761 WeakPolarHBondContact O-CG 3.1Å; V757-R761 PolarHBondContact O-N 2.92Å; R761-T763 PolarHBondContact O-N 3.36Å; R761-L764 HydrophobicContact CB-CB 4.45Å; R761-L764 HydrophobicContact CG-CD1 4.39Å; R761-L764 HydrophobicContact CG-CD2 4.23Å; R761-E772 IonicContact CZ-OE1 3.49Å; R761-E772 IonicContact CZ-OE2 3.14Å; R761-E772 IonicContact NE-OE1 2.65Å; R761-E772 PolarHBondContact NE-OE1 3.14Å; R761-E772 IonicContact NE-OE2 2.71Å; R761-E772 PolarHBondContact NE-OE2 2.89Å; R761-E772 IonicContact NH2-OE1 3.4Å; R761-E772 PolarHBondContact NH2-OE1 2.94Å; R761-E772 IonicContact NH2-OE2 2.7Å
762	K	95.4	Very high	96.6	Very high	110 Å²	110	56.1 Å²	56.1	48%	0.478	30%	0.299	S	S	.	.	S	Bend	trans	63.1	-48.6	-171.1	-55.5	-53.5	-172.1	-168.3	0	115	M758 K759 K812 Y813	M758-K762 WeakPolarHBondContact O-CA 3.23Å; M758-K762 PolarHBondContact O-N 3.42Å; K759-K762 WeakPolarHBondContact O-CD 3.28Å; K759-K762 VanDerWaalsContact O-CE 3.29Å; K759-K762 WeakPolarHBondContact O-CE 3.33Å; K759-K762 PolarHBondContact O-NZ 3Å; K762-K812 WeakPolarHBondContact O-CA 3.48Å; K762-Y813 HydrophobicContact CD-CD1 4.45Å; K762-Y813 PolarHBondContact O-N 3.31Å
763	T	96.1	Very high	96.7	Very high	71 Å²	71	53.8 Å²	53.8	44%	0.436	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.2	170.1	46.6	0	0	0	0	110.5	R761 Y811 K812	R761-T763 PolarHBondContact O-N 3.36Å; T763-Y811 VanDerWaalsContact CA-O 3.22Å; T763-Y811 WeakPolarHBondContact CA-O 3.39Å; T763-K812 HydrophobicContact CG2-CB 4.17Å; T763-K812 HydrophobicContact CG2-CG 4.32Å
764	L	96.8	Very high	96.7	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.089	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	143.5	179.2	-160.5	62.3	0	0	0	111.4	V757 M758 R761 Q768 L769 Y811	V757-L764 HydrophobicContact CG1-CD2 3.69Å; M758-L764 HydrophobicContact CE-CB 4.41Å; M758-L764 HydrophobicContact SD-CB 3.77Å; R761-L764 HydrophobicContact CB-CB 4.45Å; R761-L764 HydrophobicContact CG-CD1 4.39Å; R761-L764 HydrophobicContact CG-CD2 4.23Å; L764-Q768 HydrophobicContact CD1-CB 3.76Å; L764-Q768 HydrophobicContact CD2-CB 4.31Å; L764-Q768 HydrophobicContact CG-CB 3.85Å; L764-L769 HydrophobicContact CD2-CB 3.8Å; L764-L769 HydrophobicContact CD2-CD1 4.05Å; L764-L769 HydrophobicContact CG-CB 4.3Å; L764-Y811 PolarHBondContact N-O 3.44Å; L764-Y811 VanDerWaalsContact N-O 3.09Å; L764-Y811 PolarHBondContact O-N 2.99Å
765	S	97.1	Very high	96.6	Very high	35 Å²	35	61 Å²	61	25%	0.245	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	152.5	173.4	72.7	0	0	0	0	111.9	G767 Q768 L769 R809	S765-G767 VanDerWaalsContact C-N 3.3Å; S765-G767 PolarHBondContact O-N 3.32Å; S765-Q768 PolarHBondContact O-N 3.02Å; S765-Q768 VanDerWaalsContact OG-CD 3.27Å; S765-Q768 WeakPolarHBondContact OG-CG 3.41Å; S765-Q768 PolarHBondContact OG-N 3.46Å; S765-Q768 PolarHBondContact OG-OE1 3.39Å; S765-L769 WeakPolarHBondContact O-CB 3.49Å; S765-L769 PolarHBondContact O-N 3.01Å; S765-R809 CarbonylContact C-O 3.59Å
766	H	96.7	Very high	96.5	Very high	54 Å²	54	61.9 Å²	61.9	25%	0.25	32%	0.317	C	S	.	.	H	α-helix	trans	-54.9	-42.6	179.7	-177.2	93.2	0	0	0	112.8	L769 V770 R809 Y811	H766-L769 PolarHBondContact O-N 2.57Å; H766-V770 WeakPolarHBondContact O-CB 3.35Å; H766-V770 VanDerWaalsContact O-CG2 3.31Å; H766-V770 WeakPolarHBondContact O-CG2 3.43Å; H766-V770 PolarHBondContact O-N 3.25Å; H766-R809 PolarHBondContact N-O 3.31Å; H766-Y811 HydrophobicContact CB-CE2 3.69Å; H766-Y811 AromaticContact CG-CE2 3.98Å; H766-Y811 AromaticContact ND1-CE2 3.49Å; H766-Y811 WeakPolarHBondContact ND1-CE2 3.38Å; H766-Y811 AromaticContact ND1-CZ 3.65Å; H766-Y811 PolarHBondContact ND1-OH 3.3Å
767	G	96	Very high	96.3	Very high	45 Å²	45	55.6 Å²	55.6	46%	0.464	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-47	178.4	0	0	0	0	0	112.5	S765 V770 V771	S765-G767 VanDerWaalsContact C-N 3.3Å; S765-G767 PolarHBondContact O-N 3.32Å; G767-V770 PolarHBondContact O-N 2.9Å; G767-V771 WeakPolarHBondContact O-CG2 3.37Å; G767-V771 PolarHBondContact O-N 3.07Å; G767-V771 VanDerWaalsContact O-N 3.09Å
768	Q	97	Very high	96	Very high	113 Å²	113	60.2 Å²	60.2	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-41.2	176.8	-70.7	165	-44.1	0	0	111.9	L764 S765 V771 E772	L764-Q768 HydrophobicContact CD1-CB 3.76Å; L764-Q768 HydrophobicContact CD2-CB 4.31Å; L764-Q768 HydrophobicContact CG-CB 3.85Å; S765-Q768 PolarHBondContact O-N 3.02Å; S765-Q768 VanDerWaalsContact OG-CD 3.27Å; S765-Q768 WeakPolarHBondContact OG-CG 3.41Å; S765-Q768 PolarHBondContact OG-N 3.46Å; S765-Q768 PolarHBondContact OG-OE1 3.39Å; Q768-V771 PolarHBondContact O-N 3.29Å; Q768-E772 WeakPolarHBondContact O-CB 3.27Å; Q768-E772 PolarHBondContact O-N 2.72Å
769	L	97.2	Very high	95.5	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-43.5	177.5	-179.3	58.2	0	0	0	111.9	I754 V757 M758 L764 S765 H766 V773 I792 Y811	I754-L769 HydrophobicContact CG2-CD1 4.45Å; I754-L769 HydrophobicContact CG2-CD2 4.37Å; V757-L769 HydrophobicContact CB-CD1 4.13Å; V757-L769 HydrophobicContact CG1-CD1 3.69Å; M758-L769 HydrophobicContact CG-CD1 4.04Å; M758-L769 HydrophobicContact CG-CD2 4.25Å; M758-L769 HydrophobicContact SD-CD1 4Å; M758-L769 HydrophobicContact SD-CD2 3.98Å; L764-L769 HydrophobicContact CD2-CB 3.8Å; L764-L769 HydrophobicContact CD2-CD1 4.05Å; L764-L769 HydrophobicContact CG-CB 4.3Å; S765-L769 WeakPolarHBondContact O-CB 3.49Å; S765-L769 PolarHBondContact O-N 3.01Å; H766-L769 PolarHBondContact O-N 2.57Å; L769-V773 HydrophobicContact CD1-CG2 3.84Å; L769-V773 HydrophobicContact CG-CG2 4.39Å; L769-V773 VanDerWaalsContact O-CB 3.28Å; L769-V773 WeakPolarHBondContact O-CB 3.41Å; L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 2.96Å; L769-I792 HydrophobicContact CD2-CD1 3.66Å; L769-I792 HydrophobicContact CD2-CG1 4.08Å; L769-I792 HydrophobicContact CG-CD1 4.32Å; L769-Y811 HydrophobicContact CD2-CD2 3.78Å; L769-Y811 HydrophobicContact CD2-CE2 4.2Å
770	V	97.3	Very high	95.2	Very high	14 Å²	14	60.6 Å²	60.6	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-45.1	176.1	167.5	0	0	0	0	110.9	H766 G767 V773 I774 P785 I788	H766-V770 WeakPolarHBondContact O-CB 3.35Å; H766-V770 VanDerWaalsContact O-CG2 3.31Å; H766-V770 WeakPolarHBondContact O-CG2 3.43Å; H766-V770 PolarHBondContact O-N 3.25Å; G767-V770 PolarHBondContact O-N 2.9Å; V770-V773 PolarHBondContact O-N 3.09Å; V770-I774 HydrophobicContact CG1-CD1 3.73Å; V770-I774 VanDerWaalsContact O-CG1 3.26Å; V770-I774 WeakPolarHBondContact O-CG1 3.35Å; V770-I774 PolarHBondContact O-N 3.06Å; V770-P785 HydrophobicContact CG1-CB 4.23Å; V770-P785 HydrophobicContact CG1-CG 4.33Å; V770-I788 HydrophobicContact CG1-CD1 4.18Å; V770-I788 HydrophobicContact CG2-CB 4.49Å; V770-I788 HydrophobicContact CG2-CG2 3.96Å
771	V	97.2	Very high	95.1	Very high	98 Å²	98	57 Å²	57	59%	0.594	29%	0.291	S	S	*	.	H	α-helix	trans	-63.9	-48.5	177.4	172.5	0	0	0	0	111.7	G767 Q768 V773 I774 E775	G767-V771 WeakPolarHBondContact O-CG2 3.37Å; G767-V771 PolarHBondContact O-N 3.07Å; G767-V771 VanDerWaalsContact O-N 3.09Å; Q768-V771 PolarHBondContact O-N 3.29Å; V771-V773 VanDerWaalsContact C-N 3.29Å; V771-V773 PolarHBondContact O-N 2.96Å; V771-I774 PolarHBondContact O-N 3.29Å; V771-E775 WeakPolarHBondContact O-CB 3.2Å; V771-E775 PolarHBondContact O-N 2.98Å
772	E	96.9	Very high	94.9	Very high	45 Å²	45	53.8 Å²	53.8	21%	0.21	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-30	-178.5	-169.2	166.3	-165.1	0	0	112.4	V757 R761 Q768 Q776	V757-E772 HydrophobicContact CG1-CB 4.42Å; V757-E772 HydrophobicContact CG1-CG 4.13Å; V757-E772 WeakPolarHBondContact CG1-OE2 3.15Å; V757-E772 HydrophobicContact CG2-CG 3.91Å; R761-E772 IonicContact CZ-OE1 3.49Å; R761-E772 IonicContact CZ-OE2 3.14Å; R761-E772 IonicContact NE-OE1 2.65Å; R761-E772 PolarHBondContact NE-OE1 3.14Å; R761-E772 IonicContact NE-OE2 2.71Å; R761-E772 PolarHBondContact NE-OE2 2.89Å; R761-E772 IonicContact NH2-OE1 3.4Å; R761-E772 PolarHBondContact NH2-OE1 2.94Å; R761-E772 IonicContact NH2-OE2 2.7Å; Q768-E772 WeakPolarHBondContact O-CB 3.27Å; Q768-E772 PolarHBondContact O-N 2.72Å; E772-Q776 WeakPolarHBondContact O-CG 3.27Å; E772-Q776 PolarHBondContact O-N 3.01Å
773	V	97.3	Very high	94.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-75.9	-39.9	174.1	170.9	0	0	0	0	112.4	I750 T753 I754 V757 L769 V770 V771 L777 I788	I750-V773 HydrophobicContact CG2-CG1 4.46Å; T753-V773 HydrophobicContact CG2-CG1 4.33Å; T753-V773 HydrophobicContact CG2-CG2 4.33Å; I754-V773 HydrophobicContact CG1-CG1 4.36Å; I754-V773 HydrophobicContact CG1-CG2 3.81Å; V757-V773 HydrophobicContact CG2-CG2 4.47Å; L769-V773 HydrophobicContact CD1-CG2 3.84Å; L769-V773 HydrophobicContact CG-CG2 4.39Å; L769-V773 VanDerWaalsContact O-CB 3.28Å; L769-V773 WeakPolarHBondContact O-CB 3.41Å; L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 2.96Å; V770-V773 PolarHBondContact O-N 3.09Å; V771-V773 VanDerWaalsContact C-N 3.29Å; V771-V773 PolarHBondContact O-N 2.96Å; V773-L777 HydrophobicContact CG1-CD1 3.92Å; V773-L777 WeakPolarHBondContact O-CB 3.32Å; V773-L777 WeakPolarHBondContact O-CG 2.95Å; V773-L777 PolarHBondContact O-N 3.46Å; V773-I788 HydrophobicContact CB-CD1 4.27Å; V773-I788 HydrophobicContact CG1-CD1 3.86Å; V773-I788 HydrophobicContact CG1-CG1 3.99Å; V773-I788 HydrophobicContact CG1-CG2 4.36Å
774	I	96.4	Very high	94.7	Very high	45 Å²	45	48.2 Å²	48.2	23%	0.231	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-47.1	173.3	-70	166	0	0	0	109.9	V770 V771 Q776 L777 K778 P783 I788	V770-I774 HydrophobicContact CG1-CD1 3.73Å; V770-I774 VanDerWaalsContact O-CG1 3.26Å; V770-I774 WeakPolarHBondContact O-CG1 3.35Å; V770-I774 PolarHBondContact O-N 3.06Å; V771-I774 PolarHBondContact O-N 3.29Å; I774-Q776 VanDerWaalsContact C-N 3.34Å; I774-Q776 PolarHBondContact O-N 2.89Å; I774-L777 PolarHBondContact O-N 3.05Å; I774-K778 PolarHBondContact O-N 3.49Å; I774-P783 HydrophobicContact CG1-CG 4.09Å; I774-I788 HydrophobicContact CD1-CD1 4.21Å; I774-I788 HydrophobicContact CG1-CD1 3.65Å
775	E	95	Very high	94.6	Very high	111 Å²	111	51 Å²	51	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-39	-177.9	-174.7	60	-160.8	0	0	112.5	V771 L777 K778	V771-E775 WeakPolarHBondContact O-CB 3.2Å; V771-E775 PolarHBondContact O-N 2.98Å; E775-L777 VanDerWaalsContact C-N 3.3Å; E775-L777 PolarHBondContact O-N 3.37Å; E775-K778 VanDerWaalsContact CD-CE 3.5Å; E775-K778 VanDerWaalsContact OE1-CE 3.24Å; E775-K778 WeakPolarHBondContact OE1-CE 3.47Å; E775-K778 IonicContact OE1-NZ 3.78Å; E775-K778 PolarHBondContact OE1-NZ 3.06Å; E775-K778 VanDerWaalsContact OE2-CE 3.26Å; E775-K778 WeakPolarHBondContact OE2-CE 3.38Å; E775-K778 IonicContact OE2-NZ 2.66Å; E775-K778 PolarHBondContact OE2-NZ 3.34Å
776	Q	93.7	Very high	94.5	Very high	74 Å²	74	53.9 Å²	53.9	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-73.6	-14.3	174.6	-76.2	-172.4	41.8	0	0	114.6	T753 V757 E772 I774	T753-Q776 HydrophobicContact CG2-CB 3.84Å; V757-Q776 VanDerWaalsContact CG2-NE2 3.35Å; E772-Q776 WeakPolarHBondContact O-CG 3.27Å; E772-Q776 PolarHBondContact O-N 3.01Å; I774-Q776 VanDerWaalsContact C-N 3.34Å; I774-Q776 PolarHBondContact O-N 2.89Å
777	L	93.1	Very high	94.4	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-111.7	-22	-174.4	-69.7	177.9	0	0	0	114.8	V749 I750 T753 V773 I774 E775 S779 R780 F781 P783	V749-L777 HydrophobicContact CG1-CD2 3.57Å; I750-L777 HydrophobicContact CG1-CD1 3.92Å; T753-L777 HydrophobicContact CG2-CD1 4.44Å; T753-L777 HydrophobicContact CG2-CG 4.25Å; V773-L777 HydrophobicContact CG1-CD1 3.92Å; V773-L777 WeakPolarHBondContact O-CB 3.32Å; V773-L777 WeakPolarHBondContact O-CG 2.95Å; V773-L777 PolarHBondContact O-N 3.46Å; I774-L777 PolarHBondContact O-N 3.05Å; E775-L777 VanDerWaalsContact C-N 3.3Å; E775-L777 PolarHBondContact O-N 3.37Å; L777-S779 PolarHBondContact O-N 2.94Å; L777-R780 PolarHBondContact O-N 3.06Å; L777-F781 CarbonylContact C-O 3.33Å; L777-F781 HydrophobicContact CD1-CZ 4.27Å; L777-F781 PolarHBondContact O-N 3.44Å; L777-P783 HydrophobicContact CB-CG 4.13Å; L777-P783 HydrophobicContact CD1-CG 4.01Å
778	K	90	Very high	94.4	Very high	98 Å²	98	52.6 Å²	52.6	43%	0.426	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.9	-176	72	-178.4	-179.2	-172.8	0	115.6	I774 E775 R780 F781	I774-K778 PolarHBondContact O-N 3.49Å; E775-K778 VanDerWaalsContact CD-CE 3.5Å; E775-K778 VanDerWaalsContact OE1-CE 3.24Å; E775-K778 WeakPolarHBondContact OE1-CE 3.47Å; E775-K778 IonicContact OE1-NZ 3.78Å; E775-K778 PolarHBondContact OE1-NZ 3.06Å; E775-K778 VanDerWaalsContact OE2-CE 3.26Å; E775-K778 WeakPolarHBondContact OE2-CE 3.38Å; E775-K778 IonicContact OE2-NZ 2.66Å; E775-K778 PolarHBondContact OE2-NZ 3.34Å; K778-R780 PolarHBondContact O-N 3.42Å; K778-F781 WeakPolarHBondContact CA-O 3.34Å; K778-F781 PolarHBondContact N-O 3.25Å
779	S	87.3	Confident	94.4	Very high	60 Å²	60	52.5 Å²	52.5	42%	0.42	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9	173.6	56.3	0	0	0	0	114	K425 L777	K425-S779 WeakPolarHBondContact CD-O 3.22Å; L777-S779 PolarHBondContact O-N 2.94Å
780	R	90.5	Very high	94.4	Very high	58 Å²	58	57.6 Å²	57.6	22%	0.219	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-48.4	178.3	-65.7	176.7	173.5	-95.2	-9	112.1	K425 D426 L777 K778	K425-R780 CarbonylContact C-O 3.48Å; K425-R780 WeakPolarHBondContact CA-O 3.49Å; K425-R780 WeakPolarHBondContact CB-O 3.49Å; K425-R780 PolarHBondContact N-O 3.18Å; D426-R780 PolarHBondContact N-O 3.44Å; L777-R780 PolarHBondContact O-N 3.06Å; K778-R780 PolarHBondContact O-N 3.42Å
781	F	93.8	Very high	94.3	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.026	31%	0.307	C	S	.	.			trans	-161.8	159.3	174.1	65.1	-80.1	0	0	0	110.7	Q423 D426 R746 V749 I750 L777 K778 P783	Q423-F781 WeakPolarHBondContact O-CA 3.43Å; D426-F781 HydrophobicContact CB-CD1 4.42Å; D426-F781 VanDerWaalsContact OD2-CD1 3.26Å; D426-F781 WeakPolarHBondContact OD2-CD1 3.47Å; R746-F781 HydrophobicContact CB-CE1 4.47Å; R746-F781 HydrophobicContact CB-CE2 4.03Å; R746-F781 HydrophobicContact CB-CZ 3.85Å; R746-F781 HydrophobicContact CG-CD1 4.23Å; R746-F781 HydrophobicContact CG-CD2 4.13Å; R746-F781 HydrophobicContact CG-CE1 3.93Å; R746-F781 HydrophobicContact CG-CE2 3.79Å; R746-F781 HydrophobicContact CG-CG 4.34Å; R746-F781 HydrophobicContact CG-CZ 3.7Å; V749-F781 HydrophobicContact CG1-CE1 4Å; V749-F781 HydrophobicContact CG1-CZ 4.36Å; I750-F781 HydrophobicContact CD1-CE2 4.07Å; I750-F781 HydrophobicContact CD1-CZ 4.26Å; I750-F781 HydrophobicContact CG1-CE2 4.13Å; I750-F781 HydrophobicContact CG1-CZ 3.89Å; L777-F781 CarbonylContact C-O 3.33Å; L777-F781 HydrophobicContact CD1-CZ 4.27Å; L777-F781 PolarHBondContact O-N 3.44Å; K778-F781 WeakPolarHBondContact CA-O 3.34Å; K778-F781 PolarHBondContact N-O 3.25Å; F781-P783 HydrophobicContact CD2-CB 4.33Å; F781-P783 HydrophobicContact CE2-CB 3.86Å; F781-P783 HydrophobicContact CE2-CG 4.44Å; F781-P783 WeakPolarHBondContact O-CD 3.49Å
782	V	91.6	Very high	94.3	Very high	72 Å²	72	54.8 Å²	54.8	44%	0.436	28%	0.279	S	S	.	.			trans	-95.5	99.2	176	-175.3	0	0	0	0	109.2	Q423	Q423-V782 HydrophobicContact CB-CG2 4.26Å; Q423-V782 HydrophobicContact CG-CG2 4.25Å
783	P	93.7	Very high	94.3	Very high	1 Å²	1	55 Å²	55	1%	0.006	28%	0.28	C	S	.	.			trans	-69	135.8	177.3	27.9	-35.5	0	0	0	111.2	I750 I774 L777 F781 I788	I750-P783 HydrophobicContact CD1-CB 4.05Å; I750-P783 HydrophobicContact CG1-CB 4.3Å; I774-P783 HydrophobicContact CG1-CG 4.09Å; L777-P783 HydrophobicContact CB-CG 4.13Å; L777-P783 HydrophobicContact CD1-CG 4.01Å; F781-P783 HydrophobicContact CD2-CB 4.33Å; F781-P783 HydrophobicContact CE2-CB 3.86Å; F781-P783 HydrophobicContact CE2-CG 4.44Å; F781-P783 WeakPolarHBondContact O-CD 3.49Å; P783-I788 HydrophobicContact CB-CD1 4.14Å; P783-I788 HydrophobicContact CB-CG1 4.04Å; P783-I788 HydrophobicContact CG-CD1 4Å; P783-I788 HydrophobicContact CG-CG1 4.36Å
784	T	93.7	Very high	94.3	Very high	63 Å²	63	56 Å²	56	39%	0.387	29%	0.286	S	S	.	.			trans	-70.9	149.7	173.6	67.9	0	0	0	0	111.2	V786 M787 I788	T784-V786 PolarHBondContact O-N 3Å; T784-V786 VanDerWaalsContact O-N 3.14Å; T784-M787 HydrophobicContact CG2-SD 4.18Å; T784-M787 WeakPolarHBondContact O-CB 3.43Å; T784-M787 PolarHBondContact O-N 3.49Å; T784-M787 VanDerWaalsContact OG1-CG 3.23Å; T784-M787 WeakPolarHBondContact OG1-CG 3.18Å; T784-M787 PolarHBondContact OG1-N 2.94Å; T784-M787 PolarHBondContact OG1-SD 3.33Å; T784-M787 VanDerWaalsContact OG1-SD 3.41Å; T784-I788 PolarHBondContact O-N 3.39Å; T784-I788 VanDerWaalsContact O-N 3.08Å
785	P	95.2	Very high	94.3	Very high	76 Å²	76	53.9 Å²	53.9	49%	0.494	28%	0.276	S	S	.	.	H	α-helix	trans	-55.8	-30.3	173.2	-27.7	36	0	0	0	113.5	V770 I788 K789	V770-P785 HydrophobicContact CG1-CB 4.23Å; V770-P785 HydrophobicContact CG1-CG 4.33Å; P785-I788 PolarHBondContact O-N 3.31Å; P785-K789 WeakPolarHBondContact O-CB 3.18Å; P785-K789 PolarHBondContact O-N 3.01Å
786	V	95.8	Very high	94.4	Very high	95 Å²	95	50.7 Å²	50.7	58%	0.576	26%	0.262	S	S	*	.	H	α-helix	trans	-66.6	-45.6	175.8	-178.1	0	0	0	0	111.3	T784 K789 Q790	T784-V786 PolarHBondContact O-N 3Å; T784-V786 VanDerWaalsContact O-N 3.14Å; V786-K789 PolarHBondContact O-N 3.41Å; V786-Q790 WeakPolarHBondContact O-CG 3.08Å; V786-Q790 PolarHBondContact O-N 3.23Å
787	M	94.2	Very high	94.5	Very high	72 Å²	72	54.5 Å²	54.5	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-44.9	174.8	-71.8	162	171.2	0	0	111.3	I750 T784 Q790 R791	I750-M787 HydrophobicContact CD1-CB 4.17Å; T784-M787 HydrophobicContact CG2-SD 4.18Å; T784-M787 WeakPolarHBondContact O-CB 3.43Å; T784-M787 PolarHBondContact O-N 3.49Å; T784-M787 VanDerWaalsContact OG1-CG 3.23Å; T784-M787 WeakPolarHBondContact OG1-CG 3.18Å; T784-M787 PolarHBondContact OG1-N 2.94Å; T784-M787 PolarHBondContact OG1-SD 3.33Å; T784-M787 VanDerWaalsContact OG1-SD 3.41Å; M787-Q790 PolarHBondContact O-N 3.24Å; M787-R791 WeakPolarHBondContact O-CG 3.22Å; M787-R791 PolarHBondContact O-N 3.19Å; M787-R791 VanDerWaalsContact O-N 3.08Å
788	I	96.7	Very high	94.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-47.7	177.9	-62.8	168.4	0	0	0	110.3	I750 I754 V770 V773 I774 P783 T784 P785 Q790 R791 I792	I750-I788 HydrophobicContact CG2-CG1 4.32Å; I754-I788 HydrophobicContact CD1-CG2 4.32Å; V770-I788 HydrophobicContact CG1-CD1 4.18Å; V770-I788 HydrophobicContact CG2-CB 4.49Å; V770-I788 HydrophobicContact CG2-CG2 3.96Å; V773-I788 HydrophobicContact CB-CD1 4.27Å; V773-I788 HydrophobicContact CG1-CD1 3.86Å; V773-I788 HydrophobicContact CG1-CG1 3.99Å; V773-I788 HydrophobicContact CG1-CG2 4.36Å; I774-I788 HydrophobicContact CD1-CD1 4.21Å; I774-I788 HydrophobicContact CG1-CD1 3.65Å; P783-I788 HydrophobicContact CB-CD1 4.14Å; P783-I788 HydrophobicContact CB-CG1 4.04Å; P783-I788 HydrophobicContact CG-CD1 4Å; P783-I788 HydrophobicContact CG-CG1 4.36Å; T784-I788 PolarHBondContact O-N 3.39Å; T784-I788 VanDerWaalsContact O-N 3.08Å; P785-I788 PolarHBondContact O-N 3.31Å; I788-Q790 PolarHBondContact O-N 3.34Å; I788-R791 PolarHBondContact O-N 3.37Å; I788-R791 VanDerWaalsContact O-N 3.1Å; I788-I792 HydrophobicContact CG2-CD1 3.87Å; I788-I792 HydrophobicContact CG2-CG1 4.36Å; I788-I792 WeakPolarHBondContact O-CG1 3.28Å; I788-I792 PolarHBondContact O-N 2.6Å
789	K	95.9	Very high	94.9	Very high	110 Å²	110	62.2 Å²	62.2	48%	0.478	31%	0.312	S	S	.	.	H	α-helix	trans	-55.8	-49.7	176.2	-176.5	-179.1	174.5	-175.1	0	111.7	P785 V786 R791 I792 E793	P785-K789 WeakPolarHBondContact O-CB 3.18Å; P785-K789 PolarHBondContact O-N 3.01Å; V786-K789 PolarHBondContact O-N 3.41Å; K789-R791 PolarHBondContact O-N 2.85Å; K789-I792 WeakPolarHBondContact O-CB 3.34Å; K789-I792 PolarHBondContact O-N 3.34Å; K789-E793 WeakPolarHBondContact CE-OE1 3.42Å; K789-E793 HydrophobicContact CG-CG 4.45Å; K789-E793 WeakPolarHBondContact O-CG 3.46Å; K789-E793 PolarHBondContact O-N 3.03Å
790	Q	96.6	Very high	95.3	Very high	108 Å²	108	62.4 Å²	62.4	51%	0.505	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-33.8	177.8	-72.7	175.9	-1.4	0	0	113.1	V786 M787 I788 S794	V786-Q790 WeakPolarHBondContact O-CG 3.08Å; V786-Q790 PolarHBondContact O-N 3.23Å; M787-Q790 PolarHBondContact O-N 3.24Å; I788-Q790 PolarHBondContact O-N 3.34Å; Q790-S794 WeakPolarHBondContact O-CB 3.27Å; Q790-S794 PolarHBondContact O-N 2.8Å
791	R	96.9	Very high	95.5	Very high	52 Å²	52	59.8 Å²	59.8	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-75.9	-32.1	174.8	-66.4	-53.4	97.3	-159.3	-3.2	112.8	I750 E751 I754 M787 I788 K789 L795	I750-R791 HydrophobicContact CB-CG 3.99Å; I750-R791 HydrophobicContact CG2-CB 3.76Å; I750-R791 HydrophobicContact CG2-CG 3.63Å; E751-R791 HydrophobicContact CG-CB 3.94Å; E751-R791 HydrophobicContact CG-CG 4.04Å; E751-R791 WeakPolarHBondContact OE1-CD 3.45Å; E751-R791 IonicContact OE1-CZ 3.75Å; E751-R791 IonicContact OE1-NE 3.16Å; E751-R791 IonicContact OE1-NH1 3.64Å; E751-R791 PolarHBondContact OE1-NH1 3.5Å; I754-R791 HydrophobicContact CD1-CB 3.67Å; M787-R791 WeakPolarHBondContact O-CG 3.22Å; M787-R791 PolarHBondContact O-N 3.19Å; M787-R791 VanDerWaalsContact O-N 3.08Å; I788-R791 PolarHBondContact O-N 3.37Å; I788-R791 VanDerWaalsContact O-N 3.1Å; K789-R791 PolarHBondContact O-N 2.85Å; R791-L795 WeakPolarHBondContact O-CG 3.35Å; R791-L795 PolarHBondContact O-N 2.97Å; R791-L795 VanDerWaalsContact O-N 3.1Å
792	I	96.8	Very high	95.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-49.2	172.7	-65.3	164.3	0	0	0	110.9	I754 L769 I788 K789 S794 L795 I796 L801 Y811	I754-I792 HydrophobicContact CD1-CG1 3.9Å; I754-I792 HydrophobicContact CG2-CG1 4.41Å; L769-I792 HydrophobicContact CD2-CD1 3.66Å; L769-I792 HydrophobicContact CD2-CG1 4.08Å; L769-I792 HydrophobicContact CG-CD1 4.32Å; I788-I792 HydrophobicContact CG2-CD1 3.87Å; I788-I792 HydrophobicContact CG2-CG1 4.36Å; I788-I792 WeakPolarHBondContact O-CG1 3.28Å; I788-I792 PolarHBondContact O-N 2.6Å; K789-I792 WeakPolarHBondContact O-CB 3.34Å; K789-I792 PolarHBondContact O-N 3.34Å; I792-S794 VanDerWaalsContact C-N 3.28Å; I792-S794 PolarHBondContact O-N 3.39Å; I792-L795 PolarHBondContact O-N 3.48Å; I792-I796 HydrophobicContact CG2-CD1 3.98Å; I792-I796 WeakPolarHBondContact O-CG1 3.46Å; I792-I796 PolarHBondContact O-N 3.47Å; I792-L801 HydrophobicContact CG2-CD1 4.21Å; I792-Y811 HydrophobicContact CD1-CE2 4.12Å; I792-Y811 HydrophobicContact CG2-CD1 4.1Å; I792-Y811 HydrophobicContact CG2-CD2 4.5Å; I792-Y811 HydrophobicContact CG2-CE1 3.59Å; I792-Y811 HydrophobicContact CG2-CE2 4.02Å
793	E	96.6	Very high	95.8	Very high	50 Å²	50	61.6 Å²	61.6	23%	0.234	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-42.7	178.7	-48.5	-55	166.9	0	0	110.4	K789 L795 I796 E797 R803	K789-E793 WeakPolarHBondContact CE-OE1 3.42Å; K789-E793 HydrophobicContact CG-CG 4.45Å; K789-E793 WeakPolarHBondContact O-CG 3.46Å; K789-E793 PolarHBondContact O-N 3.03Å; E793-L795 VanDerWaalsContact C-N 3.25Å; E793-L795 PolarHBondContact O-N 3.5Å; E793-I796 WeakPolarHBondContact O-CA 3.35Å; E793-I796 WeakPolarHBondContact O-CB 3.47Å; E793-I796 PolarHBondContact O-N 3.08Å; E793-E797 WeakPolarHBondContact O-CG 3.44Å; E793-E797 PolarHBondContact O-N 3.35Å; E793-R803 IonicContact OE1-NH2 3.27Å; E793-R803 PolarHBondContact OE1-NH2 3.45Å; E793-R803 IonicContact OE2-CZ 2.92Å; E793-R803 IonicContact OE2-NH2 3.01Å; E793-R803 PolarHBondContact OE2-NH2 2.9Å
794	S	96.3	Very high	95.7	Very high	20 Å²	20	64 Å²	64	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-25.5	174.9	-177.2	0	0	0	0	114.6	Q790 I792 R798	Q790-S794 WeakPolarHBondContact O-CB 3.27Å; Q790-S794 PolarHBondContact O-N 2.8Å; I792-S794 VanDerWaalsContact C-N 3.28Å; I792-S794 PolarHBondContact O-N 3.39Å; S794-R798 PolarHBondContact O-NE 2.85Å; S794-R798 PolarHBondContact O-NH2 3.17Å; S794-R798 PolarHBondContact OG-NH2 3.37Å
795	L	96.9	Very high	95.5	Very high	1 Å²	1	70 Å²	70	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-84.9	-21.3	174.1	-75.6	167.8	0	0	0	112.5	E751 I754 M755 R791 I792 E793 F800 L801	E751-L795 HydrophobicContact CB-CD1 4.39Å; E751-L795 HydrophobicContact CG-CD1 4.38Å; E751-L795 HydrophobicContact CG-CG 4.41Å; I754-L795 HydrophobicContact CB-CD1 3.86Å; I754-L795 HydrophobicContact CD1-CD1 4.2Å; I754-L795 HydrophobicContact CG2-CD1 3.57Å; M755-L795 HydrophobicContact CG-CD1 4.09Å; M755-L795 HydrophobicContact CG-CD2 3.85Å; M755-L795 HydrophobicContact SD-CD2 3.92Å; R791-L795 WeakPolarHBondContact O-CG 3.35Å; R791-L795 PolarHBondContact O-N 2.97Å; R791-L795 VanDerWaalsContact O-N 3.1Å; I792-L795 PolarHBondContact O-N 3.48Å; E793-L795 VanDerWaalsContact C-N 3.25Å; E793-L795 PolarHBondContact O-N 3.5Å; L795-F800 HydrophobicContact CB-CB 4.46Å; L795-F800 HydrophobicContact CD2-CB 4.11Å; L795-F800 HydrophobicContact CD2-CD2 3.8Å; L795-F800 HydrophobicContact CD2-CG 4.17Å; L795-F800 PolarHBondContact O-N 3.35Å; L795-L801 HydrophobicContact CB-CD1 3.78Å; L795-L801 HydrophobicContact CB-CG 4.06Å; L795-L801 HydrophobicContact CD1-CD1 4.23Å; L795-L801 PolarHBondContact O-N 3.42Å
796	I	96.3	Very high	95.2	Very high	45 Å²	45	74 Å²	74	23%	0.231	35%	0.354	C	S	.	.	H	α-helix	trans	-77	-44.1	170.6	-63.7	166.1	0	0	0	110.1	I792 E793 R798 E799 L801 R803 Y811	I792-I796 HydrophobicContact CG2-CD1 3.98Å; I792-I796 WeakPolarHBondContact O-CG1 3.46Å; I792-I796 PolarHBondContact O-N 3.47Å; E793-I796 WeakPolarHBondContact O-CA 3.35Å; E793-I796 WeakPolarHBondContact O-CB 3.47Å; E793-I796 PolarHBondContact O-N 3.08Å; I796-R798 PolarHBondContact O-N 3.05Å; I796-R798 VanDerWaalsContact O-N 3.08Å; I796-E799 PolarHBondContact O-N 2.91Å; I796-L801 WeakPolarHBondContact CA-O 3.43Å; I796-L801 HydrophobicContact CG1-CB 3.82Å; I796-R803 HydrophobicContact CD1-CG 4.27Å; I796-Y811 HydrophobicContact CD1-CD1 4.1Å; I796-Y811 HydrophobicContact CD1-CE1 3.81Å
797	E	96.2	Very high	95.1	Very high	153 Å²	153	72.5 Å²	72.5	72%	0.715	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.4	173.9	-70.9	167.7	177.3	0	0	113.9	E793	E793-E797 WeakPolarHBondContact O-CG 3.44Å; E793-E797 PolarHBondContact O-N 3.35Å
798	R	96.2	Very high	94.9	Very high	104 Å²	104	78.4 Å²	78.4	39%	0.392	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	17.6	177.2	-70.6	177.8	-71.3	159.5	-9.2	113.4	E751 S794 I796 F800	E751-R798 IonicContact OE1-NH2 3.01Å; E751-R798 IonicContact OE2-CZ 3.45Å; E751-R798 VanDerWaalsContact OE2-CZ 3.32Å; E751-R798 IonicContact OE2-NH1 2.74Å; E751-R798 PolarHBondContact OE2-NH1 3.19Å; E751-R798 IonicContact OE2-NH2 2.99Å; E751-R798 PolarHBondContact OE2-NH2 3.19Å; S794-R798 PolarHBondContact O-NE 2.85Å; S794-R798 PolarHBondContact O-NH2 3.17Å; S794-R798 PolarHBondContact OG-NH2 3.37Å; I796-R798 PolarHBondContact O-N 3.05Å; I796-R798 VanDerWaalsContact O-N 3.08Å; R798-F800 HydrophobicContact CB-CD2 3.71Å; R798-F800 HydrophobicContact CB-CE2 3.8Å; R798-F800 WeakPolarHBondContact O-CD2 3.29Å; R798-F800 PolarHBondContact O-N 2.62Å
799	E	94.9	Very high	94.7	Very high	160 Å²	160	87.3 Å²	87.3	75%	0.748	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	20.4	173.3	-52.2	-173.2	140.4	0	0	115.5	I796 L814	I796-E799 PolarHBondContact O-N 2.91Å; E799-L814 WeakPolarHBondContact O-CB 3.16Å; E799-L814 VanDerWaalsContact O-CD1 3.27Å; E799-L814 WeakPolarHBondContact O-CD1 3.16Å
800	F	95.8	Very high	94.7	Very high	65 Å²	65	83.4 Å²	83.4	29%	0.285	38%	0.38	S	S	.	.	S	Bend	trans	-80	-26.9	170.6	-68.1	-74.4	0	0	0	112	M755 L795 R798 L814 A815	M755-F800 HydrophobicContact CE-CD1 4.23Å; M755-F800 HydrophobicContact CE-CE1 4.2Å; M755-F800 HydrophobicContact SD-CB 3.89Å; M755-F800 HydrophobicContact SD-CD1 3.49Å; M755-F800 WeakPolarHBondContact SD-CD1 3.25Å; M755-F800 HydrophobicContact SD-CD2 4.26Å; M755-F800 HydrophobicContact SD-CE1 4.06Å; M755-F800 HydrophobicContact SD-CG 3.61Å; L795-F800 HydrophobicContact CB-CB 4.46Å; L795-F800 HydrophobicContact CD2-CB 4.11Å; L795-F800 HydrophobicContact CD2-CD2 3.8Å; L795-F800 HydrophobicContact CD2-CG 4.17Å; L795-F800 PolarHBondContact O-N 3.35Å; R798-F800 HydrophobicContact CB-CD2 3.71Å; R798-F800 HydrophobicContact CB-CE2 3.8Å; R798-F800 WeakPolarHBondContact O-CD2 3.29Å; R798-F800 PolarHBondContact O-N 2.62Å; F800-L814 PolarHBondContact O-N 3.15Å; F800-A815 HydrophobicContact CD1-CB 4.27Å
801	L	95.7	Very high	94.7	Very high	2 Å²	2	78.4 Å²	78.4	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.5	-179.4	-58.7	178	0	0	0	110.7	I754 M758 I792 L795 I796 K812 Y813	I754-L801 HydrophobicContact CG2-CD1 3.95Å; M758-L801 HydrophobicContact CB-CD2 3.68Å; M758-L801 HydrophobicContact CE-CD2 4.17Å; M758-L801 HydrophobicContact CG-CD2 3.68Å; I792-L801 HydrophobicContact CG2-CD1 4.21Å; L795-L801 HydrophobicContact CB-CD1 3.78Å; L795-L801 HydrophobicContact CB-CG 4.06Å; L795-L801 HydrophobicContact CD1-CD1 4.23Å; L795-L801 PolarHBondContact O-N 3.42Å; I796-L801 WeakPolarHBondContact CA-O 3.43Å; I796-L801 HydrophobicContact CG1-CB 3.82Å; L801-K812 CarbonylContact C-O 3.52Å; L801-K812 WeakPolarHBondContact CA-O 3.28Å; L801-Y813 HydrophobicContact CD2-CD2 4.03Å
802	A	95.2	Very high	94.7	Very high	27 Å²	27	80.7 Å²	80.7	22%	0.223	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	166.1	161.9	0	0	0	0	0	110.3	Y811 K812 L814	A802-Y811 CarbonylContact O-C 3.47Å; A802-Y811 VanDerWaalsContact O-CA 3.25Å; A802-Y811 WeakPolarHBondContact O-CA 3.46Å; A802-K812 PolarHBondContact N-O 3.43Å; A802-K812 PolarHBondContact O-N 3.26Å; A802-L814 HydrophobicContact CB-CD1 4.01Å; A802-L814 HydrophobicContact CB-CD2 4.09Å; A802-L814 HydrophobicContact CB-CG 4.27Å
803	R	95.9	Very high	94.7	Very high	90 Å²	90	81.8 Å²	81.8	34%	0.34	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	150.6	158	-65	174.5	-171.1	-93.1	0.5	108.3	E793 I796 R808 V810 Y811	E793-R803 IonicContact OE1-NH2 3.27Å; E793-R803 PolarHBondContact OE1-NH2 3.45Å; E793-R803 IonicContact OE2-CZ 2.92Å; E793-R803 IonicContact OE2-NH2 3.01Å; E793-R803 PolarHBondContact OE2-NH2 2.9Å; I796-R803 HydrophobicContact CD1-CG 4.27Å; R803-R808 PolarHBondContact NH1-O 3.08Å; R803-V810 WeakPolarHBondContact CA-O 3.48Å; R803-Y811 HydrophobicContact CG-CD1 3.98Å; R803-Y811 HydrophobicContact CG-CE1 3.88Å
804	L	93.1	Very high	94.4	Very high	52 Å²	52	83.6 Å²	83.6	27%	0.272	38%	0.383	S	S	.	.			trans	-69.3	151.3	166	-67	-176.7	0	0	0	110.1	D807 V810 K812	L804-D807 CarbonylContact O-C 3.55Å; L804-V810 HydrophobicContact CD1-CB 3.94Å; L804-V810 HydrophobicContact CD1-CG1 3.54Å; L804-V810 HydrophobicContact CG-CB 4.26Å; L804-V810 HydrophobicContact CG-CG1 4.02Å; L804-V810 PolarHBondContact N-O 2.97Å; L804-K812 HydrophobicContact CD2-CB 3.95Å; L804-K812 HydrophobicContact CD2-CD 4.08Å
805	E	88.1	Confident	93.7	Very high	189 Å²	189	86.3 Å²	86.3	88%	0.883	41%	0.407	S	S	*	.	S	Bend	trans	-70.4	-41.9	178.6	-63.1	-178.9	174.5	0	0	110.4
806	D	89.4	Confident	93.6	Very high	159 Å²	159	90.6 Å²	90.6	85%	0.85	43%	0.427	S	S	*	.	S	Bend	trans	-71.3	-36.5	-179.3	-43	-68.5	0	0	0	113.5
807	D	92.7	Very high	93.4	Very high	64 Å²	64	92.9 Å²	92.9	34%	0.342	44%	0.437	S	S	.	.			trans	-139.8	108.9	174.4	-174.7	7.1	0	0	0	112.5	L804 R809 V810	L804-D807 CarbonylContact O-C 3.55Å; D807-R809 PolarHBondContact O-N 3.17Å; D807-R809 VanDerWaalsContact O-N 3.09Å; D807-R809 WeakPolarHBondContact OD1-CB 3.23Å; D807-R809 VanDerWaalsContact OD1-CG 3.23Å; D807-R809 WeakPolarHBondContact OD1-CG 3.45Å; D807-R809 PolarHBondContact OD1-N 3.08Å; D807-V810 HydrophobicContact CB-CG2 4.24Å; D807-V810 PolarHBondContact O-N 3.33Å
808	R	90.2	Very high	93.3	Very high	195 Å²	195	89.6 Å²	89.6	74%	0.736	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.6	175.7	-68.5	-175.8	173.7	-161.8	-3	114.6	R803	R803-R808 PolarHBondContact NH1-O 3.08Å
809	R	93.5	Very high	93.1	Very high	188 Å²	188	88.8 Å²	88.8	71%	0.709	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.7	171.7	-53	168.9	-178.8	-166.6	1.3	112.6	S765 H766 D807	S765-R809 CarbonylContact C-O 3.59Å; H766-R809 PolarHBondContact N-O 3.31Å; D807-R809 PolarHBondContact O-N 3.17Å; D807-R809 VanDerWaalsContact O-N 3.09Å; D807-R809 WeakPolarHBondContact OD1-CB 3.23Å; D807-R809 VanDerWaalsContact OD1-CG 3.23Å; D807-R809 WeakPolarHBondContact OD1-CG 3.45Å; D807-R809 PolarHBondContact OD1-N 3.08Å
810	V	96.1	Very high	93	Very high	28 Å²	28	84.3 Å²	84.3	17%	0.17	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.4	175.5	-178.5	0	0	0	0	109.9	R803 L804 D807	R803-V810 WeakPolarHBondContact CA-O 3.48Å; L804-V810 HydrophobicContact CD1-CB 3.94Å; L804-V810 HydrophobicContact CD1-CG1 3.54Å; L804-V810 HydrophobicContact CG-CB 4.26Å; L804-V810 HydrophobicContact CG-CG1 4.02Å; L804-V810 PolarHBondContact N-O 2.97Å; D807-V810 HydrophobicContact CB-CG2 4.24Å; D807-V810 PolarHBondContact O-N 3.33Å
811	Y	96.8	Very high	92.8	Very high	2 Å²	2	85.6 Å²	85.6	1%	0.008	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.6	175.1	-57.5	-69.5	0	0	0	111	M758 T763 L764 H766 L769 I792 I796 A802 R803	M758-Y811 WeakPolarHBondContact CE-O 3.47Å; T763-Y811 VanDerWaalsContact CA-O 3.22Å; T763-Y811 WeakPolarHBondContact CA-O 3.39Å; L764-Y811 PolarHBondContact N-O 3.44Å; L764-Y811 VanDerWaalsContact N-O 3.09Å; L764-Y811 PolarHBondContact O-N 2.99Å; H766-Y811 HydrophobicContact CB-CE2 3.69Å; H766-Y811 AromaticContact CG-CE2 3.98Å; H766-Y811 AromaticContact ND1-CE2 3.49Å; H766-Y811 WeakPolarHBondContact ND1-CE2 3.38Å; H766-Y811 AromaticContact ND1-CZ 3.65Å; H766-Y811 PolarHBondContact ND1-OH 3.3Å; L769-Y811 HydrophobicContact CD2-CD2 3.78Å; L769-Y811 HydrophobicContact CD2-CE2 4.2Å; I792-Y811 HydrophobicContact CD1-CE2 4.12Å; I792-Y811 HydrophobicContact CG2-CD1 4.1Å; I792-Y811 HydrophobicContact CG2-CD2 4.5Å; I792-Y811 HydrophobicContact CG2-CE1 3.59Å; I792-Y811 HydrophobicContact CG2-CE2 4.02Å; I796-Y811 HydrophobicContact CD1-CD1 4.1Å; I796-Y811 HydrophobicContact CD1-CE1 3.81Å; A802-Y811 CarbonylContact O-C 3.47Å; A802-Y811 VanDerWaalsContact O-CA 3.25Å; A802-Y811 WeakPolarHBondContact O-CA 3.46Å; R803-Y811 HydrophobicContact CG-CD1 3.98Å; R803-Y811 HydrophobicContact CG-CE1 3.88Å
812	K	95.9	Very high	92.6	Very high	101 Å²	101	91.6 Å²	91.6	44%	0.439	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.2	174.4	176.8	-178.7	174.1	-174.7	0	109	K762 T763 L801 A802 L804 L814	K762-K812 WeakPolarHBondContact O-CA 3.48Å; T763-K812 HydrophobicContact CG2-CB 4.17Å; T763-K812 HydrophobicContact CG2-CG 4.32Å; L801-K812 CarbonylContact C-O 3.52Å; L801-K812 WeakPolarHBondContact CA-O 3.28Å; A802-K812 PolarHBondContact N-O 3.43Å; A802-K812 PolarHBondContact O-N 3.26Å; L804-K812 HydrophobicContact CD2-CB 3.95Å; L804-K812 HydrophobicContact CD2-CD 4.08Å; K812-L814 HydrophobicContact CG-CD2 4.5Å
813	Y	96.3	Very high	92.4	Very high	23 Å²	23	96.5 Å²	96.5	9%	0.09	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	139.4	173.9	-176	-106.1	0	0	0	111.2	M758 K759 K762 L801 A815	M758-Y813 HydrophobicContact CB-CD2 3.8Å; M758-Y813 HydrophobicContact CB-CG 4.28Å; M758-Y813 WeakPolarHBondContact O-CB 3.32Å; K759-Y813 HydrophobicContact CB-CD1 4.29Å; K759-Y813 HydrophobicContact CB-CD2 4.43Å; K759-Y813 HydrophobicContact CB-CE1 3.75Å; K759-Y813 HydrophobicContact CB-CE2 3.95Å; K759-Y813 HydrophobicContact CD-CE1 4.24Å; K759-Y813 HydrophobicContact CG-CD1 4.47Å; K759-Y813 HydrophobicContact CG-CE1 3.66Å; K762-Y813 HydrophobicContact CD-CD1 4.45Å; K762-Y813 PolarHBondContact O-N 3.31Å; L801-Y813 HydrophobicContact CD2-CD2 4.03Å; Y813-A815 HydrophobicContact CE1-CB 4.38Å; Y813-A815 WeakPolarHBondContact CE1-O 3.23Å; Y813-A815 WeakPolarHBondContact CE1-OXT 3.39Å; Y813-A815 VanDerWaalsContact CZ-C 3.46Å; Y813-A815 VanDerWaalsContact OH-C 3.26Å; Y813-A815 PolarHBondContact OH-OXT 3.38Å
814	L	92	Very high	92.1	Very high	87 Å²	87	97.1 Å²	97.1	46%	0.455	47%	0.466	S	S	.	.			trans	-112.3	-11.6	-171.9	-62.2	-179.7	0	0	0	115.5	E799 F800 A802 K812	E799-L814 WeakPolarHBondContact O-CB 3.16Å; E799-L814 VanDerWaalsContact O-CD1 3.27Å; E799-L814 WeakPolarHBondContact O-CD1 3.16Å; F800-L814 PolarHBondContact O-N 3.15Å; A802-L814 HydrophobicContact CB-CD1 4.01Å; A802-L814 HydrophobicContact CB-CD2 4.09Å; A802-L814 HydrophobicContact CB-CG 4.27Å; K812-L814 HydrophobicContact CG-CD2 4.5Å
815	A	81.4	Confident	92	Very high	77 Å²	77	101.2 Å²	101.2	64%	0.636	48%	0.484	S	S	*	.			trans	-122.4	0	-171.5	0	0	0	0	0	115.2	K759 F800 Y813	K759-A815 PolarHBondContact NZ-OXT 3.14Å; F800-A815 HydrophobicContact CD1-CB 4.27Å; Y813-A815 HydrophobicContact CE1-CB 4.38Å; Y813-A815 WeakPolarHBondContact CE1-O 3.23Å; Y813-A815 WeakPolarHBondContact CE1-OXT 3.39Å; Y813-A815 VanDerWaalsContact CZ-C 3.46Å; Y813-A815 VanDerWaalsContact OH-C 3.26Å; Y813-A815 PolarHBondContact OH-OXT 3.38Å

Retrieved 815 of 815 residues in 1322.8 ms (Link to these results)

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