G4VPI9_SCHMA Loading...

Putative cullin

AlphaFold DB , UniProt , Accession G4VPI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 813 aa.

						>G4VPI9_SCHMA|G4VPI9
MSTGSSARRTEVTNAKVRIKAFPPSIDERYANQLWDQIKSAIIEIQKKNNSCLSFEELYRNAYTLILQKHGERLYAGTEAVVREHMIKIRDSIVENLNNKFLTYLNSCWKDHQTAMGMIRDILMYMDRVYVGPHNLDGVYKMGMTVFCDLVVRYPIIREHLQKTLLDMVRRERRGEVISRSQIRDACQMFVQLGAGSLRVYLEDFEQPFLEQSREFYRTESENFLAENTSASLYIKKVEQRIEEEVRRAHHHLDPSTEPKIVVVLEEELISRHMETIVGMEDSGLTYMLTHDHFSDIAAMYGVLSRVEEGPKIMSNYISLYLREQGRNTVRDTGSSTPQQHIQDLLQLRDRANELLTRALNNQTIFRNQINSDFEYFVNLNPRSPEFLSLFIDEKLKRGTKGMADQDVDAIFDKCIVLFRYLQEKDLFEGYYKKHLAKRLLLSKSQSDDQEKIMISKLMAECGAVYTSKLEGMFKDMAVSKTLMDEFNAVLSNGNRNLNLDLCVRVLTTGLWPTQATNSNEALPEEADTAFKVYKNFYLSKHNGRKINLQTNMGYAELSAVFYGRPNADINTPQISSVTDSHIHSFLIHGSSSSNQVTSQSSQQTPISGLPGSPGAPKTLDPPNLISTSSRPNVRKYFLQVSTYQMIILMKFNRRNRYSFIELASETNIPERELKRSLMALALGRCSQRILCKEPKTRDIESTDVFYVNDSFVSKHIKVRVQSITVKESEPERQETRTKVDENRRYVIEATIVRVMKARKTLSHGQLVVEVIEQLKSRFVPTPVMIKQRIESLIEREFLARLEDDRRVYKYLA
					

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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	36.9	Very low	35.5	Very low	246 Å²	246	159.2 Å²	159.2	100%	1.212	90%	0.896	S	S	*	*				0	130.4	0	-82.4	178.4	170.4	0	0	108.4
2	S	36.5	Very low	35.9	Very low	125 Å²	125	156.3 Å²	156.3	87%	0.874	88%	0.884	S	S	*	*			trans	65.3	124.4	175.6	-141.2	0	0	0	0	119.5
3	T	35.3	Very low	36.3	Very low	141 Å²	141	154 Å²	154	87%	0.865	88%	0.876	S	S	*	*			trans	-87.1	151.1	-172.1	46.9	0	0	0	0	112.3
4	G	36.3	Very low	36.4	Very low	79 Å²	79	154.2 Å²	154.2	81%	0.814	87%	0.873	S	S	*	*			trans	174.8	87.7	166.8	0	0	0	0	0	113.2
5	S	31.7	Very low	36.7	Very low	125 Å²	125	149.7 Å²	149.7	87%	0.874	86%	0.863	S	S	*	*			trans	-66.6	127.6	-179.9	-171.7	0	0	0	0	112.6
6	S	36	Very low	37	Very low	123 Å²	123	152.3 Å²	152.3	86%	0.86	86%	0.861	S	S	*	*			trans	-156.6	85.2	154.6	-159.3	0	0	0	0	108.9
7	A	39	Very low	37.2	Very low	98 Å²	98	150.8 Å²	150.8	81%	0.81	86%	0.855	S	S	*	*			trans	-89.6	126.4	174.9	0	0	0	0	0	110.1
8	R	38.2	Very low	37.2	Very low	242 Å²	242	155.9 Å²	155.9	91%	0.913	86%	0.859	S	S	*	*			trans	-59	146.4	179.6	-81.6	172.7	169	172.5	-4.6	113.1	T10	R8-T10 PolarHBondContact O-N 3.43Å
9	R	30.3	Very low	37.7	Very low	249 Å²	249	154.4 Å²	154.4	94%	0.94	85%	0.848	S	S	*	*			trans	-37.8	123.1	166.8	-71.9	174.1	173.2	171.4	-3.3	113.4
10	T	37.4	Very low	37.8	Very low	127 Å²	127	156.5 Å²	156.5	78%	0.779	85%	0.848	S	S	*	*			trans	-104.2	119.4	152.2	21.9	0	0	0	0	108.3	R8 V12	R8-T10 PolarHBondContact O-N 3.43Å; T10-V12 PolarHBondContact O-N 3.49Å; T10-V12 VanDerWaalsContact O-N 3.15Å
11	E	32.6	Very low	37.9	Very low	196 Å²	196	153.7 Å²	153.7	92%	0.916	85%	0.846	S	S	*	*			trans	-64.8	105	168.2	-72	177.4	153.8	0	0	108.9
12	V	40.6	Very low	38.5	Very low	124 Å²	124	150 Å²	150	75%	0.752	82%	0.824	S	S	*	*			trans	-96.5	112.7	163.7	179.9	0	0	0	0	106.6	T10 N14	T10-V12 PolarHBondContact O-N 3.49Å; T10-V12 VanDerWaalsContact O-N 3.15Å; V12-N14 PolarHBondContact O-N 3.07Å
13	T	41.4	Very low	39.1	Very low	127 Å²	127	148.8 Å²	148.8	78%	0.779	81%	0.813	S	S	*	*			trans	-49.6	121.2	172.9	41.6	0	0	0	0	109.9	A15	T13-A15 VanDerWaalsContact C-N 3.28Å; T13-A15 PolarHBondContact O-N 3.27Å
14	N	37.8	Very low	39.9	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	81%	0.807	S	S	*	*			trans	-69.8	84.7	-178.4	-138.9	-13	0	0	0	108.5	V12 K16	V12-N14 PolarHBondContact O-N 3.07Å; N14-K16 PolarHBondContact O-N 3.47Å
15	A	40.1	Very low	41	Very low	87 Å²	87	148.7 Å²	148.7	72%	0.719	80%	0.803	S	S	*	*			trans	-66	88.4	170.5	0	0	0	0	0	108.2	T13 V17	T13-A15 VanDerWaalsContact C-N 3.28Å; T13-A15 PolarHBondContact O-N 3.27Å; A15-V17 PolarHBondContact O-N 3.2Å
16	K	42.3	Very low	42.5	Very low	191 Å²	191	144 Å²	144	83%	0.83	77%	0.768	S	S	*	*			trans	-53.5	106.3	169.2	-80.3	179.6	175.6	177	0	108.1	N14 R18	N14-K16 PolarHBondContact O-N 3.47Å; K16-R18 PolarHBondContact O-N 3.39Å
17	V	39.8	Very low	44.2	Very low	126 Å²	126	143.2 Å²	143.2	76%	0.764	75%	0.754	S	S	*	*			trans	-54.4	108.4	167.1	176.5	0	0	0	0	107.1	A15 I19	A15-V17 PolarHBondContact O-N 3.2Å; V17-I19 VanDerWaalsContact C-N 3.28Å; V17-I19 HydrophobicContact CG1-CG1 4.31Å; V17-I19 PolarHBondContact O-N 3.22Å
18	R	37.3	Very low	46.3	Very low	244 Å²	244	145 Å²	145	92%	0.921	75%	0.745	S	S	*	*			trans	-75.8	86.2	176.5	-153.5	177.6	-170.1	-178.1	2.7	107.1	K16 K20	K16-R18 PolarHBondContact O-N 3.39Å; R18-K20 PolarHBondContact O-N 3.2Å
19	I	46	Very low	48.5	Very low	127 Å²	127	142.4 Å²	142.4	65%	0.651	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-58.1	123.9	170.2	-59.6	173.6	0	0	0	106.6	V17 A21 F22	V17-I19 VanDerWaalsContact C-N 3.28Å; V17-I19 HydrophobicContact CG1-CG1 4.31Å; V17-I19 PolarHBondContact O-N 3.22Å; I19-A21 PolarHBondContact O-N 3.28Å; I19-F22 HydrophobicContact CG2-CE2 4.27Å
20	K	40.1	Very low	51.2	Low	196 Å²	196	135.8 Å²	135.8	85%	0.852	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-48.5	131.9	171.6	-81.5	-179.2	174.9	178.3	0	108.3	R18 F22	R18-K20 PolarHBondContact O-N 3.2Å; K20-F22 PolarHBondContact O-N 2.81Å; K20-F22 VanDerWaalsContact O-N 3.16Å
21	A	40.7	Very low	53.5	Low	97 Å²	97	129.8 Å²	129.8	80%	0.802	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-48.2	123.3	178.2	0	0	0	0	0	110	I19	I19-A21 PolarHBondContact O-N 3.28Å
22	F	48.4	Very low	56.3	Low	169 Å²	169	122.8 Å²	122.8	74%	0.741	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-54.1	140.9	163.5	-79.7	-92.5	0	0	0	107.8	I19 K20	I19-F22 HydrophobicContact CG2-CE2 4.27Å; K20-F22 PolarHBondContact O-N 2.81Å; K20-F22 VanDerWaalsContact O-N 3.16Å
23	P	49	Very low	58.7	Low	99 Å²	99	122.4 Å²	122.4	64%	0.643	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-54.8	147.6	-179.4	23.9	-32.7	0	0	0	110.1
24	P	52.8	Low	61.2	Low	114 Å²	114	116.5 Å²	116.5	74%	0.74	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-60.1	156.1	-179.4	30	-33.6	0	0	0	108.9	I26	P24-I26 PolarHBondContact O-N 3.05Å
25	S	59.7	Low	63.9	Low	105 Å²	105	110.1 Å²	110.1	73%	0.734	56%	0.561	S	S	*	*			trans	-31.3	127	175	55.5	0	0	0	0	111.9	D27	S25-D27 PolarHBondContact O-N 3.39Å
26	I	63.1	Low	66.4	Low	26 Å²	26	109.8 Å²	109.8	13%	0.133	55%	0.547	C	S	.	.			trans	-44.6	135.8	171.9	-91	167.5	0	0	0	109.1	P24 E28 Y30 A31 T64 Q68	P24-I26 PolarHBondContact O-N 3.05Å; I26-E28 PolarHBondContact O-N 2.74Å; I26-Y30 HydrophobicContact CB-CD1 4.43Å; I26-Y30 HydrophobicContact CD1-CD1 3.6Å; I26-Y30 HydrophobicContact CD1-CE1 3.71Å; I26-Y30 HydrophobicContact CG1-CD1 3.74Å; I26-Y30 HydrophobicContact CG1-CE1 4.21Å; I26-Y30 HydrophobicContact CG2-CD1 3.75Å; I26-Y30 HydrophobicContact CG2-CG 4.36Å; I26-A31 HydrophobicContact CG2-CB 3.85Å; I26-T64 HydrophobicContact CD1-CG2 3.69Å; I26-Q68 HydrophobicContact CD1-CB 4.4Å; I26-Q68 HydrophobicContact CD1-CG 3.7Å; I26-Q68 VanDerWaalsContact CD1-OE1 3.26Å; I26-Q68 HydrophobicContact CG1-CG 4.35Å
27	D	72.4	Confident	68.9	Low	107 Å²	107	105 Å²	105	57%	0.572	53%	0.528	S	S	*	.			trans	-54.5	129.3	166.2	179.2	0.4	0	0	0	108.6	S25 R29 Y30 A31	S25-D27 PolarHBondContact O-N 3.39Å; D27-R29 PolarHBondContact O-N 2.96Å; D27-R29 PolarHBondContact OD1-N 3.47Å; D27-Y30 PolarHBondContact O-N 3.43Å; D27-A31 PolarHBondContact O-N 3.4Å
28	E	82.8	Confident	71.5	Confident	135 Å²	135	99 Å²	99	63%	0.631	49%	0.492	S	S	*	.	H	α-helix	trans	-47.2	-33	-179.9	-127.2	-171	-168.1	0	0	112.3	I26 A31 N32	I26-E28 PolarHBondContact O-N 2.74Å; E28-A31 PolarHBondContact O-N 3.14Å; E28-N32 PolarHBondContact O-N 3.22Å; E28-N32 PolarHBondContact O-ND2 2.76Å; E28-N32 PolarHBondContact O-OD1 2.78Å
29	R	83.3	Confident	74.3	Confident	187 Å²	187	90.9 Å²	90.9	71%	0.706	46%	0.463	S	S	*	.	H	α-helix	trans	-61.8	-41.1	175.3	-69.1	-176.2	175.6	-163.8	0.1	113.8	D27 N32 Q33	D27-R29 PolarHBondContact O-N 2.96Å; D27-R29 PolarHBondContact OD1-N 3.47Å; R29-N32 WeakPolarHBondContact O-CB 3.37Å; R29-N32 PolarHBondContact O-N 3.09Å; R29-Q33 WeakPolarHBondContact O-CG 3.28Å; R29-Q33 PolarHBondContact O-N 2.95Å
30	Y	86.9	Confident	76.6	Confident	111 Å²	111	88.1 Å²	88.1	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-75.4	-34.5	178.9	179.5	-106.8	0	0	0	111	I26 D27 N32 Q33 L34	I26-Y30 HydrophobicContact CB-CD1 4.43Å; I26-Y30 HydrophobicContact CD1-CD1 3.6Å; I26-Y30 HydrophobicContact CD1-CE1 3.71Å; I26-Y30 HydrophobicContact CG1-CD1 3.74Å; I26-Y30 HydrophobicContact CG1-CE1 4.21Å; I26-Y30 HydrophobicContact CG2-CD1 3.75Å; I26-Y30 HydrophobicContact CG2-CG 4.36Å; D27-Y30 PolarHBondContact O-N 3.43Å; Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 3.07Å; Y30-Q33 PolarHBondContact O-N 3.34Å; Y30-L34 HydrophobicContact CD1-CD1 4.12Å; Y30-L34 HydrophobicContact CD1-CG 4.44Å; Y30-L34 HydrophobicContact CE1-CD1 3.66Å; Y30-L34 HydrophobicContact CE1-CD2 4.43Å; Y30-L34 HydrophobicContact CE1-CG 4.1Å; Y30-L34 HydrophobicContact CE2-CD2 4.32Å; Y30-L34 HydrophobicContact CE2-CG 4.44Å; Y30-L34 WeakPolarHBondContact O-CG 3.49Å; Y30-L34 PolarHBondContact O-N 3.09Å
31	A	87.3	Confident	79.2	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-60.3	-39.7	168.4	0	0	0	0	0	111.9	I26 D27 E28 W35 L65	I26-A31 HydrophobicContact CG2-CB 3.85Å; D27-A31 PolarHBondContact O-N 3.4Å; E28-A31 PolarHBondContact O-N 3.14Å; A31-W35 WeakPolarHBondContact O-CB 3.48Å; A31-W35 PolarHBondContact O-N 3.1Å; A31-L65 HydrophobicContact CB-CD2 4.05Å
32	N	90.3	Very high	81.9	Confident	50 Å²	50	74.5 Å²	74.5	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-60.3	-47.6	173.4	-63.5	-17.6	0	0	0	111.4	E28 R29 Y30 L34 W35 D36 R73	E28-N32 PolarHBondContact O-N 3.22Å; E28-N32 PolarHBondContact O-ND2 2.76Å; E28-N32 PolarHBondContact O-OD1 2.78Å; R29-N32 WeakPolarHBondContact O-CB 3.37Å; R29-N32 PolarHBondContact O-N 3.09Å; Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 3.07Å; N32-L34 PolarHBondContact O-N 3.38Å; N32-W35 PolarHBondContact O-N 3.04Å; N32-D36 WeakPolarHBondContact O-CB 3.43Å; N32-D36 VanDerWaalsContact O-CG 3.25Å; N32-D36 PolarHBondContact O-N 2.82Å; N32-R73 PolarHBondContact OD1-NH1 3.4Å; N32-R73 PolarHBondContact OD1-NH2 2.97Å
33	Q	92.2	Very high	84.1	Confident	115 Å²	115	68.9 Å²	68.9	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-45.2	179.9	-74.3	173.8	-9.2	0	0	112.4	R29 Y30 W35 D36 Q37	R29-Q33 WeakPolarHBondContact O-CG 3.28Å; R29-Q33 PolarHBondContact O-N 2.95Å; Y30-Q33 PolarHBondContact O-N 3.34Å; Q33-W35 VanDerWaalsContact C-N 3.32Å; Q33-W35 PolarHBondContact O-N 3.27Å; Q33-D36 PolarHBondContact O-N 3Å; Q33-Q37 WeakPolarHBondContact O-CG 3.3Å; Q33-Q37 PolarHBondContact O-N 3.24Å
34	L	92.6	Very high	86.3	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-42.2	176.6	-67.7	-179.5	0	0	0	111.4	Y30 N32 Q37 I38 N61 T64 L65	Y30-L34 HydrophobicContact CD1-CD1 4.12Å; Y30-L34 HydrophobicContact CD1-CG 4.44Å; Y30-L34 HydrophobicContact CE1-CD1 3.66Å; Y30-L34 HydrophobicContact CE1-CD2 4.43Å; Y30-L34 HydrophobicContact CE1-CG 4.1Å; Y30-L34 HydrophobicContact CE2-CD2 4.32Å; Y30-L34 HydrophobicContact CE2-CG 4.44Å; Y30-L34 WeakPolarHBondContact O-CG 3.49Å; Y30-L34 PolarHBondContact O-N 3.09Å; N32-L34 PolarHBondContact O-N 3.38Å; L34-Q37 PolarHBondContact O-N 2.85Å; L34-I38 WeakPolarHBondContact O-CG1 3.32Å; L34-I38 PolarHBondContact O-N 2.99Å; L34-I38 VanDerWaalsContact O-N 3.14Å; L34-N61 HydrophobicContact CD2-CB 4.14Å; L34-T64 HydrophobicContact CD1-CG2 3.89Å; L34-L65 HydrophobicContact CB-CD1 4.23Å; L34-L65 HydrophobicContact CB-CD2 4.12Å; L34-L65 HydrophobicContact CB-CG 4.13Å; L34-L65 HydrophobicContact CD1-CD2 4.33Å; L34-L65 HydrophobicContact CD1-CG 4.37Å
35	W	94.5	Very high	88.3	Confident	22 Å²	22	61.6 Å²	61.6	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-63.3	-43.5	174.8	168.9	-113.2	0	0	0	112	A31 N32 Q33 Q37 I38 K39 L65 L74 G77 T78 V81	A31-W35 WeakPolarHBondContact O-CB 3.48Å; A31-W35 PolarHBondContact O-N 3.1Å; N32-W35 PolarHBondContact O-N 3.04Å; Q33-W35 VanDerWaalsContact C-N 3.32Å; Q33-W35 PolarHBondContact O-N 3.27Å; W35-Q37 VanDerWaalsContact C-N 3.28Å; W35-Q37 PolarHBondContact O-N 3.22Å; W35-I38 HydrophobicContact CE3-CB 4.35Å; W35-I38 HydrophobicContact CE3-CG2 4.38Å; W35-I38 HydrophobicContact CZ3-CB 4.5Å; W35-I38 HydrophobicContact CZ3-CG2 4.08Å; W35-I38 PolarHBondContact O-N 2.94Å; W35-I38 VanDerWaalsContact O-N 3.16Å; W35-K39 HydrophobicContact CD2-CB 4.44Å; W35-K39 HydrophobicContact CH2-CB 4.19Å; W35-K39 HydrophobicContact CZ2-CB 3.91Å; W35-K39 HydrophobicContact CZ2-CD 4.2Å; W35-K39 HydrophobicContact CZ2-CG 4.29Å; W35-K39 VanDerWaalsContact O-CB 3.27Å; W35-K39 WeakPolarHBondContact O-CB 3.47Å; W35-K39 PolarHBondContact O-N 3.36Å; W35-L65 HydrophobicContact CB-CD1 4.43Å; W35-L74 HydrophobicContact CE3-CD1 3.68Å; W35-L74 HydrophobicContact CZ3-CD1 3.72Å; W35-G77 WeakPolarHBondContact CH2-O 3.34Å; W35-G77 VanDerWaalsContact CZ2-CA 3.44Å; W35-G77 WeakPolarHBondContact CZ2-O 3.27Å; W35-T78 VanDerWaalsContact CH2-N 3.3Å; W35-V81 HydrophobicContact CH2-CG2 4.24Å; W35-V81 HydrophobicContact CZ2-CG2 4.09Å
36	D	93.9	Very high	89.9	Confident	80 Å²	80	57.4 Å²	57.4	43%	0.428	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-34.4	-179.7	-71.7	-29.2	0	0	0	112.2	N32 Q33 S40	N32-D36 WeakPolarHBondContact O-CB 3.43Å; N32-D36 VanDerWaalsContact O-CG 3.25Å; N32-D36 PolarHBondContact O-N 2.82Å; Q33-D36 PolarHBondContact O-N 3Å; D36-S40 VanDerWaalsContact O-CB 3.32Å; D36-S40 WeakPolarHBondContact O-CB 3.46Å; D36-S40 PolarHBondContact O-N 3.06Å; D36-S40 PolarHBondContact O-OG 3.11Å
37	Q	93.8	Very high	91.4	Very high	90 Å²	90	61.5 Å²	61.5	42%	0.421	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-47.7	171.8	-72	177.3	-16	0	0	111.8	Q33 L34 W35 S40 A41 N61	Q33-Q37 WeakPolarHBondContact O-CG 3.3Å; Q33-Q37 PolarHBondContact O-N 3.24Å; L34-Q37 PolarHBondContact O-N 2.85Å; W35-Q37 VanDerWaalsContact C-N 3.28Å; W35-Q37 PolarHBondContact O-N 3.22Å; Q37-S40 PolarHBondContact O-N 2.99Å; Q37-A41 WeakPolarHBondContact O-CB 3.43Å; Q37-A41 PolarHBondContact O-N 2.85Å; Q37-N61 PolarHBondContact OE1-ND2 3.29Å
38	I	94.8	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	-63.7	-45	177.3	-66	167.9	0	0	0	110.6	L34 W35 S40 A41 I42 N61 A62 L65 L74 L123	L34-I38 WeakPolarHBondContact O-CG1 3.32Å; L34-I38 PolarHBondContact O-N 2.99Å; L34-I38 VanDerWaalsContact O-N 3.14Å; W35-I38 HydrophobicContact CE3-CB 4.35Å; W35-I38 HydrophobicContact CE3-CG2 4.38Å; W35-I38 HydrophobicContact CZ3-CB 4.5Å; W35-I38 HydrophobicContact CZ3-CG2 4.08Å; W35-I38 PolarHBondContact O-N 2.94Å; W35-I38 VanDerWaalsContact O-N 3.16Å; I38-S40 PolarHBondContact O-N 3.1Å; I38-A41 PolarHBondContact O-N 2.91Å; I38-I42 HydrophobicContact CG2-CD1 3.77Å; I38-I42 HydrophobicContact CG2-CG1 4.34Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.14Å; I38-I42 PolarHBondContact O-N 3.34Å; I38-N61 HydrophobicContact CD1-CB 3.98Å; I38-N61 HydrophobicContact CG1-CB 4.11Å; I38-A62 HydrophobicContact CD1-CB 4.01Å; I38-L65 HydrophobicContact CD1-CD1 3.69Å; I38-L74 HydrophobicContact CD1-CD1 3.96Å; I38-L74 HydrophobicContact CG2-CD1 4.23Å; I38-L123 HydrophobicContact CG2-CD2 4.25Å
39	K	96.1	Very high	92.7	Very high	74 Å²	74	60.1 Å²	60.1	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-56.9	-48.2	176.3	174.2	173.6	179.1	-175.5	0	111.4	W35 A41 I42 I43 V81	W35-K39 HydrophobicContact CD2-CB 4.44Å; W35-K39 HydrophobicContact CH2-CB 4.19Å; W35-K39 HydrophobicContact CZ2-CB 3.91Å; W35-K39 HydrophobicContact CZ2-CD 4.2Å; W35-K39 HydrophobicContact CZ2-CG 4.29Å; W35-K39 VanDerWaalsContact O-CB 3.27Å; W35-K39 WeakPolarHBondContact O-CB 3.47Å; W35-K39 PolarHBondContact O-N 3.36Å; K39-A41 VanDerWaalsContact C-N 3.32Å; K39-A41 PolarHBondContact O-N 3.47Å; K39-I42 PolarHBondContact O-N 2.8Å; K39-I43 HydrophobicContact CG-CD1 4.09Å; K39-I43 WeakPolarHBondContact O-CG1 3.44Å; K39-I43 PolarHBondContact O-N 3.35Å; K39-V81 HydrophobicContact CD-CG2 4.15Å; K39-V81 HydrophobicContact CG-CG2 3.82Å
40	S	94.4	Very high	92.8	Very high	69 Å²	69	53.3 Å²	53.3	48%	0.483	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-41	178.6	-61	0	0	0	0	111.5	D36 Q37 I38 I43 E44	D36-S40 VanDerWaalsContact O-CB 3.32Å; D36-S40 WeakPolarHBondContact O-CB 3.46Å; D36-S40 PolarHBondContact O-N 3.06Å; D36-S40 PolarHBondContact O-OG 3.11Å; Q37-S40 PolarHBondContact O-N 2.99Å; I38-S40 PolarHBondContact O-N 3.1Å; S40-I43 PolarHBondContact O-N 3.31Å; S40-E44 PolarHBondContact O-N 3.43Å
41	A	95	Very high	92.8	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-42.7	175.9	0	0	0	0	0	112.8	Q37 I38 K39 I43 E44 I45 L53 L58	Q37-A41 WeakPolarHBondContact O-CB 3.43Å; Q37-A41 PolarHBondContact O-N 2.85Å; I38-A41 PolarHBondContact O-N 2.91Å; K39-A41 VanDerWaalsContact C-N 3.32Å; K39-A41 PolarHBondContact O-N 3.47Å; A41-I43 VanDerWaalsContact C-N 3.3Å; A41-I43 PolarHBondContact O-N 2.92Å; A41-E44 PolarHBondContact O-N 2.81Å; A41-I45 VanDerWaalsContact O-CG1 3.29Å; A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 2.69Å; A41-L53 HydrophobicContact CB-CD1 4.13Å; A41-L53 HydrophobicContact CB-CD2 4.01Å; A41-L58 HydrophobicContact CB-CD1 3.45Å; A41-L58 VanDerWaalsContact CB-CD1 3.45Å; A41-L58 HydrophobicContact CB-CD2 3.55Å; A41-L58 HydrophobicContact CB-CG 4.15Å
42	I	95.8	Very high	92.6	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-44.3	175.1	-69.1	164.8	0	0	0	110.4	I38 K39 I45 Q46 T78 V81 I119	I38-I42 HydrophobicContact CG2-CD1 3.77Å; I38-I42 HydrophobicContact CG2-CG1 4.34Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.14Å; I38-I42 PolarHBondContact O-N 3.34Å; K39-I42 PolarHBondContact O-N 2.8Å; I42-I45 PolarHBondContact O-N 2.89Å; I42-Q46 WeakPolarHBondContact O-CG 3.27Å; I42-Q46 PolarHBondContact O-N 3.39Å; I42-T78 HydrophobicContact CD1-CG2 4.05Å; I42-V81 HydrophobicContact CB-CG1 4.31Å; I42-V81 HydrophobicContact CG2-CB 4.41Å; I42-V81 HydrophobicContact CG2-CG1 3.62Å; I42-I119 HydrophobicContact CG1-CG1 4.35Å; I42-I119 HydrophobicContact CG1-CG2 4.35Å; I42-I119 HydrophobicContact CG2-CD1 3.87Å; I42-I119 HydrophobicContact CG2-CG1 4.35Å
43	I	95.5	Very high	92.5	Very high	51 Å²	51	59 Å²	59	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-44.7	177.8	-69.3	167.1	0	0	0	111	K39 S40 A41 Q46 K47 V81	K39-I43 HydrophobicContact CG-CD1 4.09Å; K39-I43 WeakPolarHBondContact O-CG1 3.44Å; K39-I43 PolarHBondContact O-N 3.35Å; S40-I43 PolarHBondContact O-N 3.31Å; A41-I43 VanDerWaalsContact C-N 3.3Å; A41-I43 PolarHBondContact O-N 2.92Å; I43-Q46 PolarHBondContact O-N 3.48Å; I43-K47 HydrophobicContact CG2-CD 4.35Å; I43-K47 WeakPolarHBondContact O-CG 3.49Å; I43-K47 PolarHBondContact O-N 3.38Å; I43-V81 HydrophobicContact CG1-CG1 3.85Å
44	E	95.3	Very high	92.6	Very high	56 Å²	56	56.2 Å²	56.2	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-69.1	-34.8	178.9	-69.4	-52.8	119.6	0	0	112.4	S40 A41 K47 K48 N49 L53	S40-E44 PolarHBondContact O-N 3.43Å; A41-E44 PolarHBondContact O-N 2.81Å; E44-K47 CarbonylContact O-C 3.44Å; E44-K47 PolarHBondContact O-N 3.05Å; E44-K47 IonicContact OE1-NZ 2.78Å; E44-K47 PolarHBondContact OE1-NZ 3.25Å; E44-K48 PolarHBondContact O-N 3.42Å; E44-K48 VanDerWaalsContact O-N 3.14Å; E44-N49 HydrophobicContact CB-CB 4.28Å; E44-N49 PolarHBondContact O-N 3.46Å; E44-N49 WeakPolarHBondContact OE2-CB 3.2Å; E44-N49 PolarHBondContact OE2-ND2 2.89Å; E44-L53 HydrophobicContact CB-CD1 4.4Å
45	I	95.2	Very high	92.5	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-45.7	171.4	-70.2	164.8	0	0	0	110.8	A41 I42 K47 K48 N50 L53 A115 M118 I119 I122	A41-I45 VanDerWaalsContact O-CG1 3.29Å; A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 2.69Å; I42-I45 PolarHBondContact O-N 2.89Å; I45-K47 VanDerWaalsContact C-N 3.27Å; I45-K47 PolarHBondContact O-N 3.33Å; I45-K48 WeakPolarHBondContact O-CA 3.31Å; I45-K48 PolarHBondContact O-N 2.95Å; I45-N50 HydrophobicContact CG1-CB 3.96Å; I45-L53 HydrophobicContact CD1-CD1 4.19Å; I45-L53 HydrophobicContact CG1-CD1 3.7Å; I45-A115 HydrophobicContact CG2-CB 3.91Å; I45-M118 HydrophobicContact CD1-CB 4.37Å; I45-M118 HydrophobicContact CG2-CB 4Å; I45-M118 HydrophobicContact CG2-SD 4.02Å; I45-I119 HydrophobicContact CD1-CG1 4.41Å; I45-I119 HydrophobicContact CG2-CG1 4.21Å; I45-I122 HydrophobicContact CD1-CD1 3.37Å
46	Q	93.7	Very high	92.4	Very high	17 Å²	17	65.2 Å²	65.2	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-31	177.5	-75.6	174.5	-24	0	0	112.9	I42 I43 K48 H85 I119	I42-Q46 WeakPolarHBondContact O-CG 3.27Å; I42-Q46 PolarHBondContact O-N 3.39Å; I43-Q46 PolarHBondContact O-N 3.48Å; Q46-K48 VanDerWaalsContact C-N 3.26Å; Q46-K48 PolarHBondContact O-N 2.85Å; Q46-H85 VanDerWaalsContact OE1-CB 3.3Å; Q46-I119 HydrophobicContact CG-CD1 4.48Å
47	K	92.7	Very high	92.4	Very high	113 Å²	113	66.3 Å²	66.3	49%	0.491	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	0.4	171.6	-67.3	178.1	-165.6	160.3	0	114.2	I43 E44 I45 N49	I43-K47 HydrophobicContact CG2-CD 4.35Å; I43-K47 WeakPolarHBondContact O-CG 3.49Å; I43-K47 PolarHBondContact O-N 3.38Å; E44-K47 CarbonylContact O-C 3.44Å; E44-K47 PolarHBondContact O-N 3.05Å; E44-K47 IonicContact OE1-NZ 2.78Å; E44-K47 PolarHBondContact OE1-NZ 3.25Å; I45-K47 VanDerWaalsContact C-N 3.27Å; I45-K47 PolarHBondContact O-N 3.33Å; K47-N49 VanDerWaalsContact C-N 3.29Å; K47-N49 PolarHBondContact O-N 3.5Å
48	K	92.6	Very high	92.4	Very high	121 Å²	121	62.7 Å²	62.7	53%	0.526	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	23.8	-174.8	-45.3	-178.5	-170.2	-175.2	0	114.7	E44 I45 Q46 D111	E44-K48 PolarHBondContact O-N 3.42Å; E44-K48 VanDerWaalsContact O-N 3.14Å; I45-K48 WeakPolarHBondContact O-CA 3.31Å; I45-K48 PolarHBondContact O-N 2.95Å; Q46-K48 VanDerWaalsContact C-N 3.26Å; Q46-K48 PolarHBondContact O-N 2.85Å; K48-D111 VanDerWaalsContact CE-OD1 3.22Å; K48-D111 WeakPolarHBondContact CE-OD1 3.31Å; K48-D111 VanDerWaalsContact CE-OD2 3.24Å; K48-D111 WeakPolarHBondContact CE-OD2 3.41Å; K48-D111 IonicContact NZ-OD1 3.76Å; K48-D111 PolarHBondContact NZ-OD1 3.2Å; K48-D111 IonicContact NZ-OD2 2.69Å; K48-D111 PolarHBondContact NZ-OD2 2.89Å
49	N	90.9	Very high	92.4	Very high	91 Å²	91	65.8 Å²	65.8	49%	0.487	35%	0.345	S	S	.	.			trans	-104.3	50.8	-179.5	-68.5	-18.1	0	0	0	112.1	E44 K47	E44-N49 HydrophobicContact CB-CB 4.28Å; E44-N49 PolarHBondContact O-N 3.46Å; E44-N49 WeakPolarHBondContact OE2-CB 3.2Å; E44-N49 PolarHBondContact OE2-ND2 2.89Å; K47-N49 VanDerWaalsContact C-N 3.29Å; K47-N49 PolarHBondContact O-N 3.5Å
50	N	85.5	Confident	92.2	Very high	45 Å²	45	69.8 Å²	69.8	24%	0.241	36%	0.358	C	S	.	.			trans	-96	-0.6	-170.6	56.8	37.7	0	0	0	115.6	I45 C52 L53 M118	I45-N50 HydrophobicContact CG1-CB 3.96Å; N50-C52 PolarHBondContact O-N 3.43Å; N50-L53 HydrophobicContact CB-CD1 3.97Å; N50-L53 PolarHBondContact O-N 3.36Å; N50-M118 PolarHBondContact ND2-SD 2.85Å
51	S	85.7	Confident	92.2	Very high	112 Å²	112	67.3 Å²	67.3	78%	0.783	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.6	-173.6	54.5	0	0	0	0	115
52	C	83.9	Confident	92	Very high	122 Å²	122	67.1 Å²	67.1	82%	0.824	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	3.3	-178.1	-59.4	0	0	0	0	113.2	N50	N50-C52 PolarHBondContact O-N 3.43Å
53	L	89.4	Confident	91.9	Very high	47 Å²	47	71.2 Å²	71.2	25%	0.246	35%	0.354	C	S	.	.			trans	-87	132.4	-176.6	-62.4	176	0	0	0	111.4	A41 E44 I45 N50 F55 L58	A41-L53 HydrophobicContact CB-CD1 4.13Å; A41-L53 HydrophobicContact CB-CD2 4.01Å; E44-L53 HydrophobicContact CB-CD1 4.4Å; I45-L53 HydrophobicContact CD1-CD1 4.19Å; I45-L53 HydrophobicContact CG1-CD1 3.7Å; N50-L53 HydrophobicContact CB-CD1 3.97Å; N50-L53 PolarHBondContact O-N 3.36Å; L53-F55 HydrophobicContact CB-CE2 4.45Å; L53-F55 PolarHBondContact O-N 3.17Å; L53-L58 HydrophobicContact CB-CD1 4.21Å
54	S	92.8	Very high	91.7	Very high	56 Å²	56	70.6 Å²	70.6	39%	0.392	35%	0.353	S	S	.	.			trans	-85.9	100.5	169.6	178.7	0	0	0	0	110.3	E56 E57 L58	S54-E56 PolarHBondContact O-N 3.43Å; S54-E57 PolarHBondContact O-N 3.01Å; S54-E57 WeakPolarHBondContact OG-CB 3.25Å; S54-E57 PolarHBondContact OG-N 3.35Å; S54-L58 VanDerWaalsContact O-CG 3.3Å; S54-L58 WeakPolarHBondContact O-CG 3.27Å; S54-L58 PolarHBondContact O-N 3.48Å
55	F	91.5	Very high	91.6	Very high	78 Å²	78	68 Å²	68	34%	0.342	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-33.5	179.2	-79.3	-108.3	0	0	0	112.5	L53 Y59 M118 I122	L53-F55 HydrophobicContact CB-CE2 4.45Å; L53-F55 PolarHBondContact O-N 3.17Å; F55-Y59 VanDerWaalsContact O-CB 3.28Å; F55-Y59 WeakPolarHBondContact O-CB 3.14Å; F55-Y59 PolarHBondContact O-N 3.16Å; F55-M118 HydrophobicContact CE1-CB 4.05Å; F55-M118 HydrophobicContact CE1-CG 4.4Å; F55-M118 HydrophobicContact CZ-CB 4.36Å; F55-M118 HydrophobicContact CZ-CG 4.42Å; F55-I122 HydrophobicContact CD1-CD1 3.9Å; F55-I122 HydrophobicContact CD1-CG1 3.55Å; F55-I122 HydrophobicContact CE1-CD1 3.84Å; F55-I122 HydrophobicContact CE1-CG1 3.93Å; F55-I122 HydrophobicContact CG-CG1 4.38Å
56	E	92.1	Very high	91.4	Very high	137 Å²	137	68.7 Å²	68.7	64%	0.64	34%	0.344	S	S	*	.	H	α-helix	trans	-66.8	-44.6	177.1	-170.4	-169.9	159	0	0	111.5	S54 Y59 R60	S54-E56 PolarHBondContact O-N 3.43Å; E56-Y59 PolarHBondContact O-N 3.35Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 3.04Å
57	E	93	Very high	91.2	Very high	103 Å²	103	72.6 Å²	72.6	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-46.4	177.7	-173.7	179	175.3	0	0	110.9	S54 Y59 R60 N61	S54-E57 PolarHBondContact O-N 3.01Å; S54-E57 WeakPolarHBondContact OG-CB 3.25Å; S54-E57 PolarHBondContact OG-N 3.35Å; E57-Y59 VanDerWaalsContact C-N 3.33Å; E57-Y59 PolarHBondContact O-N 3.42Å; E57-R60 PolarHBondContact O-N 3.37Å; E57-R60 VanDerWaalsContact O-N 3.12Å; E57-N61 PolarHBondContact O-N 3.4Å; E57-N61 PolarHBondContact O-OD1 3.3Å
58	L	93.8	Very high	90.9	Very high	13 Å²	13	69.6 Å²	69.6	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-40.6	177.5	-65.6	169	0	0	0	112	A41 L53 S54 N61 A62 I122	A41-L58 HydrophobicContact CB-CD1 3.45Å; A41-L58 VanDerWaalsContact CB-CD1 3.45Å; A41-L58 HydrophobicContact CB-CD2 3.55Å; A41-L58 HydrophobicContact CB-CG 4.15Å; L53-L58 HydrophobicContact CB-CD1 4.21Å; S54-L58 VanDerWaalsContact O-CG 3.3Å; S54-L58 WeakPolarHBondContact O-CG 3.27Å; S54-L58 PolarHBondContact O-N 3.48Å; L58-N61 PolarHBondContact O-N 2.96Å; L58-A62 PolarHBondContact O-N 2.95Å; L58-I122 HydrophobicContact CB-CG1 4.43Å; L58-I122 HydrophobicContact CB-CG2 3.68Å; L58-I122 HydrophobicContact CD1-CD1 3.96Å
59	Y	94.8	Very high	90.8	Very high	67 Å²	67	73.2 Å²	73.2	26%	0.263	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-42.8	173.3	175.6	-91.7	0	0	0	111.9	F55 E56 E57 N61 A62 Y63 I122 M124	F55-Y59 VanDerWaalsContact O-CB 3.28Å; F55-Y59 WeakPolarHBondContact O-CB 3.14Å; F55-Y59 PolarHBondContact O-N 3.16Å; E56-Y59 PolarHBondContact O-N 3.35Å; E57-Y59 VanDerWaalsContact C-N 3.33Å; E57-Y59 PolarHBondContact O-N 3.42Å; Y59-N61 VanDerWaalsContact C-N 3.32Å; Y59-N61 PolarHBondContact O-N 3.24Å; Y59-A62 PolarHBondContact O-N 3.42Å; Y59-Y63 VanDerWaalsContact O-CB 3.3Å; Y59-Y63 WeakPolarHBondContact O-CB 3.41Å; Y59-Y63 PolarHBondContact O-N 3.38Å; Y59-I122 WeakPolarHBondContact CD2-O 3.43Å; Y59-M124 HydrophobicContact CD2-CE 4.47Å; Y59-M124 HydrophobicContact CE2-CB 4.18Å; Y59-M124 HydrophobicContact CE2-CE 3.74Å
60	R	93	Very high	90.7	Very high	157 Å²	157	71 Å²	71	59%	0.592	36%	0.355	S	S	*	.	H	α-helix	trans	-65.6	-34.9	176.7	-72.6	178.7	73.1	-176.9	0.9	112.3	E56 E57 T64	E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 3.04Å; E57-R60 PolarHBondContact O-N 3.37Å; E57-R60 VanDerWaalsContact O-N 3.12Å; R60-T64 WeakPolarHBondContact O-CB 3.42Å; R60-T64 PolarHBondContact O-N 2.97Å; R60-T64 PolarHBondContact O-OG1 3.02Å
61	N	93.2	Very high	90.9	Very high	17 Å²	17	69 Å²	69	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-48.3	174.3	-68.3	-8.4	0	0	0	110.7	L34 Q37 I38 E57 L58 Y59 Y63 T64 L65	L34-N61 HydrophobicContact CD2-CB 4.14Å; Q37-N61 PolarHBondContact OE1-ND2 3.29Å; I38-N61 HydrophobicContact CD1-CB 3.98Å; I38-N61 HydrophobicContact CG1-CB 4.11Å; E57-N61 PolarHBondContact O-N 3.4Å; E57-N61 PolarHBondContact O-OD1 3.3Å; L58-N61 PolarHBondContact O-N 2.96Å; Y59-N61 VanDerWaalsContact C-N 3.32Å; Y59-N61 PolarHBondContact O-N 3.24Å; N61-Y63 PolarHBondContact O-N 3.03Å; N61-T64 PolarHBondContact O-N 2.98Å; N61-L65 PolarHBondContact O-N 2.89Å
62	A	92.7	Very high	91.3	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-44.1	176.1	0	0	0	0	0	111.8	I38 L58 Y59 T64 L65 I66 L74 L123	I38-A62 HydrophobicContact CD1-CB 4.01Å; L58-A62 PolarHBondContact O-N 2.95Å; Y59-A62 PolarHBondContact O-N 3.42Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.07Å; A62-L65 PolarHBondContact O-N 3Å; A62-I66 VanDerWaalsContact O-CG1 3.32Å; A62-I66 WeakPolarHBondContact O-CG1 3.43Å; A62-I66 PolarHBondContact O-N 3.24Å; A62-L74 HydrophobicContact CB-CD2 4.06Å; A62-L123 HydrophobicContact CB-CD2 3.79Å
63	Y	92.6	Very high	91.6	Very high	89 Å²	89	69 Å²	69	35%	0.349	32%	0.317	S	S	.	.	H	α-helix	trans	-56	-45.8	174.7	173	-91.4	0	0	0	111.6	Y59 N61 I66 L67 Y125	Y59-Y63 VanDerWaalsContact O-CB 3.3Å; Y59-Y63 WeakPolarHBondContact O-CB 3.41Å; Y59-Y63 PolarHBondContact O-N 3.38Å; N61-Y63 PolarHBondContact O-N 3.03Å; Y63-I66 PolarHBondContact O-N 3.33Å; Y63-L67 HydrophobicContact CE1-CD2 4.02Å; Y63-L67 WeakPolarHBondContact O-CB 3.22Å; Y63-L67 PolarHBondContact O-N 3.44Å; Y63-Y125 AromaticContact CD2-CD1 3.66Å; Y63-Y125 HydrophobicContact CD2-CD1 3.66Å; Y63-Y125 AromaticContact CD2-CD2 3.73Å; Y63-Y125 HydrophobicContact CD2-CD2 3.73Å; Y63-Y125 AromaticContact CD2-CE1 3.62Å; Y63-Y125 HydrophobicContact CD2-CE1 3.62Å; Y63-Y125 AromaticContact CD2-CE2 3.7Å; Y63-Y125 HydrophobicContact CD2-CE2 3.7Å; Y63-Y125 AromaticContact CD2-CG 3.71Å; Y63-Y125 HydrophobicContact CD2-CG 3.71Å; Y63-Y125 AromaticContact CD2-CZ 3.64Å; Y63-Y125 HydrophobicContact CE2-CD1 4.35Å; Y63-Y125 HydrophobicContact CE2-CD2 4.11Å; Y63-Y125 AromaticContact CE2-CE1 3.86Å; Y63-Y125 HydrophobicContact CE2-CE1 3.86Å; Y63-Y125 AromaticContact CE2-CE2 3.6Å; Y63-Y125 HydrophobicContact CE2-CE2 3.6Å; Y63-Y125 HydrophobicContact CE2-CG 4.46Å; Y63-Y125 AromaticContact CE2-CZ 3.46Å; Y63-Y125 VanDerWaalsContact CE2-CZ 3.46Å; Y63-Y125 HydrophobicContact CG-CD1 4.39Å; Y63-Y125 HydrophobicContact CG-CE1 4.49Å
64	T	92.1	Very high	91.9	Very high	38 Å²	38	66.8 Å²	66.8	23%	0.233	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-46.1	-179.3	-60.8	0	0	0	0	110.7	I26 L34 R60 N61 A62 I66 L67 Q68	I26-T64 HydrophobicContact CD1-CG2 3.69Å; L34-T64 HydrophobicContact CD1-CG2 3.89Å; R60-T64 WeakPolarHBondContact O-CB 3.42Å; R60-T64 PolarHBondContact O-N 2.97Å; R60-T64 PolarHBondContact O-OG1 3.02Å; N61-T64 PolarHBondContact O-N 2.98Å; A62-T64 VanDerWaalsContact C-N 3.3Å; A62-T64 PolarHBondContact O-N 3.07Å; T64-I66 VanDerWaalsContact C-N 3.31Å; T64-I66 PolarHBondContact O-N 2.98Å; T64-L67 PolarHBondContact O-N 3.47Å; T64-Q68 HydrophobicContact CG2-CG 4.33Å; T64-Q68 WeakPolarHBondContact O-CB 3.34Å; T64-Q68 WeakPolarHBondContact O-CG 3.41Å; T64-Q68 PolarHBondContact O-N 3.34Å
65	L	91.8	Very high	92	Very high	3 Å²	3	65 Å²	65	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-57.7	-42.2	176.2	-73.9	174.2	0	0	0	112.6	A31 L34 W35 I38 N61 A62 Q68 K69 H70 L74	A31-L65 HydrophobicContact CB-CD2 4.05Å; L34-L65 HydrophobicContact CB-CD1 4.23Å; L34-L65 HydrophobicContact CB-CD2 4.12Å; L34-L65 HydrophobicContact CB-CG 4.13Å; L34-L65 HydrophobicContact CD1-CD2 4.33Å; L34-L65 HydrophobicContact CD1-CG 4.37Å; W35-L65 HydrophobicContact CB-CD1 4.43Å; I38-L65 HydrophobicContact CD1-CD1 3.69Å; N61-L65 PolarHBondContact O-N 2.89Å; A62-L65 PolarHBondContact O-N 3Å; L65-Q68 CarbonylContact O-C 3.52Å; L65-Q68 PolarHBondContact O-N 3.01Å; L65-K69 PolarHBondContact O-N 3.37Å; L65-H70 HydrophobicContact CB-CB 4.45Å; L65-H70 HydrophobicContact CD2-CB 4.21Å; L65-H70 WeakPolarHBondContact O-CA 3.15Å; L65-H70 WeakPolarHBondContact O-CB 3.28Å; L65-H70 PolarHBondContact O-N 3.41Å; L65-L74 HydrophobicContact CB-CD2 4.38Å; L65-L74 HydrophobicContact CD1-CD1 4.01Å
66	I	91.5	Very high	92.2	Very high	17 Å²	17	63.5 Å²	63.5	9%	0.087	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-46.3	178.7	-63.2	-73.3	0	0	0	111.3	A62 Y63 T64 Q68 K69 L74 Y125 M126 V129 Y130	A62-I66 VanDerWaalsContact O-CG1 3.32Å; A62-I66 WeakPolarHBondContact O-CG1 3.43Å; A62-I66 PolarHBondContact O-N 3.24Å; Y63-I66 PolarHBondContact O-N 3.33Å; T64-I66 VanDerWaalsContact C-N 3.31Å; T64-I66 PolarHBondContact O-N 2.98Å; I66-Q68 PolarHBondContact O-N 3.24Å; I66-Q68 VanDerWaalsContact O-N 3.15Å; I66-K69 PolarHBondContact O-N 3.32Å; I66-L74 HydrophobicContact CD1-CD2 4.04Å; I66-L74 HydrophobicContact CG1-CD2 3.98Å; I66-Y125 HydrophobicContact CB-CD1 3.85Å; I66-Y125 HydrophobicContact CB-CE1 3.96Å; I66-Y125 HydrophobicContact CG1-CD1 4.28Å; I66-Y125 HydrophobicContact CG2-CD1 3.79Å; I66-Y125 HydrophobicContact CG2-CE1 3.59Å; I66-M126 HydrophobicContact CD1-CB 3.74Å; I66-M126 HydrophobicContact CD1-CG 3.61Å; I66-M126 HydrophobicContact CD1-SD 4.32Å; I66-M126 HydrophobicContact CG1-CB 4.05Å; I66-M126 HydrophobicContact CG1-CG 4.45Å; I66-V129 HydrophobicContact CG2-CG1 4.4Å; I66-Y130 HydrophobicContact CD1-CG 4.18Å
67	L	89.4	Confident	92.4	Very high	98 Å²	98	57.7 Å²	57.7	51%	0.513	27%	0.269	S	S	.	.	H	α-helix	trans	-57.5	-31.7	177.9	-173.5	66.8	0	0	0	111.7	Y63 T64 K69	Y63-L67 HydrophobicContact CE1-CD2 4.02Å; Y63-L67 WeakPolarHBondContact O-CB 3.22Å; Y63-L67 PolarHBondContact O-N 3.44Å; T64-L67 PolarHBondContact O-N 3.47Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.05Å
68	Q	87.7	Confident	92.6	Very high	50 Å²	50	52.8 Å²	52.8	23%	0.234	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	18	-178	-60.7	-119.7	2.9	0	0	113.5	I26 T64 L65 I66 H70	I26-Q68 HydrophobicContact CD1-CB 4.4Å; I26-Q68 HydrophobicContact CD1-CG 3.7Å; I26-Q68 VanDerWaalsContact CD1-OE1 3.26Å; I26-Q68 HydrophobicContact CG1-CG 4.35Å; T64-Q68 HydrophobicContact CG2-CG 4.33Å; T64-Q68 WeakPolarHBondContact O-CB 3.34Å; T64-Q68 WeakPolarHBondContact O-CG 3.41Å; T64-Q68 PolarHBondContact O-N 3.34Å; L65-Q68 CarbonylContact O-C 3.52Å; L65-Q68 PolarHBondContact O-N 3.01Å; I66-Q68 PolarHBondContact O-N 3.24Å; I66-Q68 VanDerWaalsContact O-N 3.15Å; Q68-H70 VanDerWaalsContact C-N 3.28Å; Q68-H70 PolarHBondContact O-CD2 3.47Å; Q68-H70 PolarHBondContact O-N 3.32Å
69	K	88.7	Confident	92.7	Very high	197 Å²	197	54.5 Å²	54.5	86%	0.857	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	22.2	177.2	-54.8	-172.9	175.7	-173.6	0	115.3	L65 I66 L67 G71	L65-K69 PolarHBondContact O-N 3.37Å; I66-K69 PolarHBondContact O-N 3.32Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.05Å; K69-G71 VanDerWaalsContact C-N 3.32Å; K69-G71 PolarHBondContact O-N 3.23Å
70	H	90.5	Very high	92.8	Very high	46 Å²	46	54 Å²	54	21%	0.213	26%	0.263	C	S	.	.			trans	-95.2	30.1	173.1	-64.3	-68.7	0	0	0	113.2	L65 Q68 R73 L74	L65-H70 HydrophobicContact CB-CB 4.45Å; L65-H70 HydrophobicContact CD2-CB 4.21Å; L65-H70 WeakPolarHBondContact O-CA 3.15Å; L65-H70 WeakPolarHBondContact O-CB 3.28Å; L65-H70 PolarHBondContact O-N 3.41Å; Q68-H70 VanDerWaalsContact C-N 3.28Å; Q68-H70 PolarHBondContact O-CD2 3.47Å; Q68-H70 PolarHBondContact O-N 3.32Å; H70-R73 PolarHBondContact O-N 2.93Å; H70-L74 PolarHBondContact O-N 3.16Å; H70-L74 VanDerWaalsContact O-N 3.08Å
71	G	89.9	Confident	93	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-39.1	-176.7	0	0	0	0	0	114.5	K69 R73 L74 Y75 Y130	K69-G71 VanDerWaalsContact C-N 3.32Å; K69-G71 PolarHBondContact O-N 3.23Å; G71-R73 VanDerWaalsContact C-N 3.33Å; G71-R73 PolarHBondContact O-N 3.45Å; G71-L74 PolarHBondContact O-N 2.65Å; G71-Y75 WeakPolarHBondContact O-CB 3.46Å; G71-Y75 PolarHBondContact O-N 3Å; G71-Y130 WeakPolarHBondContact O-CE1 3.42Å
72	E	92.5	Very high	93.2	Very high	145 Å²	145	46.1 Å²	46.1	68%	0.678	23%	0.233	S	C	*	.	H	α-helix	trans	-59.7	-47.1	176.6	-176.3	-175.7	176.1	0	0	110.8	L74 Y75 A76 Y130	E72-L74 PolarHBondContact O-N 2.7Å; E72-Y75 PolarHBondContact O-N 2.79Å; E72-A76 VanDerWaalsContact O-CB 3.28Å; E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.14Å; E72-Y130 WeakPolarHBondContact CA-OH 3.43Å; E72-Y130 VanDerWaalsContact CB-OH 3.31Å; E72-Y130 WeakPolarHBondContact CB-OH 3.34Å; E72-Y130 PolarHBondContact N-OH 3.1Å
73	R	91.3	Very high	93.5	Very high	89 Å²	89	50.3 Å²	50.3	34%	0.336	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-43.2	178.3	-177.9	177.1	-177.1	164.9	2.4	112.1	N32 H70 G71 G77	N32-R73 PolarHBondContact OD1-NH1 3.4Å; N32-R73 PolarHBondContact OD1-NH2 2.97Å; H70-R73 PolarHBondContact O-N 2.93Å; G71-R73 VanDerWaalsContact C-N 3.33Å; G71-R73 PolarHBondContact O-N 3.45Å; R73-G77 WeakPolarHBondContact O-CA 3.32Å; R73-G77 PolarHBondContact O-N 2.89Å
74	L	94.5	Very high	93.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-44.3	178.5	-176.3	59.6	0	0	0	110.9	W35 I38 A62 L65 I66 H70 G71 E72 T78 L123 M126	W35-L74 HydrophobicContact CE3-CD1 3.68Å; W35-L74 HydrophobicContact CZ3-CD1 3.72Å; I38-L74 HydrophobicContact CD1-CD1 3.96Å; I38-L74 HydrophobicContact CG2-CD1 4.23Å; A62-L74 HydrophobicContact CB-CD2 4.06Å; L65-L74 HydrophobicContact CB-CD2 4.38Å; L65-L74 HydrophobicContact CD1-CD1 4.01Å; I66-L74 HydrophobicContact CD1-CD2 4.04Å; I66-L74 HydrophobicContact CG1-CD2 3.98Å; H70-L74 PolarHBondContact O-N 3.16Å; H70-L74 VanDerWaalsContact O-N 3.08Å; G71-L74 PolarHBondContact O-N 2.65Å; E72-L74 PolarHBondContact O-N 2.7Å; L74-T78 VanDerWaalsContact O-CB 3.27Å; L74-T78 WeakPolarHBondContact O-CB 3.42Å; L74-T78 PolarHBondContact O-N 3.18Å; L74-T78 PolarHBondContact O-OG1 3.09Å; L74-L123 HydrophobicContact CD1-CD2 4.15Å; L74-L123 HydrophobicContact CD2-CD2 4.17Å; L74-L123 HydrophobicContact CG-CD2 4.34Å; L74-M126 HydrophobicContact CB-SD 3.98Å; L74-M126 HydrophobicContact CD2-CB 4.35Å; L74-M126 HydrophobicContact CD2-SD 3.82Å; L74-M126 HydrophobicContact CG-SD 3.63Å
75	Y	96.4	Very high	93.9	Very high	17 Å²	17	50.9 Å²	50.9	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-57.2	179	-170.7	-85.6	0	0	0	111.8	G71 E72 G77 T78 E79 M126 V131 L136 D137 M142	G71-Y75 WeakPolarHBondContact O-CB 3.46Å; G71-Y75 PolarHBondContact O-N 3Å; E72-Y75 PolarHBondContact O-N 2.79Å; Y75-G77 VanDerWaalsContact C-N 3.3Å; Y75-G77 PolarHBondContact O-N 3.18Å; Y75-T78 WeakPolarHBondContact O-CB 3.3Å; Y75-T78 PolarHBondContact O-N 2.94Å; Y75-T78 VanDerWaalsContact O-N 3.12Å; Y75-E79 PolarHBondContact O-N 3.06Å; Y75-M126 HydrophobicContact CD2-CE 3.82Å; Y75-M126 HydrophobicContact CD2-SD 4.2Å; Y75-V131 HydrophobicContact CD2-CG2 4Å; Y75-V131 HydrophobicContact CE2-CG2 3.9Å; Y75-L136 HydrophobicContact CD1-CD1 3.94Å; Y75-L136 HydrophobicContact CD2-CD1 4.12Å; Y75-L136 HydrophobicContact CE1-CB 4.46Å; Y75-L136 HydrophobicContact CE1-CD1 4.08Å; Y75-L136 HydrophobicContact CE1-CD2 4.31Å; Y75-L136 HydrophobicContact CE2-CB 4.13Å; Y75-L136 HydrophobicContact CE2-CD1 4.25Å; Y75-L136 HydrophobicContact CG-CD1 3.97Å; Y75-D137 VanDerWaalsContact CE2-O 3.24Å; Y75-D137 WeakPolarHBondContact CE2-O 3.31Å; Y75-D137 PolarHBondContact OH-O 2.96Å; Y75-M142 HydrophobicContact CE1-SD 4.32Å; Y75-M142 HydrophobicContact CE2-SD 4.47Å
76	A	95.4	Very high	94.2	Very high	48 Å²	48	50.9 Å²	50.9	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-37.5	-178.9	0	0	0	0	0	112	E72 E79 A80	E72-A76 VanDerWaalsContact O-CB 3.28Å; E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.14Å; A76-E79 PolarHBondContact O-N 2.92Å; A76-A80 WeakPolarHBondContact O-CB 3.35Å; A76-A80 PolarHBondContact O-N 2.8Å
77	G	95.8	Very high	94.5	Very high	14 Å²	14	53.3 Å²	53.3	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-44.7	173.7	0	0	0	0	0	112.1	W35 R73 Y75 A80 V81	W35-G77 WeakPolarHBondContact CH2-O 3.34Å; W35-G77 VanDerWaalsContact CZ2-CA 3.44Å; W35-G77 WeakPolarHBondContact CZ2-O 3.27Å; R73-G77 WeakPolarHBondContact O-CA 3.32Å; R73-G77 PolarHBondContact O-N 2.89Å; Y75-G77 VanDerWaalsContact C-N 3.3Å; Y75-G77 PolarHBondContact O-N 3.18Å; G77-A80 PolarHBondContact O-N 3.33Å; G77-V81 VanDerWaalsContact O-CG2 3.28Å; G77-V81 WeakPolarHBondContact O-CG2 3.49Å; G77-V81 PolarHBondContact O-N 3.14Å; G77-V81 VanDerWaalsContact O-N 3.08Å
78	T	96.6	Very high	94.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-47.2	176.9	-60.4	0	0	0	0	110.3	W35 I42 L74 Y75 A80 V81 V82 I119 L123 M142	W35-T78 VanDerWaalsContact CH2-N 3.3Å; I42-T78 HydrophobicContact CD1-CG2 4.05Å; L74-T78 VanDerWaalsContact O-CB 3.27Å; L74-T78 WeakPolarHBondContact O-CB 3.42Å; L74-T78 PolarHBondContact O-N 3.18Å; L74-T78 PolarHBondContact O-OG1 3.09Å; Y75-T78 WeakPolarHBondContact O-CB 3.3Å; Y75-T78 PolarHBondContact O-N 2.94Å; Y75-T78 VanDerWaalsContact O-N 3.12Å; T78-A80 VanDerWaalsContact C-N 3.33Å; T78-A80 PolarHBondContact O-N 2.81Å; T78-V81 PolarHBondContact O-N 3.38Å; T78-V82 WeakPolarHBondContact O-CG2 3.4Å; T78-V82 PolarHBondContact O-N 3.46Å; T78-I119 HydrophobicContact CG2-CG2 4.15Å; T78-L123 HydrophobicContact CG2-CD1 3.58Å; T78-M142 HydrophobicContact CG2-CE 4.19Å
79	E	96.9	Very high	95.2	Very high	49 Å²	49	53.5 Å²	53.5	23%	0.229	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-45.6	177.2	-167.5	-175.5	168.1	0	0	111.5	Y75 A76 V81 V82 R83 M142 V146	Y75-E79 PolarHBondContact O-N 3.06Å; A76-E79 PolarHBondContact O-N 2.92Å; E79-V81 PolarHBondContact O-N 3.12Å; E79-V82 PolarHBondContact O-N 2.79Å; E79-R83 HydrophobicContact CG-CG 4.39Å; E79-R83 WeakPolarHBondContact O-CB 3.2Å; E79-R83 VanDerWaalsContact O-CG 3.27Å; E79-R83 WeakPolarHBondContact O-CG 3.33Å; E79-R83 PolarHBondContact O-N 2.87Å; E79-R83 IonicContact OE1-CZ 2.79Å; E79-R83 IonicContact OE1-NE 3.27Å; E79-R83 PolarHBondContact OE1-NE 3Å; E79-R83 IonicContact OE1-NH2 3.97Å; E79-R83 PolarHBondContact OE1-NH2 2.8Å; E79-M142 HydrophobicContact CB-SD 3.6Å; E79-M142 HydrophobicContact CG-CG 4.07Å; E79-M142 HydrophobicContact CG-SD 3.8Å; E79-V146 HydrophobicContact CG-CG2 4.41Å
80	A	97.1	Very high	95.6	Very high	57 Å²	57	46.3 Å²	46.3	47%	0.471	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-43.1	179	0	0	0	0	0	112.5	A76 G77 T78 R83 E84	A76-A80 WeakPolarHBondContact O-CB 3.35Å; A76-A80 PolarHBondContact O-N 2.8Å; G77-A80 PolarHBondContact O-N 3.33Å; T78-A80 VanDerWaalsContact C-N 3.33Å; T78-A80 PolarHBondContact O-N 2.81Å; A80-R83 PolarHBondContact O-N 2.96Å; A80-E84 PolarHBondContact O-N 3.29Å
81	V	97	Very high	95.8	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-42.2	177.7	176.2	0	0	0	0	110.8	W35 K39 I42 I43 G77 T78 E79 E84 H85	W35-V81 HydrophobicContact CH2-CG2 4.24Å; W35-V81 HydrophobicContact CZ2-CG2 4.09Å; K39-V81 HydrophobicContact CD-CG2 4.15Å; K39-V81 HydrophobicContact CG-CG2 3.82Å; I42-V81 HydrophobicContact CB-CG1 4.31Å; I42-V81 HydrophobicContact CG2-CB 4.41Å; I42-V81 HydrophobicContact CG2-CG1 3.62Å; I43-V81 HydrophobicContact CG1-CG1 3.85Å; G77-V81 VanDerWaalsContact O-CG2 3.28Å; G77-V81 WeakPolarHBondContact O-CG2 3.49Å; G77-V81 PolarHBondContact O-N 3.14Å; G77-V81 VanDerWaalsContact O-N 3.08Å; T78-V81 PolarHBondContact O-N 3.38Å; E79-V81 PolarHBondContact O-N 3.12Å; V81-E84 PolarHBondContact O-N 3.18Å; V81-H85 PolarHBondContact O-N 3.46Å; V81-H85 VanDerWaalsContact O-N 3.16Å
82	V	97.7	Very high	96	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-44.4	175.6	177.5	0	0	0	0	111.2	T78 E79 E84 H85 M86 M116 M142 V146	T78-V82 WeakPolarHBondContact O-CG2 3.4Å; T78-V82 PolarHBondContact O-N 3.46Å; E79-V82 PolarHBondContact O-N 2.79Å; V82-E84 PolarHBondContact O-N 2.98Å; V82-H85 PolarHBondContact O-N 3.31Å; V82-M86 HydrophobicContact CG1-CG 4.31Å; V82-M86 VanDerWaalsContact O-CG 3.29Å; V82-M86 WeakPolarHBondContact O-CG 3.41Å; V82-M86 PolarHBondContact O-N 3.1Å; V82-M116 HydrophobicContact CG1-SD 4.15Å; V82-M116 HydrophobicContact CG2-SD 3.99Å; V82-M142 HydrophobicContact CG2-CE 4.22Å; V82-V146 HydrophobicContact CG1-CB 4.31Å; V82-V146 HydrophobicContact CG1-CG1 4.12Å
83	R	98.1	Very high	96.1	Very high	89 Å²	89	41.8 Å²	41.8	34%	0.336	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-46	176.7	-74.3	175.7	174.2	-81.5	-1.3	112.3	E79 A80 H85 M86 I87 V146 L150	E79-R83 HydrophobicContact CG-CG 4.39Å; E79-R83 WeakPolarHBondContact O-CB 3.2Å; E79-R83 VanDerWaalsContact O-CG 3.27Å; E79-R83 WeakPolarHBondContact O-CG 3.33Å; E79-R83 PolarHBondContact O-N 2.87Å; E79-R83 IonicContact OE1-CZ 2.79Å; E79-R83 IonicContact OE1-NE 3.27Å; E79-R83 PolarHBondContact OE1-NE 3Å; E79-R83 IonicContact OE1-NH2 3.97Å; E79-R83 PolarHBondContact OE1-NH2 2.8Å; A80-R83 PolarHBondContact O-N 2.96Å; R83-H85 VanDerWaalsContact C-N 3.32Å; R83-H85 PolarHBondContact O-N 3.33Å; R83-M86 PolarHBondContact O-N 2.97Å; R83-I87 WeakPolarHBondContact O-CG1 3.36Å; R83-I87 PolarHBondContact O-N 2.84Å; R83-V146 HydrophobicContact CB-CG1 4.34Å; R83-V146 HydrophobicContact CG-CG1 3.65Å; R83-V146 HydrophobicContact CG-CG2 4.01Å; R83-L150 HydrophobicContact CB-CD1 4Å; R83-L150 HydrophobicContact CG-CD1 4Å
84	E	96.9	Very high	96.3	Very high	99 Å²	99	39.6 Å²	39.6	46%	0.463	21%	0.21	S	C	.	.	H	α-helix	trans	-61.3	-41.4	179.5	-164.5	-160	139.9	0	0	111.7	A80 V81 V82 K88	A80-E84 PolarHBondContact O-N 3.29Å; V81-E84 PolarHBondContact O-N 3.18Å; V82-E84 PolarHBondContact O-N 2.98Å; E84-K88 IonicContact OE1-NZ 3.7Å; E84-K88 PolarHBondContact OE1-NZ 3Å
85	H	97.1	Very high	96.2	Very high	40 Å²	40	47.1 Å²	47.1	19%	0.185	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-42.5	176.1	-177.4	60	0	0	0	112.1	Q46 V81 V82 R83 I87 K88 I89	Q46-H85 VanDerWaalsContact OE1-CB 3.3Å; V81-H85 PolarHBondContact O-N 3.46Å; V81-H85 VanDerWaalsContact O-N 3.16Å; V82-H85 PolarHBondContact O-N 3.31Å; R83-H85 VanDerWaalsContact C-N 3.32Å; R83-H85 PolarHBondContact O-N 3.33Å; H85-I87 VanDerWaalsContact C-N 3.27Å; H85-I87 PolarHBondContact O-N 3.41Å; H85-K88 WeakPolarHBondContact O-CB 3.32Å; H85-K88 PolarHBondContact O-N 3.37Å; H85-I89 PolarHBondContact O-N 3.27Å
86	M	97.3	Very high	95.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-31.9	178.7	-71.7	-60	103	0	0	113.3	V82 R83 I89 R90 H112 V146 F147 L150 V151	V82-M86 HydrophobicContact CG1-CG 4.31Å; V82-M86 VanDerWaalsContact O-CG 3.29Å; V82-M86 WeakPolarHBondContact O-CG 3.41Å; V82-M86 PolarHBondContact O-N 3.1Å; R83-M86 PolarHBondContact O-N 2.97Å; M86-I89 HydrophobicContact CE-CB 4.46Å; M86-I89 HydrophobicContact CE-CG1 4Å; M86-I89 PolarHBondContact O-N 3.37Å; M86-R90 WeakPolarHBondContact O-CB 3.42Å; M86-R90 PolarHBondContact O-N 3.44Å; M86-H112 VanDerWaalsContact CE-ND1 3.32Å; M86-H112 WeakPolarHBondContact CE-ND1 3.34Å; M86-V146 HydrophobicContact CB-CG1 4.13Å; M86-V146 HydrophobicContact CG-CG1 3.85Å; M86-F147 HydrophobicContact SD-CB 4.31Å; M86-F147 HydrophobicContact SD-CD2 3.47Å; M86-F147 WeakPolarHBondContact SD-CD2 3.39Å; M86-F147 HydrophobicContact SD-CE2 4.21Å; M86-F147 HydrophobicContact SD-CG 4.28Å; M86-L150 HydrophobicContact CB-CB 4.34Å; M86-L150 HydrophobicContact CB-CD1 4.18Å; M86-V151 HydrophobicContact CB-CG2 4.3Å; M86-V151 HydrophobicContact SD-CG2 4.14Å
87	I	96.9	Very high	95.6	Very high	69 Å²	69	47.5 Å²	47.5	35%	0.354	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-44.4	171.8	-73.2	168.6	0	0	0	111.1	R83 H85 R90 D91 L150	R83-I87 WeakPolarHBondContact O-CG1 3.36Å; R83-I87 PolarHBondContact O-N 2.84Å; H85-I87 VanDerWaalsContact C-N 3.27Å; H85-I87 PolarHBondContact O-N 3.41Å; I87-R90 WeakPolarHBondContact O-CB 3.37Å; I87-R90 PolarHBondContact O-N 2.92Å; I87-D91 VanDerWaalsContact O-CG 3.28Å; I87-D91 PolarHBondContact O-N 2.64Å; I87-D91 VanDerWaalsContact O-N 3.09Å; I87-L150 HydrophobicContact CG1-CD1 4.3Å
88	K	96	Very high	95.1	Very high	117 Å²	117	54.5 Å²	54.5	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-40.7	178.1	-63.1	171.1	-171.1	164.3	0	111.5	E84 H85 D91 S92	E84-K88 IonicContact OE1-NZ 3.7Å; E84-K88 PolarHBondContact OE1-NZ 3Å; H85-K88 WeakPolarHBondContact O-CB 3.32Å; H85-K88 PolarHBondContact O-N 3.37Å; K88-D91 PolarHBondContact O-N 2.67Å; K88-S92 PolarHBondContact O-N 3.25Å; K88-S92 VanDerWaalsContact O-N 3.1Å
89	I	96.2	Very high	94.4	Very high	34 Å²	34	59.4 Å²	59.4	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-43.7	175.9	-65.3	-60.9	0	0	0	111.2	H85 M86 D91 S92 I93 C108	H85-I89 PolarHBondContact O-N 3.27Å; M86-I89 HydrophobicContact CE-CB 4.46Å; M86-I89 HydrophobicContact CE-CG1 4Å; M86-I89 PolarHBondContact O-N 3.37Å; I89-D91 PolarHBondContact O-N 3.15Å; I89-S92 PolarHBondContact O-N 3.39Å; I89-I93 HydrophobicContact CG2-CD1 3.72Å; I89-I93 HydrophobicContact CG2-CG1 4.45Å; I89-I93 WeakPolarHBondContact O-CG1 3.42Å; I89-I93 PolarHBondContact O-N 2.67Å; I89-C108 HydrophobicContact CG2-CB 3.97Å
90	R	96.6	Very high	93.8	Very high	47 Å²	47	64.7 Å²	64.7	18%	0.177	32%	0.324	C	S	.	.	H	α-helix	trans	-54.4	-52	174.4	175.3	-158	69.2	-164.6	1.7	111	M86 I87 S92 I93 V94 L150 V151 Y154 I157	M86-R90 WeakPolarHBondContact O-CB 3.42Å; M86-R90 PolarHBondContact O-N 3.44Å; I87-R90 WeakPolarHBondContact O-CB 3.37Å; I87-R90 PolarHBondContact O-N 2.92Å; R90-S92 VanDerWaalsContact C-N 3.31Å; R90-S92 PolarHBondContact O-N 3.08Å; R90-I93 PolarHBondContact O-N 3.29Å; R90-I93 VanDerWaalsContact O-N 3.09Å; R90-V94 WeakPolarHBondContact O-CG2 3.36Å; R90-V94 PolarHBondContact O-N 3.36Å; R90-L150 WeakPolarHBondContact CD-O 3.24Å; R90-L150 WeakPolarHBondContact CG-O 3.28Å; R90-V151 HydrophobicContact CB-CG2 4.33Å; R90-Y154 HydrophobicContact CG-CD1 4.11Å; R90-Y154 HydrophobicContact CG-CD2 4.44Å; R90-Y154 HydrophobicContact CG-CG 4.02Å; R90-I157 HydrophobicContact CG-CD1 3.96Å
91	D	95.7	Very high	93.7	Very high	64 Å²	64	62.5 Å²	62.5	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-41.2	-176.8	-63.5	-16.4	0	0	0	111	I87 K88 I89 I93 V94 E95	I87-D91 VanDerWaalsContact O-CG 3.28Å; I87-D91 PolarHBondContact O-N 2.64Å; I87-D91 VanDerWaalsContact O-N 3.09Å; K88-D91 PolarHBondContact O-N 2.67Å; I89-D91 PolarHBondContact O-N 3.15Å; D91-I93 VanDerWaalsContact C-N 3.34Å; D91-I93 PolarHBondContact O-N 3.42Å; D91-V94 WeakPolarHBondContact O-CB 3.22Å; D91-V94 PolarHBondContact O-N 2.93Å; D91-E95 WeakPolarHBondContact O-CG 3.5Å; D91-E95 PolarHBondContact O-N 3.09Å
92	S	94.6	Very high	93.5	Very high	33 Å²	33	62.9 Å²	62.9	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-36.4	173.5	-168.2	0	0	0	0	113.3	K88 I89 R90 E95 N96 Y104	K88-S92 PolarHBondContact O-N 3.25Å; K88-S92 VanDerWaalsContact O-N 3.1Å; I89-S92 PolarHBondContact O-N 3.39Å; R90-S92 VanDerWaalsContact C-N 3.31Å; R90-S92 PolarHBondContact O-N 3.08Å; S92-E95 PolarHBondContact O-N 3.33Å; S92-N96 PolarHBondContact O-N 3.47Å; S92-N96 PolarHBondContact O-ND2 3.02Å; S92-Y104 PolarHBondContact OG-OH 2.91Å
93	I	95.1	Very high	93.3	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-39.8	175.4	-69.5	161.4	0	0	0	110.8	I89 R90 D91 E95 N96 L97 F101 Y104 L105 C108 V151 I157	I89-I93 HydrophobicContact CG2-CD1 3.72Å; I89-I93 HydrophobicContact CG2-CG1 4.45Å; I89-I93 WeakPolarHBondContact O-CG1 3.42Å; I89-I93 PolarHBondContact O-N 2.67Å; R90-I93 PolarHBondContact O-N 3.29Å; R90-I93 VanDerWaalsContact O-N 3.09Å; D91-I93 VanDerWaalsContact C-N 3.34Å; D91-I93 PolarHBondContact O-N 3.42Å; I93-E95 VanDerWaalsContact C-N 3.29Å; I93-E95 PolarHBondContact O-N 3.06Å; I93-N96 CarbonylContact O-C 3.58Å; I93-N96 PolarHBondContact O-N 3.25Å; I93-L97 PolarHBondContact O-N 3.49Å; I93-F101 HydrophobicContact CG2-CD2 4.17Å; I93-F101 HydrophobicContact CG2-CE2 3.68Å; I93-Y104 HydrophobicContact CG1-CD1 3.98Å; I93-Y104 HydrophobicContact CG1-CE1 3.8Å; I93-L105 HydrophobicContact CD1-CD1 3.78Å; I93-L105 HydrophobicContact CG2-CD1 4.45Å; I93-C108 HydrophobicContact CD1-CB 4.17Å; I93-V151 HydrophobicContact CD1-CG1 3.42Å; I93-V151 VanDerWaalsContact CD1-CG1 3.42Å; I93-I157 HydrophobicContact CB-CD1 4.09Å; I93-I157 HydrophobicContact CG2-CD1 3.74Å; I93-I157 HydrophobicContact CG2-CG1 4.09Å
94	V	94.3	Very high	93.1	Very high	44 Å²	44	65.8 Å²	65.8	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-40.5	176.1	172.9	0	0	0	0	111.1	R90 D91 N96 L97 Y154 I157	R90-V94 WeakPolarHBondContact O-CG2 3.36Å; R90-V94 PolarHBondContact O-N 3.36Å; D91-V94 WeakPolarHBondContact O-CB 3.22Å; D91-V94 PolarHBondContact O-N 2.93Å; V94-N96 PolarHBondContact O-N 3.34Å; V94-L97 HydrophobicContact CG1-CD1 4.21Å; V94-L97 WeakPolarHBondContact O-CD1 3.29Å; V94-L97 VanDerWaalsContact O-CG 3.28Å; V94-L97 WeakPolarHBondContact O-CG 3.48Å; V94-L97 PolarHBondContact O-N 3.25Å; V94-Y154 HydrophobicContact CG2-CD1 4.14Å; V94-Y154 HydrophobicContact CG2-CE1 3.93Å; V94-I157 HydrophobicContact CG2-CD1 4Å; V94-I157 HydrophobicContact CG2-CG1 4.01Å
95	E	92	Very high	93	Very high	159 Å²	159	61.2 Å²	61.2	74%	0.743	31%	0.305	S	S	*	.	H	α-helix	trans	-64.2	-24.6	175.7	-70.1	175.8	-177.2	0	0	113.3	D91 S92 I93	D91-E95 WeakPolarHBondContact O-CG 3.5Å; D91-E95 PolarHBondContact O-N 3.09Å; S92-E95 PolarHBondContact O-N 3.33Å; I93-E95 VanDerWaalsContact C-N 3.29Å; I93-E95 PolarHBondContact O-N 3.06Å
96	N	90.7	Very high	92.9	Very high	51 Å²	51	60.6 Å²	60.6	27%	0.273	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	15.3	-176	-72.4	-80	0	0	0	114.4	S92 I93 V94 N98 N99 Y104	S92-N96 PolarHBondContact O-N 3.47Å; S92-N96 PolarHBondContact O-ND2 3.02Å; I93-N96 CarbonylContact O-C 3.58Å; I93-N96 PolarHBondContact O-N 3.25Å; V94-N96 PolarHBondContact O-N 3.34Å; N96-N98 VanDerWaalsContact C-N 3.26Å; N96-N98 PolarHBondContact O-N 3.12Å; N96-N99 PolarHBondContact O-N 2.82Å; N96-Y104 HydrophobicContact CB-CD1 3.94Å; N96-Y104 HydrophobicContact CB-CE1 4.29Å; N96-Y104 HydrophobicContact CB-CG 4.42Å
97	L	89.6	Confident	92.8	Very high	22 Å²	22	63.1 Å²	63.1	12%	0.115	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36	-177.9	-72.8	167.6	0	0	0	113.7	I93 V94 F101 I156 H160	I93-L97 PolarHBondContact O-N 3.49Å; V94-L97 HydrophobicContact CG1-CD1 4.21Å; V94-L97 WeakPolarHBondContact O-CD1 3.29Å; V94-L97 VanDerWaalsContact O-CG 3.28Å; V94-L97 WeakPolarHBondContact O-CG 3.48Å; V94-L97 PolarHBondContact O-N 3.25Å; L97-F101 HydrophobicContact CD2-CD2 3.74Å; L97-F101 HydrophobicContact CD2-CE2 3.6Å; L97-F101 HydrophobicContact CD2-CZ 4.28Å; L97-F101 VanDerWaalsContact O-CB 3.3Å; L97-F101 WeakPolarHBondContact O-CB 3.4Å; L97-I156 HydrophobicContact CD1-CG2 3.59Å; L97-H160 HydrophobicContact CD2-CB 4.03Å; L97-H160 PolarHBondContact O-NE2 3.27Å
98	N	85	Confident	92.7	Very high	160 Å²	160	60.3 Å²	60.3	86%	0.856	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.7	-174.9	-64.8	-36.9	0	0	0	114.2	N96	N96-N98 VanDerWaalsContact C-N 3.26Å; N96-N98 PolarHBondContact O-N 3.12Å
99	N	82.2	Confident	92.7	Very high	104 Å²	104	54.9 Å²	54.9	56%	0.556	28%	0.283	S	S	*	.	S	Bend	trans	-137.6	105.7	-174.4	-169.5	4.4	0	0	0	111.8	N96 F101	N96-N99 PolarHBondContact O-N 2.82Å; N99-F101 PolarHBondContact O-N 3.01Å; N99-F101 VanDerWaalsContact O-N 3.14Å
100	K	84.6	Confident	92.7	Very high	160 Å²	160	58.2 Å²	58.2	70%	0.696	30%	0.296	S	S	*	.	S	Bend	trans	52.4	33.7	179.3	-61.3	177.9	-178.8	178.1	0	113.4	L102 T103 Y104	K100-L102 PolarHBondContact O-N 2.76Å; K100-T103 WeakPolarHBondContact O-CB 3.49Å; K100-T103 PolarHBondContact O-N 3.16Å; K100-Y104 PolarHBondContact O-N 3.03Å
101	F	93.7	Very high	92.7	Very high	10 Å²	10	58.6 Å²	58.6	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-46.4	-53.1	-174.9	165.8	-109.4	0	0	0	114.1	I93 L97 N99 T103 Y104 L105 I157 H160 L161	I93-F101 HydrophobicContact CG2-CD2 4.17Å; I93-F101 HydrophobicContact CG2-CE2 3.68Å; L97-F101 HydrophobicContact CD2-CD2 3.74Å; L97-F101 HydrophobicContact CD2-CE2 3.6Å; L97-F101 HydrophobicContact CD2-CZ 4.28Å; L97-F101 VanDerWaalsContact O-CB 3.3Å; L97-F101 WeakPolarHBondContact O-CB 3.4Å; N99-F101 PolarHBondContact O-N 3.01Å; N99-F101 VanDerWaalsContact O-N 3.14Å; F101-T103 VanDerWaalsContact C-N 3.32Å; F101-T103 PolarHBondContact O-N 3.35Å; F101-Y104 PolarHBondContact O-N 3.47Å; F101-L105 HydrophobicContact CE1-CD2 4.33Å; F101-L105 HydrophobicContact CE2-CB 4.45Å; F101-L105 HydrophobicContact CE2-CD2 4.29Å; F101-L105 HydrophobicContact CZ-CD2 3.82Å; F101-L105 VanDerWaalsContact O-CB 3.32Å; F101-L105 WeakPolarHBondContact O-CB 3.32Å; F101-L105 PolarHBondContact O-N 2.82Å; F101-I157 HydrophobicContact CE2-CG2 4.35Å; F101-I157 HydrophobicContact CZ-CG2 4.16Å; F101-H160 AromaticContact CD1-CD2 3.61Å; F101-H160 AromaticContact CE1-CD2 3.77Å; F101-H160 AromaticContact CG-CD2 3.95Å; F101-L161 HydrophobicContact CE1-CB 4.02Å; F101-L161 HydrophobicContact CE1-CD1 3.88Å; F101-L161 HydrophobicContact CZ-CB 4.06Å; F101-L161 HydrophobicContact CZ-CD1 4.35Å
102	L	93.4	Very high	92.7	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-39.3	-179.3	-66.4	-178.2	0	0	0	112.7	K100 N106 L161 T164 L165 M168 Q182	K100-L102 PolarHBondContact O-N 2.76Å; L102-N106 WeakPolarHBondContact O-CB 3.17Å; L102-N106 PolarHBondContact O-N 3.27Å; L102-L161 HydrophobicContact CD2-CD1 3.46Å; L102-L161 VanDerWaalsContact CD2-CD1 3.46Å; L102-T164 HydrophobicContact CD1-CG2 3.89Å; L102-T164 HydrophobicContact CD2-CG2 4.4Å; L102-T164 HydrophobicContact CG-CG2 4.08Å; L102-L165 HydrophobicContact CD1-CD2 4.11Å; L102-L165 HydrophobicContact CD2-CD2 4.19Å; L102-M168 HydrophobicContact CD1-SD 3.55Å; L102-M168 VanDerWaalsContact CD1-SD 3.55Å; L102-Q182 HydrophobicContact CD1-CB 3.95Å
103	T	92.9	Very high	92.8	Very high	78 Å²	78	56 Å²	56	48%	0.479	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-42.4	178	-58.4	0	0	0	0	110.8	K100 F101 S107 Q182	K100-T103 WeakPolarHBondContact O-CB 3.49Å; K100-T103 PolarHBondContact O-N 3.16Å; F101-T103 VanDerWaalsContact C-N 3.32Å; F101-T103 PolarHBondContact O-N 3.35Å; T103-S107 PolarHBondContact O-N 3.23Å; T103-Q182 PolarHBondContact OG1-NE2 3.37Å
104	Y	94.3	Very high	92.8	Very high	73 Å²	73	60 Å²	60	29%	0.286	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-47.9	178.4	-172.1	-109.5	0	0	0	111.7	S92 I93 N96 K100 F101 N106 S107 C108	S92-Y104 PolarHBondContact OG-OH 2.91Å; I93-Y104 HydrophobicContact CG1-CD1 3.98Å; I93-Y104 HydrophobicContact CG1-CE1 3.8Å; N96-Y104 HydrophobicContact CB-CD1 3.94Å; N96-Y104 HydrophobicContact CB-CE1 4.29Å; N96-Y104 HydrophobicContact CB-CG 4.42Å; K100-Y104 PolarHBondContact O-N 3.03Å; F101-Y104 PolarHBondContact O-N 3.47Å; Y104-N106 VanDerWaalsContact C-N 3.33Å; Y104-N106 PolarHBondContact O-N 3.24Å; Y104-S107 WeakPolarHBondContact O-CB 3.37Å; Y104-S107 PolarHBondContact O-N 3.37Å; Y104-C108 PolarHBondContact O-N 3.09Å; Y104-C108 PolarHBondContact O-SG 3.47Å
105	L	96	Very high	92.9	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-45.8	175.7	178.6	62.7	0	0	0	111.7	I93 F101 S107 C108 W109 F147 V151 L161 M189	I93-L105 HydrophobicContact CD1-CD1 3.78Å; I93-L105 HydrophobicContact CG2-CD1 4.45Å; F101-L105 HydrophobicContact CE1-CD2 4.33Å; F101-L105 HydrophobicContact CE2-CB 4.45Å; F101-L105 HydrophobicContact CE2-CD2 4.29Å; F101-L105 HydrophobicContact CZ-CD2 3.82Å; F101-L105 VanDerWaalsContact O-CB 3.32Å; F101-L105 WeakPolarHBondContact O-CB 3.32Å; F101-L105 PolarHBondContact O-N 2.82Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3Å; L105-C108 PolarHBondContact O-N 2.94Å; L105-W109 WeakPolarHBondContact O-CB 3.44Å; L105-W109 PolarHBondContact O-N 2.97Å; L105-F147 HydrophobicContact CD1-CZ 4.41Å; L105-V151 HydrophobicContact CD1-CG1 4.35Å; L105-L161 HydrophobicContact CD2-CD1 3.93Å; L105-L161 HydrophobicContact CD2-CD2 3.96Å; L105-M189 HydrophobicContact CD2-CE 4.06Å; L105-M189 HydrophobicContact CG-CE 4.48Å; L105-M189 HydrophobicContact CG-SD 4.4Å
106	N	94.3	Very high	93.2	Very high	27 Å²	27	50.7 Å²	50.7	14%	0.144	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-33.6	177.4	-170.2	30.4	0	0	0	112.1	L102 Y104 K110 D185	L102-N106 WeakPolarHBondContact O-CB 3.17Å; L102-N106 PolarHBondContact O-N 3.27Å; Y104-N106 VanDerWaalsContact C-N 3.33Å; Y104-N106 PolarHBondContact O-N 3.24Å; N106-K110 PolarHBondContact ND2-NZ 3.43Å; N106-K110 WeakPolarHBondContact O-CG 3.28Å; N106-K110 PolarHBondContact O-N 3.05Å; N106-D185 PolarHBondContact ND2-OD2 2.74Å
107	S	94.8	Very high	93.4	Very high	54 Å²	54	49 Å²	49	38%	0.378	26%	0.257	S	S	.	.	H	α-helix	trans	-64.5	-51.3	172.6	-170	0	0	0	0	110.9	T103 Y104 L105 W109 K110 D111	T103-S107 PolarHBondContact O-N 3.23Å; Y104-S107 WeakPolarHBondContact O-CB 3.37Å; Y104-S107 PolarHBondContact O-N 3.37Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3Å; S107-W109 PolarHBondContact O-N 3.48Å; S107-K110 PolarHBondContact O-N 3.44Å; S107-D111 WeakPolarHBondContact O-CB 3.45Å; S107-D111 PolarHBondContact O-N 2.81Å; S107-D111 VanDerWaalsContact O-OD2 3.13Å
108	C	95.5	Very high	93.7	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-38.5	177.5	-65.5	0	0	0	0	111.8	I89 I93 Y104 L105 H112	I89-C108 HydrophobicContact CG2-CB 3.97Å; I93-C108 HydrophobicContact CD1-CB 4.17Å; Y104-C108 PolarHBondContact O-N 3.09Å; Y104-C108 PolarHBondContact O-SG 3.47Å; L105-C108 PolarHBondContact O-N 2.94Å; C108-H112 WeakPolarHBondContact O-CB 3.21Å; C108-H112 PolarHBondContact O-N 2.78Å
109	W	96.1	Very high	94.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-51.3	175	171.8	-121.5	0	0	0	112.5	L105 S107 D111 H112 Q113 M144 F147 M189 Q192 L193	L105-W109 WeakPolarHBondContact O-CB 3.44Å; L105-W109 PolarHBondContact O-N 2.97Å; S107-W109 PolarHBondContact O-N 3.48Å; W109-D111 VanDerWaalsContact C-N 3.27Å; W109-D111 PolarHBondContact O-N 3.03Å; W109-H112 WeakPolarHBondContact O-CB 3.31Å; W109-H112 PolarHBondContact O-N 3.47Å; W109-H112 VanDerWaalsContact O-N 3.15Å; W109-Q113 HydrophobicContact CD2-CG 3.93Å; W109-Q113 HydrophobicContact CE3-CG 4.16Å; W109-Q113 HydrophobicContact CH2-CG 3.93Å; W109-Q113 HydrophobicContact CZ2-CG 3.61Å; W109-Q113 VanDerWaalsContact CZ2-NE2 3.29Å; W109-Q113 HydrophobicContact CZ3-CG 4.16Å; W109-Q113 VanDerWaalsContact NE1-OE1 3.1Å; W109-Q113 WeakPolarHBondContact O-CG 3.4Å; W109-Q113 PolarHBondContact O-N 3.49Å; W109-M144 HydrophobicContact CH2-CE 4.26Å; W109-M144 HydrophobicContact CH2-SD 3.28Å; W109-M144 WeakPolarHBondContact CH2-SD 3.42Å; W109-M144 HydrophobicContact CZ2-SD 4.2Å; W109-M144 HydrophobicContact CZ3-CE 4.26Å; W109-M144 HydrophobicContact CZ3-SD 3.84Å; W109-F147 HydrophobicContact CB-CE1 4.42Å; W109-F147 HydrophobicContact CB-CZ 4Å; W109-F147 HydrophobicContact CD2-CE1 4.47Å; W109-F147 AromaticContact CE3-CD1 3.69Å; W109-F147 HydrophobicContact CE3-CD1 3.69Å; W109-F147 HydrophobicContact CE3-CD2 4.14Å; W109-F147 AromaticContact CE3-CE1 3.7Å; W109-F147 HydrophobicContact CE3-CE1 3.7Å; W109-F147 HydrophobicContact CE3-CE2 4.18Å; W109-F147 AromaticContact CE3-CG 3.92Å; W109-F147 HydrophobicContact CE3-CG 3.92Å; W109-F147 AromaticContact CE3-CZ 3.97Å; W109-F147 HydrophobicContact CE3-CZ 3.97Å; W109-F147 HydrophobicContact CZ3-CB 4.28Å; W109-F147 AromaticContact CZ3-CD1 3.92Å; W109-F147 HydrophobicContact CZ3-CD1 3.92Å; W109-F147 HydrophobicContact CZ3-CE1 4.38Å; W109-F147 AromaticContact CZ3-CG 4Å; W109-F147 HydrophobicContact CZ3-CG 4Å; W109-M189 HydrophobicContact CB-CG 4.49Å; W109-M189 HydrophobicContact CB-SD 3.97Å; W109-M189 HydrophobicContact CD2-CG 3.75Å; W109-M189 HydrophobicContact CD2-SD 4.27Å; W109-M189 HydrophobicContact CE3-CG 4.4Å; W109-M189 HydrophobicContact CG-CB 4.35Å; W109-M189 HydrophobicContact CG-CG 3.76Å; W109-M189 HydrophobicContact CG-SD 3.88Å; W109-M189 HydrophobicContact CZ2-CG 4.33Å; W109-Q192 HydrophobicContact CH2-CB 4.46Å; W109-Q192 HydrophobicContact CZ2-CB 3.74Å; W109-L193 HydrophobicContact CE3-CD2 4.22Å; W109-L193 HydrophobicContact CH2-CD2 3.5Å; W109-L193 VanDerWaalsContact CH2-CD2 3.5Å; W109-L193 HydrophobicContact CH2-CG 3.86Å; W109-L193 HydrophobicContact CZ2-CD2 4.48Å; W109-L193 HydrophobicContact CZ2-CG 4.42Å; W109-L193 HydrophobicContact CZ3-CD2 3.37Å; W109-L193 HydrophobicContact CZ3-CG 4.11Å
110	K	96	Very high	94.8	Very high	104 Å²	104	42.4 Å²	42.4	45%	0.452	21%	0.214	S	C	.	.	H	α-helix	trans	-60.2	-39.6	178.4	-75.3	174.6	-179.4	173.3	0	112.3	N106 S107 Q113 T114 D185	N106-K110 PolarHBondContact ND2-NZ 3.43Å; N106-K110 WeakPolarHBondContact O-CG 3.28Å; N106-K110 PolarHBondContact O-N 3.05Å; S107-K110 PolarHBondContact O-N 3.44Å; K110-Q113 PolarHBondContact O-N 3.37Å; K110-T114 PolarHBondContact O-N 3.25Å; K110-T114 PolarHBondContact O-OG1 3.47Å; K110-D185 IonicContact NZ-OD2 2.88Å
111	D	95.9	Very high	95.3	Very high	54 Å²	54	38.4 Å²	38.4	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-46.4	176	-66.2	-33.2	0	0	0	110.9	K48 S107 W109 T114 A115	K48-D111 VanDerWaalsContact CE-OD1 3.22Å; K48-D111 WeakPolarHBondContact CE-OD1 3.31Å; K48-D111 VanDerWaalsContact CE-OD2 3.24Å; K48-D111 WeakPolarHBondContact CE-OD2 3.41Å; K48-D111 IonicContact NZ-OD1 3.76Å; K48-D111 PolarHBondContact NZ-OD1 3.2Å; K48-D111 IonicContact NZ-OD2 2.69Å; K48-D111 PolarHBondContact NZ-OD2 2.89Å; S107-D111 WeakPolarHBondContact O-CB 3.45Å; S107-D111 PolarHBondContact O-N 2.81Å; S107-D111 VanDerWaalsContact O-OD2 3.13Å; W109-D111 VanDerWaalsContact C-N 3.27Å; W109-D111 PolarHBondContact O-N 3.03Å; D111-T114 PolarHBondContact O-N 3.41Å; D111-A115 WeakPolarHBondContact O-CB 3.28Å; D111-A115 PolarHBondContact O-N 3.05Å
112	H	96.8	Very high	95.3	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-43.1	176.9	-176.6	65.3	0	0	0	112.6	M86 C108 W109 T114 A115 M116 G143 F147	M86-H112 VanDerWaalsContact CE-ND1 3.32Å; M86-H112 WeakPolarHBondContact CE-ND1 3.34Å; C108-H112 WeakPolarHBondContact O-CB 3.21Å; C108-H112 PolarHBondContact O-N 2.78Å; W109-H112 WeakPolarHBondContact O-CB 3.31Å; W109-H112 PolarHBondContact O-N 3.47Å; W109-H112 VanDerWaalsContact O-N 3.15Å; H112-T114 VanDerWaalsContact C-N 3.31Å; H112-T114 PolarHBondContact O-N 3.15Å; H112-A115 PolarHBondContact O-N 3.35Å; H112-M116 VanDerWaalsContact CE1-CG 3.43Å; H112-M116 WeakPolarHBondContact CE1-CG 3.33Å; H112-M116 WeakPolarHBondContact O-CB 3.27Å; H112-M116 WeakPolarHBondContact O-CG 3.42Å; H112-M116 PolarHBondContact O-N 3.2Å; H112-G143 PolarHBondContact NE2-O 2.86Å; H112-F147 HydrophobicContact CB-CD2 3.83Å; H112-F147 HydrophobicContact CB-CE2 3.98Å; H112-F147 AromaticContact CD2-CD2 3.48Å; H112-F147 VanDerWaalsContact CD2-CD2 3.48Å; H112-F147 WeakPolarHBondContact CD2-CD2 3.24Å; H112-F147 AromaticContact CD2-CG 3.85Å; H112-F147 AromaticContact CG-CD2 3.61Å
113	Q	95.7	Very high	95.5	Very high	37 Å²	37	37.3 Å²	37.3	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-43.7	175.8	-71.1	-173.9	-67.8	0	0	112.1	W109 K110 G117	W109-Q113 HydrophobicContact CD2-CG 3.93Å; W109-Q113 HydrophobicContact CE3-CG 4.16Å; W109-Q113 HydrophobicContact CH2-CG 3.93Å; W109-Q113 HydrophobicContact CZ2-CG 3.61Å; W109-Q113 VanDerWaalsContact CZ2-NE2 3.29Å; W109-Q113 HydrophobicContact CZ3-CG 4.16Å; W109-Q113 VanDerWaalsContact NE1-OE1 3.1Å; W109-Q113 WeakPolarHBondContact O-CG 3.4Å; W109-Q113 PolarHBondContact O-N 3.49Å; K110-Q113 PolarHBondContact O-N 3.37Å; Q113-G117 PolarHBondContact O-N 2.9Å
114	T	95.6	Very high	95.5	Very high	82 Å²	82	36.6 Å²	36.6	50%	0.503	19%	0.187	S	C	.	.	H	α-helix	trans	-64.5	-48.1	179.1	-56.3	0	0	0	0	110.6	K110 D111 H112 M116 G117 M118	K110-T114 PolarHBondContact O-N 3.25Å; K110-T114 PolarHBondContact O-OG1 3.47Å; D111-T114 PolarHBondContact O-N 3.41Å; H112-T114 VanDerWaalsContact C-N 3.31Å; H112-T114 PolarHBondContact O-N 3.15Å; T114-M116 PolarHBondContact O-N 3.42Å; T114-G117 PolarHBondContact O-N 2.89Å; T114-M118 HydrophobicContact CG2-CE 3.81Å; T114-M118 PolarHBondContact O-N 3.14Å
115	A	96.7	Very high	95.5	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-47	177.4	0	0	0	0	0	111.8	I45 D111 H112 G117 M118 I119	I45-A115 HydrophobicContact CG2-CB 3.91Å; D111-A115 WeakPolarHBondContact O-CB 3.28Å; D111-A115 PolarHBondContact O-N 3.05Å; H112-A115 PolarHBondContact O-N 3.35Å; A115-G117 VanDerWaalsContact C-N 3.31Å; A115-G117 PolarHBondContact O-N 2.83Å; A115-M118 WeakPolarHBondContact O-CB 3.4Å; A115-M118 PolarHBondContact O-N 2.79Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.48Å; A115-I119 PolarHBondContact O-N 3.13Å
116	M	96.6	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-30.7	179.3	-71.8	-53.5	-46.3	0	0	113.1	V82 H112 T114 I119 R120 V139 Y140 M142 M144	V82-M116 HydrophobicContact CG1-SD 4.15Å; V82-M116 HydrophobicContact CG2-SD 3.99Å; H112-M116 VanDerWaalsContact CE1-CG 3.43Å; H112-M116 WeakPolarHBondContact CE1-CG 3.33Å; H112-M116 WeakPolarHBondContact O-CB 3.27Å; H112-M116 WeakPolarHBondContact O-CG 3.42Å; H112-M116 PolarHBondContact O-N 3.2Å; T114-M116 PolarHBondContact O-N 3.42Å; M116-I119 HydrophobicContact CE-CB 4.43Å; M116-I119 HydrophobicContact CE-CG2 4.41Å; M116-I119 HydrophobicContact SD-CD1 3.85Å; M116-R120 VanDerWaalsContact O-CB 3.26Å; M116-R120 WeakPolarHBondContact O-CB 3.49Å; M116-R120 PolarHBondContact O-N 3.28Å; M116-V139 HydrophobicContact CE-CG1 3.72Å; M116-V139 WeakPolarHBondContact CE-O 3.45Å; M116-Y140 HydrophobicContact CB-CD2 3.98Å; M116-Y140 HydrophobicContact CB-CE2 4.17Å; M116-M142 HydrophobicContact CE-CE 4.16Å; M116-M144 HydrophobicContact CB-CE 4.1Å; M116-M144 HydrophobicContact CG-CE 4.08Å
117	G	95.3	Very high	95.4	Very high	15 Å²	15	35.9 Å²	35.9	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-48.4	170	0	0	0	0	0	111.7	Q113 T114 A115 R120 D121	Q113-G117 PolarHBondContact O-N 2.9Å; T114-G117 PolarHBondContact O-N 2.89Å; A115-G117 VanDerWaalsContact C-N 3.31Å; A115-G117 PolarHBondContact O-N 2.83Å; G117-R120 PolarHBondContact O-N 3.18Å; G117-D121 PolarHBondContact O-N 2.89Å; G117-D121 VanDerWaalsContact O-N 3.09Å
118	M	95.4	Very high	95.3	Very high	49 Å²	49	42 Å²	42	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-42.7	177.5	-65.5	173.4	-177.9	0	0	112.5	I45 N50 F55 T114 A115 D121 I122	I45-M118 HydrophobicContact CD1-CB 4.37Å; I45-M118 HydrophobicContact CG2-CB 4Å; I45-M118 HydrophobicContact CG2-SD 4.02Å; N50-M118 PolarHBondContact ND2-SD 2.85Å; F55-M118 HydrophobicContact CE1-CB 4.05Å; F55-M118 HydrophobicContact CE1-CG 4.4Å; F55-M118 HydrophobicContact CZ-CB 4.36Å; F55-M118 HydrophobicContact CZ-CG 4.42Å; T114-M118 HydrophobicContact CG2-CE 3.81Å; T114-M118 PolarHBondContact O-N 3.14Å; A115-M118 WeakPolarHBondContact O-CB 3.4Å; A115-M118 PolarHBondContact O-N 2.79Å; M118-D121 PolarHBondContact O-N 2.88Å; M118-I122 WeakPolarHBondContact O-CG1 3.37Å; M118-I122 PolarHBondContact O-N 3.42Å; M118-I122 VanDerWaalsContact O-N 3.07Å
119	I	96.2	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-42	178.6	-64.9	162.3	0	0	0	110.5	I42 I45 Q46 T78 A115 M116 D121 I122 L123 V139	I42-I119 HydrophobicContact CG1-CG1 4.35Å; I42-I119 HydrophobicContact CG1-CG2 4.35Å; I42-I119 HydrophobicContact CG2-CD1 3.87Å; I42-I119 HydrophobicContact CG2-CG1 4.35Å; I45-I119 HydrophobicContact CD1-CG1 4.41Å; I45-I119 HydrophobicContact CG2-CG1 4.21Å; Q46-I119 HydrophobicContact CG-CD1 4.48Å; T78-I119 HydrophobicContact CG2-CG2 4.15Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.48Å; A115-I119 PolarHBondContact O-N 3.13Å; M116-I119 HydrophobicContact CE-CB 4.43Å; M116-I119 HydrophobicContact CE-CG2 4.41Å; M116-I119 HydrophobicContact SD-CD1 3.85Å; I119-D121 VanDerWaalsContact C-N 3.3Å; I119-D121 PolarHBondContact O-N 3.06Å; I119-I122 PolarHBondContact O-N 2.92Å; I119-L123 HydrophobicContact CG2-CD1 3.8Å; I119-L123 HydrophobicContact CG2-CG 4.41Å; I119-L123 WeakPolarHBondContact O-CB 3.48Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.17Å; I119-V139 HydrophobicContact CG2-CG1 3.85Å
120	R	95.6	Very high	95	Very high	100 Å²	100	46.1 Å²	46.1	38%	0.377	22%	0.221	S	C	.	.	H	α-helix	trans	-58.4	-42.8	173.5	-179.6	-152.5	64.6	-165.1	-3.6	111.3	M116 G117 L123 M124 V139	M116-R120 VanDerWaalsContact O-CB 3.26Å; M116-R120 WeakPolarHBondContact O-CB 3.49Å; M116-R120 PolarHBondContact O-N 3.28Å; G117-R120 PolarHBondContact O-N 3.18Å; R120-L123 CarbonylContact O-C 3.57Å; R120-L123 PolarHBondContact O-N 2.91Å; R120-M124 WeakPolarHBondContact O-CA 3.47Å; R120-M124 PolarHBondContact O-N 3.29Å; R120-V139 HydrophobicContact CB-CG1 4.34Å
121	D	94.3	Very high	94.9	Very high	75 Å²	75	41.5 Å²	41.5	40%	0.401	20%	0.202	S	C	.	.	H	α-helix	trans	-66.5	-40	-178.3	-66.3	-13.4	0	0	0	111.9	G117 M118 I119 L123 M124	G117-D121 PolarHBondContact O-N 2.89Å; G117-D121 VanDerWaalsContact O-N 3.09Å; M118-D121 PolarHBondContact O-N 2.88Å; I119-D121 VanDerWaalsContact C-N 3.3Å; I119-D121 PolarHBondContact O-N 3.06Å; D121-L123 VanDerWaalsContact C-N 3.34Å; D121-M124 WeakPolarHBondContact O-CB 3.34Å; D121-M124 PolarHBondContact O-N 3.4Å
122	I	95	Very high	94.6	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-42.2	172.7	-68.4	165.5	0	0	0	111	I45 F55 L58 Y59 M118 I119 M124	I45-I122 HydrophobicContact CD1-CD1 3.37Å; F55-I122 HydrophobicContact CD1-CD1 3.9Å; F55-I122 HydrophobicContact CD1-CG1 3.55Å; F55-I122 HydrophobicContact CE1-CD1 3.84Å; F55-I122 HydrophobicContact CE1-CG1 3.93Å; F55-I122 HydrophobicContact CG-CG1 4.38Å; L58-I122 HydrophobicContact CB-CG1 4.43Å; L58-I122 HydrophobicContact CB-CG2 3.68Å; L58-I122 HydrophobicContact CD1-CD1 3.96Å; Y59-I122 WeakPolarHBondContact CD2-O 3.43Å; M118-I122 WeakPolarHBondContact O-CG1 3.37Å; M118-I122 PolarHBondContact O-N 3.42Å; M118-I122 VanDerWaalsContact O-N 3.07Å; I119-I122 PolarHBondContact O-N 2.92Å; I122-M124 VanDerWaalsContact C-N 3.33Å; I122-M124 PolarHBondContact O-N 2.9Å
123	L	95.9	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	16.9	-175.3	-59.1	-179.5	0	0	0	113.5	I38 A62 L74 T78 I119 R120 D121 Y125 M126 D127 V139	I38-L123 HydrophobicContact CG2-CD2 4.25Å; A62-L123 HydrophobicContact CB-CD2 3.79Å; L74-L123 HydrophobicContact CD1-CD2 4.15Å; L74-L123 HydrophobicContact CD2-CD2 4.17Å; L74-L123 HydrophobicContact CG-CD2 4.34Å; T78-L123 HydrophobicContact CG2-CD1 3.58Å; I119-L123 HydrophobicContact CG2-CD1 3.8Å; I119-L123 HydrophobicContact CG2-CG 4.41Å; I119-L123 WeakPolarHBondContact O-CB 3.48Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.17Å; R120-L123 CarbonylContact O-C 3.57Å; R120-L123 PolarHBondContact O-N 2.91Å; D121-L123 VanDerWaalsContact C-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.41Å; L123-Y125 VanDerWaalsContact O-N 3.09Å; L123-M126 HydrophobicContact CB-CE 4.17Å; L123-M126 HydrophobicContact CD1-CE 3.89Å; L123-M126 WeakPolarHBondContact O-CB 3.45Å; L123-M126 PolarHBondContact O-N 3.36Å; L123-D127 PolarHBondContact O-N 3.17Å; L123-V139 HydrophobicContact CB-CG2 4.1Å; L123-V139 HydrophobicContact CD1-CG1 4.33Å; L123-V139 HydrophobicContact CD1-CG2 4.17Å
124	M	94	Very high	94.2	Very high	62 Å²	62	49 Å²	49	31%	0.305	26%	0.259	S	S	.	.	H	α-helix	trans	-56.4	-34	-172.9	176.1	179.9	57.3	0	0	113	Y59 R120 D121 I122 D127 R128	Y59-M124 HydrophobicContact CD2-CE 4.47Å; Y59-M124 HydrophobicContact CE2-CB 4.18Å; Y59-M124 HydrophobicContact CE2-CE 3.74Å; R120-M124 WeakPolarHBondContact O-CA 3.47Å; R120-M124 PolarHBondContact O-N 3.29Å; D121-M124 WeakPolarHBondContact O-CB 3.34Å; D121-M124 PolarHBondContact O-N 3.4Å; I122-M124 VanDerWaalsContact C-N 3.33Å; I122-M124 PolarHBondContact O-N 2.9Å; M124-D127 PolarHBondContact O-N 2.76Å; M124-R128 WeakPolarHBondContact O-CG 3.41Å; M124-R128 PolarHBondContact O-N 3.2Å; M124-R128 VanDerWaalsContact O-N 3.17Å; M124-R128 PolarHBondContact SD-NH2 3.33Å; M124-R128 VanDerWaalsContact SD-NH2 3.42Å
125	Y	94.3	Very high	94	Very high	51 Å²	51	52.6 Å²	52.6	20%	0.2	27%	0.274	C	S	.	.	H	α-helix	trans	-69.1	-37.7	177.3	-169.3	-103.7	0	0	0	112.5	Y63 I66 L123 R128 V129	Y63-Y125 AromaticContact CD2-CD1 3.66Å; Y63-Y125 HydrophobicContact CD2-CD1 3.66Å; Y63-Y125 AromaticContact CD2-CD2 3.73Å; Y63-Y125 HydrophobicContact CD2-CD2 3.73Å; Y63-Y125 AromaticContact CD2-CE1 3.62Å; Y63-Y125 HydrophobicContact CD2-CE1 3.62Å; Y63-Y125 AromaticContact CD2-CE2 3.7Å; Y63-Y125 HydrophobicContact CD2-CE2 3.7Å; Y63-Y125 AromaticContact CD2-CG 3.71Å; Y63-Y125 HydrophobicContact CD2-CG 3.71Å; Y63-Y125 AromaticContact CD2-CZ 3.64Å; Y63-Y125 HydrophobicContact CE2-CD1 4.35Å; Y63-Y125 HydrophobicContact CE2-CD2 4.11Å; Y63-Y125 AromaticContact CE2-CE1 3.86Å; Y63-Y125 HydrophobicContact CE2-CE1 3.86Å; Y63-Y125 AromaticContact CE2-CE2 3.6Å; Y63-Y125 HydrophobicContact CE2-CE2 3.6Å; Y63-Y125 HydrophobicContact CE2-CG 4.46Å; Y63-Y125 AromaticContact CE2-CZ 3.46Å; Y63-Y125 VanDerWaalsContact CE2-CZ 3.46Å; Y63-Y125 HydrophobicContact CG-CD1 4.39Å; Y63-Y125 HydrophobicContact CG-CE1 4.49Å; I66-Y125 HydrophobicContact CB-CD1 3.85Å; I66-Y125 HydrophobicContact CB-CE1 3.96Å; I66-Y125 HydrophobicContact CG1-CD1 4.28Å; I66-Y125 HydrophobicContact CG2-CD1 3.79Å; I66-Y125 HydrophobicContact CG2-CE1 3.59Å; L123-Y125 PolarHBondContact O-N 3.41Å; L123-Y125 VanDerWaalsContact O-N 3.09Å; Y125-R128 PolarHBondContact O-N 2.99Å; Y125-V129 HydrophobicContact CD1-CG2 4.42Å; Y125-V129 HydrophobicContact CD2-CG2 4.02Å; Y125-V129 HydrophobicContact CE1-CB 4.25Å; Y125-V129 HydrophobicContact CE1-CG1 4.46Å; Y125-V129 HydrophobicContact CE1-CG2 4.07Å; Y125-V129 HydrophobicContact CE2-CG2 3.62Å; Y125-V129 HydrophobicContact CG-CG2 4.4Å; Y125-V129 WeakPolarHBondContact O-CB 3.3Å; Y125-V129 PolarHBondContact O-N 3.28Å
126	M	94.7	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-44.4	174.8	-179.4	177.6	75.3	0	0	110.8	I66 L74 Y75 L123 R128 V129 Y130 V131 V139	I66-M126 HydrophobicContact CD1-CB 3.74Å; I66-M126 HydrophobicContact CD1-CG 3.61Å; I66-M126 HydrophobicContact CD1-SD 4.32Å; I66-M126 HydrophobicContact CG1-CB 4.05Å; I66-M126 HydrophobicContact CG1-CG 4.45Å; L74-M126 HydrophobicContact CB-SD 3.98Å; L74-M126 HydrophobicContact CD2-CB 4.35Å; L74-M126 HydrophobicContact CD2-SD 3.82Å; L74-M126 HydrophobicContact CG-SD 3.63Å; Y75-M126 HydrophobicContact CD2-CE 3.82Å; Y75-M126 HydrophobicContact CD2-SD 4.2Å; L123-M126 HydrophobicContact CB-CE 4.17Å; L123-M126 HydrophobicContact CD1-CE 3.89Å; L123-M126 WeakPolarHBondContact O-CB 3.45Å; L123-M126 PolarHBondContact O-N 3.36Å; M126-R128 VanDerWaalsContact C-N 3.3Å; M126-R128 PolarHBondContact O-N 3.27Å; M126-V129 PolarHBondContact O-N 3.33Å; M126-Y130 HydrophobicContact CG-CD1 4.2Å; M126-Y130 HydrophobicContact CG-CG 4.48Å; M126-Y130 WeakPolarHBondContact O-CA 3.37Å; M126-Y130 WeakPolarHBondContact O-CB 3.39Å; M126-Y130 PolarHBondContact O-N 3.46Å; M126-V131 HydrophobicContact CG-CG2 4.45Å; M126-V131 PolarHBondContact O-N 2.93Å; M126-V131 VanDerWaalsContact O-N 3.1Å; M126-V139 HydrophobicContact CE-CG2 3.31Å
127	D	92.9	Very high	93.7	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.203	30%	0.301	C	S	.	.	I	π-helix	trans	-58	-41.8	176.2	-97.2	-3.5	0	0	0	112.2	L123 M124 G138 V139	L123-D127 PolarHBondContact O-N 3.17Å; M124-D127 PolarHBondContact O-N 2.76Å; D127-G138 VanDerWaalsContact OD1-CA 3.24Å; D127-G138 WeakPolarHBondContact OD1-CA 3.16Å; D127-V139 WeakPolarHBondContact OD1-CG2 3.48Å; D127-V139 PolarHBondContact OD1-N 2.96Å; D127-V139 PolarHBondContact OD2-N 3.35Å
128	R	92.3	Very high	93.6	Very high	182 Å²	182	58.2 Å²	58.2	69%	0.687	31%	0.305	S	S	*	.	I	π-helix	trans	-76.3	-37.3	-177.2	-72	179.3	-179.8	178.5	2.1	114	M124 Y125 M126	M124-R128 WeakPolarHBondContact O-CG 3.41Å; M124-R128 PolarHBondContact O-N 3.2Å; M124-R128 VanDerWaalsContact O-N 3.17Å; M124-R128 PolarHBondContact SD-NH2 3.33Å; M124-R128 VanDerWaalsContact SD-NH2 3.42Å; Y125-R128 PolarHBondContact O-N 2.99Å; M126-R128 VanDerWaalsContact C-N 3.3Å; M126-R128 PolarHBondContact O-N 3.27Å
129	V	93.4	Very high	93.6	Very high	67 Å²	67	55.9 Å²	55.9	41%	0.406	29%	0.294	S	S	.	.	I	π-helix	trans	-109.5	-31.8	-166.1	-178	0	0	0	0	112.9	I66 Y125 M126	I66-V129 HydrophobicContact CG2-CG1 4.4Å; Y125-V129 HydrophobicContact CD1-CG2 4.42Å; Y125-V129 HydrophobicContact CD2-CG2 4.02Å; Y125-V129 HydrophobicContact CE1-CB 4.25Å; Y125-V129 HydrophobicContact CE1-CG1 4.46Å; Y125-V129 HydrophobicContact CE1-CG2 4.07Å; Y125-V129 HydrophobicContact CE2-CG2 3.62Å; Y125-V129 HydrophobicContact CG-CG2 4.4Å; Y125-V129 WeakPolarHBondContact O-CB 3.3Å; Y125-V129 PolarHBondContact O-N 3.28Å; M126-V129 PolarHBondContact O-N 3.33Å
130	Y	93.2	Very high	93.5	Very high	33 Å²	33	59.4 Å²	59.4	13%	0.129	31%	0.307	C	S	.	.	I	π-helix	trans	-102.7	-46.7	-174	-177.3	-99	0	0	0	112.9	I66 G71 E72 M126 G132 P133 H134 L136	I66-Y130 HydrophobicContact CD1-CG 4.18Å; G71-Y130 WeakPolarHBondContact O-CE1 3.42Å; E72-Y130 WeakPolarHBondContact CA-OH 3.43Å; E72-Y130 VanDerWaalsContact CB-OH 3.31Å; E72-Y130 WeakPolarHBondContact CB-OH 3.34Å; E72-Y130 PolarHBondContact N-OH 3.1Å; M126-Y130 HydrophobicContact CG-CD1 4.2Å; M126-Y130 HydrophobicContact CG-CG 4.48Å; M126-Y130 WeakPolarHBondContact O-CA 3.37Å; M126-Y130 WeakPolarHBondContact O-CB 3.39Å; M126-Y130 PolarHBondContact O-N 3.46Å; Y130-G132 PolarHBondContact O-N 3.12Å; Y130-P133 WeakPolarHBondContact O-CD 3.49Å; Y130-H134 AromaticContact CD2-CE1 3.54Å; Y130-H134 AromaticContact CD2-ND1 3.71Å; Y130-H134 AromaticContact CE2-CE1 3.22Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.37Å; Y130-H134 AromaticContact CE2-ND1 3.56Å; Y130-H134 AromaticContact CE2-NE2 3.54Å; Y130-H134 AromaticContact CZ-CD2 3.98Å; Y130-H134 AromaticContact CZ-CE1 3.86Å; Y130-H134 AromaticContact CZ-CG 3.93Å; Y130-H134 AromaticContact CZ-ND1 3.85Å; Y130-H134 AromaticContact CZ-NE2 3.93Å; Y130-H134 PolarHBondContact O-ND1 3.38Å; Y130-L136 HydrophobicContact CD1-CD1 4.38Å; Y130-L136 HydrophobicContact CE1-CD1 3.76Å
131	V	93.4	Very high	93.4	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.048	31%	0.307	C	S	.	.	I	π-helix	trans	-60.8	-50.4	-172.1	169.4	0	0	0	0	112.6	Y75 M126 H134 N135 L136	Y75-V131 HydrophobicContact CD2-CG2 4Å; Y75-V131 HydrophobicContact CE2-CG2 3.9Å; M126-V131 HydrophobicContact CG-CG2 4.45Å; M126-V131 PolarHBondContact O-N 2.93Å; M126-V131 VanDerWaalsContact O-N 3.1Å; V131-H134 PolarHBondContact O-N 3.4Å; V131-N135 PolarHBondContact O-N 3.37Å; V131-L136 HydrophobicContact CG1-CB 4.01Å; V131-L136 WeakPolarHBondContact CG1-O 3.26Å; V131-L136 PolarHBondContact O-N 3.43Å; V131-L136 VanDerWaalsContact O-N 3.15Å
132	G	88.3	Confident	93.5	Very high	55 Å²	55	55.3 Å²	55.3	57%	0.567	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-57.5	-55.6	-176.5	0	0	0	0	0	114	Y130 H134 N135	Y130-G132 PolarHBondContact O-N 3.12Å; G132-H134 PolarHBondContact O-N 2.94Å; G132-H134 VanDerWaalsContact O-N 3.13Å; G132-N135 PolarHBondContact O-N 3.44Å; G132-N135 VanDerWaalsContact O-N 3.07Å
133	P	91.3	Very high	93.5	Very high	102 Å²	102	55.1 Å²	55.1	66%	0.662	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-59.1	-23.2	178.2	-27.3	35.7	0	0	0	115.1	Y130	Y130-P133 WeakPolarHBondContact O-CD 3.49Å
134	H	93	Very high	93.5	Very high	99 Å²	99	55.2 Å²	55.2	46%	0.458	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-99.1	5.1	-179.7	-64.5	80.1	0	0	0	113.1	Y130 V131 G132 L136	Y130-H134 AromaticContact CD2-CE1 3.54Å; Y130-H134 AromaticContact CD2-ND1 3.71Å; Y130-H134 AromaticContact CE2-CE1 3.22Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.37Å; Y130-H134 AromaticContact CE2-ND1 3.56Å; Y130-H134 AromaticContact CE2-NE2 3.54Å; Y130-H134 AromaticContact CZ-CD2 3.98Å; Y130-H134 AromaticContact CZ-CE1 3.86Å; Y130-H134 AromaticContact CZ-CG 3.93Å; Y130-H134 AromaticContact CZ-ND1 3.85Å; Y130-H134 AromaticContact CZ-NE2 3.93Å; Y130-H134 PolarHBondContact O-ND1 3.38Å; V131-H134 PolarHBondContact O-N 3.4Å; G132-H134 PolarHBondContact O-N 2.94Å; G132-H134 VanDerWaalsContact O-N 3.13Å; H134-L136 HydrophobicContact CB-CD1 3.93Å; H134-L136 HydrophobicContact CB-CG 3.91Å; H134-L136 PolarHBondContact O-N 3.08Å
135	N	92	Very high	93.5	Very high	156 Å²	156	54.3 Å²	54.3	83%	0.834	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	35	-178.8	-159.3	43.9	0	0	0	113.1	V131 G132	V131-N135 PolarHBondContact O-N 3.37Å; G132-N135 PolarHBondContact O-N 3.44Å; G132-N135 VanDerWaalsContact O-N 3.07Å
136	L	93.8	Very high	93.6	Very high	64 Å²	64	52 Å²	52	34%	0.335	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-90	162.4	176.4	-64.1	173.6	0	0	0	110.2	Y75 Y130 V131 H134	Y75-L136 HydrophobicContact CD1-CD1 3.94Å; Y75-L136 HydrophobicContact CD2-CD1 4.12Å; Y75-L136 HydrophobicContact CE1-CB 4.46Å; Y75-L136 HydrophobicContact CE1-CD1 4.08Å; Y75-L136 HydrophobicContact CE1-CD2 4.31Å; Y75-L136 HydrophobicContact CE2-CB 4.13Å; Y75-L136 HydrophobicContact CE2-CD1 4.25Å; Y75-L136 HydrophobicContact CG-CD1 3.97Å; Y130-L136 HydrophobicContact CD1-CD1 4.38Å; Y130-L136 HydrophobicContact CE1-CD1 3.76Å; V131-L136 HydrophobicContact CG1-CB 4.01Å; V131-L136 WeakPolarHBondContact CG1-O 3.26Å; V131-L136 PolarHBondContact O-N 3.43Å; V131-L136 VanDerWaalsContact O-N 3.15Å; H134-L136 HydrophobicContact CB-CD1 3.93Å; H134-L136 HydrophobicContact CB-CG 3.91Å; H134-L136 PolarHBondContact O-N 3.08Å
137	D	92.4	Very high	93.7	Very high	55 Å²	55	52 Å²	52	29%	0.294	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-77.7	139.1	170.5	-80.2	-25.8	0	0	0	110.4	Y75 K141	Y75-D137 VanDerWaalsContact CE2-O 3.24Å; Y75-D137 WeakPolarHBondContact CE2-O 3.31Å; Y75-D137 PolarHBondContact OH-O 2.96Å; D137-K141 HydrophobicContact CB-CB 4.19Å; D137-K141 HydrophobicContact CB-CD 4.07Å; D137-K141 HydrophobicContact CB-CG 3.91Å; D137-K141 VanDerWaalsContact OD1-CD 3.29Å; D137-K141 WeakPolarHBondContact OD1-CD 3.4Å; D137-K141 WeakPolarHBondContact OD1-CE 3.48Å; D137-K141 IonicContact OD1-NZ 3.01Å; D137-K141 PolarHBondContact OD1-NZ 2.74Å; D137-K141 WeakPolarHBondContact OD2-CE 3.23Å; D137-K141 IonicContact OD2-NZ 3.44Å
138	G	94	Very high	93.9	Very high	23 Å²	23	50.4 Å²	50.4	24%	0.237	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-57.4	152	172.3	0	0	0	0	0	111.7	D127 Y140 K141 M142	D127-G138 VanDerWaalsContact OD1-CA 3.24Å; D127-G138 WeakPolarHBondContact OD1-CA 3.16Å; G138-Y140 PolarHBondContact O-N 3.45Å; G138-Y140 VanDerWaalsContact O-N 3.1Å; G138-K141 CarbonylContact O-C 3.53Å; G138-K141 WeakPolarHBondContact O-CA 3.2Å; G138-K141 WeakPolarHBondContact O-CB 3.28Å; G138-K141 PolarHBondContact O-N 3.28Å; G138-M142 PolarHBondContact O-N 2.83Å
139	V	94.9	Very high	94	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-50.9	-43.2	-171.3	169.6	0	0	0	0	112.3	M116 I119 R120 L123 M126 D127 G143	M116-V139 HydrophobicContact CE-CG1 3.72Å; M116-V139 WeakPolarHBondContact CE-O 3.45Å; I119-V139 HydrophobicContact CG2-CG1 3.85Å; R120-V139 HydrophobicContact CB-CG1 4.34Å; L123-V139 HydrophobicContact CB-CG2 4.1Å; L123-V139 HydrophobicContact CD1-CG1 4.33Å; L123-V139 HydrophobicContact CD1-CG2 4.17Å; M126-V139 HydrophobicContact CE-CG2 3.31Å; D127-V139 WeakPolarHBondContact OD1-CG2 3.48Å; D127-V139 PolarHBondContact OD1-N 2.96Å; D127-V139 PolarHBondContact OD2-N 3.35Å; V139-G143 PolarHBondContact O-N 2.85Å
140	Y	94.8	Very high	94.1	Very high	73 Å²	73	43.7 Å²	43.7	29%	0.286	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-47.3	177.3	-170	-93.5	0	0	0	111.9	M116 G138 G143 M144	M116-Y140 HydrophobicContact CB-CD2 3.98Å; M116-Y140 HydrophobicContact CB-CE2 4.17Å; G138-Y140 PolarHBondContact O-N 3.45Å; G138-Y140 VanDerWaalsContact O-N 3.1Å; Y140-G143 WeakPolarHBondContact O-CA 3.49Å; Y140-G143 PolarHBondContact O-N 2.93Å; Y140-G143 VanDerWaalsContact O-N 3.13Å; Y140-M144 HydrophobicContact CD1-CG 3.98Å; Y140-M144 HydrophobicContact CD1-SD 4.3Å; Y140-M144 HydrophobicContact CE1-CE 4.16Å; Y140-M144 HydrophobicContact CE1-CG 3.77Å; Y140-M144 HydrophobicContact CE1-SD 3.6Å; Y140-M144 HydrophobicContact CE2-CE 4.16Å; Y140-M144 WeakPolarHBondContact O-CG 3.3Å; Y140-M144 PolarHBondContact O-N 2.72Å
141	K	94.3	Very high	94.3	Very high	84 Å²	84	42.1 Å²	42.1	37%	0.365	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-44.3	178.3	177.1	169.5	179.7	-151.6	0	111.5	D137 G138 G143 M144 T145 A195	D137-K141 HydrophobicContact CB-CB 4.19Å; D137-K141 HydrophobicContact CB-CD 4.07Å; D137-K141 HydrophobicContact CB-CG 3.91Å; D137-K141 VanDerWaalsContact OD1-CD 3.29Å; D137-K141 WeakPolarHBondContact OD1-CD 3.4Å; D137-K141 WeakPolarHBondContact OD1-CE 3.48Å; D137-K141 IonicContact OD1-NZ 3.01Å; D137-K141 PolarHBondContact OD1-NZ 2.74Å; D137-K141 WeakPolarHBondContact OD2-CE 3.23Å; D137-K141 IonicContact OD2-NZ 3.44Å; G138-K141 CarbonylContact O-C 3.53Å; G138-K141 WeakPolarHBondContact O-CA 3.2Å; G138-K141 WeakPolarHBondContact O-CB 3.28Å; G138-K141 PolarHBondContact O-N 3.28Å; K141-G143 VanDerWaalsContact C-N 3.28Å; K141-G143 PolarHBondContact O-N 2.71Å; K141-M144 PolarHBondContact O-N 3.04Å; K141-M144 VanDerWaalsContact O-N 3.08Å; K141-T145 PolarHBondContact O-N 2.98Å; K141-T145 PolarHBondContact O-OG1 2.91Å; K141-T145 VanDerWaalsContact O-OG1 3.13Å; K141-A195 HydrophobicContact CB-CB 4.25Å; K141-A195 HydrophobicContact CD-CB 4.06Å; K141-A195 HydrophobicContact CG-CB 3.64Å
142	M	95.5	Very high	94.4	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-53.4	-46.8	171.3	177.2	-149.3	70.5	0	0	110.7	Y75 T78 E79 V82 M116 G138 M144 T145 V146	Y75-M142 HydrophobicContact CE1-SD 4.32Å; Y75-M142 HydrophobicContact CE2-SD 4.47Å; T78-M142 HydrophobicContact CG2-CE 4.19Å; E79-M142 HydrophobicContact CB-SD 3.6Å; E79-M142 HydrophobicContact CG-CG 4.07Å; E79-M142 HydrophobicContact CG-SD 3.8Å; V82-M142 HydrophobicContact CG2-CE 4.22Å; M116-M142 HydrophobicContact CE-CE 4.16Å; G138-M142 PolarHBondContact O-N 2.83Å; M142-M144 VanDerWaalsContact C-N 3.35Å; M142-M144 PolarHBondContact O-N 3.39Å; M142-T145 PolarHBondContact O-N 2.94Å; M142-V146 VanDerWaalsContact O-CG2 3.29Å; M142-V146 WeakPolarHBondContact O-CG2 3.41Å; M142-V146 PolarHBondContact O-N 2.98Å
143	G	95.8	Very high	94.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-40.9	175.5	0	0	0	0	0	113.8	H112 V139 Y140 K141 F147	H112-G143 PolarHBondContact NE2-O 2.86Å; V139-G143 PolarHBondContact O-N 2.85Å; Y140-G143 WeakPolarHBondContact O-CA 3.49Å; Y140-G143 PolarHBondContact O-N 2.93Å; Y140-G143 VanDerWaalsContact O-N 3.13Å; K141-G143 VanDerWaalsContact C-N 3.28Å; K141-G143 PolarHBondContact O-N 2.71Å; G143-F147 PolarHBondContact O-N 2.98Å; G143-F147 VanDerWaalsContact O-N 3.1Å
144	M	95.6	Very high	95	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-44	177	-56	-55.6	86.1	0	0	111.1	W109 M116 Y140 K141 M142 V146 F147 C148 L193 A195	W109-M144 HydrophobicContact CH2-CE 4.26Å; W109-M144 HydrophobicContact CH2-SD 3.28Å; W109-M144 WeakPolarHBondContact CH2-SD 3.42Å; W109-M144 HydrophobicContact CZ2-SD 4.2Å; W109-M144 HydrophobicContact CZ3-CE 4.26Å; W109-M144 HydrophobicContact CZ3-SD 3.84Å; M116-M144 HydrophobicContact CB-CE 4.1Å; M116-M144 HydrophobicContact CG-CE 4.08Å; Y140-M144 HydrophobicContact CD1-CG 3.98Å; Y140-M144 HydrophobicContact CD1-SD 4.3Å; Y140-M144 HydrophobicContact CE1-CE 4.16Å; Y140-M144 HydrophobicContact CE1-CG 3.77Å; Y140-M144 HydrophobicContact CE1-SD 3.6Å; Y140-M144 HydrophobicContact CE2-CE 4.16Å; Y140-M144 WeakPolarHBondContact O-CG 3.3Å; Y140-M144 PolarHBondContact O-N 2.72Å; K141-M144 PolarHBondContact O-N 3.04Å; K141-M144 VanDerWaalsContact O-N 3.08Å; M142-M144 VanDerWaalsContact C-N 3.35Å; M142-M144 PolarHBondContact O-N 3.39Å; M144-V146 PolarHBondContact O-N 3.31Å; M144-F147 PolarHBondContact O-N 2.88Å; M144-C148 WeakPolarHBondContact O-CB 3.48Å; M144-C148 PolarHBondContact O-N 2.76Å; M144-L193 WeakPolarHBondContact O-CD2 3.37Å; M144-A195 HydrophobicContact CB-CB 4.41Å
145	T	94.1	Very high	95.1	Very high	44 Å²	44	40.1 Å²	40.1	27%	0.27	21%	0.208	S	C	.	.	H	α-helix	trans	-59.5	-45.5	176.3	-57.6	0	0	0	0	111.2	K141 M142 F147 C148 D149	K141-T145 PolarHBondContact O-N 2.98Å; K141-T145 PolarHBondContact O-OG1 2.91Å; K141-T145 VanDerWaalsContact O-OG1 3.13Å; M142-T145 PolarHBondContact O-N 2.94Å; T145-F147 PolarHBondContact O-N 2.63Å; T145-C148 WeakPolarHBondContact O-CB 3.31Å; T145-C148 PolarHBondContact O-N 3.3Å; T145-D149 WeakPolarHBondContact CG2-OD2 3.48Å; T145-D149 WeakPolarHBondContact O-CB 3.48Å; T145-D149 PolarHBondContact O-N 2.91Å
146	V	95.9	Very high	95.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-41.5	179	177.5	0	0	0	0	111.7	E79 V82 R83 M86 M142 M144 L150	E79-V146 HydrophobicContact CG-CG2 4.41Å; V82-V146 HydrophobicContact CG1-CB 4.31Å; V82-V146 HydrophobicContact CG1-CG1 4.12Å; R83-V146 HydrophobicContact CB-CG1 4.34Å; R83-V146 HydrophobicContact CG-CG1 3.65Å; R83-V146 HydrophobicContact CG-CG2 4.01Å; M86-V146 HydrophobicContact CB-CG1 4.13Å; M86-V146 HydrophobicContact CG-CG1 3.85Å; M142-V146 VanDerWaalsContact O-CG2 3.29Å; M142-V146 WeakPolarHBondContact O-CG2 3.41Å; M142-V146 PolarHBondContact O-N 2.98Å; M144-V146 PolarHBondContact O-N 3.31Å; V146-L150 HydrophobicContact CG1-CD1 3.72Å; V146-L150 HydrophobicContact CG1-CG 4.24Å; V146-L150 VanDerWaalsContact O-CB 3.31Å; V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 PolarHBondContact O-N 3.24Å
147	F	97.1	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-42.5	174.6	-168.1	-80.3	0	0	0	111.3	M86 L105 W109 H112 G143 M144 T145 V151 V152 M189 L193	M86-F147 HydrophobicContact SD-CB 4.31Å; M86-F147 HydrophobicContact SD-CD2 3.47Å; M86-F147 WeakPolarHBondContact SD-CD2 3.39Å; M86-F147 HydrophobicContact SD-CE2 4.21Å; M86-F147 HydrophobicContact SD-CG 4.28Å; L105-F147 HydrophobicContact CD1-CZ 4.41Å; W109-F147 HydrophobicContact CB-CE1 4.42Å; W109-F147 HydrophobicContact CB-CZ 4Å; W109-F147 HydrophobicContact CD2-CE1 4.47Å; W109-F147 AromaticContact CE3-CD1 3.69Å; W109-F147 HydrophobicContact CE3-CD1 3.69Å; W109-F147 HydrophobicContact CE3-CD2 4.14Å; W109-F147 AromaticContact CE3-CE1 3.7Å; W109-F147 HydrophobicContact CE3-CE1 3.7Å; W109-F147 HydrophobicContact CE3-CE2 4.18Å; W109-F147 AromaticContact CE3-CG 3.92Å; W109-F147 HydrophobicContact CE3-CG 3.92Å; W109-F147 AromaticContact CE3-CZ 3.97Å; W109-F147 HydrophobicContact CE3-CZ 3.97Å; W109-F147 HydrophobicContact CZ3-CB 4.28Å; W109-F147 AromaticContact CZ3-CD1 3.92Å; W109-F147 HydrophobicContact CZ3-CD1 3.92Å; W109-F147 HydrophobicContact CZ3-CE1 4.38Å; W109-F147 AromaticContact CZ3-CG 4Å; W109-F147 HydrophobicContact CZ3-CG 4Å; H112-F147 HydrophobicContact CB-CD2 3.83Å; H112-F147 HydrophobicContact CB-CE2 3.98Å; H112-F147 AromaticContact CD2-CD2 3.48Å; H112-F147 VanDerWaalsContact CD2-CD2 3.48Å; H112-F147 WeakPolarHBondContact CD2-CD2 3.24Å; H112-F147 AromaticContact CD2-CG 3.85Å; H112-F147 AromaticContact CG-CD2 3.61Å; G143-F147 PolarHBondContact O-N 2.98Å; G143-F147 VanDerWaalsContact O-N 3.1Å; M144-F147 PolarHBondContact O-N 2.88Å; T145-F147 PolarHBondContact O-N 2.63Å; F147-V151 HydrophobicContact CD1-CB 4.26Å; F147-V151 HydrophobicContact CD2-CG2 4.24Å; F147-V151 HydrophobicContact CE1-CB 4.24Å; F147-V151 HydrophobicContact CE1-CG1 4.23Å; F147-V151 HydrophobicContact CE2-CG2 4.37Å; F147-V151 HydrophobicContact CG-CB 4.44Å; F147-V151 HydrophobicContact CG-CG2 4.39Å; F147-V151 HydrophobicContact CZ-CB 4.38Å; F147-V151 HydrophobicContact CZ-CG1 4.11Å; F147-V151 WeakPolarHBondContact O-CA 3.38Å; F147-V151 WeakPolarHBondContact O-CB 3.4Å; F147-V151 PolarHBondContact O-N 3.23Å; F147-V152 HydrophobicContact CD1-CG2 3.81Å; F147-V152 HydrophobicContact CE1-CG2 3.59Å; F147-V152 PolarHBondContact O-N 2.9Å; F147-M189 HydrophobicContact CE1-SD 4.28Å; F147-L193 HydrophobicContact CB-CD2 4.17Å; F147-L193 HydrophobicContact CD1-CD2 3.79Å; F147-L193 HydrophobicContact CG-CD2 4.38Å
148	C	95.8	Very high	95.5	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.027	18%	0.176	C	C	.	.	I	π-helix	trans	-58.3	-54.8	177.3	-168.3	0	0	0	0	111.1	M144 T145 V152 R153 L193	M144-C148 WeakPolarHBondContact O-CB 3.48Å; M144-C148 PolarHBondContact O-N 2.76Å; T145-C148 WeakPolarHBondContact O-CB 3.31Å; T145-C148 PolarHBondContact O-N 3.3Å; C148-V152 PolarHBondContact O-N 3.41Å; C148-R153 WeakPolarHBondContact O-CB 3.37Å; C148-R153 PolarHBondContact O-N 3.14Å; C148-L193 HydrophobicContact CB-CB 4.4Å; C148-L193 HydrophobicContact CB-CD2 4.03Å
149	D	94.8	Very high	95.5	Very high	74 Å²	74	41 Å²	41	40%	0.396	20%	0.195	S	C	.	.	I	π-helix	trans	-73.3	-39.1	-171.5	-68.4	-19.4	0	0	0	112.8	T145	T145-D149 WeakPolarHBondContact CG2-OD2 3.48Å; T145-D149 WeakPolarHBondContact O-CB 3.48Å; T145-D149 PolarHBondContact O-N 2.91Å
150	L	96.2	Very high	95.6	Very high	34 Å²	34	43.5 Å²	43.5	18%	0.178	21%	0.206	C	C	.	.	I	π-helix	trans	-91.9	-25.8	-174.8	-60.9	-173.6	0	0	0	114	R83 M86 I87 R90 V146	R83-L150 HydrophobicContact CB-CD1 4Å; R83-L150 HydrophobicContact CG-CD1 4Å; M86-L150 HydrophobicContact CB-CB 4.34Å; M86-L150 HydrophobicContact CB-CD1 4.18Å; I87-L150 HydrophobicContact CG1-CD1 4.3Å; R90-L150 WeakPolarHBondContact CD-O 3.24Å; R90-L150 WeakPolarHBondContact CG-O 3.28Å; V146-L150 HydrophobicContact CG1-CD1 3.72Å; V146-L150 HydrophobicContact CG1-CG 4.24Å; V146-L150 VanDerWaalsContact O-CB 3.31Å; V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 PolarHBondContact O-N 3.24Å
151	V	96.8	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-109.6	-65.2	-176.6	-172.9	0	0	0	0	110.7	M86 R90 I93 L105 F147 Y154 I157	M86-V151 HydrophobicContact CB-CG2 4.3Å; M86-V151 HydrophobicContact SD-CG2 4.14Å; R90-V151 HydrophobicContact CB-CG2 4.33Å; I93-V151 HydrophobicContact CD1-CG1 3.42Å; I93-V151 VanDerWaalsContact CD1-CG1 3.42Å; L105-V151 HydrophobicContact CD1-CG1 4.35Å; F147-V151 HydrophobicContact CD1-CB 4.26Å; F147-V151 HydrophobicContact CD2-CG2 4.24Å; F147-V151 HydrophobicContact CE1-CB 4.24Å; F147-V151 HydrophobicContact CE1-CG1 4.23Å; F147-V151 HydrophobicContact CE2-CG2 4.37Å; F147-V151 HydrophobicContact CG-CB 4.44Å; F147-V151 HydrophobicContact CG-CG2 4.39Å; F147-V151 HydrophobicContact CZ-CB 4.38Å; F147-V151 HydrophobicContact CZ-CG1 4.11Å; F147-V151 WeakPolarHBondContact O-CA 3.38Å; F147-V151 WeakPolarHBondContact O-CB 3.4Å; F147-V151 PolarHBondContact O-N 3.23Å; V151-Y154 VanDerWaalsContact O-CB 3.31Å; V151-Y154 WeakPolarHBondContact O-CB 3.33Å; V151-Y154 PolarHBondContact O-N 2.89Å; V151-I157 HydrophobicContact CG1-CD1 4.27Å; V151-I157 WeakPolarHBondContact O-CD1 3.47Å
152	V	95.5	Very high	95.6	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.185	C	C	.	.	I	π-helix	trans	-70.8	-39.5	-170.4	174.6	0	0	0	0	112.6	F147 C148 Y154 R158 L161 M189 F190 L193	F147-V152 HydrophobicContact CD1-CG2 3.81Å; F147-V152 HydrophobicContact CE1-CG2 3.59Å; F147-V152 PolarHBondContact O-N 2.9Å; C148-V152 PolarHBondContact O-N 3.41Å; V152-Y154 VanDerWaalsContact C-N 3.3Å; V152-R158 WeakPolarHBondContact O-CA 3.32Å; V152-R158 WeakPolarHBondContact O-CB 3.46Å; V152-R158 PolarHBondContact O-N 3.35Å; V152-L161 HydrophobicContact CG1-CD2 4.22Å; V152-M189 HydrophobicContact CG2-CE 4.13Å; V152-M189 HydrophobicContact CG2-SD 4.35Å; V152-F190 HydrophobicContact CG1-CD1 4.21Å; V152-F190 HydrophobicContact CG1-CE1 3.62Å; V152-L193 HydrophobicContact CB-CD1 4.23Å; V152-L193 HydrophobicContact CG1-CD1 4.3Å; V152-L193 HydrophobicContact CG2-CD1 3.74Å
153	R	95.4	Very high	95.6	Very high	61 Å²	61	44.8 Å²	44.8	23%	0.23	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	4.5	178.3	-69.2	-178.6	164.5	-165.2	-11.4	113.4	C148 E203 D204	C148-R153 WeakPolarHBondContact O-CB 3.37Å; C148-R153 PolarHBondContact O-N 3.14Å; R153-E203 IonicContact CZ-OE2 2.67Å; R153-E203 IonicContact NH2-OE2 3.81Å; R153-E203 PolarHBondContact NH2-OE2 2.88Å; R153-D204 IonicContact CZ-OD2 2.78Å; R153-D204 IonicContact NE-OD2 2.83Å; R153-D204 PolarHBondContact NE-OD2 2.92Å; R153-D204 IonicContact NH2-OD2 3.22Å; R153-D204 PolarHBondContact NH2-OD2 3.22Å
154	Y	96.7	Very high	95.6	Very high	71 Å²	71	46.4 Å²	46.4	28%	0.278	22%	0.224	S	C	.	.	S	Bend	trans	-62.2	128	169.5	-173.9	-110.8	0	0	0	109.3	R90 V94 V151 V152 I156 I157 R158	R90-Y154 HydrophobicContact CG-CD1 4.11Å; R90-Y154 HydrophobicContact CG-CD2 4.44Å; R90-Y154 HydrophobicContact CG-CG 4.02Å; V94-Y154 HydrophobicContact CG2-CD1 4.14Å; V94-Y154 HydrophobicContact CG2-CE1 3.93Å; V151-Y154 VanDerWaalsContact O-CB 3.31Å; V151-Y154 WeakPolarHBondContact O-CB 3.33Å; V151-Y154 PolarHBondContact O-N 2.89Å; V152-Y154 VanDerWaalsContact C-N 3.3Å; Y154-I156 VanDerWaalsContact C-N 3.33Å; Y154-I156 HydrophobicContact CD1-CB 4.27Å; Y154-I156 HydrophobicContact CE1-CB 4.11Å; Y154-I156 HydrophobicContact CE1-CD1 4.07Å; Y154-I156 HydrophobicContact CE1-CG1 4.11Å; Y154-I156 PolarHBondContact O-N 3.47Å; Y154-I156 VanDerWaalsContact O-N 3.11Å; Y154-I157 HydrophobicContact CD1-CD1 4.19Å; Y154-I157 HydrophobicContact CD1-CG1 4.14Å; Y154-I157 PolarHBondContact O-N 2.89Å; Y154-R158 WeakPolarHBondContact O-CB 3.23Å; Y154-R158 PolarHBondContact O-N 2.93Å
155	P	95.2	Very high	95.5	Very high	89 Å²	89	46.4 Å²	46.4	58%	0.578	22%	0.224	S	C	*	.	H	α-helix	trans	-50.4	-46.8	-164	-31.6	35.5	0	0	0	115	E159	P155-E159 WeakPolarHBondContact O-CB 3.28Å; P155-E159 PolarHBondContact O-N 2.84Å
156	I	95.7	Very high	95.6	Very high	82 Å²	82	45.4 Å²	45.4	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-66.8	-43.2	-178.2	-55.9	177.9	0	0	0	111.2	L97 Y154 H160	L97-I156 HydrophobicContact CD1-CG2 3.59Å; Y154-I156 VanDerWaalsContact C-N 3.33Å; Y154-I156 HydrophobicContact CD1-CB 4.27Å; Y154-I156 HydrophobicContact CE1-CB 4.11Å; Y154-I156 HydrophobicContact CE1-CD1 4.07Å; Y154-I156 HydrophobicContact CE1-CG1 4.11Å; Y154-I156 PolarHBondContact O-N 3.47Å; Y154-I156 VanDerWaalsContact O-N 3.11Å; I156-H160 VanDerWaalsContact O-CB 3.27Å; I156-H160 WeakPolarHBondContact O-CB 3.31Å; I156-H160 PolarHBondContact O-N 3.48Å; I156-H160 VanDerWaalsContact O-N 3.1Å
157	I	96	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-44.2	-179.9	-66.6	172.2	0	0	0	109.8	R90 I93 V94 F101 V151 Y154 H160 L161	R90-I157 HydrophobicContact CG-CD1 3.96Å; I93-I157 HydrophobicContact CB-CD1 4.09Å; I93-I157 HydrophobicContact CG2-CD1 3.74Å; I93-I157 HydrophobicContact CG2-CG1 4.09Å; V94-I157 HydrophobicContact CG2-CD1 4Å; V94-I157 HydrophobicContact CG2-CG1 4.01Å; F101-I157 HydrophobicContact CE2-CG2 4.35Å; F101-I157 HydrophobicContact CZ-CG2 4.16Å; V151-I157 HydrophobicContact CG1-CD1 4.27Å; V151-I157 WeakPolarHBondContact O-CD1 3.47Å; Y154-I157 HydrophobicContact CD1-CD1 4.19Å; Y154-I157 HydrophobicContact CD1-CG1 4.14Å; Y154-I157 PolarHBondContact O-N 2.89Å; I157-H160 PolarHBondContact O-N 3.12Å; I157-L161 WeakPolarHBondContact O-CB 3.42Å; I157-L161 PolarHBondContact O-N 3.08Å
158	R	95.3	Very high	95.5	Very high	99 Å²	99	48.9 Å²	48.9	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-58.2	-52	179.7	-171.7	-175.6	-175.6	-151.9	-1.5	111.3	V152 Y154 L161 Q162 D204	V152-R158 WeakPolarHBondContact O-CA 3.32Å; V152-R158 WeakPolarHBondContact O-CB 3.46Å; V152-R158 PolarHBondContact O-N 3.35Å; Y154-R158 WeakPolarHBondContact O-CB 3.23Å; Y154-R158 PolarHBondContact O-N 2.93Å; R158-L161 PolarHBondContact O-N 3.44Å; R158-Q162 WeakPolarHBondContact O-CB 3.29Å; R158-Q162 WeakPolarHBondContact O-CG 3.28Å; R158-Q162 PolarHBondContact O-N 3.32Å; R158-D204 IonicContact CZ-OD1 2.6Å; R158-D204 IonicContact NE-OD1 3.47Å; R158-D204 PolarHBondContact NE-OD1 2.88Å; R158-D204 IonicContact NH2-OD1 2.66Å; R158-D204 PolarHBondContact NH2-OD1 2.87Å
159	E	94.9	Very high	95.5	Very high	136 Å²	136	48.9 Å²	48.9	64%	0.636	24%	0.235	S	C	*	.	H	α-helix	trans	-61.7	-46.7	-180	-172.5	-173.8	166.6	0	0	111.1	P155 K163	P155-E159 WeakPolarHBondContact O-CB 3.28Å; P155-E159 PolarHBondContact O-N 2.84Å; E159-K163 VanDerWaalsContact O-CB 3.27Å; E159-K163 WeakPolarHBondContact O-CB 3.46Å; E159-K163 PolarHBondContact O-N 2.75Å
160	H	95.4	Very high	95.5	Very high	53 Å²	53	49.7 Å²	49.7	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-40.1	-179.4	-166	82.9	0	0	0	112.4	L97 F101 I156 I157 T164	L97-H160 HydrophobicContact CD2-CB 4.03Å; L97-H160 PolarHBondContact O-NE2 3.27Å; F101-H160 AromaticContact CD1-CD2 3.61Å; F101-H160 AromaticContact CE1-CD2 3.77Å; F101-H160 AromaticContact CG-CD2 3.95Å; I156-H160 VanDerWaalsContact O-CB 3.27Å; I156-H160 WeakPolarHBondContact O-CB 3.31Å; I156-H160 PolarHBondContact O-N 3.48Å; I156-H160 VanDerWaalsContact O-N 3.1Å; I157-H160 PolarHBondContact O-N 3.12Å; H160-T164 VanDerWaalsContact O-CB 3.27Å; H160-T164 WeakPolarHBondContact O-CB 3.2Å; H160-T164 PolarHBondContact O-N 2.87Å; H160-T164 PolarHBondContact O-OG1 3.45Å
161	L	95.4	Very high	95.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-50.2	176.6	180	58.8	0	0	0	111.4	F101 L102 L105 V152 I157 R158 T164 L165 M189 F190	F101-L161 HydrophobicContact CE1-CB 4.02Å; F101-L161 HydrophobicContact CE1-CD1 3.88Å; F101-L161 HydrophobicContact CZ-CB 4.06Å; F101-L161 HydrophobicContact CZ-CD1 4.35Å; L102-L161 HydrophobicContact CD2-CD1 3.46Å; L102-L161 VanDerWaalsContact CD2-CD1 3.46Å; L105-L161 HydrophobicContact CD2-CD1 3.93Å; L105-L161 HydrophobicContact CD2-CD2 3.96Å; V152-L161 HydrophobicContact CG1-CD2 4.22Å; I157-L161 WeakPolarHBondContact O-CB 3.42Å; I157-L161 PolarHBondContact O-N 3.08Å; R158-L161 PolarHBondContact O-N 3.44Å; L161-T164 PolarHBondContact O-N 3.01Å; L161-L165 HydrophobicContact CD1-CD1 3.86Å; L161-L165 HydrophobicContact CD1-CG 4.06Å; L161-L165 HydrophobicContact CG-CD1 4.09Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.45Å; L161-M189 HydrophobicContact CD2-CE 4.02Å; L161-F190 HydrophobicContact CD2-CE1 3.88Å; L161-F190 HydrophobicContact CD2-CE2 4.3Å; L161-F190 HydrophobicContact CD2-CZ 3.41Å; L161-F190 VanDerWaalsContact CD2-CZ 3.41Å; L161-F190 HydrophobicContact CG-CZ 3.95Å
162	Q	95.1	Very high	95.3	Very high	41 Å²	41	53.1 Å²	53.1	19%	0.192	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-52.7	175.6	-76.9	-178.4	-6.4	0	0	110.9	R158 T164 L165 L166 D204	R158-Q162 WeakPolarHBondContact O-CB 3.29Å; R158-Q162 WeakPolarHBondContact O-CG 3.28Å; R158-Q162 PolarHBondContact O-N 3.32Å; Q162-T164 VanDerWaalsContact C-N 3.3Å; Q162-T164 PolarHBondContact O-N 2.74Å; Q162-L165 PolarHBondContact O-N 3.34Å; Q162-L166 VanDerWaalsContact O-CB 3.28Å; Q162-L166 WeakPolarHBondContact O-CB 3.39Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 2.92Å; Q162-D204 WeakPolarHBondContact CG-O 3.48Å; Q162-D204 PolarHBondContact NE2-O 3.3Å
163	K	95	Very high	95.3	Very high	148 Å²	148	53.2 Å²	53.2	64%	0.643	24%	0.244	S	C	*	.	H	α-helix	trans	-57.5	-43.5	-179.7	-175.1	176	-179.2	176.4	0	112.2	E159 D167	E159-K163 VanDerWaalsContact O-CB 3.27Å; E159-K163 WeakPolarHBondContact O-CB 3.46Å; E159-K163 PolarHBondContact O-N 2.75Å; K163-D167 VanDerWaalsContact O-CB 3.25Å; K163-D167 WeakPolarHBondContact O-CB 3.42Å; K163-D167 PolarHBondContact O-N 3.01Å
164	T	94.8	Very high	95.2	Very high	35 Å²	35	58.2 Å²	58.2	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-49.7	-179.3	-58.1	0	0	0	0	111.3	L102 H160 L161 Q162 L166 D167 M168	L102-T164 HydrophobicContact CD1-CG2 3.89Å; L102-T164 HydrophobicContact CD2-CG2 4.4Å; L102-T164 HydrophobicContact CG-CG2 4.08Å; H160-T164 VanDerWaalsContact O-CB 3.27Å; H160-T164 WeakPolarHBondContact O-CB 3.2Å; H160-T164 PolarHBondContact O-N 2.87Å; H160-T164 PolarHBondContact O-OG1 3.45Å; L161-T164 PolarHBondContact O-N 3.01Å; Q162-T164 VanDerWaalsContact C-N 3.3Å; Q162-T164 PolarHBondContact O-N 2.74Å; T164-L166 PolarHBondContact O-N 2.66Å; T164-D167 PolarHBondContact O-N 3.15Å; T164-M168 HydrophobicContact CG2-SD 4.4Å; T164-M168 VanDerWaalsContact O-CG 3.3Å; T164-M168 WeakPolarHBondContact O-CG 3.5Å; T164-M168 PolarHBondContact O-N 3.21Å
165	L	95.2	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-44	-179.4	-65.7	174.8	0	0	0	111.6	L102 L161 Q162 M168 V169 I183 A186 F190 F205	L102-L165 HydrophobicContact CD1-CD2 4.11Å; L102-L165 HydrophobicContact CD2-CD2 4.19Å; L161-L165 HydrophobicContact CD1-CD1 3.86Å; L161-L165 HydrophobicContact CD1-CG 4.06Å; L161-L165 HydrophobicContact CG-CD1 4.09Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.45Å; Q162-L165 PolarHBondContact O-N 3.34Å; L165-M168 PolarHBondContact O-N 3.37Å; L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 2.92Å; L165-V169 VanDerWaalsContact O-N 3.12Å; L165-I183 HydrophobicContact CD2-CG1 4.37Å; L165-A186 HydrophobicContact CD1-CB 3.9Å; L165-A186 HydrophobicContact CD2-CB 3.74Å; L165-A186 HydrophobicContact CG-CB 4.44Å; L165-F190 HydrophobicContact CD1-CE2 3.73Å; L165-F190 HydrophobicContact CD1-CZ 4.38Å; L165-F205 HydrophobicContact CB-CD2 4.32Å; L165-F205 HydrophobicContact CB-CE2 3.94Å; L165-F205 HydrophobicContact CD1-CD2 3.92Å; L165-F205 HydrophobicContact CD1-CE2 4.18Å
166	L	95.7	Very high	94.9	Very high	23 Å²	23	57.7 Å²	57.7	12%	0.12	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-36.9	178.4	-68	-178.2	0	0	0	112.4	Q162 T164 V169 R170 P208 F209 Q212	Q162-L166 VanDerWaalsContact O-CB 3.28Å; Q162-L166 WeakPolarHBondContact O-CB 3.39Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 2.92Å; T164-L166 PolarHBondContact O-N 2.66Å; L166-V169 PolarHBondContact O-N 3.29Å; L166-R170 PolarHBondContact O-N 3Å; L166-P208 HydrophobicContact CD1-CB 3.92Å; L166-F209 VanDerWaalsContact CD2-CA 3.46Å; L166-F209 HydrophobicContact CD2-CB 3.85Å; L166-F209 HydrophobicContact CD2-CD2 4.48Å; L166-Q212 HydrophobicContact CD2-CB 4.43Å; L166-Q212 PolarHBondContact O-NE2 3.05Å; L166-Q212 PolarHBondContact O-OE1 3.13Å
167	D	95.1	Very high	94.6	Very high	62 Å²	62	60.5 Å²	60.5	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-67.7	-40.2	175	-172.4	66.9	0	0	0	111.8	K163 T164 V169 R170 R171	K163-D167 VanDerWaalsContact O-CB 3.25Å; K163-D167 WeakPolarHBondContact O-CB 3.42Å; K163-D167 PolarHBondContact O-N 3.01Å; T164-D167 PolarHBondContact O-N 3.15Å; D167-V169 VanDerWaalsContact C-N 3.35Å; D167-V169 PolarHBondContact O-N 3.27Å; D167-R170 PolarHBondContact O-N 2.87Å; D167-R171 WeakPolarHBondContact O-CB 3.22Å; D167-R171 VanDerWaalsContact O-CG 3.28Å; D167-R171 WeakPolarHBondContact O-CG 3.38Å; D167-R171 PolarHBondContact O-N 2.97Å; D167-R171 WeakPolarHBondContact OD2-CD 3.2Å
168	M	95	Very high	94.4	Very high	14 Å²	14	61.6 Å²	61.6	7%	0.069	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-45.3	174.2	-69.4	177.6	71.7	0	0	111.8	L102 T164 L165 R170 R171 E172 I178 Q182 I183	L102-M168 HydrophobicContact CD1-SD 3.55Å; L102-M168 VanDerWaalsContact CD1-SD 3.55Å; T164-M168 HydrophobicContact CG2-SD 4.4Å; T164-M168 VanDerWaalsContact O-CG 3.3Å; T164-M168 WeakPolarHBondContact O-CG 3.5Å; T164-M168 PolarHBondContact O-N 3.21Å; L165-M168 PolarHBondContact O-N 3.37Å; M168-R170 VanDerWaalsContact C-N 3.35Å; M168-R170 PolarHBondContact O-N 3.36Å; M168-R171 PolarHBondContact O-N 2.66Å; M168-E172 PolarHBondContact O-N 2.79Å; M168-I178 HydrophobicContact CB-CD1 4.31Å; M168-I178 HydrophobicContact CE-CB 4.25Å; M168-Q182 HydrophobicContact CE-CB 4.21Å; M168-I183 HydrophobicContact CB-CD1 3.9Å; M168-I183 HydrophobicContact CB-CG1 4.33Å; M168-I183 HydrophobicContact CE-CD1 4.42Å; M168-I183 HydrophobicContact CE-CG1 4Å; M168-I183 HydrophobicContact SD-CG1 4.26Å
169	V	95.3	Very high	94.1	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-46.1	174.7	170.8	0	0	0	0	111	L165 L166 D167 R171 E172 R173 I183 F209	L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 2.92Å; L165-V169 VanDerWaalsContact O-N 3.12Å; L166-V169 PolarHBondContact O-N 3.29Å; D167-V169 VanDerWaalsContact C-N 3.35Å; D167-V169 PolarHBondContact O-N 3.27Å; V169-R171 VanDerWaalsContact C-N 3.34Å; V169-R171 PolarHBondContact O-N 2.97Å; V169-E172 PolarHBondContact O-N 3.41Å; V169-R173 PolarHBondContact O-N 3.08Å; V169-I183 HydrophobicContact CG2-CD1 4.03Å; V169-F209 HydrophobicContact CG1-CD2 4.26Å; V169-F209 HydrophobicContact CG1-CE2 3.8Å; V169-F209 HydrophobicContact CG2-CD2 4.36Å; V169-F209 HydrophobicContact CG2-CE2 4.29Å
170	R	95.2	Very high	93.9	Very high	92 Å²	92	58.7 Å²	58.7	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-42.6	179.9	-175.2	-176.1	-72	156.9	-9.3	112	L166 D167 M168 R173 R174 F216	L166-R170 PolarHBondContact O-N 3Å; D167-R170 PolarHBondContact O-N 2.87Å; M168-R170 VanDerWaalsContact C-N 3.35Å; M168-R170 PolarHBondContact O-N 3.36Å; R170-R173 PolarHBondContact O-N 3.13Å; R170-R174 PolarHBondContact O-N 3.25Å; R170-F216 HydrophobicContact CG-CD2 4.41Å
171	R	94.9	Very high	93.7	Very high	90 Å²	90	58.6 Å²	58.6	34%	0.34	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.8	-71.8	172.2	59	-156.4	-7.4	111.5	D167 M168 V169 R173 R174 G175 E176 I178	D167-R171 WeakPolarHBondContact O-CB 3.22Å; D167-R171 VanDerWaalsContact O-CG 3.28Å; D167-R171 WeakPolarHBondContact O-CG 3.38Å; D167-R171 PolarHBondContact O-N 2.97Å; D167-R171 WeakPolarHBondContact OD2-CD 3.2Å; M168-R171 PolarHBondContact O-N 2.66Å; V169-R171 VanDerWaalsContact C-N 3.34Å; V169-R171 PolarHBondContact O-N 2.97Å; R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 3.25Å; R171-R174 PolarHBondContact O-N 3.19Å; R171-R174 VanDerWaalsContact O-N 3.09Å; R171-G175 PolarHBondContact O-N 3.36Å; R171-E176 HydrophobicContact CB-CB 4.09Å; R171-E176 HydrophobicContact CB-CG 4.4Å; R171-E176 IonicContact CZ-OE2 3.4Å; R171-E176 IonicContact NE-OE2 2.76Å; R171-E176 PolarHBondContact NE-OE2 2.74Å; R171-E176 IonicContact NH2-OE2 2.82Å; R171-E176 PolarHBondContact NH2-OE2 3.27Å; R171-E176 WeakPolarHBondContact O-CB 3.44Å; R171-E176 PolarHBondContact O-N 2.86Å; R171-I178 HydrophobicContact CB-CG2 4.24Å
172	E	94.8	Very high	93.6	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-40.2	174.4	-167.9	179.7	-149.9	0	0	112.3	M168 V169 R174 G175 I178 R180 R248	M168-E172 PolarHBondContact O-N 2.79Å; V169-E172 PolarHBondContact O-N 3.41Å; E172-R174 PolarHBondContact O-N 3.31Å; E172-G175 PolarHBondContact O-N 2.85Å; E172-I178 HydrophobicContact CB-CD1 3.77Å; E172-I178 HydrophobicContact CB-CG1 3.9Å; E172-I178 HydrophobicContact CB-CG2 4.48Å; E172-I178 HydrophobicContact CG-CD1 4.16Å; E172-I178 HydrophobicContact CG-CG1 4.07Å; E172-R180 IonicContact OE1-CZ 2.7Å; E172-R180 IonicContact OE1-NE 2.81Å; E172-R180 PolarHBondContact OE1-NE 2.92Å; E172-R180 IonicContact OE1-NH2 2.8Å; E172-R180 PolarHBondContact OE1-NH2 3.42Å; E172-R248 VanDerWaalsContact OE2-CD 3.3Å; E172-R248 WeakPolarHBondContact OE2-CD 3.4Å; E172-R248 IonicContact OE2-CZ 3.35Å; E172-R248 IonicContact OE2-NE 2.71Å; E172-R248 PolarHBondContact OE2-NE 3.32Å
173	R	94.7	Very high	93.6	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.011	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-25.9	175.8	-71.3	178.3	178.1	144.2	2.3	113.6	V169 R170 R171 G175 S213 F216 R241 E245	V169-R173 PolarHBondContact O-N 3.08Å; R170-R173 PolarHBondContact O-N 3.13Å; R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 3.25Å; R173-G175 VanDerWaalsContact C-N 3.29Å; R173-S213 PolarHBondContact NH1-OG 3.43Å; R173-S213 PolarHBondContact NH2-OG 2.95Å; R173-F216 HydrophobicContact CB-CE1 4.08Å; R173-F216 HydrophobicContact CB-CE2 4.17Å; R173-F216 HydrophobicContact CB-CZ 3.68Å; R173-F216 HydrophobicContact CG-CE1 4.41Å; R173-F216 HydrophobicContact CG-CZ 4.44Å; R173-R241 PolarHBondContact O-NH1 3.45Å; R173-R241 VanDerWaalsContact O-NH1 3.09Å; R173-R241 PolarHBondContact O-NH2 3.31Å; R173-E245 IonicContact CZ-OE1 2.58Å; R173-E245 VanDerWaalsContact CZ-OE1 3.24Å; R173-E245 IonicContact NE-OE1 3.93Å; R173-E245 PolarHBondContact NE-OE1 3.44Å; R173-E245 IonicContact NH2-OE1 3.76Å; R173-E245 PolarHBondContact NH2-OE1 3.5Å; R173-E245 IonicContact NH2-OE2 2.66Å
174	R	93.3	Very high	93.6	Very high	166 Å²	166	57.6 Å²	57.6	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	0.4	173.3	-60.7	-176.4	-156.5	-87	5.4	113.3	R170 R171 E172	R170-R174 PolarHBondContact O-N 3.25Å; R171-R174 PolarHBondContact O-N 3.19Å; R171-R174 VanDerWaalsContact O-N 3.09Å; E172-R174 PolarHBondContact O-N 3.31Å
175	G	91.5	Very high	93.6	Very high	67 Å²	67	57.4 Å²	57.4	69%	0.691	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	10.4	-179.9	0	0	0	0	0	114.5	R171 E172 R173	R171-G175 PolarHBondContact O-N 3.36Å; E172-G175 PolarHBondContact O-N 2.85Å; R173-G175 VanDerWaalsContact C-N 3.29Å
176	E	93.9	Very high	93.5	Very high	81 Å²	81	57.9 Å²	57.9	38%	0.379	29%	0.29	S	S	.	.			trans	-75.7	144.6	175	-62.1	177.9	-132.1	0	0	111.6	R171 I178	R171-E176 HydrophobicContact CB-CB 4.09Å; R171-E176 HydrophobicContact CB-CG 4.4Å; R171-E176 IonicContact CZ-OE2 3.4Å; R171-E176 IonicContact NE-OE2 2.76Å; R171-E176 PolarHBondContact NE-OE2 2.74Å; R171-E176 IonicContact NH2-OE2 2.82Å; R171-E176 PolarHBondContact NH2-OE2 3.27Å; R171-E176 WeakPolarHBondContact O-CB 3.44Å; R171-E176 PolarHBondContact O-N 2.86Å; E176-I178 PolarHBondContact O-N 3.47Å
177	V	90.3	Very high	93.5	Very high	142 Å²	142	57 Å²	57	86%	0.861	29%	0.286	S	S	*	.			trans	-75.9	121.2	176.2	-178.8	0	0	0	0	109.8
178	I	91.4	Very high	93.5	Very high	23 Å²	23	58.8 Å²	58.8	12%	0.118	29%	0.292	C	S	.	.			trans	-120	158.7	176.8	61.7	151.6	0	0	0	111.9	M168 R171 E172 E176 R180 I183	M168-I178 HydrophobicContact CB-CD1 4.31Å; M168-I178 HydrophobicContact CE-CB 4.25Å; R171-I178 HydrophobicContact CB-CG2 4.24Å; E172-I178 HydrophobicContact CB-CD1 3.77Å; E172-I178 HydrophobicContact CB-CG1 3.9Å; E172-I178 HydrophobicContact CB-CG2 4.48Å; E172-I178 HydrophobicContact CG-CD1 4.16Å; E172-I178 HydrophobicContact CG-CG1 4.07Å; E176-I178 PolarHBondContact O-N 3.47Å; I178-R180 VanDerWaalsContact C-N 3.31Å; I178-R180 HydrophobicContact CG1-CG 4.39Å; I178-R180 PolarHBondContact O-N 3.44Å; I178-I183 HydrophobicContact CD1-CD1 3.46Å; I178-I183 VanDerWaalsContact CD1-CD1 3.46Å
179	S	89.3	Confident	93.5	Very high	50 Å²	50	58.3 Å²	58.3	35%	0.35	29%	0.29	S	S	.	.			trans	-78.3	84.3	171.1	-169.6	0	0	0	0	110.6	S181 Q182	S179-S181 PolarHBondContact O-N 2.95Å; S179-S181 VanDerWaalsContact O-N 3.13Å; S179-S181 PolarHBondContact OG-OG 2.96Å; S179-Q182 WeakPolarHBondContact O-CB 3.32Å; S179-Q182 PolarHBondContact O-N 3.42Å
180	R	90.8	Very high	93.6	Very high	123 Å²	123	58.3 Å²	58.3	46%	0.464	29%	0.29	S	S	.	.	H	α-helix	trans	-44.2	-38.6	173.5	-81.1	-168.7	175.7	178.6	5.7	114.8	E172 I178 Q182 I183 R184 H252	E172-R180 IonicContact OE1-CZ 2.7Å; E172-R180 IonicContact OE1-NE 2.81Å; E172-R180 PolarHBondContact OE1-NE 2.92Å; E172-R180 IonicContact OE1-NH2 2.8Å; E172-R180 PolarHBondContact OE1-NH2 3.42Å; I178-R180 VanDerWaalsContact C-N 3.31Å; I178-R180 HydrophobicContact CG1-CG 4.39Å; I178-R180 PolarHBondContact O-N 3.44Å; R180-Q182 VanDerWaalsContact C-N 3.32Å; R180-Q182 PolarHBondContact O-N 2.95Å; R180-I183 PolarHBondContact O-N 3.43Å; R180-R184 PolarHBondContact O-N 2.97Å; R180-H252 WeakPolarHBondContact CB-CE1 3.22Å; R180-H252 WeakPolarHBondContact CB-NE2 3.43Å; R180-H252 WeakPolarHBondContact CD-NE2 3.12Å; R180-H252 VanDerWaalsContact CG-CE1 3.45Å; R180-H252 WeakPolarHBondContact CG-CE1 3.36Å; R180-H252 WeakPolarHBondContact CG-NE2 3.48Å; R180-H252 PolarHBondContact O-ND1 3.49Å
181	S	91.9	Very high	93.5	Very high	51 Å²	51	56.1 Å²	56.1	36%	0.357	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-32.9	176.4	49.2	0	0	0	0	113.4	S179 R184 D185	S179-S181 PolarHBondContact O-N 2.95Å; S179-S181 VanDerWaalsContact O-N 3.13Å; S179-S181 PolarHBondContact OG-OG 2.96Å; S181-R184 PolarHBondContact O-N 3.01Å; S181-D185 VanDerWaalsContact O-CB 3.28Å; S181-D185 WeakPolarHBondContact O-CB 3.27Å; S181-D185 PolarHBondContact O-N 3.48Å; S181-D185 VanDerWaalsContact O-OD1 3.06Å
182	Q	92.6	Very high	93.5	Very high	56 Å²	56	55 Å²	55	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-39.5	-179.3	-70.6	178.2	-33.4	0	0	112	L102 T103 M168 S179 R180 A186	L102-Q182 HydrophobicContact CD1-CB 3.95Å; T103-Q182 PolarHBondContact OG1-NE2 3.37Å; M168-Q182 HydrophobicContact CE-CB 4.21Å; S179-Q182 WeakPolarHBondContact O-CB 3.32Å; S179-Q182 PolarHBondContact O-N 3.42Å; R180-Q182 VanDerWaalsContact C-N 3.32Å; R180-Q182 PolarHBondContact O-N 2.95Å; Q182-A186 WeakPolarHBondContact O-CB 3.45Å; Q182-A186 PolarHBondContact O-N 3.24Å
183	I	94.1	Very high	93.5	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-48.8	175.5	-60.3	179.4	0	0	0	109.7	L165 M168 V169 I178 R180 D185 A186 C187 H252 L253	L165-I183 HydrophobicContact CD2-CG1 4.37Å; M168-I183 HydrophobicContact CB-CD1 3.9Å; M168-I183 HydrophobicContact CB-CG1 4.33Å; M168-I183 HydrophobicContact CE-CD1 4.42Å; M168-I183 HydrophobicContact CE-CG1 4Å; M168-I183 HydrophobicContact SD-CG1 4.26Å; V169-I183 HydrophobicContact CG2-CD1 4.03Å; I178-I183 HydrophobicContact CD1-CD1 3.46Å; I178-I183 VanDerWaalsContact CD1-CD1 3.46Å; R180-I183 PolarHBondContact O-N 3.43Å; I183-D185 PolarHBondContact O-N 3.35Å; I183-A186 PolarHBondContact O-N 2.97Å; I183-C187 WeakPolarHBondContact O-CB 3.45Å; I183-C187 PolarHBondContact O-N 3.09Å; I183-C187 PolarHBondContact O-SG 3.12Å; I183-H252 HydrophobicContact CB-CB 4.33Å; I183-H252 HydrophobicContact CG2-CB 3.98Å; I183-L253 HydrophobicContact CG2-CD2 4.41Å
184	R	95	Very high	93.1	Very high	111 Å²	111	55 Å²	55	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-58	-47.9	178.9	-174.8	-164.4	62.4	-146.3	-7.8	111.8	R180 S181 A186 C187 Q188 H252	R180-R184 PolarHBondContact O-N 2.97Å; S181-R184 PolarHBondContact O-N 3.01Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.21Å; R184-C187 PolarHBondContact O-N 2.93Å; R184-Q188 WeakPolarHBondContact O-CB 3.3Å; R184-Q188 PolarHBondContact O-N 3.22Å; R184-H252 HydrophobicContact CB-CB 4.36Å
185	D	94.7	Very high	92.7	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.16	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-39.4	-179.3	-72.1	14.4	0	0	0	111.1	N106 K110 S181 I183 Q188 M189	N106-D185 PolarHBondContact ND2-OD2 2.74Å; K110-D185 IonicContact NZ-OD2 2.88Å; S181-D185 VanDerWaalsContact O-CB 3.28Å; S181-D185 WeakPolarHBondContact O-CB 3.27Å; S181-D185 PolarHBondContact O-N 3.48Å; S181-D185 VanDerWaalsContact O-OD1 3.06Å; I183-D185 PolarHBondContact O-N 3.35Å; D185-Q188 PolarHBondContact O-N 3.36Å; D185-M189 WeakPolarHBondContact O-CB 3.39Å; D185-M189 PolarHBondContact O-N 3.4Å
186	A	94.8	Very high	92.2	Very high	10 Å²	10	49.9 Å²	49.9	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-41.6	175.1	0	0	0	0	0	112.8	L165 Q182 I183 R184 Q188 M189 F190	L165-A186 HydrophobicContact CD1-CB 3.9Å; L165-A186 HydrophobicContact CD2-CB 3.74Å; L165-A186 HydrophobicContact CG-CB 4.44Å; Q182-A186 WeakPolarHBondContact O-CB 3.45Å; Q182-A186 PolarHBondContact O-N 3.24Å; I183-A186 PolarHBondContact O-N 2.97Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.21Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; A186-M189 WeakPolarHBondContact O-CB 3.41Å; A186-M189 PolarHBondContact O-N 3.07Å; A186-F190 WeakPolarHBondContact O-CD2 3.39Å; A186-F190 PolarHBondContact O-N 3.47Å
187	C	95.3	Very high	92	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-44.8	174.6	-67.7	0	0	0	0	110.9	I183 R184 M189 F190 V191 Y201	I183-C187 WeakPolarHBondContact O-CB 3.45Å; I183-C187 PolarHBondContact O-N 3.09Å; I183-C187 PolarHBondContact O-SG 3.12Å; R184-C187 PolarHBondContact O-N 2.93Å; C187-M189 VanDerWaalsContact C-N 3.31Å; C187-M189 PolarHBondContact O-N 3.34Å; C187-F190 PolarHBondContact O-N 2.81Å; C187-F190 VanDerWaalsContact O-N 3.15Å; C187-V191 WeakPolarHBondContact O-CG2 3.35Å; C187-V191 PolarHBondContact O-N 3.43Å; C187-Y201 HydrophobicContact CB-CD2 4.45Å; C187-Y201 HydrophobicContact CB-CE2 3.97Å
188	Q	94.6	Very high	92.2	Very high	101 Å²	101	45 Å²	45	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-37.2	177.1	-170.4	164.8	17.3	0	0	112.1	R184 D185 A186 V191 Q192	R184-Q188 WeakPolarHBondContact O-CB 3.3Å; R184-Q188 PolarHBondContact O-N 3.22Å; D185-Q188 PolarHBondContact O-N 3.36Å; A186-Q188 VanDerWaalsContact C-N 3.34Å; Q188-V191 PolarHBondContact O-N 2.81Å; Q188-Q192 HydrophobicContact CG-CG 4.47Å; Q188-Q192 WeakPolarHBondContact O-CB 3.49Å; Q188-Q192 VanDerWaalsContact O-CG 3.24Å; Q188-Q192 WeakPolarHBondContact O-CG 3.24Å; Q188-Q192 PolarHBondContact O-N 2.92Å
189	M	95.8	Very high	92.3	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-49.3	170.7	176.5	-174.5	72.1	0	0	111.1	L105 W109 F147 V152 L161 D185 A186 C187 V191 Q192 L193	L105-M189 HydrophobicContact CD2-CE 4.06Å; L105-M189 HydrophobicContact CG-CE 4.48Å; L105-M189 HydrophobicContact CG-SD 4.4Å; W109-M189 HydrophobicContact CB-CG 4.49Å; W109-M189 HydrophobicContact CB-SD 3.97Å; W109-M189 HydrophobicContact CD2-CG 3.75Å; W109-M189 HydrophobicContact CD2-SD 4.27Å; W109-M189 HydrophobicContact CE3-CG 4.4Å; W109-M189 HydrophobicContact CG-CB 4.35Å; W109-M189 HydrophobicContact CG-CG 3.76Å; W109-M189 HydrophobicContact CG-SD 3.88Å; W109-M189 HydrophobicContact CZ2-CG 4.33Å; F147-M189 HydrophobicContact CE1-SD 4.28Å; V152-M189 HydrophobicContact CG2-CE 4.13Å; V152-M189 HydrophobicContact CG2-SD 4.35Å; L161-M189 HydrophobicContact CD2-CE 4.02Å; D185-M189 WeakPolarHBondContact O-CB 3.39Å; D185-M189 PolarHBondContact O-N 3.4Å; A186-M189 WeakPolarHBondContact O-CB 3.41Å; A186-M189 PolarHBondContact O-N 3.07Å; C187-M189 VanDerWaalsContact C-N 3.31Å; C187-M189 PolarHBondContact O-N 3.34Å; M189-V191 VanDerWaalsContact C-N 3.33Å; M189-V191 PolarHBondContact O-N 3.06Å; M189-Q192 PolarHBondContact O-N 3.34Å; M189-L193 HydrophobicContact CG-CD1 3.77Å; M189-L193 HydrophobicContact CG-CG 4.22Å; M189-L193 WeakPolarHBondContact O-CB 3.28Å; M189-L193 WeakPolarHBondContact O-CG 3.26Å; M189-L193 PolarHBondContact O-N 2.88Å
190	F	95.7	Very high	92.5	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-41.1	177.8	-69.7	-57.1	0	0	0	113.2	V152 L161 L165 A186 C187 L193 G194 V200 Y201 D204 F205	V152-F190 HydrophobicContact CG1-CD1 4.21Å; V152-F190 HydrophobicContact CG1-CE1 3.62Å; L161-F190 HydrophobicContact CD2-CE1 3.88Å; L161-F190 HydrophobicContact CD2-CE2 4.3Å; L161-F190 HydrophobicContact CD2-CZ 3.41Å; L161-F190 VanDerWaalsContact CD2-CZ 3.41Å; L161-F190 HydrophobicContact CG-CZ 3.95Å; L165-F190 HydrophobicContact CD1-CE2 3.73Å; L165-F190 HydrophobicContact CD1-CZ 4.38Å; A186-F190 WeakPolarHBondContact O-CD2 3.39Å; A186-F190 PolarHBondContact O-N 3.47Å; C187-F190 PolarHBondContact O-N 2.81Å; C187-F190 VanDerWaalsContact O-N 3.15Å; F190-L193 PolarHBondContact O-N 3.4Å; F190-G194 PolarHBondContact O-N 2.92Å; F190-V200 HydrophobicContact CB-CG1 4.42Å; F190-V200 HydrophobicContact CD1-CG1 3.91Å; F190-Y201 HydrophobicContact CB-CD2 4.16Å; F190-D204 HydrophobicContact CD1-CB 4.31Å; F190-D204 HydrophobicContact CE1-CB 3.96Å; F190-F205 HydrophobicContact CD2-CB 3.83Å; F190-F205 HydrophobicContact CD2-CG 4.39Å; F190-F205 HydrophobicContact CE2-CB 3.75Å; F190-F205 HydrophobicContact CE2-CD2 4.4Å; F190-F205 HydrophobicContact CE2-CG 4.27Å; F190-F205 HydrophobicContact CZ-CB 4.44Å
191	V	94.8	Very high	92.8	Very high	45 Å²	45	42.6 Å²	42.6	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-45.5	176.4	174.2	0	0	0	0	110.8	C187 Q188 M189 G194 L198 Y201 D254	C187-V191 WeakPolarHBondContact O-CG2 3.35Å; C187-V191 PolarHBondContact O-N 3.43Å; Q188-V191 PolarHBondContact O-N 2.81Å; M189-V191 VanDerWaalsContact C-N 3.33Å; M189-V191 PolarHBondContact O-N 3.06Å; V191-G194 PolarHBondContact O-N 3.27Å; V191-L198 HydrophobicContact CB-CD2 4.44Å; V191-L198 HydrophobicContact CG1-CD2 4.06Å; V191-L198 HydrophobicContact CG2-CD2 3.84Å; V191-Y201 HydrophobicContact CG2-CD2 3.93Å; V191-Y201 HydrophobicContact CG2-CG 3.95Å; V191-D254 HydrophobicContact CG2-CB 4.48Å
192	Q	94.2	Very high	93	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-68.9	-35.4	-179.2	-72.6	173	-12.6	0	0	112.8	W109 Q188 M189 G194 A195	W109-Q192 HydrophobicContact CH2-CB 4.46Å; W109-Q192 HydrophobicContact CZ2-CB 3.74Å; Q188-Q192 HydrophobicContact CG-CG 4.47Å; Q188-Q192 WeakPolarHBondContact O-CB 3.49Å; Q188-Q192 VanDerWaalsContact O-CG 3.24Å; Q188-Q192 WeakPolarHBondContact O-CG 3.24Å; Q188-Q192 PolarHBondContact O-N 2.92Å; M189-Q192 PolarHBondContact O-N 3.34Å; Q192-G194 PolarHBondContact O-N 3.26Å; Q192-A195 PolarHBondContact O-N 3.32Å
193	L	94.1	Very high	93.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-28	177.1	-76.3	169.3	0	0	0	113.1	W109 M144 F147 C148 V152 M189 F190 A195 V200	W109-L193 HydrophobicContact CE3-CD2 4.22Å; W109-L193 HydrophobicContact CH2-CD2 3.5Å; W109-L193 VanDerWaalsContact CH2-CD2 3.5Å; W109-L193 HydrophobicContact CH2-CG 3.86Å; W109-L193 HydrophobicContact CZ2-CD2 4.48Å; W109-L193 HydrophobicContact CZ2-CG 4.42Å; W109-L193 HydrophobicContact CZ3-CD2 3.37Å; W109-L193 HydrophobicContact CZ3-CG 4.11Å; M144-L193 WeakPolarHBondContact O-CD2 3.37Å; F147-L193 HydrophobicContact CB-CD2 4.17Å; F147-L193 HydrophobicContact CD1-CD2 3.79Å; F147-L193 HydrophobicContact CG-CD2 4.38Å; C148-L193 HydrophobicContact CB-CB 4.4Å; C148-L193 HydrophobicContact CB-CD2 4.03Å; V152-L193 HydrophobicContact CB-CD1 4.23Å; V152-L193 HydrophobicContact CG1-CD1 4.3Å; V152-L193 HydrophobicContact CG2-CD1 3.74Å; M189-L193 HydrophobicContact CG-CD1 3.77Å; M189-L193 HydrophobicContact CG-CG 4.22Å; M189-L193 WeakPolarHBondContact O-CB 3.28Å; M189-L193 WeakPolarHBondContact O-CG 3.26Å; M189-L193 PolarHBondContact O-N 2.88Å; F190-L193 PolarHBondContact O-N 3.4Å; L193-A195 PolarHBondContact O-N 2.88Å; L193-V200 HydrophobicContact CB-CB 4.5Å; L193-V200 HydrophobicContact CB-CG1 4.11Å; L193-V200 HydrophobicContact CB-CG2 4.49Å
194	G	86.8	Confident	93.1	Very high	14 Å²	14	43.7 Å²	43.7	14%	0.144	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.9	175.3	0	0	0	0	0	114.5	F190 V191 Q192 G196 S197	F190-G194 PolarHBondContact O-N 2.92Å; V191-G194 PolarHBondContact O-N 3.27Å; Q192-G194 PolarHBondContact O-N 3.26Å; G194-G196 VanDerWaalsContact C-N 3.31Å; G194-G196 PolarHBondContact O-N 3.48Å; G194-G196 VanDerWaalsContact O-N 3.15Å; G194-S197 CarbonylContact C-O 3.52Å; G194-S197 WeakPolarHBondContact CA-O 3.38Å; G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 2.76Å
195	A	84.3	Confident	93.1	Very high	35 Å²	35	38.5 Å²	38.5	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	50	170.6	0	0	0	0	0	114.4	K141 M144 Q192 L193	K141-A195 HydrophobicContact CB-CB 4.25Å; K141-A195 HydrophobicContact CD-CB 4.06Å; K141-A195 HydrophobicContact CG-CB 3.64Å; M144-A195 HydrophobicContact CB-CB 4.41Å; Q192-A195 PolarHBondContact O-N 3.32Å; L193-A195 PolarHBondContact O-N 2.88Å
196	G	81.9	Confident	93.2	Very high	91 Å²	91	37.4 Å²	37.4	94%	0.938	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	105	-4.7	-177	0	0	0	0	0	114.6	G194	G194-G196 VanDerWaalsContact C-N 3.31Å; G194-G196 PolarHBondContact O-N 3.48Å; G194-G196 VanDerWaalsContact O-N 3.15Å
197	S	90.6	Very high	93.3	Very high	60 Å²	60	43 Å²	43	42%	0.42	24%	0.243	S	C	.	.			trans	-118.8	146.9	170.2	-178.7	0	0	0	0	110.7	G194 R199	G194-S197 CarbonylContact C-O 3.52Å; G194-S197 WeakPolarHBondContact CA-O 3.38Å; G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 2.76Å; S197-R199 VanDerWaalsContact C-N 3.26Å; S197-R199 PolarHBondContact O-N 3.01Å; S197-R199 WeakPolarHBondContact OG-CB 3.12Å; S197-R199 PolarHBondContact OG-N 3.27Å
198	L	93.4	Very high	93.4	Very high	60 Å²	60	44.5 Å²	44.5	31%	0.314	25%	0.252	S	S	.	.	S	Bend	trans	-82.1	-1.1	171.5	-82.3	160.8	0	0	0	113	V191 V200 Y201 L202	V191-L198 HydrophobicContact CB-CD2 4.44Å; V191-L198 HydrophobicContact CG1-CD2 4.06Å; V191-L198 HydrophobicContact CG2-CD2 3.84Å; L198-V200 VanDerWaalsContact C-N 3.31Å; L198-V200 PolarHBondContact O-N 3.31Å; L198-V200 VanDerWaalsContact O-N 3.14Å; L198-Y201 HydrophobicContact CD2-CD1 4.19Å; L198-Y201 HydrophobicContact CD2-CG 4.45Å; L198-Y201 WeakPolarHBondContact O-CA 3.32Å; L198-Y201 WeakPolarHBondContact O-CB 3.43Å; L198-Y201 PolarHBondContact O-N 3.49Å; L198-L202 HydrophobicContact CB-CD1 4.16Å; L198-L202 HydrophobicContact CB-CG 4.12Å; L198-L202 WeakPolarHBondContact O-CG 3.3Å; L198-L202 PolarHBondContact O-N 2.71Å
199	R	94	Very high	93.5	Very high	141 Å²	141	39.7 Å²	39.7	53%	0.532	23%	0.23	S	C	.	.	H	α-helix	trans	-51.1	-44.9	-170.1	-173.5	178.7	69.2	178.5	1.6	114	S197 L202 E203	S197-R199 VanDerWaalsContact C-N 3.26Å; S197-R199 PolarHBondContact O-N 3.01Å; S197-R199 WeakPolarHBondContact OG-CB 3.12Å; S197-R199 PolarHBondContact OG-N 3.27Å; R199-L202 PolarHBondContact O-N 2.86Å; R199-E203 VanDerWaalsContact CD-OE1 3.29Å; R199-E203 WeakPolarHBondContact CD-OE1 3.29Å; R199-E203 HydrophobicContact CG-CG 4.1Å; R199-E203 WeakPolarHBondContact CG-OE1 3.49Å; R199-E203 WeakPolarHBondContact O-CB 3.07Å; R199-E203 WeakPolarHBondContact O-CG 3.5Å; R199-E203 PolarHBondContact O-N 2.97Å
200	V	93.9	Very high	93.6	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-46.2	179.7	-179.7	0	0	0	0	110.5	F190 L193 L198 L202 D204	F190-V200 HydrophobicContact CB-CG1 4.42Å; F190-V200 HydrophobicContact CD1-CG1 3.91Å; L193-V200 HydrophobicContact CB-CB 4.5Å; L193-V200 HydrophobicContact CB-CG1 4.11Å; L193-V200 HydrophobicContact CB-CG2 4.49Å; L198-V200 VanDerWaalsContact C-N 3.31Å; L198-V200 PolarHBondContact O-N 3.31Å; L198-V200 VanDerWaalsContact O-N 3.14Å; V200-L202 PolarHBondContact O-N 2.85Å; V200-D204 WeakPolarHBondContact O-CB 3.1Å; V200-D204 PolarHBondContact O-N 3.47Å
201	Y	96.4	Very high	93.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-43.9	174.5	174.5	-96.4	0	0	0	112.7	C187 F190 V191 L198 F205 E206 D254 T257	C187-Y201 HydrophobicContact CB-CD2 4.45Å; C187-Y201 HydrophobicContact CB-CE2 3.97Å; F190-Y201 HydrophobicContact CB-CD2 4.16Å; V191-Y201 HydrophobicContact CG2-CD2 3.93Å; V191-Y201 HydrophobicContact CG2-CG 3.95Å; L198-Y201 HydrophobicContact CD2-CD1 4.19Å; L198-Y201 HydrophobicContact CD2-CG 4.45Å; L198-Y201 WeakPolarHBondContact O-CA 3.32Å; L198-Y201 WeakPolarHBondContact O-CB 3.43Å; L198-Y201 PolarHBondContact O-N 3.49Å; Y201-F205 HydrophobicContact CD2-CD1 4.18Å; Y201-F205 AromaticContact CE2-CD1 3.56Å; Y201-F205 HydrophobicContact CE2-CD1 3.56Å; Y201-F205 HydrophobicContact CE2-CE1 4.11Å; Y201-F205 AromaticContact CZ-CD1 3.99Å; Y201-F205 PolarHBondContact O-N 2.91Å; Y201-F205 VanDerWaalsContact O-N 3.14Å; Y201-E206 HydrophobicContact CD1-CB 4.22Å; Y201-E206 HydrophobicContact CE1-CB 3.84Å; Y201-E206 HydrophobicContact CE1-CG 4.1Å; Y201-E206 PolarHBondContact O-N 3.29Å; Y201-D254 HydrophobicContact CD1-CB 4.14Å; Y201-D254 HydrophobicContact CE1-CB 3.53Å; Y201-D254 HydrophobicContact CE2-CB 4.17Å; Y201-D254 PolarHBondContact OH-N 3Å; Y201-D254 VanDerWaalsContact OH-N 3.15Å; Y201-T257 WeakPolarHBondContact CE1-OG1 3.47Å; Y201-T257 PolarHBondContact OH-OG1 3.09Å
202	L	95.8	Very high	93.8	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.277	25%	0.249	S	C	.	.	I	π-helix	trans	-65.1	-51.2	-178.6	-60.6	174.8	0	0	0	112.2	L198 R199 V200 E206 Q207	L198-L202 HydrophobicContact CB-CD1 4.16Å; L198-L202 HydrophobicContact CB-CG 4.12Å; L198-L202 WeakPolarHBondContact O-CG 3.3Å; L198-L202 PolarHBondContact O-N 2.71Å; R199-L202 PolarHBondContact O-N 2.86Å; V200-L202 PolarHBondContact O-N 2.85Å; L202-E206 HydrophobicContact CD2-CB 4.43Å; L202-E206 WeakPolarHBondContact CD2-OE2 3.39Å; L202-E206 PolarHBondContact O-N 2.93Å; L202-Q207 WeakPolarHBondContact O-CB 3.4Å; L202-Q207 WeakPolarHBondContact O-CG 3.45Å; L202-Q207 PolarHBondContact O-N 2.99Å
203	E	94.7	Very high	94	Very high	78 Å²	78	41 Å²	41	36%	0.364	23%	0.234	S	C	.	.	I	π-helix	trans	-75	-42.3	-175.1	-68.9	173.2	178.6	0	0	112.5	R153 R199	R153-E203 IonicContact CZ-OE2 2.67Å; R153-E203 IonicContact NH2-OE2 3.81Å; R153-E203 PolarHBondContact NH2-OE2 2.88Å; R199-E203 VanDerWaalsContact CD-OE1 3.29Å; R199-E203 WeakPolarHBondContact CD-OE1 3.29Å; R199-E203 HydrophobicContact CG-CG 4.1Å; R199-E203 WeakPolarHBondContact CG-OE1 3.49Å; R199-E203 WeakPolarHBondContact O-CB 3.07Å; R199-E203 WeakPolarHBondContact O-CG 3.5Å; R199-E203 PolarHBondContact O-N 2.97Å
204	D	93.6	Very high	94.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.246	C	C	.	.	I	π-helix	trans	-93.5	-11.2	-169.9	-62.3	-55.2	0	0	0	113.1	R153 R158 Q162 F190 V200	R153-D204 IonicContact CZ-OD2 2.78Å; R153-D204 IonicContact NE-OD2 2.83Å; R153-D204 PolarHBondContact NE-OD2 2.92Å; R153-D204 IonicContact NH2-OD2 3.22Å; R153-D204 PolarHBondContact NH2-OD2 3.22Å; R158-D204 IonicContact CZ-OD1 2.6Å; R158-D204 IonicContact NE-OD1 3.47Å; R158-D204 PolarHBondContact NE-OD1 2.88Å; R158-D204 IonicContact NH2-OD1 2.66Å; R158-D204 PolarHBondContact NH2-OD1 2.87Å; Q162-D204 WeakPolarHBondContact CG-O 3.48Å; Q162-D204 PolarHBondContact NE2-O 3.3Å; F190-D204 HydrophobicContact CD1-CB 4.31Å; F190-D204 HydrophobicContact CE1-CB 3.96Å; V200-D204 WeakPolarHBondContact O-CB 3.1Å; V200-D204 PolarHBondContact O-N 3.47Å
205	F	95.9	Very high	94.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.259	C	S	.	.	I	π-helix	trans	-139.1	-56.2	177.4	176.5	-99.4	0	0	0	114.6	L165 F190 Y201 Q207 P208 F209 L253	L165-F205 HydrophobicContact CB-CD2 4.32Å; L165-F205 HydrophobicContact CB-CE2 3.94Å; L165-F205 HydrophobicContact CD1-CD2 3.92Å; L165-F205 HydrophobicContact CD1-CE2 4.18Å; F190-F205 HydrophobicContact CD2-CB 3.83Å; F190-F205 HydrophobicContact CD2-CG 4.39Å; F190-F205 HydrophobicContact CE2-CB 3.75Å; F190-F205 HydrophobicContact CE2-CD2 4.4Å; F190-F205 HydrophobicContact CE2-CG 4.27Å; F190-F205 HydrophobicContact CZ-CB 4.44Å; Y201-F205 HydrophobicContact CD2-CD1 4.18Å; Y201-F205 AromaticContact CE2-CD1 3.56Å; Y201-F205 HydrophobicContact CE2-CD1 3.56Å; Y201-F205 HydrophobicContact CE2-CE1 4.11Å; Y201-F205 AromaticContact CZ-CD1 3.99Å; Y201-F205 PolarHBondContact O-N 2.91Å; Y201-F205 VanDerWaalsContact O-N 3.14Å; F205-Q207 PolarHBondContact O-N 3.47Å; F205-P208 VanDerWaalsContact O-CD 3.31Å; F205-P208 WeakPolarHBondContact O-CD 3.25Å; F205-F209 HydrophobicContact CE1-CB 4.2Å; F205-F209 HydrophobicContact CE1-CG 4.36Å; F205-F209 HydrophobicContact CE2-CB 4.4Å; F205-F209 HydrophobicContact CZ-CB 4.09Å; F205-F209 HydrophobicContact CZ-CD2 4.22Å; F205-F209 HydrophobicContact CZ-CG 4.23Å; F205-F209 VanDerWaalsContact O-CB 3.28Å; F205-F209 WeakPolarHBondContact O-CB 3.42Å; F205-F209 PolarHBondContact O-N 2.7Å; F205-L253 HydrophobicContact CE1-CD2 3.75Å; F205-L253 HydrophobicContact CZ-CD2 3.93Å
206	E	96.9	Very high	95.3	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.033	25%	0.252	C	S	.	.	I	π-helix	trans	-62.4	-45.7	-168.8	-165.5	-168.6	-126.9	0	0	112.3	Y201 L202 F209 L210 T257 K260	Y201-E206 HydrophobicContact CD1-CB 4.22Å; Y201-E206 HydrophobicContact CE1-CB 3.84Å; Y201-E206 HydrophobicContact CE1-CG 4.1Å; Y201-E206 PolarHBondContact O-N 3.29Å; L202-E206 HydrophobicContact CD2-CB 4.43Å; L202-E206 WeakPolarHBondContact CD2-OE2 3.39Å; L202-E206 PolarHBondContact O-N 2.93Å; E206-F209 WeakPolarHBondContact O-CB 3.33Å; E206-F209 PolarHBondContact O-N 3.19Å; E206-L210 HydrophobicContact CG-CD1 4.05Å; E206-L210 HydrophobicContact CG-CG 4.3Å; E206-L210 VanDerWaalsContact O-CG 3.31Å; E206-L210 WeakPolarHBondContact O-CG 3.18Å; E206-L210 PolarHBondContact O-N 2.92Å; E206-T257 HydrophobicContact CG-CG2 3.93Å; E206-T257 VanDerWaalsContact OE1-CA 3.26Å; E206-T257 WeakPolarHBondContact OE1-CA 3.3Å; E206-T257 WeakPolarHBondContact OE1-CB 3.28Å; E206-T257 PolarHBondContact OE1-OG1 3.06Å; E206-K260 WeakPolarHBondContact OE1-CD 3.11Å; E206-K260 IonicContact OE1-NZ 2.87Å; E206-K260 PolarHBondContact OE1-NZ 3.42Å; E206-K260 IonicContact OE2-NZ 3.3Å; E206-K260 PolarHBondContact OE2-NZ 3.18Å
207	Q	97.1	Very high	96.1	Very high	129 Å²	129	43.4 Å²	43.4	60%	0.603	21%	0.207	S	C	*	.	H	α-helix	trans	-60.9	-52.7	178	-79.4	-170.4	-4.3	0	0	112.6	L202 F205 F209 L210 E211	L202-Q207 WeakPolarHBondContact O-CB 3.4Å; L202-Q207 WeakPolarHBondContact O-CG 3.45Å; L202-Q207 PolarHBondContact O-N 2.99Å; F205-Q207 PolarHBondContact O-N 3.47Å; Q207-F209 VanDerWaalsContact C-N 3.25Å; Q207-F209 PolarHBondContact O-N 3.14Å; Q207-L210 PolarHBondContact O-N 3.13Å; Q207-E211 PolarHBondContact O-N 3.48Å
208	P	96.9	Very high	96.4	Very high	34 Å²	34	43.1 Å²	43.1	22%	0.221	20%	0.197	C	C	.	.	H	α-helix	trans	-55.9	-37.4	172.1	-27.1	32.7	0	0	0	114	L166 F205 Q212	L166-P208 HydrophobicContact CD1-CB 3.92Å; F205-P208 VanDerWaalsContact O-CD 3.31Å; F205-P208 WeakPolarHBondContact O-CD 3.25Å; P208-Q212 VanDerWaalsContact O-CB 3.32Å; P208-Q212 WeakPolarHBondContact O-CB 3.44Å; P208-Q212 PolarHBondContact O-N 3.29Å
209	F	97.3	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-47.1	176.9	164	-97.2	0	0	0	112.1	L166 V169 F205 E206 Q207 Q212 S213 L253 T257 I261	L166-F209 VanDerWaalsContact CD2-CA 3.46Å; L166-F209 HydrophobicContact CD2-CB 3.85Å; L166-F209 HydrophobicContact CD2-CD2 4.48Å; V169-F209 HydrophobicContact CG1-CD2 4.26Å; V169-F209 HydrophobicContact CG1-CE2 3.8Å; V169-F209 HydrophobicContact CG2-CD2 4.36Å; V169-F209 HydrophobicContact CG2-CE2 4.29Å; F205-F209 HydrophobicContact CE1-CB 4.2Å; F205-F209 HydrophobicContact CE1-CG 4.36Å; F205-F209 HydrophobicContact CE2-CB 4.4Å; F205-F209 HydrophobicContact CZ-CB 4.09Å; F205-F209 HydrophobicContact CZ-CD2 4.22Å; F205-F209 HydrophobicContact CZ-CG 4.23Å; F205-F209 VanDerWaalsContact O-CB 3.28Å; F205-F209 WeakPolarHBondContact O-CB 3.42Å; F205-F209 PolarHBondContact O-N 2.7Å; E206-F209 WeakPolarHBondContact O-CB 3.33Å; E206-F209 PolarHBondContact O-N 3.19Å; Q207-F209 VanDerWaalsContact C-N 3.25Å; Q207-F209 PolarHBondContact O-N 3.14Å; F209-Q212 PolarHBondContact O-N 3.33Å; F209-S213 VanDerWaalsContact O-CB 3.31Å; F209-S213 WeakPolarHBondContact O-CB 3.31Å; F209-S213 PolarHBondContact O-N 2.89Å; F209-S213 PolarHBondContact O-OG 3.35Å; F209-L253 HydrophobicContact CD1-CD1 4.48Å; F209-L253 HydrophobicContact CE1-CD1 3.77Å; F209-L253 HydrophobicContact CE2-CD1 4.22Å; F209-L253 HydrophobicContact CZ-CD1 3.62Å; F209-T257 HydrophobicContact CD1-CG2 4.11Å; F209-T257 HydrophobicContact CE1-CG2 3.8Å; F209-I261 HydrophobicContact CE1-CB 4.18Å; F209-I261 HydrophobicContact CE1-CD1 3.89Å; F209-I261 HydrophobicContact CE1-CG1 4.05Å; F209-I261 HydrophobicContact CZ-CD1 4.04Å; F209-I261 HydrophobicContact CZ-CG1 4.12Å
210	L	98.2	Very high	96.6	Very high	26 Å²	26	38.1 Å²	38.1	14%	0.136	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-41.3	178.6	-68.3	173.7	0	0	0	111.1	E206 Q207 S213 R214 K260 I261 V264	E206-L210 HydrophobicContact CG-CD1 4.05Å; E206-L210 HydrophobicContact CG-CG 4.3Å; E206-L210 VanDerWaalsContact O-CG 3.31Å; E206-L210 WeakPolarHBondContact O-CG 3.18Å; E206-L210 PolarHBondContact O-N 2.92Å; Q207-L210 PolarHBondContact O-N 3.13Å; L210-S213 WeakPolarHBondContact O-CB 3.42Å; L210-S213 PolarHBondContact O-N 3.16Å; L210-R214 PolarHBondContact O-N 2.92Å; L210-K260 HydrophobicContact CD1-CB 3.93Å; L210-K260 HydrophobicContact CD1-CD 4.16Å; L210-K260 HydrophobicContact CD2-CB 4.12Å; L210-I261 HydrophobicContact CD2-CB 4Å; L210-I261 HydrophobicContact CD2-CD1 4.03Å; L210-V264 HydrophobicContact CD2-CG2 4.21Å
211	E	97.7	Very high	96.7	Very high	99 Å²	99	38 Å²	38	46%	0.463	18%	0.181	S	C	.	.	H	α-helix	trans	-65.2	-44.7	177.3	-170.8	57.6	-146.9	0	0	111.9	Q207 S213 R214 E215	Q207-E211 PolarHBondContact O-N 3.48Å; E211-S213 PolarHBondContact O-N 2.92Å; E211-R214 WeakPolarHBondContact O-CB 3.45Å; E211-R214 PolarHBondContact O-N 3.31Å; E211-R214 IonicContact OE2-CZ 3.75Å; E211-R214 IonicContact OE2-NH1 2.92Å; E211-R214 PolarHBondContact OE2-NH1 3.35Å; E211-E215 PolarHBondContact O-N 2.96Å; E211-E215 VanDerWaalsContact O-N 3.08Å
212	Q	97	Very high	96.6	Very high	23 Å²	23	42.6 Å²	42.6	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-36.2	174.7	-166.8	-143.9	46.9	0	0	111.9	L166 P208 F209 F216	L166-Q212 HydrophobicContact CD2-CB 4.43Å; L166-Q212 PolarHBondContact O-NE2 3.05Å; L166-Q212 PolarHBondContact O-OE1 3.13Å; P208-Q212 VanDerWaalsContact O-CB 3.32Å; P208-Q212 WeakPolarHBondContact O-CB 3.44Å; P208-Q212 PolarHBondContact O-N 3.29Å; F209-Q212 PolarHBondContact O-N 3.33Å; Q212-F216 WeakPolarHBondContact O-CB 3.34Å; Q212-F216 PolarHBondContact O-N 3.18Å
213	S	97.7	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-41.5	178.1	-57.2	0	0	0	0	111.7	R173 F209 L210 E211 F216 Y217	R173-S213 PolarHBondContact NH1-OG 3.43Å; R173-S213 PolarHBondContact NH2-OG 2.95Å; F209-S213 VanDerWaalsContact O-CB 3.31Å; F209-S213 WeakPolarHBondContact O-CB 3.31Å; F209-S213 PolarHBondContact O-N 2.89Å; F209-S213 PolarHBondContact O-OG 3.35Å; L210-S213 WeakPolarHBondContact O-CB 3.42Å; L210-S213 PolarHBondContact O-N 3.16Å; E211-S213 PolarHBondContact O-N 2.92Å; S213-F216 PolarHBondContact O-N 3.37Å; S213-Y217 VanDerWaalsContact O-CD2 3.23Å; S213-Y217 WeakPolarHBondContact O-CD2 3.49Å; S213-Y217 PolarHBondContact O-N 2.62Å
214	R	98.3	Very high	96.4	Very high	73 Å²	73	42.7 Å²	42.7	28%	0.275	20%	0.204	S	C	.	.	H	α-helix	trans	-57.3	-50.7	174.5	-171.3	-176.3	-75.7	140.5	-7.9	110.8	L210 E211 F216 Y217 R218 V264 E268	L210-R214 PolarHBondContact O-N 2.92Å; E211-R214 WeakPolarHBondContact O-CB 3.45Å; E211-R214 PolarHBondContact O-N 3.31Å; E211-R214 IonicContact OE2-CZ 3.75Å; E211-R214 IonicContact OE2-NH1 2.92Å; E211-R214 PolarHBondContact OE2-NH1 3.35Å; R214-F216 VanDerWaalsContact C-N 3.35Å; R214-F216 PolarHBondContact O-N 3.17Å; R214-Y217 PolarHBondContact O-N 3.03Å; R214-R218 VanDerWaalsContact O-CB 3.24Å; R214-R218 WeakPolarHBondContact O-CB 3.49Å; R214-R218 PolarHBondContact O-N 3.44Å; R214-V264 HydrophobicContact CB-CG1 3.86Å; R214-V264 HydrophobicContact CG-CG1 4.39Å; R214-E268 HydrophobicContact CG-CG 3.7Å; R214-E268 WeakPolarHBondContact CG-OE1 3.48Å
215	E	97.4	Very high	96.4	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-37.9	179.5	-173.8	59.7	-168.2	0	0	112.9	E211 R218 T219	E211-E215 PolarHBondContact O-N 2.96Å; E211-E215 VanDerWaalsContact O-N 3.08Å; E215-R218 IonicContact OE2-CZ 2.76Å; E215-R218 IonicContact OE2-NH1 3.72Å; E215-R218 PolarHBondContact OE2-NH1 3.29Å; E215-T219 WeakPolarHBondContact O-CB 3.31Å; E215-T219 PolarHBondContact O-N 3.45Å; E215-T219 VanDerWaalsContact O-N 3.1Å; E215-T219 PolarHBondContact O-OG1 3.27Å
216	F	97.4	Very high	96.2	Very high	29 Å²	29	47.7 Å²	47.7	13%	0.127	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-51.4	176.4	179.5	-86.9	0	0	0	111.9	R170 R173 Q212 S213 R214 T219 E220	R170-F216 HydrophobicContact CG-CD2 4.41Å; R173-F216 HydrophobicContact CB-CE1 4.08Å; R173-F216 HydrophobicContact CB-CE2 4.17Å; R173-F216 HydrophobicContact CB-CZ 3.68Å; R173-F216 HydrophobicContact CG-CE1 4.41Å; R173-F216 HydrophobicContact CG-CZ 4.44Å; Q212-F216 WeakPolarHBondContact O-CB 3.34Å; Q212-F216 PolarHBondContact O-N 3.18Å; S213-F216 PolarHBondContact O-N 3.37Å; R214-F216 VanDerWaalsContact C-N 3.35Å; R214-F216 PolarHBondContact O-N 3.17Å; F216-T219 PolarHBondContact O-N 3.49Å; F216-E220 HydrophobicContact CE1-CB 4.5Å; F216-E220 WeakPolarHBondContact O-CB 3.45Å; F216-E220 PolarHBondContact O-N 2.85Å
217	Y	97.8	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-75.1	-27.5	-176.4	-72.9	-59.5	0	0	0	113	S213 R214 S221 R241 E245 L265 L269	S213-Y217 VanDerWaalsContact O-CD2 3.23Å; S213-Y217 WeakPolarHBondContact O-CD2 3.49Å; S213-Y217 PolarHBondContact O-N 2.62Å; R214-Y217 PolarHBondContact O-N 3.03Å; Y217-S221 WeakPolarHBondContact O-CB 3.48Å; Y217-S221 PolarHBondContact O-N 2.89Å; Y217-S221 PolarHBondContact O-OG 3.43Å; Y217-R241 HydrophobicContact CE1-CB 4.08Å; Y217-R241 HydrophobicContact CE1-CG 4.04Å; Y217-E245 PolarHBondContact OH-OE1 2.89Å; Y217-L265 HydrophobicContact CD2-CD1 3.88Å; Y217-L265 HydrophobicContact CD2-CG 3.95Å; Y217-L265 HydrophobicContact CE1-CD2 4.49Å; Y217-L265 HydrophobicContact CE2-CD1 3.56Å; Y217-L265 HydrophobicContact CE2-CD2 4.21Å; Y217-L265 HydrophobicContact CE2-CG 3.83Å; Y217-L265 HydrophobicContact CG-CG 4.43Å; Y217-L269 HydrophobicContact CD1-CD1 3.96Å; Y217-L269 HydrophobicContact CD1-CD2 4.08Å; Y217-L269 HydrophobicContact CD1-CG 4.34Å; Y217-L269 HydrophobicContact CE1-CD1 4.44Å; Y217-L269 HydrophobicContact CG-CD1 4.38Å; Y217-L269 HydrophobicContact CG-CD2 4.33Å; Y217-L269 HydrophobicContact CG-CG 4.43Å
218	R	97.5	Very high	94.7	Very high	54 Å²	54	55.1 Å²	55.1	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-56.5	166	178.5	175.3	-55.3	143.2	-2.4	111.4	R214 E215 E220 S221 E222 E268 R272	R214-R218 VanDerWaalsContact O-CB 3.24Å; R214-R218 WeakPolarHBondContact O-CB 3.49Å; R214-R218 PolarHBondContact O-N 3.44Å; E215-R218 IonicContact OE2-CZ 2.76Å; E215-R218 IonicContact OE2-NH1 3.72Å; E215-R218 PolarHBondContact OE2-NH1 3.29Å; R218-E220 VanDerWaalsContact C-N 3.32Å; R218-E220 PolarHBondContact O-N 2.69Å; R218-S221 PolarHBondContact O-N 3.15Å; R218-S221 PolarHBondContact O-OG 3.4Å; R218-E222 WeakPolarHBondContact O-CG 3.48Å; R218-E222 PolarHBondContact O-N 2.78Å; R218-E222 VanDerWaalsContact O-N 3.12Å; R218-E268 WeakPolarHBondContact CB-OE2 3.48Å; R218-E268 IonicContact CZ-OE1 2.93Å; R218-E268 IonicContact NE-OE1 3.68Å; R218-E268 IonicContact NE-OE2 3.38Å; R218-E268 PolarHBondContact NE-OE2 3Å; R218-E268 IonicContact NH2-OE1 3.19Å; R218-E268 PolarHBondContact NH2-OE1 3.37Å; R218-E268 IonicContact NH2-OE2 2.71Å; R218-R272 VanDerWaalsContact CG-NH1 3.34Å
219	T	96.3	Very high	93.7	Very high	58 Å²	58	54.4 Å²	54.4	36%	0.356	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-40	-179.1	-55.2	0	0	0	0	111.4	E215 F216 N223	E215-T219 WeakPolarHBondContact O-CB 3.31Å; E215-T219 PolarHBondContact O-N 3.45Å; E215-T219 VanDerWaalsContact O-N 3.1Å; E215-T219 PolarHBondContact O-OG1 3.27Å; F216-T219 PolarHBondContact O-N 3.49Å; T219-N223 WeakPolarHBondContact CG2-ND2 3.29Å; T219-N223 WeakPolarHBondContact O-CB 3.13Å; T219-N223 PolarHBondContact O-N 3.03Å; T219-N223 VanDerWaalsContact O-N 3.12Å; T219-N223 PolarHBondContact O-ND2 3.15Å
220	E	95	Very high	93.4	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.178	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-45.6	179.1	-177.6	168	-118.6	0	0	112	F216 R218 F224 R241	F216-E220 HydrophobicContact CE1-CB 4.5Å; F216-E220 WeakPolarHBondContact O-CB 3.45Å; F216-E220 PolarHBondContact O-N 2.85Å; R218-E220 VanDerWaalsContact C-N 3.32Å; R218-E220 PolarHBondContact O-N 2.69Å; E220-F224 VanDerWaalsContact O-CB 3.28Å; E220-F224 WeakPolarHBondContact O-CB 3.24Å; E220-F224 PolarHBondContact O-N 3.04Å; E220-R241 IonicContact OE1-CZ 3.77Å; E220-R241 IonicContact OE1-NE 3.87Å; E220-R241 PolarHBondContact OE1-NE 3.32Å; E220-R241 IonicContact OE1-NH2 2.65Å; E220-R241 PolarHBondContact OE1-NH2 2.98Å; E220-R241 IonicContact OE2-CZ 2.76Å; E220-R241 IonicContact OE2-NE 2.74Å; E220-R241 PolarHBondContact OE2-NE 3.39Å; E220-R241 IonicContact OE2-NH2 2.85Å
221	S	95	Very high	93.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-43.3	-179.8	55.6	0	0	0	0	112.6	Y217 R218 F224 L225 Y234 E268 H273	Y217-S221 WeakPolarHBondContact O-CB 3.48Å; Y217-S221 PolarHBondContact O-N 2.89Å; Y217-S221 PolarHBondContact O-OG 3.43Å; R218-S221 PolarHBondContact O-N 3.15Å; R218-S221 PolarHBondContact O-OG 3.4Å; S221-F224 PolarHBondContact O-N 3.36Å; S221-L225 WeakPolarHBondContact O-CG 3.5Å; S221-L225 PolarHBondContact O-N 3.36Å; S221-Y234 WeakPolarHBondContact CB-OH 3.21Å; S221-E268 PolarHBondContact OG-O 2.92Å; S221-H273 VanDerWaalsContact CB-NE2 3.3Å; S221-H273 WeakPolarHBondContact CB-NE2 3.12Å; S221-H273 PolarHBondContact OG-NE2 2.9Å
222	E	95.2	Very high	93	Very high	97 Å²	97	52 Å²	52	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-46.1	177.5	-71.8	171.7	-175.6	0	0	111.7	R218 L225 A226	R218-E222 WeakPolarHBondContact O-CG 3.48Å; R218-E222 PolarHBondContact O-N 2.78Å; R218-E222 VanDerWaalsContact O-N 3.12Å; E222-L225 PolarHBondContact O-N 3.1Å; E222-A226 WeakPolarHBondContact O-CB 3.31Å; E222-A226 PolarHBondContact O-N 3.4Å
223	N	94.5	Very high	92.9	Very high	90 Å²	90	55.5 Å²	55.5	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-44.5	177.4	-71.3	-27.8	0	0	0	111.8	T219 L225 A226 E227	T219-N223 WeakPolarHBondContact CG2-ND2 3.29Å; T219-N223 WeakPolarHBondContact O-CB 3.13Å; T219-N223 PolarHBondContact O-N 3.03Å; T219-N223 VanDerWaalsContact O-N 3.12Å; T219-N223 PolarHBondContact O-ND2 3.15Å; N223-L225 VanDerWaalsContact C-N 3.3Å; N223-L225 PolarHBondContact O-N 3.39Å; N223-A226 PolarHBondContact O-N 3.27Å; N223-E227 WeakPolarHBondContact O-CG 3.43Å; N223-E227 PolarHBondContact O-N 3.02Å; N223-E227 VanDerWaalsContact O-N 3.14Å
224	F	92.8	Very high	92.8	Very high	43 Å²	43	55.8 Å²	55.8	19%	0.189	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-34.4	-177.5	-163.7	-85.5	0	0	0	112.2	E220 S221 T229 Y234 K237	E220-F224 VanDerWaalsContact O-CB 3.28Å; E220-F224 WeakPolarHBondContact O-CB 3.24Å; E220-F224 PolarHBondContact O-N 3.04Å; S221-F224 PolarHBondContact O-N 3.36Å; F224-T229 HydrophobicContact CD1-CG2 3.97Å; F224-T229 HydrophobicContact CE1-CG2 3.24Å; F224-T229 HydrophobicContact CZ-CG2 3.61Å; F224-T229 WeakPolarHBondContact O-CB 3.48Å; F224-T229 PolarHBondContact O-OG1 2.97Å; F224-Y234 AromaticContact CD1-CD2 3.67Å; F224-Y234 HydrophobicContact CD1-CD2 3.67Å; F224-Y234 HydrophobicContact CD1-CE2 4.42Å; F224-Y234 HydrophobicContact CD1-CG 4.47Å; F224-Y234 HydrophobicContact CE1-CD2 4.19Å; F224-K237 HydrophobicContact CD2-CG 4.39Å; F224-K237 HydrophobicContact CE1-CB 4.36Å; F224-K237 HydrophobicContact CE2-CB 4.36Å; F224-K237 HydrophobicContact CE2-CD 4.37Å; F224-K237 HydrophobicContact CE2-CG 4.03Å; F224-K237 HydrophobicContact CZ-CB 3.99Å; F224-K237 HydrophobicContact CZ-CG 4.16Å
225	L	91.9	Very high	92.7	Very high	33 Å²	33	52.5 Å²	52.5	17%	0.173	28%	0.28	C	S	.	.	H	α-helix	trans	-73.7	-37.4	173.8	-70.2	171.5	0	0	0	112.1	S221 E222 N223 E227 N228 Y234 H273	S221-L225 WeakPolarHBondContact O-CG 3.5Å; S221-L225 PolarHBondContact O-N 3.36Å; E222-L225 PolarHBondContact O-N 3.1Å; N223-L225 VanDerWaalsContact C-N 3.3Å; N223-L225 PolarHBondContact O-N 3.39Å; L225-E227 PolarHBondContact O-N 3.07Å; L225-N228 PolarHBondContact O-N 3.48Å; L225-Y234 HydrophobicContact CD1-CE2 4.07Å; L225-Y234 HydrophobicContact CD2-CD2 3.52Å; L225-Y234 HydrophobicContact CD2-CE2 3.8Å; L225-Y234 HydrophobicContact CD2-CG 4.23Å; L225-Y234 HydrophobicContact CG-CD2 3.88Å; L225-Y234 HydrophobicContact CG-CE2 3.69Å; L225-H273 HydrophobicContact CD1-CB 4.04Å; L225-H273 WeakPolarHBondContact CD1-ND1 3.47Å
226	A	92	Very high	92.6	Very high	74 Å²	74	55 Å²	55	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-64.8	-26.4	177.9	0	0	0	0	0	113.5	E222 N223 N228	E222-A226 WeakPolarHBondContact O-CB 3.31Å; E222-A226 PolarHBondContact O-N 3.4Å; N223-A226 PolarHBondContact O-N 3.27Å; A226-N228 PolarHBondContact O-N 3.07Å; A226-N228 VanDerWaalsContact O-N 3.09Å
227	E	90	Very high	92.4	Very high	141 Å²	141	56 Å²	56	66%	0.659	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	9.1	176.5	-72.4	175.9	-175.4	0	0	114.2	N223 L225	N223-E227 WeakPolarHBondContact O-CG 3.43Å; N223-E227 PolarHBondContact O-N 3.02Å; N223-E227 VanDerWaalsContact O-N 3.14Å; L225-E227 PolarHBondContact O-N 3.07Å
228	N	72.6	Confident	92.4	Very high	152 Å²	152	56.2 Å²	56.2	81%	0.813	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	41.8	-176.6	-61.1	-77.1	0	0	0	113.3	L225 A226	L225-N228 PolarHBondContact O-N 3.48Å; A226-N228 PolarHBondContact O-N 3.07Å; A226-N228 VanDerWaalsContact O-N 3.09Å
229	T	75.9	Confident	92.3	Very high	18 Å²	18	57.8 Å²	57.8	11%	0.11	30%	0.304	C	S	.	.			trans	-82.8	137.3	-175.8	-46.2	0	0	0	0	112	F224 L233 M280	F224-T229 HydrophobicContact CD1-CG2 3.97Å; F224-T229 HydrophobicContact CE1-CG2 3.24Å; F224-T229 HydrophobicContact CZ-CG2 3.61Å; F224-T229 WeakPolarHBondContact O-CB 3.48Å; F224-T229 PolarHBondContact O-OG1 2.97Å; T229-L233 HydrophobicContact CG2-CB 3.65Å; T229-L233 HydrophobicContact CG2-CD1 3.9Å; T229-L233 HydrophobicContact CG2-CG 4.45Å; T229-M280 VanDerWaalsContact O-CE 3.25Å; T229-M280 WeakPolarHBondContact O-CE 3.45Å
230	S	91.9	Very high	92.3	Very high	37 Å²	37	59 Å²	59	26%	0.259	31%	0.306	S	S	.	.			trans	-60.4	150.1	178.6	70.1	0	0	0	0	113.1	S232 L233 Y234 S283	S230-S232 VanDerWaalsContact C-N 3.32Å; S230-S232 PolarHBondContact O-N 3.33Å; S230-L233 PolarHBondContact O-N 3.41Å; S230-L233 VanDerWaalsContact O-N 3.13Å; S230-L233 WeakPolarHBondContact OG-CB 3.25Å; S230-L233 WeakPolarHBondContact OG-CD1 3.49Å; S230-L233 VanDerWaalsContact OG-CG 3.24Å; S230-L233 WeakPolarHBondContact OG-CG 3.38Å; S230-L233 PolarHBondContact OG-N 3.05Å; S230-Y234 PolarHBondContact O-N 3.34Å; S230-S283 WeakPolarHBondContact CA-OG 3.47Å
231	A	94.2	Very high	92.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-54.1	-44.2	175.9	0	0	0	0	0	112.8	L233 Y234 I235 I277 M280 S283 M288 M300	A231-L233 VanDerWaalsContact C-N 3.32Å; A231-L233 PolarHBondContact O-N 3.04Å; A231-Y234 WeakPolarHBondContact O-CB 3.35Å; A231-Y234 PolarHBondContact O-N 2.93Å; A231-Y234 VanDerWaalsContact O-N 3.16Å; A231-I235 VanDerWaalsContact O-CG1 3.31Å; A231-I235 WeakPolarHBondContact O-CG1 3.02Å; A231-I235 PolarHBondContact O-N 3.42Å; A231-I277 HydrophobicContact CB-CG2 3.9Å; A231-M280 HydrophobicContact CB-SD 3.88Å; A231-S283 WeakPolarHBondContact CB-O 3.44Å; A231-S283 PolarHBondContact N-OG 2.87Å; A231-M288 HydrophobicContact CB-CE 3.96Å; A231-M300 HydrophobicContact CB-CE 4.04Å
232	S	93.4	Very high	92.5	Very high	37 Å²	37	58.5 Å²	58.5	26%	0.259	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-39.5	179.7	-53.5	0	0	0	0	112.8	S230 K236 M288 D296	S230-S232 VanDerWaalsContact C-N 3.32Å; S230-S232 PolarHBondContact O-N 3.33Å; S232-K236 WeakPolarHBondContact O-CB 3.45Å; S232-K236 PolarHBondContact O-N 2.95Å; S232-M288 VanDerWaalsContact OG-CE 3.29Å; S232-M288 WeakPolarHBondContact OG-CE 3.5Å; S232-D296 PolarHBondContact OG-OD2 3.28Å; S232-D296 VanDerWaalsContact OG-OD2 3.14Å
233	L	94	Very high	92.6	Very high	98 Å²	98	58.8 Å²	58.8	51%	0.513	30%	0.304	S	S	.	.	H	α-helix	trans	-69.2	-39.6	175.9	-71.9	175.6	0	0	0	111.8	T229 S230 A231 K236 K237	T229-L233 HydrophobicContact CG2-CB 3.65Å; T229-L233 HydrophobicContact CG2-CD1 3.9Å; T229-L233 HydrophobicContact CG2-CG 4.45Å; S230-L233 PolarHBondContact O-N 3.41Å; S230-L233 VanDerWaalsContact O-N 3.13Å; S230-L233 WeakPolarHBondContact OG-CB 3.25Å; S230-L233 WeakPolarHBondContact OG-CD1 3.49Å; S230-L233 VanDerWaalsContact OG-CG 3.24Å; S230-L233 WeakPolarHBondContact OG-CG 3.38Å; S230-L233 PolarHBondContact OG-N 3.05Å; A231-L233 VanDerWaalsContact C-N 3.32Å; A231-L233 PolarHBondContact O-N 3.04Å; L233-K236 PolarHBondContact O-N 3.35Å; L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 3.45Å
234	Y	95.6	Very high	92.7	Very high	6 Å²	6	56.3 Å²	56.3	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-50.4	174.5	-174	-81.7	0	0	0	110.9	S221 F224 L225 S230 A231 K236 K237 V238 L269 H273 I277	S221-Y234 WeakPolarHBondContact CB-OH 3.21Å; F224-Y234 AromaticContact CD1-CD2 3.67Å; F224-Y234 HydrophobicContact CD1-CD2 3.67Å; F224-Y234 HydrophobicContact CD1-CE2 4.42Å; F224-Y234 HydrophobicContact CD1-CG 4.47Å; F224-Y234 HydrophobicContact CE1-CD2 4.19Å; L225-Y234 HydrophobicContact CD1-CE2 4.07Å; L225-Y234 HydrophobicContact CD2-CD2 3.52Å; L225-Y234 HydrophobicContact CD2-CE2 3.8Å; L225-Y234 HydrophobicContact CD2-CG 4.23Å; L225-Y234 HydrophobicContact CG-CD2 3.88Å; L225-Y234 HydrophobicContact CG-CE2 3.69Å; S230-Y234 PolarHBondContact O-N 3.34Å; A231-Y234 WeakPolarHBondContact O-CB 3.35Å; A231-Y234 PolarHBondContact O-N 2.93Å; A231-Y234 VanDerWaalsContact O-N 3.16Å; Y234-K236 VanDerWaalsContact C-N 3.33Å; Y234-K236 PolarHBondContact O-N 2.93Å; Y234-K237 WeakPolarHBondContact O-CA 3.34Å; Y234-K237 WeakPolarHBondContact O-CB 3.35Å; Y234-K237 PolarHBondContact O-N 3.26Å; Y234-V238 HydrophobicContact CD1-CG2 3.74Å; Y234-V238 HydrophobicContact CE1-CG2 3.31Å; Y234-V238 WeakPolarHBondContact O-CG2 3.32Å; Y234-V238 PolarHBondContact O-N 3.22Å; Y234-L269 WeakPolarHBondContact CE1-O 3.38Å; Y234-L269 PolarHBondContact OH-O 2.96Å; Y234-H273 PolarHBondContact OH-CD2 3.14Å; Y234-H273 VanDerWaalsContact OH-CD2 3.27Å; Y234-I277 HydrophobicContact CD1-CD1 3.37Å; Y234-I277 HydrophobicContact CD1-CG1 3.89Å; Y234-I277 HydrophobicContact CE1-CD1 3.18Å; Y234-I277 HydrophobicContact CE1-CG1 4.07Å; Y234-I277 HydrophobicContact CG-CD1 4.28Å; Y234-I277 HydrophobicContact CG-CG1 4.36Å
235	I	95.9	Very high	92.9	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-54.8	-48.3	177.4	-69.3	-60.1	0	0	0	111	A231 K237 V238 E239 I277 A299 M300 V303	A231-I235 VanDerWaalsContact O-CG1 3.31Å; A231-I235 WeakPolarHBondContact O-CG1 3.02Å; A231-I235 PolarHBondContact O-N 3.42Å; I235-K237 VanDerWaalsContact C-N 3.29Å; I235-K237 PolarHBondContact O-N 3.35Å; I235-V238 PolarHBondContact O-N 2.99Å; I235-E239 PolarHBondContact O-N 3.09Å; I235-I277 HydrophobicContact CD1-CG2 4.16Å; I235-I277 HydrophobicContact CG1-CG2 4.36Å; I235-A299 HydrophobicContact CG2-CB 3.9Å; I235-M300 HydrophobicContact CD1-CB 4.43Å; I235-M300 HydrophobicContact CD1-CG 4.27Å; I235-M300 HydrophobicContact CG1-CB 4.28Å; I235-M300 HydrophobicContact CG1-CG 4.48Å; I235-V303 HydrophobicContact CD1-CB 4.11Å; I235-V303 HydrophobicContact CD1-CG1 4.13Å; I235-V303 HydrophobicContact CG2-CB 4.38Å; I235-V303 HydrophobicContact CG2-CG2 3.77Å
236	K	95.3	Very high	93.1	Very high	144 Å²	144	54.9 Å²	54.9	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-60.7	-38.3	177	-173.6	175.8	-178.2	178	0	112.5	S232 L233 Y234 Q240	S232-K236 WeakPolarHBondContact O-CB 3.45Å; S232-K236 PolarHBondContact O-N 2.95Å; L233-K236 PolarHBondContact O-N 3.35Å; Y234-K236 VanDerWaalsContact C-N 3.33Å; Y234-K236 PolarHBondContact O-N 2.93Å; K236-Q240 WeakPolarHBondContact O-CB 3.09Å; K236-Q240 PolarHBondContact O-N 3.46Å
237	K	94.7	Very high	93.3	Very high	50 Å²	50	56.7 Å²	56.7	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-40.7	177.1	-174.5	62.9	175.6	179.8	0	111.4	F224 L233 Y234 I235 Q240 R241	F224-K237 HydrophobicContact CD2-CG 4.39Å; F224-K237 HydrophobicContact CE1-CB 4.36Å; F224-K237 HydrophobicContact CE2-CB 4.36Å; F224-K237 HydrophobicContact CE2-CD 4.37Å; F224-K237 HydrophobicContact CE2-CG 4.03Å; F224-K237 HydrophobicContact CZ-CB 3.99Å; F224-K237 HydrophobicContact CZ-CG 4.16Å; L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 3.45Å; Y234-K237 WeakPolarHBondContact O-CA 3.34Å; Y234-K237 WeakPolarHBondContact O-CB 3.35Å; Y234-K237 PolarHBondContact O-N 3.26Å; I235-K237 VanDerWaalsContact C-N 3.29Å; I235-K237 PolarHBondContact O-N 3.35Å; K237-Q240 PolarHBondContact O-N 2.88Å; K237-R241 WeakPolarHBondContact O-CG 3.33Å; K237-R241 PolarHBondContact O-N 3.39Å
238	V	96.7	Very high	93.5	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-48.8	175.4	175.4	0	0	0	0	111.2	Y234 I235 Q240 R241 I242 L269 I270 V303	Y234-V238 HydrophobicContact CD1-CG2 3.74Å; Y234-V238 HydrophobicContact CE1-CG2 3.31Å; Y234-V238 WeakPolarHBondContact O-CG2 3.32Å; Y234-V238 PolarHBondContact O-N 3.22Å; I235-V238 PolarHBondContact O-N 2.99Å; V238-Q240 VanDerWaalsContact C-N 3.3Å; V238-Q240 PolarHBondContact O-N 2.97Å; V238-R241 PolarHBondContact O-N 3.35Å; V238-I242 HydrophobicContact CG1-CD1 3.8Å; V238-I242 HydrophobicContact CG1-CG1 4.4Å; V238-I242 WeakPolarHBondContact O-CG1 3.24Å; V238-I242 PolarHBondContact O-N 2.93Å; V238-L269 HydrophobicContact CG1-CB 4.2Å; V238-L269 HydrophobicContact CG1-CD1 4.5Å; V238-L269 HydrophobicContact CG2-CB 4Å; V238-I270 HydrophobicContact CG1-CD1 4.13Å; V238-I270 HydrophobicContact CG1-CG1 3.86Å; V238-V303 HydrophobicContact CB-CG1 4.33Å; V238-V303 HydrophobicContact CG1-CG1 3.77Å
239	E	96.4	Very high	94.5	Very high	87 Å²	87	43.8 Å²	43.8	41%	0.407	21%	0.211	S	C	.	.	H	α-helix	trans	-56.3	-46.8	177.2	-69	-178.8	138.6	0	0	111.6	I235 R241 I242 E243 V303	I235-E239 PolarHBondContact O-N 3.09Å; E239-R241 PolarHBondContact O-N 2.83Å; E239-I242 PolarHBondContact O-N 2.94Å; E239-E243 PolarHBondContact O-N 2.79Å; E239-V303 HydrophobicContact CG-CG2 3.36Å
240	Q	96.2	Very high	95.4	Very high	84 Å²	84	49.9 Å²	49.9	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-47.3	177.3	-179.2	-175.2	3	0	0	111.7	K236 K237 V238 E243 E244	K236-Q240 WeakPolarHBondContact O-CB 3.09Å; K236-Q240 PolarHBondContact O-N 3.46Å; K237-Q240 PolarHBondContact O-N 2.88Å; V238-Q240 VanDerWaalsContact C-N 3.3Å; V238-Q240 PolarHBondContact O-N 2.97Å; Q240-E243 PolarHBondContact O-N 3.39Å; Q240-E244 HydrophobicContact CG-CG 4.41Å; Q240-E244 VanDerWaalsContact CG-OE1 3.32Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.47Å; Q240-E244 PolarHBondContact NE2-OE1 2.89Å; Q240-E244 WeakPolarHBondContact O-CB 3.29Å; Q240-E244 VanDerWaalsContact O-CG 3.3Å; Q240-E244 WeakPolarHBondContact O-CG 3.33Å; Q240-E244 PolarHBondContact O-N 3.18Å
241	R	96.6	Very high	95.3	Very high	20 Å²	20	52.6 Å²	52.6	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-178.9	-72.4	-54	-164.3	-168	2.2	112.2	R173 Y217 E220 K237 V238 E239 E244 E245 L265 L269	R173-R241 PolarHBondContact O-NH1 3.45Å; R173-R241 VanDerWaalsContact O-NH1 3.09Å; R173-R241 PolarHBondContact O-NH2 3.31Å; Y217-R241 HydrophobicContact CE1-CB 4.08Å; Y217-R241 HydrophobicContact CE1-CG 4.04Å; E220-R241 IonicContact OE1-CZ 3.77Å; E220-R241 IonicContact OE1-NE 3.87Å; E220-R241 PolarHBondContact OE1-NE 3.32Å; E220-R241 IonicContact OE1-NH2 2.65Å; E220-R241 PolarHBondContact OE1-NH2 2.98Å; E220-R241 IonicContact OE2-CZ 2.76Å; E220-R241 IonicContact OE2-NE 2.74Å; E220-R241 PolarHBondContact OE2-NE 3.39Å; E220-R241 IonicContact OE2-NH2 2.85Å; K237-R241 WeakPolarHBondContact O-CG 3.33Å; K237-R241 PolarHBondContact O-N 3.39Å; V238-R241 PolarHBondContact O-N 3.35Å; E239-R241 PolarHBondContact O-N 2.83Å; R241-E244 WeakPolarHBondContact CD-OE2 3.47Å; R241-E244 IonicContact CZ-OE2 3.13Å; R241-E244 IonicContact NH1-OE2 2.76Å; R241-E244 PolarHBondContact NH1-OE2 3.5Å; R241-E244 PolarHBondContact O-N 3.11Å; R241-E245 VanDerWaalsContact O-CB 3.29Å; R241-E245 WeakPolarHBondContact O-CB 3.48Å; R241-E245 PolarHBondContact O-N 3.5Å; R241-L265 HydrophobicContact CB-CD2 4.22Å; R241-L269 HydrophobicContact CB-CD1 4.08Å
242	I	97.2	Very high	95.1	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-47.3	174.8	-67.5	171	0	0	0	110.5	V238 E239 E245 V246 L265 I270	V238-I242 HydrophobicContact CG1-CD1 3.8Å; V238-I242 HydrophobicContact CG1-CG1 4.4Å; V238-I242 WeakPolarHBondContact O-CG1 3.24Å; V238-I242 PolarHBondContact O-N 2.93Å; E239-I242 PolarHBondContact O-N 2.94Å; I242-E245 PolarHBondContact O-N 3.35Å; I242-V246 HydrophobicContact CG2-CG2 4.39Å; I242-V246 WeakPolarHBondContact O-CG2 3.44Å; I242-V246 PolarHBondContact O-N 3.31Å; I242-L265 HydrophobicContact CB-CD2 4.42Å; I242-L265 HydrophobicContact CG1-CB 4.27Å; I242-L265 HydrophobicContact CG1-CD2 3.85Å; I242-I270 HydrophobicContact CD1-CD1 4.27Å
243	E	96.9	Very high	95.1	Very high	103 Å²	103	52.3 Å²	52.3	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-43.1	179.5	-167.1	-162.7	153	0	0	112.3	E239 Q240 E245 R247	E239-E243 PolarHBondContact O-N 2.79Å; Q240-E243 PolarHBondContact O-N 3.39Å; E243-E245 VanDerWaalsContact C-N 3.28Å; E243-E245 PolarHBondContact O-N 3.14Å; E243-R247 WeakPolarHBondContact O-CB 3.39Å; E243-R247 WeakPolarHBondContact O-CG 3.33Å; E243-R247 PolarHBondContact O-N 2.76Å; E243-R247 PolarHBondContact O-NE 3.14Å; E243-R247 IonicContact OE1-CZ 2.88Å; E243-R247 IonicContact OE1-NE 3.61Å; E243-R247 IonicContact OE1-NH1 3.53Å; E243-R247 PolarHBondContact OE1-NH1 3.48Å; E243-R247 IonicContact OE1-NH2 3.71Å; E243-R247 PolarHBondContact OE1-NH2 3.03Å
244	E	96.3	Very high	95.2	Very high	38 Å²	38	49.1 Å²	49.1	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-42	174.6	-75.6	174	-173.7	0	0	111.8	Q240 R241 R248	Q240-E244 HydrophobicContact CG-CG 4.41Å; Q240-E244 VanDerWaalsContact CG-OE1 3.32Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.47Å; Q240-E244 PolarHBondContact NE2-OE1 2.89Å; Q240-E244 WeakPolarHBondContact O-CB 3.29Å; Q240-E244 VanDerWaalsContact O-CG 3.3Å; Q240-E244 WeakPolarHBondContact O-CG 3.33Å; Q240-E244 PolarHBondContact O-N 3.18Å; R241-E244 WeakPolarHBondContact CD-OE2 3.47Å; R241-E244 IonicContact CZ-OE2 3.13Å; R241-E244 IonicContact NH1-OE2 2.76Å; R241-E244 PolarHBondContact NH1-OE2 3.5Å; R241-E244 PolarHBondContact O-N 3.11Å; E244-R248 WeakPolarHBondContact O-CB 3.41Å; E244-R248 PolarHBondContact O-N 3.43Å
245	E	96.4	Very high	95.2	Very high	2 Å²	2	54 Å²	54	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-78.2	-37.2	-174.8	-156.4	59.2	92.9	0	0	113.2	R173 Y217 R241 I242 E243 R247 R248 A249 I261 L265	R173-E245 IonicContact CZ-OE1 2.58Å; R173-E245 VanDerWaalsContact CZ-OE1 3.24Å; R173-E245 IonicContact NE-OE1 3.93Å; R173-E245 PolarHBondContact NE-OE1 3.44Å; R173-E245 IonicContact NH2-OE1 3.76Å; R173-E245 PolarHBondContact NH2-OE1 3.5Å; R173-E245 IonicContact NH2-OE2 2.66Å; Y217-E245 PolarHBondContact OH-OE1 2.89Å; R241-E245 VanDerWaalsContact O-CB 3.29Å; R241-E245 WeakPolarHBondContact O-CB 3.48Å; R241-E245 PolarHBondContact O-N 3.5Å; I242-E245 PolarHBondContact O-N 3.35Å; E243-E245 VanDerWaalsContact C-N 3.28Å; E243-E245 PolarHBondContact O-N 3.14Å; E245-R247 VanDerWaalsContact C-N 3.34Å; E245-R248 PolarHBondContact O-N 3.28Å; E245-R248 IonicContact OE1-NH1 3.94Å; E245-R248 PolarHBondContact OE1-NH1 2.86Å; E245-R248 WeakPolarHBondContact OE2-CB 3.39Å; E245-R248 VanDerWaalsContact OE2-CD 3.22Å; E245-R248 WeakPolarHBondContact OE2-CD 3.35Å; E245-R248 IonicContact OE2-CZ 3.82Å; E245-R248 IonicContact OE2-NE 3.62Å; E245-R248 IonicContact OE2-NH1 3.67Å; E245-R248 PolarHBondContact OE2-NH1 3.08Å; E245-A249 WeakPolarHBondContact O-CB 3.34Å; E245-A249 PolarHBondContact O-N 2.85Å; E245-I261 HydrophobicContact CG-CD1 4.28Å; E245-I261 HydrophobicContact CG-CG1 3.4Å; E245-I261 HydrophobicContact CG-CG2 4.3Å; E245-L265 HydrophobicContact CB-CD1 4.28Å; E245-L265 HydrophobicContact CB-CD2 3.98Å; E245-L265 HydrophobicContact CG-CD1 3.85Å; E245-L265 HydrophobicContact CG-CD2 4.42Å
246	V	97.1	Very high	95.1	Very high	44 Å²	44	55.5 Å²	55.5	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-46.2	169.3	169.3	0	0	0	0	110.4	I242 R248 A249 H250 E258 V262	I242-V246 HydrophobicContact CG2-CG2 4.39Å; I242-V246 WeakPolarHBondContact O-CG2 3.44Å; I242-V246 PolarHBondContact O-N 3.31Å; V246-R248 VanDerWaalsContact C-N 3.31Å; V246-R248 PolarHBondContact O-N 3.2Å; V246-A249 PolarHBondContact O-N 2.84Å; V246-H250 WeakPolarHBondContact O-CB 3.39Å; V246-H250 PolarHBondContact O-N 2.92Å; V246-E258 HydrophobicContact CG1-CG 4.48Å; V246-V262 HydrophobicContact CG2-CG2 3.71Å
247	R	95.5	Very high	95.2	Very high	112 Å²	112	48.7 Å²	48.7	42%	0.423	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-40.5	175.6	-75.6	-172.9	-63.4	-149.6	-6.1	111.8	E243 E245 H250 H251	E243-R247 WeakPolarHBondContact O-CB 3.39Å; E243-R247 WeakPolarHBondContact O-CG 3.33Å; E243-R247 PolarHBondContact O-N 2.76Å; E243-R247 PolarHBondContact O-NE 3.14Å; E243-R247 IonicContact OE1-CZ 2.88Å; E243-R247 IonicContact OE1-NE 3.61Å; E243-R247 IonicContact OE1-NH1 3.53Å; E243-R247 PolarHBondContact OE1-NH1 3.48Å; E243-R247 IonicContact OE1-NH2 3.71Å; E243-R247 PolarHBondContact OE1-NH2 3.03Å; E245-R247 VanDerWaalsContact C-N 3.34Å; R247-H250 PolarHBondContact O-N 3.45Å; R247-H251 PolarHBondContact O-N 3.12Å; R247-H251 VanDerWaalsContact O-N 3.11Å; R247-H251 PolarHBondContact O-ND1 3.01Å
248	R	94.1	Very high	95.3	Very high	18 Å²	18	49.6 Å²	49.6	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-44.9	178.9	-173.1	175.9	-61.2	98.2	2.4	111.6	E172 E244 E245 V246 H250 H251 H252	E172-R248 VanDerWaalsContact OE2-CD 3.3Å; E172-R248 WeakPolarHBondContact OE2-CD 3.4Å; E172-R248 IonicContact OE2-CZ 3.35Å; E172-R248 IonicContact OE2-NE 2.71Å; E172-R248 PolarHBondContact OE2-NE 3.32Å; E244-R248 WeakPolarHBondContact O-CB 3.41Å; E244-R248 PolarHBondContact O-N 3.43Å; E245-R248 PolarHBondContact O-N 3.28Å; E245-R248 IonicContact OE1-NH1 3.94Å; E245-R248 PolarHBondContact OE1-NH1 2.86Å; E245-R248 WeakPolarHBondContact OE2-CB 3.39Å; E245-R248 VanDerWaalsContact OE2-CD 3.22Å; E245-R248 WeakPolarHBondContact OE2-CD 3.35Å; E245-R248 IonicContact OE2-CZ 3.82Å; E245-R248 IonicContact OE2-NE 3.62Å; E245-R248 IonicContact OE2-NH1 3.67Å; E245-R248 PolarHBondContact OE2-NH1 3.08Å; V246-R248 VanDerWaalsContact C-N 3.31Å; V246-R248 PolarHBondContact O-N 3.2Å; R248-H250 VanDerWaalsContact C-N 3.33Å; R248-H250 PolarHBondContact O-N 3.13Å; R248-H251 PolarHBondContact O-N 3.3Å; R248-H252 PolarHBondContact O-N 2.99Å
249	A	95.1	Very high	95.3	Very high	3 Å²	3	53.1 Å²	53.1	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-56.5	-48.9	174.9	0	0	0	0	0	110.9	E245 V246 H251 L253 E258 I261	E245-A249 WeakPolarHBondContact O-CB 3.34Å; E245-A249 PolarHBondContact O-N 2.85Å; V246-A249 PolarHBondContact O-N 2.84Å; A249-H251 PolarHBondContact O-N 3.36Å; A249-L253 HydrophobicContact CB-CD1 4.23Å; A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 PolarHBondContact O-N 3.45Å; A249-E258 HydrophobicContact CB-CB 3.92Å; A249-E258 HydrophobicContact CB-CG 4.18Å; A249-I261 HydrophobicContact CB-CG2 4.35Å
250	H	94.1	Very high	95.4	Very high	146 Å²	146	52.5 Å²	52.5	68%	0.676	26%	0.263	S	S	*	.	H	α-helix	trans	-61.6	-37.6	-179.6	-170.1	76.3	0	0	0	114.2	V246 R247 R248	V246-H250 WeakPolarHBondContact O-CB 3.39Å; V246-H250 PolarHBondContact O-N 2.92Å; R247-H250 PolarHBondContact O-N 3.45Å; R248-H250 VanDerWaalsContact C-N 3.33Å; R248-H250 PolarHBondContact O-N 3.13Å
251	H	90.6	Very high	95.5	Very high	95 Å²	95	48.5 Å²	48.5	44%	0.44	24%	0.244	S	C	.	.	H	α-helix	trans	-80.3	-29.9	-175.4	-75.2	96	0	0	0	114.2	R247 R248 A249	R247-H251 PolarHBondContact O-N 3.12Å; R247-H251 VanDerWaalsContact O-N 3.11Å; R247-H251 PolarHBondContact O-ND1 3.01Å; R248-H251 PolarHBondContact O-N 3.3Å; A249-H251 PolarHBondContact O-N 3.36Å
252	H	88.7	Confident	95.6	Very high	11 Å²	11	48.7 Å²	48.7	5%	0.051	25%	0.247	C	C	.	.	H	α-helix	trans	-131.8	-19	-166.4	-51.2	-38.9	0	0	0	115.6	R180 I183 R184 R248	R180-H252 WeakPolarHBondContact CB-CE1 3.22Å; R180-H252 WeakPolarHBondContact CB-NE2 3.43Å; R180-H252 WeakPolarHBondContact CD-NE2 3.12Å; R180-H252 VanDerWaalsContact CG-CE1 3.45Å; R180-H252 WeakPolarHBondContact CG-CE1 3.36Å; R180-H252 WeakPolarHBondContact CG-NE2 3.48Å; R180-H252 PolarHBondContact O-ND1 3.49Å; I183-H252 HydrophobicContact CB-CB 4.33Å; I183-H252 HydrophobicContact CG2-CB 3.98Å; R184-H252 HydrophobicContact CB-CB 4.36Å; R248-H252 PolarHBondContact O-N 2.99Å
253	L	94.4	Very high	95.6	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.099	27%	0.268	C	S	.	.	S	Bend	trans	-106.7	167	-170.3	-51.2	-172	0	0	0	111.4	I183 F205 F209 A249 T257	I183-L253 HydrophobicContact CG2-CD2 4.41Å; F205-L253 HydrophobicContact CE1-CD2 3.75Å; F205-L253 HydrophobicContact CZ-CD2 3.93Å; F209-L253 HydrophobicContact CD1-CD1 4.48Å; F209-L253 HydrophobicContact CE1-CD1 3.77Å; F209-L253 HydrophobicContact CE2-CD1 4.22Å; F209-L253 HydrophobicContact CZ-CD1 3.62Å; A249-L253 HydrophobicContact CB-CD1 4.23Å; A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 PolarHBondContact O-N 3.45Å; L253-T257 HydrophobicContact CB-CG2 4.5Å; L253-T257 HydrophobicContact CD1-CG2 3.78Å
254	D	94.9	Very high	95.6	Very high	32 Å²	32	47.5 Å²	47.5	17%	0.171	25%	0.247	C	C	.	.			trans	-66.7	142.2	170.1	-176.6	-95.6	0	0	0	110.3	V191 Y201 S256 T257	V191-D254 HydrophobicContact CG2-CB 4.48Å; Y201-D254 HydrophobicContact CD1-CB 4.14Å; Y201-D254 HydrophobicContact CE1-CB 3.53Å; Y201-D254 HydrophobicContact CE2-CB 4.17Å; Y201-D254 PolarHBondContact OH-N 3Å; Y201-D254 VanDerWaalsContact OH-N 3.15Å; D254-S256 PolarHBondContact O-N 3.48Å; D254-S256 WeakPolarHBondContact OD1-CB 3.47Å; D254-S256 PolarHBondContact OD1-N 2.9Å; D254-S256 PolarHBondContact OD1-OG 3.34Å; D254-T257 WeakPolarHBondContact O-CB 3.43Å; D254-T257 PolarHBondContact O-N 2.87Å; D254-T257 PolarHBondContact O-OG1 3.34Å
255	P	95.1	Very high	95.7	Very high	109 Å²	109	45.7 Å²	45.7	71%	0.708	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-24	179.3	-28	36	0	0	0	114.7	T257	P255-T257 PolarHBondContact O-N 3.47Å
256	S	95.1	Very high	95.8	Very high	35 Å²	35	47.4 Å²	47.4	25%	0.245	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.9	176	70	0	0	0	0	114.1	D254 K260	D254-S256 PolarHBondContact O-N 3.48Å; D254-S256 WeakPolarHBondContact OD1-CB 3.47Å; D254-S256 PolarHBondContact OD1-N 2.9Å; D254-S256 PolarHBondContact OD1-OG 3.34Å; S256-K260 VanDerWaalsContact O-CE 3.31Å; S256-K260 WeakPolarHBondContact O-CE 3.39Å
257	T	97	Very high	95.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-85.3	-33.2	-178	-55	0	0	0	0	113.1	Y201 E206 F209 L253 D254 P255 K260 I261	Y201-T257 WeakPolarHBondContact CE1-OG1 3.47Å; Y201-T257 PolarHBondContact OH-OG1 3.09Å; E206-T257 HydrophobicContact CG-CG2 3.93Å; E206-T257 VanDerWaalsContact OE1-CA 3.26Å; E206-T257 WeakPolarHBondContact OE1-CA 3.3Å; E206-T257 WeakPolarHBondContact OE1-CB 3.28Å; E206-T257 PolarHBondContact OE1-OG1 3.06Å; F209-T257 HydrophobicContact CD1-CG2 4.11Å; F209-T257 HydrophobicContact CE1-CG2 3.8Å; L253-T257 HydrophobicContact CB-CG2 4.5Å; L253-T257 HydrophobicContact CD1-CG2 3.78Å; D254-T257 WeakPolarHBondContact O-CB 3.43Å; D254-T257 PolarHBondContact O-N 2.87Å; D254-T257 PolarHBondContact O-OG1 3.34Å; P255-T257 PolarHBondContact O-N 3.47Å; T257-K260 PolarHBondContact O-N 3.11Å; T257-I261 WeakPolarHBondContact O-CG2 3.36Å; T257-I261 PolarHBondContact O-N 3.43Å
258	E	97.2	Very high	95.9	Very high	70 Å²	70	44 Å²	44	33%	0.327	23%	0.233	S	C	.	.	H	α-helix	trans	-50.1	-53.2	-179.7	-173.9	-177.1	129.6	0	0	113.4	V246 A249 K260 I261 V262	V246-E258 HydrophobicContact CG1-CG 4.48Å; A249-E258 HydrophobicContact CB-CB 3.92Å; A249-E258 HydrophobicContact CB-CG 4.18Å; E258-K260 VanDerWaalsContact C-N 3.27Å; E258-K260 PolarHBondContact O-N 3.22Å; E258-I261 VanDerWaalsContact O-CG2 3.25Å; E258-I261 WeakPolarHBondContact O-CG2 3.23Å; E258-I261 PolarHBondContact O-N 2.66Å; E258-V262 WeakPolarHBondContact O-CG2 3.4Å; E258-V262 PolarHBondContact O-N 2.82Å; E258-V262 VanDerWaalsContact O-N 3.12Å
259	P	97.5	Very high	96	Very high	78 Å²	78	43.4 Å²	43.4	51%	0.506	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-33.8	179.1	23.7	-34.1	0	0	0	112.6	V263	P259-V263 WeakPolarHBondContact O-CG2 3.46Å; P259-V263 PolarHBondContact O-N 3.5Å
260	K	97.9	Very high	96.1	Very high	74 Å²	74	43.4 Å²	43.4	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-73.5	-39.8	-177.6	-59.9	174.2	-166.1	153.3	0	112.1	E206 L210 S256 T257 E258 V263 V264	E206-K260 WeakPolarHBondContact OE1-CD 3.11Å; E206-K260 IonicContact OE1-NZ 2.87Å; E206-K260 PolarHBondContact OE1-NZ 3.42Å; E206-K260 IonicContact OE2-NZ 3.3Å; E206-K260 PolarHBondContact OE2-NZ 3.18Å; L210-K260 HydrophobicContact CD1-CB 3.93Å; L210-K260 HydrophobicContact CD1-CD 4.16Å; L210-K260 HydrophobicContact CD2-CB 4.12Å; S256-K260 VanDerWaalsContact O-CE 3.31Å; S256-K260 WeakPolarHBondContact O-CE 3.39Å; T257-K260 PolarHBondContact O-N 3.11Å; E258-K260 VanDerWaalsContact C-N 3.27Å; E258-K260 PolarHBondContact O-N 3.22Å; K260-V263 PolarHBondContact O-N 3.19Å; K260-V264 PolarHBondContact O-N 3.15Å
261	I	97.7	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.5	-36.8	177.6	-171.7	60	0	0	0	110.9	F209 L210 E245 A249 T257 E258 V263 V264 L265	F209-I261 HydrophobicContact CE1-CB 4.18Å; F209-I261 HydrophobicContact CE1-CD1 3.89Å; F209-I261 HydrophobicContact CE1-CG1 4.05Å; F209-I261 HydrophobicContact CZ-CD1 4.04Å; F209-I261 HydrophobicContact CZ-CG1 4.12Å; L210-I261 HydrophobicContact CD2-CB 4Å; L210-I261 HydrophobicContact CD2-CD1 4.03Å; E245-I261 HydrophobicContact CG-CD1 4.28Å; E245-I261 HydrophobicContact CG-CG1 3.4Å; E245-I261 HydrophobicContact CG-CG2 4.3Å; A249-I261 HydrophobicContact CB-CG2 4.35Å; T257-I261 WeakPolarHBondContact O-CG2 3.36Å; T257-I261 PolarHBondContact O-N 3.43Å; E258-I261 VanDerWaalsContact O-CG2 3.25Å; E258-I261 WeakPolarHBondContact O-CG2 3.23Å; E258-I261 PolarHBondContact O-N 2.66Å; I261-V263 VanDerWaalsContact C-N 3.32Å; I261-V263 PolarHBondContact O-N 2.69Å; I261-V264 HydrophobicContact CD1-CB 4.34Å; I261-V264 WeakPolarHBondContact O-CB 3.37Å; I261-V264 PolarHBondContact O-N 3.22Å; I261-V264 VanDerWaalsContact O-N 3.11Å; I261-L265 HydrophobicContact CD1-CD1 3.97Å; I261-L265 HydrophobicContact CG1-CD1 3.83Å; I261-L265 WeakPolarHBondContact O-CD1 3.19Å; I261-L265 PolarHBondContact O-N 3.49Å
262	V	97.9	Very high	96.5	Very high	23 Å²	23	39.9 Å²	39.9	14%	0.139	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-44	173.7	171.4	0	0	0	0	111	V246 E258 V264 L265 E266	V246-V262 HydrophobicContact CG2-CG2 3.71Å; E258-V262 WeakPolarHBondContact O-CG2 3.4Å; E258-V262 PolarHBondContact O-N 2.82Å; E258-V262 VanDerWaalsContact O-N 3.12Å; V262-V264 VanDerWaalsContact C-N 3.29Å; V262-V264 PolarHBondContact O-N 3.19Å; V262-L265 PolarHBondContact O-N 2.79Å; V262-L265 VanDerWaalsContact O-N 3.09Å; V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.47Å; V262-E266 WeakPolarHBondContact O-CG 3.4Å; V262-E266 PolarHBondContact O-N 3.42Å
263	V	97.8	Very high	96.8	Very high	82 Å²	82	40.3 Å²	40.3	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-58.2	-40.3	174.8	169.3	0	0	0	0	111.9	P259 K260 I261 L265 E266 E267	P259-V263 WeakPolarHBondContact O-CG2 3.46Å; P259-V263 PolarHBondContact O-N 3.5Å; K260-V263 PolarHBondContact O-N 3.19Å; I261-V263 VanDerWaalsContact C-N 3.32Å; I261-V263 PolarHBondContact O-N 2.69Å; V263-L265 VanDerWaalsContact C-N 3.35Å; V263-L265 PolarHBondContact O-N 2.88Å; V263-E266 PolarHBondContact O-N 2.94Å; V263-E267 WeakPolarHBondContact O-CB 3.32Å; V263-E267 PolarHBondContact O-N 3.29Å
264	V	98.2	Very high	96.8	Very high	6 Å²	6	40 Å²	40	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-40.6	175.9	172.3	0	0	0	0	111.6	L210 R214 K260 I261 V262 E267 E268	L210-V264 HydrophobicContact CD2-CG2 4.21Å; R214-V264 HydrophobicContact CB-CG1 3.86Å; R214-V264 HydrophobicContact CG-CG1 4.39Å; K260-V264 PolarHBondContact O-N 3.15Å; I261-V264 HydrophobicContact CD1-CB 4.34Å; I261-V264 WeakPolarHBondContact O-CB 3.37Å; I261-V264 PolarHBondContact O-N 3.22Å; I261-V264 VanDerWaalsContact O-N 3.11Å; V262-V264 VanDerWaalsContact C-N 3.29Å; V262-V264 PolarHBondContact O-N 3.19Å; V264-E267 PolarHBondContact O-N 3.04Å; V264-E268 PolarHBondContact O-N 3.32Å
265	L	98	Very high	96.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-68	-41.7	176.2	-83.5	80.4	0	0	0	111.4	Y217 R241 I242 E245 I261 V262 V263 E267 L269	Y217-L265 HydrophobicContact CD2-CD1 3.88Å; Y217-L265 HydrophobicContact CD2-CG 3.95Å; Y217-L265 HydrophobicContact CE1-CD2 4.49Å; Y217-L265 HydrophobicContact CE2-CD1 3.56Å; Y217-L265 HydrophobicContact CE2-CD2 4.21Å; Y217-L265 HydrophobicContact CE2-CG 3.83Å; Y217-L265 HydrophobicContact CG-CG 4.43Å; R241-L265 HydrophobicContact CB-CD2 4.22Å; I242-L265 HydrophobicContact CB-CD2 4.42Å; I242-L265 HydrophobicContact CG1-CB 4.27Å; I242-L265 HydrophobicContact CG1-CD2 3.85Å; E245-L265 HydrophobicContact CB-CD1 4.28Å; E245-L265 HydrophobicContact CB-CD2 3.98Å; E245-L265 HydrophobicContact CG-CD1 3.85Å; E245-L265 HydrophobicContact CG-CD2 4.42Å; I261-L265 HydrophobicContact CD1-CD1 3.97Å; I261-L265 HydrophobicContact CG1-CD1 3.83Å; I261-L265 WeakPolarHBondContact O-CD1 3.19Å; I261-L265 PolarHBondContact O-N 3.49Å; V262-L265 PolarHBondContact O-N 2.79Å; V262-L265 VanDerWaalsContact O-N 3.09Å; V263-L265 VanDerWaalsContact C-N 3.35Å; V263-L265 PolarHBondContact O-N 2.88Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.12Å; L265-L269 HydrophobicContact CB-CD1 4.25Å; L265-L269 HydrophobicContact CD2-CD1 4.11Å; L265-L269 HydrophobicContact CG-CD1 4.09Å; L265-L269 WeakPolarHBondContact O-CA 2.97Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 PolarHBondContact O-N 2.58Å
266	E	97.8	Very high	96.7	Very high	37 Å²	37	43.4 Å²	43.4	17%	0.173	23%	0.225	C	C	.	.	I	π-helix	trans	-63.7	-35.8	176.9	-70.4	172.8	168.1	0	0	111.6	V262 V263 I270 S271 R306 V307	V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.47Å; V262-E266 WeakPolarHBondContact O-CG 3.4Å; V262-E266 PolarHBondContact O-N 3.42Å; V263-E266 PolarHBondContact O-N 2.94Å; E266-I270 HydrophobicContact CG-CD1 4.17Å; E266-I270 VanDerWaalsContact O-CB 3.32Å; E266-I270 WeakPolarHBondContact O-CB 3.5Å; E266-I270 PolarHBondContact O-N 2.92Å; E266-S271 PolarHBondContact O-N 3.15Å; E266-S271 PolarHBondContact O-OG 3.1Å; E266-S271 VanDerWaalsContact O-OG 3.07Å; E266-R306 HydrophobicContact CG-CB 4.23Å; E266-R306 IonicContact OE1-NH1 3.49Å; E266-V307 HydrophobicContact CB-CG2 4.41Å
267	E	97.6	Very high	96.6	Very high	83 Å²	83	41.8 Å²	41.8	39%	0.388	21%	0.214	S	C	.	.	I	π-helix	trans	-69.2	-55.3	175	-172.1	176.3	-167.8	0	0	112	V263 V264 L265 S271 R272	V263-E267 WeakPolarHBondContact O-CB 3.32Å; V263-E267 PolarHBondContact O-N 3.29Å; V264-E267 PolarHBondContact O-N 3.04Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.12Å; E267-S271 WeakPolarHBondContact O-CB 3.31Å; E267-R272 PolarHBondContact O-N 2.89Å; E267-R272 VanDerWaalsContact O-N 3.14Å
268	E	97.4	Very high	96.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	21%	0.214	C	C	.	.	I	π-helix	trans	-81.8	-32.2	-170.5	-65.5	-68.1	164.8	0	0	113.6	R214 R218 S221 V264 R272 H273	R214-E268 HydrophobicContact CG-CG 3.7Å; R214-E268 WeakPolarHBondContact CG-OE1 3.48Å; R218-E268 WeakPolarHBondContact CB-OE2 3.48Å; R218-E268 IonicContact CZ-OE1 2.93Å; R218-E268 IonicContact NE-OE1 3.68Å; R218-E268 IonicContact NE-OE2 3.38Å; R218-E268 PolarHBondContact NE-OE2 3Å; R218-E268 IonicContact NH2-OE1 3.19Å; R218-E268 PolarHBondContact NH2-OE1 3.37Å; R218-E268 IonicContact NH2-OE2 2.71Å; S221-E268 PolarHBondContact OG-O 2.92Å; V264-E268 PolarHBondContact O-N 3.32Å; E268-R272 WeakPolarHBondContact OE2-CD 3.47Å; E268-R272 IonicContact OE2-CZ 3.34Å; E268-R272 IonicContact OE2-NE 2.85Å; E268-R272 PolarHBondContact OE2-NE 3.37Å; E268-R272 IonicContact OE2-NH1 2.83Å; E268-R272 PolarHBondContact OE2-NH1 3.04Å; E268-H273 PolarHBondContact O-CD2 3.03Å; E268-H273 VanDerWaalsContact O-CD2 3.26Å; E268-H273 PolarHBondContact O-NE2 2.99Å
269	L	96.9	Very high	96.4	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	21%	0.213	C	C	.	.	I	π-helix	trans	-96.2	-25.9	-177.8	-56.8	-179.6	0	0	0	113.6	Y217 Y234 V238 R241 L265	Y217-L269 HydrophobicContact CD1-CD1 3.96Å; Y217-L269 HydrophobicContact CD1-CD2 4.08Å; Y217-L269 HydrophobicContact CD1-CG 4.34Å; Y217-L269 HydrophobicContact CE1-CD1 4.44Å; Y217-L269 HydrophobicContact CG-CD1 4.38Å; Y217-L269 HydrophobicContact CG-CD2 4.33Å; Y217-L269 HydrophobicContact CG-CG 4.43Å; Y234-L269 WeakPolarHBondContact CE1-O 3.38Å; Y234-L269 PolarHBondContact OH-O 2.96Å; V238-L269 HydrophobicContact CG1-CB 4.2Å; V238-L269 HydrophobicContact CG1-CD1 4.5Å; V238-L269 HydrophobicContact CG2-CB 4Å; R241-L269 HydrophobicContact CB-CD1 4.08Å; L265-L269 HydrophobicContact CB-CD1 4.25Å; L265-L269 HydrophobicContact CD2-CD1 4.11Å; L265-L269 HydrophobicContact CG-CD1 4.09Å; L265-L269 WeakPolarHBondContact O-CA 2.97Å; L265-L269 WeakPolarHBondContact O-CB 3.42Å; L265-L269 PolarHBondContact O-N 2.58Å
270	I	97.3	Very high	96.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.2	C	C	.	.	I	π-helix	trans	-113.5	-64.1	-174.2	-48.6	177.6	0	0	0	111.1	V238 I242 E266 R272 H273 M274 V303 L304 R306 V307	V238-I270 HydrophobicContact CG1-CD1 4.13Å; V238-I270 HydrophobicContact CG1-CG1 3.86Å; I242-I270 HydrophobicContact CD1-CD1 4.27Å; E266-I270 HydrophobicContact CG-CD1 4.17Å; E266-I270 VanDerWaalsContact O-CB 3.32Å; E266-I270 WeakPolarHBondContact O-CB 3.5Å; E266-I270 PolarHBondContact O-N 2.92Å; I270-R272 VanDerWaalsContact C-N 3.32Å; I270-R272 PolarHBondContact O-N 3.48Å; I270-H273 PolarHBondContact O-N 3.47Å; I270-H273 VanDerWaalsContact O-N 3.12Å; I270-M274 HydrophobicContact CG2-CE 4.27Å; I270-M274 WeakPolarHBondContact O-CB 3.29Å; I270-M274 PolarHBondContact O-N 3.17Å; I270-V303 HydrophobicContact CD1-CG1 3.6Å; I270-V303 HydrophobicContact CG1-CG1 3.84Å; I270-V303 HydrophobicContact CG2-CG1 4.33Å; I270-L304 HydrophobicContact CG2-CD2 3.79Å; I270-R306 HydrophobicContact CD1-CB 4.2Å; I270-V307 HydrophobicContact CB-CG2 4.07Å; I270-V307 HydrophobicContact CG2-CG2 3.81Å
271	S	97	Very high	95.6	Very high	47 Å²	47	43.2 Å²	43.2	33%	0.329	22%	0.223	S	C	.	.	I	π-helix	trans	-57.1	-41.5	-173.5	-59.7	0	0	0	0	113.2	E266 E267 H273 M274 V307	E266-S271 PolarHBondContact O-N 3.15Å; E266-S271 PolarHBondContact O-OG 3.1Å; E266-S271 VanDerWaalsContact O-OG 3.07Å; E267-S271 WeakPolarHBondContact O-CB 3.31Å; S271-H273 VanDerWaalsContact C-N 3.34Å; S271-H273 PolarHBondContact O-N 3.31Å; S271-M274 WeakPolarHBondContact O-CG 3.29Å; S271-V307 WeakPolarHBondContact OG-CG1 3.15Å; S271-V307 WeakPolarHBondContact OG-CG2 3.04Å
272	R	95.8	Very high	95.2	Very high	120 Å²	120	49.5 Å²	49.5	45%	0.453	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27	179.8	-81.7	175.7	138.4	-140.8	-10.9	114.7	R218 E267 E268 I270	R218-R272 VanDerWaalsContact CG-NH1 3.34Å; E267-R272 PolarHBondContact O-N 2.89Å; E267-R272 VanDerWaalsContact O-N 3.14Å; E268-R272 WeakPolarHBondContact OE2-CD 3.47Å; E268-R272 IonicContact OE2-CZ 3.34Å; E268-R272 IonicContact OE2-NE 2.85Å; E268-R272 PolarHBondContact OE2-NE 3.37Å; E268-R272 IonicContact OE2-NH1 2.83Å; E268-R272 PolarHBondContact OE2-NH1 3.04Å; I270-R272 VanDerWaalsContact C-N 3.32Å; I270-R272 PolarHBondContact O-N 3.48Å
273	H	94.8	Very high	95	Very high	20 Å²	20	49.2 Å²	49.2	9%	0.093	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-1.8	-167.6	-58.9	-58.6	0	0	0	114.1	S221 L225 Y234 E268 I270 S271 E275 T276 I277	S221-H273 VanDerWaalsContact CB-NE2 3.3Å; S221-H273 WeakPolarHBondContact CB-NE2 3.12Å; S221-H273 PolarHBondContact OG-NE2 2.9Å; L225-H273 HydrophobicContact CD1-CB 4.04Å; L225-H273 WeakPolarHBondContact CD1-ND1 3.47Å; Y234-H273 PolarHBondContact OH-CD2 3.14Å; Y234-H273 VanDerWaalsContact OH-CD2 3.27Å; E268-H273 PolarHBondContact O-CD2 3.03Å; E268-H273 VanDerWaalsContact O-CD2 3.26Å; E268-H273 PolarHBondContact O-NE2 2.99Å; I270-H273 PolarHBondContact O-N 3.47Å; I270-H273 VanDerWaalsContact O-N 3.12Å; S271-H273 VanDerWaalsContact C-N 3.34Å; S271-H273 PolarHBondContact O-N 3.31Å; H273-E275 PolarHBondContact O-N 3.33Å; H273-T276 WeakPolarHBondContact O-CB 3.44Å; H273-T276 PolarHBondContact O-N 3.5Å; H273-T276 VanDerWaalsContact O-N 3.08Å; H273-I277 HydrophobicContact CB-CD1 3.69Å; H273-I277 HydrophobicContact CB-CG1 4.17Å; H273-I277 WeakPolarHBondContact O-CD1 3.19Å; H273-I277 VanDerWaalsContact O-CG1 3.23Å; H273-I277 WeakPolarHBondContact O-CG1 3.22Å; H273-I277 PolarHBondContact O-N 3.42Å
274	M	93.8	Very high	94.8	Very high	14 Å²	14	45.3 Å²	45.3	7%	0.069	23%	0.232	C	C	.	.	H	α-helix	trans	-53.6	-45.7	-176.3	50.7	-175.7	35.6	0	0	113.9	I270 S271 V278 L304 V307 E309 I313	I270-M274 HydrophobicContact CG2-CE 4.27Å; I270-M274 WeakPolarHBondContact O-CB 3.29Å; I270-M274 PolarHBondContact O-N 3.17Å; S271-M274 WeakPolarHBondContact O-CG 3.29Å; M274-V278 VanDerWaalsContact O-CB 3.31Å; M274-V278 WeakPolarHBondContact O-CB 3.32Å; M274-V278 WeakPolarHBondContact O-CG2 3.32Å; M274-V278 PolarHBondContact O-N 3.34Å; M274-L304 HydrophobicContact CB-CD2 3.67Å; M274-V307 HydrophobicContact CE-CB 3.83Å; M274-V307 HydrophobicContact CE-CG1 3.77Å; M274-V307 HydrophobicContact CE-CG2 4.24Å; M274-E309 HydrophobicContact SD-CB 4.37Å; M274-I313 HydrophobicContact CB-CD1 4.2Å; M274-I313 HydrophobicContact CG-CD1 3.58Å; M274-I313 HydrophobicContact SD-CD1 3.25Å; M274-I313 WeakPolarHBondContact SD-CD1 3.37Å
275	E	94.3	Very high	94.8	Very high	132 Å²	132	45 Å²	45	62%	0.617	23%	0.231	S	C	*	.	H	α-helix	trans	-65.7	-41.8	177.2	-70	-162	-179.7	0	0	111.8	H273 G279 I313	H273-E275 PolarHBondContact O-N 3.33Å; E275-G279 WeakPolarHBondContact O-CA 3.26Å; E275-G279 PolarHBondContact O-N 3Å; E275-I313 HydrophobicContact CG-CD1 4.02Å
276	T	93.6	Very high	94.6	Very high	79 Å²	79	47.9 Å²	47.9	49%	0.485	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-48.6	177.4	-50.4	0	0	0	0	111.2	H273 G279 M280	H273-T276 WeakPolarHBondContact O-CB 3.44Å; H273-T276 PolarHBondContact O-N 3.5Å; H273-T276 VanDerWaalsContact O-N 3.08Å; T276-G279 PolarHBondContact O-N 3.07Å; T276-M280 WeakPolarHBondContact O-CG 3.38Å; T276-M280 PolarHBondContact O-N 3.46Å; T276-M280 VanDerWaalsContact O-N 3.14Å
277	I	94.2	Very high	94.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-45.4	-176.6	-62.8	156.2	0	0	0	110.9	A231 Y234 I235 H273 G279 M300	A231-I277 HydrophobicContact CB-CG2 3.9Å; Y234-I277 HydrophobicContact CD1-CD1 3.37Å; Y234-I277 HydrophobicContact CD1-CG1 3.89Å; Y234-I277 HydrophobicContact CE1-CD1 3.18Å; Y234-I277 HydrophobicContact CE1-CG1 4.07Å; Y234-I277 HydrophobicContact CG-CD1 4.28Å; Y234-I277 HydrophobicContact CG-CG1 4.36Å; I235-I277 HydrophobicContact CD1-CG2 4.16Å; I235-I277 HydrophobicContact CG1-CG2 4.36Å; H273-I277 HydrophobicContact CB-CD1 3.69Å; H273-I277 HydrophobicContact CB-CG1 4.17Å; H273-I277 WeakPolarHBondContact O-CD1 3.19Å; H273-I277 VanDerWaalsContact O-CG1 3.23Å; H273-I277 WeakPolarHBondContact O-CG1 3.22Å; H273-I277 PolarHBondContact O-N 3.42Å; I277-G279 VanDerWaalsContact C-N 3.31Å; I277-G279 PolarHBondContact O-N 2.77Å; I277-M300 HydrophobicContact CG2-CE 4.14Å
278	V	95.2	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-36.3	179.4	175.5	0	0	0	0	110.6	M274 L285 M300 L304 I313 M314 Y317	M274-V278 VanDerWaalsContact O-CB 3.31Å; M274-V278 WeakPolarHBondContact O-CB 3.32Å; M274-V278 WeakPolarHBondContact O-CG2 3.32Å; M274-V278 PolarHBondContact O-N 3.34Å; V278-L285 HydrophobicContact CG1-CB 3.72Å; V278-L285 HydrophobicContact CG1-CD2 3.83Å; V278-L285 HydrophobicContact CG1-CG 4.44Å; V278-L285 PolarHBondContact O-N 3.13Å; V278-M300 HydrophobicContact CG2-SD 4.07Å; V278-L304 HydrophobicContact CG2-CD1 3.5Å; V278-I313 HydrophobicContact CB-CG2 4.29Å; V278-I313 HydrophobicContact CG1-CG2 4.25Å; V278-I313 HydrophobicContact CG2-CG2 4.24Å; V278-M314 HydrophobicContact CG2-CG 4.47Å; V278-Y317 HydrophobicContact CB-CD2 4.42Å; V278-Y317 HydrophobicContact CB-CE2 4.42Å; V278-Y317 HydrophobicContact CG1-CD1 4.02Å; V278-Y317 HydrophobicContact CG1-CD2 3.38Å; V278-Y317 HydrophobicContact CG1-CE1 4.4Å; V278-Y317 HydrophobicContact CG1-CE2 3.81Å; V278-Y317 HydrophobicContact CG1-CG 3.49Å; V278-Y317 VanDerWaalsContact CG1-CG 3.49Å
279	G	93.7	Very high	94.4	Very high	29 Å²	29	46.4 Å²	46.4	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.9	-176.6	0	0	0	0	0	116.6	E275 T276 I277 E281 Y317	E275-G279 WeakPolarHBondContact O-CA 3.26Å; E275-G279 PolarHBondContact O-N 3Å; T276-G279 PolarHBondContact O-N 3.07Å; I277-G279 VanDerWaalsContact C-N 3.31Å; I277-G279 PolarHBondContact O-N 2.77Å; G279-E281 PolarHBondContact O-N 3.49Å; G279-Y317 WeakPolarHBondContact CA-OH 3.16Å
280	M	93	Very high	94.3	Very high	46 Å²	46	49.1 Å²	49.1	23%	0.227	26%	0.256	C	S	.	.			trans	-57.8	130.1	179.5	-64.8	-171.9	75.4	0	0	111.8	T229 A231 T276 D282 G284	T229-M280 VanDerWaalsContact O-CE 3.25Å; T229-M280 WeakPolarHBondContact O-CE 3.45Å; A231-M280 HydrophobicContact CB-SD 3.88Å; T276-M280 WeakPolarHBondContact O-CG 3.38Å; T276-M280 PolarHBondContact O-N 3.46Å; T276-M280 VanDerWaalsContact O-N 3.14Å; M280-D282 PolarHBondContact O-N 3.03Å; M280-G284 WeakPolarHBondContact O-CA 3.24Å; M280-G284 PolarHBondContact O-N 3.15Å
281	E	86.6	Confident	94.2	Very high	176 Å²	176	53.5 Å²	53.5	82%	0.822	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-48.3	-172.5	-64.4	-174.9	166	0	0	113.1	G279	G279-E281 PolarHBondContact O-N 3.49Å
282	D	88.9	Confident	94.1	Very high	133 Å²	133	54.6 Å²	54.6	71%	0.711	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-1.8	-172.2	-64.7	-42.3	0	0	0	114.8	M280 Y287	M280-D282 PolarHBondContact O-N 3.03Å; D282-Y287 VanDerWaalsContact O-CD2 3.29Å; D282-Y287 WeakPolarHBondContact O-CD2 3.38Å; D282-Y287 WeakPolarHBondContact O-CE2 3.4Å; D282-Y287 VanDerWaalsContact O-CG 3.3Å
283	S	93.6	Very high	94	Very high	16 Å²	16	52.3 Å²	52.3	11%	0.112	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	-5.9	-178.8	64.5	0	0	0	0	115	S230 A231 M288	S230-S283 WeakPolarHBondContact CA-OG 3.47Å; A231-S283 WeakPolarHBondContact CB-O 3.44Å; A231-S283 PolarHBondContact N-OG 2.87Å; S283-M288 WeakPolarHBondContact O-CE 3.47Å
284	G	94.2	Very high	94.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-74.4	-169.8	-179.3	0	0	0	0	0	112.8	M280 T286 Y287 M288	M280-G284 WeakPolarHBondContact O-CA 3.24Å; M280-G284 PolarHBondContact O-N 3.15Å; G284-T286 VanDerWaalsContact C-N 3.33Å; G284-T286 PolarHBondContact O-N 3.12Å; G284-Y287 WeakPolarHBondContact O-CB 3.46Å; G284-Y287 PolarHBondContact O-N 3.44Å; G284-Y287 VanDerWaalsContact O-N 3.13Å; G284-M288 WeakPolarHBondContact O-CG 3.17Å; G284-M288 PolarHBondContact O-N 3.07Å
285	L	96.5	Very high	94.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-38.8	-170.6	-176.3	55.5	0	0	0	112.5	V278 Y287 M288 L289 I297 M300 M314 I318	V278-L285 HydrophobicContact CG1-CB 3.72Å; V278-L285 HydrophobicContact CG1-CD2 3.83Å; V278-L285 HydrophobicContact CG1-CG 4.44Å; V278-L285 PolarHBondContact O-N 3.13Å; L285-Y287 VanDerWaalsContact C-N 3.34Å; L285-Y287 PolarHBondContact O-N 2.83Å; L285-M288 PolarHBondContact O-N 3.38Å; L285-L289 HydrophobicContact CD1-CD1 4.26Å; L285-L289 HydrophobicContact CD1-CG 4.15Å; L285-L289 HydrophobicContact CG-CD1 3.96Å; L285-L289 HydrophobicContact CG-CG 4.35Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CG 3.25Å; L285-L289 PolarHBondContact O-N 3.1Å; L285-I297 HydrophobicContact CD1-CD1 4.27Å; L285-I297 HydrophobicContact CD1-CG1 3.95Å; L285-I297 HydrophobicContact CD1-CG2 3.95Å; L285-M300 HydrophobicContact CB-SD 4.17Å; L285-M300 HydrophobicContact CD1-SD 4.3Å; L285-M314 HydrophobicContact CD1-CE 4.09Å; L285-M314 HydrophobicContact CD2-CB 4.07Å; L285-M314 HydrophobicContact CD2-CE 4.07Å; L285-M314 HydrophobicContact CD2-CG 4.2Å; L285-I318 HydrophobicContact CD2-CG1 4.09Å
286	T	94.7	Very high	94.2	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-41.7	176.7	-54.7	0	0	0	0	111.9	G284 L289 T290 Y321	G284-T286 VanDerWaalsContact C-N 3.33Å; G284-T286 PolarHBondContact O-N 3.12Å; T286-L289 PolarHBondContact O-N 3.16Å; T286-T290 WeakPolarHBondContact O-CB 3.47Å; T286-T290 PolarHBondContact O-N 3.48Å; T286-T290 PolarHBondContact O-OG1 2.84Å; T286-Y321 HydrophobicContact CG2-CD2 4.29Å
287	Y	95.6	Very high	94.4	Very high	83 Å²	83	47.4 Å²	47.4	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-48.2	175.6	178.1	-86.4	0	0	0	110.9	D282 G284 L285 L289 T290 H291	D282-Y287 VanDerWaalsContact O-CD2 3.29Å; D282-Y287 WeakPolarHBondContact O-CD2 3.38Å; D282-Y287 WeakPolarHBondContact O-CE2 3.4Å; D282-Y287 VanDerWaalsContact O-CG 3.3Å; G284-Y287 WeakPolarHBondContact O-CB 3.46Å; G284-Y287 PolarHBondContact O-N 3.44Å; G284-Y287 VanDerWaalsContact O-N 3.13Å; L285-Y287 VanDerWaalsContact C-N 3.34Å; L285-Y287 PolarHBondContact O-N 2.83Å; Y287-L289 VanDerWaalsContact C-N 3.31Å; Y287-L289 PolarHBondContact O-N 3.15Å; Y287-T290 PolarHBondContact O-N 3.42Å; Y287-T290 VanDerWaalsContact O-N 3.15Å; Y287-H291 AromaticContact CD1-ND1 3.85Å; Y287-H291 AromaticContact CD2-CE1 3.51Å; Y287-H291 AromaticContact CD2-ND1 3.66Å; Y287-H291 AromaticContact CE1-ND1 3.7Å; Y287-H291 AromaticContact CE2-CE1 3.19Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.32Å; Y287-H291 AromaticContact CE2-ND1 3.52Å; Y287-H291 AromaticContact CG-ND1 3.82Å; Y287-H291 AromaticContact CZ-CE1 3.58Å; Y287-H291 AromaticContact CZ-ND1 3.53Å; Y287-H291 PolarHBondContact O-N 2.89Å; Y287-H291 VanDerWaalsContact O-N 3.16Å; Y287-H291 PolarHBondContact O-ND1 3.27Å
288	M	96.7	Very high	94.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-40.4	178.9	-64.6	179.5	-174.9	0	0	112.2	A231 S232 S283 G284 L285 H291 D292 H293 D296 I297 M300	A231-M288 HydrophobicContact CB-CE 3.96Å; S232-M288 VanDerWaalsContact OG-CE 3.29Å; S232-M288 WeakPolarHBondContact OG-CE 3.5Å; S283-M288 WeakPolarHBondContact O-CE 3.47Å; G284-M288 WeakPolarHBondContact O-CG 3.17Å; G284-M288 PolarHBondContact O-N 3.07Å; L285-M288 PolarHBondContact O-N 3.38Å; M288-H291 PolarHBondContact O-N 3.4Å; M288-D292 PolarHBondContact O-N 2.87Å; M288-D292 VanDerWaalsContact O-N 3.1Å; M288-H293 HydrophobicContact CB-CB 4.17Å; M288-H293 HydrophobicContact CG-CB 4.42Å; M288-H293 PolarHBondContact O-N 3.01Å; M288-D296 HydrophobicContact CE-CB 3.93Å; M288-D296 HydrophobicContact CG-CB 4.35Å; M288-D296 HydrophobicContact SD-CB 3.71Å; M288-I297 HydrophobicContact CB-CD1 3.98Å; M288-I297 HydrophobicContact CB-CG1 3.63Å; M288-I297 HydrophobicContact CG-CG1 4.44Å; M288-I297 HydrophobicContact SD-CG1 4Å; M288-M300 HydrophobicContact CE-CE 3.53Å; M288-M300 HydrophobicContact SD-CE 3.83Å
289	L	96.2	Very high	94.6	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-36.7	176.4	-75.1	168.6	0	0	0	112.4	L285 T286 Y287 H291 I297 I318 Y321 R351 L355	L285-L289 HydrophobicContact CD1-CD1 4.26Å; L285-L289 HydrophobicContact CD1-CG 4.15Å; L285-L289 HydrophobicContact CG-CD1 3.96Å; L285-L289 HydrophobicContact CG-CG 4.35Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CG 3.25Å; L285-L289 PolarHBondContact O-N 3.1Å; T286-L289 PolarHBondContact O-N 3.16Å; Y287-L289 VanDerWaalsContact C-N 3.31Å; Y287-L289 PolarHBondContact O-N 3.15Å; L289-H291 VanDerWaalsContact C-N 3.34Å; L289-I297 HydrophobicContact CD2-CD1 3.82Å; L289-I297 HydrophobicContact CG-CD1 4.14Å; L289-I318 HydrophobicContact CD1-CG1 4.05Å; L289-Y321 HydrophobicContact CB-CD1 3.92Å; L289-Y321 HydrophobicContact CB-CD2 4.24Å; L289-Y321 HydrophobicContact CB-CE1 3.83Å; L289-Y321 HydrophobicContact CB-CE2 4.17Å; L289-Y321 HydrophobicContact CB-CG 4.11Å; L289-Y321 HydrophobicContact CD1-CD1 3.82Å; L289-Y321 HydrophobicContact CD1-CG 3.88Å; L289-Y321 HydrophobicContact CG-CD1 4.32Å; L289-Y321 PolarHBondContact O-OH 3.18Å; L289-R351 PolarHBondContact O-NH2 3.32Å; L289-L355 HydrophobicContact CD2-CD1 3.77Å; L289-L355 HydrophobicContact CD2-CD2 3.53Å; L289-L355 HydrophobicContact CD2-CG 4.29Å
290	T	94.6	Very high	94.8	Very high	64 Å²	64	49 Å²	49	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-35.5	-179.8	-58.8	0	0	0	0	111.5	T286 Y287 R351	T286-T290 WeakPolarHBondContact O-CB 3.47Å; T286-T290 PolarHBondContact O-N 3.48Å; T286-T290 PolarHBondContact O-OG1 2.84Å; Y287-T290 PolarHBondContact O-N 3.42Å; Y287-T290 VanDerWaalsContact O-N 3.15Å; T290-R351 PolarHBondContact O-NH2 3.41Å
291	H	94.9	Very high	95	Very high	93 Å²	93	47.5 Å²	47.5	43%	0.431	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	5.2	-175.1	-59.5	93.1	0	0	0	114.9	Y287 M288 L289 H293	Y287-H291 AromaticContact CD1-ND1 3.85Å; Y287-H291 AromaticContact CD2-CE1 3.51Å; Y287-H291 AromaticContact CD2-ND1 3.66Å; Y287-H291 AromaticContact CE1-ND1 3.7Å; Y287-H291 AromaticContact CE2-CE1 3.19Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.32Å; Y287-H291 AromaticContact CE2-ND1 3.52Å; Y287-H291 AromaticContact CG-ND1 3.82Å; Y287-H291 AromaticContact CZ-CE1 3.58Å; Y287-H291 AromaticContact CZ-ND1 3.53Å; Y287-H291 PolarHBondContact O-N 2.89Å; Y287-H291 VanDerWaalsContact O-N 3.16Å; Y287-H291 PolarHBondContact O-ND1 3.27Å; M288-H291 PolarHBondContact O-N 3.4Å; L289-H291 VanDerWaalsContact C-N 3.34Å; H291-H293 PolarHBondContact O-CD2 3.36Å; H291-H293 PolarHBondContact O-N 3.43Å
292	D	94.4	Very high	95.5	Very high	70 Å²	70	40.6 Å²	40.6	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	34.1	-179.4	-64.8	-40.9	0	0	0	115.3	M288 F294 R351	M288-D292 PolarHBondContact O-N 2.87Å; M288-D292 VanDerWaalsContact O-N 3.1Å; D292-F294 HydrophobicContact CB-CE2 4.04Å; D292-F294 HydrophobicContact CB-CZ 4.12Å; D292-F294 PolarHBondContact O-N 2.97Å; D292-F294 WeakPolarHBondContact OD1-CZ 3.49Å; D292-R351 IonicContact OD1-CZ 3.79Å; D292-R351 IonicContact OD1-NE 3.39Å; D292-R351 PolarHBondContact OD1-NE 2.94Å; D292-R351 IonicContact OD1-NH2 2.66Å; D292-R351 PolarHBondContact OD1-NH2 3.28Å; D292-R351 IonicContact OD2-CZ 3.96Å; D292-R351 IonicContact OD2-NE 2.74Å; D292-R351 PolarHBondContact OD2-NE 2.73Å; D292-R351 IonicContact OD2-NH2 3.6Å; D292-R351 PolarHBondContact OD2-NH2 3.23Å
293	H	95.6	Very high	95.8	Very high	72 Å²	72	34.4 Å²	34.4	33%	0.333	20%	0.2	S	C	.	.			trans	-78.3	60.9	176.6	-72.6	-150.3	0	0	0	111.7	M288 H291 S295 D296 I297	M288-H293 HydrophobicContact CB-CB 4.17Å; M288-H293 HydrophobicContact CG-CB 4.42Å; M288-H293 PolarHBondContact O-N 3.01Å; H291-H293 PolarHBondContact O-CD2 3.36Å; H291-H293 PolarHBondContact O-N 3.43Å; H293-S295 PolarHBondContact O-N 3.17Å; H293-D296 HydrophobicContact CB-CB 4.17Å; H293-D296 IonicContact CG-OD2 2.74Å; H293-D296 IonicContact ND1-OD2 3.24Å; H293-D296 PolarHBondContact ND1-OD2 3.05Å; H293-D296 PolarHBondContact O-N 3.46Å; H293-I297 WeakPolarHBondContact O-CG1 3.46Å; H293-I297 PolarHBondContact O-N 2.94Å; H293-I297 VanDerWaalsContact O-N 3.14Å
294	F	95.4	Very high	96	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-29	-174.6	-60.9	-50.2	0	0	0	114.1	D292 D296 I297 A298 E354 L355 R358 A359	D292-F294 HydrophobicContact CB-CE2 4.04Å; D292-F294 HydrophobicContact CB-CZ 4.12Å; D292-F294 PolarHBondContact O-N 2.97Å; D292-F294 WeakPolarHBondContact OD1-CZ 3.49Å; F294-D296 VanDerWaalsContact C-N 3.34Å; F294-I297 HydrophobicContact CD1-CD1 4.31Å; F294-A298 WeakPolarHBondContact O-CB 3.33Å; F294-A298 PolarHBondContact O-N 3.14Å; F294-E354 HydrophobicContact CD2-CG 4.28Å; F294-E354 HydrophobicContact CE2-CG 3.81Å; F294-E354 HydrophobicContact CZ-CG 4.27Å; F294-L355 HydrophobicContact CD1-CB 4.32Å; F294-L355 HydrophobicContact CD1-CD1 3.89Å; F294-L355 HydrophobicContact CE1-CB 3.84Å; F294-L355 HydrophobicContact CE1-CD1 4.01Å; F294-R358 HydrophobicContact CB-CB 4.34Å; F294-A359 HydrophobicContact CB-CB 4.37Å; F294-A359 WeakPolarHBondContact O-CB 3.19Å
295	S	95.9	Very high	96.1	Very high	86 Å²	86	36.1 Å²	36.1	60%	0.601	21%	0.213	S	C	*	.	H	α-helix	trans	-62.8	-41.9	174	51.6	0	0	0	0	112.1	H293 A298 A299	H293-S295 PolarHBondContact O-N 3.17Å; S295-A298 WeakPolarHBondContact O-CB 3.34Å; S295-A298 PolarHBondContact O-N 2.87Å; S295-A299 PolarHBondContact O-N 2.86Å
296	D	95.5	Very high	96.1	Very high	45 Å²	45	41.9 Å²	41.9	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-73.6	-37.7	-176.6	-61.6	-1.8	0	0	0	109.8	S232 M288 H293 F294 A298 A299 M300	S232-D296 PolarHBondContact OG-OD2 3.28Å; S232-D296 VanDerWaalsContact OG-OD2 3.14Å; M288-D296 HydrophobicContact CE-CB 3.93Å; M288-D296 HydrophobicContact CG-CB 4.35Å; M288-D296 HydrophobicContact SD-CB 3.71Å; H293-D296 HydrophobicContact CB-CB 4.17Å; H293-D296 IonicContact CG-OD2 2.74Å; H293-D296 IonicContact ND1-OD2 3.24Å; H293-D296 PolarHBondContact ND1-OD2 3.05Å; H293-D296 PolarHBondContact O-N 3.46Å; F294-D296 VanDerWaalsContact C-N 3.34Å; D296-A298 VanDerWaalsContact C-N 3.31Å; D296-A298 PolarHBondContact O-N 3.38Å; D296-A299 PolarHBondContact O-N 2.86Å; D296-M300 WeakPolarHBondContact O-CB 3.32Å; D296-M300 PolarHBondContact O-N 3.48Å
297	I	97.5	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-39.3	171.9	-58.3	172.2	0	0	0	110.6	L285 M288 L289 H293 F294 M300 Y301 M314 L355 A359 L360	L285-I297 HydrophobicContact CD1-CD1 4.27Å; L285-I297 HydrophobicContact CD1-CG1 3.95Å; L285-I297 HydrophobicContact CD1-CG2 3.95Å; M288-I297 HydrophobicContact CB-CD1 3.98Å; M288-I297 HydrophobicContact CB-CG1 3.63Å; M288-I297 HydrophobicContact CG-CG1 4.44Å; M288-I297 HydrophobicContact SD-CG1 4Å; L289-I297 HydrophobicContact CD2-CD1 3.82Å; L289-I297 HydrophobicContact CG-CD1 4.14Å; H293-I297 WeakPolarHBondContact O-CG1 3.46Å; H293-I297 PolarHBondContact O-N 2.94Å; H293-I297 VanDerWaalsContact O-N 3.14Å; F294-I297 HydrophobicContact CD1-CD1 4.31Å; I297-M300 PolarHBondContact O-N 3.2Å; I297-Y301 WeakPolarHBondContact O-CB 3.29Å; I297-Y301 PolarHBondContact O-N 2.86Å; I297-M314 HydrophobicContact CG2-CE 4.02Å; I297-L355 HydrophobicContact CD1-CD1 3.72Å; I297-L355 HydrophobicContact CG2-CD1 4.04Å; I297-A359 HydrophobicContact CB-CB 3.89Å; I297-A359 HydrophobicContact CG2-CB 3.76Å; I297-L360 HydrophobicContact CG2-CD2 4.1Å
298	A	97.3	Very high	96	Very high	34 Å²	34	43.6 Å²	43.6	28%	0.281	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-44.5	177.4	0	0	0	0	0	111.8	F294 S295 D296 Y301 G302 A359	F294-A298 WeakPolarHBondContact O-CB 3.33Å; F294-A298 PolarHBondContact O-N 3.14Å; S295-A298 WeakPolarHBondContact O-CB 3.34Å; S295-A298 PolarHBondContact O-N 2.87Å; D296-A298 VanDerWaalsContact C-N 3.31Å; D296-A298 PolarHBondContact O-N 3.38Å; A298-Y301 PolarHBondContact O-N 3.16Å; A298-G302 PolarHBondContact O-N 3.07Å; A298-A359 WeakPolarHBondContact CA-O 3.34Å; A298-A359 HydrophobicContact CB-CB 4.24Å
299	A	96.6	Very high	96	Very high	31 Å²	31	47.7 Å²	47.7	26%	0.256	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-45.5	175.1	0	0	0	0	0	111.1	I235 S295 D296 Y301 G302 V303	I235-A299 HydrophobicContact CG2-CB 3.9Å; S295-A299 PolarHBondContact O-N 2.86Å; D296-A299 PolarHBondContact O-N 2.86Å; A299-Y301 VanDerWaalsContact C-N 3.34Å; A299-Y301 PolarHBondContact O-N 3.31Å; A299-G302 PolarHBondContact O-N 3.01Å; A299-G302 VanDerWaalsContact O-N 3.16Å; A299-V303 PolarHBondContact O-N 3.14Å
300	M	97.2	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-45.8	176.3	180	179.5	-70.2	0	0	111.5	A231 I235 I277 V278 L285 M288 D296 I297 V303 L304 M314	A231-M300 HydrophobicContact CB-CE 4.04Å; I235-M300 HydrophobicContact CD1-CB 4.43Å; I235-M300 HydrophobicContact CD1-CG 4.27Å; I235-M300 HydrophobicContact CG1-CB 4.28Å; I235-M300 HydrophobicContact CG1-CG 4.48Å; I277-M300 HydrophobicContact CG2-CE 4.14Å; V278-M300 HydrophobicContact CG2-SD 4.07Å; L285-M300 HydrophobicContact CB-SD 4.17Å; L285-M300 HydrophobicContact CD1-SD 4.3Å; M288-M300 HydrophobicContact CE-CE 3.53Å; M288-M300 HydrophobicContact SD-CE 3.83Å; D296-M300 WeakPolarHBondContact O-CB 3.32Å; D296-M300 PolarHBondContact O-N 3.48Å; I297-M300 PolarHBondContact O-N 3.2Å; M300-V303 PolarHBondContact O-N 3.39Å; M300-L304 HydrophobicContact CG-CD1 3.56Å; M300-L304 HydrophobicContact CG-CG 4.26Å; M300-L304 WeakPolarHBondContact O-CB 3.36Å; M300-L304 WeakPolarHBondContact O-CG 3.48Å; M300-L304 PolarHBondContact O-N 3.16Å; M300-L304 HydrophobicContact SD-CD1 4.23Å; M300-M314 HydrophobicContact CG-CE 4.12Å; M300-M314 HydrophobicContact CG-SD 4.45Å; M300-M314 HydrophobicContact SD-CE 4.19Å
301	Y	97.5	Very high	96	Very high	14 Å²	14	45.5 Å²	45.5	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-41	175.5	173.2	-107.9	0	0	0	112	I297 A298 A299 V303 L304 S305 P311 M314 L360 N361 Q363 F366	I297-Y301 WeakPolarHBondContact O-CB 3.29Å; I297-Y301 PolarHBondContact O-N 2.86Å; A298-Y301 PolarHBondContact O-N 3.16Å; A299-Y301 VanDerWaalsContact C-N 3.34Å; A299-Y301 PolarHBondContact O-N 3.31Å; Y301-V303 VanDerWaalsContact C-N 3.3Å; Y301-V303 PolarHBondContact O-N 2.66Å; Y301-L304 PolarHBondContact O-N 3.32Å; Y301-S305 WeakPolarHBondContact O-CB 3.13Å; Y301-S305 PolarHBondContact O-N 3.29Å; Y301-S305 PolarHBondContact O-OG 2.93Å; Y301-P311 HydrophobicContact CE2-CG 4.38Å; Y301-M314 HydrophobicContact CD2-SD 4.04Å; Y301-M314 HydrophobicContact CG-SD 4.49Å; Y301-L360 HydrophobicContact CD2-CD2 4.32Å; Y301-L360 HydrophobicContact CG-CD2 4.17Å; Y301-N361 HydrophobicContact CE1-CB 4.38Å; Y301-Q363 VanDerWaalsContact OH-CG 3.26Å; Y301-Q363 WeakPolarHBondContact OH-CG 3.44Å; Y301-Q363 PolarHBondContact OH-NE2 3.13Å; Y301-F366 AromaticContact CD2-CE2 3.84Å; Y301-F366 HydrophobicContact CD2-CE2 3.84Å; Y301-F366 AromaticContact CD2-CZ 3.95Å; Y301-F366 HydrophobicContact CD2-CZ 3.95Å; Y301-F366 AromaticContact CE2-CE2 3.6Å; Y301-F366 HydrophobicContact CE2-CE2 3.6Å; Y301-F366 AromaticContact CE2-CZ 3.99Å; Y301-F366 HydrophobicContact CE2-CZ 3.99Å
302	G	96.3	Very high	96.1	Very high	32 Å²	32	44.9 Å²	44.9	33%	0.33	25%	0.245	S	C	.	.	H	α-helix	trans	-55.9	-43.2	176	0	0	0	0	0	112.8	A298 A299 S305	A298-G302 PolarHBondContact O-N 3.07Å; A299-G302 PolarHBondContact O-N 3.01Å; A299-G302 VanDerWaalsContact O-N 3.16Å; G302-S305 PolarHBondContact O-OG 3.22Å; G302-S305 VanDerWaalsContact O-OG 3.09Å
303	V	96.8	Very high	96.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-74.3	-52	176.1	173.9	0	0	0	0	111.9	I235 V238 E239 I270 A299 M300 Y301 S305 R306	I235-V303 HydrophobicContact CD1-CB 4.11Å; I235-V303 HydrophobicContact CD1-CG1 4.13Å; I235-V303 HydrophobicContact CG2-CB 4.38Å; I235-V303 HydrophobicContact CG2-CG2 3.77Å; V238-V303 HydrophobicContact CB-CG1 4.33Å; V238-V303 HydrophobicContact CG1-CG1 3.77Å; E239-V303 HydrophobicContact CG-CG2 3.36Å; I270-V303 HydrophobicContact CD1-CG1 3.6Å; I270-V303 HydrophobicContact CG1-CG1 3.84Å; I270-V303 HydrophobicContact CG2-CG1 4.33Å; A299-V303 PolarHBondContact O-N 3.14Å; M300-V303 PolarHBondContact O-N 3.39Å; Y301-V303 VanDerWaalsContact C-N 3.3Å; Y301-V303 PolarHBondContact O-N 2.66Å; V303-S305 VanDerWaalsContact C-N 3.26Å; V303-S305 PolarHBondContact O-N 3.18Å; V303-R306 VanDerWaalsContact O-CB 3.29Å; V303-R306 WeakPolarHBondContact O-CB 3.42Å; V303-R306 WeakPolarHBondContact O-CG 3.39Å; V303-R306 PolarHBondContact O-N 3.09Å; V303-R306 VanDerWaalsContact O-N 3.17Å
304	L	96.8	Very high	96.3	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-27.5	-174.7	-70.1	175.2	0	0	0	112.9	I270 M274 V278 M300 Y301 R306 V307 G310 M314	I270-L304 HydrophobicContact CG2-CD2 3.79Å; M274-L304 HydrophobicContact CB-CD2 3.67Å; V278-L304 HydrophobicContact CG2-CD1 3.5Å; M300-L304 HydrophobicContact CG-CD1 3.56Å; M300-L304 HydrophobicContact CG-CG 4.26Å; M300-L304 WeakPolarHBondContact O-CB 3.36Å; M300-L304 WeakPolarHBondContact O-CG 3.48Å; M300-L304 PolarHBondContact O-N 3.16Å; M300-L304 HydrophobicContact SD-CD1 4.23Å; Y301-L304 PolarHBondContact O-N 3.32Å; L304-R306 PolarHBondContact O-N 3.12Å; L304-R306 VanDerWaalsContact O-N 3.15Å; L304-V307 PolarHBondContact O-N 2.9Å; L304-V307 VanDerWaalsContact O-N 3.12Å; L304-V307 VanDerWaalsContact O-O 3.1Å; L304-G310 WeakPolarHBondContact O-CA 3.37Å; L304-M314 HydrophobicContact CB-SD 4.28Å; L304-M314 HydrophobicContact CD1-CG 3.61Å; L304-M314 HydrophobicContact CD1-SD 3.74Å
305	S	96.6	Very high	96.4	Very high	51 Å²	51	38.7 Å²	38.7	36%	0.357	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.3	177.2	66.6	0	0	0	0	114.5	Y301 G302 V303 V307	Y301-S305 WeakPolarHBondContact O-CB 3.13Å; Y301-S305 PolarHBondContact O-N 3.29Å; Y301-S305 PolarHBondContact O-OG 2.93Å; G302-S305 PolarHBondContact O-OG 3.22Å; G302-S305 VanDerWaalsContact O-OG 3.09Å; V303-S305 VanDerWaalsContact C-N 3.26Å; V303-S305 PolarHBondContact O-N 3.18Å; S305-V307 PolarHBondContact O-N 3.5Å
306	R	96.1	Very high	96.5	Very high	120 Å²	120	39.1 Å²	39.1	45%	0.453	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.7	171.6	-66.1	178.7	171.1	-83.7	-2.6	112.9	E266 I270 V303 L304	E266-R306 HydrophobicContact CG-CB 4.23Å; E266-R306 IonicContact OE1-NH1 3.49Å; I270-R306 HydrophobicContact CD1-CB 4.2Å; V303-R306 VanDerWaalsContact O-CB 3.29Å; V303-R306 WeakPolarHBondContact O-CB 3.42Å; V303-R306 WeakPolarHBondContact O-CG 3.39Å; V303-R306 PolarHBondContact O-N 3.09Å; V303-R306 VanDerWaalsContact O-N 3.17Å; L304-R306 PolarHBondContact O-N 3.12Å; L304-R306 VanDerWaalsContact O-N 3.15Å
307	V	95.7	Very high	96.5	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.152	21%	0.21	C	C	.	.	S	Bend	trans	-111.8	135.1	178.8	-174.3	0	0	0	0	109.3	E266 I270 S271 M274 L304 S305 E309 G310 P311	E266-V307 HydrophobicContact CB-CG2 4.41Å; I270-V307 HydrophobicContact CB-CG2 4.07Å; I270-V307 HydrophobicContact CG2-CG2 3.81Å; S271-V307 WeakPolarHBondContact OG-CG1 3.15Å; S271-V307 WeakPolarHBondContact OG-CG2 3.04Å; M274-V307 HydrophobicContact CE-CB 3.83Å; M274-V307 HydrophobicContact CE-CG1 3.77Å; M274-V307 HydrophobicContact CE-CG2 4.24Å; L304-V307 PolarHBondContact O-N 2.9Å; L304-V307 VanDerWaalsContact O-N 3.12Å; L304-V307 VanDerWaalsContact O-O 3.1Å; S305-V307 PolarHBondContact O-N 3.5Å; V307-E309 PolarHBondContact O-N 3.31Å; V307-E309 VanDerWaalsContact O-N 3.16Å; V307-G310 PolarHBondContact O-N 3.04Å; V307-P311 WeakPolarHBondContact O-CD 3.48Å
308	E	93.4	Very high	96.5	Very high	156 Å²	156	40.1 Å²	40.1	73%	0.729	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.8	-174.7	-169.4	-175.3	158.8	0	0	113.5	K312	E308-K312 IonicContact OE1-NZ 2.81Å
309	E	94.9	Very high	96.5	Very high	89 Å²	89	39 Å²	39	42%	0.416	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.7	179.8	-66.3	-56.5	122.8	0	0	113.8	M274 V307 K312 I313	M274-E309 HydrophobicContact SD-CB 4.37Å; V307-E309 PolarHBondContact O-N 3.31Å; V307-E309 VanDerWaalsContact O-N 3.16Å; E309-K312 WeakPolarHBondContact O-CB 3.41Å; E309-K312 PolarHBondContact O-N 3.15Å; E309-K312 VanDerWaalsContact O-N 3.07Å; E309-K312 IonicContact OE1-NZ 3.77Å; E309-K312 PolarHBondContact OE1-NZ 3.28Å; E309-K312 WeakPolarHBondContact OE2-CD 3.36Å; E309-K312 IonicContact OE2-NZ 2.66Å; E309-I313 PolarHBondContact O-N 2.68Å
310	G	96.2	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-52.4	-175.1	0	0	0	0	0	113.7	L304 V307 K312 I313 M314	L304-G310 WeakPolarHBondContact O-CA 3.37Å; V307-G310 PolarHBondContact O-N 3.04Å; G310-K312 VanDerWaalsContact C-N 3.26Å; G310-K312 PolarHBondContact O-N 3.24Å; G310-I313 PolarHBondContact O-N 2.91Å; G310-M314 PolarHBondContact O-N 3.45Å
311	P	96.5	Very high	96.5	Very high	22 Å²	22	43.9 Å²	43.9	14%	0.143	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-33.5	175.4	-26.3	35.5	0	0	0	113.8	Y301 V307 S315 I365 F366	Y301-P311 HydrophobicContact CE2-CG 4.38Å; V307-P311 WeakPolarHBondContact O-CD 3.48Å; P311-S315 VanDerWaalsContact O-CB 3.23Å; P311-S315 WeakPolarHBondContact O-CB 3.42Å; P311-S315 PolarHBondContact O-N 3.41Å; P311-I365 HydrophobicContact CB-CG2 4.38Å; P311-F366 HydrophobicContact CB-CZ 4.11Å; P311-F366 VanDerWaalsContact O-CE1 3.31Å; P311-F366 WeakPolarHBondContact O-CE1 3.41Å
312	K	96.5	Very high	96.5	Very high	81 Å²	81	43.6 Å²	43.6	35%	0.352	22%	0.221	S	C	.	.	H	α-helix	trans	-68.1	-44.5	178.7	-62.2	173.8	-169.9	164.5	0	110.9	E308 E309 G310 S315 N316 I365	E308-K312 IonicContact OE1-NZ 2.81Å; E309-K312 WeakPolarHBondContact O-CB 3.41Å; E309-K312 PolarHBondContact O-N 3.15Å; E309-K312 VanDerWaalsContact O-N 3.07Å; E309-K312 IonicContact OE1-NZ 3.77Å; E309-K312 PolarHBondContact OE1-NZ 3.28Å; E309-K312 WeakPolarHBondContact OE2-CD 3.36Å; E309-K312 IonicContact OE2-NZ 2.66Å; G310-K312 VanDerWaalsContact C-N 3.26Å; G310-K312 PolarHBondContact O-N 3.24Å; K312-S315 WeakPolarHBondContact O-CB 3.42Å; K312-S315 PolarHBondContact O-N 2.98Å; K312-N316 VanDerWaalsContact O-CG 3.31Å; K312-N316 PolarHBondContact O-N 3.07Å; K312-N316 PolarHBondContact O-ND2 3.29Å; K312-I365 HydrophobicContact CG-CD1 3.98Å
313	I	96.4	Very high	96.5	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.097	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-48.7	176.9	-67	171	0	0	0	110.7	M274 E275 V278 E309 G310 S315 N316 Y317	M274-I313 HydrophobicContact CB-CD1 4.2Å; M274-I313 HydrophobicContact CG-CD1 3.58Å; M274-I313 HydrophobicContact SD-CD1 3.25Å; M274-I313 WeakPolarHBondContact SD-CD1 3.37Å; E275-I313 HydrophobicContact CG-CD1 4.02Å; V278-I313 HydrophobicContact CB-CG2 4.29Å; V278-I313 HydrophobicContact CG1-CG2 4.25Å; V278-I313 HydrophobicContact CG2-CG2 4.24Å; E309-I313 PolarHBondContact O-N 2.68Å; G310-I313 PolarHBondContact O-N 2.91Å; I313-S315 PolarHBondContact O-N 3.44Å; I313-N316 WeakPolarHBondContact O-CB 3.47Å; I313-N316 PolarHBondContact O-N 2.98Å; I313-N316 VanDerWaalsContact O-N 3.15Å; I313-Y317 HydrophobicContact CG2-CD2 4.12Å; I313-Y317 HydrophobicContact CG2-CE2 4.18Å; I313-Y317 WeakPolarHBondContact O-CD2 3.35Å; I313-Y317 PolarHBondContact O-N 2.99Å; I313-Y317 VanDerWaalsContact O-N 3.12Å
314	M	97.4	Very high	96.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-41.2	175.9	-70.4	-170.3	78.5	0	0	111.5	V278 L285 I297 M300 Y301 L304 G310 N316 Y317 I318 L360 F366	V278-M314 HydrophobicContact CG2-CG 4.47Å; L285-M314 HydrophobicContact CD1-CE 4.09Å; L285-M314 HydrophobicContact CD2-CB 4.07Å; L285-M314 HydrophobicContact CD2-CE 4.07Å; L285-M314 HydrophobicContact CD2-CG 4.2Å; I297-M314 HydrophobicContact CG2-CE 4.02Å; M300-M314 HydrophobicContact CG-CE 4.12Å; M300-M314 HydrophobicContact CG-SD 4.45Å; M300-M314 HydrophobicContact SD-CE 4.19Å; Y301-M314 HydrophobicContact CD2-SD 4.04Å; Y301-M314 HydrophobicContact CG-SD 4.49Å; L304-M314 HydrophobicContact CB-SD 4.28Å; L304-M314 HydrophobicContact CD1-CG 3.61Å; L304-M314 HydrophobicContact CD1-SD 3.74Å; G310-M314 PolarHBondContact O-N 3.45Å; M314-N316 VanDerWaalsContact C-N 3.32Å; M314-N316 PolarHBondContact O-N 2.9Å; M314-Y317 PolarHBondContact O-N 3.16Å; M314-I318 WeakPolarHBondContact O-CB 3.39Å; M314-I318 WeakPolarHBondContact O-CD1 3.43Å; M314-I318 VanDerWaalsContact O-CG1 3.27Å; M314-I318 WeakPolarHBondContact O-CG1 3.43Å; M314-I318 PolarHBondContact O-N 3.2Å; M314-L360 HydrophobicContact CE-CD2 4.19Å; M314-F366 HydrophobicContact CB-CE1 3.85Å; M314-F366 HydrophobicContact CB-CZ 4.13Å
315	S	97.4	Very high	96.4	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-40.7	179.1	-173.7	0	0	0	0	111.5	P311 K312 I313 S319 Q369	P311-S315 VanDerWaalsContact O-CB 3.23Å; P311-S315 WeakPolarHBondContact O-CB 3.42Å; P311-S315 PolarHBondContact O-N 3.41Å; K312-S315 WeakPolarHBondContact O-CB 3.42Å; K312-S315 PolarHBondContact O-N 2.98Å; I313-S315 PolarHBondContact O-N 3.44Å; S315-S319 VanDerWaalsContact O-CB 3.32Å; S315-S319 WeakPolarHBondContact O-CB 3.33Å; S315-S319 PolarHBondContact O-N 2.83Å; S315-Q369 WeakPolarHBondContact OG-CB 3.27Å; S315-Q369 WeakPolarHBondContact OG-CG 3.47Å
316	N	97.1	Very high	96.4	Very high	94 Å²	94	49.7 Å²	49.7	50%	0.503	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-46.5	176.5	-68.9	-19.8	0	0	0	111.7	K312 I313 M314 S319 L320	K312-N316 VanDerWaalsContact O-CG 3.31Å; K312-N316 PolarHBondContact O-N 3.07Å; K312-N316 PolarHBondContact O-ND2 3.29Å; I313-N316 WeakPolarHBondContact O-CB 3.47Å; I313-N316 PolarHBondContact O-N 2.98Å; I313-N316 VanDerWaalsContact O-N 3.15Å; M314-N316 VanDerWaalsContact C-N 3.32Å; M314-N316 PolarHBondContact O-N 2.9Å; N316-S319 WeakPolarHBondContact O-CB 3.35Å; N316-S319 PolarHBondContact O-N 2.95Å; N316-L320 WeakPolarHBondContact O-CG 3.28Å; N316-L320 PolarHBondContact O-N 3.06Å
317	Y	96.8	Very high	96.3	Very high	62 Å²	62	48.1 Å²	48.1	24%	0.243	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-40.6	178.6	-87.2	-94.7	0	0	0	112.8	V278 G279 I313 M314 S319 L320 Y321	V278-Y317 HydrophobicContact CB-CD2 4.42Å; V278-Y317 HydrophobicContact CB-CE2 4.42Å; V278-Y317 HydrophobicContact CG1-CD1 4.02Å; V278-Y317 HydrophobicContact CG1-CD2 3.38Å; V278-Y317 HydrophobicContact CG1-CE1 4.4Å; V278-Y317 HydrophobicContact CG1-CE2 3.81Å; V278-Y317 HydrophobicContact CG1-CG 3.49Å; V278-Y317 VanDerWaalsContact CG1-CG 3.49Å; G279-Y317 WeakPolarHBondContact CA-OH 3.16Å; I313-Y317 HydrophobicContact CG2-CD2 4.12Å; I313-Y317 HydrophobicContact CG2-CE2 4.18Å; I313-Y317 WeakPolarHBondContact O-CD2 3.35Å; I313-Y317 PolarHBondContact O-N 2.99Å; I313-Y317 VanDerWaalsContact O-N 3.12Å; M314-Y317 PolarHBondContact O-N 3.16Å; Y317-S319 VanDerWaalsContact C-N 3.26Å; Y317-S319 PolarHBondContact O-N 3.3Å; Y317-L320 PolarHBondContact O-N 2.96Å; Y317-Y321 PolarHBondContact O-N 2.7Å
318	I	97.5	Very high	96.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-42.7	171.8	-69.6	161.9	0	0	0	109.9	L285 L289 M314 Y321 L322 L355 L360 F366 I370	L285-I318 HydrophobicContact CD2-CG1 4.09Å; L289-I318 HydrophobicContact CD1-CG1 4.05Å; M314-I318 WeakPolarHBondContact O-CB 3.39Å; M314-I318 WeakPolarHBondContact O-CD1 3.43Å; M314-I318 VanDerWaalsContact O-CG1 3.27Å; M314-I318 WeakPolarHBondContact O-CG1 3.43Å; M314-I318 PolarHBondContact O-N 3.2Å; I318-Y321 PolarHBondContact O-N 3.09Å; I318-L322 WeakPolarHBondContact O-CB 3.33Å; I318-L322 PolarHBondContact O-N 3.48Å; I318-L355 HydrophobicContact CG2-CD2 4.28Å; I318-L360 HydrophobicContact CD1-CD1 3.65Å; I318-L360 HydrophobicContact CD1-CD2 4.42Å; I318-F366 HydrophobicContact CD1-CD1 3.86Å; I318-F366 HydrophobicContact CD1-CE1 4.03Å; I318-I370 HydrophobicContact CG2-CG1 4.42Å
319	S	97.8	Very high	96	Very high	11 Å²	11	44.5 Å²	44.5	8%	0.077	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-45	178.2	-172.3	0	0	0	0	112.4	S315 N316 Y317 Y321 L322 R323 Q369 D373	S315-S319 VanDerWaalsContact O-CB 3.32Å; S315-S319 WeakPolarHBondContact O-CB 3.33Å; S315-S319 PolarHBondContact O-N 2.83Å; N316-S319 WeakPolarHBondContact O-CB 3.35Å; N316-S319 PolarHBondContact O-N 2.95Å; Y317-S319 VanDerWaalsContact C-N 3.26Å; Y317-S319 PolarHBondContact O-N 3.3Å; S319-Y321 PolarHBondContact O-N 3.09Å; S319-L322 PolarHBondContact O-N 3.06Å; S319-R323 VanDerWaalsContact O-CB 3.25Å; S319-R323 WeakPolarHBondContact O-CB 3.25Å; S319-R323 VanDerWaalsContact O-CG 3.23Å; S319-R323 WeakPolarHBondContact O-CG 3.23Å; S319-R323 PolarHBondContact O-N 2.73Å; S319-R323 PolarHBondContact OG-NE 3.47Å; S319-Q369 PolarHBondContact OG-NE2 2.65Å; S319-Q369 VanDerWaalsContact OG-NE2 3.14Å; S319-D373 WeakPolarHBondContact CA-OD2 3.19Å; S319-D373 WeakPolarHBondContact CB-OD2 3.38Å; S319-D373 PolarHBondContact OG-OD1 3Å; S319-D373 PolarHBondContact OG-OD2 3.33Å
320	L	96.5	Very high	95.7	Very high	113 Å²	113	40.6 Å²	40.6	59%	0.592	19%	0.194	S	C	*	.	H	α-helix	trans	-58.4	-49.3	176.3	-72.3	172.2	0	0	0	111.3	N316 Y317 E324	N316-L320 WeakPolarHBondContact O-CG 3.28Å; N316-L320 PolarHBondContact O-N 3.06Å; Y317-L320 PolarHBondContact O-N 2.96Å; L320-E324 WeakPolarHBondContact O-CB 3.32Å; L320-E324 PolarHBondContact O-N 2.97Å; L320-E324 VanDerWaalsContact O-N 3.09Å
321	Y	96.6	Very high	95.1	Very high	21 Å²	21	48.5 Å²	48.5	8%	0.082	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-51.8	176.5	170.7	-100.5	0	0	0	111.7	T286 L289 Y317 I318 S319 R323 E324 Q325 R351	T286-Y321 HydrophobicContact CG2-CD2 4.29Å; L289-Y321 HydrophobicContact CB-CD1 3.92Å; L289-Y321 HydrophobicContact CB-CD2 4.24Å; L289-Y321 HydrophobicContact CB-CE1 3.83Å; L289-Y321 HydrophobicContact CB-CE2 4.17Å; L289-Y321 HydrophobicContact CB-CG 4.11Å; L289-Y321 HydrophobicContact CD1-CD1 3.82Å; L289-Y321 HydrophobicContact CD1-CG 3.88Å; L289-Y321 HydrophobicContact CG-CD1 4.32Å; L289-Y321 PolarHBondContact O-OH 3.18Å; Y317-Y321 PolarHBondContact O-N 2.7Å; I318-Y321 PolarHBondContact O-N 3.09Å; S319-Y321 PolarHBondContact O-N 3.09Å; Y321-R323 PolarHBondContact O-N 3.02Å; Y321-E324 PolarHBondContact O-N 3.01Å; Y321-E324 VanDerWaalsContact O-N 3.17Å; Y321-Q325 HydrophobicContact CD1-CG 4.38Å; Y321-Q325 HydrophobicContact CD2-CG 4.15Å; Y321-Q325 HydrophobicContact CE1-CG 3.98Å; Y321-Q325 HydrophobicContact CE2-CG 3.7Å; Y321-Q325 HydrophobicContact CG-CG 4.47Å; Y321-Q325 WeakPolarHBondContact O-CG 3.18Å; Y321-Q325 PolarHBondContact O-N 3.46Å; Y321-R351 PolarHBondContact OH-NH1 2.94Å
322	L	97.2	Very high	93.9	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-37.3	-173.5	-167.7	70	0	0	0	111.9	I318 S319 E324 G326 L348 A352 I370 D373 F374 F377	I318-L322 WeakPolarHBondContact O-CB 3.33Å; I318-L322 PolarHBondContact O-N 3.48Å; S319-L322 PolarHBondContact O-N 3.06Å; L322-E324 VanDerWaalsContact C-N 3.35Å; L322-G326 WeakPolarHBondContact O-CA 3.49Å; L322-G326 PolarHBondContact O-N 2.87Å; L322-L348 HydrophobicContact CD1-CD1 3.99Å; L322-L348 HydrophobicContact CD1-CD2 4.4Å; L322-L348 HydrophobicContact CD1-CG 4.13Å; L322-A352 HydrophobicContact CD1-CB 4.35Å; L322-I370 HydrophobicContact CD2-CB 4.28Å; L322-I370 HydrophobicContact CD2-CG1 4.11Å; L322-I370 HydrophobicContact CD2-CG2 4.02Å; L322-D373 HydrophobicContact CD2-CB 4.01Å; L322-F374 HydrophobicContact CD1-CE2 4.17Å; L322-F374 HydrophobicContact CD2-CD2 4.03Å; L322-F374 HydrophobicContact CD2-CE2 3.82Å; L322-F374 HydrophobicContact CG-CE2 4.35Å; L322-F377 HydrophobicContact CG-CE1 4.1Å
323	R	97.2	Very high	92.5	Very high	72 Å²	72	52 Å²	52	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-65.9	-37.3	173	-72.9	-177.8	-178.5	-154.3	-2.5	112.1	S319 Y321 R327 D373 Y376	S319-R323 VanDerWaalsContact O-CB 3.25Å; S319-R323 WeakPolarHBondContact O-CB 3.25Å; S319-R323 VanDerWaalsContact O-CG 3.23Å; S319-R323 WeakPolarHBondContact O-CG 3.23Å; S319-R323 PolarHBondContact O-N 2.73Å; S319-R323 PolarHBondContact OG-NE 3.47Å; Y321-R323 PolarHBondContact O-N 3.02Å; R323-R327 WeakPolarHBondContact O-CB 3.18Å; R323-R327 VanDerWaalsContact O-CG 3.28Å; R323-R327 WeakPolarHBondContact O-CG 3.18Å; R323-R327 PolarHBondContact O-N 3.44Å; R323-D373 HydrophobicContact CG-CB 4.1Å; R323-D373 IonicContact CZ-OD1 3.84Å; R323-D373 VanDerWaalsContact CZ-OD1 3.29Å; R323-D373 IonicContact NE-OD1 3.16Å; R323-D373 PolarHBondContact NE-OD1 3.3Å; R323-D373 IonicContact NH2-OD1 2.84Å; R323-D373 PolarHBondContact NH2-OD1 2.85Å; R323-Y376 HydrophobicContact CG-CD1 4.08Å; R323-Y376 HydrophobicContact CG-CE1 4.44Å
324	E	95.7	Very high	91.1	Very high	79 Å²	79	54.4 Å²	54.4	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-48.9	176.5	-177.9	55.4	-154.3	0	0	111.6	L320 Y321 L322 G326 R327 N328	L320-E324 WeakPolarHBondContact O-CB 3.32Å; L320-E324 PolarHBondContact O-N 2.97Å; L320-E324 VanDerWaalsContact O-N 3.09Å; Y321-E324 PolarHBondContact O-N 3.01Å; Y321-E324 VanDerWaalsContact O-N 3.17Å; L322-E324 VanDerWaalsContact C-N 3.35Å; E324-G326 VanDerWaalsContact C-N 3.34Å; E324-G326 PolarHBondContact O-N 3.33Å; E324-R327 PolarHBondContact O-N 3.17Å; E324-R327 IonicContact OE2-CZ 2.79Å; E324-R327 IonicContact OE2-NE 3.6Å; E324-R327 PolarHBondContact OE2-NE 3.31Å; E324-R327 IonicContact OE2-NH2 2.72Å; E324-R327 PolarHBondContact OE2-NH2 3.44Å; E324-N328 PolarHBondContact O-N 3.14Å; E324-N328 PolarHBondContact O-ND2 2.86Å; E324-N328 VanDerWaalsContact O-ND2 3.14Å; E324-N328 PolarHBondContact OE1-ND2 3.43Å
325	Q	95.4	Very high	89.6	Confident	64 Å²	64	59.1 Å²	59.1	30%	0.299	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-46.8	173.9	-66.5	-58	-34.6	0	0	111.3	Y321 R327 N328 T329 L348	Y321-Q325 HydrophobicContact CD1-CG 4.38Å; Y321-Q325 HydrophobicContact CD2-CG 4.15Å; Y321-Q325 HydrophobicContact CE1-CG 3.98Å; Y321-Q325 HydrophobicContact CE2-CG 3.7Å; Y321-Q325 HydrophobicContact CG-CG 4.47Å; Y321-Q325 WeakPolarHBondContact O-CG 3.18Å; Y321-Q325 PolarHBondContact O-N 3.46Å; Q325-R327 PolarHBondContact O-N 3.32Å; Q325-N328 PolarHBondContact O-N 3.39Å; Q325-T329 PolarHBondContact O-N 3.19Å; Q325-T329 PolarHBondContact O-OG1 2.94Å; Q325-T329 VanDerWaalsContact O-OG1 3.09Å; Q325-L348 HydrophobicContact CB-CD1 4.16Å; Q325-L348 HydrophobicContact CB-CD2 4.32Å
326	G	95.3	Very high	88.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-45	177.4	0	0	0	0	0	112.8	L322 E324 N328 T329 V330	L322-G326 WeakPolarHBondContact O-CA 3.49Å; L322-G326 PolarHBondContact O-N 2.87Å; E324-G326 VanDerWaalsContact C-N 3.34Å; E324-G326 PolarHBondContact O-N 3.33Å; G326-N328 VanDerWaalsContact C-N 3.34Å; G326-N328 PolarHBondContact O-N 3.49Å; G326-T329 PolarHBondContact O-N 3.09Å; G326-V330 WeakPolarHBondContact O-CG1 3.42Å; G326-V330 WeakPolarHBondContact O-CG2 3.41Å; G326-V330 PolarHBondContact O-N 3.3Å
327	R	94.6	Very high	87.9	Confident	87 Å²	87	59.5 Å²	59.5	33%	0.328	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-46	173.9	-84.1	-171.1	-62.7	-93.6	1.7	111.8	R323 E324 Q325 T329 V330 R331 L380	R323-R327 WeakPolarHBondContact O-CB 3.18Å; R323-R327 VanDerWaalsContact O-CG 3.28Å; R323-R327 WeakPolarHBondContact O-CG 3.18Å; R323-R327 PolarHBondContact O-N 3.44Å; E324-R327 PolarHBondContact O-N 3.17Å; E324-R327 IonicContact OE2-CZ 2.79Å; E324-R327 IonicContact OE2-NE 3.6Å; E324-R327 PolarHBondContact OE2-NE 3.31Å; E324-R327 IonicContact OE2-NH2 2.72Å; E324-R327 PolarHBondContact OE2-NH2 3.44Å; Q325-R327 PolarHBondContact O-N 3.32Å; R327-T329 VanDerWaalsContact C-N 3.32Å; R327-T329 PolarHBondContact O-N 2.93Å; R327-V330 PolarHBondContact O-N 3.4Å; R327-R331 WeakPolarHBondContact O-CB 3.31Å; R327-R331 PolarHBondContact O-N 2.72Å; R327-L380 HydrophobicContact CG-CD1 3.71Å
328	N	91.9	Very high	87.3	Confident	74 Å²	74	57.9 Å²	57.9	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-37.2	-179.4	-70.7	-34	0	0	0	111.9	E324 Q325 G326	E324-N328 PolarHBondContact O-N 3.14Å; E324-N328 PolarHBondContact O-ND2 2.86Å; E324-N328 VanDerWaalsContact O-ND2 3.14Å; E324-N328 PolarHBondContact OE1-ND2 3.43Å; Q325-N328 PolarHBondContact O-N 3.39Å; G326-N328 VanDerWaalsContact C-N 3.34Å; G326-N328 PolarHBondContact O-N 3.49Å
329	T	90.3	Very high	86.9	Confident	31 Å²	31	60.4 Å²	60.4	19%	0.19	33%	0.327	C	S	.	.	H	α-helix	trans	-67.2	-41.9	174	-58	0	0	0	0	112.6	Q325 G326 R327 D344 L345	Q325-T329 PolarHBondContact O-N 3.19Å; Q325-T329 PolarHBondContact O-OG1 2.94Å; Q325-T329 VanDerWaalsContact O-OG1 3.09Å; G326-T329 PolarHBondContact O-N 3.09Å; R327-T329 VanDerWaalsContact C-N 3.32Å; R327-T329 PolarHBondContact O-N 2.93Å; T329-D344 HydrophobicContact CG2-CB 3.5Å; T329-L345 HydrophobicContact CG2-CD2 3.97Å; T329-L345 HydrophobicContact CG2-CG 3.99Å
330	V	89.6	Confident	86.6	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-84.4	-14	-174.9	-58.6	0	0	0	0	114.5	G326 R327 D332 H341 L345 F377 L380 N381	G326-V330 WeakPolarHBondContact O-CG1 3.42Å; G326-V330 WeakPolarHBondContact O-CG2 3.41Å; G326-V330 PolarHBondContact O-N 3.3Å; R327-V330 PolarHBondContact O-N 3.4Å; V330-D332 PolarHBondContact O-N 2.81Å; V330-H341 VanDerWaalsContact CA-CE1 3.44Å; V330-H341 WeakPolarHBondContact CA-CE1 3.46Å; V330-L345 HydrophobicContact CG1-CD1 4.41Å; V330-L345 HydrophobicContact CG1-CD2 3.89Å; V330-F377 HydrophobicContact CG1-CD2 4.32Å; V330-F377 WeakPolarHBondContact CG1-O 3.33Å; V330-F377 WeakPolarHBondContact CG2-O 3.23Å; V330-L380 HydrophobicContact CG2-CB 4.13Å; V330-L380 HydrophobicContact CG2-CD1 4.47Å; V330-N381 HydrophobicContact CB-CB 4.25Å
331	R	84	Confident	86.3	Confident	166 Å²	166	58.9 Å²	58.9	63%	0.626	32%	0.316	S	S	*	.	S	Bend	trans	-62.7	125.3	-178.9	-163.3	171.4	105.5	-170.8	6.3	110.3	R327 T333	R327-R331 WeakPolarHBondContact O-CB 3.31Å; R327-R331 PolarHBondContact O-N 2.72Å; R331-T333 PolarHBondContact O-N 2.83Å
332	D	70.8	Confident	86.2	Confident	91 Å²	91	58 Å²	58	49%	0.487	31%	0.313	S	S	.	.			trans	-72.1	99.9	176	-164.4	-10.9	0	0	0	109.3	V330 G334	V330-D332 PolarHBondContact O-N 2.81Å; D332-G334 WeakPolarHBondContact OD1-CA 3.4Å; D332-G334 PolarHBondContact OD1-N 3.48Å
333	T	67.5	Low	86	Confident	84 Å²	84	60.8 Å²	60.8	52%	0.515	33%	0.325	S	S	.	.			trans	-83.6	0	173.8	52.4	0	0	0	0	112.2	R331 S335	R331-T333 PolarHBondContact O-N 2.83Å; T333-S335 PolarHBondContact O-N 2.9Å; T333-S335 VanDerWaalsContact O-N 3.09Å; T333-S335 PolarHBondContact OG1-OG 2.71Å
334	G	67.2	Low	85.9	Confident	71 Å²	71	59.6 Å²	59.6	73%	0.732	32%	0.324	S	S	*	.	S	Bend	trans	72	-10.3	-175.8	0	0	0	0	0	114.6	D332	D332-G334 WeakPolarHBondContact OD1-CA 3.4Å; D332-G334 PolarHBondContact OD1-N 3.48Å
335	S	65.4	Low	85.8	Confident	99 Å²	99	55.9 Å²	55.9	69%	0.692	31%	0.307	S	S	*	.			trans	-105.7	-21.6	-177.1	60.5	0	0	0	0	114.2	T333	T333-S335 PolarHBondContact O-N 2.9Å; T333-S335 VanDerWaalsContact O-N 3.09Å; T333-S335 PolarHBondContact OG1-OG 2.71Å
336	S	72.5	Confident	85.9	Confident	40 Å²	40	53.2 Å²	53.2	28%	0.28	30%	0.295	S	S	.	.			trans	-78.9	135.7	-177.1	80.3	0	0	0	0	111.4
337	T	85.3	Confident	85.9	Confident	66 Å²	66	58.3 Å²	58.3	41%	0.405	32%	0.318	S	S	.	.			trans	-75	152.3	171.6	61.8	0	0	0	0	109.1	Q339 Q340 H341	T337-Q339 PolarHBondContact O-N 2.98Å; T337-Q340 PolarHBondContact O-N 2.92Å; T337-Q340 PolarHBondContact OG1-N 3.15Å; T337-H341 PolarHBondContact O-N 2.96Å
338	P	85.9	Confident	85.9	Confident	27 Å²	27	54.9 Å²	54.9	18%	0.175	31%	0.307	C	S	.	.	H	α-helix	trans	-49.9	-33.7	171.8	-28.7	35.5	0	0	0	112.8	I342 F387 L390	P338-I342 WeakPolarHBondContact O-CG1 3.44Å; P338-I342 PolarHBondContact O-N 2.96Å; P338-F387 HydrophobicContact CB-CB 4.13Å; P338-F387 HydrophobicContact CB-CD1 3.62Å; P338-F387 HydrophobicContact CB-CE1 4.1Å; P338-F387 HydrophobicContact CB-CG 3.89Å; P338-F387 HydrophobicContact CG-CD1 3.8Å; P338-F387 HydrophobicContact CG-CE1 3.78Å; P338-F387 HydrophobicContact CG-CG 4.48Å; P338-F387 HydrophobicContact CG-CZ 4.47Å; P338-L390 HydrophobicContact CB-CB 4.38Å; P338-L390 HydrophobicContact CB-CD1 4.13Å; P338-L390 HydrophobicContact CG-CD1 4.02Å
339	Q	88.7	Confident	86.1	Confident	57 Å²	57	52.5 Å²	52.5	27%	0.266	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-52.2	177.3	-69	71.6	13.8	0	0	112.5	T337 H341 I342 Q343 E394	T337-Q339 PolarHBondContact O-N 2.98Å; Q339-H341 VanDerWaalsContact C-N 3.29Å; Q339-H341 PolarHBondContact O-N 2.97Å; Q339-I342 PolarHBondContact O-N 2.99Å; Q339-Q343 VanDerWaalsContact O-CB 3.31Å; Q339-Q343 WeakPolarHBondContact O-CB 3.5Å; Q339-Q343 PolarHBondContact O-N 3.35Å; Q339-E394 WeakPolarHBondContact CG-OE2 3.49Å; Q339-E394 PolarHBondContact NE2-OE2 3.38Å
340	Q	90.1	Very high	86.4	Confident	90 Å²	90	53.9 Å²	53.9	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-42.6	-178.7	-168.7	61.5	45.7	0	0	110.1	T337 I342 Q343 D344	T337-Q340 PolarHBondContact O-N 2.92Å; T337-Q340 PolarHBondContact OG1-N 3.15Å; Q340-I342 PolarHBondContact O-N 3.41Å; Q340-Q343 PolarHBondContact O-N 3.29Å; Q340-Q343 VanDerWaalsContact O-N 3.13Å; Q340-D344 PolarHBondContact NE2-OD1 3.36Å; Q340-D344 WeakPolarHBondContact O-CB 3.45Å; Q340-D344 PolarHBondContact O-N 3.36Å
341	H	91.1	Very high	86.7	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.009	31%	0.309	C	S	.	.	H	α-helix	trans	-55.9	-48.3	178.1	-173.3	103	0	0	0	113.1	V330 T337 Q339 L345 N381 F387	V330-H341 VanDerWaalsContact CA-CE1 3.44Å; V330-H341 WeakPolarHBondContact CA-CE1 3.46Å; T337-H341 PolarHBondContact O-N 2.96Å; Q339-H341 VanDerWaalsContact C-N 3.29Å; Q339-H341 PolarHBondContact O-N 2.97Å; H341-L345 WeakPolarHBondContact O-CG 3.38Å; H341-L345 PolarHBondContact O-N 3.32Å; H341-N381 PolarHBondContact CE1-ND2 2.86Å; H341-F387 HydrophobicContact CB-CD2 4.11Å; H341-F387 AromaticContact CD2-CD2 3.75Å; H341-F387 AromaticContact CG-CD2 3.78Å
342	I	94.2	Very high	87.3	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-38.2	177.4	-62.1	-61.5	0	0	0	111	P338 Q339 Q340 D344 L345 L346 F387 L388 F391 L418	P338-I342 WeakPolarHBondContact O-CG1 3.44Å; P338-I342 PolarHBondContact O-N 2.96Å; Q339-I342 PolarHBondContact O-N 2.99Å; Q340-I342 PolarHBondContact O-N 3.41Å; I342-D344 VanDerWaalsContact C-N 3.34Å; I342-D344 PolarHBondContact O-N 3.5Å; I342-L345 HydrophobicContact CD1-CD1 4.41Å; I342-L345 PolarHBondContact O-N 3.22Å; I342-L346 HydrophobicContact CG2-CD1 4.18Å; I342-L346 HydrophobicContact CG2-CG 4.33Å; I342-L346 WeakPolarHBondContact O-CB 3.38Å; I342-L346 VanDerWaalsContact O-CG 3.28Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.34Å; I342-F387 HydrophobicContact CD1-CB 4.06Å; I342-F387 HydrophobicContact CG1-CB 4.05Å; I342-L388 HydrophobicContact CD1-CB 4Å; I342-L388 HydrophobicContact CD1-CD1 4.23Å; I342-L388 HydrophobicContact CG2-CD1 4.07Å; I342-F391 HydrophobicContact CB-CB 4.07Å; I342-F391 HydrophobicContact CB-CD2 3.91Å; I342-F391 HydrophobicContact CB-CE2 4.47Å; I342-F391 HydrophobicContact CB-CG 3.94Å; I342-F391 HydrophobicContact CG1-CB 4.04Å; I342-F391 HydrophobicContact CG1-CG 4.46Å; I342-F391 HydrophobicContact CG2-CB 4.05Å; I342-F391 HydrophobicContact CG2-CD1 3.78Å; I342-F391 HydrophobicContact CG2-CD2 3.95Å; I342-F391 HydrophobicContact CG2-CE1 4.16Å; I342-F391 HydrophobicContact CG2-CE2 4.3Å; I342-F391 HydrophobicContact CG2-CG 3.66Å; I342-F391 HydrophobicContact CG2-CZ 4.4Å; I342-L418 HydrophobicContact CG2-CD1 4.22Å
343	Q	93.6	Very high	88.5	Confident	66 Å²	66	47.8 Å²	47.8	31%	0.308	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-41	177.9	-172.4	61.3	57.3	0	0	112.2	Q339 Q340 L346 Q347	Q339-Q343 VanDerWaalsContact O-CB 3.31Å; Q339-Q343 WeakPolarHBondContact O-CB 3.5Å; Q339-Q343 PolarHBondContact O-N 3.35Å; Q340-Q343 PolarHBondContact O-N 3.29Å; Q340-Q343 VanDerWaalsContact O-N 3.13Å; Q343-L346 PolarHBondContact O-N 3.39Å; Q343-Q347 WeakPolarHBondContact O-CG 3.48Å; Q343-Q347 PolarHBondContact O-N 3.03Å
344	D	93.8	Very high	89.9	Confident	48 Å²	48	47.7 Å²	47.7	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-67.5	-40.8	177.9	-64.1	-21.1	0	0	0	111.2	T329 Q340 I342 L346 Q347 L348	T329-D344 HydrophobicContact CG2-CB 3.5Å; Q340-D344 PolarHBondContact NE2-OD1 3.36Å; Q340-D344 WeakPolarHBondContact O-CB 3.45Å; Q340-D344 PolarHBondContact O-N 3.36Å; I342-D344 VanDerWaalsContact C-N 3.34Å; I342-D344 PolarHBondContact O-N 3.5Å; D344-L346 VanDerWaalsContact C-N 3.32Å; D344-L346 PolarHBondContact O-N 2.96Å; D344-Q347 PolarHBondContact O-N 3.08Å; D344-L348 WeakPolarHBondContact O-CB 3.32Å; D344-L348 PolarHBondContact O-N 3.36Å
345	L	95.5	Very high	91.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-39.6	173.4	-75.6	173.7	0	0	0	112.3	T329 V330 H341 I342 R349 F377 V378 L418	T329-L345 HydrophobicContact CG2-CD2 3.97Å; T329-L345 HydrophobicContact CG2-CG 3.99Å; V330-L345 HydrophobicContact CG1-CD1 4.41Å; V330-L345 HydrophobicContact CG1-CD2 3.89Å; H341-L345 WeakPolarHBondContact O-CG 3.38Å; H341-L345 PolarHBondContact O-N 3.32Å; I342-L345 HydrophobicContact CD1-CD1 4.41Å; I342-L345 PolarHBondContact O-N 3.22Å; L345-R349 WeakPolarHBondContact O-CB 3.43Å; L345-R349 PolarHBondContact O-N 2.94Å; L345-F377 HydrophobicContact CD2-CD2 4.12Å; L345-F377 HydrophobicContact CD2-CE2 3.83Å; L345-V378 HydrophobicContact CD1-CG2 4.35Å; L345-V378 HydrophobicContact CD2-CG2 4.24Å; L345-L418 HydrophobicContact CB-CD1 4.07Å; L345-L418 HydrophobicContact CB-CD2 4.45Å
346	L	95.7	Very high	92.8	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-43.6	175.7	-73.1	179.7	0	0	0	111.8	I342 Q343 D344 R349 D350 F391 K414 L418	I342-L346 HydrophobicContact CG2-CD1 4.18Å; I342-L346 HydrophobicContact CG2-CG 4.33Å; I342-L346 WeakPolarHBondContact O-CB 3.38Å; I342-L346 VanDerWaalsContact O-CG 3.28Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.34Å; Q343-L346 PolarHBondContact O-N 3.39Å; D344-L346 VanDerWaalsContact C-N 3.32Å; D344-L346 PolarHBondContact O-N 2.96Å; L346-R349 WeakPolarHBondContact O-CB 3.26Å; L346-R349 PolarHBondContact O-N 3.14Å; L346-D350 PolarHBondContact O-N 3.08Å; L346-F391 HydrophobicContact CD1-CE1 4.12Å; L346-F391 HydrophobicContact CD1-CZ 4.09Å; L346-K414 HydrophobicContact CD2-CB 3.76Å; L346-L418 HydrophobicContact CD2-CD1 3.46Å; L346-L418 VanDerWaalsContact CD2-CD1 3.46Å; L346-L418 HydrophobicContact CD2-CG 3.83Å; L346-L418 HydrophobicContact CG-CD1 3.82Å
347	Q	95.3	Very high	93.9	Very high	106 Å²	106	42.2 Å²	42.2	50%	0.495	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-43.2	176.3	-73.6	176.1	5	0	0	111.9	Q343 D344 R349 D350 R351	Q343-Q347 WeakPolarHBondContact O-CG 3.48Å; Q343-Q347 PolarHBondContact O-N 3.03Å; D344-Q347 PolarHBondContact O-N 3.08Å; Q347-R349 PolarHBondContact O-N 2.96Å; Q347-D350 PolarHBondContact O-N 2.94Å; Q347-R351 WeakPolarHBondContact O-CB 3.46Å; Q347-R351 PolarHBondContact O-N 2.98Å
348	L	96	Very high	94.4	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-38	174.8	-173.8	60.9	0	0	0	111.1	L322 Q325 D344 A352 F374 F377	L322-L348 HydrophobicContact CD1-CD1 3.99Å; L322-L348 HydrophobicContact CD1-CD2 4.4Å; L322-L348 HydrophobicContact CD1-CG 4.13Å; Q325-L348 HydrophobicContact CB-CD1 4.16Å; Q325-L348 HydrophobicContact CB-CD2 4.32Å; D344-L348 WeakPolarHBondContact O-CB 3.32Å; D344-L348 PolarHBondContact O-N 3.36Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 2.81Å; L348-F374 HydrophobicContact CB-CZ 4.36Å; L348-F374 HydrophobicContact CD2-CZ 4.42Å; L348-F374 HydrophobicContact CG-CZ 4Å; L348-F377 HydrophobicContact CD2-CE2 4.36Å; L348-F377 HydrophobicContact CD2-CZ 4.08Å
349	R	96.7	Very high	94.9	Very high	23 Å²	23	45 Å²	45	9%	0.087	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-43.1	177.1	-172.4	67.4	-174.9	98.6	-0.7	112.6	L345 L346 Q347 A352 N353 N371 F374 V417 Y421	L345-R349 WeakPolarHBondContact O-CB 3.43Å; L345-R349 PolarHBondContact O-N 2.94Å; L346-R349 WeakPolarHBondContact O-CB 3.26Å; L346-R349 PolarHBondContact O-N 3.14Å; Q347-R349 PolarHBondContact O-N 2.96Å; R349-A352 PolarHBondContact O-N 2.95Å; R349-N353 VanDerWaalsContact CZ-OD1 3.29Å; R349-N353 PolarHBondContact NH1-OD1 3.41Å; R349-N353 PolarHBondContact NH2-OD1 2.83Å; R349-N353 PolarHBondContact O-N 2.93Å; R349-N371 PolarHBondContact NH2-OD1 2.96Å; R349-F374 HydrophobicContact CB-CE1 3.71Å; R349-F374 HydrophobicContact CB-CZ 3.78Å; R349-F374 HydrophobicContact CG-CE1 4.29Å; R349-F374 HydrophobicContact CG-CZ 4.32Å; R349-V417 HydrophobicContact CG-CG1 4.44Å; R349-Y421 PolarHBondContact NE-OH 3.03Å; R349-Y421 PolarHBondContact NH2-OH 2.99Å
350	D	95.9	Very high	95.3	Very high	60 Å²	60	42.3 Å²	42.3	32%	0.321	20%	0.201	S	C	.	.	H	α-helix	trans	-60.5	-47.7	176.4	-72.5	-24.6	0	0	0	110.1	L346 Q347 A352 N353 E354 K414	L346-D350 PolarHBondContact O-N 3.08Å; Q347-D350 PolarHBondContact O-N 2.94Å; D350-A352 PolarHBondContact O-N 2.92Å; D350-N353 WeakPolarHBondContact O-CB 3.39Å; D350-N353 PolarHBondContact O-N 3Å; D350-N353 VanDerWaalsContact O-N 3.15Å; D350-E354 PolarHBondContact O-N 3.32Å; D350-K414 VanDerWaalsContact CG-NZ 3.28Å; D350-K414 WeakPolarHBondContact OD1-CE 3.44Å; D350-K414 IonicContact OD1-NZ 3.59Å; D350-K414 PolarHBondContact OD1-NZ 3.34Å; D350-K414 VanDerWaalsContact OD1-NZ 3.12Å; D350-K414 IonicContact OD2-NZ 3.94Å; D350-K414 PolarHBondContact OD2-NZ 3.48Å
351	R	96	Very high	95.5	Very high	69 Å²	69	43.6 Å²	43.6	26%	0.26	21%	0.211	S	C	.	.	H	α-helix	trans	-59.3	-42.8	176.1	-168.7	179.6	-176.3	-179	7.4	112.5	L289 T290 D292 Y321 Q347 N353 E354 L355	L289-R351 PolarHBondContact O-NH2 3.32Å; T290-R351 PolarHBondContact O-NH2 3.41Å; D292-R351 IonicContact OD1-CZ 3.79Å; D292-R351 IonicContact OD1-NE 3.39Å; D292-R351 PolarHBondContact OD1-NE 2.94Å; D292-R351 IonicContact OD1-NH2 2.66Å; D292-R351 PolarHBondContact OD1-NH2 3.28Å; D292-R351 IonicContact OD2-CZ 3.96Å; D292-R351 IonicContact OD2-NE 2.74Å; D292-R351 PolarHBondContact OD2-NE 2.73Å; D292-R351 IonicContact OD2-NH2 3.6Å; D292-R351 PolarHBondContact OD2-NH2 3.23Å; Y321-R351 PolarHBondContact OH-NH1 2.94Å; Q347-R351 WeakPolarHBondContact O-CB 3.46Å; Q347-R351 PolarHBondContact O-N 2.98Å; R351-N353 PolarHBondContact O-N 3.49Å; R351-E354 PolarHBondContact O-N 3.14Å; R351-L355 PolarHBondContact O-N 3.38Å
352	A	96.8	Very high	95.6	Very high	6 Å²	6	46.9 Å²	46.9	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-34.6	176.5	0	0	0	0	0	113.1	L322 L348 R349 D350 L356 I370 F374	L322-A352 HydrophobicContact CD1-CB 4.35Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 2.81Å; R349-A352 PolarHBondContact O-N 2.95Å; D350-A352 PolarHBondContact O-N 2.92Å; A352-L356 WeakPolarHBondContact O-CB 3.17Å; A352-L356 PolarHBondContact O-N 3.47Å; A352-L356 VanDerWaalsContact O-N 3.08Å; A352-I370 HydrophobicContact CB-CG2 4.08Å; A352-F374 HydrophobicContact CB-CE2 3.91Å; A352-F374 HydrophobicContact CB-CZ 4.37Å
353	N	95.4	Very high	95.7	Very high	62 Å²	62	50.5 Å²	50.5	33%	0.332	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-37.6	173.5	-90.3	-15.8	0	0	0	112.2	R349 D350 R351 L356 T357	R349-N353 VanDerWaalsContact CZ-OD1 3.29Å; R349-N353 PolarHBondContact NH1-OD1 3.41Å; R349-N353 PolarHBondContact NH2-OD1 2.83Å; R349-N353 PolarHBondContact O-N 2.93Å; D350-N353 WeakPolarHBondContact O-CB 3.39Å; D350-N353 PolarHBondContact O-N 3Å; D350-N353 VanDerWaalsContact O-N 3.15Å; R351-N353 PolarHBondContact O-N 3.49Å; N353-L356 PolarHBondContact O-N 3.2Å; N353-T357 WeakPolarHBondContact O-CB 2.83Å; N353-T357 PolarHBondContact O-N 3.49Å; N353-T357 PolarHBondContact O-OG1 2.86Å
354	E	96.1	Very high	95.8	Very high	82 Å²	82	51 Å²	51	38%	0.383	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-46.3	175.6	-174.6	170.1	-168.6	0	0	111.1	F294 D350 R351 L356 T357 R358	F294-E354 HydrophobicContact CD2-CG 4.28Å; F294-E354 HydrophobicContact CE2-CG 3.81Å; F294-E354 HydrophobicContact CZ-CG 4.27Å; D350-E354 PolarHBondContact O-N 3.32Å; R351-E354 PolarHBondContact O-N 3.14Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.3Å; E354-T357 PolarHBondContact O-N 3.46Å; E354-R358 HydrophobicContact CG-CG 4.01Å; E354-R358 WeakPolarHBondContact O-CB 3.44Å; E354-R358 PolarHBondContact O-N 3.04Å; E354-R358 WeakPolarHBondContact OE1-CD 3.34Å; E354-R358 IonicContact OE1-CZ 2.81Å; E354-R358 IonicContact OE1-NE 3.59Å; E354-R358 IonicContact OE1-NH1 3.43Å; E354-R358 PolarHBondContact OE1-NH1 3.05Å
355	L	97.2	Very high	96	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-51.6	-51	170.8	172.9	68.2	0	0	0	111.5	L289 F294 I297 I318 R351 T357 A359 L360	L289-L355 HydrophobicContact CD2-CD1 3.77Å; L289-L355 HydrophobicContact CD2-CD2 3.53Å; L289-L355 HydrophobicContact CD2-CG 4.29Å; F294-L355 HydrophobicContact CD1-CB 4.32Å; F294-L355 HydrophobicContact CD1-CD1 3.89Å; F294-L355 HydrophobicContact CE1-CB 3.84Å; F294-L355 HydrophobicContact CE1-CD1 4.01Å; I297-L355 HydrophobicContact CD1-CD1 3.72Å; I297-L355 HydrophobicContact CG2-CD1 4.04Å; I318-L355 HydrophobicContact CG2-CD2 4.28Å; R351-L355 PolarHBondContact O-N 3.38Å; L355-T357 VanDerWaalsContact C-N 3.29Å; L355-T357 PolarHBondContact O-N 3.18Å; L355-A359 HydrophobicContact CD1-CB 4.11Å; L355-A359 WeakPolarHBondContact O-CB 3.47Å; L355-A359 PolarHBondContact O-N 3.05Å; L355-L360 HydrophobicContact CD1-CD1 4.28Å; L355-L360 HydrophobicContact CD1-CG 4.47Å; L355-L360 HydrophobicContact CD2-CD1 4.2Å; L355-L360 HydrophobicContact CG-CD1 3.84Å; L355-L360 HydrophobicContact CG-CG 4.42Å; L355-L360 PolarHBondContact O-N 3.21Å
356	L	96.7	Very high	96.1	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-40	-177.7	-174.7	68.6	0	0	0	112	A352 N353 E354 L360 N361 N362 F366 R367 I370	A352-L356 WeakPolarHBondContact O-CB 3.17Å; A352-L356 PolarHBondContact O-N 3.47Å; A352-L356 VanDerWaalsContact O-N 3.08Å; N353-L356 PolarHBondContact O-N 3.2Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.3Å; L356-L360 HydrophobicContact CD1-CB 4.4Å; L356-L360 CarbonylContact O-C 3.54Å; L356-N361 PolarHBondContact O-N 3.01Å; L356-N362 WeakPolarHBondContact CG-OD1 3.48Å; L356-N362 PolarHBondContact O-N 3.45Å; L356-F366 HydrophobicContact CD1-CB 3.81Å; L356-R367 HydrophobicContact CD1-CB 4.24Å; L356-R367 HydrophobicContact CD2-CB 3.87Å; L356-R367 HydrophobicContact CD2-CG 3.96Å; L356-I370 HydrophobicContact CB-CD1 4.45Å; L356-I370 HydrophobicContact CD1-CD1 4.44Å
357	T	96.4	Very high	96.1	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-80.9	-45.6	-176	-52.8	0	0	0	0	112.2	N353 E354 L355	N353-T357 WeakPolarHBondContact O-CB 2.83Å; N353-T357 PolarHBondContact O-N 3.49Å; N353-T357 PolarHBondContact O-OG1 2.86Å; E354-T357 PolarHBondContact O-N 3.46Å; L355-T357 VanDerWaalsContact C-N 3.29Å; L355-T357 PolarHBondContact O-N 3.18Å
358	R	96	Very high	96.2	Very high	151 Å²	151	55.8 Å²	55.8	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-84	-31.1	-172.6	-67.8	-177.5	65.4	-174.1	-6	113.6	F294 E354	F294-R358 HydrophobicContact CB-CB 4.34Å; E354-R358 HydrophobicContact CG-CG 4.01Å; E354-R358 WeakPolarHBondContact O-CB 3.44Å; E354-R358 PolarHBondContact O-N 3.04Å; E354-R358 WeakPolarHBondContact OE1-CD 3.34Å; E354-R358 IonicContact OE1-CZ 2.81Å; E354-R358 IonicContact OE1-NE 3.59Å; E354-R358 IonicContact OE1-NH1 3.43Å; E354-R358 PolarHBondContact OE1-NH1 3.05Å
359	A	96.7	Very high	96.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.008	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-26.8	-171.5	0	0	0	0	0	114.7	F294 I297 A298 L355	F294-A359 HydrophobicContact CB-CB 4.37Å; F294-A359 WeakPolarHBondContact O-CB 3.19Å; I297-A359 HydrophobicContact CB-CB 3.89Å; I297-A359 HydrophobicContact CG2-CB 3.76Å; A298-A359 WeakPolarHBondContact CA-O 3.34Å; A298-A359 HydrophobicContact CB-CB 4.24Å; L355-A359 HydrophobicContact CD1-CB 4.11Å; L355-A359 WeakPolarHBondContact O-CB 3.47Å; L355-A359 PolarHBondContact O-N 3.05Å
360	L	96.8	Very high	96.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-117.4	14.2	-169.5	-55.5	174.8	0	0	0	113.8	I297 Y301 M314 I318 L355 L356 N362 Q363 F366	I297-L360 HydrophobicContact CG2-CD2 4.1Å; Y301-L360 HydrophobicContact CD2-CD2 4.32Å; Y301-L360 HydrophobicContact CG-CD2 4.17Å; M314-L360 HydrophobicContact CE-CD2 4.19Å; I318-L360 HydrophobicContact CD1-CD1 3.65Å; I318-L360 HydrophobicContact CD1-CD2 4.42Å; L355-L360 HydrophobicContact CD1-CD1 4.28Å; L355-L360 HydrophobicContact CD1-CG 4.47Å; L355-L360 HydrophobicContact CD2-CD1 4.2Å; L355-L360 HydrophobicContact CG-CD1 3.84Å; L355-L360 HydrophobicContact CG-CG 4.42Å; L355-L360 PolarHBondContact O-N 3.21Å; L356-L360 HydrophobicContact CD1-CB 4.4Å; L356-L360 CarbonylContact O-C 3.54Å; L360-N362 PolarHBondContact O-N 3.46Å; L360-Q363 WeakPolarHBondContact O-CG 3.44Å; L360-Q363 PolarHBondContact O-N 3.37Å; L360-Q363 VanDerWaalsContact O-N 3.08Å; L360-F366 HydrophobicContact CB-CD2 3.68Å; L360-F366 HydrophobicContact CB-CE2 4.06Å; L360-F366 HydrophobicContact CB-CG 4.37Å; L360-F366 HydrophobicContact CD1-CB 3.99Å; L360-F366 HydrophobicContact CD1-CD1 4.18Å; L360-F366 HydrophobicContact CD1-CD2 3.9Å; L360-F366 HydrophobicContact CD1-CE2 4.45Å; L360-F366 HydrophobicContact CD1-CG 3.77Å; L360-F366 HydrophobicContact CD2-CD2 4.18Å; L360-F366 HydrophobicContact CD2-CE2 3.92Å; L360-F366 HydrophobicContact CD2-CZ 4.13Å; L360-F366 HydrophobicContact CG-CD2 4.13Å; L360-F366 HydrophobicContact CG-CE2 4.36Å; L360-F366 HydrophobicContact CG-CG 4.49Å
361	N	93.8	Very high	96.4	Very high	118 Å²	118	55.6 Å²	55.6	63%	0.631	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	31.7	175.8	-65.3	-22.7	0	0	0	114.9	Y301 L356 Q363	Y301-N361 HydrophobicContact CE1-CB 4.38Å; L356-N361 PolarHBondContact O-N 3.01Å; N361-Q363 PolarHBondContact O-N 2.83Å; N361-Q363 VanDerWaalsContact O-N 3.14Å
362	N	94	Very high	96.5	Very high	70 Å²	70	55 Å²	55	37%	0.374	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	29.1	-177.3	-77.1	-59.1	0	0	0	115.3	L356 L360	L356-N362 WeakPolarHBondContact CG-OD1 3.48Å; L356-N362 PolarHBondContact O-N 3.45Å; L360-N362 PolarHBondContact O-N 3.46Å
363	Q	95.4	Very high	96.5	Very high	80 Å²	80	54.7 Å²	54.7	37%	0.374	28%	0.276	S	S	.	.			trans	-60	141.9	179	-75.7	-74.9	20	0	0	112.5	Y301 L360 N361 I365 F366 R367	Y301-Q363 VanDerWaalsContact OH-CG 3.26Å; Y301-Q363 WeakPolarHBondContact OH-CG 3.44Å; Y301-Q363 PolarHBondContact OH-NE2 3.13Å; L360-Q363 WeakPolarHBondContact O-CG 3.44Å; L360-Q363 PolarHBondContact O-N 3.37Å; L360-Q363 VanDerWaalsContact O-N 3.08Å; N361-Q363 PolarHBondContact O-N 2.83Å; N361-Q363 VanDerWaalsContact O-N 3.14Å; Q363-I365 VanDerWaalsContact C-N 3.35Å; Q363-I365 HydrophobicContact CB-CG2 4.31Å; Q363-I365 PolarHBondContact O-N 3.33Å; Q363-F366 HydrophobicContact CB-CD2 3.76Å; Q363-F366 HydrophobicContact CB-CE2 4.14Å; Q363-F366 PolarHBondContact O-N 3.46Å; Q363-R367 PolarHBondContact O-N 2.91Å; Q363-R367 VanDerWaalsContact O-N 3.12Å
364	T	96.3	Very high	96.6	Very high	77 Å²	77	51.8 Å²	51.8	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-37.4	-174	53.7	0	0	0	0	112.6	R367 N368	T364-R367 PolarHBondContact O-N 3Å; T364-N368 VanDerWaalsContact O-CB 3.32Å; T364-N368 WeakPolarHBondContact O-CB 3.35Å; T364-N368 PolarHBondContact O-N 2.91Å; T364-N368 PolarHBondContact O-ND2 3.12Å; T364-N368 PolarHBondContact O-OD1 2.98Å
365	I	96.5	Very high	96.7	Very high	60 Å²	60	51.9 Å²	51.9	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-57.3	-52.2	179	-170.8	171.6	0	0	0	111.5	P311 K312 Q363 N368 Q369	P311-I365 HydrophobicContact CB-CG2 4.38Å; K312-I365 HydrophobicContact CG-CD1 3.98Å; Q363-I365 VanDerWaalsContact C-N 3.35Å; Q363-I365 HydrophobicContact CB-CG2 4.31Å; Q363-I365 PolarHBondContact O-N 3.33Å; I365-N368 PolarHBondContact O-N 3.33Å; I365-Q369 WeakPolarHBondContact O-CB 3.21Å; I365-Q369 PolarHBondContact O-N 3.47Å
366	F	97.9	Very high	96.6	Very high	1 Å²	1	55.9 Å²	55.9	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-40.1	179.5	-55.2	-62.6	0	0	0	111.9	Y301 P311 M314 I318 L356 L360 Q363 N368 Q369 I370	Y301-F366 AromaticContact CD2-CE2 3.84Å; Y301-F366 HydrophobicContact CD2-CE2 3.84Å; Y301-F366 AromaticContact CD2-CZ 3.95Å; Y301-F366 HydrophobicContact CD2-CZ 3.95Å; Y301-F366 AromaticContact CE2-CE2 3.6Å; Y301-F366 HydrophobicContact CE2-CE2 3.6Å; Y301-F366 AromaticContact CE2-CZ 3.99Å; Y301-F366 HydrophobicContact CE2-CZ 3.99Å; P311-F366 HydrophobicContact CB-CZ 4.11Å; P311-F366 VanDerWaalsContact O-CE1 3.31Å; P311-F366 WeakPolarHBondContact O-CE1 3.41Å; M314-F366 HydrophobicContact CB-CE1 3.85Å; M314-F366 HydrophobicContact CB-CZ 4.13Å; I318-F366 HydrophobicContact CD1-CD1 3.86Å; I318-F366 HydrophobicContact CD1-CE1 4.03Å; L356-F366 HydrophobicContact CD1-CB 3.81Å; L360-F366 HydrophobicContact CB-CD2 3.68Å; L360-F366 HydrophobicContact CB-CE2 4.06Å; L360-F366 HydrophobicContact CB-CG 4.37Å; L360-F366 HydrophobicContact CD1-CB 3.99Å; L360-F366 HydrophobicContact CD1-CD1 4.18Å; L360-F366 HydrophobicContact CD1-CD2 3.9Å; L360-F366 HydrophobicContact CD1-CE2 4.45Å; L360-F366 HydrophobicContact CD1-CG 3.77Å; L360-F366 HydrophobicContact CD2-CD2 4.18Å; L360-F366 HydrophobicContact CD2-CE2 3.92Å; L360-F366 HydrophobicContact CD2-CZ 4.13Å; L360-F366 HydrophobicContact CG-CD2 4.13Å; L360-F366 HydrophobicContact CG-CE2 4.36Å; L360-F366 HydrophobicContact CG-CG 4.49Å; Q363-F366 HydrophobicContact CB-CD2 3.76Å; Q363-F366 HydrophobicContact CB-CE2 4.14Å; Q363-F366 PolarHBondContact O-N 3.46Å; F366-N368 VanDerWaalsContact C-N 3.32Å; F366-N368 PolarHBondContact O-N 3.17Å; F366-Q369 PolarHBondContact O-N 3.41Å; F366-I370 WeakPolarHBondContact O-CB 3.31Å; F366-I370 WeakPolarHBondContact O-CG1 3.5Å; F366-I370 PolarHBondContact O-N 3.09Å
367	R	97.2	Very high	96.6	Very high	104 Å²	104	55.7 Å²	55.7	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-44.7	177.7	-174.9	171.5	65.2	-148.6	3.5	111.6	L356 Q363 T364 N371	L356-R367 HydrophobicContact CD1-CB 4.24Å; L356-R367 HydrophobicContact CD2-CB 3.87Å; L356-R367 HydrophobicContact CD2-CG 3.96Å; Q363-R367 PolarHBondContact O-N 2.91Å; Q363-R367 VanDerWaalsContact O-N 3.12Å; T364-R367 PolarHBondContact O-N 3Å; R367-N371 WeakPolarHBondContact O-CB 3.42Å; R367-N371 PolarHBondContact O-N 2.94Å; R367-N371 PolarHBondContact O-ND2 3.42Å; R367-N371 VanDerWaalsContact O-ND2 3.17Å
368	N	97	Very high	96.5	Very high	98 Å²	98	52 Å²	52	52%	0.524	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-42.5	178.8	-68.8	-10.4	0	0	0	111.1	T364 I365 F366 N371 S372	T364-N368 VanDerWaalsContact O-CB 3.32Å; T364-N368 WeakPolarHBondContact O-CB 3.35Å; T364-N368 PolarHBondContact O-N 2.91Å; T364-N368 PolarHBondContact O-ND2 3.12Å; T364-N368 PolarHBondContact O-OD1 2.98Å; I365-N368 PolarHBondContact O-N 3.33Å; F366-N368 VanDerWaalsContact C-N 3.32Å; F366-N368 PolarHBondContact O-N 3.17Å; N368-N371 PolarHBondContact O-N 3.38Å; N368-S372 WeakPolarHBondContact O-CB 3.47Å; N368-S372 PolarHBondContact O-N 2.91Å
369	Q	97.6	Very high	96.4	Very high	46 Å²	46	46.6 Å²	46.6	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-49.6	176.6	-172.4	60.8	57.7	0	0	111.8	S315 S319 I365 F366 N371 S372 D373	S315-Q369 WeakPolarHBondContact OG-CB 3.27Å; S315-Q369 WeakPolarHBondContact OG-CG 3.47Å; S319-Q369 PolarHBondContact OG-NE2 2.65Å; S319-Q369 VanDerWaalsContact OG-NE2 3.14Å; I365-Q369 WeakPolarHBondContact O-CB 3.21Å; I365-Q369 PolarHBondContact O-N 3.47Å; F366-Q369 PolarHBondContact O-N 3.41Å; Q369-N371 VanDerWaalsContact C-N 3.33Å; Q369-N371 PolarHBondContact O-N 3.5Å; Q369-S372 WeakPolarHBondContact O-CB 3.38Å; Q369-S372 PolarHBondContact O-N 3.46Å; Q369-S372 VanDerWaalsContact O-N 3.14Å; Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 PolarHBondContact NE2-OD2 3.13Å; Q369-D373 PolarHBondContact O-N 3.2Å
370	I	97.7	Very high	96.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-47.9	176.6	-70.7	168.2	0	0	0	110.2	I318 L322 A352 L356 F366 S372 D373 F374	I318-I370 HydrophobicContact CG2-CG1 4.42Å; L322-I370 HydrophobicContact CD2-CB 4.28Å; L322-I370 HydrophobicContact CD2-CG1 4.11Å; L322-I370 HydrophobicContact CD2-CG2 4.02Å; A352-I370 HydrophobicContact CB-CG2 4.08Å; L356-I370 HydrophobicContact CB-CD1 4.45Å; L356-I370 HydrophobicContact CD1-CD1 4.44Å; F366-I370 WeakPolarHBondContact O-CB 3.31Å; F366-I370 WeakPolarHBondContact O-CG1 3.5Å; F366-I370 PolarHBondContact O-N 3.09Å; I370-S372 VanDerWaalsContact C-N 3.33Å; I370-S372 PolarHBondContact O-N 3.45Å; I370-D373 PolarHBondContact O-N 3.34Å; I370-F374 HydrophobicContact CG2-CD2 3.77Å; I370-F374 HydrophobicContact CG2-CE2 3.88Å; I370-F374 WeakPolarHBondContact O-CD2 3.47Å; I370-F374 PolarHBondContact O-N 2.69Å
371	N	97	Very high	96	Very high	48 Å²	48	51 Å²	51	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-43	177.9	-74.5	-28.1	0	0	0	112.3	R349 R367 N368 Q369 D373 F374 E375 Y421	R349-N371 PolarHBondContact NH2-OD1 2.96Å; R367-N371 WeakPolarHBondContact O-CB 3.42Å; R367-N371 PolarHBondContact O-N 2.94Å; R367-N371 PolarHBondContact O-ND2 3.42Å; R367-N371 VanDerWaalsContact O-ND2 3.17Å; N368-N371 PolarHBondContact O-N 3.38Å; Q369-N371 VanDerWaalsContact C-N 3.33Å; Q369-N371 PolarHBondContact O-N 3.5Å; N371-D373 VanDerWaalsContact C-N 3.32Å; N371-D373 PolarHBondContact O-N 2.94Å; N371-F374 PolarHBondContact O-N 3.12Å; N371-E375 PolarHBondContact O-N 2.91Å; N371-Y421 HydrophobicContact CB-CE1 4.1Å; N371-Y421 PolarHBondContact OD1-OH 3.32Å
372	S	97.4	Very high	95.8	Very high	56 Å²	56	48.9 Å²	48.9	39%	0.392	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-37.8	176.6	-178.4	0	0	0	0	112.1	N368 Q369 I370 E375 Y376	N368-S372 WeakPolarHBondContact O-CB 3.47Å; N368-S372 PolarHBondContact O-N 2.91Å; Q369-S372 WeakPolarHBondContact O-CB 3.38Å; Q369-S372 PolarHBondContact O-N 3.46Å; Q369-S372 VanDerWaalsContact O-N 3.14Å; I370-S372 VanDerWaalsContact C-N 3.33Å; I370-S372 PolarHBondContact O-N 3.45Å; S372-E375 PolarHBondContact O-N 2.98Å; S372-Y376 WeakPolarHBondContact O-CB 3.46Å; S372-Y376 PolarHBondContact O-N 3.03Å
373	D	97.9	Very high	95.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.7	-42.9	179.4	-65.5	-26.3	0	0	0	111.5	S319 L322 R323 Q369 I370 N371 E375 Y376 F377	S319-D373 WeakPolarHBondContact CA-OD2 3.19Å; S319-D373 WeakPolarHBondContact CB-OD2 3.38Å; S319-D373 PolarHBondContact OG-OD1 3Å; S319-D373 PolarHBondContact OG-OD2 3.33Å; L322-D373 HydrophobicContact CD2-CB 4.01Å; R323-D373 HydrophobicContact CG-CB 4.1Å; R323-D373 IonicContact CZ-OD1 3.84Å; R323-D373 VanDerWaalsContact CZ-OD1 3.29Å; R323-D373 IonicContact NE-OD1 3.16Å; R323-D373 PolarHBondContact NE-OD1 3.3Å; R323-D373 IonicContact NH2-OD1 2.84Å; R323-D373 PolarHBondContact NH2-OD1 2.85Å; Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 PolarHBondContact NE2-OD2 3.13Å; Q369-D373 PolarHBondContact O-N 3.2Å; I370-D373 PolarHBondContact O-N 3.34Å; N371-D373 VanDerWaalsContact C-N 3.32Å; N371-D373 PolarHBondContact O-N 2.94Å; D373-E375 VanDerWaalsContact C-N 3.34Å; D373-E375 PolarHBondContact O-N 2.7Å; D373-Y376 WeakPolarHBondContact O-CB 3.43Å; D373-Y376 PolarHBondContact O-N 3.47Å; D373-Y376 VanDerWaalsContact O-N 3.09Å; D373-F377 HydrophobicContact CB-CE1 4.24Å; D373-F377 WeakPolarHBondContact O-CD1 3.43Å; D373-F377 WeakPolarHBondContact O-CE1 3.48Å; D373-F377 WeakPolarHBondContact O-CG 3.44Å; D373-F377 PolarHBondContact O-N 3.24Å
374	F	98	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-43.8	171.7	-90.2	-89.9	0	0	0	112	L322 L348 R349 A352 I370 N371 Y376 F377 V378 L418 Y421	L322-F374 HydrophobicContact CD1-CE2 4.17Å; L322-F374 HydrophobicContact CD2-CD2 4.03Å; L322-F374 HydrophobicContact CD2-CE2 3.82Å; L322-F374 HydrophobicContact CG-CE2 4.35Å; L348-F374 HydrophobicContact CB-CZ 4.36Å; L348-F374 HydrophobicContact CD2-CZ 4.42Å; L348-F374 HydrophobicContact CG-CZ 4Å; R349-F374 HydrophobicContact CB-CE1 3.71Å; R349-F374 HydrophobicContact CB-CZ 3.78Å; R349-F374 HydrophobicContact CG-CE1 4.29Å; R349-F374 HydrophobicContact CG-CZ 4.32Å; A352-F374 HydrophobicContact CB-CE2 3.91Å; A352-F374 HydrophobicContact CB-CZ 4.37Å; I370-F374 HydrophobicContact CG2-CD2 3.77Å; I370-F374 HydrophobicContact CG2-CE2 3.88Å; I370-F374 WeakPolarHBondContact O-CD2 3.47Å; I370-F374 PolarHBondContact O-N 2.69Å; N371-F374 PolarHBondContact O-N 3.12Å; F374-Y376 VanDerWaalsContact C-N 3.3Å; F374-Y376 PolarHBondContact O-N 3.09Å; F374-F377 VanDerWaalsContact CA-CZ 3.47Å; F374-F377 HydrophobicContact CB-CE2 4.43Å; F374-F377 HydrophobicContact CB-CZ 4.03Å; F374-F377 AromaticContact CD1-CE2 3.54Å; F374-F377 HydrophobicContact CD1-CE2 3.54Å; F374-F377 AromaticContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD2-CE1 4.33Å; F374-F377 AromaticContact CD2-CZ 3.77Å; F374-F377 HydrophobicContact CD2-CZ 3.77Å; F374-F377 AromaticContact CE1-CE2 3.83Å; F374-F377 HydrophobicContact CE1-CE2 3.83Å; F374-F377 AromaticContact CE1-CZ 3.58Å; F374-F377 HydrophobicContact CE1-CZ 3.58Å; F374-F377 AromaticContact CE2-CZ 3.97Å; F374-F377 HydrophobicContact CE2-CZ 3.97Å; F374-F377 HydrophobicContact CG-CE1 4.22Å; F374-F377 HydrophobicContact CG-CE2 4.01Å; F374-F377 AromaticContact CG-CZ 3.45Å; F374-F377 HydrophobicContact CG-CZ 3.45Å; F374-F377 VanDerWaalsContact CG-CZ 3.45Å; F374-F377 AromaticContact CZ-CZ 3.85Å; F374-F377 HydrophobicContact CZ-CZ 3.85Å; F374-V378 WeakPolarHBondContact O-CB 3.48Å; F374-V378 WeakPolarHBondContact O-CG2 3.45Å; F374-V378 PolarHBondContact O-N 3.44Å; F374-L418 HydrophobicContact CD1-CD2 4.44Å; F374-Y421 HydrophobicContact CB-CD1 4.25Å; F374-Y421 HydrophobicContact CB-CD2 3.68Å; F374-Y421 HydrophobicContact CB-CE1 4.16Å; F374-Y421 HydrophobicContact CB-CE2 3.59Å; F374-Y421 HydrophobicContact CB-CG 4.04Å; F374-Y421 HydrophobicContact CD1-CD2 4.31Å; F374-Y421 HydrophobicContact CD1-CE2 4.08Å; F374-Y421 HydrophobicContact CG-CD2 4.32Å; F374-Y421 AromaticContact CG-CE2 3.94Å; F374-Y421 HydrophobicContact CG-CE2 3.94Å
375	E	96.2	Very high	95.4	Very high	85 Å²	85	41.4 Å²	41.4	40%	0.397	21%	0.206	S	C	.	.	H	α-helix	trans	-59.7	-41.6	172.7	-171.1	179.6	167.8	0	0	111.7	N371 S372 D373 N379 Y421	N371-E375 PolarHBondContact O-N 2.91Å; S372-E375 PolarHBondContact O-N 2.98Å; D373-E375 VanDerWaalsContact C-N 3.34Å; D373-E375 PolarHBondContact O-N 2.7Å; E375-N379 PolarHBondContact O-ND2 3.04Å; E375-Y421 HydrophobicContact CB-CD1 4.36Å
376	Y	96.4	Very high	95.2	Very high	93 Å²	93	38.7 Å²	38.7	37%	0.365	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-58.2	178.2	169.7	-100.3	0	0	0	112.4	R323 S372 D373 F374 L380	R323-Y376 HydrophobicContact CG-CD1 4.08Å; R323-Y376 HydrophobicContact CG-CE1 4.44Å; S372-Y376 WeakPolarHBondContact O-CB 3.46Å; S372-Y376 PolarHBondContact O-N 3.03Å; D373-Y376 WeakPolarHBondContact O-CB 3.43Å; D373-Y376 PolarHBondContact O-N 3.47Å; D373-Y376 VanDerWaalsContact O-N 3.09Å; F374-Y376 VanDerWaalsContact C-N 3.3Å; F374-Y376 PolarHBondContact O-N 3.09Å; Y376-L380 HydrophobicContact CD1-CD1 4.47Å; Y376-L380 HydrophobicContact CE1-CD1 3.87Å; Y376-L380 HydrophobicContact CE1-CG 4.48Å; Y376-L380 HydrophobicContact CE2-CD2 4.26Å
377	F	95.7	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-78.3	-30.9	-171.4	57.5	-109.8	0	0	0	113.7	L322 V330 L345 L348 D373 F374 N379 L380	L322-F377 HydrophobicContact CG-CE1 4.1Å; V330-F377 HydrophobicContact CG1-CD2 4.32Å; V330-F377 WeakPolarHBondContact CG1-O 3.33Å; V330-F377 WeakPolarHBondContact CG2-O 3.23Å; L345-F377 HydrophobicContact CD2-CD2 4.12Å; L345-F377 HydrophobicContact CD2-CE2 3.83Å; L348-F377 HydrophobicContact CD2-CE2 4.36Å; L348-F377 HydrophobicContact CD2-CZ 4.08Å; D373-F377 HydrophobicContact CB-CE1 4.24Å; D373-F377 WeakPolarHBondContact O-CD1 3.43Å; D373-F377 WeakPolarHBondContact O-CE1 3.48Å; D373-F377 WeakPolarHBondContact O-CG 3.44Å; D373-F377 PolarHBondContact O-N 3.24Å; F374-F377 VanDerWaalsContact CA-CZ 3.47Å; F374-F377 HydrophobicContact CB-CE2 4.43Å; F374-F377 HydrophobicContact CB-CZ 4.03Å; F374-F377 AromaticContact CD1-CE2 3.54Å; F374-F377 HydrophobicContact CD1-CE2 3.54Å; F374-F377 AromaticContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD2-CE1 4.33Å; F374-F377 AromaticContact CD2-CZ 3.77Å; F374-F377 HydrophobicContact CD2-CZ 3.77Å; F374-F377 AromaticContact CE1-CE2 3.83Å; F374-F377 HydrophobicContact CE1-CE2 3.83Å; F374-F377 AromaticContact CE1-CZ 3.58Å; F374-F377 HydrophobicContact CE1-CZ 3.58Å; F374-F377 AromaticContact CE2-CZ 3.97Å; F374-F377 HydrophobicContact CE2-CZ 3.97Å; F374-F377 HydrophobicContact CG-CE1 4.22Å; F374-F377 HydrophobicContact CG-CE2 4.01Å; F374-F377 AromaticContact CG-CZ 3.45Å; F374-F377 HydrophobicContact CG-CZ 3.45Å; F374-F377 VanDerWaalsContact CG-CZ 3.45Å; F374-F377 AromaticContact CZ-CZ 3.85Å; F374-F377 HydrophobicContact CZ-CZ 3.85Å; F377-N379 PolarHBondContact O-N 3.09Å; F377-L380 HydrophobicContact CB-CD1 4.18Å; F377-L380 WeakPolarHBondContact O-CB 3.13Å; F377-L380 PolarHBondContact O-N 2.68Å; F377-L380 VanDerWaalsContact O-N 3.09Å
378	V	95.4	Very high	95	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-34.5	176.2	169.9	0	0	0	0	110.9	L345 F374 S384 L422	L345-V378 HydrophobicContact CD1-CG2 4.35Å; L345-V378 HydrophobicContact CD2-CG2 4.24Å; F374-V378 WeakPolarHBondContact O-CB 3.48Å; F374-V378 WeakPolarHBondContact O-CG2 3.45Å; F374-V378 PolarHBondContact O-N 3.44Å; V378-S384 VanDerWaalsContact O-CB 3.29Å; V378-S384 WeakPolarHBondContact O-CB 3.29Å; V378-S384 PolarHBondContact O-OG 3.4Å; V378-L422 HydrophobicContact CG1-CD2 3.65Å
379	N	94.3	Very high	94.9	Very high	37 Å²	37	29.5 Å²	29.5	20%	0.198	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.3	179.4	-65.6	-66.6	0	0	0	114.4	E375 F377 N381 Y421 Q423	E375-N379 PolarHBondContact O-ND2 3.04Å; F377-N379 PolarHBondContact O-N 3.09Å; N379-N381 VanDerWaalsContact C-N 3.26Å; N379-N381 PolarHBondContact O-N 3.04Å; N379-Y421 PolarHBondContact ND2-O 2.9Å; N379-Q423 PolarHBondContact OD1-N 2.7Å
380	L	93.7	Very high	94.6	Very high	80 Å²	80	29 Å²	29	42%	0.419	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.4	171.5	-68.7	176.5	0	0	0	112.1	R327 V330 Y376 F377 P382	R327-L380 HydrophobicContact CG-CD1 3.71Å; V330-L380 HydrophobicContact CG2-CB 4.13Å; V330-L380 HydrophobicContact CG2-CD1 4.47Å; Y376-L380 HydrophobicContact CD1-CD1 4.47Å; Y376-L380 HydrophobicContact CE1-CD1 3.87Å; Y376-L380 HydrophobicContact CE1-CG 4.48Å; Y376-L380 HydrophobicContact CE2-CD2 4.26Å; F377-L380 HydrophobicContact CB-CD1 4.18Å; F377-L380 WeakPolarHBondContact O-CB 3.13Å; F377-L380 PolarHBondContact O-N 2.68Å; F377-L380 VanDerWaalsContact O-N 3.09Å; L380-P382 WeakPolarHBondContact O-CD 3.32Å
381	N	90.9	Very high	94.4	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.064	15%	0.15	C	C	.	.	S	Bend	trans	-94.5	111.5	173.4	-177.9	-0.4	0	0	0	110.4	V330 H341 N379 R383 S384	V330-N381 HydrophobicContact CB-CB 4.25Å; H341-N381 PolarHBondContact CE1-ND2 2.86Å; N379-N381 VanDerWaalsContact C-N 3.26Å; N379-N381 PolarHBondContact O-N 3.04Å; N381-R383 PolarHBondContact O-N 3.43Å; N381-R383 WeakPolarHBondContact OD1-CB 3.44Å; N381-R383 PolarHBondContact OD1-N 3.39Å; N381-S384 WeakPolarHBondContact O-CB 3.2Å; N381-S384 PolarHBondContact O-N 3Å; N381-S384 PolarHBondContact O-OG 2.93Å
382	P	89	Confident	94.3	Very high	75 Å²	75	27.1 Å²	27.1	49%	0.487	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-3.3	179.2	29.9	-36.6	0	0	0	113.5	L380 R737	L380-P382 WeakPolarHBondContact O-CD 3.32Å; P382-R737 PolarHBondContact O-NH2 3.38Å
383	R	90.6	Very high	94	Very high	63 Å²	63	24.8 Å²	24.8	24%	0.238	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.9	174.7	-56.8	-177	67.5	-168.2	-0.1	113.3	N381 P385 E386 F387	N381-R383 PolarHBondContact O-N 3.43Å; N381-R383 WeakPolarHBondContact OD1-CB 3.44Å; N381-R383 PolarHBondContact OD1-N 3.39Å; R383-P385 VanDerWaalsContact C-CD 3.45Å; R383-P385 VanDerWaalsContact C-N 3.31Å; R383-E386 IonicContact CZ-OE2 2.93Å; R383-E386 IonicContact NE-OE2 3.84Å; R383-E386 PolarHBondContact NE-OE2 3.4Å; R383-E386 IonicContact NH2-OE1 3.58Å; R383-E386 IonicContact NH2-OE2 3.6Å; R383-E386 PolarHBondContact NH2-OE2 3.43Å; R383-E386 WeakPolarHBondContact O-CA 3.32Å; R383-E386 VanDerWaalsContact O-CB 3.32Å; R383-E386 WeakPolarHBondContact O-CB 2.86Å; R383-E386 PolarHBondContact O-N 2.7Å; R383-F387 HydrophobicContact CB-CD1 4.22Å; R383-F387 HydrophobicContact CB-CD2 4.39Å; R383-F387 HydrophobicContact CB-CE1 3.92Å; R383-F387 HydrophobicContact CB-CE2 4.1Å; R383-F387 HydrophobicContact CB-CG 4.47Å; R383-F387 HydrophobicContact CB-CZ 3.86Å; R383-F387 VanDerWaalsContact CZ-CE1 3.42Å; R383-F387 WeakPolarHBondContact O-CG 3.47Å; R383-F387 PolarHBondContact O-N 3.44Å
384	S	93	Very high	93.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-50.9	-42.2	177.4	-62.1	0	0	0	0	113.7	V378 N381 E386 F387 L388	V378-S384 VanDerWaalsContact O-CB 3.29Å; V378-S384 WeakPolarHBondContact O-CB 3.29Å; V378-S384 PolarHBondContact O-OG 3.4Å; N381-S384 WeakPolarHBondContact O-CB 3.2Å; N381-S384 PolarHBondContact O-N 3Å; N381-S384 PolarHBondContact O-OG 2.93Å; S384-E386 PolarHBondContact O-N 3.19Å; S384-F387 PolarHBondContact O-N 2.98Å; S384-L388 WeakPolarHBondContact O-CB 3.45Å; S384-L388 PolarHBondContact O-N 3.22Å
385	P	94.4	Very high	93	Very high	4 Å²	4	30 Å²	30	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-39.7	174	-24.8	35.6	0	0	0	114.1	R383 S389 L422 E424 L427 F428	R383-P385 VanDerWaalsContact C-CD 3.45Å; R383-P385 VanDerWaalsContact C-N 3.31Å; P385-S389 WeakPolarHBondContact O-CB 3.46Å; P385-S389 PolarHBondContact O-N 3.28Å; P385-L422 HydrophobicContact CB-CD1 4.46Å; P385-L422 HydrophobicContact CG-CD2 4.24Å; P385-E424 HydrophobicContact CG-CB 4.34Å; P385-L427 HydrophobicContact CB-CB 4.37Å; P385-L427 HydrophobicContact CB-CD2 4.43Å; P385-L427 HydrophobicContact CB-CG 4.35Å; P385-L427 HydrophobicContact CG-CD2 4.32Å; P385-F428 HydrophobicContact CB-CB 3.99Å; P385-F428 WeakPolarHBondContact O-CD2 3.49Å
386	E	92.8	Very high	92.7	Very high	3 Å²	3	26 Å²	26	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-47.9	176.9	-177.3	-166.4	179	0	0	110.3	R383 S384 S389 L390 Y431 R733	R383-E386 IonicContact CZ-OE2 2.93Å; R383-E386 IonicContact NE-OE2 3.84Å; R383-E386 PolarHBondContact NE-OE2 3.4Å; R383-E386 IonicContact NH2-OE1 3.58Å; R383-E386 IonicContact NH2-OE2 3.6Å; R383-E386 PolarHBondContact NH2-OE2 3.43Å; R383-E386 WeakPolarHBondContact O-CA 3.32Å; R383-E386 VanDerWaalsContact O-CB 3.32Å; R383-E386 WeakPolarHBondContact O-CB 2.86Å; R383-E386 PolarHBondContact O-N 2.7Å; S384-E386 PolarHBondContact O-N 3.19Å; E386-S389 WeakPolarHBondContact O-CB 3.28Å; E386-S389 PolarHBondContact O-N 2.96Å; E386-L390 HydrophobicContact CG-CD1 4.05Å; E386-L390 WeakPolarHBondContact O-CG 3.43Å; E386-L390 PolarHBondContact O-N 3.35Å; E386-Y431 HydrophobicContact CB-CD2 3.82Å; E386-Y431 HydrophobicContact CB-CE1 4.4Å; E386-Y431 HydrophobicContact CB-CE2 3.64Å; E386-Y431 HydrophobicContact CB-CG 4.27Å; E386-Y431 HydrophobicContact CG-CD1 4.19Å; E386-Y431 HydrophobicContact CG-CD2 4.37Å; E386-Y431 HydrophobicContact CG-CE1 4.11Å; E386-Y431 HydrophobicContact CG-CE2 4.25Å; E386-Y431 HydrophobicContact CG-CG 4.36Å; E386-R733 IonicContact OE1-CZ 2.76Å; E386-R733 IonicContact OE1-NH1 2.82Å; E386-R733 PolarHBondContact OE1-NH1 3.47Å; E386-R733 WeakPolarHBondContact OE2-CD 3.25Å; E386-R733 IonicContact OE2-NH1 2.66Å
387	F	93.7	Very high	92.1	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-43	-176.3	-69	-5.6	0	0	0	112.1	P338 H341 I342 R383 S384 S389 L390 F391	P338-F387 HydrophobicContact CB-CB 4.13Å; P338-F387 HydrophobicContact CB-CD1 3.62Å; P338-F387 HydrophobicContact CB-CE1 4.1Å; P338-F387 HydrophobicContact CB-CG 3.89Å; P338-F387 HydrophobicContact CG-CD1 3.8Å; P338-F387 HydrophobicContact CG-CE1 3.78Å; P338-F387 HydrophobicContact CG-CG 4.48Å; P338-F387 HydrophobicContact CG-CZ 4.47Å; H341-F387 HydrophobicContact CB-CD2 4.11Å; H341-F387 AromaticContact CD2-CD2 3.75Å; H341-F387 AromaticContact CG-CD2 3.78Å; I342-F387 HydrophobicContact CD1-CB 4.06Å; I342-F387 HydrophobicContact CG1-CB 4.05Å; R383-F387 HydrophobicContact CB-CD1 4.22Å; R383-F387 HydrophobicContact CB-CD2 4.39Å; R383-F387 HydrophobicContact CB-CE1 3.92Å; R383-F387 HydrophobicContact CB-CE2 4.1Å; R383-F387 HydrophobicContact CB-CG 4.47Å; R383-F387 HydrophobicContact CB-CZ 3.86Å; R383-F387 VanDerWaalsContact CZ-CE1 3.42Å; R383-F387 WeakPolarHBondContact O-CG 3.47Å; R383-F387 PolarHBondContact O-N 3.44Å; S384-F387 PolarHBondContact O-N 2.98Å; F387-S389 VanDerWaalsContact C-N 3.29Å; F387-S389 PolarHBondContact O-N 3.45Å; F387-L390 PolarHBondContact O-N 3.18Å; F387-F391 WeakPolarHBondContact O-CB 3.48Å; F387-F391 PolarHBondContact O-N 2.71Å
388	L	95.9	Very high	90.9	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-42.3	175.3	-174.3	60.6	0	0	0	111	I342 S384 F391 I392 C415 F419 L422 F428	I342-L388 HydrophobicContact CD1-CB 4Å; I342-L388 HydrophobicContact CD1-CD1 4.23Å; I342-L388 HydrophobicContact CG2-CD1 4.07Å; S384-L388 WeakPolarHBondContact O-CB 3.45Å; S384-L388 PolarHBondContact O-N 3.22Å; L388-F391 PolarHBondContact O-N 3.23Å; L388-I392 HydrophobicContact CD1-CD1 4.26Å; L388-I392 HydrophobicContact CG-CD1 4.04Å; L388-I392 WeakPolarHBondContact O-CD1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.32Å; L388-I392 PolarHBondContact O-N 2.64Å; L388-I392 VanDerWaalsContact O-N 3.08Å; L388-C415 HydrophobicContact CD1-CB 4.13Å; L388-F419 HydrophobicContact CD2-CB 3.97Å; L388-L422 HydrophobicContact CD2-CD1 3.78Å; L388-F428 HydrophobicContact CB-CD2 4.27Å; L388-F428 HydrophobicContact CB-CE2 4.16Å; L388-F428 HydrophobicContact CD2-CD2 4.25Å; L388-F428 HydrophobicContact CD2-CE2 4.04Å; L388-F428 HydrophobicContact CG-CD2 4.35Å; L388-F428 HydrophobicContact CG-CE2 3.89Å
389	S	95.2	Very high	89.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-42.8	177.2	-173.8	0	0	0	0	112.6	P385 E386 F387 I392 D393 Y432 H435	P385-S389 WeakPolarHBondContact O-CB 3.46Å; P385-S389 PolarHBondContact O-N 3.28Å; E386-S389 WeakPolarHBondContact O-CB 3.28Å; E386-S389 PolarHBondContact O-N 2.96Å; F387-S389 VanDerWaalsContact C-N 3.29Å; F387-S389 PolarHBondContact O-N 3.45Å; S389-I392 PolarHBondContact O-N 3.43Å; S389-D393 VanDerWaalsContact O-CB 3.27Å; S389-D393 WeakPolarHBondContact O-CB 3.46Å; S389-D393 PolarHBondContact O-N 2.91Å; S389-Y432 WeakPolarHBondContact OG-CA 3.45Å; S389-Y432 PolarHBondContact OG-N 3.22Å; S389-Y432 VanDerWaalsContact OG-N 3.07Å; S389-H435 PolarHBondContact OG-ND1 2.81Å
390	L	92.4	Very high	87.8	Confident	37 Å²	37	37.9 Å²	37.9	19%	0.194	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-38.9	176.3	-75.8	169.7	0	0	0	112.5	P338 E386 F387 D393 E394 H435	P338-L390 HydrophobicContact CB-CB 4.38Å; P338-L390 HydrophobicContact CB-CD1 4.13Å; P338-L390 HydrophobicContact CG-CD1 4.02Å; E386-L390 HydrophobicContact CG-CD1 4.05Å; E386-L390 WeakPolarHBondContact O-CG 3.43Å; E386-L390 PolarHBondContact O-N 3.35Å; F387-L390 PolarHBondContact O-N 3.18Å; L390-D393 PolarHBondContact O-N 3.22Å; L390-E394 PolarHBondContact O-N 2.98Å; L390-H435 VanDerWaalsContact CD2-CE1 3.47Å; L390-H435 WeakPolarHBondContact CD2-CE1 3.08Å; L390-H435 WeakPolarHBondContact CD2-NE2 3.36Å
391	F	93.3	Very high	86.1	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-48.8	176.4	-178	-94.1	0	0	0	111	I342 L346 F387 L388 D393 E394 K395 I411	I342-F391 HydrophobicContact CB-CB 4.07Å; I342-F391 HydrophobicContact CB-CD2 3.91Å; I342-F391 HydrophobicContact CB-CE2 4.47Å; I342-F391 HydrophobicContact CB-CG 3.94Å; I342-F391 HydrophobicContact CG1-CB 4.04Å; I342-F391 HydrophobicContact CG1-CG 4.46Å; I342-F391 HydrophobicContact CG2-CB 4.05Å; I342-F391 HydrophobicContact CG2-CD1 3.78Å; I342-F391 HydrophobicContact CG2-CD2 3.95Å; I342-F391 HydrophobicContact CG2-CE1 4.16Å; I342-F391 HydrophobicContact CG2-CE2 4.3Å; I342-F391 HydrophobicContact CG2-CG 3.66Å; I342-F391 HydrophobicContact CG2-CZ 4.4Å; L346-F391 HydrophobicContact CD1-CE1 4.12Å; L346-F391 HydrophobicContact CD1-CZ 4.09Å; F387-F391 WeakPolarHBondContact O-CB 3.48Å; F387-F391 PolarHBondContact O-N 2.71Å; L388-F391 PolarHBondContact O-N 3.23Å; F391-D393 PolarHBondContact O-N 3.49Å; F391-E394 PolarHBondContact O-N 2.84Å; F391-K395 HydrophobicContact CD1-CG 4.5Å; F391-K395 HydrophobicContact CE1-CG 4.26Å; F391-K395 WeakPolarHBondContact O-CG 3.34Å; F391-K395 PolarHBondContact O-N 2.85Å; F391-I411 HydrophobicContact CE1-CG2 3.88Å
392	I	93.8	Very high	84.5	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-41.5	177.2	-62.8	159.3	0	0	0	110.9	L388 S389 E394 K395 L396 F412 C415 F428 Y432 M454	L388-I392 HydrophobicContact CD1-CD1 4.26Å; L388-I392 HydrophobicContact CG-CD1 4.04Å; L388-I392 WeakPolarHBondContact O-CD1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.32Å; L388-I392 PolarHBondContact O-N 2.64Å; L388-I392 VanDerWaalsContact O-N 3.08Å; S389-I392 PolarHBondContact O-N 3.43Å; I392-E394 VanDerWaalsContact C-N 3.28Å; I392-E394 PolarHBondContact O-N 2.87Å; I392-K395 PolarHBondContact O-N 3.37Å; I392-L396 HydrophobicContact CG2-CD1 3.69Å; I392-L396 HydrophobicContact CG2-CG 4.45Å; I392-L396 PolarHBondContact O-N 2.9Å; I392-F412 HydrophobicContact CG2-CE1 4.27Å; I392-C415 HydrophobicContact CD1-CB 4.23Å; I392-C415 HydrophobicContact CG1-CB 4.26Å; I392-F428 HydrophobicContact CD1-CE2 3.97Å; I392-F428 HydrophobicContact CD1-CZ 3.87Å; I392-Y432 HydrophobicContact CG2-CE2 3.87Å; I392-M454 HydrophobicContact CD1-CE 3.69Å; I392-M454 HydrophobicContact CG2-CE 4.48Å; I392-M454 HydrophobicContact CG2-CG 4.24Å; I392-M454 HydrophobicContact CG2-SD 4.32Å
393	D	90.9	Very high	83.4	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-38.1	176.2	174	57.4	0	0	0	112.7	S389 L390 F391 L396 K397 H435 R439	S389-D393 VanDerWaalsContact O-CB 3.27Å; S389-D393 WeakPolarHBondContact O-CB 3.46Å; S389-D393 PolarHBondContact O-N 2.91Å; L390-D393 PolarHBondContact O-N 3.22Å; F391-D393 PolarHBondContact O-N 3.49Å; D393-L396 PolarHBondContact O-N 3.44Å; D393-K397 VanDerWaalsContact CG-CE 3.47Å; D393-K397 VanDerWaalsContact O-CG 3.3Å; D393-K397 WeakPolarHBondContact O-CG 3.43Å; D393-K397 PolarHBondContact O-N 2.97Å; D393-K397 VanDerWaalsContact OD1-CE 3.31Å; D393-K397 WeakPolarHBondContact OD1-CE 3.42Å; D393-K397 IonicContact OD1-NZ 3.8Å; D393-K397 WeakPolarHBondContact OD2-CE 3.44Å; D393-K397 IonicContact OD2-NZ 3.18Å; D393-K397 PolarHBondContact OD2-NZ 3.46Å; D393-H435 HydrophobicContact CB-CB 3.97Å; D393-R439 VanDerWaalsContact OD1-CD 3.27Å; D393-R439 WeakPolarHBondContact OD1-CD 3.39Å; D393-R439 WeakPolarHBondContact OD1-CG 3.42Å; D393-R439 IonicContact OD1-CZ 3.94Å; D393-R439 IonicContact OD1-NE 3.29Å; D393-R439 IonicContact OD1-NH1 2.68Å; D393-R439 PolarHBondContact OD1-NH1 3.01Å
394	E	88.4	Confident	82.4	Confident	64 Å²	64	46 Å²	46	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-69	-41.8	175.3	-173.8	-179.3	159.4	0	0	112.8	Q339 L390 F391 I392 L396 K397 T400	Q339-E394 WeakPolarHBondContact CG-OE2 3.49Å; Q339-E394 PolarHBondContact NE2-OE2 3.38Å; L390-E394 PolarHBondContact O-N 2.98Å; F391-E394 PolarHBondContact O-N 2.84Å; I392-E394 VanDerWaalsContact C-N 3.28Å; I392-E394 PolarHBondContact O-N 2.87Å; E394-L396 PolarHBondContact O-N 2.76Å; E394-K397 PolarHBondContact O-N 2.88Å; E394-T400 HydrophobicContact CG-CG2 3.97Å; E394-T400 PolarHBondContact O-OG1 2.76Å
395	K	87.7	Confident	81.4	Confident	44 Å²	44	50.4 Å²	50.4	19%	0.191	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-24.5	177.5	-61.9	-57.7	-178.1	179.8	0	112.8	F391 I392 I411 F412	F391-K395 HydrophobicContact CD1-CG 4.5Å; F391-K395 HydrophobicContact CE1-CG 4.26Å; F391-K395 WeakPolarHBondContact O-CG 3.34Å; F391-K395 PolarHBondContact O-N 2.85Å; I392-K395 PolarHBondContact O-N 3.37Å; K395-I411 HydrophobicContact CG-CG2 4.49Å; K395-F412 HydrophobicContact CB-CE1 4.5Å
396	L	89.1	Confident	80.3	Confident	2 Å²	2	58 Å²	58	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-92.5	-9.6	178.7	-74	167.3	0	0	0	114.6	I392 D393 E394 F412 Q446 Q450 E451	I392-L396 HydrophobicContact CG2-CD1 3.69Å; I392-L396 HydrophobicContact CG2-CG 4.45Å; I392-L396 PolarHBondContact O-N 2.9Å; D393-L396 PolarHBondContact O-N 3.44Å; E394-L396 PolarHBondContact O-N 2.76Å; L396-F412 HydrophobicContact CD1-CZ 4.39Å; L396-F412 HydrophobicContact CD2-CE2 4.22Å; L396-F412 HydrophobicContact CD2-CZ 3.56Å; L396-F412 HydrophobicContact CG-CE1 4.42Å; L396-F412 HydrophobicContact CG-CZ 3.88Å; L396-Q446 WeakPolarHBondContact O-CB 3.47Å; L396-Q446 PolarHBondContact O-N 2.94Å; L396-Q450 HydrophobicContact CD2-CB 3.92Å; L396-E451 HydrophobicContact CD2-CG 4.31Å
397	K	84	Confident	79.9	Confident	77 Å²	77	62 Å²	62	34%	0.335	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-78.5	142.1	-178.7	-86.3	169.1	-173	161.7	0	112.3	D393 E394 G399 T400 R439 K444	D393-K397 VanDerWaalsContact CG-CE 3.47Å; D393-K397 VanDerWaalsContact O-CG 3.3Å; D393-K397 WeakPolarHBondContact O-CG 3.43Å; D393-K397 PolarHBondContact O-N 2.97Å; D393-K397 VanDerWaalsContact OD1-CE 3.31Å; D393-K397 WeakPolarHBondContact OD1-CE 3.42Å; D393-K397 IonicContact OD1-NZ 3.8Å; D393-K397 WeakPolarHBondContact OD2-CE 3.44Å; D393-K397 IonicContact OD2-NZ 3.18Å; D393-K397 PolarHBondContact OD2-NZ 3.46Å; E394-K397 PolarHBondContact O-N 2.88Å; K397-G399 PolarHBondContact O-N 3.06Å; K397-T400 PolarHBondContact O-OG1 3.41Å; K397-R439 HydrophobicContact CG-CG 4.41Å; K397-K444 CarbonylContact C-O 3.59Å; K397-K444 WeakPolarHBondContact CA-O 3.46Å
398	R	70.1	Confident	79.4	Confident	187 Å²	187	61.9 Å²	61.9	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	123.3	172.1	-173	179.7	-85.9	-167.5	-8.1	110.4	K444	R398-K444 WeakPolarHBondContact CB-O 3.07Å; R398-K444 PolarHBondContact N-O 2.97Å
399	G	62.9	Low	79	Confident	77 Å²	77	64.2 Å²	64.2	79%	0.794	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.7	-4.1	173.9	0	0	0	0	0	115.5	K397	K397-G399 PolarHBondContact O-N 3.06Å
400	T	62.7	Low	78.8	Confident	42 Å²	42	66.7 Å²	66.7	26%	0.258	37%	0.371	S	S	.	.	S	Bend	trans	-64.7	137.8	159.1	-8.3	0	0	0	0	107.5	E394 K397 G402	E394-T400 HydrophobicContact CG-CG2 3.97Å; E394-T400 PolarHBondContact O-OG1 2.76Å; K397-T400 PolarHBondContact O-OG1 3.41Å; T400-G402 PolarHBondContact O-N 3.47Å
401	K	58.6	Low	78.7	Confident	199 Å²	199	66.4 Å²	66.4	87%	0.865	37%	0.37	S	S	*	.			trans	-38.8	114.9	-177.5	-78.9	179.8	176.2	178.7	0	109.1	M403	K401-M403 WeakPolarHBondContact O-CG 3.42Å; K401-M403 PolarHBondContact O-N 3.04Å
402	G	56.2	Low	78.7	Confident	75 Å²	75	66.2 Å²	66.2	77%	0.773	37%	0.369	S	S	*	.			trans	-53.6	104.5	-170.6	0	0	0	0	0	110.8	T400	T400-G402 PolarHBondContact O-N 3.47Å
403	M	66.3	Low	78.8	Confident	70 Å²	70	69.9 Å²	69.9	35%	0.345	39%	0.388	S	S	.	.			trans	-83.4	145.3	170.2	-59.1	-174.2	74.9	0	0	107.2	K401 D407 V408 I411	K401-M403 WeakPolarHBondContact O-CG 3.42Å; K401-M403 PolarHBondContact O-N 3.04Å; M403-D407 HydrophobicContact CB-CB 4.34Å; M403-D407 HydrophobicContact CE-CB 4.04Å; M403-V408 HydrophobicContact CB-CG2 3.92Å; M403-I411 HydrophobicContact CE-CD1 3.61Å; M403-I411 HydrophobicContact SD-CD1 4.03Å
404	A	69.9	Low	79	Confident	58 Å²	58	73.5 Å²	73.5	48%	0.479	40%	0.404	S	S	.	.			trans	-61.8	149.7	172.8	0	0	0	0	0	109.3	Q406 D407 V408	A404-Q406 PolarHBondContact O-N 2.9Å; A404-Q406 VanDerWaalsContact O-N 3.09Å; A404-D407 PolarHBondContact O-N 3.29Å; A404-V408 PolarHBondContact O-N 3.42Å
405	D	71.3	Confident	79.4	Confident	94 Å²	94	70.5 Å²	70.5	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-55.3	-32.4	-177.6	-78.3	-39.4	0	0	0	113	V408 D409 Q450	D405-V408 PolarHBondContact O-N 3.26Å; D405-D409 PolarHBondContact O-N 3.32Å; D405-Q450 PolarHBondContact O-NE2 3.21Å; D405-Q450 PolarHBondContact OD1-NE2 3.32Å; D405-Q450 VanDerWaalsContact OD1-NE2 3.13Å
406	Q	72.3	Confident	79.8	Confident	164 Å²	164	68.7 Å²	68.7	77%	0.766	38%	0.382	S	S	*	.	H	α-helix	trans	-67.8	-38	177.2	-69.2	-179.3	-8.5	0	0	113	A404 V408 D409 A410	A404-Q406 PolarHBondContact O-N 2.9Å; A404-Q406 VanDerWaalsContact O-N 3.09Å; Q406-V408 VanDerWaalsContact C-N 3.28Å; Q406-V408 PolarHBondContact O-N 2.89Å; Q406-D409 PolarHBondContact O-N 3.13Å; Q406-A410 PolarHBondContact O-N 3.37Å
407	D	82.5	Confident	80.1	Confident	86 Å²	86	70 Å²	70	46%	0.46	39%	0.39	S	S	.	.	H	α-helix	trans	-68.7	-32.9	179.7	-61.1	-34.7	0	0	0	111.1	M403 A404 I411	M403-D407 HydrophobicContact CB-CB 4.34Å; M403-D407 HydrophobicContact CE-CB 4.04Å; A404-D407 PolarHBondContact O-N 3.29Å; D407-I411 VanDerWaalsContact O-CG1 3.31Å; D407-I411 WeakPolarHBondContact O-CG1 3.16Å; D407-I411 PolarHBondContact O-N 2.83Å
408	V	84.1	Confident	80.7	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.03	38%	0.375	C	S	.	.	H	α-helix	trans	-68.4	-43.5	177.6	179	0	0	0	0	110.8	M403 A404 D405 Q406 A410 I411 F412	M403-V408 HydrophobicContact CB-CG2 3.92Å; A404-V408 PolarHBondContact O-N 3.42Å; D405-V408 PolarHBondContact O-N 3.26Å; Q406-V408 VanDerWaalsContact C-N 3.28Å; Q406-V408 PolarHBondContact O-N 2.89Å; V408-A410 PolarHBondContact O-N 3.35Å; V408-I411 WeakPolarHBondContact O-CB 3.17Å; V408-I411 PolarHBondContact O-N 3.49Å; V408-F412 HydrophobicContact CG1-CD1 4.44Å; V408-F412 HydrophobicContact CG1-CD2 4.29Å; V408-F412 HydrophobicContact CG1-CE1 3.75Å; V408-F412 HydrophobicContact CG1-CE2 3.59Å; V408-F412 HydrophobicContact CG1-CZ 3.26Å; V408-F412 WeakPolarHBondContact O-CG 3.46Å; V408-F412 PolarHBondContact O-N 3.26Å
409	D	87.6	Confident	81.9	Confident	52 Å²	52	57.8 Å²	57.8	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-41.7	179.2	-167.1	41.4	0	0	0	112	D405 Q406 I411 F412 D413 I453 K457	D405-D409 PolarHBondContact O-N 3.32Å; Q406-D409 PolarHBondContact O-N 3.13Å; D409-I411 VanDerWaalsContact C-N 3.29Å; D409-I411 PolarHBondContact O-N 3.27Å; D409-F412 WeakPolarHBondContact O-CA 3.41Å; D409-F412 WeakPolarHBondContact O-CB 3.49Å; D409-F412 PolarHBondContact O-N 2.79Å; D409-D413 PolarHBondContact O-N 2.78Å; D409-I453 WeakPolarHBondContact OD1-CG2 3.33Å; D409-K457 WeakPolarHBondContact OD1-CE 3.44Å; D409-K457 IonicContact OD1-NZ 3.09Å; D409-K457 PolarHBondContact OD1-NZ 3.45Å; D409-K457 IonicContact OD2-NZ 3.47Å
410	A	90.4	Very high	83.5	Confident	52 Å²	52	59.6 Å²	59.6	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-36.5	174.6	0	0	0	0	0	112.4	Q406 V408 F412 D413 K414	Q406-A410 PolarHBondContact O-N 3.37Å; V408-A410 PolarHBondContact O-N 3.35Å; A410-F412 VanDerWaalsContact C-N 3.35Å; A410-D413 PolarHBondContact O-N 2.97Å; A410-K414 WeakPolarHBondContact O-CG 3.32Å; A410-K414 PolarHBondContact O-N 3.23Å
411	I	90.9	Very high	85	Confident	31 Å²	31	58.3 Å²	58.3	16%	0.159	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-38.5	173.3	-69.8	167.4	0	0	0	110.7	F391 K395 M403 D407 V408 D409 K414 C415	F391-I411 HydrophobicContact CE1-CG2 3.88Å; K395-I411 HydrophobicContact CG-CG2 4.49Å; M403-I411 HydrophobicContact CE-CD1 3.61Å; M403-I411 HydrophobicContact SD-CD1 4.03Å; D407-I411 VanDerWaalsContact O-CG1 3.31Å; D407-I411 WeakPolarHBondContact O-CG1 3.16Å; D407-I411 PolarHBondContact O-N 2.83Å; V408-I411 WeakPolarHBondContact O-CB 3.17Å; V408-I411 PolarHBondContact O-N 3.49Å; D409-I411 VanDerWaalsContact C-N 3.29Å; D409-I411 PolarHBondContact O-N 3.27Å; I411-K414 PolarHBondContact O-N 3.26Å; I411-C415 PolarHBondContact O-N 3.19Å; I411-C415 PolarHBondContact O-SG 3.39Å
412	F	93.7	Very high	86.8	Confident	1 Å²	1	49 Å²	49	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-42.2	176.6	-65	-16.2	0	0	0	111.8	I392 K395 L396 V408 D409 A410 K414 C415 I416 Q450 M454 K457	I392-F412 HydrophobicContact CG2-CE1 4.27Å; K395-F412 HydrophobicContact CB-CE1 4.5Å; L396-F412 HydrophobicContact CD1-CZ 4.39Å; L396-F412 HydrophobicContact CD2-CE2 4.22Å; L396-F412 HydrophobicContact CD2-CZ 3.56Å; L396-F412 HydrophobicContact CG-CE1 4.42Å; L396-F412 HydrophobicContact CG-CZ 3.88Å; V408-F412 HydrophobicContact CG1-CD1 4.44Å; V408-F412 HydrophobicContact CG1-CD2 4.29Å; V408-F412 HydrophobicContact CG1-CE1 3.75Å; V408-F412 HydrophobicContact CG1-CE2 3.59Å; V408-F412 HydrophobicContact CG1-CZ 3.26Å; V408-F412 WeakPolarHBondContact O-CG 3.46Å; V408-F412 PolarHBondContact O-N 3.26Å; D409-F412 WeakPolarHBondContact O-CA 3.41Å; D409-F412 WeakPolarHBondContact O-CB 3.49Å; D409-F412 PolarHBondContact O-N 2.79Å; A410-F412 VanDerWaalsContact C-N 3.35Å; F412-K414 VanDerWaalsContact C-N 3.28Å; F412-K414 PolarHBondContact O-N 3.17Å; F412-C415 WeakPolarHBondContact O-CB 3.42Å; F412-C415 PolarHBondContact O-N 3.38Å; F412-C415 VanDerWaalsContact O-N 3.1Å; F412-I416 VanDerWaalsContact O-CG1 3.24Å; F412-I416 WeakPolarHBondContact O-CG1 3.49Å; F412-I416 PolarHBondContact O-N 3.08Å; F412-Q450 HydrophobicContact CE2-CB 4.44Å; F412-M454 HydrophobicContact CB-SD 4.04Å; F412-M454 HydrophobicContact CD1-SD 4.04Å; F412-M454 HydrophobicContact CD2-CB 4.28Å; F412-M454 HydrophobicContact CD2-SD 4.21Å; F412-M454 HydrophobicContact CE2-CB 4.19Å; F412-M454 HydrophobicContact CG-SD 3.84Å; F412-K457 HydrophobicContact CB-CD 4.08Å
413	D	95.1	Very high	88.5	Confident	80 Å²	80	49.1 Å²	49.1	43%	0.428	26%	0.256	S	S	.	.	H	α-helix	trans	-58.3	-43	175.1	-72.6	-26.6	0	0	0	111.8	D409 A410 I416 V417 K457	D409-D413 PolarHBondContact O-N 2.78Å; A410-D413 PolarHBondContact O-N 2.97Å; D413-I416 PolarHBondContact O-N 3.49Å; D413-V417 WeakPolarHBondContact O-CG2 3.47Å; D413-V417 PolarHBondContact O-N 3.17Å; D413-V417 VanDerWaalsContact O-N 3.13Å; D413-K457 IonicContact OD1-NZ 3.56Å; D413-K457 PolarHBondContact OD1-NZ 3.05Å; D413-K457 IonicContact OD2-NZ 2.77Å
414	K	95.3	Very high	89.8	Confident	83 Å²	83	48.5 Å²	48.5	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-42	174.1	-70.2	-172.5	-179.5	-164	0	112.7	L346 D350 A410 I411 F412 I416 V417 L418	L346-K414 HydrophobicContact CD2-CB 3.76Å; D350-K414 VanDerWaalsContact CG-NZ 3.28Å; D350-K414 WeakPolarHBondContact OD1-CE 3.44Å; D350-K414 IonicContact OD1-NZ 3.59Å; D350-K414 PolarHBondContact OD1-NZ 3.34Å; D350-K414 VanDerWaalsContact OD1-NZ 3.12Å; D350-K414 IonicContact OD2-NZ 3.94Å; D350-K414 PolarHBondContact OD2-NZ 3.48Å; A410-K414 WeakPolarHBondContact O-CG 3.32Å; A410-K414 PolarHBondContact O-N 3.23Å; I411-K414 PolarHBondContact O-N 3.26Å; F412-K414 VanDerWaalsContact C-N 3.28Å; F412-K414 PolarHBondContact O-N 3.17Å; K414-I416 VanDerWaalsContact C-N 3.3Å; K414-I416 PolarHBondContact O-N 3.27Å; K414-V417 WeakPolarHBondContact O-CB 3.48Å; K414-V417 PolarHBondContact O-N 3Å; K414-L418 PolarHBondContact O-N 2.89Å
415	C	96.3	Very high	91	Very high	1 Å²	1	47 Å²	47	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-35.9	176.1	-67.9	0	0	0	0	112.1	L388 I392 I411 F412 V417 L418 F419	L388-C415 HydrophobicContact CD1-CB 4.13Å; I392-C415 HydrophobicContact CD1-CB 4.23Å; I392-C415 HydrophobicContact CG1-CB 4.26Å; I411-C415 PolarHBondContact O-N 3.19Å; I411-C415 PolarHBondContact O-SG 3.39Å; F412-C415 WeakPolarHBondContact O-CB 3.42Å; F412-C415 PolarHBondContact O-N 3.38Å; F412-C415 VanDerWaalsContact O-N 3.1Å; C415-V417 VanDerWaalsContact C-N 3.33Å; C415-L418 PolarHBondContact O-N 3.1Å; C415-F419 WeakPolarHBondContact O-CB 3.45Å; C415-F419 PolarHBondContact O-N 3.3Å
416	I	96.6	Very high	92.1	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-36.2	177.1	-69.5	-69.9	0	0	0	111.1	F412 D413 K414 L418 F419 R420 M454 K457 L458 E461	F412-I416 VanDerWaalsContact O-CG1 3.24Å; F412-I416 WeakPolarHBondContact O-CG1 3.49Å; F412-I416 PolarHBondContact O-N 3.08Å; D413-I416 PolarHBondContact O-N 3.49Å; K414-I416 VanDerWaalsContact C-N 3.3Å; K414-I416 PolarHBondContact O-N 3.27Å; I416-L418 PolarHBondContact O-N 3.13Å; I416-F419 WeakPolarHBondContact O-CB 3.27Å; I416-F419 PolarHBondContact O-N 2.83Å; I416-R420 PolarHBondContact O-N 3.4Å; I416-M454 HydrophobicContact CD1-CE 3.84Å; I416-M454 HydrophobicContact CG1-CE 4.47Å; I416-K457 HydrophobicContact CD1-CB 3.8Å; I416-K457 HydrophobicContact CG1-CB 3.9Å; I416-K457 HydrophobicContact CG1-CD 4.21Å; I416-L458 HydrophobicContact CD1-CD2 3.97Å; I416-L458 HydrophobicContact CD1-CG 4.44Å; I416-E461 HydrophobicContact CG2-CG 3.78Å; I416-E461 WeakPolarHBondContact CG2-OE1 3.4Å
417	V	95.3	Very high	93.2	Very high	30 Å²	30	35.7 Å²	35.7	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-46.3	171.7	175.1	0	0	0	0	110.9	R349 D413 K414 C415 R420 Y421	R349-V417 HydrophobicContact CG-CG1 4.44Å; D413-V417 WeakPolarHBondContact O-CG2 3.47Å; D413-V417 PolarHBondContact O-N 3.17Å; D413-V417 VanDerWaalsContact O-N 3.13Å; K414-V417 WeakPolarHBondContact O-CB 3.48Å; K414-V417 PolarHBondContact O-N 3Å; C415-V417 VanDerWaalsContact C-N 3.33Å; V417-R420 PolarHBondContact O-N 2.82Å; V417-Y421 HydrophobicContact CG1-CE2 3.76Å; V417-Y421 WeakPolarHBondContact O-CD2 3.41Å; V417-Y421 WeakPolarHBondContact O-CE2 3.33Å
418	L	96	Very high	93.8	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-38.7	174.6	-68.1	-174.5	0	0	0	112.6	I342 L345 L346 F374 K414 C415 I416 R420 Y421 L422	I342-L418 HydrophobicContact CG2-CD1 4.22Å; L345-L418 HydrophobicContact CB-CD1 4.07Å; L345-L418 HydrophobicContact CB-CD2 4.45Å; L346-L418 HydrophobicContact CD2-CD1 3.46Å; L346-L418 VanDerWaalsContact CD2-CD1 3.46Å; L346-L418 HydrophobicContact CD2-CG 3.83Å; L346-L418 HydrophobicContact CG-CD1 3.82Å; F374-L418 HydrophobicContact CD1-CD2 4.44Å; K414-L418 PolarHBondContact O-N 2.89Å; C415-L418 PolarHBondContact O-N 3.1Å; I416-L418 PolarHBondContact O-N 3.13Å; L418-R420 VanDerWaalsContact C-N 3.28Å; L418-R420 PolarHBondContact O-N 3.15Å; L418-Y421 HydrophobicContact CD2-CD2 4.18Å; L418-Y421 HydrophobicContact CD2-CE2 4.46Å; L418-Y421 WeakPolarHBondContact O-CB 3.33Å; L418-Y421 PolarHBondContact O-N 3.3Å; L418-Y421 VanDerWaalsContact O-N 3.13Å; L418-L422 PolarHBondContact O-N 3.35Å
419	F	97.1	Very high	94.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-38	176.7	174.2	-98.4	0	0	0	112.1	L388 C415 I416 Y421 L422 K425 F428 L458 E461 C462 Y466	L388-F419 HydrophobicContact CD2-CB 3.97Å; C415-F419 WeakPolarHBondContact O-CB 3.45Å; C415-F419 PolarHBondContact O-N 3.3Å; I416-F419 WeakPolarHBondContact O-CB 3.27Å; I416-F419 PolarHBondContact O-N 2.83Å; F419-Y421 PolarHBondContact O-N 2.93Å; F419-L422 HydrophobicContact CD2-CD1 4.08Å; F419-L422 WeakPolarHBondContact O-CB 3.39Å; F419-L422 PolarHBondContact O-N 2.69Å; F419-K425 HydrophobicContact CE1-CD 3.95Å; F419-K425 HydrophobicContact CE1-CG 4.38Å; F419-K425 HydrophobicContact CE2-CB 4.02Å; F419-K425 HydrophobicContact CE2-CD 4.42Å; F419-K425 HydrophobicContact CE2-CG 3.97Å; F419-K425 HydrophobicContact CZ-CB 3.89Å; F419-K425 HydrophobicContact CZ-CD 3.78Å; F419-K425 HydrophobicContact CZ-CG 3.81Å; F419-K425 WeakPolarHBondContact O-CE 3.28Å; F419-F428 AromaticContact CD2-CD1 3.91Å; F419-F428 HydrophobicContact CD2-CD1 3.91Å; F419-F428 HydrophobicContact CD2-CD2 4.39Å; F419-F428 HydrophobicContact CD2-CE1 4.1Å; F419-F428 HydrophobicContact CD2-CG 4.06Å; F419-F428 HydrophobicContact CD2-CZ 4.42Å; F419-F428 HydrophobicContact CE2-CB 4.28Å; F419-F428 AromaticContact CE2-CD1 3.5Å; F419-F428 HydrophobicContact CE2-CD1 3.5Å; F419-F428 VanDerWaalsContact CE2-CD1 3.5Å; F419-F428 AromaticContact CE2-CE1 3.95Å; F419-F428 HydrophobicContact CE2-CE1 3.95Å; F419-F428 AromaticContact CE2-CG 3.91Å; F419-F428 HydrophobicContact CE2-CG 3.91Å; F419-L458 HydrophobicContact CD1-CD2 4.29Å; F419-L458 HydrophobicContact CD2-CD2 4.26Å; F419-L458 HydrophobicContact CE1-CD2 4.13Å; F419-L458 HydrophobicContact CE2-CD2 4.12Å; F419-L458 HydrophobicContact CG-CD2 4.35Å; F419-L458 HydrophobicContact CZ-CD2 4.04Å; F419-E461 HydrophobicContact CD1-CB 4.36Å; F419-E461 HydrophobicContact CE1-CB 4.03Å; F419-C462 VanDerWaalsContact CE1-SG 3.59Å; F419-C462 VanDerWaalsContact CZ-SG 3.59Å; F419-Y466 HydrophobicContact CZ-CE1 4.38Å
420	R	95.3	Very high	94.6	Very high	115 Å²	115	30.6 Å²	30.6	43%	0.434	15%	0.154	S	C	.	.	H	α-helix	trans	-59	-37.2	176.2	-76.3	-171.6	-123.1	121.5	2.5	112.5	I416 V417 L418 L422 K425 E461	I416-R420 PolarHBondContact O-N 3.4Å; V417-R420 PolarHBondContact O-N 2.82Å; L418-R420 VanDerWaalsContact C-N 3.28Å; L418-R420 PolarHBondContact O-N 3.15Å; R420-L422 VanDerWaalsContact C-N 3.27Å; R420-L422 PolarHBondContact O-N 2.97Å; R420-K425 PolarHBondContact O-NZ 3.22Å; R420-E461 WeakPolarHBondContact CD-OE2 3.17Å; R420-E461 WeakPolarHBondContact CG-OE2 3.49Å; R420-E461 IonicContact CZ-OE1 2.69Å; R420-E461 IonicContact NE-OE1 3.6Å; R420-E461 PolarHBondContact NE-OE1 3.18Å; R420-E461 IonicContact NE-OE2 3.98Å; R420-E461 PolarHBondContact NE-OE2 3.29Å; R420-E461 IonicContact NH2-OE1 3.31Å
421	Y	95.2	Very high	94.8	Very high	15 Å²	15	28.1 Å²	28.1	6%	0.059	13%	0.134	C	C	.	.	H	α-helix	trans	-72.3	-15	177.6	-57.2	-44.1	0	0	0	113.7	R349 N371 F374 E375 N379 V417 L418 F419 Q423	R349-Y421 PolarHBondContact NE-OH 3.03Å; R349-Y421 PolarHBondContact NH2-OH 2.99Å; N371-Y421 HydrophobicContact CB-CE1 4.1Å; N371-Y421 PolarHBondContact OD1-OH 3.32Å; F374-Y421 HydrophobicContact CB-CD1 4.25Å; F374-Y421 HydrophobicContact CB-CD2 3.68Å; F374-Y421 HydrophobicContact CB-CE1 4.16Å; F374-Y421 HydrophobicContact CB-CE2 3.59Å; F374-Y421 HydrophobicContact CB-CG 4.04Å; F374-Y421 HydrophobicContact CD1-CD2 4.31Å; F374-Y421 HydrophobicContact CD1-CE2 4.08Å; F374-Y421 HydrophobicContact CG-CD2 4.32Å; F374-Y421 AromaticContact CG-CE2 3.94Å; F374-Y421 HydrophobicContact CG-CE2 3.94Å; E375-Y421 HydrophobicContact CB-CD1 4.36Å; N379-Y421 PolarHBondContact ND2-O 2.9Å; V417-Y421 HydrophobicContact CG1-CE2 3.76Å; V417-Y421 WeakPolarHBondContact O-CD2 3.41Å; V417-Y421 WeakPolarHBondContact O-CE2 3.33Å; L418-Y421 HydrophobicContact CD2-CD2 4.18Å; L418-Y421 HydrophobicContact CD2-CE2 4.46Å; L418-Y421 WeakPolarHBondContact O-CB 3.33Å; L418-Y421 PolarHBondContact O-N 3.3Å; L418-Y421 VanDerWaalsContact O-N 3.13Å; F419-Y421 PolarHBondContact O-N 2.93Å; Y421-Q423 PolarHBondContact O-N 2.83Å
422	L	95.6	Very high	95	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.126	C	C	.	.			trans	-70	131	177.7	-65.2	178	0	0	0	111.3	V378 P385 L388 L418 F419 R420 K425 F428	V378-L422 HydrophobicContact CG1-CD2 3.65Å; P385-L422 HydrophobicContact CB-CD1 4.46Å; P385-L422 HydrophobicContact CG-CD2 4.24Å; L388-L422 HydrophobicContact CD2-CD1 3.78Å; L418-L422 PolarHBondContact O-N 3.35Å; F419-L422 HydrophobicContact CD2-CD1 4.08Å; F419-L422 WeakPolarHBondContact O-CB 3.39Å; F419-L422 PolarHBondContact O-N 2.69Å; R420-L422 VanDerWaalsContact C-N 3.27Å; R420-L422 PolarHBondContact O-N 2.97Å; L422-K425 HydrophobicContact CB-CG 4.26Å; L422-K425 WeakPolarHBondContact O-CG 3.4Å; L422-K425 PolarHBondContact O-NZ 3.28Å; L422-F428 HydrophobicContact CD1-CB 4.31Å; L422-F428 HydrophobicContact CD1-CD2 4.38Å
423	Q	92.8	Very high	95	Very high	78 Å²	78	28 Å²	28	36%	0.364	13%	0.132	S	C	.	.	S	Bend	trans	-80.1	-36.5	170.6	-74	176	2.8	0	0	111.7	N379 Y421 K425 F779 V780	N379-Q423 PolarHBondContact OD1-N 2.7Å; Y421-Q423 PolarHBondContact O-N 2.83Å; Q423-K425 PolarHBondContact O-N 2.97Å; Q423-F779 VanDerWaalsContact O-CA 3.32Å; Q423-F779 WeakPolarHBondContact O-CA 3.47Å; Q423-V780 HydrophobicContact CB-CG2 4.44Å; Q423-V780 HydrophobicContact CG-CG2 4.46Å
424	E	93.4	Very high	94.7	Very high	58 Å²	58	25.2 Å²	25.2	27%	0.271	12%	0.116	S	C	.	.			trans	-98.3	66.5	-179	-57.8	-157.9	121.7	0	0	112.3	P385 D426 L427 F428 R744	P385-E424 HydrophobicContact CG-CB 4.34Å; E424-D426 VanDerWaalsContact C-N 3.34Å; E424-L427 HydrophobicContact CB-CB 3.97Å; E424-L427 PolarHBondContact O-N 3.35Å; E424-L427 WeakPolarHBondContact OE2-CD2 3.14Å; E424-F428 PolarHBondContact O-N 3.36Å; E424-R744 VanDerWaalsContact CD-NH2 3.35Å; E424-R744 IonicContact OE1-CZ 3.54Å; E424-R744 IonicContact OE1-NH1 3.06Å; E424-R744 PolarHBondContact OE1-NH1 2.85Å; E424-R744 IonicContact OE1-NH2 3.97Å; E424-R744 PolarHBondContact OE1-NH2 3.48Å
425	K	95.4	Very high	94.5	Very high	25 Å²	25	21.6 Å²	21.6	11%	0.109	10%	0.101	C	C	.	.	H	α-helix	trans	-68.3	-33.7	-178.7	-62.9	175.8	170.2	76.6	0	112	F419 R420 L422 Q423 L427 F428 E429 Y466 S777 R778	F419-K425 HydrophobicContact CE1-CD 3.95Å; F419-K425 HydrophobicContact CE1-CG 4.38Å; F419-K425 HydrophobicContact CE2-CB 4.02Å; F419-K425 HydrophobicContact CE2-CD 4.42Å; F419-K425 HydrophobicContact CE2-CG 3.97Å; F419-K425 HydrophobicContact CZ-CB 3.89Å; F419-K425 HydrophobicContact CZ-CD 3.78Å; F419-K425 HydrophobicContact CZ-CG 3.81Å; F419-K425 WeakPolarHBondContact O-CE 3.28Å; R420-K425 PolarHBondContact O-NZ 3.22Å; L422-K425 HydrophobicContact CB-CG 4.26Å; L422-K425 WeakPolarHBondContact O-CG 3.4Å; L422-K425 PolarHBondContact O-NZ 3.28Å; Q423-K425 PolarHBondContact O-N 2.97Å; K425-L427 VanDerWaalsContact C-N 3.28Å; K425-L427 PolarHBondContact O-N 3.48Å; K425-F428 WeakPolarHBondContact O-CA 3.15Å; K425-F428 VanDerWaalsContact O-CB 3.31Å; K425-F428 WeakPolarHBondContact O-CB 3.47Å; K425-F428 PolarHBondContact O-N 2.99Å; K425-F428 VanDerWaalsContact O-N 3.13Å; K425-E429 PolarHBondContact O-N 3.09Å; K425-Y466 HydrophobicContact CB-CE2 4.5Å; K425-Y466 PolarHBondContact O-OH 3.4Å; K425-S777 VanDerWaalsContact CD-O 3.3Å; K425-S777 WeakPolarHBondContact CD-O 3.35Å; K425-R778 WeakPolarHBondContact CA-O 3.35Å; K425-R778 WeakPolarHBondContact CB-O 3.32Å; K425-R778 PolarHBondContact N-O 3.22Å
426	D	94.1	Very high	94.3	Very high	18 Å²	18	21.6 Å²	21.6	10%	0.096	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-32.9	173.4	63.7	-18.2	0	0	0	113.9	E424 E429 G430 V740 R744 R778 F779	E424-D426 VanDerWaalsContact C-N 3.34Å; D426-E429 WeakPolarHBondContact O-CB 3.46Å; D426-E429 PolarHBondContact O-N 3.26Å; D426-G430 PolarHBondContact O-N 2.86Å; D426-V740 HydrophobicContact CB-CG1 4.41Å; D426-R744 IonicContact OD1-CZ 3.47Å; D426-R744 IonicContact OD1-NE 3.84Å; D426-R744 IonicContact OD1-NH2 3.66Å; D426-R744 PolarHBondContact OD1-NH2 2.76Å; D426-R744 WeakPolarHBondContact OD2-CG 3.46Å; D426-R744 IonicContact OD2-CZ 2.73Å; D426-R744 IonicContact OD2-NE 2.7Å; D426-R744 PolarHBondContact OD2-NE 3.35Å; D426-R744 IonicContact OD2-NH2 2.65Å; D426-R744 PolarHBondContact OD2-NH2 2.86Å; D426-R778 PolarHBondContact N-O 3.44Å; D426-F779 WeakPolarHBondContact OD2-CD1 2.92Å
427	L	94.5	Very high	93.9	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-68.4	-40.6	172.5	-172.7	62.6	0	0	0	110.9	P385 E424 K425 G430 Y431 R737 V740	P385-L427 HydrophobicContact CB-CB 4.37Å; P385-L427 HydrophobicContact CB-CD2 4.43Å; P385-L427 HydrophobicContact CB-CG 4.35Å; P385-L427 HydrophobicContact CG-CD2 4.32Å; E424-L427 HydrophobicContact CB-CB 3.97Å; E424-L427 PolarHBondContact O-N 3.35Å; E424-L427 WeakPolarHBondContact OE2-CD2 3.14Å; K425-L427 VanDerWaalsContact C-N 3.28Å; K425-L427 PolarHBondContact O-N 3.48Å; L427-G430 PolarHBondContact O-N 2.71Å; L427-Y431 HydrophobicContact CD1-CD2 4.43Å; L427-Y431 HydrophobicContact CD1-CE2 3.73Å; L427-Y431 HydrophobicContact CD2-CE2 4.13Å; L427-Y431 HydrophobicContact CG-CD2 4.18Å; L427-Y431 HydrophobicContact CG-CE2 3.6Å; L427-Y431 WeakPolarHBondContact O-CD2 3.46Å; L427-Y431 PolarHBondContact O-N 2.77Å; L427-R737 HydrophobicContact CD1-CG 4.01Å; L427-V740 HydrophobicContact CD1-CB 4.33Å; L427-V740 HydrophobicContact CD1-CG1 4.44Å; L427-V740 HydrophobicContact CD1-CG2 4.12Å
428	F	96.3	Very high	93.4	Very high	1 Å²	1	24 Å²	24	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-58.2	-46.3	169.9	172.5	-86	0	0	0	111.4	P385 L388 I392 F419 L422 E424 K425 G430 Y431 Y432 L458	P385-F428 HydrophobicContact CB-CB 3.99Å; P385-F428 WeakPolarHBondContact O-CD2 3.49Å; L388-F428 HydrophobicContact CB-CD2 4.27Å; L388-F428 HydrophobicContact CB-CE2 4.16Å; L388-F428 HydrophobicContact CD2-CD2 4.25Å; L388-F428 HydrophobicContact CD2-CE2 4.04Å; L388-F428 HydrophobicContact CG-CD2 4.35Å; L388-F428 HydrophobicContact CG-CE2 3.89Å; I392-F428 HydrophobicContact CD1-CE2 3.97Å; I392-F428 HydrophobicContact CD1-CZ 3.87Å; F419-F428 AromaticContact CD2-CD1 3.91Å; F419-F428 HydrophobicContact CD2-CD1 3.91Å; F419-F428 HydrophobicContact CD2-CD2 4.39Å; F419-F428 HydrophobicContact CD2-CE1 4.1Å; F419-F428 HydrophobicContact CD2-CG 4.06Å; F419-F428 HydrophobicContact CD2-CZ 4.42Å; F419-F428 HydrophobicContact CE2-CB 4.28Å; F419-F428 AromaticContact CE2-CD1 3.5Å; F419-F428 HydrophobicContact CE2-CD1 3.5Å; F419-F428 VanDerWaalsContact CE2-CD1 3.5Å; F419-F428 AromaticContact CE2-CE1 3.95Å; F419-F428 HydrophobicContact CE2-CE1 3.95Å; F419-F428 AromaticContact CE2-CG 3.91Å; F419-F428 HydrophobicContact CE2-CG 3.91Å; L422-F428 HydrophobicContact CD1-CB 4.31Å; L422-F428 HydrophobicContact CD1-CD2 4.38Å; E424-F428 PolarHBondContact O-N 3.36Å; K425-F428 WeakPolarHBondContact O-CA 3.15Å; K425-F428 VanDerWaalsContact O-CB 3.31Å; K425-F428 WeakPolarHBondContact O-CB 3.47Å; K425-F428 PolarHBondContact O-N 2.99Å; K425-F428 VanDerWaalsContact O-N 3.13Å; F428-G430 VanDerWaalsContact C-N 3.26Å; F428-G430 PolarHBondContact O-N 3.19Å; F428-Y431 PolarHBondContact O-N 2.77Å; F428-Y432 AromaticContact CE1-CD2 3.99Å; F428-Y432 HydrophobicContact CE1-CD2 3.99Å; F428-Y432 HydrophobicContact CE1-CG 4.02Å; F428-Y432 HydrophobicContact CE2-CD2 4.46Å; F428-Y432 AromaticContact CZ-CD2 3.64Å; F428-Y432 HydrophobicContact CZ-CD2 3.64Å; F428-Y432 HydrophobicContact CZ-CE2 4.4Å; F428-Y432 HydrophobicContact CZ-CG 4.14Å; F428-Y432 VanDerWaalsContact O-CB 3.26Å; F428-Y432 WeakPolarHBondContact O-CB 3.43Å; F428-Y432 PolarHBondContact O-N 3.46Å; F428-L458 HydrophobicContact CE1-CD1 4.1Å; F428-L458 HydrophobicContact CE1-CD2 3.87Å; F428-L458 HydrophobicContact CZ-CD2 4.44Å
429	E	95	Very high	93	Very high	22 Å²	22	24 Å²	24	10%	0.103	11%	0.108	C	C	.	.	H	α-helix	trans	-53.5	-45.5	175.9	-165.7	-155.9	136	0	0	110.9	K425 D426 Y432 K433 Y466	K425-E429 PolarHBondContact O-N 3.09Å; D426-E429 WeakPolarHBondContact O-CB 3.46Å; D426-E429 PolarHBondContact O-N 3.26Å; E429-Y432 PolarHBondContact O-N 3.27Å; E429-K433 WeakPolarHBondContact O-CB 3.47Å; E429-K433 PolarHBondContact O-N 3.03Å; E429-Y466 HydrophobicContact CB-CE2 3.92Å; E429-Y466 HydrophobicContact CG-CE1 4.42Å; E429-Y466 HydrophobicContact CG-CE2 4.2Å
430	G	93	Very high	92.5	Very high	12 Å²	12	24.6 Å²	24.6	12%	0.124	11%	0.112	C	C	.	.	H	α-helix	trans	-56.5	-51.3	178.8	0	0	0	0	0	113	D426 L427 F428 K434	D426-G430 PolarHBondContact O-N 2.86Å; L427-G430 PolarHBondContact O-N 2.71Å; F428-G430 VanDerWaalsContact C-N 3.26Å; F428-G430 PolarHBondContact O-N 3.19Å; G430-K434 PolarHBondContact O-N 2.92Å
431	Y	94.1	Very high	91.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.4	-45.7	177	-65.8	-63.2	0	0	0	111.9	E386 L427 F428 K433 K434 H435 R733 T736	E386-Y431 HydrophobicContact CB-CD2 3.82Å; E386-Y431 HydrophobicContact CB-CE1 4.4Å; E386-Y431 HydrophobicContact CB-CE2 3.64Å; E386-Y431 HydrophobicContact CB-CG 4.27Å; E386-Y431 HydrophobicContact CG-CD1 4.19Å; E386-Y431 HydrophobicContact CG-CD2 4.37Å; E386-Y431 HydrophobicContact CG-CE1 4.11Å; E386-Y431 HydrophobicContact CG-CE2 4.25Å; E386-Y431 HydrophobicContact CG-CG 4.36Å; L427-Y431 HydrophobicContact CD1-CD2 4.43Å; L427-Y431 HydrophobicContact CD1-CE2 3.73Å; L427-Y431 HydrophobicContact CD2-CE2 4.13Å; L427-Y431 HydrophobicContact CG-CD2 4.18Å; L427-Y431 HydrophobicContact CG-CE2 3.6Å; L427-Y431 WeakPolarHBondContact O-CD2 3.46Å; L427-Y431 PolarHBondContact O-N 2.77Å; F428-Y431 PolarHBondContact O-N 2.77Å; Y431-K433 VanDerWaalsContact C-N 3.34Å; Y431-K433 PolarHBondContact O-N 2.89Å; Y431-K434 WeakPolarHBondContact O-CB 3.36Å; Y431-K434 PolarHBondContact O-N 2.8Å; Y431-K434 VanDerWaalsContact O-N 3.08Å; Y431-H435 VanDerWaalsContact O-CG 3.31Å; Y431-H435 PolarHBondContact O-N 3.39Å; Y431-H435 PolarHBondContact O-ND1 2.81Å; Y431-R733 HydrophobicContact CE1-CG 4.37Å; Y431-R733 WeakPolarHBondContact OH-CG 3.43Å; Y431-T736 HydrophobicContact CD1-CG2 3.9Å; Y431-T736 HydrophobicContact CE1-CG2 3.76Å; Y431-T736 HydrophobicContact CG-CG2 4.41Å
432	Y	95.1	Very high	91.1	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-44.9	-178.8	-170.6	-89.8	0	0	0	111.8	S389 I392 F428 E429 K434 H435 L436 M454 L458 L470	S389-Y432 WeakPolarHBondContact OG-CA 3.45Å; S389-Y432 PolarHBondContact OG-N 3.22Å; S389-Y432 VanDerWaalsContact OG-N 3.07Å; I392-Y432 HydrophobicContact CG2-CE2 3.87Å; F428-Y432 AromaticContact CE1-CD2 3.99Å; F428-Y432 HydrophobicContact CE1-CD2 3.99Å; F428-Y432 HydrophobicContact CE1-CG 4.02Å; F428-Y432 HydrophobicContact CE2-CD2 4.46Å; F428-Y432 AromaticContact CZ-CD2 3.64Å; F428-Y432 HydrophobicContact CZ-CD2 3.64Å; F428-Y432 HydrophobicContact CZ-CE2 4.4Å; F428-Y432 HydrophobicContact CZ-CG 4.14Å; F428-Y432 VanDerWaalsContact O-CB 3.26Å; F428-Y432 WeakPolarHBondContact O-CB 3.43Å; F428-Y432 PolarHBondContact O-N 3.46Å; E429-Y432 PolarHBondContact O-N 3.27Å; Y432-K434 VanDerWaalsContact C-N 3.28Å; Y432-K434 PolarHBondContact O-N 3Å; Y432-H435 PolarHBondContact O-N 2.76Å; Y432-L436 HydrophobicContact CE1-CB 4.48Å; Y432-L436 HydrophobicContact CE1-CD2 4.46Å; Y432-L436 WeakPolarHBondContact O-CB 3.36Å; Y432-L436 PolarHBondContact O-N 2.88Å; Y432-M454 HydrophobicContact CE2-CG 4.31Å; Y432-M454 VanDerWaalsContact OH-CG 3.31Å; Y432-M454 WeakPolarHBondContact OH-CG 3.3Å; Y432-L458 HydrophobicContact CD1-CD1 4.39Å; Y432-L458 HydrophobicContact CE1-CD1 4.22Å; Y432-L470 HydrophobicContact CD1-CD1 3.86Å; Y432-L470 HydrophobicContact CD1-CD2 4.18Å; Y432-L470 HydrophobicContact CE1-CD1 4.04Å
433	K	93.2	Very high	90.2	Very high	30 Å²	30	26.2 Å²	26.2	13%	0.13	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-39.8	175.8	-174.6	173.4	68.6	-173.5	0	112.3	E429 Y431 A437 L470 M473 P513	E429-K433 WeakPolarHBondContact O-CB 3.47Å; E429-K433 PolarHBondContact O-N 3.03Å; Y431-K433 VanDerWaalsContact C-N 3.34Å; Y431-K433 PolarHBondContact O-N 2.89Å; K433-A437 WeakPolarHBondContact O-CB 3.47Å; K433-A437 PolarHBondContact O-N 3.39Å; K433-L470 HydrophobicContact CB-CD2 3.83Å; K433-L470 HydrophobicContact CG-CD2 4.01Å; K433-M473 HydrophobicContact CG-SD 3.83Å; K433-P513 HydrophobicContact CG-CG 4.44Å
434	K	89.4	Confident	89.5	Confident	21 Å²	21	26.3 Å²	26.3	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-68.4	-42.6	178.5	-167.9	171.9	175.7	-163.3	0	112.3	G430 Y431 Y432 A437 K438 E728 E732 T736	G430-K434 PolarHBondContact O-N 2.92Å; Y431-K434 WeakPolarHBondContact O-CB 3.36Å; Y431-K434 PolarHBondContact O-N 2.8Å; Y431-K434 VanDerWaalsContact O-N 3.08Å; Y432-K434 VanDerWaalsContact C-N 3.28Å; Y432-K434 PolarHBondContact O-N 3Å; K434-A437 PolarHBondContact O-N 3.19Å; K434-K438 WeakPolarHBondContact O-CG 3.37Å; K434-K438 PolarHBondContact O-N 3.43Å; K434-K438 VanDerWaalsContact O-N 3.15Å; K434-E728 WeakPolarHBondContact CD-OE1 3.35Å; K434-E728 WeakPolarHBondContact CE-OE1 3.4Å; K434-E728 VanDerWaalsContact NZ-CD 3.31Å; K434-E728 IonicContact NZ-OE1 2.7Å; K434-E728 PolarHBondContact NZ-OE1 3.29Å; K434-E732 WeakPolarHBondContact CE-OE1 3.48Å; K434-E732 VanDerWaalsContact NZ-CD 3.35Å; K434-E732 PolarHBondContact NZ-O 2.84Å; K434-E732 VanDerWaalsContact NZ-O 3.15Å; K434-E732 IonicContact NZ-OE1 3.74Å; K434-E732 PolarHBondContact NZ-OE1 3.2Å; K434-E732 VanDerWaalsContact NZ-OE1 3.16Å; K434-T736 PolarHBondContact NZ-OG1 2.88Å
435	H	90.3	Very high	88.9	Confident	7 Å²	7	24.1 Å²	24.1	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-46.3	174.6	-60.6	151.2	0	0	0	111.7	S389 L390 D393 Y431 Y432 A437 K438 R439 E728	S389-H435 PolarHBondContact OG-ND1 2.81Å; L390-H435 VanDerWaalsContact CD2-CE1 3.47Å; L390-H435 WeakPolarHBondContact CD2-CE1 3.08Å; L390-H435 WeakPolarHBondContact CD2-NE2 3.36Å; D393-H435 HydrophobicContact CB-CB 3.97Å; Y431-H435 VanDerWaalsContact O-CG 3.31Å; Y431-H435 PolarHBondContact O-N 3.39Å; Y431-H435 PolarHBondContact O-ND1 2.81Å; Y432-H435 PolarHBondContact O-N 2.76Å; H435-A437 VanDerWaalsContact C-N 3.34Å; H435-A437 PolarHBondContact O-N 2.6Å; H435-K438 PolarHBondContact O-N 3.32Å; H435-R439 WeakPolarHBondContact O-CG 3.42Å; H435-R439 PolarHBondContact O-N 3.29Å; H435-E728 IonicContact NE2-OE2 3.47Å
436	L	92.1	Very high	88	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.6	-45.7	175.1	179.2	63.5	0	0	0	111.5	Y432 K438 R439 L440 E451 I455 L470 M473 F474	Y432-L436 HydrophobicContact CE1-CB 4.48Å; Y432-L436 HydrophobicContact CE1-CD2 4.46Å; Y432-L436 WeakPolarHBondContact O-CB 3.36Å; Y432-L436 PolarHBondContact O-N 2.88Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.13Å; L436-R439 PolarHBondContact O-N 2.74Å; L436-R439 VanDerWaalsContact O-N 3.12Å; L436-L440 HydrophobicContact CD1-CD1 4.03Å; L436-L440 HydrophobicContact CD1-CD2 4.42Å; L436-L440 HydrophobicContact CD1-CG 3.94Å; L436-L440 HydrophobicContact CD2-CD1 4.5Å; L436-L440 HydrophobicContact CG-CD1 3.94Å; L436-L440 HydrophobicContact CG-CG 4.25Å; L436-L440 WeakPolarHBondContact O-CG 3.13Å; L436-L440 PolarHBondContact O-N 2.66Å; L436-E451 WeakPolarHBondContact CD1-OE2 3.27Å; L436-I455 HydrophobicContact CD2-CD1 4.28Å; L436-L470 HydrophobicContact CD2-CB 4.09Å; L436-L470 HydrophobicContact CD2-CD2 3.9Å; L436-M473 HydrophobicContact CB-CE 4.28Å; L436-M473 HydrophobicContact CD2-CE 4.06Å; L436-M473 HydrophobicContact CD2-SD 4.29Å; L436-M473 HydrophobicContact CG-CE 3.95Å; L436-F474 HydrophobicContact CD1-CE2 3.94Å; L436-F474 HydrophobicContact CD1-CZ 4.15Å; L436-F474 HydrophobicContact CD2-CE2 4.16Å
437	A	89.3	Confident	87.6	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-44.7	178.1	0	0	0	0	0	112	K433 K434 H435 L441 M473 W512 P513	K433-A437 WeakPolarHBondContact O-CB 3.47Å; K433-A437 PolarHBondContact O-N 3.39Å; K434-A437 PolarHBondContact O-N 3.19Å; H435-A437 VanDerWaalsContact C-N 3.34Å; H435-A437 PolarHBondContact O-N 2.6Å; A437-L441 WeakPolarHBondContact O-CB 3.44Å; A437-L441 VanDerWaalsContact O-CG 3.3Å; A437-L441 WeakPolarHBondContact O-CG 3.45Å; A437-L441 PolarHBondContact O-N 3.39Å; A437-L441 VanDerWaalsContact O-N 3.07Å; A437-M473 HydrophobicContact CB-CE 3.62Å; A437-W512 HydrophobicContact CB-CE3 3.84Å; A437-W512 HydrophobicContact CB-CZ3 3.97Å; A437-P513 HydrophobicContact CB-CG 3.53Å
438	K	84.2	Confident	87.1	Confident	85 Å²	85	30.9 Å²	30.9	37%	0.37	16%	0.163	S	C	.	.	H	α-helix	trans	-62.2	-41.8	175.7	-72.1	173.9	-178.3	172.7	0	111	K434 H435 L436 L442 E728 E732	K434-K438 WeakPolarHBondContact O-CG 3.37Å; K434-K438 PolarHBondContact O-N 3.43Å; K434-K438 VanDerWaalsContact O-N 3.15Å; H435-K438 PolarHBondContact O-N 3.32Å; L436-K438 VanDerWaalsContact C-N 3.33Å; L436-K438 PolarHBondContact O-N 3.13Å; K438-L442 WeakPolarHBondContact O-CB 3.42Å; K438-L442 VanDerWaalsContact O-CG 3.23Å; K438-L442 WeakPolarHBondContact O-CG 3.35Å; K438-L442 PolarHBondContact O-N 3Å; K438-E728 IonicContact NZ-OE1 3.85Å; K438-E732 IonicContact NZ-OE1 2.91Å; K438-E732 PolarHBondContact NZ-OE1 2.95Å
439	R	88.1	Confident	86.7	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-45.7	179.1	-70.9	-166.3	-55.4	-87.4	5.8	112.7	D393 K397 H435 L436 S443 K444 E451	D393-R439 VanDerWaalsContact OD1-CD 3.27Å; D393-R439 WeakPolarHBondContact OD1-CD 3.39Å; D393-R439 WeakPolarHBondContact OD1-CG 3.42Å; D393-R439 IonicContact OD1-CZ 3.94Å; D393-R439 IonicContact OD1-NE 3.29Å; D393-R439 IonicContact OD1-NH1 2.68Å; D393-R439 PolarHBondContact OD1-NH1 3.01Å; K397-R439 HydrophobicContact CG-CG 4.41Å; H435-R439 WeakPolarHBondContact O-CG 3.42Å; H435-R439 PolarHBondContact O-N 3.29Å; L436-R439 PolarHBondContact O-N 2.74Å; L436-R439 VanDerWaalsContact O-N 3.12Å; R439-S443 WeakPolarHBondContact O-CA 3.4Å; R439-S443 PolarHBondContact O-N 3.35Å; R439-S443 VanDerWaalsContact O-N 3.08Å; R439-K444 PolarHBondContact O-N 3.49Å; R439-E451 IonicContact CZ-OE1 2.94Å; R439-E451 IonicContact CZ-OE2 2.73Å; R439-E451 IonicContact NE-OE1 3.98Å; R439-E451 PolarHBondContact NE-OE1 3.47Å; R439-E451 IonicContact NE-OE2 3.53Å; R439-E451 IonicContact NH2-OE1 2.69Å; R439-E451 IonicContact NH2-OE2 3.12Å; R439-E451 PolarHBondContact NH2-OE2 2.94Å
440	L	86.7	Confident	86.4	Confident	16 Å²	16	35.1 Å²	35.1	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-48.9	179.6	-70	178.7	0	0	0	112.1	L436 S443 M473 F474 M477 W512	L436-L440 HydrophobicContact CD1-CD1 4.03Å; L436-L440 HydrophobicContact CD1-CD2 4.42Å; L436-L440 HydrophobicContact CD1-CG 3.94Å; L436-L440 HydrophobicContact CD2-CD1 4.5Å; L436-L440 HydrophobicContact CG-CD1 3.94Å; L436-L440 HydrophobicContact CG-CG 4.25Å; L436-L440 WeakPolarHBondContact O-CG 3.13Å; L436-L440 PolarHBondContact O-N 2.66Å; L440-S443 PolarHBondContact O-N 3.13Å; L440-M473 HydrophobicContact CD1-CB 4.08Å; L440-M473 HydrophobicContact CD1-CE 4.21Å; L440-F474 HydrophobicContact CD1-CE2 4.41Å; L440-F474 HydrophobicContact CD1-CZ 4.49Å; L440-F474 HydrophobicContact CD2-CD1 4.4Å; L440-F474 HydrophobicContact CD2-CE1 3.77Å; L440-F474 HydrophobicContact CD2-CZ 3.82Å; L440-M477 HydrophobicContact CB-CG 4.31Å; L440-M477 HydrophobicContact CB-SD 4.43Å; L440-M477 HydrophobicContact CD1-CG 4.21Å; L440-W512 HydrophobicContact CB-CH2 4.09Å; L440-W512 HydrophobicContact CB-CZ3 4.39Å; L440-W512 HydrophobicContact CD1-CH2 3.83Å; L440-W512 HydrophobicContact CD1-CZ3 4.44Å
441	L	82.3	Confident	86.3	Confident	18 Å²	18	34.6 Å²	34.6	9%	0.094	18%	0.181	C	C	.	.	H	α-helix	trans	-73.2	-33	-174.4	-64.6	173.7	0	0	0	113.2	A437 S443 M477 R505 L507 W512 M553	A437-L441 WeakPolarHBondContact O-CB 3.44Å; A437-L441 VanDerWaalsContact O-CG 3.3Å; A437-L441 WeakPolarHBondContact O-CG 3.45Å; A437-L441 PolarHBondContact O-N 3.39Å; A437-L441 VanDerWaalsContact O-N 3.07Å; L441-S443 VanDerWaalsContact C-N 3.3Å; L441-M477 HydrophobicContact CD2-CE 4.05Å; L441-M477 HydrophobicContact CD2-SD 4.31Å; L441-R505 PolarHBondContact O-NH1 3.39Å; L441-L507 HydrophobicContact CD1-CD1 4.25Å; L441-L507 HydrophobicContact CD2-CD1 3.98Å; L441-L507 HydrophobicContact CD2-CD2 4.14Å; L441-W512 HydrophobicContact CD1-CE3 4.1Å; L441-W512 HydrophobicContact CD1-CZ3 3.87Å; L441-W512 HydrophobicContact CD2-CH2 4.15Å; L441-W512 HydrophobicContact CD2-CZ3 3.94Å; L441-W512 HydrophobicContact CG-CE3 4.41Å; L441-W512 HydrophobicContact CG-CH2 4.31Å; L441-W512 HydrophobicContact CG-CZ3 3.7Å; L441-M553 HydrophobicContact CD1-CE 3.13Å; L441-M553 HydrophobicContact CD1-SD 4.32Å
442	L	77.6	Confident	86.2	Confident	77 Å²	77	39.6 Å²	39.6	40%	0.403	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2	176.9	-57.6	177	0	0	0	113	K438 K444	K438-L442 WeakPolarHBondContact O-CB 3.42Å; K438-L442 VanDerWaalsContact O-CG 3.23Å; K438-L442 WeakPolarHBondContact O-CG 3.35Å; K438-L442 PolarHBondContact O-N 3Å; L442-K444 HydrophobicContact CB-CD 4.05Å; L442-K444 HydrophobicContact CB-CG 3.87Å; L442-K444 HydrophobicContact CD1-CD 4.28Å; L442-K444 PolarHBondContact O-N 3.35Å
443	S	78.1	Confident	86.1	Confident	72 Å²	72	42.6 Å²	42.6	50%	0.503	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	46.1	-176.7	-54	0	0	0	0	112.2	R439 L440 L441	R439-S443 WeakPolarHBondContact O-CA 3.4Å; R439-S443 PolarHBondContact O-N 3.35Å; R439-S443 VanDerWaalsContact O-N 3.08Å; L440-S443 PolarHBondContact O-N 3.13Å; L441-S443 VanDerWaalsContact C-N 3.3Å
444	K	77.6	Confident	86.2	Confident	80 Å²	80	41.2 Å²	41.2	35%	0.348	21%	0.212	S	C	.	.			trans	-100.8	-1.9	-177.3	-73	-172.8	178.7	-177	0	113.8	K397 R398 R439 L442	K397-K444 CarbonylContact C-O 3.59Å; K397-K444 WeakPolarHBondContact CA-O 3.46Å; R398-K444 WeakPolarHBondContact CB-O 3.07Å; R398-K444 PolarHBondContact N-O 2.97Å; R439-K444 PolarHBondContact O-N 3.49Å; L442-K444 HydrophobicContact CB-CD 4.05Å; L442-K444 HydrophobicContact CB-CG 3.87Å; L442-K444 HydrophobicContact CD1-CD 4.28Å; L442-K444 PolarHBondContact O-N 3.35Å
445	S	81	Confident	86.5	Confident	12 Å²	12	40.5 Å²	40.5	8%	0.084	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-65.8	142.3	176.2	-61.8	0	0	0	0	111	E451	S445-E451 WeakPolarHBondContact CB-OE1 3.27Å; S445-E451 PolarHBondContact OG-OE1 2.92Å
446	Q	76.6	Confident	86.7	Confident	59 Å²	59	43.2 Å²	43.2	28%	0.276	23%	0.229	S	C	.	.	S	Bend	trans	-71.6	-47.6	175	178.1	175.3	-28.7	0	0	111	L396	L396-Q446 WeakPolarHBondContact O-CB 3.47Å; L396-Q446 PolarHBondContact O-N 2.94Å
447	S	84.4	Confident	86.9	Confident	31 Å²	31	45 Å²	45	22%	0.217	24%	0.237	C	C	.	.			trans	-148.9	132.4	-179	171.5	0	0	0	0	110.3	D449 E451	S447-D449 VanDerWaalsContact C-N 3.26Å; S447-D449 PolarHBondContact O-N 2.72Å; S447-D449 PolarHBondContact OG-N 3.49Å; S447-E451 WeakPolarHBondContact O-CG 3.41Å; S447-E451 PolarHBondContact O-N 2.87Å
448	D	84.3	Confident	87.2	Confident	98 Å²	98	44.9 Å²	44.9	52%	0.524	24%	0.235	S	C	.	.	H	α-helix	trans	-68.2	-28.7	176	-71.5	-8.2	0	0	0	111.7	E451 K452	D448-E451 PolarHBondContact O-N 3.07Å; D448-K452 WeakPolarHBondContact O-CG 3.31Å; D448-K452 PolarHBondContact O-N 3.41Å; D448-K452 VanDerWaalsContact O-N 3.14Å
449	D	88.3	Confident	87.7	Confident	101 Å²	101	44.1 Å²	44.1	54%	0.54	23%	0.234	S	C	.	.	H	α-helix	trans	-72.7	-38.7	179.4	-66.1	-30.4	0	0	0	111.2	S447 E451 K452 I453	S447-D449 VanDerWaalsContact C-N 3.26Å; S447-D449 PolarHBondContact O-N 2.72Å; S447-D449 PolarHBondContact OG-N 3.49Å; D449-E451 VanDerWaalsContact C-N 3.32Å; D449-E451 PolarHBondContact O-N 2.88Å; D449-K452 PolarHBondContact O-N 3.24Å; D449-K452 IonicContact OD1-NZ 3.86Å; D449-I453 VanDerWaalsContact O-CG1 3.28Å; D449-I453 WeakPolarHBondContact O-CG1 3.17Å; D449-I453 PolarHBondContact O-N 2.92Å
450	Q	89.4	Confident	88	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-38.6	173.8	-68.8	-66.8	-10.2	0	0	112.1	L396 D405 F412 I453 M454	L396-Q450 HydrophobicContact CD2-CB 3.92Å; D405-Q450 PolarHBondContact O-NE2 3.21Å; D405-Q450 PolarHBondContact OD1-NE2 3.32Å; D405-Q450 VanDerWaalsContact OD1-NE2 3.13Å; F412-Q450 HydrophobicContact CE2-CB 4.44Å; Q450-I453 PolarHBondContact O-N 3.27Å; Q450-M454 PolarHBondContact O-N 3.26Å
451	E	90.4	Very high	88.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-42	175.3	-62.2	-91.2	-165.6	0	0	111.4	L396 L436 R439 S445 S447 D448 D449 M454 I455 F474	L396-E451 HydrophobicContact CD2-CG 4.31Å; L436-E451 WeakPolarHBondContact CD1-OE2 3.27Å; R439-E451 IonicContact CZ-OE1 2.94Å; R439-E451 IonicContact CZ-OE2 2.73Å; R439-E451 IonicContact NE-OE1 3.98Å; R439-E451 PolarHBondContact NE-OE1 3.47Å; R439-E451 IonicContact NE-OE2 3.53Å; R439-E451 IonicContact NH2-OE1 2.69Å; R439-E451 IonicContact NH2-OE2 3.12Å; R439-E451 PolarHBondContact NH2-OE2 2.94Å; S445-E451 WeakPolarHBondContact CB-OE1 3.27Å; S445-E451 PolarHBondContact OG-OE1 2.92Å; S447-E451 WeakPolarHBondContact O-CG 3.41Å; S447-E451 PolarHBondContact O-N 2.87Å; D448-E451 PolarHBondContact O-N 3.07Å; D449-E451 VanDerWaalsContact C-N 3.32Å; D449-E451 PolarHBondContact O-N 2.88Å; E451-M454 PolarHBondContact O-N 3.04Å; E451-I455 WeakPolarHBondContact O-CG1 3.3Å; E451-I455 PolarHBondContact O-N 2.84Å; E451-I455 VanDerWaalsContact O-N 3.08Å; E451-F474 HydrophobicContact CB-CE1 4.34Å; E451-F474 HydrophobicContact CB-CE2 4.27Å; E451-F474 HydrophobicContact CB-CZ 3.51Å; E451-F474 HydrophobicContact CG-CZ 4.23Å
452	K	92.3	Very high	88.5	Confident	106 Å²	106	50.6 Å²	50.6	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-66.5	-39.1	176.5	-71.8	172.9	-170	162.3	0	112.6	D448 D449 I455 S456	D448-K452 WeakPolarHBondContact O-CG 3.31Å; D448-K452 PolarHBondContact O-N 3.41Å; D448-K452 VanDerWaalsContact O-N 3.14Å; D449-K452 PolarHBondContact O-N 3.24Å; D449-K452 IonicContact OD1-NZ 3.86Å; K452-I455 PolarHBondContact O-N 3.49Å; K452-S456 WeakPolarHBondContact O-CB 3.36Å; K452-S456 PolarHBondContact O-N 2.58Å; K452-S456 PolarHBondContact O-OG 2.66Å
453	I	93.4	Very high	89.2	Confident	63 Å²	63	48.5 Å²	48.5	32%	0.323	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-49.1	175.3	-72.4	166.4	0	0	0	109.7	D409 D449 Q450 I455 S456 K457	D409-I453 WeakPolarHBondContact OD1-CG2 3.33Å; D449-I453 VanDerWaalsContact O-CG1 3.28Å; D449-I453 WeakPolarHBondContact O-CG1 3.17Å; D449-I453 PolarHBondContact O-N 2.92Å; Q450-I453 PolarHBondContact O-N 3.27Å; I453-I455 VanDerWaalsContact C-N 3.33Å; I453-I455 PolarHBondContact O-N 3.06Å; I453-S456 WeakPolarHBondContact O-CB 3.24Å; I453-S456 PolarHBondContact O-N 2.94Å; I453-S456 VanDerWaalsContact O-N 3.11Å; I453-K457 HydrophobicContact CG2-CD 4.47Å; I453-K457 WeakPolarHBondContact O-CG 3.47Å; I453-K457 PolarHBondContact O-N 3.47Å
454	M	94.8	Very high	89.8	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-42.3	178	-174.5	63.5	-156.6	0	0	112.1	I392 F412 I416 Y432 Q450 E451 S456 K457 L458	I392-M454 HydrophobicContact CD1-CE 3.69Å; I392-M454 HydrophobicContact CG2-CE 4.48Å; I392-M454 HydrophobicContact CG2-CG 4.24Å; I392-M454 HydrophobicContact CG2-SD 4.32Å; F412-M454 HydrophobicContact CB-SD 4.04Å; F412-M454 HydrophobicContact CD1-SD 4.04Å; F412-M454 HydrophobicContact CD2-CB 4.28Å; F412-M454 HydrophobicContact CD2-SD 4.21Å; F412-M454 HydrophobicContact CE2-CB 4.19Å; F412-M454 HydrophobicContact CG-SD 3.84Å; I416-M454 HydrophobicContact CD1-CE 3.84Å; I416-M454 HydrophobicContact CG1-CE 4.47Å; Y432-M454 HydrophobicContact CE2-CG 4.31Å; Y432-M454 VanDerWaalsContact OH-CG 3.31Å; Y432-M454 WeakPolarHBondContact OH-CG 3.3Å; Q450-M454 PolarHBondContact O-N 3.26Å; E451-M454 PolarHBondContact O-N 3.04Å; M454-S456 VanDerWaalsContact C-N 3.34Å; M454-S456 PolarHBondContact O-N 2.81Å; M454-K457 PolarHBondContact O-N 3.27Å; M454-L458 HydrophobicContact CE-CD1 4.24Å; M454-L458 HydrophobicContact CE-CD2 3.99Å; M454-L458 HydrophobicContact CE-CG 3.97Å; M454-L458 WeakPolarHBondContact O-CG 3.42Å; M454-L458 PolarHBondContact O-N 2.88Å
455	I	95	Very high	90.4	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-40.6	175.7	-69.5	170.8	0	0	0	111.3	L436 E451 K452 I453 K457 L458 M459 T467 L470 E471 F474	L436-I455 HydrophobicContact CD2-CD1 4.28Å; E451-I455 WeakPolarHBondContact O-CG1 3.3Å; E451-I455 PolarHBondContact O-N 2.84Å; E451-I455 VanDerWaalsContact O-N 3.08Å; K452-I455 PolarHBondContact O-N 3.49Å; I453-I455 VanDerWaalsContact C-N 3.33Å; I453-I455 PolarHBondContact O-N 3.06Å; I455-K457 VanDerWaalsContact C-N 3.32Å; I455-K457 PolarHBondContact O-N 3.47Å; I455-L458 PolarHBondContact O-N 3Å; I455-M459 WeakPolarHBondContact O-CB 3.36Å; I455-M459 PolarHBondContact O-N 2.76Å; I455-T467 HydrophobicContact CG2-CG2 4.09Å; I455-L470 HydrophobicContact CD1-CB 3.92Å; I455-L470 HydrophobicContact CG1-CB 4.32Å; I455-L470 HydrophobicContact CG1-CD1 4.38Å; I455-E471 HydrophobicContact CG2-CG 3.9Å; I455-F474 HydrophobicContact CD1-CD2 3.82Å; I455-F474 HydrophobicContact CD1-CE2 3.47Å; I455-F474 VanDerWaalsContact CD1-CE2 3.47Å
456	S	95.6	Very high	90.9	Very high	64 Å²	64	48.7 Å²	48.7	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-38.3	178.1	-64.9	0	0	0	0	111.8	K452 I453 M454 M459 A460	K452-S456 WeakPolarHBondContact O-CB 3.36Å; K452-S456 PolarHBondContact O-N 2.58Å; K452-S456 PolarHBondContact O-OG 2.66Å; I453-S456 WeakPolarHBondContact O-CB 3.24Å; I453-S456 PolarHBondContact O-N 2.94Å; I453-S456 VanDerWaalsContact O-N 3.11Å; M454-S456 VanDerWaalsContact C-N 3.34Å; M454-S456 PolarHBondContact O-N 2.81Å; S456-M459 WeakPolarHBondContact O-CB 2.85Å; S456-M459 PolarHBondContact O-N 3.45Å; S456-A460 PolarHBondContact O-N 3.03Å
457	K	95.7	Very high	91.7	Very high	37 Å²	37	45.9 Å²	45.9	16%	0.161	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-41.7	172.8	-64.9	-178.1	-162	-89.5	0	112	D409 F412 D413 I416 I453 M454 I455 M459 A460 E461	D409-K457 WeakPolarHBondContact OD1-CE 3.44Å; D409-K457 IonicContact OD1-NZ 3.09Å; D409-K457 PolarHBondContact OD1-NZ 3.45Å; D409-K457 IonicContact OD2-NZ 3.47Å; F412-K457 HydrophobicContact CB-CD 4.08Å; D413-K457 IonicContact OD1-NZ 3.56Å; D413-K457 PolarHBondContact OD1-NZ 3.05Å; D413-K457 IonicContact OD2-NZ 2.77Å; I416-K457 HydrophobicContact CD1-CB 3.8Å; I416-K457 HydrophobicContact CG1-CB 3.9Å; I416-K457 HydrophobicContact CG1-CD 4.21Å; I453-K457 HydrophobicContact CG2-CD 4.47Å; I453-K457 WeakPolarHBondContact O-CG 3.47Å; I453-K457 PolarHBondContact O-N 3.47Å; M454-K457 PolarHBondContact O-N 3.27Å; I455-K457 VanDerWaalsContact C-N 3.32Å; I455-K457 PolarHBondContact O-N 3.47Å; K457-M459 VanDerWaalsContact C-N 3.31Å; K457-M459 PolarHBondContact O-N 3.13Å; K457-A460 PolarHBondContact O-N 2.89Å; K457-E461 PolarHBondContact O-N 3.16Å
458	L	95.7	Very high	92.1	Very high	1 Å²	1	47 Å²	47	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-36.6	173.4	-68.5	173	0	0	0	112.5	I416 F419 F428 Y432 M454 I455 E461 C462 T467 L470	I416-L458 HydrophobicContact CD1-CD2 3.97Å; I416-L458 HydrophobicContact CD1-CG 4.44Å; F419-L458 HydrophobicContact CD1-CD2 4.29Å; F419-L458 HydrophobicContact CD2-CD2 4.26Å; F419-L458 HydrophobicContact CE1-CD2 4.13Å; F419-L458 HydrophobicContact CE2-CD2 4.12Å; F419-L458 HydrophobicContact CG-CD2 4.35Å; F419-L458 HydrophobicContact CZ-CD2 4.04Å; F428-L458 HydrophobicContact CE1-CD1 4.1Å; F428-L458 HydrophobicContact CE1-CD2 3.87Å; F428-L458 HydrophobicContact CZ-CD2 4.44Å; Y432-L458 HydrophobicContact CD1-CD1 4.39Å; Y432-L458 HydrophobicContact CE1-CD1 4.22Å; M454-L458 HydrophobicContact CE-CD1 4.24Å; M454-L458 HydrophobicContact CE-CD2 3.99Å; M454-L458 HydrophobicContact CE-CG 3.97Å; M454-L458 WeakPolarHBondContact O-CG 3.42Å; M454-L458 PolarHBondContact O-N 2.88Å; I455-L458 PolarHBondContact O-N 3Å; L458-E461 PolarHBondContact O-N 2.8Å; L458-C462 PolarHBondContact O-N 3.35Å; L458-T467 HydrophobicContact CB-CG2 4Å; L458-L470 HydrophobicContact CD1-CD1 4.44Å
459	M	94.5	Very high	92.5	Very high	69 Å²	69	45.5 Å²	45.5	34%	0.34	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-39.1	176.6	-176.8	176.4	62.3	0	0	111.5	I455 S456 K457 E461 G463 A464 T467	I455-M459 WeakPolarHBondContact O-CB 3.36Å; I455-M459 PolarHBondContact O-N 2.76Å; S456-M459 WeakPolarHBondContact O-CB 2.85Å; S456-M459 PolarHBondContact O-N 3.45Å; K457-M459 VanDerWaalsContact C-N 3.31Å; K457-M459 PolarHBondContact O-N 3.13Å; M459-E461 VanDerWaalsContact C-N 3.27Å; M459-E461 PolarHBondContact O-N 3.49Å; M459-G463 WeakPolarHBondContact O-CA 3.48Å; M459-G463 PolarHBondContact O-N 3.13Å; M459-A464 HydrophobicContact CG-CB 4.37Å; M459-A464 HydrophobicContact SD-CB 4.12Å; M459-T467 HydrophobicContact CB-CG2 3.76Å
460	A	94.3	Very high	92.8	Very high	86 Å²	86	40.7 Å²	40.7	71%	0.711	24%	0.244	S	C	*	.	H	α-helix	trans	-61.7	-35.8	176.9	0	0	0	0	0	112.3	S456 K457	S456-A460 PolarHBondContact O-N 3.03Å; K457-A460 PolarHBondContact O-N 2.89Å
461	E	90.2	Very high	93	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	26%	0.259	S	S	.	.	H	α-helix	trans	-83	-41.1	-177.8	-63.8	-68	166.8	0	0	113.6	I416 F419 R420 K457 L458 M459	I416-E461 HydrophobicContact CG2-CG 3.78Å; I416-E461 WeakPolarHBondContact CG2-OE1 3.4Å; F419-E461 HydrophobicContact CD1-CB 4.36Å; F419-E461 HydrophobicContact CE1-CB 4.03Å; R420-E461 WeakPolarHBondContact CD-OE2 3.17Å; R420-E461 WeakPolarHBondContact CG-OE2 3.49Å; R420-E461 IonicContact CZ-OE1 2.69Å; R420-E461 IonicContact NE-OE1 3.6Å; R420-E461 PolarHBondContact NE-OE1 3.18Å; R420-E461 IonicContact NE-OE2 3.98Å; R420-E461 PolarHBondContact NE-OE2 3.29Å; R420-E461 IonicContact NH2-OE1 3.31Å; K457-E461 PolarHBondContact O-N 3.16Å; L458-E461 PolarHBondContact O-N 2.8Å; M459-E461 VanDerWaalsContact C-N 3.27Å; M459-E461 PolarHBondContact O-N 3.49Å
462	C	90.5	Very high	93.2	Very high	16 Å²	16	44.5 Å²	44.5	11%	0.108	27%	0.266	C	S	.	.	H	α-helix	trans	-114.6	-5.5	-172.6	-69.6	0	0	0	0	115	F419 L458 Y466	F419-C462 VanDerWaalsContact CE1-SG 3.59Å; F419-C462 VanDerWaalsContact CZ-SG 3.59Å; L458-C462 PolarHBondContact O-N 3.35Å; C462-Y466 HydrophobicContact CB-CD1 3.57Å; C462-Y466 HydrophobicContact CB-CD2 3.87Å; C462-Y466 HydrophobicContact CB-CE1 4.13Å; C462-Y466 HydrophobicContact CB-CE2 4.39Å; C462-Y466 HydrophobicContact CB-CG 3.41Å; C462-Y466 VanDerWaalsContact CB-CG 3.41Å
463	G	90.7	Very high	93.3	Very high	33 Å²	33	39.4 Å²	39.4	34%	0.34	24%	0.244	S	C	.	.			trans	83	163.4	-178.9	0	0	0	0	0	115	M459 V465 Y466	M459-G463 WeakPolarHBondContact O-CA 3.48Å; M459-G463 PolarHBondContact O-N 3.13Å; G463-V465 VanDerWaalsContact C-N 3.29Å; G463-V465 PolarHBondContact O-N 2.96Å; G463-Y466 VanDerWaalsContact O-CB 3.31Å; G463-Y466 WeakPolarHBondContact O-CB 3.46Å; G463-Y466 PolarHBondContact O-N 3.45Å
464	A	91.4	Very high	93.2	Very high	56 Å²	56	38 Å²	38	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-32.2	-174	0	0	0	0	0	114.7	M459 Y466 T467 S468	M459-A464 HydrophobicContact CG-CB 4.37Å; M459-A464 HydrophobicContact SD-CB 4.12Å; A464-Y466 PolarHBondContact O-N 3.35Å; A464-T467 PolarHBondContact O-N 3.14Å; A464-T467 PolarHBondContact O-OG1 3.23Å; A464-S468 WeakPolarHBondContact O-CB 3.38Å; A464-S468 PolarHBondContact O-N 3.03Å
465	V	89.8	Confident	93.2	Very high	110 Å²	110	45 Å²	45	67%	0.667	27%	0.265	S	S	*	.	H	α-helix	trans	-63.6	-33.2	178.4	-177.7	0	0	0	0	110.9	G463 S468 R778	G463-V465 VanDerWaalsContact C-N 3.29Å; G463-V465 PolarHBondContact O-N 2.96Å; V465-S468 PolarHBondContact O-OG 3.49Å; V465-R778 VanDerWaalsContact CG1-NH2 3.31Å
466	Y	91	Very high	93.1	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-69.2	-41.3	177.7	-178.1	-92.7	0	0	0	111.7	F419 K425 E429 C462 G463 A464	F419-Y466 HydrophobicContact CZ-CE1 4.38Å; K425-Y466 HydrophobicContact CB-CE2 4.5Å; K425-Y466 PolarHBondContact O-OH 3.4Å; E429-Y466 HydrophobicContact CB-CE2 3.92Å; E429-Y466 HydrophobicContact CG-CE1 4.42Å; E429-Y466 HydrophobicContact CG-CE2 4.2Å; C462-Y466 HydrophobicContact CB-CD1 3.57Å; C462-Y466 HydrophobicContact CB-CD2 3.87Å; C462-Y466 HydrophobicContact CB-CE1 4.13Å; C462-Y466 HydrophobicContact CB-CE2 4.39Å; C462-Y466 HydrophobicContact CB-CG 3.41Å; C462-Y466 VanDerWaalsContact CB-CG 3.41Å; G463-Y466 VanDerWaalsContact O-CB 3.31Å; G463-Y466 WeakPolarHBondContact O-CB 3.46Å; G463-Y466 PolarHBondContact O-N 3.45Å; A464-Y466 PolarHBondContact O-N 3.35Å
467	T	94.2	Very high	92.9	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-87.1	-13	-178.6	55.2	0	0	0	0	114.8	I455 L458 M459 A464 K469 L470 E471	I455-T467 HydrophobicContact CG2-CG2 4.09Å; L458-T467 HydrophobicContact CB-CG2 4Å; M459-T467 HydrophobicContact CB-CG2 3.76Å; A464-T467 PolarHBondContact O-N 3.14Å; A464-T467 PolarHBondContact O-OG1 3.23Å; T467-K469 PolarHBondContact O-N 3.36Å; T467-L470 WeakPolarHBondContact O-CA 3.45Å; T467-L470 WeakPolarHBondContact O-CB 3.48Å; T467-L470 PolarHBondContact O-N 3.24Å; T467-E471 PolarHBondContact O-N 3.07Å; T467-E471 PolarHBondContact OG1-OE1 2.88Å
468	S	93.4	Very high	92.8	Very high	54 Å²	54	45 Å²	45	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-47.3	-40.2	-175.4	62.8	0	0	0	0	115	A464 V465 G472	A464-S468 WeakPolarHBondContact O-CB 3.38Å; A464-S468 PolarHBondContact O-N 3.03Å; V465-S468 PolarHBondContact O-OG 3.49Å; S468-G472 PolarHBondContact O-N 3.42Å
469	K	92	Very high	92.7	Very high	67 Å²	67	48.2 Å²	48.2	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-40.8	177.9	-67.3	177.7	-175	165.7	0	112.2	T467 G472 M473 L511	T467-K469 PolarHBondContact O-N 3.36Å; K469-G472 PolarHBondContact O-N 3.14Å; K469-M473 WeakPolarHBondContact O-CG 3.42Å; K469-M473 PolarHBondContact O-N 3.44Å; K469-M473 VanDerWaalsContact O-N 3.08Å; K469-L511 HydrophobicContact CG-CD2 4.24Å
470	L	94.3	Very high	92.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-43.9	179.5	-53.6	177.8	0	0	0	110.7	Y432 K433 L436 I455 L458 T467 G472 M473 F474	Y432-L470 HydrophobicContact CD1-CD1 3.86Å; Y432-L470 HydrophobicContact CD1-CD2 4.18Å; Y432-L470 HydrophobicContact CE1-CD1 4.04Å; K433-L470 HydrophobicContact CB-CD2 3.83Å; K433-L470 HydrophobicContact CG-CD2 4.01Å; L436-L470 HydrophobicContact CD2-CB 4.09Å; L436-L470 HydrophobicContact CD2-CD2 3.9Å; I455-L470 HydrophobicContact CD1-CB 3.92Å; I455-L470 HydrophobicContact CG1-CB 4.32Å; I455-L470 HydrophobicContact CG1-CD1 4.38Å; L458-L470 HydrophobicContact CD1-CD1 4.44Å; T467-L470 WeakPolarHBondContact O-CA 3.45Å; T467-L470 WeakPolarHBondContact O-CB 3.48Å; T467-L470 PolarHBondContact O-N 3.24Å; L470-G472 VanDerWaalsContact C-N 3.34Å; L470-M473 HydrophobicContact CD2-SD 4.43Å; L470-M473 WeakPolarHBondContact O-CB 3.41Å; L470-M473 PolarHBondContact O-N 3.48Å; L470-F474 PolarHBondContact O-N 3.47Å
471	E	94.3	Very high	92.6	Very high	77 Å²	77	47.8 Å²	47.8	36%	0.36	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-41	175	-67.9	167.6	-169.3	0	0	111.6	I455 T467 M473 F474 K475	I455-E471 HydrophobicContact CG2-CG 3.9Å; T467-E471 PolarHBondContact O-N 3.07Å; T467-E471 PolarHBondContact OG1-OE1 2.88Å; E471-M473 VanDerWaalsContact C-N 3.26Å; E471-M473 PolarHBondContact O-N 3.19Å; E471-F474 WeakPolarHBondContact O-CB 3.25Å; E471-F474 PolarHBondContact O-N 2.88Å; E471-F474 VanDerWaalsContact O-N 3.11Å; E471-K475 PolarHBondContact O-N 3.41Å
472	G	94.6	Very high	92.8	Very high	14 Å²	14	48.1 Å²	48.1	14%	0.144	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-34.7	174.8	0	0	0	0	0	113.3	S468 K469 L470 K475 D476	S468-G472 PolarHBondContact O-N 3.42Å; K469-G472 PolarHBondContact O-N 3.14Å; L470-G472 VanDerWaalsContact C-N 3.34Å; G472-K475 PolarHBondContact O-N 3.25Å; G472-D476 PolarHBondContact O-N 3.45Å
473	M	94	Very high	93	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-40.2	173.5	-66.8	165.2	60.8	0	0	112	K433 L436 A437 L440 K469 L470 E471 D476 M477 W512	K433-M473 HydrophobicContact CG-SD 3.83Å; L436-M473 HydrophobicContact CB-CE 4.28Å; L436-M473 HydrophobicContact CD2-CE 4.06Å; L436-M473 HydrophobicContact CD2-SD 4.29Å; L436-M473 HydrophobicContact CG-CE 3.95Å; A437-M473 HydrophobicContact CB-CE 3.62Å; L440-M473 HydrophobicContact CD1-CB 4.08Å; L440-M473 HydrophobicContact CD1-CE 4.21Å; K469-M473 WeakPolarHBondContact O-CG 3.42Å; K469-M473 PolarHBondContact O-N 3.44Å; K469-M473 VanDerWaalsContact O-N 3.08Å; L470-M473 HydrophobicContact CD2-SD 4.43Å; L470-M473 WeakPolarHBondContact O-CB 3.41Å; L470-M473 PolarHBondContact O-N 3.48Å; E471-M473 VanDerWaalsContact C-N 3.26Å; E471-M473 PolarHBondContact O-N 3.19Å; M473-D476 PolarHBondContact O-N 2.95Å; M473-M477 WeakPolarHBondContact O-CG 3.48Å; M473-M477 PolarHBondContact O-N 3.14Å; M473-M477 VanDerWaalsContact O-N 3.1Å; M473-W512 HydrophobicContact CB-CD2 4.46Å; M473-W512 HydrophobicContact CB-CH2 3.99Å; M473-W512 HydrophobicContact CB-CZ2 3.58Å; M473-W512 HydrophobicContact CE-CD2 4.2Å; M473-W512 HydrophobicContact CE-CE3 3.72Å; M473-W512 HydrophobicContact CE-CH2 4.08Å; M473-W512 HydrophobicContact CE-CZ3 3.65Å; M473-W512 HydrophobicContact CG-CD2 3.87Å; M473-W512 HydrophobicContact CG-CE3 4.34Å; M473-W512 HydrophobicContact CG-CG 4.26Å; M473-W512 HydrophobicContact CG-CH2 4.37Å; M473-W512 HydrophobicContact CG-CZ2 3.92Å; M473-W512 WeakPolarHBondContact O-CZ2 3.48Å
474	F	92	Very high	93.2	Very high	32 Å²	32	46.9 Å²	46.9	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-41.2	173.6	-85.6	-82.6	0	0	0	112.2	L436 L440 E451 I455 L470 E471 D476 M477 A478	L436-F474 HydrophobicContact CD1-CE2 3.94Å; L436-F474 HydrophobicContact CD1-CZ 4.15Å; L436-F474 HydrophobicContact CD2-CE2 4.16Å; L440-F474 HydrophobicContact CD1-CE2 4.41Å; L440-F474 HydrophobicContact CD1-CZ 4.49Å; L440-F474 HydrophobicContact CD2-CD1 4.4Å; L440-F474 HydrophobicContact CD2-CE1 3.77Å; L440-F474 HydrophobicContact CD2-CZ 3.82Å; E451-F474 HydrophobicContact CB-CE1 4.34Å; E451-F474 HydrophobicContact CB-CE2 4.27Å; E451-F474 HydrophobicContact CB-CZ 3.51Å; E451-F474 HydrophobicContact CG-CZ 4.23Å; I455-F474 HydrophobicContact CD1-CD2 3.82Å; I455-F474 HydrophobicContact CD1-CE2 3.47Å; I455-F474 VanDerWaalsContact CD1-CE2 3.47Å; L470-F474 PolarHBondContact O-N 3.47Å; E471-F474 WeakPolarHBondContact O-CB 3.25Å; E471-F474 PolarHBondContact O-N 2.88Å; E471-F474 VanDerWaalsContact O-N 3.11Å; F474-D476 VanDerWaalsContact C-N 3.34Å; F474-D476 PolarHBondContact O-N 3.34Å; F474-M477 PolarHBondContact O-N 3.24Å; F474-A478 PolarHBondContact O-N 2.98Å
475	K	93.6	Very high	93.3	Very high	148 Å²	148	48.6 Å²	48.6	64%	0.643	26%	0.263	S	S	*	.	H	α-helix	trans	-61.1	-44.2	176.3	-170.8	175.5	-178.5	176.1	0	111.3	E471 G472 M477 A478 V479	E471-K475 PolarHBondContact O-N 3.41Å; G472-K475 PolarHBondContact O-N 3.25Å; K475-M477 VanDerWaalsContact C-N 3.3Å; K475-M477 PolarHBondContact O-N 2.94Å; K475-A478 PolarHBondContact O-N 2.95Å; K475-V479 HydrophobicContact CG-CG2 4.27Å; K475-V479 WeakPolarHBondContact O-CB 3.31Å; K475-V479 VanDerWaalsContact O-CG2 3.27Å; K475-V479 WeakPolarHBondContact O-CG2 3.36Å; K475-V479 PolarHBondContact O-N 3.44Å
476	D	94.1	Very high	93.5	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-39.9	175.4	-79	-13	0	0	0	111.9	G472 M473 F474 S480 T508 W512	G472-D476 PolarHBondContact O-N 3.45Å; M473-D476 PolarHBondContact O-N 2.95Å; F474-D476 VanDerWaalsContact C-N 3.34Å; F474-D476 PolarHBondContact O-N 3.34Å; D476-S480 WeakPolarHBondContact O-CB 3.18Å; D476-S480 PolarHBondContact O-N 3.22Å; D476-S480 PolarHBondContact O-OG 2.99Å; D476-T508 PolarHBondContact OD1-OG1 3.15Å; D476-T508 VanDerWaalsContact OD2-CB 3.3Å; D476-T508 WeakPolarHBondContact OD2-CB 3.42Å; D476-T508 PolarHBondContact OD2-N 3.49Å; D476-T508 PolarHBondContact OD2-OG1 3.08Å; D476-W512 HydrophobicContact CB-CZ2 4.2Å; D476-W512 PolarHBondContact OD2-NE1 3.41Å
477	M	91.2	Very high	93.7	Very high	33 Å²	33	47 Å²	47	16%	0.163	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-44.5	176.7	-70.7	-59.8	94	0	0	112.1	L440 L441 M473 F474 K475 K481 R505 L507 W512	L440-M477 HydrophobicContact CB-CG 4.31Å; L440-M477 HydrophobicContact CB-SD 4.43Å; L440-M477 HydrophobicContact CD1-CG 4.21Å; L441-M477 HydrophobicContact CD2-CE 4.05Å; L441-M477 HydrophobicContact CD2-SD 4.31Å; M473-M477 WeakPolarHBondContact O-CG 3.48Å; M473-M477 PolarHBondContact O-N 3.14Å; M473-M477 VanDerWaalsContact O-N 3.1Å; F474-M477 PolarHBondContact O-N 3.24Å; K475-M477 VanDerWaalsContact C-N 3.3Å; K475-M477 PolarHBondContact O-N 2.94Å; M477-K481 PolarHBondContact O-N 3.15Å; M477-K481 VanDerWaalsContact O-N 3.11Å; M477-R505 HydrophobicContact CE-CB 4.41Å; M477-L507 HydrophobicContact CE-CD2 3.12Å; M477-W512 HydrophobicContact CE-CH2 3.56Å; M477-W512 HydrophobicContact CE-CZ2 3.46Å; M477-W512 VanDerWaalsContact CE-CZ2 3.46Å; M477-W512 HydrophobicContact CG-CH2 4.08Å; M477-W512 HydrophobicContact CG-CZ2 4.25Å; M477-W512 HydrophobicContact SD-CH2 4.05Å; M477-W512 HydrophobicContact SD-CZ2 4.42Å
478	A	92.2	Very high	93.5	Very high	60 Å²	60	50.2 Å²	50.2	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-64.9	-48.5	177.7	0	0	0	0	0	111.7	F474 K475 S480 K481 T482	F474-A478 PolarHBondContact O-N 2.98Å; K475-A478 PolarHBondContact O-N 2.95Å; A478-S480 VanDerWaalsContact C-N 3.32Å; A478-S480 PolarHBondContact O-N 3.5Å; A478-K481 WeakPolarHBondContact O-CB 3.3Å; A478-K481 PolarHBondContact O-N 3.05Å; A478-K481 VanDerWaalsContact O-N 3.16Å; A478-T482 PolarHBondContact O-N 3.04Å; A478-T482 VanDerWaalsContact O-N 3.1Å; A478-T482 PolarHBondContact O-OG1 3.17Å
479	V	94.3	Very high	93.4	Very high	67 Å²	67	49.9 Å²	49.9	41%	0.406	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-41	178.2	171.6	0	0	0	0	111	K475 K481 T482 L483	K475-V479 HydrophobicContact CG-CG2 4.27Å; K475-V479 WeakPolarHBondContact O-CB 3.31Å; K475-V479 VanDerWaalsContact O-CG2 3.27Å; K475-V479 WeakPolarHBondContact O-CG2 3.36Å; K475-V479 PolarHBondContact O-N 3.44Å; V479-K481 VanDerWaalsContact C-N 3.3Å; V479-K481 PolarHBondContact O-N 3.35Å; V479-T482 PolarHBondContact O-N 2.87Å; V479-L483 HydrophobicContact CG1-CD1 3.93Å; V479-L483 HydrophobicContact CG1-CG 4.29Å; V479-L483 WeakPolarHBondContact O-CB 3.35Å; V479-L483 WeakPolarHBondContact O-CG 3.36Å; V479-L483 PolarHBondContact O-N 2.96Å
480	S	93.6	Very high	93.3	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-41.1	175.5	-69.4	0	0	0	0	112.2	D476 A478 L483 M484 V506	D476-S480 WeakPolarHBondContact O-CB 3.18Å; D476-S480 PolarHBondContact O-N 3.22Å; D476-S480 PolarHBondContact O-OG 2.99Å; A478-S480 VanDerWaalsContact C-N 3.32Å; A478-S480 PolarHBondContact O-N 3.5Å; S480-L483 PolarHBondContact O-N 3.46Å; S480-M484 WeakPolarHBondContact O-CB 3.33Å; S480-M484 PolarHBondContact O-N 3.12Å; S480-V506 PolarHBondContact OG-N 2.95Å; S480-V506 PolarHBondContact OG-O 3.27Å
481	K	92.4	Very high	93	Very high	143 Å²	143	51.7 Å²	51.7	62%	0.622	28%	0.281	S	S	*	.	H	α-helix	trans	-62.7	-49	176.9	-173.3	-178.7	177.2	-175.5	0	111	M477 A478 V479 L483 M484 D485	M477-K481 PolarHBondContact O-N 3.15Å; M477-K481 VanDerWaalsContact O-N 3.11Å; A478-K481 WeakPolarHBondContact O-CB 3.3Å; A478-K481 PolarHBondContact O-N 3.05Å; A478-K481 VanDerWaalsContact O-N 3.16Å; V479-K481 VanDerWaalsContact C-N 3.3Å; V479-K481 PolarHBondContact O-N 3.35Å; K481-L483 PolarHBondContact O-N 3.49Å; K481-M484 WeakPolarHBondContact O-CB 3.44Å; K481-M484 PolarHBondContact O-N 2.79Å; K481-M484 VanDerWaalsContact O-N 3.09Å; K481-D485 PolarHBondContact O-N 2.72Å
482	T	95.3	Very high	92.6	Very high	76 Å²	76	52 Å²	52	47%	0.466	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-44.8	177	-55	0	0	0	0	112.1	A478 V479 M484 D485 E486	A478-T482 PolarHBondContact O-N 3.04Å; A478-T482 VanDerWaalsContact O-N 3.1Å; A478-T482 PolarHBondContact O-OG1 3.17Å; V479-T482 PolarHBondContact O-N 2.87Å; T482-M484 PolarHBondContact O-N 3.11Å; T482-D485 PolarHBondContact O-N 2.66Å; T482-E486 WeakPolarHBondContact O-CG 3.35Å; T482-E486 PolarHBondContact O-N 2.75Å
483	L	94.7	Very high	92.2	Very high	11 Å²	11	58 Å²	58	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-34.7	176	-75	172.5	0	0	0	112.4	V479 S480 K481 F487 Y538	V479-L483 HydrophobicContact CG1-CD1 3.93Å; V479-L483 HydrophobicContact CG1-CG 4.29Å; V479-L483 WeakPolarHBondContact O-CB 3.35Å; V479-L483 WeakPolarHBondContact O-CG 3.36Å; V479-L483 PolarHBondContact O-N 2.96Å; S480-L483 PolarHBondContact O-N 3.46Å; K481-L483 PolarHBondContact O-N 3.49Å; L483-F487 WeakPolarHBondContact O-CB 3.32Å; L483-F487 PolarHBondContact O-N 2.83Å; L483-Y538 HydrophobicContact CD1-CD2 4.16Å; L483-Y538 HydrophobicContact CD1-CE2 3.81Å
484	M	94.5	Very high	91.5	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.064	34%	0.343	C	S	.	.	H	α-helix	trans	-70.3	-42.8	177.4	-162.5	64.2	-122.8	0	0	111.5	S480 K481 T482 E486 F487 N488 L502 V504 Y534	S480-M484 WeakPolarHBondContact O-CB 3.33Å; S480-M484 PolarHBondContact O-N 3.12Å; K481-M484 WeakPolarHBondContact O-CB 3.44Å; K481-M484 PolarHBondContact O-N 2.79Å; K481-M484 VanDerWaalsContact O-N 3.09Å; T482-M484 PolarHBondContact O-N 3.11Å; M484-E486 VanDerWaalsContact C-N 3.34Å; M484-E486 PolarHBondContact O-N 3.49Å; M484-F487 HydrophobicContact CE-CB 4.31Å; M484-F487 HydrophobicContact CE-CD1 3.41Å; M484-F487 VanDerWaalsContact CE-CD1 3.41Å; M484-F487 HydrophobicContact CE-CE1 4.14Å; M484-F487 HydrophobicContact CE-CG 4.29Å; M484-F487 PolarHBondContact O-N 3.4Å; M484-N488 VanDerWaalsContact CE-OD1 3.23Å; M484-N488 WeakPolarHBondContact CE-OD1 3.47Å; M484-N488 WeakPolarHBondContact O-CB 3.4Å; M484-N488 VanDerWaalsContact O-CG 3.28Å; M484-N488 PolarHBondContact O-N 2.88Å; M484-N488 PolarHBondContact O-ND2 3.47Å; M484-L502 WeakPolarHBondContact CE-O 3.19Å; M484-V504 PolarHBondContact SD-N 3.46Å; M484-V504 VanDerWaalsContact SD-N 3.42Å; M484-Y534 HydrophobicContact SD-CE2 4.33Å
485	D	94.2	Very high	90.6	Very high	91 Å²	91	66.1 Å²	66.1	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-43.8	175.4	-64.6	-26.7	0	0	0	110.9	K481 T482 N488 A489	K481-D485 PolarHBondContact O-N 2.72Å; T482-D485 PolarHBondContact O-N 2.66Å; D485-N488 PolarHBondContact O-N 2.87Å; D485-A489 PolarHBondContact O-N 3.22Å
486	E	94.3	Very high	89.7	Confident	75 Å²	75	67.4 Å²	67.4	35%	0.35	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-41.2	174.6	-71	174.8	-175.8	0	0	112.7	T482 M484 A489 V490 F537 K541	T482-E486 WeakPolarHBondContact O-CG 3.35Å; T482-E486 PolarHBondContact O-N 2.75Å; M484-E486 VanDerWaalsContact C-N 3.34Å; M484-E486 PolarHBondContact O-N 3.49Å; E486-A489 PolarHBondContact O-N 3.49Å; E486-V490 WeakPolarHBondContact O-CG2 3.5Å; E486-V490 PolarHBondContact O-N 3.16Å; E486-V490 VanDerWaalsContact O-N 3.09Å; E486-F537 HydrophobicContact CB-CZ 4.01Å; E486-K541 IonicContact OE2-NZ 3.69Å; E486-K541 PolarHBondContact OE2-NZ 3.36Å
487	F	93.9	Very high	89	Confident	3 Å²	3	72.9 Å²	72.9	1%	0.013	41%	0.406	C	S	.	.	H	α-helix	trans	-63.8	-44.5	176.9	178.7	-107.6	0	0	0	111.6	L483 M484 A489 V490 L491 L498 L502 V533 Y534 F537	L483-F487 WeakPolarHBondContact O-CB 3.32Å; L483-F487 PolarHBondContact O-N 2.83Å; M484-F487 HydrophobicContact CE-CB 4.31Å; M484-F487 HydrophobicContact CE-CD1 3.41Å; M484-F487 VanDerWaalsContact CE-CD1 3.41Å; M484-F487 HydrophobicContact CE-CE1 4.14Å; M484-F487 HydrophobicContact CE-CG 4.29Å; M484-F487 PolarHBondContact O-N 3.4Å; F487-A489 VanDerWaalsContact C-N 3.3Å; F487-A489 PolarHBondContact O-N 3.41Å; F487-V490 PolarHBondContact O-N 2.93Å; F487-V490 VanDerWaalsContact O-N 3.12Å; F487-L491 HydrophobicContact CD1-CD1 3.82Å; F487-L491 HydrophobicContact CD1-CG 4.28Å; F487-L491 HydrophobicContact CE1-CD1 3.39Å; F487-L491 HydrophobicContact CE1-CD2 4.48Å; F487-L491 HydrophobicContact CE1-CG 4.01Å; F487-L491 HydrophobicContact CE2-CD2 4.42Å; F487-L491 HydrophobicContact CE2-CG 4.42Å; F487-L491 HydrophobicContact CZ-CD1 3.86Å; F487-L491 HydrophobicContact CZ-CD2 4.1Å; F487-L491 HydrophobicContact CZ-CG 4.09Å; F487-L491 PolarHBondContact O-N 3.26Å; F487-L498 HydrophobicContact CE1-CD1 4.07Å; F487-L498 HydrophobicContact CZ-CD1 4.1Å; F487-L502 HydrophobicContact CE1-CD2 4.43Å; F487-V533 HydrophobicContact CE2-CG1 4.12Å; F487-V533 HydrophobicContact CZ-CG1 4.11Å; F487-Y534 HydrophobicContact CB-CD2 4.4Å; F487-Y534 HydrophobicContact CB-CE2 4.32Å; F487-Y534 AromaticContact CD1-CD2 3.94Å; F487-Y534 HydrophobicContact CD1-CD2 3.94Å; F487-Y534 AromaticContact CD2-CD2 3.9Å; F487-Y534 HydrophobicContact CD2-CD2 3.9Å; F487-Y534 HydrophobicContact CE1-CD2 4.03Å; F487-Y534 HydrophobicContact CE2-CD2 4.06Å; F487-Y534 AromaticContact CG-CD2 3.81Å; F487-Y534 HydrophobicContact CG-CD2 3.81Å; F487-Y534 HydrophobicContact CG-CE2 4.23Å; F487-Y534 HydrophobicContact CZ-CD2 4.09Å; F487-F537 HydrophobicContact CB-CD1 4.05Å; F487-F537 HydrophobicContact CB-CE1 3.73Å; F487-F537 HydrophobicContact CB-CE2 4.42Å; F487-F537 HydrophobicContact CB-CZ 3.93Å; F487-F537 HydrophobicContact CD2-CB 3.77Å; F487-F537 AromaticContact CD2-CD1 3.6Å; F487-F537 HydrophobicContact CD2-CD1 3.6Å; F487-F537 HydrophobicContact CD2-CD2 4.02Å; F487-F537 HydrophobicContact CD2-CE1 4.17Å; F487-F537 AromaticContact CD2-CG 3.52Å; F487-F537 HydrophobicContact CD2-CG 3.52Å; F487-F537 HydrophobicContact CE2-CB 3.95Å; F487-F537 HydrophobicContact CE2-CD1 4.49Å; F487-F537 HydrophobicContact CE2-CG 4.23Å; F487-F537 HydrophobicContact CG-CD1 4.22Å; F487-F537 HydrophobicContact CG-CE1 4.4Å; F487-F537 HydrophobicContact CG-CG 4.48Å
488	N	91.6	Very high	88.4	Confident	68 Å²	68	72.6 Å²	72.6	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-39.6	177.6	-72.8	-23.8	0	0	0	111.7	M484 D485 V490 L491 S492	M484-N488 VanDerWaalsContact CE-OD1 3.23Å; M484-N488 WeakPolarHBondContact CE-OD1 3.47Å; M484-N488 WeakPolarHBondContact O-CB 3.4Å; M484-N488 VanDerWaalsContact O-CG 3.28Å; M484-N488 PolarHBondContact O-N 2.88Å; M484-N488 PolarHBondContact O-ND2 3.47Å; D485-N488 PolarHBondContact O-N 2.87Å; N488-V490 VanDerWaalsContact C-N 3.35Å; N488-V490 PolarHBondContact O-N 3.27Å; N488-L491 PolarHBondContact O-N 3.25Å; N488-S492 PolarHBondContact O-N 2.89Å; N488-S492 PolarHBondContact O-OG 3.41Å
489	A	91.1	Very high	88	Confident	47 Å²	47	76.1 Å²	76.1	39%	0.388	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-37.2	174	0	0	0	0	0	112.8	D485 E486 F487 S492 N493	D485-A489 PolarHBondContact O-N 3.22Å; E486-A489 PolarHBondContact O-N 3.49Å; F487-A489 VanDerWaalsContact C-N 3.3Å; F487-A489 PolarHBondContact O-N 3.41Å; A489-S492 WeakPolarHBondContact CA-OG 3.3Å; A489-S492 PolarHBondContact O-OG 2.89Å; A489-N493 WeakPolarHBondContact O-CB 3.33Å; A489-N493 PolarHBondContact O-N 3.38Å; A489-N493 VanDerWaalsContact O-N 3.09Å; A489-N493 PolarHBondContact O-ND2 2.84Å
490	V	88.9	Confident	87.7	Confident	79 Å²	79	75.8 Å²	75.8	48%	0.479	41%	0.412	S	S	.	.	H	α-helix	trans	-67.3	-39.9	174.9	171.1	0	0	0	0	111.3	E486 F487 N488 N493 G494 F537	E486-V490 WeakPolarHBondContact O-CG2 3.5Å; E486-V490 PolarHBondContact O-N 3.16Å; E486-V490 VanDerWaalsContact O-N 3.09Å; F487-V490 PolarHBondContact O-N 2.93Å; F487-V490 VanDerWaalsContact O-N 3.12Å; N488-V490 VanDerWaalsContact C-N 3.35Å; N488-V490 PolarHBondContact O-N 3.27Å; V490-N493 PolarHBondContact O-N 3.36Å; V490-G494 PolarHBondContact O-N 3.21Å; V490-F537 HydrophobicContact CG2-CD2 4.46Å; V490-F537 HydrophobicContact CG2-CE2 4.09Å
491	L	88.5	Confident	87.5	Confident	27 Å²	27	82.9 Å²	82.9	14%	0.141	45%	0.449	C	S	.	.	H	α-helix	trans	-64.3	-44.8	176.9	-70.7	178.8	0	0	0	112.1	F487 N488 N493 G494 N495 R496 L498 V533	F487-L491 HydrophobicContact CD1-CD1 3.82Å; F487-L491 HydrophobicContact CD1-CG 4.28Å; F487-L491 HydrophobicContact CE1-CD1 3.39Å; F487-L491 HydrophobicContact CE1-CD2 4.48Å; F487-L491 HydrophobicContact CE1-CG 4.01Å; F487-L491 HydrophobicContact CE2-CD2 4.42Å; F487-L491 HydrophobicContact CE2-CG 4.42Å; F487-L491 HydrophobicContact CZ-CD1 3.86Å; F487-L491 HydrophobicContact CZ-CD2 4.1Å; F487-L491 HydrophobicContact CZ-CG 4.09Å; F487-L491 PolarHBondContact O-N 3.26Å; N488-L491 PolarHBondContact O-N 3.25Å; L491-N493 VanDerWaalsContact C-N 3.34Å; L491-N493 PolarHBondContact O-N 3.31Å; L491-G494 PolarHBondContact O-N 3.05Å; L491-N495 PolarHBondContact O-N 3.36Å; L491-R496 HydrophobicContact CD2-CB 4.07Å; L491-R496 PolarHBondContact O-N 2.84Å; L491-L498 HydrophobicContact CD1-CD1 3.64Å; L491-L498 HydrophobicContact CD1-CG 4.19Å; L491-L498 HydrophobicContact CD2-CD1 4.26Å; L491-L498 HydrophobicContact CD2-CG 4.21Å; L491-V533 HydrophobicContact CD2-CG1 4.47Å
492	S	86.5	Confident	87.5	Confident	83 Å²	83	77.6 Å²	77.6	58%	0.58	43%	0.428	S	S	*	.	H	α-helix	trans	-63.4	-40.4	178.3	61.1	0	0	0	0	111.9	N488 A489	N488-S492 PolarHBondContact O-N 2.89Å; N488-S492 PolarHBondContact O-OG 3.41Å; A489-S492 WeakPolarHBondContact CA-OG 3.3Å; A489-S492 PolarHBondContact O-OG 2.89Å
493	N	85.8	Confident	87.3	Confident	141 Å²	141	77.9 Å²	77.9	75%	0.754	43%	0.432	S	S	*	.	H	α-helix	trans	-74.9	-34.1	-179.8	-67.6	-9.9	0	0	0	112.7	A489 V490 L491 N495	A489-N493 WeakPolarHBondContact O-CB 3.33Å; A489-N493 PolarHBondContact O-N 3.38Å; A489-N493 VanDerWaalsContact O-N 3.09Å; A489-N493 PolarHBondContact O-ND2 2.84Å; V490-N493 PolarHBondContact O-N 3.36Å; L491-N493 VanDerWaalsContact C-N 3.34Å; L491-N493 PolarHBondContact O-N 3.31Å; N493-N495 VanDerWaalsContact C-N 3.29Å; N493-N495 PolarHBondContact O-N 3.06Å
494	G	78.7	Confident	87.1	Confident	46 Å²	46	78.2 Å²	78.2	47%	0.474	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.8	-179.7	0	0	0	0	0	114.7	V490 L491 R496	V490-G494 PolarHBondContact O-N 3.21Å; L491-G494 PolarHBondContact O-N 3.05Å; G494-R496 PolarHBondContact O-N 3.13Å; G494-R496 VanDerWaalsContact O-N 3.11Å
495	N	73	Confident	87	Confident	157 Å²	157	81.5 Å²	81.5	84%	0.84	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	34.4	-171.2	-150.7	22.9	0	0	0	113	L491 N493	L491-N495 PolarHBondContact O-N 3.36Å; N493-N495 VanDerWaalsContact C-N 3.29Å; N493-N495 PolarHBondContact O-N 3.06Å
496	R	74.6	Confident	86.9	Confident	174 Å²	174	78.4 Å²	78.4	66%	0.657	43%	0.43	S	S	*	.			trans	-93.1	106.8	-180	-73.4	-173.4	177.8	-178.4	-0.4	108.9	L491 G494	L491-R496 HydrophobicContact CD2-CB 4.07Å; L491-R496 PolarHBondContact O-N 2.84Å; G494-R496 PolarHBondContact O-N 3.13Å; G494-R496 VanDerWaalsContact O-N 3.11Å
497	N	78.6	Confident	86.8	Confident	132 Å²	132	77 Å²	77	71%	0.706	43%	0.425	S	S	*	.			trans	-88	122.6	174.7	-170.1	-0.2	0	0	0	110.5	N499	N497-N499 VanDerWaalsContact C-N 3.34Å; N497-N499 PolarHBondContact ND2-OD1 3.19Å; N497-N499 PolarHBondContact OD1-N 2.82Å
498	L	80.5	Confident	86.7	Confident	27 Å²	27	80 Å²	80	14%	0.141	44%	0.443	C	S	.	.			trans	-84.7	-6.8	177	-66.6	180	0	0	0	113.3	F487 L491 L500 L502 A530 V533	F487-L498 HydrophobicContact CE1-CD1 4.07Å; F487-L498 HydrophobicContact CZ-CD1 4.1Å; L491-L498 HydrophobicContact CD1-CD1 3.64Å; L491-L498 HydrophobicContact CD1-CG 4.19Å; L491-L498 HydrophobicContact CD2-CD1 4.26Å; L491-L498 HydrophobicContact CD2-CG 4.21Å; L498-L500 PolarHBondContact O-N 3.09Å; L498-L502 HydrophobicContact CD1-CB 4.48Å; L498-A530 HydrophobicContact CB-CB 4.49Å; L498-A530 HydrophobicContact CD1-CB 4.27Å; L498-A530 HydrophobicContact CD2-CB 4.42Å; L498-V533 HydrophobicContact CD2-CB 4.09Å; L498-V533 HydrophobicContact CD2-CG1 4.16Å; L498-V533 HydrophobicContact CD2-CG2 4.03Å
499	N	82.4	Confident	86.5	Confident	134 Å²	134	83.2 Å²	83.2	72%	0.717	47%	0.466	S	S	*	.	S	Bend	trans	58.3	9.2	-172.1	-59.3	-32.2	0	0	0	114.8	N497	N497-N499 VanDerWaalsContact C-N 3.34Å; N497-N499 PolarHBondContact ND2-OD1 3.19Å; N497-N499 PolarHBondContact OD1-N 2.82Å
500	L	89.2	Confident	86.2	Confident	60 Å²	60	83.5 Å²	83.5	31%	0.314	47%	0.474	S	S	.	.	S	Bend	trans	-150.8	156.9	173.9	66.8	86.1	0	0	0	110.5	L498 L502 E526 A530	L498-L500 PolarHBondContact O-N 3.09Å; L500-L502 HydrophobicContact CD1-CB 3.67Å; L500-L502 HydrophobicContact CD1-CD1 4.35Å; L500-E526 HydrophobicContact CD2-CB 4.03Å; L500-E526 WeakPolarHBondContact CD2-O 3.31Å; L500-A530 HydrophobicContact CD1-CB 3.82Å; L500-A530 HydrophobicContact CD2-CB 3.85Å; L500-A530 HydrophobicContact CG-CB 4.02Å
501	D	89.5	Confident	86.2	Confident	153 Å²	153	81.7 Å²	81.7	82%	0.818	46%	0.461	S	S	*	.			trans	-88.8	113.4	170.9	-175.4	13.6	0	0	0	109.6
502	L	91.6	Very high	86.3	Confident	32 Å²	32	80.9 Å²	80.9	17%	0.168	46%	0.456	C	S	.	.			trans	-106.3	122	-175.6	-178.3	67.9	0	0	0	110	M484 F487 L498 L500 V504 A530	M484-L502 WeakPolarHBondContact CE-O 3.19Å; F487-L502 HydrophobicContact CE1-CD2 4.43Å; L498-L502 HydrophobicContact CD1-CB 4.48Å; L500-L502 HydrophobicContact CD1-CB 3.67Å; L500-L502 HydrophobicContact CD1-CD1 4.35Å; L502-V504 HydrophobicContact CD1-CG2 4Å; L502-V504 HydrophobicContact CD2-CG2 3.76Å; L502-V504 HydrophobicContact CG-CG2 3.71Å; L502-A530 HydrophobicContact CD2-CB 4.15Å
503	C	90.9	Very high	86	Confident	83 Å²	83	79 Å²	79	56%	0.561	44%	0.442	S	S	*	.			trans	-115.1	114.5	168.5	-174.2	0	0	0	0	110.2
504	V	91.9	Very high	85.3	Confident	17 Å²	17	74.6 Å²	74.6	10%	0.103	42%	0.421	C	S	.	.			trans	-109.8	136.2	177.6	-171.6	0	0	0	0	110.4	M484 L502 V506 Y534	M484-V504 PolarHBondContact SD-N 3.46Å; M484-V504 VanDerWaalsContact SD-N 3.42Å; L502-V504 HydrophobicContact CD1-CG2 4Å; L502-V504 HydrophobicContact CD2-CG2 3.76Å; L502-V504 HydrophobicContact CG-CG2 3.71Å; V504-V506 HydrophobicContact CG1-CG2 4.39Å; V504-Y534 HydrophobicContact CB-CD1 3.98Å; V504-Y534 HydrophobicContact CB-CD2 4.19Å; V504-Y534 HydrophobicContact CB-CE1 3.7Å; V504-Y534 HydrophobicContact CB-CE2 3.91Å; V504-Y534 HydrophobicContact CB-CG 4.22Å; V504-Y534 HydrophobicContact CG1-CD1 3.85Å; V504-Y534 HydrophobicContact CG1-CE1 3.43Å; V504-Y534 VanDerWaalsContact CG1-CE1 3.43Å; V504-Y534 HydrophobicContact CG2-CD1 3.81Å; V504-Y534 HydrophobicContact CG2-CD2 3.94Å; V504-Y534 HydrophobicContact CG2-CE1 4.08Å; V504-Y534 HydrophobicContact CG2-CE2 4.18Å; V504-Y534 HydrophobicContact CG2-CG 3.74Å
505	R	91	Very high	84.6	Confident	82 Å²	82	77.6 Å²	77.6	31%	0.309	42%	0.422	S	S	.	.			trans	-117	122.2	171.7	-61.5	179.9	-174.6	134.2	-10.1	109.1	L441 M477 L507	L441-R505 PolarHBondContact O-NH1 3.39Å; M477-R505 HydrophobicContact CE-CB 4.41Å; R505-L507 HydrophobicContact CB-CD2 4.35Å
506	V	92.5	Very high	84	Confident	26 Å²	26	74.1 Å²	74.1	16%	0.158	42%	0.415	C	S	.	.			trans	-98.7	119.5	-178	-176.7	0	0	0	0	109	S480 V504 Y534 Y538	S480-V506 PolarHBondContact OG-N 2.95Å; S480-V506 PolarHBondContact OG-O 3.27Å; V504-V506 HydrophobicContact CG1-CG2 4.39Å; V506-Y534 HydrophobicContact CG2-CE1 4.08Å; V506-Y534 WeakPolarHBondContact CG2-OH 3.37Å; V506-Y538 HydrophobicContact CB-CE2 4.19Å; V506-Y538 HydrophobicContact CG1-CE2 3.76Å; V506-Y538 HydrophobicContact CG2-CD2 3.98Å; V506-Y538 HydrophobicContact CG2-CE2 3.85Å
507	L	91.9	Very high	83.5	Confident	45 Å²	45	68 Å²	68	24%	0.236	40%	0.398	C	S	.	.			trans	-112.9	133.5	-173.3	-47	-176.2	0	0	0	110.1	L441 M477 R505 T509 W512	L441-L507 HydrophobicContact CD1-CD1 4.25Å; L441-L507 HydrophobicContact CD2-CD1 3.98Å; L441-L507 HydrophobicContact CD2-CD2 4.14Å; M477-L507 HydrophobicContact CE-CD2 3.12Å; R505-L507 HydrophobicContact CB-CD2 4.35Å; L507-T509 PolarHBondContact O-N 3.34Å; L507-W512 HydrophobicContact CB-CD2 4.36Å; L507-W512 HydrophobicContact CB-CG 4.11Å; L507-W512 HydrophobicContact CD1-CD2 4.04Å; L507-W512 HydrophobicContact CD1-CE3 4.2Å; L507-W512 HydrophobicContact CD1-CG 4.32Å; L507-W512 HydrophobicContact CD2-CD2 4.33Å; L507-W512 HydrophobicContact CD2-CH2 4.31Å; L507-W512 HydrophobicContact CD2-CZ2 3.81Å; L507-W512 HydrophobicContact CG-CD2 4.48Å
508	T	92.6	Very high	82.8	Confident	66 Å²	66	68.6 Å²	68.6	41%	0.405	40%	0.401	S	S	.	.			trans	-75	123.3	178.3	-59.9	0	0	0	0	110.2	D476 G510 L511	D476-T508 PolarHBondContact OD1-OG1 3.15Å; D476-T508 VanDerWaalsContact OD2-CB 3.3Å; D476-T508 WeakPolarHBondContact OD2-CB 3.42Å; D476-T508 PolarHBondContact OD2-N 3.49Å; D476-T508 PolarHBondContact OD2-OG1 3.08Å; T508-G510 PolarHBondContact O-N 3.37Å; T508-L511 HydrophobicContact CG2-CD1 4Å; T508-L511 HydrophobicContact CG2-CG 4.09Å; T508-L511 PolarHBondContact O-N 2.86Å
509	T	87.6	Confident	82.1	Confident	136 Å²	136	69.1 Å²	69.1	83%	0.834	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	133.1	177.7	-58.2	0	0	0	0	110.4	L507	L507-T509 PolarHBondContact O-N 3.34Å
510	G	85.1	Confident	81.8	Confident	54 Å²	54	68.7 Å²	68.7	56%	0.557	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-21.8	-179.1	0	0	0	0	0	115.1	T508	T508-G510 PolarHBondContact O-N 3.37Å
511	L	88.9	Confident	81.6	Confident	41 Å²	41	66.8 Å²	66.8	22%	0.215	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-42.1	170.7	-58.2	-175.8	0	0	0	111.1	K469 T508	K469-L511 HydrophobicContact CG-CD2 4.24Å; T508-L511 HydrophobicContact CG2-CD1 4Å; T508-L511 HydrophobicContact CG2-CG 4.09Å; T508-L511 PolarHBondContact O-N 2.86Å
512	W	89.7	Confident	81.5	Confident	9 Å²	9	61.3 Å²	61.3	3%	0.034	37%	0.37	C	S	.	.	S	Bend	trans	-87.9	149.4	-176	-65.6	78	0	0	0	112.1	A437 L440 L441 M473 D476 M477 L507 T514	A437-W512 HydrophobicContact CB-CE3 3.84Å; A437-W512 HydrophobicContact CB-CZ3 3.97Å; L440-W512 HydrophobicContact CB-CH2 4.09Å; L440-W512 HydrophobicContact CB-CZ3 4.39Å; L440-W512 HydrophobicContact CD1-CH2 3.83Å; L440-W512 HydrophobicContact CD1-CZ3 4.44Å; L441-W512 HydrophobicContact CD1-CE3 4.1Å; L441-W512 HydrophobicContact CD1-CZ3 3.87Å; L441-W512 HydrophobicContact CD2-CH2 4.15Å; L441-W512 HydrophobicContact CD2-CZ3 3.94Å; L441-W512 HydrophobicContact CG-CE3 4.41Å; L441-W512 HydrophobicContact CG-CH2 4.31Å; L441-W512 HydrophobicContact CG-CZ3 3.7Å; M473-W512 HydrophobicContact CB-CD2 4.46Å; M473-W512 HydrophobicContact CB-CH2 3.99Å; M473-W512 HydrophobicContact CB-CZ2 3.58Å; M473-W512 HydrophobicContact CE-CD2 4.2Å; M473-W512 HydrophobicContact CE-CE3 3.72Å; M473-W512 HydrophobicContact CE-CH2 4.08Å; M473-W512 HydrophobicContact CE-CZ3 3.65Å; M473-W512 HydrophobicContact CG-CD2 3.87Å; M473-W512 HydrophobicContact CG-CE3 4.34Å; M473-W512 HydrophobicContact CG-CG 4.26Å; M473-W512 HydrophobicContact CG-CH2 4.37Å; M473-W512 HydrophobicContact CG-CZ2 3.92Å; M473-W512 WeakPolarHBondContact O-CZ2 3.48Å; D476-W512 HydrophobicContact CB-CZ2 4.2Å; D476-W512 PolarHBondContact OD2-NE1 3.41Å; M477-W512 HydrophobicContact CE-CH2 3.56Å; M477-W512 HydrophobicContact CE-CZ2 3.46Å; M477-W512 VanDerWaalsContact CE-CZ2 3.46Å; M477-W512 HydrophobicContact CG-CH2 4.08Å; M477-W512 HydrophobicContact CG-CZ2 4.25Å; M477-W512 HydrophobicContact SD-CH2 4.05Å; M477-W512 HydrophobicContact SD-CZ2 4.42Å; L507-W512 HydrophobicContact CB-CD2 4.36Å; L507-W512 HydrophobicContact CB-CG 4.11Å; L507-W512 HydrophobicContact CD1-CD2 4.04Å; L507-W512 HydrophobicContact CD1-CE3 4.2Å; L507-W512 HydrophobicContact CD1-CG 4.32Å; L507-W512 HydrophobicContact CD2-CD2 4.33Å; L507-W512 HydrophobicContact CD2-CH2 4.31Å; L507-W512 HydrophobicContact CD2-CZ2 3.81Å; L507-W512 HydrophobicContact CG-CD2 4.48Å; W512-T514 HydrophobicContact CB-CG2 4.23Å; W512-T514 PolarHBondContact O-N 2.8Å
513	P	81.2	Confident	81.4	Confident	45 Å²	45	61.6 Å²	61.6	29%	0.292	37%	0.371	S	S	.	.	S	Bend	trans	-77.2	30.7	178.9	32.8	-34.1	0	0	0	112.9	K433 A437	K433-P513 HydrophobicContact CG-CG 4.44Å; A437-P513 HydrophobicContact CB-CG 3.53Å
514	T	69.7	Low	81.4	Confident	48 Å²	48	58.5 Å²	58.5	29%	0.294	35%	0.35	S	S	.	.			trans	-95.4	135.3	-174.2	50.6	0	0	0	0	110.6	W512 M553	W512-T514 HydrophobicContact CB-CG2 4.23Å; W512-T514 PolarHBondContact O-N 2.8Å; T514-M553 HydrophobicContact CG2-CE 3.5Å; T514-M553 HydrophobicContact CG2-SD 3.35Å; T514-M553 WeakPolarHBondContact CG2-SD 3.45Å
515	Q	63.9	Low	81.3	Confident	108 Å²	108	64.5 Å²	64.5	51%	0.505	38%	0.377	S	S	.	.			trans	-82	138.5	168.3	-64	-168.4	15.5	0	0	108.6	T517 Q550 E735	Q515-T517 PolarHBondContact O-N 3.03Å; Q515-Q550 PolarHBondContact O-OE1 2.92Å; Q515-Q550 VanDerWaalsContact O-OE1 3.13Å; Q515-E735 VanDerWaalsContact NE2-CD 3.32Å; Q515-E735 PolarHBondContact NE2-OE1 2.91Å
516	A	60.4	Low	81.2	Confident	84 Å²	84	65.5 Å²	65.5	69%	0.694	39%	0.385	S	S	*	.			trans	-69.6	96.9	171.7	0	0	0	0	0	109
517	T	63.8	Low	81.2	Confident	47 Å²	47	65.4 Å²	65.4	29%	0.288	39%	0.387	S	S	.	.			trans	-85.4	132.9	169.4	57.5	0	0	0	0	109.7	Q515 S519 Q550	Q515-T517 PolarHBondContact O-N 3.03Å; T517-S519 PolarHBondContact O-N 2.99Å; T517-S519 VanDerWaalsContact O-N 3.17Å; T517-Q550 PolarHBondContact O-NE2 3.14Å; T517-Q550 PolarHBondContact OG1-OE1 2.77Å; T517-Q550 VanDerWaalsContact OG1-OE1 3.13Å
518	N	63.9	Low	81.1	Confident	144 Å²	144	65.6 Å²	65.6	77%	0.77	39%	0.388	S	S	*	.			trans	-74.4	102	167	-74.2	-20.8	0	0	0	107.9	N520	N518-N520 PolarHBondContact O-N 3.25Å
519	S	66.5	Low	81.1	Confident	38 Å²	38	65.9 Å²	65.9	27%	0.266	39%	0.39	S	S	.	.			trans	-80.4	95.8	-179.9	21.2	0	0	0	0	109.9	T517 E521 L549	T517-S519 PolarHBondContact O-N 2.99Å; T517-S519 VanDerWaalsContact O-N 3.17Å; S519-E521 WeakPolarHBondContact CA-OE2 3.23Å; S519-E521 WeakPolarHBondContact CB-OE2 2.78Å; S519-L549 WeakPolarHBondContact CB-O 3.46Å; S519-L549 PolarHBondContact OG-O 2.96Å
520	N	77.4	Confident	81.3	Confident	125 Å²	125	59.4 Å²	59.4	67%	0.668	35%	0.351	S	S	*	.			trans	-101.4	16.3	172	-71	-11.2	0	0	0	111.6	N518 N668	N518-N520 PolarHBondContact O-N 3.25Å; N520-N668 VanDerWaalsContact O-CB 3.3Å; N520-N668 WeakPolarHBondContact O-CB 3.18Å; N520-N668 PolarHBondContact O-ND2 2.86Å
521	E	83.9	Confident	81.6	Confident	19 Å²	19	58.1 Å²	58.1	9%	0.089	33%	0.329	C	S	.	.			trans	-69.1	141.4	-178.1	-54.9	96	162	0	0	111.4	S519 L523 T551 Y644 I647 T667 I669	S519-E521 WeakPolarHBondContact CA-OE2 3.23Å; S519-E521 WeakPolarHBondContact CB-OE2 2.78Å; E521-L523 VanDerWaalsContact C-N 3.34Å; E521-L523 PolarHBondContact O-N 2.93Å; E521-T551 PolarHBondContact OE1-OG1 3.12Å; E521-T551 WeakPolarHBondContact OE2-CG2 3.43Å; E521-T551 PolarHBondContact OE2-OG1 3.47Å; E521-Y644 HydrophobicContact CG-CE1 3.8Å; E521-Y644 VanDerWaalsContact OE1-CE1 3.27Å; E521-Y644 WeakPolarHBondContact OE1-CE1 3.37Å; E521-Y644 PolarHBondContact OE1-OH 3.5Å; E521-I647 HydrophobicContact CB-CD1 3.94Å; E521-T667 WeakPolarHBondContact CA-O 3.42Å; E521-I669 HydrophobicContact CG-CG1 4.23Å
522	A	87.4	Confident	81.7	Confident	39 Å²	39	61.3 Å²	61.3	32%	0.322	34%	0.342	S	S	.	.			trans	-77.2	81.5	-178.4	0	0	0	0	0	111	T667	A522-T667 PolarHBondContact N-O 2.9Å
523	L	90	Very high	81.9	Confident	37 Å²	37	62.7 Å²	62.7	19%	0.194	35%	0.351	C	S	.	.			trans	-59.2	145	174.6	-73	169.5	0	0	0	111.4	E521 D528 L549 T551 T643 M646 I647	E521-L523 VanDerWaalsContact C-N 3.34Å; E521-L523 PolarHBondContact O-N 2.93Å; L523-D528 HydrophobicContact CB-CB 4.21Å; L523-L549 HydrophobicContact CD1-CD2 3.68Å; L523-T551 HydrophobicContact CD2-CG2 4.31Å; L523-T643 HydrophobicContact CD2-CG2 3.98Å; L523-M646 HydrophobicContact CD2-CE 4.32Å; L523-I647 HydrophobicContact CD2-CD1 4Å; L523-I647 HydrophobicContact CD2-CG1 4.29Å
524	P	90.5	Very high	82.5	Confident	18 Å²	18	60.5 Å²	60.5	12%	0.117	34%	0.337	C	S	.	.			trans	-54.1	144.8	168	-23.6	33.9	0	0	0	111.2	E526 A527 D528 M646 M650	P524-E526 VanDerWaalsContact C-N 3.26Å; P524-E526 PolarHBondContact O-N 3.17Å; P524-A527 HydrophobicContact CB-CB 4.44Å; P524-A527 PolarHBondContact O-N 3.38Å; P524-D528 PolarHBondContact O-N 3.2Å; P524-M646 HydrophobicContact CG-CE 4.12Å; P524-M646 HydrophobicContact CG-CG 4.5Å; P524-M650 HydrophobicContact CG-CB 4.18Å; P524-M650 HydrophobicContact CG-CG 3.89Å
525	E	89.4	Confident	83.5	Confident	143 Å²	143	61.9 Å²	61.9	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-57.7	-39.3	-172.8	-176.2	176.1	175.6	0	0	112.4	T529	E525-T529 VanDerWaalsContact O-CB 3.28Å; E525-T529 WeakPolarHBondContact O-CB 3.39Å; E525-T529 PolarHBondContact O-N 2.77Å; E525-T529 PolarHBondContact O-OG1 2.82Å
526	E	89.7	Confident	84.9	Confident	104 Å²	104	62 Å²	62	49%	0.486	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-43.8	178.3	-56.8	85.1	170.5	0	0	111.1	L500 P524 A530	L500-E526 HydrophobicContact CD2-CB 4.03Å; L500-E526 WeakPolarHBondContact CD2-O 3.31Å; P524-E526 VanDerWaalsContact C-N 3.26Å; P524-E526 PolarHBondContact O-N 3.17Å; E526-A530 WeakPolarHBondContact O-CB 3.27Å; E526-A530 PolarHBondContact O-N 3.21Å
527	A	91.3	Very high	86.5	Confident	23 Å²	23	59 Å²	59	19%	0.19	31%	0.314	C	S	.	.	H	α-helix	trans	-68.8	-42	179.2	0	0	0	0	0	112.1	P524 A530 F531	P524-A527 HydrophobicContact CB-CB 4.44Å; P524-A527 PolarHBondContact O-N 3.38Å; A527-A530 PolarHBondContact O-N 3.03Å; A527-F531 WeakPolarHBondContact O-CB 3.36Å; A527-F531 PolarHBondContact O-N 3.41Å
528	D	90.7	Very high	88	Confident	50 Å²	50	57.2 Å²	57.2	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-42.9	176.5	-178.3	54.5	0	0	0	111.4	L523 P524 F531 K532	L523-D528 HydrophobicContact CB-CB 4.21Å; P524-D528 PolarHBondContact O-N 3.2Å; D528-F531 PolarHBondContact O-N 3.44Å; D528-K532 WeakPolarHBondContact O-CG 3.26Å; D528-K532 PolarHBondContact O-N 2.84Å; D528-K532 WeakPolarHBondContact OD2-CE 3.32Å; D528-K532 IonicContact OD2-NZ 3.52Å; D528-K532 PolarHBondContact OD2-NZ 2.91Å
529	T	91.7	Very high	89.4	Confident	71 Å²	71	52.9 Å²	52.9	44%	0.436	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-47.2	175.9	-59.5	0	0	0	0	111.3	E525 F531 K532 V533	E525-T529 VanDerWaalsContact O-CB 3.28Å; E525-T529 WeakPolarHBondContact O-CB 3.39Å; E525-T529 PolarHBondContact O-N 2.77Å; E525-T529 PolarHBondContact O-OG1 2.82Å; T529-F531 VanDerWaalsContact C-N 3.33Å; T529-F531 PolarHBondContact O-N 3.44Å; T529-K532 PolarHBondContact O-N 3.32Å; T529-V533 WeakPolarHBondContact O-CG2 3.45Å; T529-V533 PolarHBondContact O-N 3.35Å
530	A	92.2	Very high	90.7	Very high	1 Å²	1	55 Å²	55	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-43	177.4	0	0	0	0	0	111.9	L498 L500 L502 E526 A527 V533 Y534	L498-A530 HydrophobicContact CB-CB 4.49Å; L498-A530 HydrophobicContact CD1-CB 4.27Å; L498-A530 HydrophobicContact CD2-CB 4.42Å; L500-A530 HydrophobicContact CD1-CB 3.82Å; L500-A530 HydrophobicContact CD2-CB 3.85Å; L500-A530 HydrophobicContact CG-CB 4.02Å; L502-A530 HydrophobicContact CD2-CB 4.15Å; E526-A530 WeakPolarHBondContact O-CB 3.27Å; E526-A530 PolarHBondContact O-N 3.21Å; A527-A530 PolarHBondContact O-N 3.03Å; A530-V533 PolarHBondContact O-N 3.38Å; A530-Y534 PolarHBondContact O-N 3.29Å
531	F	91.5	Very high	91.4	Very high	26 Å²	26	53.8 Å²	53.8	11%	0.114	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-38.9	176.3	-179.9	-111.1	0	0	0	112.6	A527 D528 T529 V533 Y534 K535 I547 L549	A527-F531 WeakPolarHBondContact O-CB 3.36Å; A527-F531 PolarHBondContact O-N 3.41Å; D528-F531 PolarHBondContact O-N 3.44Å; T529-F531 VanDerWaalsContact C-N 3.33Å; T529-F531 PolarHBondContact O-N 3.44Å; F531-V533 VanDerWaalsContact C-N 3.33Å; F531-V533 PolarHBondContact O-N 3.27Å; F531-Y534 PolarHBondContact O-N 2.93Å; F531-K535 HydrophobicContact CE1-CD 4.37Å; F531-K535 VanDerWaalsContact O-CB 3.29Å; F531-K535 WeakPolarHBondContact O-CB 3.26Å; F531-K535 PolarHBondContact O-N 3.39Å; F531-I547 HydrophobicContact CE2-CD1 4.38Å; F531-I547 HydrophobicContact CZ-CD1 4.08Å; F531-I547 HydrophobicContact CZ-CG1 4.47Å; F531-L549 HydrophobicContact CD1-CD2 4.01Å; F531-L549 HydrophobicContact CD2-CD1 4.09Å; F531-L549 HydrophobicContact CD2-CD2 4.24Å; F531-L549 HydrophobicContact CE1-CB 3.89Å; F531-L549 HydrophobicContact CE1-CD2 4.19Å; F531-L549 HydrophobicContact CE2-CB 4.24Å; F531-L549 HydrophobicContact CE2-CD1 3.83Å; F531-L549 HydrophobicContact CE2-CD2 4.43Å; F531-L549 HydrophobicContact CE2-CG 4.39Å; F531-L549 HydrophobicContact CG-CD2 4.03Å; F531-L549 HydrophobicContact CZ-CB 3.73Å; F531-L549 HydrophobicContact CZ-CD1 4.21Å; F531-L549 HydrophobicContact CZ-CD2 4.41Å; F531-L549 HydrophobicContact CZ-CG 4.34Å
532	K	91.2	Very high	91.9	Very high	109 Å²	109	55.2 Å²	55.2	47%	0.474	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-41.5	174.4	-77	167.2	175.9	164.2	0	112	D528 T529 K535 N536	D528-K532 WeakPolarHBondContact O-CG 3.26Å; D528-K532 PolarHBondContact O-N 2.84Å; D528-K532 WeakPolarHBondContact OD2-CE 3.32Å; D528-K532 IonicContact OD2-NZ 3.52Å; D528-K532 PolarHBondContact OD2-NZ 2.91Å; T529-K532 PolarHBondContact O-N 3.32Å; K532-K535 PolarHBondContact O-N 3.03Å; K532-N536 VanDerWaalsContact O-CG 3.3Å; K532-N536 PolarHBondContact O-N 2.81Å; K532-N536 PolarHBondContact O-ND2 3.4Å
533	V	93	Very high	92	Very high	37 Å²	37	60.1 Å²	60.1	22%	0.224	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-47.4	175.5	176.1	0	0	0	0	110.7	F487 L491 L498 T529 A530 F531 K535 N536 F537	F487-V533 HydrophobicContact CE2-CG1 4.12Å; F487-V533 HydrophobicContact CZ-CG1 4.11Å; L491-V533 HydrophobicContact CD2-CG1 4.47Å; L498-V533 HydrophobicContact CD2-CB 4.09Å; L498-V533 HydrophobicContact CD2-CG1 4.16Å; L498-V533 HydrophobicContact CD2-CG2 4.03Å; T529-V533 WeakPolarHBondContact O-CG2 3.45Å; T529-V533 PolarHBondContact O-N 3.35Å; A530-V533 PolarHBondContact O-N 3.38Å; F531-V533 VanDerWaalsContact C-N 3.33Å; F531-V533 PolarHBondContact O-N 3.27Å; V533-K535 PolarHBondContact O-N 2.67Å; V533-N536 PolarHBondContact O-N 3.36Å; V533-F537 PolarHBondContact O-N 3.44Å; V533-F537 VanDerWaalsContact O-N 3.13Å
534	Y	93.7	Very high	92	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-43.3	175.5	-178.6	-90.1	0	0	0	112.4	M484 F487 V504 V506 A530 F531 N536 F537 Y538	M484-Y534 HydrophobicContact SD-CE2 4.33Å; F487-Y534 HydrophobicContact CB-CD2 4.4Å; F487-Y534 HydrophobicContact CB-CE2 4.32Å; F487-Y534 AromaticContact CD1-CD2 3.94Å; F487-Y534 HydrophobicContact CD1-CD2 3.94Å; F487-Y534 AromaticContact CD2-CD2 3.9Å; F487-Y534 HydrophobicContact CD2-CD2 3.9Å; F487-Y534 HydrophobicContact CE1-CD2 4.03Å; F487-Y534 HydrophobicContact CE2-CD2 4.06Å; F487-Y534 AromaticContact CG-CD2 3.81Å; F487-Y534 HydrophobicContact CG-CD2 3.81Å; F487-Y534 HydrophobicContact CG-CE2 4.23Å; F487-Y534 HydrophobicContact CZ-CD2 4.09Å; V504-Y534 HydrophobicContact CB-CD1 3.98Å; V504-Y534 HydrophobicContact CB-CD2 4.19Å; V504-Y534 HydrophobicContact CB-CE1 3.7Å; V504-Y534 HydrophobicContact CB-CE2 3.91Å; V504-Y534 HydrophobicContact CB-CG 4.22Å; V504-Y534 HydrophobicContact CG1-CD1 3.85Å; V504-Y534 HydrophobicContact CG1-CE1 3.43Å; V504-Y534 VanDerWaalsContact CG1-CE1 3.43Å; V504-Y534 HydrophobicContact CG2-CD1 3.81Å; V504-Y534 HydrophobicContact CG2-CD2 3.94Å; V504-Y534 HydrophobicContact CG2-CE1 4.08Å; V504-Y534 HydrophobicContact CG2-CE2 4.18Å; V504-Y534 HydrophobicContact CG2-CG 3.74Å; V506-Y534 HydrophobicContact CG2-CE1 4.08Å; V506-Y534 WeakPolarHBondContact CG2-OH 3.37Å; A530-Y534 PolarHBondContact O-N 3.29Å; F531-Y534 PolarHBondContact O-N 2.93Å; Y534-N536 VanDerWaalsContact C-N 3.31Å; Y534-N536 PolarHBondContact O-N 3.08Å; Y534-F537 HydrophobicContact CD2-CD1 4.43Å; Y534-F537 HydrophobicContact CE2-CD1 4.3Å; Y534-F537 WeakPolarHBondContact O-CB 3.43Å; Y534-F537 PolarHBondContact O-N 3.04Å; Y534-F537 VanDerWaalsContact O-N 3.16Å; Y534-Y538 PolarHBondContact O-N 3.08Å
535	K	92.7	Very high	92	Very high	77 Å²	77	68.4 Å²	68.4	34%	0.335	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-44.6	178.5	175.9	169.3	-179.4	-179	0	111.6	F531 K532 V533 Y538 L539 I547	F531-K535 HydrophobicContact CE1-CD 4.37Å; F531-K535 VanDerWaalsContact O-CB 3.29Å; F531-K535 WeakPolarHBondContact O-CB 3.26Å; F531-K535 PolarHBondContact O-N 3.39Å; K532-K535 PolarHBondContact O-N 3.03Å; V533-K535 PolarHBondContact O-N 2.67Å; K535-Y538 PolarHBondContact O-N 2.77Å; K535-L539 HydrophobicContact CG-CD1 3.84Å; K535-L539 HydrophobicContact CG-CG 4.37Å; K535-L539 WeakPolarHBondContact O-CB 3.15Å; K535-L539 VanDerWaalsContact O-CG 3.26Å; K535-L539 WeakPolarHBondContact O-CG 3.35Å; K535-L539 PolarHBondContact O-N 3.37Å; K535-I547 HydrophobicContact CB-CD1 3.81Å; K535-I547 HydrophobicContact CD-CD1 4.32Å; K535-I547 HydrophobicContact CD-CG1 4.2Å; K535-I547 HydrophobicContact CG-CD1 3.69Å; K535-I547 HydrophobicContact CG-CG1 3.95Å
536	N	92.5	Very high	92	Very high	111 Å²	111	69.9 Å²	69.9	59%	0.594	37%	0.369	S	S	*	.	H	α-helix	trans	-65.5	-39.9	177.7	-68.7	-17.1	0	0	0	111.9	K532 V533 Y534 S540	K532-N536 VanDerWaalsContact O-CG 3.3Å; K532-N536 PolarHBondContact O-N 2.81Å; K532-N536 PolarHBondContact O-ND2 3.4Å; V533-N536 PolarHBondContact O-N 3.36Å; Y534-N536 VanDerWaalsContact C-N 3.31Å; Y534-N536 PolarHBondContact O-N 3.08Å; N536-S540 WeakPolarHBondContact O-CB 3.34Å; N536-S540 PolarHBondContact O-N 3.34Å; N536-S540 PolarHBondContact O-OG 3.49Å
537	F	93.7	Very high	92	Very high	20 Å²	20	66 Å²	66	9%	0.088	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-45.8	172.1	162.8	-94.8	0	0	0	112.2	E486 F487 V490 V533 Y534 S540 K541	E486-F537 HydrophobicContact CB-CZ 4.01Å; F487-F537 HydrophobicContact CB-CD1 4.05Å; F487-F537 HydrophobicContact CB-CE1 3.73Å; F487-F537 HydrophobicContact CB-CE2 4.42Å; F487-F537 HydrophobicContact CB-CZ 3.93Å; F487-F537 HydrophobicContact CD2-CB 3.77Å; F487-F537 AromaticContact CD2-CD1 3.6Å; F487-F537 HydrophobicContact CD2-CD1 3.6Å; F487-F537 HydrophobicContact CD2-CD2 4.02Å; F487-F537 HydrophobicContact CD2-CE1 4.17Å; F487-F537 AromaticContact CD2-CG 3.52Å; F487-F537 HydrophobicContact CD2-CG 3.52Å; F487-F537 HydrophobicContact CE2-CB 3.95Å; F487-F537 HydrophobicContact CE2-CD1 4.49Å; F487-F537 HydrophobicContact CE2-CG 4.23Å; F487-F537 HydrophobicContact CG-CD1 4.22Å; F487-F537 HydrophobicContact CG-CE1 4.4Å; F487-F537 HydrophobicContact CG-CG 4.48Å; V490-F537 HydrophobicContact CG2-CD2 4.46Å; V490-F537 HydrophobicContact CG2-CE2 4.09Å; V533-F537 PolarHBondContact O-N 3.44Å; V533-F537 VanDerWaalsContact O-N 3.13Å; Y534-F537 HydrophobicContact CD2-CD1 4.43Å; Y534-F537 HydrophobicContact CE2-CD1 4.3Å; Y534-F537 WeakPolarHBondContact O-CB 3.43Å; Y534-F537 PolarHBondContact O-N 3.04Å; Y534-F537 VanDerWaalsContact O-N 3.16Å; F537-S540 PolarHBondContact O-N 2.95Å; F537-S540 PolarHBondContact O-OG 3.11Å; F537-K541 HydrophobicContact CE2-CD 4.12Å; F537-K541 HydrophobicContact CZ-CD 3.99Å; F537-K541 PolarHBondContact O-N 2.93Å
538	Y	94.9	Very high	91.7	Very high	10 Å²	10	69.3 Å²	69.3	4%	0.039	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-45.4	-179.6	-177.1	-89	0	0	0	111.4	L483 V506 Y534 K535 S540 K541 H542 R545 I547	L483-Y538 HydrophobicContact CD1-CD2 4.16Å; L483-Y538 HydrophobicContact CD1-CE2 3.81Å; V506-Y538 HydrophobicContact CB-CE2 4.19Å; V506-Y538 HydrophobicContact CG1-CE2 3.76Å; V506-Y538 HydrophobicContact CG2-CD2 3.98Å; V506-Y538 HydrophobicContact CG2-CE2 3.85Å; Y534-Y538 PolarHBondContact O-N 3.08Å; K535-Y538 PolarHBondContact O-N 2.77Å; Y538-S540 VanDerWaalsContact C-N 3.35Å; Y538-S540 PolarHBondContact O-N 2.89Å; Y538-K541 PolarHBondContact O-N 2.86Å; Y538-H542 HydrophobicContact CD1-CB 4.34Å; Y538-H542 AromaticContact CD2-CD2 3.75Å; Y538-H542 HydrophobicContact CE1-CB 3.86Å; Y538-H542 AromaticContact CE1-CD2 3.98Å; Y538-H542 AromaticContact CE2-CD2 3.37Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.23Å; Y538-H542 AromaticContact CE2-NE2 3.92Å; Y538-H542 AromaticContact CZ-CD2 3.49Å; Y538-H542 VanDerWaalsContact CZ-CD2 3.49Å; Y538-H542 AromaticContact CZ-CG 3.94Å; Y538-H542 WeakPolarHBondContact O-CB 3.22Å; Y538-H542 PolarHBondContact O-N 2.9Å; Y538-R545 HydrophobicContact CE1-CB 4.29Å; Y538-R545 PolarHBondContact OH-NH1 3.3Å; Y538-I547 HydrophobicContact CD1-CD1 4.4Å; Y538-I547 HydrophobicContact CD1-CG2 3.44Å; Y538-I547 VanDerWaalsContact CD1-CG2 3.44Å; Y538-I547 HydrophobicContact CE1-CG2 3.37Å; Y538-I547 HydrophobicContact CG-CG2 4.28Å
539	L	94.2	Very high	91.6	Very high	52 Å²	52	69.5 Å²	69.5	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-69.8	-29.4	-177.7	-68.3	176.2	0	0	0	112.9	K535 K541 H542 N543 R545	K535-L539 HydrophobicContact CG-CD1 3.84Å; K535-L539 HydrophobicContact CG-CG 4.37Å; K535-L539 WeakPolarHBondContact O-CB 3.15Å; K535-L539 VanDerWaalsContact O-CG 3.26Å; K535-L539 WeakPolarHBondContact O-CG 3.35Å; K535-L539 PolarHBondContact O-N 3.37Å; L539-K541 VanDerWaalsContact C-N 3.29Å; L539-K541 PolarHBondContact O-N 2.79Å; L539-H542 CarbonylContact O-C 3.19Å; L539-H542 PolarHBondContact O-N 2.86Å; L539-N543 PolarHBondContact O-OD1 3.48Å; L539-R545 WeakPolarHBondContact CD2-O 3.33Å
540	S	93.2	Very high	91.3	Very high	83 Å²	83	68 Å²	68	58%	0.58	35%	0.354	S	S	*	.	H	α-helix	trans	-69.3	-28.2	174.8	71	0	0	0	0	112.8	N536 F537 Y538	N536-S540 WeakPolarHBondContact O-CB 3.34Å; N536-S540 PolarHBondContact O-N 3.34Å; N536-S540 PolarHBondContact O-OG 3.49Å; F537-S540 PolarHBondContact O-N 2.95Å; F537-S540 PolarHBondContact O-OG 3.11Å; Y538-S540 VanDerWaalsContact C-N 3.35Å; Y538-S540 PolarHBondContact O-N 2.89Å
541	K	92.6	Very high	91	Very high	100 Å²	100	68.1 Å²	68.1	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-87.5	-30.3	174.3	-67.9	-163.7	173.8	-159.1	0	113.5	E486 F537 Y538 L539	E486-K541 IonicContact OE2-NZ 3.69Å; E486-K541 PolarHBondContact OE2-NZ 3.36Å; F537-K541 HydrophobicContact CE2-CD 4.12Å; F537-K541 HydrophobicContact CZ-CD 3.99Å; F537-K541 PolarHBondContact O-N 2.93Å; Y538-K541 PolarHBondContact O-N 2.86Å; L539-K541 VanDerWaalsContact C-N 3.29Å; L539-K541 PolarHBondContact O-N 2.79Å
542	H	92.9	Very high	90.4	Very high	48 Å²	48	70.4 Å²	70.4	22%	0.222	37%	0.368	C	S	.	.	S	Bend	trans	-122.3	74.1	-173.9	-63	-66.5	0	0	0	112	Y538 L539 R545	Y538-H542 HydrophobicContact CD1-CB 4.34Å; Y538-H542 AromaticContact CD2-CD2 3.75Å; Y538-H542 HydrophobicContact CE1-CB 3.86Å; Y538-H542 AromaticContact CE1-CD2 3.98Å; Y538-H542 AromaticContact CE2-CD2 3.37Å; Y538-H542 WeakPolarHBondContact CE2-CD2 3.23Å; Y538-H542 AromaticContact CE2-NE2 3.92Å; Y538-H542 AromaticContact CZ-CD2 3.49Å; Y538-H542 VanDerWaalsContact CZ-CD2 3.49Å; Y538-H542 AromaticContact CZ-CG 3.94Å; Y538-H542 WeakPolarHBondContact O-CB 3.22Å; Y538-H542 PolarHBondContact O-N 2.9Å; L539-H542 CarbonylContact O-C 3.19Å; L539-H542 PolarHBondContact O-N 2.86Å; H542-R545 HydrophobicContact CB-CB 4.46Å; H542-R545 HydrophobicContact CB-CG 4.15Å; H542-R545 PolarHBondContact O-N 3.43Å
543	N	89.9	Confident	89.9	Confident	142 Å²	142	68.6 Å²	68.6	76%	0.759	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	140.7	177.1	-70	-26.1	0	0	0	112.1	L539 R545	L539-N543 PolarHBondContact O-OD1 3.48Å; N543-R545 VanDerWaalsContact C-N 3.28Å; N543-R545 PolarHBondContact O-N 3.47Å
544	G	89.7	Confident	89.5	Confident	91 Å²	91	68.3 Å²	68.3	94%	0.938	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	1.7	178.7	0	0	0	0	0	115.3
545	R	91.6	Very high	89.3	Confident	138 Å²	138	74 Å²	74	52%	0.521	39%	0.389	S	S	.	.			trans	-93.9	153.9	175.3	-60.2	-161.5	-176.7	-176.6	-3.5	112.1	Y538 L539 H542 N543	Y538-R545 HydrophobicContact CE1-CB 4.29Å; Y538-R545 PolarHBondContact OH-NH1 3.3Å; L539-R545 WeakPolarHBondContact CD2-O 3.33Å; H542-R545 HydrophobicContact CB-CB 4.46Å; H542-R545 HydrophobicContact CB-CG 4.15Å; H542-R545 PolarHBondContact O-N 3.43Å; N543-R545 VanDerWaalsContact C-N 3.28Å; N543-R545 PolarHBondContact O-N 3.47Å
546	K	88.9	Confident	89.3	Confident	175 Å²	175	71.2 Å²	71.2	76%	0.761	38%	0.38	S	S	*	.			trans	-116.9	134.9	168.6	-175.6	177.5	178.8	-179.7	0	108.8	N548	K546-N548 WeakPolarHBondContact CE-OD1 3.5Å
547	I	89.4	Confident	89.3	Confident	21 Å²	21	70.7 Å²	70.7	11%	0.108	37%	0.374	C	S	.	.			trans	-113.6	136.5	172.2	67.7	173	0	0	0	110.2	F531 K535 Y538	F531-I547 HydrophobicContact CE2-CD1 4.38Å; F531-I547 HydrophobicContact CZ-CD1 4.08Å; F531-I547 HydrophobicContact CZ-CG1 4.47Å; K535-I547 HydrophobicContact CB-CD1 3.81Å; K535-I547 HydrophobicContact CD-CD1 4.32Å; K535-I547 HydrophobicContact CD-CG1 4.2Å; K535-I547 HydrophobicContact CG-CD1 3.69Å; K535-I547 HydrophobicContact CG-CG1 3.95Å; Y538-I547 HydrophobicContact CD1-CD1 4.4Å; Y538-I547 HydrophobicContact CD1-CG2 3.44Å; Y538-I547 VanDerWaalsContact CD1-CG2 3.44Å; Y538-I547 HydrophobicContact CE1-CG2 3.37Å; Y538-I547 HydrophobicContact CG-CG2 4.28Å
548	N	86	Confident	89.4	Confident	93 Å²	93	71.1 Å²	71.1	50%	0.497	38%	0.378	S	S	.	.			trans	-122.2	130.8	174.9	-66.2	-30.9	0	0	0	108.5	K546	K546-N548 WeakPolarHBondContact CE-OD1 3.5Å
549	L	87.8	Confident	89.3	Confident	54 Å²	54	74.8 Å²	74.8	28%	0.283	41%	0.405	S	S	.	.			trans	-80.4	126.1	-178.2	-176.2	60.3	0	0	0	110.6	S519 L523 F531 T551	S519-L549 WeakPolarHBondContact CB-O 3.46Å; S519-L549 PolarHBondContact OG-O 2.96Å; L523-L549 HydrophobicContact CD1-CD2 3.68Å; F531-L549 HydrophobicContact CD1-CD2 4.01Å; F531-L549 HydrophobicContact CD2-CD1 4.09Å; F531-L549 HydrophobicContact CD2-CD2 4.24Å; F531-L549 HydrophobicContact CE1-CB 3.89Å; F531-L549 HydrophobicContact CE1-CD2 4.19Å; F531-L549 HydrophobicContact CE2-CB 4.24Å; F531-L549 HydrophobicContact CE2-CD1 3.83Å; F531-L549 HydrophobicContact CE2-CD2 4.43Å; F531-L549 HydrophobicContact CE2-CG 4.39Å; F531-L549 HydrophobicContact CG-CD2 4.03Å; F531-L549 HydrophobicContact CZ-CB 3.73Å; F531-L549 HydrophobicContact CZ-CD1 4.21Å; F531-L549 HydrophobicContact CZ-CD2 4.41Å; F531-L549 HydrophobicContact CZ-CG 4.34Å; L549-T551 HydrophobicContact CD2-CG2 4.26Å; L549-T551 HydrophobicContact CG-CG2 4.27Å; L549-T551 PolarHBondContact O-N 3.14Å
550	Q	86.2	Confident	89.3	Confident	41 Å²	41	73 Å²	73	19%	0.192	40%	0.398	C	S	.	.			trans	-96.1	87	176.5	-67.3	-65.2	-61.5	0	0	110	Q515 T517 N552 M553	Q515-Q550 PolarHBondContact O-OE1 2.92Å; Q515-Q550 VanDerWaalsContact O-OE1 3.13Å; T517-Q550 PolarHBondContact O-NE2 3.14Å; T517-Q550 PolarHBondContact OG1-OE1 2.77Å; T517-Q550 VanDerWaalsContact OG1-OE1 3.13Å; Q550-N552 VanDerWaalsContact C-N 3.32Å; Q550-N552 PolarHBondContact O-N 2.88Å; Q550-M553 HydrophobicContact CB-CG 4.21Å; Q550-M553 HydrophobicContact CB-SD 4.23Å; Q550-M553 PolarHBondContact O-N 2.74Å
551	T	85.6	Confident	89.3	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.018	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-60.8	-38.5	-173.9	46.4	0	0	0	0	112.3	E521 L523 L549 M553 G554 T643	E521-T551 PolarHBondContact OE1-OG1 3.12Å; E521-T551 WeakPolarHBondContact OE2-CG2 3.43Å; E521-T551 PolarHBondContact OE2-OG1 3.47Å; L523-T551 HydrophobicContact CD2-CG2 4.31Å; L549-T551 HydrophobicContact CD2-CG2 4.26Å; L549-T551 HydrophobicContact CG-CG2 4.27Å; L549-T551 PolarHBondContact O-N 3.14Å; T551-M553 PolarHBondContact O-N 3.41Å; T551-M553 VanDerWaalsContact O-N 3.14Å; T551-G554 PolarHBondContact O-N 2.89Å; T551-T643 HydrophobicContact CG2-CG2 4.42Å; T551-T643 WeakPolarHBondContact O-CB 3.31Å; T551-T643 PolarHBondContact O-OG1 3.22Å
552	N	79.5	Confident	89.2	Confident	74 Å²	74	67.2 Å²	67.2	40%	0.396	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-59.3	-20.3	176.7	64.5	-27.5	0	0	0	115.4	Q550 Y644	Q550-N552 VanDerWaalsContact C-N 3.32Å; Q550-N552 PolarHBondContact O-N 2.88Å; N552-Y644 HydrophobicContact CB-CE2 3.77Å
553	M	80.5	Confident	88.8	Confident	71 Å²	71	71.5 Å²	71.5	35%	0.35	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-100.2	-7.2	-177.4	-55.8	-171.2	86.1	0	0	114	L441 T514 Q550 T551	L441-M553 HydrophobicContact CD1-CE 3.13Å; L441-M553 HydrophobicContact CD1-SD 4.32Å; T514-M553 HydrophobicContact CG2-CE 3.5Å; T514-M553 HydrophobicContact CG2-SD 3.35Å; T514-M553 WeakPolarHBondContact CG2-SD 3.45Å; Q550-M553 HydrophobicContact CB-CG 4.21Å; Q550-M553 HydrophobicContact CB-SD 4.23Å; Q550-M553 PolarHBondContact O-N 2.74Å; T551-M553 PolarHBondContact O-N 3.41Å; T551-M553 VanDerWaalsContact O-N 3.14Å
554	G	84.9	Confident	88.1	Confident	30 Å²	30	65 Å²	65	31%	0.309	35%	0.349	S	S	.	.			trans	-86.7	167.9	-178.4	0	0	0	0	0	113.8	T551 T643	T551-G554 PolarHBondContact O-N 2.89Å; G554-T643 WeakPolarHBondContact CA-OG1 3.37Å; G554-T643 PolarHBondContact O-N 3.4Å; G554-T643 PolarHBondContact O-OG1 2.7Å
555	Y	88.8	Confident	86.9	Confident	120 Å²	120	70 Å²	70	47%	0.471	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.7	170.2	69.4	-85.5	0	0	0	109.5	Q640 V641	Y555-Q640 HydrophobicContact CD2-CG 4.26Å; Y555-V641 CarbonylContact C-O 3.38Å; Y555-V641 WeakPolarHBondContact CA-O 3.37Å; Y555-V641 VanDerWaalsContact CB-O 3.29Å; Y555-V641 WeakPolarHBondContact CB-O 3.44Å
556	A	91.8	Very high	85	Confident	19 Å²	19	68.6 Å²	68.6	16%	0.157	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.9	176.7	0	0	0	0	0	110.5	L558 Q640 V641 M646	A556-L558 HydrophobicContact CB-CD2 4.35Å; A556-Q640 WeakPolarHBondContact O-CA 3.43Å; A556-V641 HydrophobicContact CB-CG2 4.43Å; A556-V641 PolarHBondContact N-O 3.3Å; A556-V641 PolarHBondContact O-N 3.32Å; A556-M646 HydrophobicContact CB-CB 4.09Å; A556-M646 HydrophobicContact CB-CG 4.2Å; A556-M646 HydrophobicContact CB-SD 3.46Å; A556-M646 WeakPolarHBondContact CB-SD 3.36Å
557	E	93.5	Very high	82.9	Confident	99 Å²	99	66.5 Å²	66.5	46%	0.463	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.2	165.3	-67.2	-163.7	172	0	0	108.8	L639 Q640 K718	E557-L639 CarbonylContact C-O 3.43Å; E557-L639 WeakPolarHBondContact CA-O 3.28Å; E557-Q640 HydrophobicContact CG-CB 4.37Å; E557-Q640 HydrophobicContact CG-CG 4.32Å; E557-K718 IonicContact OE2-NZ 3.01Å
558	L	94.5	Very high	80.3	Confident	30 Å²	30	69.3 Å²	69.3	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.3	-178.2	-55.3	178.6	0	0	0	110.8	A556 A560 F638 L639 V641 M646 L649	A556-L558 HydrophobicContact CB-CD2 4.35Å; L558-A560 PolarHBondContact O-N 3.01Å; L558-F638 CarbonylContact O-C 3.47Å; L558-F638 VanDerWaalsContact O-CA 3.28Å; L558-F638 WeakPolarHBondContact O-CA 3.45Å; L558-L639 HydrophobicContact CB-CB 4.38Å; L558-L639 PolarHBondContact N-O 3.38Å; L558-L639 PolarHBondContact O-N 2.89Å; L558-V641 HydrophobicContact CD1-CG2 3.77Å; L558-V641 HydrophobicContact CG-CG2 4.01Å; L558-M646 HydrophobicContact CD1-CB 4.23Å; L558-M646 HydrophobicContact CD1-CG 4.24Å; L558-M646 HydrophobicContact CD2-CG 3.89Å; L558-M646 HydrophobicContact CD2-SD 4.3Å; L558-L649 HydrophobicContact CD1-CB 4.24Å; L558-L649 HydrophobicContact CD1-CD1 4.03Å
559	S	94.6	Very high	77.8	Confident	87 Å²	87	71.6 Å²	71.6	61%	0.608	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	111.5	166.3	-173.4	0	0	0	0	108.9
560	A	94.1	Very high	75.3	Confident	15 Å²	15	76.2 Å²	76.2	12%	0.124	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.6	-177.8	0	0	0	0	0	111	L558 F562 K636 Y637 L639	L558-A560 PolarHBondContact O-N 3.01Å; A560-F562 HydrophobicContact CB-CD2 4.46Å; A560-F562 HydrophobicContact CB-CE2 3.71Å; A560-F562 HydrophobicContact CB-CZ 4.31Å; A560-K636 WeakPolarHBondContact O-CA 3.26Å; A560-Y637 PolarHBondContact N-O 2.83Å; A560-Y637 PolarHBondContact O-N 3.1Å; A560-L639 HydrophobicContact CB-CD1 3.6Å; A560-L639 HydrophobicContact CB-CD2 4.47Å; A560-L639 HydrophobicContact CB-CG 3.75Å
561	V	92.3	Very high	72.6	Confident	55 Å²	55	81.7 Å²	81.7	33%	0.333	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.2	177.5	-173.8	0	0	0	0	108.6	Y563 V634 R635 K636	V561-Y563 HydrophobicContact CG1-CE1 4.1Å; V561-Y563 HydrophobicContact CG1-CE2 4.35Å; V561-V634 HydrophobicContact CG1-CG1 3.38Å; V561-R635 WeakPolarHBondContact CA-O 3.34Å; V561-K636 HydrophobicContact CG2-CG 4.27Å
562	F	90.2	Very high	70	Confident	5 Å²	5	86.5 Å²	86.5	2%	0.022	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.6	177.4	-63.2	-95.7	0	0	0	109.4	A560 V634 R635 Y637 I690 V708 N709 F712	A560-F562 HydrophobicContact CB-CD2 4.46Å; A560-F562 HydrophobicContact CB-CE2 3.71Å; A560-F562 HydrophobicContact CB-CZ 4.31Å; F562-V634 WeakPolarHBondContact O-CA 3.42Å; F562-R635 PolarHBondContact N-O 3.34Å; F562-R635 PolarHBondContact O-N 3.37Å; F562-Y637 AromaticContact CD2-CD2 3.74Å; F562-Y637 HydrophobicContact CD2-CD2 3.74Å; F562-Y637 HydrophobicContact CD2-CE2 4.29Å; F562-Y637 AromaticContact CE2-CD2 3.84Å; F562-Y637 HydrophobicContact CE2-CD2 3.84Å; F562-I690 HydrophobicContact CE1-CG2 4.38Å; F562-I690 HydrophobicContact CZ-CD1 4.25Å; F562-I690 HydrophobicContact CZ-CG2 4.08Å; F562-V708 HydrophobicContact CD1-CG1 4.13Å; F562-V708 HydrophobicContact CE1-CG1 3.99Å; F562-N709 WeakPolarHBondContact CD1-O 3.5Å; F562-F712 HydrophobicContact CD1-CB 4.03Å; F562-F712 HydrophobicContact CD2-CD1 4.33Å; F562-F712 HydrophobicContact CE1-CB 3.91Å; F562-F712 HydrophobicContact CE1-CD1 4.32Å; F562-F712 HydrophobicContact CE1-CG 4.35Å; F562-F712 AromaticContact CE2-CD1 3.9Å; F562-F712 HydrophobicContact CE2-CD1 3.9Å; F562-F712 HydrophobicContact CZ-CB 4.34Å; F562-F712 AromaticContact CZ-CD1 3.89Å; F562-F712 HydrophobicContact CZ-CD1 3.89Å; F562-F712 HydrophobicContact CZ-CG 4.3Å
563	Y	84.6	Confident	67.5	Low	138 Å²	138	88.4 Å²	88.4	54%	0.541	48%	0.484	S	S	.	.			trans	-95	-2.7	-171.8	-63.6	-82.2	0	0	0	113.7	V561 P632 V634	V561-Y563 HydrophobicContact CG1-CE1 4.1Å; V561-Y563 HydrophobicContact CG1-CE2 4.35Å; Y563-P632 VanDerWaalsContact O-CB 3.28Å; Y563-P632 WeakPolarHBondContact O-CB 3.48Å; Y563-V634 HydrophobicContact CD1-CG2 3.95Å; Y563-V634 HydrophobicContact CE1-CG2 4.39Å
564	G	74.5	Confident	64.9	Low	7 Å²	7	94.5 Å²	94.5	7%	0.072	51%	0.511	C	S	.	.			trans	70	177.6	-174.2	0	0	0	0	0	111.9	D710	G564-D710 VanDerWaalsContact CA-O 3.26Å; G564-D710 WeakPolarHBondContact CA-O 3.42Å; G564-D710 PolarHBondContact N-O 3.29Å
565	R	64.9	Low	62.3	Low	195 Å²	195	100.5 Å²	100.5	74%	0.736	53%	0.534	S	S	*	.			trans	-70.1	136.6	173.9	-67.8	-173.3	-175.5	-171.9	-1.8	109.8	S711	R565-S711 PolarHBondContact NE-OG 3.01Å
566	P	53.3	Low	59.4	Low	109 Å²	109	98.6 Å²	98.6	71%	0.708	54%	0.539	S	S	*	.			trans	-56.3	138.5	164.4	-18.1	29.8	0	0	0	109.3	A568	P566-A568 PolarHBondContact O-N 3.41Å
567	N	44.2	Very low	56.2	Low	130 Å²	130	103 Å²	103	70%	0.695	57%	0.568	S	S	*	*	S	Bend	trans	-66.3	20.7	-178.7	-90.9	-9.2	0	0	0	115
568	A	34.5	Very low	53	Low	80 Å²	80	104 Å²	104	66%	0.661	58%	0.581	S	S	*	*			trans	-113	75.4	179.1	0	0	0	0	0	109.7	P566	P566-A568 PolarHBondContact O-N 3.41Å
569	D	33.7	Very low	49.7	Very low	142 Å²	142	108 Å²	108	76%	0.759	61%	0.606	S	S	*	*			trans	-177.7	70.4	154.4	-87.6	-24.1	0	0	0	108
570	I	34.3	Very low	46.5	Very low	151 Å²	151	111 Å²	111	77%	0.774	62%	0.616	S	S	*	*			trans	-90.6	-1.9	168.9	-73.7	176.1	0	0	0	111.5
571	N	30	Very low	43.2	Very low	155 Å²	155	113.9 Å²	113.9	83%	0.829	64%	0.635	S	S	*	*			trans	-116.1	74.3	174.6	-75.4	-17.8	0	0	0	111.5
572	T	30.6	Very low	40	Very low	105 Å²	105	118.8 Å²	118.8	64%	0.644	65%	0.654	S	S	*	*	S	Bend	trans	-144.7	128	154.5	-26.7	0	0	0	0	107.2	Q574	T572-Q574 PolarHBondContact O-N 3.28Å
573	P	28.7	Very low	37.1	Very low	114 Å²	114	124.7 Å²	124.7	74%	0.74	69%	0.685	S	S	*	*			trans	-65	138.6	-168.7	6.6	-0	0	0	0	110.7	I575	P573-I575 PolarHBondContact O-N 3.04Å
574	Q	25.1	Very low	34.3	Very low	199 Å²	199	125.6 Å²	125.6	93%	0.93	69%	0.694	S	S	*	*			trans	-51.3	107.8	167.6	-75.1	-173.2	-30	0	0	109.9	T572 S576	T572-Q574 PolarHBondContact O-N 3.28Å; Q574-S576 PolarHBondContact O-N 3.12Å
575	I	30.2	Very low	32	Very low	155 Å²	155	130 Å²	130	80%	0.795	72%	0.723	S	S	*	*			trans	-88.2	100.4	154.4	-62.9	176.9	0	0	0	106.1	P573	P573-I575 PolarHBondContact O-N 3.04Å
576	S	27.2	Very low	30.1	Very low	81 Å²	81	129 Å²	129	57%	0.566	72%	0.724	S	S	*	*			trans	7.7	126.1	149.5	48.8	0	0	0	0	117.6	Q574 V578	Q574-S576 PolarHBondContact O-N 3.12Å; S576-V578 PolarHBondContact O-N 3.5Å; S576-V578 VanDerWaalsContact O-N 3.13Å
577	S	25	Very low	28.9	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	74%	0.735	S	S	*	*			trans	-23.5	107.5	149.8	52.3	0	0	0	0	114
578	V	27.1	Very low	28.3	Very low	119 Å²	119	133.1 Å²	133.1	72%	0.721	74%	0.738	S	S	*	*			trans	-95.6	103.3	152.2	-177.9	0	0	0	0	106.1	S576 D580	S576-V578 PolarHBondContact O-N 3.5Å; S576-V578 VanDerWaalsContact O-N 3.13Å; V578-D580 PolarHBondContact O-N 2.76Å; V578-D580 VanDerWaalsContact O-N 3.09Å
579	T	25.3	Very low	27.8	Very low	114 Å²	114	138.3 Å²	138.3	70%	0.699	75%	0.748	S	S	*	*			trans	-56.9	101.7	157.7	43.9	0	0	0	0	108	S581	T579-S581 PolarHBondContact O-N 2.94Å
580	D	26.4	Very low	27.5	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	75%	0.75	S	S	*	*			trans	-76.3	77.7	162.1	-98.6	-16.8	0	0	0	108.2	V578	V578-D580 PolarHBondContact O-N 2.76Å; V578-D580 VanDerWaalsContact O-N 3.09Å
581	S	24.7	Very low	27.2	Very low	76 Å²	76	133.1 Å²	133.1	53%	0.531	75%	0.749	S	S	.	*			trans	-73.9	136.2	149.5	39.3	0	0	0	0	108.4	T579	T579-S581 PolarHBondContact O-N 2.94Å
582	H	26	Very low	26.9	Very low	159 Å²	159	130.8 Å²	130.8	74%	0.736	75%	0.745	S	S	*	*			trans	73.5	82.7	169.6	-52.5	-65.2	0	0	0	118.5
583	I	28.8	Very low	26.9	Very low	129 Å²	129	131.2 Å²	131.2	66%	0.662	75%	0.752	S	S	*	*			trans	-100.7	89	132.3	-62.6	177.5	0	0	0	106.9	S585	I583-S585 PolarHBondContact O-N 3.46Å
584	H	24.8	Very low	26.7	Very low	157 Å²	157	130.8 Å²	130.8	73%	0.727	75%	0.751	S	S	*	*			trans	-69.9	114.6	156.8	-118.4	-91.2	0	0	0	107.1
585	S	27.8	Very low	26.9	Very low	98 Å²	98	129.3 Å²	129.3	69%	0.685	75%	0.75	S	S	*	*			trans	-122.2	92.8	153	63.8	0	0	0	0	107.6	I583 L587	I583-S585 PolarHBondContact O-N 3.46Å; S585-L587 PolarHBondContact O-N 2.78Å
586	F	24.3	Very low	26.6	Very low	174 Å²	174	130.7 Å²	130.7	76%	0.763	75%	0.753	S	S	*	*			trans	26.5	92.8	146.5	-68.9	-89.4	0	0	0	117
587	L	27.6	Very low	26.7	Very low	178 Å²	178	133.1 Å²	133.1	93%	0.932	76%	0.764	S	S	*	*			trans	-119.9	119.6	136.8	-95.9	155.9	0	0	0	106.6	S585	S585-L587 PolarHBondContact O-N 2.78Å
588	I	31.6	Very low	26.7	Very low	149 Å²	149	133.4 Å²	133.4	76%	0.764	76%	0.761	S	S	*	*			trans	-69.9	149.1	-174.2	-70.1	175.2	0	0	0	110.6
589	H	25.4	Very low	26.6	Very low	188 Å²	188	132.3 Å²	132.3	87%	0.87	76%	0.759	S	S	*	*			trans	-39.4	151.1	-175.3	-80.3	-69	0	0	0	120
590	G	27.6	Very low	26.8	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	77%	0.765	S	S	*	*			trans	-174.2	80.8	156.6	0	0	0	0	0	111.8
591	S	26.5	Very low	26.7	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	76%	0.76	S	S	*	*			trans	-58.3	159.9	164.7	39.9	0	0	0	0	112.1
592	S	24.6	Very low	27	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	78%	0.778	S	S	*	*			cis	178.9	142.7	-2.6	36.1	0	0	0	0	107
593	S	29.3	Very low	27	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	78%	0.784	S	S	*	*			trans	170.2	103.1	147.6	27.3	0	0	0	0	109.3
594	S	24.5	Very low	27	Very low	104 Å²	104	140 Å²	140	73%	0.727	80%	0.797	S	S	*	*				57.5	100	89.8	67.8	0	0	0	0	114.8
595	N	29.5	Very low	27	Very low	168 Å²	168	139 Å²	139	90%	0.898	80%	0.802	S	S	*	*				-165.4	128.5	124.7	-94.9	-16.7	0	0	0	111.8
596	Q	24	Very low	27.7	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	80%	0.804	S	S	*	*			trans	-68.1	160.7	160.6	-68.4	174.3	-11.6	0	0	109.6
597	V	29	Very low	28.1	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	81%	0.805	S	S	*	*			trans	171.4	109.2	136	153.2	0	0	0	0	110.2
598	T	26.6	Very low	28.1	Very low	116 Å²	116	135.6 Å²	135.6	71%	0.712	80%	0.799	S	S	*	*			trans	41.3	121.4	138.6	48.5	0	0	0	0	124.4
599	S	24.6	Very low	28	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	80%	0.796	S	S	*	*				25.7	131.5	122.9	62.7	0	0	0	0	122.4
600	Q	29.1	Very low	28.3	Very low	176 Å²	176	131 Å²	131	82%	0.822	80%	0.797	S	S	*	*				164.9	110.9	123.2	-92.2	179.1	14.2	0	0	109.6
601	S	24.5	Very low	28.9	Very low	98 Å²	98	133 Å²	133	69%	0.685	80%	0.796	S	S	*	*				66.7	115.1	93.8	70.9	0	0	0	0	116.6
602	S	31	Very low	29.2	Very low	131 Å²	131	131.7 Å²	131.7	92%	0.916	80%	0.799	S	S	*	*			trans	-159.4	127.1	133.6	-13.5	0	0	0	0	111.5
603	Q	25.6	Very low	29.4	Very low	187 Å²	187	132.2 Å²	132.2	87%	0.874	80%	0.803	S	S	*	*			trans	-78.6	156.1	165.8	-66.8	164.4	-24.4	0	0	109.9
604	Q	29.3	Very low	30	Very low	197 Å²	197	132.8 Å²	132.8	92%	0.921	80%	0.804	S	S	*	*				-173.6	141.6	124	-102.6	170.9	11.2	0	0	112.4
605	T	25	Very low	30.2	Very low	137 Å²	137	131.7 Å²	131.7	84%	0.84	81%	0.809	S	S	*	*			trans	-98.8	-160.3	-179.4	47.9	0	0	0	0	110.7
606	P	42.7	Very low	30.4	Very low	110 Å²	110	128.2 Å²	128.2	71%	0.714	80%	0.804	S	S	*	*				-119.3	-166.4	-110.5	34.9	-11.4	0	0	0	113.7
607	I	31.4	Very low	31	Very low	153 Å²	153	124.7 Å²	124.7	79%	0.785	80%	0.797	S	S	*	*			trans	158.3	111.1	151.1	-83.2	158	0	0	0	109.9
608	S	29	Very low	30.9	Very low	115 Å²	115	127.6 Å²	127.6	80%	0.804	80%	0.799	S	S	*	*				75.3	140	100	99.9	0	0	0	0	116.6
609	G	29.5	Very low	31.2	Very low	68 Å²	68	128.3 Å²	128.3	70%	0.701	80%	0.803	S	S	*	*			cis	-179.3	165.1	2.1	0	0	0	0	0	115
610	L	30.2	Very low	31.6	Very low	171 Å²	171	131.7 Å²	131.7	90%	0.895	81%	0.812	S	S	*	*			trans	53.4	167.1	142	-71.4	146.9	0	0	0	122.9
611	P	41.9	Very low	31.8	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	81%	0.812	S	S	*	*			cis	-143.9	175.4	-49.1	39.5	-21.5	0	0	0	116
612	G	32.5	Very low	32.4	Very low	79 Å²	79	131.6 Å²	131.6	81%	0.814	82%	0.817	S	S	*	*			trans	173.2	110.8	161.6	0	0	0	0	0	116
613	S	29.2	Very low	32.7	Very low	119 Å²	119	131.1 Å²	131.1	83%	0.832	81%	0.81	S	S	*	*			trans	-84	-163.2	-176.9	-53.7	0	0	0	0	113.6
614	P	40.1	Very low	33.2	Very low	125 Å²	125	130 Å²	130	81%	0.812	81%	0.81	S	S	*	*			cis	-149	166.8	-0.4	37	-14	0	0	0	120.6
615	G	30.2	Very low	33.3	Very low	81 Å²	81	128.9 Å²	128.9	84%	0.835	81%	0.809	S	S	*	*			trans	78.2	141.8	142.7	0	0	0	0	0	119.3
616	A	32.3	Very low	33.7	Very low	96 Å²	96	130 Å²	130	79%	0.793	81%	0.809	S	S	*	*			cis	-173.2	-166.9	2.4	0	0	0	0	0	107.1
617	P	37.1	Very low	33.1	Very low	109 Å²	109	129.8 Å²	129.8	71%	0.708	81%	0.81	S	S	*	*				-135.6	168.8	-69.1	39.1	-21.9	0	0	0	116.5
618	K	27.9	Very low	33	Very low	195 Å²	195	129 Å²	129	85%	0.848	81%	0.812	S	S	*	*			trans	54.7	128.6	145.2	-70.9	176.9	179.9	-177.4	0	123
619	T	32.6	Very low	33.1	Very low	131 Å²	131	127.5 Å²	127.5	80%	0.804	80%	0.802	S	S	*	*			trans	-178.9	110.1	135.6	24.6	0	0	0	0	108.2
620	L	31.8	Very low	33.4	Very low	167 Å²	167	129 Å²	129	87%	0.874	80%	0.801	S	S	*	*				72.9	111.7	92.8	-82.8	156.2	0	0	0	115.1
621	D	34.6	Very low	34.1	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	80%	0.798	S	S	*	*			trans	-57.9	163.5	164.6	-65.4	-51.7	0	0	0	111.8
622	P	36.9	Very low	34.8	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	78%	0.783	S	S	*	*				-155.7	-159.9	96.2	46.2	-25.2	0	0	0	113.8
623	P	37.8	Very low	36.5	Very low	120 Å²	120	130.8 Å²	130.8	78%	0.779	77%	0.774	S	S	*	*				-120.6	-179.2	-111.2	28.6	-3.3	0	0	0	115.3
624	N	35.8	Very low	39	Very low	165 Å²	165	128.2 Å²	128.2	88%	0.882	75%	0.753	S	S	*	*			trans	-38.5	134.6	178	-83	-26.9	0	0	0	117.3
625	L	31.4	Very low	41.3	Very low	172 Å²	172	125.2 Å²	125.2	90%	0.901	73%	0.726	S	S	*	*			trans	-139.8	126.3	151.4	-101.1	156.4	0	0	0	110.2
626	I	32.3	Very low	44.3	Very low	162 Å²	162	128.4 Å²	128.4	83%	0.831	72%	0.717	S	S	*	*			trans	-63.4	126.4	173.9	-65.8	160.3	0	0	0	108.9
627	S	30.2	Very low	47.2	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	68%	0.683	S	S	*	*			trans	-143.6	122.2	152.6	102.1	0	0	0	0	111.2	S629	S627-S629 PolarHBondContact O-N 3.14Å
628	T	29	Very low	50	Low	136 Å²	136	124.1 Å²	124.1	83%	0.834	67%	0.669	S	S	*	*			trans	-65.6	111.3	170.9	45.8	0	0	0	0	110.1
629	S	32.3	Very low	53.1	Low	85 Å²	85	115 Å²	115	59%	0.594	63%	0.63	S	S	*	*			trans	-162.7	113.9	147.7	54.6	0	0	0	0	109.2	S627 R631	S627-S629 PolarHBondContact O-N 3.14Å; S629-R631 VanDerWaalsContact C-N 3.33Å; S629-R631 PolarHBondContact O-N 3.09Å
630	S	36.2	Very low	56	Low	98 Å²	98	111 Å²	111	69%	0.685	60%	0.602	S	S	*	*			trans	-64.8	93.5	170.9	56.2	0	0	0	0	108.5
631	R	43.9	Very low	58.9	Low	218 Å²	218	103.2 Å²	103.2	82%	0.823	56%	0.561	S	S	*	*			trans	-62.1	130.1	173.6	-75	-176.7	177.9	-179.8	-0.5	108.2	S629 N633	S629-R631 VanDerWaalsContact C-N 3.33Å; S629-R631 PolarHBondContact O-N 3.09Å; R631-N633 PolarHBondContact O-N 2.96Å
632	P	55.9	Low	61.6	Low	72 Å²	72	96.8 Å²	96.8	47%	0.468	53%	0.528	S	S	.	.			trans	-51.9	142.9	170.7	17.7	-27	0	0	0	109.2	Y563 V634	Y563-P632 VanDerWaalsContact O-CB 3.28Å; Y563-P632 WeakPolarHBondContact O-CB 3.48Å; P632-V634 WeakPolarHBondContact O-CG2 3.41Å; P632-V634 PolarHBondContact O-N 3.41Å
633	N	68.7	Low	64.1	Low	118 Å²	118	91.8 Å²	91.8	63%	0.631	50%	0.495	S	S	*	.			trans	-72	78.3	-174.6	-162.4	-2.4	0	0	0	109.6	R631 R635	R631-N633 PolarHBondContact O-N 2.96Å; N633-R635 PolarHBondContact O-N 2.94Å
634	V	82.4	Confident	66.7	Low	65 Å²	65	86.6 Å²	86.6	39%	0.394	46%	0.46	S	S	.	.			trans	-68.1	120.9	-175.3	177.6	0	0	0	0	109.7	V561 F562 Y563 P632	V561-V634 HydrophobicContact CG1-CG1 3.38Å; F562-V634 WeakPolarHBondContact O-CA 3.42Å; Y563-V634 HydrophobicContact CD1-CG2 3.95Å; Y563-V634 HydrophobicContact CE1-CG2 4.39Å; P632-V634 WeakPolarHBondContact O-CG2 3.41Å; P632-V634 PolarHBondContact O-N 3.41Å
635	R	88.4	Confident	69.5	Low	62 Å²	62	78.8 Å²	78.8	23%	0.234	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.9	179.9	-60.4	166.4	-153.8	165.2	0.8	109.6	V561 F562 N633 Y637 F712	V561-R635 WeakPolarHBondContact CA-O 3.34Å; F562-R635 PolarHBondContact N-O 3.34Å; F562-R635 PolarHBondContact O-N 3.37Å; N633-R635 PolarHBondContact O-N 2.94Å; R635-Y637 HydrophobicContact CB-CD2 4.44Å; R635-Y637 HydrophobicContact CB-CE2 3.76Å; R635-F712 PolarHBondContact NH1-O 3.08Å
636	K	92	Very high	72.5	Confident	148 Å²	148	71.6 Å²	71.6	64%	0.643	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.2	177.8	-61.3	-171.2	178.9	-179.7	0	110.5	A560 V561	A560-K636 WeakPolarHBondContact O-CA 3.26Å; V561-K636 HydrophobicContact CG2-CG 4.27Å
637	Y	94.6	Very high	75.5	Confident	20 Å²	20	64 Å²	64	8%	0.078	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.2	177.6	-65	-75.5	0	0	0	110.4	A560 F562 R635 F712 S714 H716 I717 V719	A560-Y637 PolarHBondContact N-O 2.83Å; A560-Y637 PolarHBondContact O-N 3.1Å; F562-Y637 AromaticContact CD2-CD2 3.74Å; F562-Y637 HydrophobicContact CD2-CD2 3.74Å; F562-Y637 HydrophobicContact CD2-CE2 4.29Å; F562-Y637 AromaticContact CE2-CD2 3.84Å; F562-Y637 HydrophobicContact CE2-CD2 3.84Å; R635-Y637 HydrophobicContact CB-CD2 4.44Å; R635-Y637 HydrophobicContact CB-CE2 3.76Å; Y637-F712 AromaticContact CD2-CD1 3.94Å; Y637-F712 HydrophobicContact CD2-CD1 3.94Å; Y637-F712 AromaticContact CD2-CE1 3.9Å; Y637-F712 HydrophobicContact CD2-CE1 3.9Å; Y637-F712 AromaticContact CE2-CD1 3.82Å; Y637-F712 HydrophobicContact CE2-CD1 3.82Å; Y637-F712 AromaticContact CE2-CE1 3.97Å; Y637-F712 HydrophobicContact CE2-CE1 3.97Å; Y637-F712 HydrophobicContact CG-CE1 4.23Å; Y637-S714 PolarHBondContact OH-N 2.96Å; Y637-S714 VanDerWaalsContact OH-N 3.16Å; Y637-S714 PolarHBondContact OH-O 2.9Å; Y637-H716 WeakPolarHBondContact CD1-O 3.4Å; Y637-I717 CarbonylContact C-O 3.48Å; Y637-I717 WeakPolarHBondContact CA-O 3.4Å; Y637-V719 HydrophobicContact CD1-CG2 4.09Å; Y637-V719 HydrophobicContact CG-CG2 4.49Å
638	F	94.6	Very high	78.7	Confident	96 Å²	96	59 Å²	59	42%	0.421	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.6	165.9	-71.2	-80.5	0	0	0	108.8	L558 I717 K718 V719	L558-F638 CarbonylContact O-C 3.47Å; L558-F638 VanDerWaalsContact O-CA 3.28Å; L558-F638 WeakPolarHBondContact O-CA 3.45Å; F638-I717 HydrophobicContact CD2-CG2 4.1Å; F638-I717 PolarHBondContact N-O 2.91Å; F638-K718 HydrophobicContact CB-CG 4.1Å; F638-K718 CarbonylContact O-C 3.58Å; F638-K718 WeakPolarHBondContact O-CA 3.4Å; F638-V719 PolarHBondContact O-N 2.99Å
639	L	94.8	Very high	81.9	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.1	-178.6	-51.8	-177.2	0	0	0	109.7	E557 L558 A560 V641 L649 I690 V719	E557-L639 CarbonylContact C-O 3.43Å; E557-L639 WeakPolarHBondContact CA-O 3.28Å; L558-L639 HydrophobicContact CB-CB 4.38Å; L558-L639 PolarHBondContact N-O 3.38Å; L558-L639 PolarHBondContact O-N 2.89Å; A560-L639 HydrophobicContact CB-CD1 3.6Å; A560-L639 HydrophobicContact CB-CD2 4.47Å; A560-L639 HydrophobicContact CB-CG 3.75Å; L639-V641 HydrophobicContact CB-CG1 3.96Å; L639-L649 HydrophobicContact CD1-CD1 4.2Å; L639-I690 HydrophobicContact CD1-CD1 4.1Å; L639-I690 HydrophobicContact CD1-CG1 4.21Å; L639-I690 HydrophobicContact CD1-CG2 4.14Å; L639-I690 HydrophobicContact CD2-CD1 3.83Å; L639-V719 CarbonylContact C-O 3.52Å; L639-V719 WeakPolarHBondContact CA-O 3.32Å; L639-V719 HydrophobicContact CD2-CB 3.86Å; L639-V719 HydrophobicContact CD2-CG1 4.44Å; L639-V719 HydrophobicContact CD2-CG2 4.37Å
640	Q	92.5	Very high	84.8	Confident	47 Å²	47	52.4 Å²	52.4	22%	0.22	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	114	167.6	-171.9	-176.1	11.5	0	0	108.6	Y555 A556 E557 V719 R720 V721	Y555-Q640 HydrophobicContact CD2-CG 4.26Å; A556-Q640 WeakPolarHBondContact O-CA 3.43Å; E557-Q640 HydrophobicContact CG-CB 4.37Å; E557-Q640 HydrophobicContact CG-CG 4.32Å; Q640-V719 PolarHBondContact N-O 3.2Å; Q640-R720 HydrophobicContact CB-CB 4.41Å; Q640-R720 HydrophobicContact CB-CG 4.26Å; Q640-R720 HydrophobicContact CG-CG 4.46Å; Q640-V721 PolarHBondContact O-N 2.99Å
641	V	93	Very high	87.6	Confident	3 Å²	3	49 Å²	49	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.5	-170.4	-64	0	0	0	0	111.1	Y555 A556 L558 L639 Q645 M646 L649 V721	Y555-V641 CarbonylContact C-O 3.38Å; Y555-V641 WeakPolarHBondContact CA-O 3.37Å; Y555-V641 VanDerWaalsContact CB-O 3.29Å; Y555-V641 WeakPolarHBondContact CB-O 3.44Å; A556-V641 HydrophobicContact CB-CG2 4.43Å; A556-V641 PolarHBondContact N-O 3.3Å; A556-V641 PolarHBondContact O-N 3.32Å; L558-V641 HydrophobicContact CD1-CG2 3.77Å; L558-V641 HydrophobicContact CG-CG2 4.01Å; L639-V641 HydrophobicContact CB-CG1 3.96Å; V641-Q645 HydrophobicContact CB-CB 3.74Å; V641-Q645 HydrophobicContact CG1-CB 4.38Å; V641-Q645 HydrophobicContact CG2-CB 4.39Å; V641-M646 HydrophobicContact CG2-CB 3.95Å; V641-L649 HydrophobicContact CG1-CD1 3.99Å; V641-V721 HydrophobicContact CG1-CB 4.04Å; V641-V721 HydrophobicContact CG1-CG2 3.89Å
642	S	90.6	Very high	90.1	Very high	17 Å²	17	39.2 Å²	39.2	12%	0.119	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	162.7	168.8	73.4	0	0	0	0	111.4	Y644 Q645 M646	S642-Y644 VanDerWaalsContact C-N 3.27Å; S642-Y644 PolarHBondContact O-N 3.3Å; S642-Q645 PolarHBondContact O-N 2.9Å; S642-Q645 VanDerWaalsContact O-N 3.15Å; S642-Q645 VanDerWaalsContact OG-CG 3.29Å; S642-Q645 WeakPolarHBondContact OG-CG 3.4Å; S642-Q645 PolarHBondContact OG-N 3.45Å; S642-Q645 VanDerWaalsContact OG-N 3.17Å; S642-M646 PolarHBondContact O-N 3.31Å
643	T	90.9	Very high	91.8	Very high	15 Å²	15	41.8 Å²	41.8	9%	0.092	20%	0.204	C	C	.	.	H	α-helix	trans	-55.3	-42.1	174.6	-47.6	0	0	0	0	112.2	L523 T551 G554 M646 I647	L523-T643 HydrophobicContact CD2-CG2 3.98Å; T551-T643 HydrophobicContact CG2-CG2 4.42Å; T551-T643 WeakPolarHBondContact O-CB 3.31Å; T551-T643 PolarHBondContact O-OG1 3.22Å; G554-T643 WeakPolarHBondContact CA-OG1 3.37Å; G554-T643 PolarHBondContact O-N 3.4Å; G554-T643 PolarHBondContact O-OG1 2.7Å; T643-M646 HydrophobicContact CG2-CE 4.04Å; T643-M646 WeakPolarHBondContact O-CB 3.37Å; T643-M646 PolarHBondContact O-N 3.45Å; T643-I647 HydrophobicContact CG2-CD1 4.14Å; T643-I647 VanDerWaalsContact O-CG1 3.3Å; T643-I647 WeakPolarHBondContact O-CG1 3.37Å; T643-I647 PolarHBondContact O-N 3.16Å
644	Y	92.1	Very high	92.9	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-42.9	177.2	-67.5	-25.9	0	0	0	112.3	E521 N552 S642 M646 I647 I648 I669 E673	E521-Y644 HydrophobicContact CG-CE1 3.8Å; E521-Y644 VanDerWaalsContact OE1-CE1 3.27Å; E521-Y644 WeakPolarHBondContact OE1-CE1 3.37Å; E521-Y644 PolarHBondContact OE1-OH 3.5Å; N552-Y644 HydrophobicContact CB-CE2 3.77Å; S642-Y644 VanDerWaalsContact C-N 3.27Å; S642-Y644 PolarHBondContact O-N 3.3Å; Y644-M646 VanDerWaalsContact C-N 3.31Å; Y644-M646 PolarHBondContact O-N 3.5Å; Y644-I647 HydrophobicContact CD1-CD1 4.32Å; Y644-I647 PolarHBondContact O-N 3.31Å; Y644-I648 WeakPolarHBondContact O-CD1 3.28Å; Y644-I648 VanDerWaalsContact O-CG1 3.24Å; Y644-I648 WeakPolarHBondContact O-CG1 3.39Å; Y644-I648 PolarHBondContact O-N 3.45Å; Y644-I669 HydrophobicContact CD1-CD1 4.11Å; Y644-I669 HydrophobicContact CD1-CG1 3.94Å; Y644-I669 HydrophobicContact CD1-CG2 4.21Å; Y644-I669 HydrophobicContact CD2-CG2 4.27Å; Y644-I669 HydrophobicContact CE1-CG1 4.4Å; Y644-I669 HydrophobicContact CE1-CG2 4.46Å; Y644-I669 HydrophobicContact CE2-CG2 4.5Å; Y644-I669 HydrophobicContact CG-CD1 4.3Å; Y644-I669 HydrophobicContact CG-CG1 4.44Å; Y644-I669 HydrophobicContact CG-CG2 4.11Å; Y644-E673 HydrophobicContact CD2-CB 3.9Å; Y644-E673 HydrophobicContact CE2-CB 3.73Å; Y644-E673 HydrophobicContact CE2-CG 4.02Å
645	Q	94.5	Very high	93.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-38.8	174.3	-71.9	169.2	-13.1	0	0	111.6	V641 S642 I648 L649 L681	V641-Q645 HydrophobicContact CB-CB 3.74Å; V641-Q645 HydrophobicContact CG1-CB 4.38Å; V641-Q645 HydrophobicContact CG2-CB 4.39Å; S642-Q645 PolarHBondContact O-N 2.9Å; S642-Q645 VanDerWaalsContact O-N 3.15Å; S642-Q645 VanDerWaalsContact OG-CG 3.29Å; S642-Q645 WeakPolarHBondContact OG-CG 3.4Å; S642-Q645 PolarHBondContact OG-N 3.45Å; S642-Q645 VanDerWaalsContact OG-N 3.17Å; Q645-I648 PolarHBondContact O-N 3.09Å; Q645-L649 WeakPolarHBondContact O-CB 3.41Å; Q645-L649 VanDerWaalsContact O-CG 3.23Å; Q645-L649 WeakPolarHBondContact O-CG 3.41Å; Q645-L649 PolarHBondContact O-N 3.29Å; Q645-L681 HydrophobicContact CB-CD1 4.14Å; Q645-L681 HydrophobicContact CB-CD2 4.42Å; Q645-L681 HydrophobicContact CG-CD1 4Å; Q645-L681 HydrophobicContact CG-CD2 4.34Å; Q645-L681 HydrophobicContact CG-CG 4.08Å
646	M	94.8	Very high	93.5	Very high	21 Å²	21	51 Å²	51	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-51.1	172.4	169	-171.9	79	0	0	111.6	L523 P524 A556 L558 V641 S642 T643 Y644 I648 L649 M650	L523-M646 HydrophobicContact CD2-CE 4.32Å; P524-M646 HydrophobicContact CG-CE 4.12Å; P524-M646 HydrophobicContact CG-CG 4.5Å; A556-M646 HydrophobicContact CB-CB 4.09Å; A556-M646 HydrophobicContact CB-CG 4.2Å; A556-M646 HydrophobicContact CB-SD 3.46Å; A556-M646 WeakPolarHBondContact CB-SD 3.36Å; L558-M646 HydrophobicContact CD1-CB 4.23Å; L558-M646 HydrophobicContact CD1-CG 4.24Å; L558-M646 HydrophobicContact CD2-CG 3.89Å; L558-M646 HydrophobicContact CD2-SD 4.3Å; V641-M646 HydrophobicContact CG2-CB 3.95Å; S642-M646 PolarHBondContact O-N 3.31Å; T643-M646 HydrophobicContact CG2-CE 4.04Å; T643-M646 WeakPolarHBondContact O-CB 3.37Å; T643-M646 PolarHBondContact O-N 3.45Å; Y644-M646 VanDerWaalsContact C-N 3.31Å; Y644-M646 PolarHBondContact O-N 3.5Å; M646-I648 VanDerWaalsContact C-N 3.26Å; M646-I648 PolarHBondContact O-N 3.47Å; M646-L649 PolarHBondContact O-N 3.29Å; M646-M650 HydrophobicContact CG-CG 4.14Å; M646-M650 WeakPolarHBondContact O-CB 3.24Å; M646-M650 VanDerWaalsContact O-CG 3.25Å; M646-M650 WeakPolarHBondContact O-CG 3.48Å; M646-M650 PolarHBondContact O-N 2.91Å
647	I	95.2	Very high	93.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-44.9	179.9	-68.5	165.3	0	0	0	110.2	E521 L523 T643 Y644 T667 I669	E521-I647 HydrophobicContact CB-CD1 3.94Å; L523-I647 HydrophobicContact CD2-CD1 4Å; L523-I647 HydrophobicContact CD2-CG1 4.29Å; T643-I647 HydrophobicContact CG2-CD1 4.14Å; T643-I647 VanDerWaalsContact O-CG1 3.3Å; T643-I647 WeakPolarHBondContact O-CG1 3.37Å; T643-I647 PolarHBondContact O-N 3.16Å; Y644-I647 HydrophobicContact CD1-CD1 4.32Å; Y644-I647 PolarHBondContact O-N 3.31Å; I647-T667 HydrophobicContact CG2-CG2 3.77Å; I647-I669 HydrophobicContact CB-CD1 4.22Å; I647-I669 HydrophobicContact CG2-CD1 4.06Å
648	I	95.9	Very high	93.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-51.9	177	-65.5	160.2	0	0	0	111	Y644 Q645 M646 M650 K651 F652 L663 I669 L674 L678 L681 L691	Y644-I648 WeakPolarHBondContact O-CD1 3.28Å; Y644-I648 VanDerWaalsContact O-CG1 3.24Å; Y644-I648 WeakPolarHBondContact O-CG1 3.39Å; Y644-I648 PolarHBondContact O-N 3.45Å; Q645-I648 PolarHBondContact O-N 3.09Å; M646-I648 VanDerWaalsContact C-N 3.26Å; M646-I648 PolarHBondContact O-N 3.47Å; I648-M650 VanDerWaalsContact C-N 3.3Å; I648-M650 PolarHBondContact O-N 2.8Å; I648-K651 WeakPolarHBondContact O-CB 3.46Å; I648-K651 PolarHBondContact O-N 3.26Å; I648-K651 VanDerWaalsContact O-N 3.17Å; I648-F652 HydrophobicContact CG2-CE2 4.12Å; I648-F652 WeakPolarHBondContact O-CD2 3.29Å; I648-L663 HydrophobicContact CG2-CD1 4.41Å; I648-L663 HydrophobicContact CG2-CD2 4.5Å; I648-I669 HydrophobicContact CD1-CD1 4.15Å; I648-I669 HydrophobicContact CG1-CD1 3.84Å; I648-L674 HydrophobicContact CD1-CD1 3.6Å; I648-L674 HydrophobicContact CG1-CD1 3.91Å; I648-L678 HydrophobicContact CD1-CG 4.46Å; I648-L678 HydrophobicContact CG2-CD2 3.99Å; I648-L681 HydrophobicContact CB-CD1 4.44Å; I648-L681 HydrophobicContact CD1-CD1 4.5Å; I648-L681 HydrophobicContact CG2-CD1 4.14Å; I648-L691 HydrophobicContact CG2-CD1 4.27Å
649	L	96.1	Very high	93.9	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-36.6	-175.9	-72.9	174	0	0	0	112.3	L558 L639 V641 Q645 M646 K651 F652 L681 I690 L691	L558-L649 HydrophobicContact CD1-CB 4.24Å; L558-L649 HydrophobicContact CD1-CD1 4.03Å; L639-L649 HydrophobicContact CD1-CD1 4.2Å; V641-L649 HydrophobicContact CG1-CD1 3.99Å; Q645-L649 WeakPolarHBondContact O-CB 3.41Å; Q645-L649 VanDerWaalsContact O-CG 3.23Å; Q645-L649 WeakPolarHBondContact O-CG 3.41Å; Q645-L649 PolarHBondContact O-N 3.29Å; M646-L649 PolarHBondContact O-N 3.29Å; L649-K651 PolarHBondContact O-N 3.48Å; L649-F652 PolarHBondContact O-N 2.9Å; L649-F652 VanDerWaalsContact O-N 3.12Å; L649-L681 HydrophobicContact CD1-CD2 4.02Å; L649-L681 HydrophobicContact CD2-CD1 4.39Å; L649-L681 HydrophobicContact CD2-CD2 4.22Å; L649-L681 HydrophobicContact CG-CD1 4.29Å; L649-L681 HydrophobicContact CG-CD2 4.26Å; L649-I690 HydrophobicContact CD2-CB 4.43Å; L649-I690 HydrophobicContact CD2-CG2 3.61Å; L649-L691 HydrophobicContact CD2-CD2 4.14Å; L649-L691 HydrophobicContact CD2-CG 4.26Å
650	M	94.6	Very high	93.9	Very high	61 Å²	61	45.1 Å²	45.1	30%	0.3	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-23.2	179.1	-71	-60.9	-69.6	0	0	113.2	P524 M646 I648 F652 N653	P524-M650 HydrophobicContact CG-CB 4.18Å; P524-M650 HydrophobicContact CG-CG 3.89Å; M646-M650 HydrophobicContact CG-CG 4.14Å; M646-M650 WeakPolarHBondContact O-CB 3.24Å; M646-M650 VanDerWaalsContact O-CG 3.25Å; M646-M650 WeakPolarHBondContact O-CG 3.48Å; M646-M650 PolarHBondContact O-N 2.91Å; I648-M650 VanDerWaalsContact C-N 3.3Å; I648-M650 PolarHBondContact O-N 2.8Å; M650-F652 VanDerWaalsContact C-N 3.29Å; M650-F652 PolarHBondContact O-N 3.31Å; M650-N653 PolarHBondContact O-N 3.37Å
651	K	95	Very high	94.1	Very high	27 Å²	27	47.5 Å²	47.5	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-33.6	173.8	-65.1	-65	-174.7	163.7	0	112.4	I648 L649 N653 R654 R655 Y658 E666 T667	I648-K651 WeakPolarHBondContact O-CB 3.46Å; I648-K651 PolarHBondContact O-N 3.26Å; I648-K651 VanDerWaalsContact O-N 3.17Å; L649-K651 PolarHBondContact O-N 3.48Å; K651-N653 PolarHBondContact O-N 3.42Å; K651-N653 VanDerWaalsContact O-N 3.14Å; K651-R654 PolarHBondContact O-N 3.4Å; K651-R655 PolarHBondContact O-N 2.9Å; K651-Y658 HydrophobicContact CB-CE2 3.86Å; K651-Y658 PolarHBondContact O-OH 3.11Å; K651-E666 WeakPolarHBondContact CE-O 3.49Å; K651-E666 PolarHBondContact NZ-O 3.19Å; K651-E666 IonicContact NZ-OE2 2.59Å; K651-E666 PolarHBondContact NZ-OE2 2.8Å; K651-T667 HydrophobicContact CG-CG2 4.11Å
652	F	95.1	Very high	94.2	Very high	12 Å²	12	50 Å²	50	5%	0.053	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.9	-178.5	-70.8	-82.7	0	0	0	114.2	I648 L649 M650 R654 R655 Y658 L691 F706 V708	I648-F652 HydrophobicContact CG2-CE2 4.12Å; I648-F652 WeakPolarHBondContact O-CD2 3.29Å; L649-F652 PolarHBondContact O-N 2.9Å; L649-F652 VanDerWaalsContact O-N 3.12Å; M650-F652 VanDerWaalsContact C-N 3.29Å; M650-F652 PolarHBondContact O-N 3.31Å; F652-R654 PolarHBondContact O-N 3.07Å; F652-R655 WeakPolarHBondContact CA-O 3.43Å; F652-Y658 HydrophobicContact CD1-CD2 4.08Å; F652-Y658 AromaticContact CE1-CD2 3.8Å; F652-Y658 HydrophobicContact CE1-CD2 3.8Å; F652-Y658 HydrophobicContact CZ-CD2 4.08Å; F652-L691 HydrophobicContact CD2-CD2 4Å; F652-L691 HydrophobicContact CE1-CD2 4.39Å; F652-L691 HydrophobicContact CE2-CD1 3.88Å; F652-L691 HydrophobicContact CE2-CD2 3.75Å; F652-L691 HydrophobicContact CG-CD2 4.41Å; F652-L691 HydrophobicContact CZ-CD1 4.23Å; F652-L691 HydrophobicContact CZ-CD2 3.96Å; F652-F706 WeakPolarHBondContact CE1-O 3.42Å; F652-F706 HydrophobicContact CZ-CB 4.05Å; F652-V708 HydrophobicContact CB-CG2 3.65Å; F652-V708 HydrophobicContact CD1-CG2 3.87Å; F652-V708 HydrophobicContact CG-CG2 3.85Å
653	N	92.7	Very high	94.5	Very high	127 Å²	127	49.2 Å²	49.2	68%	0.679	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.7	169.6	-67.3	-35	0	0	0	113	M650 K651	M650-N653 PolarHBondContact O-N 3.37Å; K651-N653 PolarHBondContact O-N 3.42Å; K651-N653 VanDerWaalsContact O-N 3.14Å
654	R	90.9	Very high	94.6	Very high	198 Å²	198	49.9 Å²	49.9	75%	0.747	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-34.3	-179.2	-61.6	-177	-179.2	-177.4	-1.1	112.7	K651 F652	K651-R654 PolarHBondContact O-N 3.4Å; F652-R654 PolarHBondContact O-N 3.07Å
655	R	92.9	Very high	94.7	Very high	113 Å²	113	53 Å²	53	43%	0.426	26%	0.256	S	S	.	.			trans	-148.1	138.7	-177.6	-177.5	-177.4	176.5	-169.9	-8.7	110.4	K651 F652 R657 Y658 E662	K651-R655 PolarHBondContact O-N 2.9Å; F652-R655 WeakPolarHBondContact CA-O 3.43Å; R655-R657 WeakPolarHBondContact CD-O 3.42Å; R655-R657 WeakPolarHBondContact CG-O 3.41Å; R655-R657 PolarHBondContact NE-O 3.36Å; R655-R657 VanDerWaalsContact NE-O 3.08Å; R655-R657 PolarHBondContact O-N 3Å; R655-Y658 HydrophobicContact CB-CE2 3.68Å; R655-Y658 HydrophobicContact CG-CE2 4.3Å; R655-Y658 WeakPolarHBondContact O-CE2 3.38Å; R655-E662 IonicContact CZ-OE1 2.98Å; R655-E662 VanDerWaalsContact CZ-OE1 3.32Å; R655-E662 IonicContact NH1-OE1 3.38Å; R655-E662 PolarHBondContact NH1-OE1 2.67Å; R655-E662 IonicContact NH1-OE2 3.64Å; R655-E662 IonicContact NH2-OE1 2.76Å; R655-E662 PolarHBondContact NH2-OE1 2.63Å; R655-E662 IonicContact NH2-OE2 3.56Å
656	N	90.4	Very high	94.7	Very high	127 Å²	127	56.2 Å²	56.2	68%	0.679	27%	0.271	S	S	*	.	S	Bend	trans	-77.8	-17.7	-171.7	-62.7	-17.5	0	0	0	114.6	Y707	N656-Y707 WeakPolarHBondContact O-CA 3.32Å; N656-Y707 VanDerWaalsContact O-CB 3.26Å; N656-Y707 WeakPolarHBondContact O-CB 3.34Å
657	R	96	Very high	94.6	Very high	108 Å²	108	55.2 Å²	55.2	41%	0.408	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135.8	-173.7	-55.8	-175.4	69.3	116.1	-1.5	110.5	R655 E694 V705 F706	R655-R657 WeakPolarHBondContact CD-O 3.42Å; R655-R657 WeakPolarHBondContact CG-O 3.41Å; R655-R657 PolarHBondContact NE-O 3.36Å; R655-R657 VanDerWaalsContact NE-O 3.08Å; R655-R657 PolarHBondContact O-N 3Å; R657-E694 IonicContact CZ-OE2 3.52Å; R657-E694 IonicContact NH2-OE2 2.63Å; R657-E694 PolarHBondContact NH2-OE2 3Å; R657-V705 HydrophobicContact CB-CG1 4.25Å; R657-F706 WeakPolarHBondContact CA-O 3.19Å
658	Y	97.2	Very high	94.5	Very high	7 Å²	7	59.6 Å²	59.6	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.1	176.4	-76	-87.5	0	0	0	111	K651 F652 R655 E662 L663 E666 V705 F706	K651-Y658 HydrophobicContact CB-CE2 3.86Å; K651-Y658 PolarHBondContact O-OH 3.11Å; F652-Y658 HydrophobicContact CD1-CD2 4.08Å; F652-Y658 AromaticContact CE1-CD2 3.8Å; F652-Y658 HydrophobicContact CE1-CD2 3.8Å; F652-Y658 HydrophobicContact CZ-CD2 4.08Å; R655-Y658 HydrophobicContact CB-CE2 3.68Å; R655-Y658 HydrophobicContact CG-CE2 4.3Å; R655-Y658 WeakPolarHBondContact O-CE2 3.38Å; Y658-E662 HydrophobicContact CD1-CB 4.01Å; Y658-L663 HydrophobicContact CD1-CD2 4.16Å; Y658-L663 HydrophobicContact CD2-CD2 4.3Å; Y658-L663 HydrophobicContact CG-CD2 3.84Å; Y658-L663 HydrophobicContact CG-CG 4.3Å; Y658-E666 WeakPolarHBondContact CE1-OE1 3.39Å; Y658-V705 CarbonylContact O-C 3.47Å; Y658-V705 WeakPolarHBondContact O-CA 3.47Å; Y658-F706 PolarHBondContact N-O 2.93Å; Y658-F706 PolarHBondContact O-N 3.4Å
659	S	96.2	Very high	94.3	Very high	21 Å²	21	59.9 Å²	59.9	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	161.6	164.9	62.3	0	0	0	0	111.7	I661 E662 L663 D704	S659-I661 VanDerWaalsContact C-N 3.3Å; S659-I661 PolarHBondContact O-N 2.9Å; S659-E662 WeakPolarHBondContact CB-OE2 3.45Å; S659-E662 PolarHBondContact N-OE2 3.11Å; S659-E662 PolarHBondContact O-N 3.42Å; S659-E662 WeakPolarHBondContact OG-CB 3.42Å; S659-E662 VanDerWaalsContact OG-CD 3.28Å; S659-E662 WeakPolarHBondContact OG-CG 3.43Å; S659-E662 PolarHBondContact OG-N 2.75Å; S659-E662 PolarHBondContact OG-OE2 2.98Å; S659-L663 PolarHBondContact O-N 2.87Å; S659-D704 CarbonylContact C-O 3.35Å; S659-D704 VanDerWaalsContact CA-O 3.23Å; S659-D704 WeakPolarHBondContact CA-O 3.4Å
660	F	96.5	Very high	93.9	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-56.9	-43.3	174.5	-178.8	-91.1	0	0	0	112.2	L663 A664 E671 L674 K675 L678 I700 D704 F706	F660-L663 PolarHBondContact O-N 2.88Å; F660-A664 WeakPolarHBondContact O-CB 3.29Å; F660-A664 PolarHBondContact O-N 3.18Å; F660-E671 HydrophobicContact CE1-CG 3.71Å; F660-E671 HydrophobicContact CZ-CG 3.6Å; F660-L674 HydrophobicContact CD2-CD2 4.2Å; F660-L674 HydrophobicContact CD2-CG 4.35Å; F660-L674 HydrophobicContact CE1-CD2 4.38Å; F660-L674 HydrophobicContact CE2-CB 4.36Å; F660-L674 HydrophobicContact CE2-CD2 3.78Å; F660-L674 HydrophobicContact CE2-CG 3.75Å; F660-L674 HydrophobicContact CZ-CB 4.49Å; F660-L674 HydrophobicContact CZ-CD2 3.89Å; F660-L674 HydrophobicContact CZ-CG 4.19Å; F660-K675 HydrophobicContact CE2-CB 4.2Å; F660-K675 HydrophobicContact CZ-CB 4.46Å; F660-L678 HydrophobicContact CD2-CD1 3.62Å; F660-L678 HydrophobicContact CE2-CD1 3.98Å; F660-I700 HydrophobicContact CD2-CG2 3.56Å; F660-I700 HydrophobicContact CE2-CG2 3.95Å; F660-I700 HydrophobicContact CG-CG2 4.29Å; F660-D704 PolarHBondContact N-O 3Å; F660-F706 HydrophobicContact CB-CE2 4.21Å
661	I	95.6	Very high	93.7	Very high	98 Å²	98	65.7 Å²	65.7	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-44.2	178	-69.3	160.6	0	0	0	111.4	S659 L663 A664 S665 S702	S659-I661 VanDerWaalsContact C-N 3.3Å; S659-I661 PolarHBondContact O-N 2.9Å; I661-L663 VanDerWaalsContact C-N 3.34Å; I661-L663 PolarHBondContact O-N 2.79Å; I661-A664 PolarHBondContact O-N 2.91Å; I661-S665 PolarHBondContact O-N 3.03Å; I661-S665 PolarHBondContact O-OG 2.84Å; I661-S702 WeakPolarHBondContact CD1-O 3.44Å; I661-S702 WeakPolarHBondContact CG1-O 3.42Å; I661-S702 PolarHBondContact N-O 2.95Å
662	E	95.6	Very high	93.3	Very high	55 Å²	55	71.2 Å²	71.2	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-41.3	176.7	-72	166	134.3	0	0	111.2	R655 Y658 S659 S665 E666	R655-E662 IonicContact CZ-OE1 2.98Å; R655-E662 VanDerWaalsContact CZ-OE1 3.32Å; R655-E662 IonicContact NH1-OE1 3.38Å; R655-E662 PolarHBondContact NH1-OE1 2.67Å; R655-E662 IonicContact NH1-OE2 3.64Å; R655-E662 IonicContact NH2-OE1 2.76Å; R655-E662 PolarHBondContact NH2-OE1 2.63Å; R655-E662 IonicContact NH2-OE2 3.56Å; Y658-E662 HydrophobicContact CD1-CB 4.01Å; S659-E662 WeakPolarHBondContact CB-OE2 3.45Å; S659-E662 PolarHBondContact N-OE2 3.11Å; S659-E662 PolarHBondContact O-N 3.42Å; S659-E662 WeakPolarHBondContact OG-CB 3.42Å; S659-E662 VanDerWaalsContact OG-CD 3.28Å; S659-E662 WeakPolarHBondContact OG-CG 3.43Å; S659-E662 PolarHBondContact OG-N 2.75Å; S659-E662 PolarHBondContact OG-OE2 2.98Å; E662-S665 PolarHBondContact O-OG 3.3Å; E662-S665 VanDerWaalsContact O-OG 3.1Å; E662-E666 VanDerWaalsContact O-CB 3.25Å; E662-E666 WeakPolarHBondContact O-CB 3.48Å; E662-E666 WeakPolarHBondContact O-CG 3.25Å; E662-E666 PolarHBondContact O-N 2.98Å
663	L	95.8	Very high	92.9	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-42.4	174.7	-71.6	175.1	0	0	0	111.7	I648 Y658 S659 F660 I661 T667 L674 L678 F706	I648-L663 HydrophobicContact CG2-CD1 4.41Å; I648-L663 HydrophobicContact CG2-CD2 4.5Å; Y658-L663 HydrophobicContact CD1-CD2 4.16Å; Y658-L663 HydrophobicContact CD2-CD2 4.3Å; Y658-L663 HydrophobicContact CG-CD2 3.84Å; Y658-L663 HydrophobicContact CG-CG 4.3Å; S659-L663 PolarHBondContact O-N 2.87Å; F660-L663 PolarHBondContact O-N 2.88Å; I661-L663 VanDerWaalsContact C-N 3.34Å; I661-L663 PolarHBondContact O-N 2.79Å; L663-T667 VanDerWaalsContact O-CB 3.26Å; L663-T667 WeakPolarHBondContact O-CB 3.43Å; L663-T667 VanDerWaalsContact O-CG2 3.25Å; L663-T667 WeakPolarHBondContact O-CG2 3.5Å; L663-T667 PolarHBondContact O-N 2.92Å; L663-T667 PolarHBondContact O-OG1 3.17Å; L663-L674 HydrophobicContact CB-CD1 4.32Å; L663-L674 HydrophobicContact CB-CD2 4.26Å; L663-L678 HydrophobicContact CD1-CD1 4.03Å; L663-L678 HydrophobicContact CD1-CD2 3.85Å; L663-F706 HydrophobicContact CD1-CD2 4.22Å
664	A	94.2	Very high	92.9	Very high	29 Å²	29	67.2 Å²	67.2	24%	0.24	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-47.3	179	0	0	0	0	0	111.7	F660 I661 N668 L674	F660-A664 WeakPolarHBondContact O-CB 3.29Å; F660-A664 PolarHBondContact O-N 3.18Å; I661-A664 PolarHBondContact O-N 2.91Å; A664-N668 WeakPolarHBondContact O-CA 3.21Å; A664-N668 PolarHBondContact O-N 3.27Å; A664-N668 VanDerWaalsContact O-N 3.08Å; A664-L674 HydrophobicContact CB-CD2 3.65Å
665	S	93.5	Very high	92.9	Very high	77 Å²	77	60.9 Å²	60.9	54%	0.538	30%	0.299	S	S	.	.	H	α-helix	trans	-70.1	-38.5	-179.5	65.6	0	0	0	0	112.9	I661 E662 N668	I661-S665 PolarHBondContact O-N 3.03Å; I661-S665 PolarHBondContact O-OG 2.84Å; E662-S665 PolarHBondContact O-OG 3.3Å; E662-S665 VanDerWaalsContact O-OG 3.1Å; S665-N668 PolarHBondContact O-OD1 3.21Å
666	E	93.8	Very high	92.7	Very high	69 Å²	69	59 Å²	59	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-82.7	-22.7	-176.2	-77.6	-163.9	-148.9	0	0	114.6	K651 Y658 E662	K651-E666 WeakPolarHBondContact CE-O 3.49Å; K651-E666 PolarHBondContact NZ-O 3.19Å; K651-E666 IonicContact NZ-OE2 2.59Å; K651-E666 PolarHBondContact NZ-OE2 2.8Å; Y658-E666 WeakPolarHBondContact CE1-OE1 3.39Å; E662-E666 VanDerWaalsContact O-CB 3.25Å; E662-E666 WeakPolarHBondContact O-CB 3.48Å; E662-E666 WeakPolarHBondContact O-CG 3.25Å; E662-E666 PolarHBondContact O-N 2.98Å
667	T	93.8	Very high	92.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-100.7	-21.1	-179.3	66.5	0	0	0	0	112.8	E521 A522 I647 K651 L663 I669	E521-T667 WeakPolarHBondContact CA-O 3.42Å; A522-T667 PolarHBondContact N-O 2.9Å; I647-T667 HydrophobicContact CG2-CG2 3.77Å; K651-T667 HydrophobicContact CG-CG2 4.11Å; L663-T667 VanDerWaalsContact O-CB 3.26Å; L663-T667 WeakPolarHBondContact O-CB 3.43Å; L663-T667 VanDerWaalsContact O-CG2 3.25Å; L663-T667 WeakPolarHBondContact O-CG2 3.5Å; L663-T667 PolarHBondContact O-N 2.92Å; L663-T667 PolarHBondContact O-OG1 3.17Å; T667-I669 HydrophobicContact CG2-CD1 4.36Å; T667-I669 PolarHBondContact O-N 3.17Å; T667-I669 WeakPolarHBondContact OG1-CG1 3.45Å; T667-I669 PolarHBondContact OG1-N 3.15Å
668	N	92.4	Very high	92.7	Very high	95 Å²	95	48.1 Å²	48.1	51%	0.508	24%	0.242	S	C	.	.			trans	54.3	24.1	-170.7	-69.7	-27.6	0	0	0	113.8	N520 A664 S665	N520-N668 VanDerWaalsContact O-CB 3.3Å; N520-N668 WeakPolarHBondContact O-CB 3.18Å; N520-N668 PolarHBondContact O-ND2 2.86Å; A664-N668 WeakPolarHBondContact O-CA 3.21Å; A664-N668 PolarHBondContact O-N 3.27Å; A664-N668 VanDerWaalsContact O-N 3.08Å; S665-N668 PolarHBondContact O-OD1 3.21Å
669	I	91.5	Very high	92.5	Very high	6 Å²	6	50 Å²	50	3%	0.031	25%	0.252	C	S	.	.			trans	-75.8	134.2	175.4	-64.2	168.2	0	0	0	108.6	E521 Y644 I647 I648 T667 E671 E673 L674	E521-I669 HydrophobicContact CG-CG1 4.23Å; Y644-I669 HydrophobicContact CD1-CD1 4.11Å; Y644-I669 HydrophobicContact CD1-CG1 3.94Å; Y644-I669 HydrophobicContact CD1-CG2 4.21Å; Y644-I669 HydrophobicContact CD2-CG2 4.27Å; Y644-I669 HydrophobicContact CE1-CG1 4.4Å; Y644-I669 HydrophobicContact CE1-CG2 4.46Å; Y644-I669 HydrophobicContact CE2-CG2 4.5Å; Y644-I669 HydrophobicContact CG-CD1 4.3Å; Y644-I669 HydrophobicContact CG-CG1 4.44Å; Y644-I669 HydrophobicContact CG-CG2 4.11Å; I647-I669 HydrophobicContact CB-CD1 4.22Å; I647-I669 HydrophobicContact CG2-CD1 4.06Å; I648-I669 HydrophobicContact CD1-CD1 4.15Å; I648-I669 HydrophobicContact CG1-CD1 3.84Å; T667-I669 HydrophobicContact CG2-CD1 4.36Å; T667-I669 PolarHBondContact O-N 3.17Å; T667-I669 WeakPolarHBondContact OG1-CG1 3.45Å; T667-I669 PolarHBondContact OG1-N 3.15Å; I669-E671 PolarHBondContact O-N 3.07Å; I669-E673 HydrophobicContact CG2-CB 4.1Å; I669-L674 HydrophobicContact CB-CB 4.28Å; I669-L674 HydrophobicContact CG2-CB 3.89Å
670	P	88.9	Confident	92.2	Very high	68 Å²	68	49.1 Å²	49.1	44%	0.442	25%	0.246	S	C	.	.			trans	-54.1	133.7	174.5	-26.4	34.6	0	0	0	111.9	R672 E673 L674	P670-R672 VanDerWaalsContact C-N 3.25Å; P670-R672 PolarHBondContact O-N 3.02Å; P670-R672 VanDerWaalsContact O-N 3.07Å; P670-E673 WeakPolarHBondContact O-CA 3.45Å; P670-E673 PolarHBondContact O-N 2.86Å; P670-L674 PolarHBondContact O-N 2.84Å
671	E	90	Very high	92.1	Very high	134 Å²	134	48.8 Å²	48.8	63%	0.626	24%	0.244	S	C	*	.	H	α-helix	trans	-50.8	-42.5	-169.9	-166.9	-179.2	167.2	0	0	113.6	F660 I669 E673 L674 K675	F660-E671 HydrophobicContact CE1-CG 3.71Å; F660-E671 HydrophobicContact CZ-CG 3.6Å; I669-E671 PolarHBondContact O-N 3.07Å; E671-E673 VanDerWaalsContact C-N 3.35Å; E671-E673 PolarHBondContact O-N 2.88Å; E671-L674 PolarHBondContact O-N 3.23Å; E671-K675 WeakPolarHBondContact O-CB 3.43Å; E671-K675 PolarHBondContact O-N 3.4Å
672	R	86.1	Confident	92	Very high	143 Å²	143	44.5 Å²	44.5	54%	0.54	22%	0.223	S	C	.	.	H	α-helix	trans	-58.6	-43.8	176.3	-177.1	-179.4	179.6	-178.4	0	112.6	P670 R676	P670-R672 VanDerWaalsContact C-N 3.25Å; P670-R672 PolarHBondContact O-N 3.02Å; P670-R672 VanDerWaalsContact O-N 3.07Å; R672-R676 WeakPolarHBondContact O-CG 3.39Å; R672-R676 PolarHBondContact O-N 3.46Å
673	E	87	Confident	91.6	Very high	56 Å²	56	44.4 Å²	44.4	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-79.5	-31.7	-178.3	-65.7	-55.7	133.8	0	0	111.7	Y644 I669 P670 E671 R676 S677	Y644-E673 HydrophobicContact CD2-CB 3.9Å; Y644-E673 HydrophobicContact CE2-CB 3.73Å; Y644-E673 HydrophobicContact CE2-CG 4.02Å; I669-E673 HydrophobicContact CG2-CB 4.1Å; P670-E673 WeakPolarHBondContact O-CA 3.45Å; P670-E673 PolarHBondContact O-N 2.86Å; E671-E673 VanDerWaalsContact C-N 3.35Å; E671-E673 PolarHBondContact O-N 2.88Å; E673-R676 PolarHBondContact O-N 2.77Å; E673-R676 IonicContact OE1-CZ 3.86Å; E673-R676 IonicContact OE1-NH1 3.29Å; E673-R676 PolarHBondContact OE1-NH1 3.4Å; E673-S677 VanDerWaalsContact O-CB 3.3Å; E673-S677 WeakPolarHBondContact O-CB 3.33Å; E673-S677 PolarHBondContact O-N 2.87Å; E673-S677 PolarHBondContact O-OG 3.36Å
674	L	92.4	Very high	91	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-49.9	170.9	178.8	59.7	0	0	0	110.8	I648 F660 L663 A664 I669 P670 E671 R676 S677 L678	I648-L674 HydrophobicContact CD1-CD1 3.6Å; I648-L674 HydrophobicContact CG1-CD1 3.91Å; F660-L674 HydrophobicContact CD2-CD2 4.2Å; F660-L674 HydrophobicContact CD2-CG 4.35Å; F660-L674 HydrophobicContact CE1-CD2 4.38Å; F660-L674 HydrophobicContact CE2-CB 4.36Å; F660-L674 HydrophobicContact CE2-CD2 3.78Å; F660-L674 HydrophobicContact CE2-CG 3.75Å; F660-L674 HydrophobicContact CZ-CB 4.49Å; F660-L674 HydrophobicContact CZ-CD2 3.89Å; F660-L674 HydrophobicContact CZ-CG 4.19Å; L663-L674 HydrophobicContact CB-CD1 4.32Å; L663-L674 HydrophobicContact CB-CD2 4.26Å; A664-L674 HydrophobicContact CB-CD2 3.65Å; I669-L674 HydrophobicContact CB-CB 4.28Å; I669-L674 HydrophobicContact CG2-CB 3.89Å; P670-L674 PolarHBondContact O-N 2.84Å; E671-L674 PolarHBondContact O-N 3.23Å; L674-R676 VanDerWaalsContact C-N 3.35Å; L674-R676 PolarHBondContact O-N 2.86Å; L674-S677 PolarHBondContact O-N 2.91Å; L674-L678 HydrophobicContact CD1-CD1 3.83Å; L674-L678 HydrophobicContact CD1-CG 4.09Å; L674-L678 HydrophobicContact CG-CD1 3.9Å; L674-L678 WeakPolarHBondContact O-CB 3.48Å; L674-L678 WeakPolarHBondContact O-CG 3.36Å; L674-L678 PolarHBondContact O-N 2.83Å
675	K	91.9	Very high	90.4	Very high	64 Å²	64	52.2 Å²	52.2	28%	0.278	26%	0.255	S	S	.	.	H	α-helix	trans	-57	-46.9	177	-173.9	160.5	179.2	160	0	111.4	F660 E671 S677 L678 M679 I700	F660-K675 HydrophobicContact CE2-CB 4.2Å; F660-K675 HydrophobicContact CZ-CB 4.46Å; E671-K675 WeakPolarHBondContact O-CB 3.43Å; E671-K675 PolarHBondContact O-N 3.4Å; K675-S677 PolarHBondContact O-N 2.88Å; K675-L678 PolarHBondContact O-N 3.29Å; K675-M679 HydrophobicContact CD-CE 4.39Å; K675-M679 HydrophobicContact CG-CE 3.98Å; K675-M679 HydrophobicContact CG-SD 4.41Å; K675-M679 WeakPolarHBondContact O-CB 3.47Å; K675-M679 VanDerWaalsContact O-CG 3.28Å; K675-M679 WeakPolarHBondContact O-CG 3.48Å; K675-M679 PolarHBondContact O-N 2.92Å; K675-I700 HydrophobicContact CD-CB 4.33Å; K675-I700 WeakPolarHBondContact CE-O 3.47Å; K675-I700 HydrophobicContact CG-CB 4.08Å; K675-I700 HydrophobicContact CG-CD1 4.36Å; K675-I700 PolarHBondContact NZ-O 2.81Å
676	R	88.5	Confident	89.9	Confident	74 Å²	74	52.9 Å²	52.9	28%	0.279	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-43.9	175.6	-77.3	172.8	168	-178.6	-10.5	113	R672 E673 L674 M679 A680	R672-R676 WeakPolarHBondContact O-CG 3.39Å; R672-R676 PolarHBondContact O-N 3.46Å; E673-R676 PolarHBondContact O-N 2.77Å; E673-R676 IonicContact OE1-CZ 3.86Å; E673-R676 IonicContact OE1-NH1 3.29Å; E673-R676 PolarHBondContact OE1-NH1 3.4Å; L674-R676 VanDerWaalsContact C-N 3.35Å; L674-R676 PolarHBondContact O-N 2.86Å; R676-M679 PolarHBondContact O-N 2.91Å; R676-A680 PolarHBondContact O-N 2.99Å; R676-A680 VanDerWaalsContact O-N 3.13Å
677	S	91.8	Very high	89.4	Confident	7 Å²	7	52.4 Å²	52.4	5%	0.049	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-42.1	-179.6	-61.5	0	0	0	0	111.2	E673 L674 K675 A680 L681	E673-S677 VanDerWaalsContact O-CB 3.3Å; E673-S677 WeakPolarHBondContact O-CB 3.33Å; E673-S677 PolarHBondContact O-N 2.87Å; E673-S677 PolarHBondContact O-OG 3.36Å; L674-S677 PolarHBondContact O-N 2.91Å; K675-S677 PolarHBondContact O-N 2.88Å; S677-A680 PolarHBondContact O-N 3.25Å; S677-L681 VanDerWaalsContact O-CG 3.32Å; S677-L681 WeakPolarHBondContact O-CG 3.17Å; S677-L681 PolarHBondContact O-N 3.39Å; S677-L681 VanDerWaalsContact O-N 3.09Å
678	L	94.6	Very high	89.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-38.5	176.2	-72.8	170.7	0	0	0	112.7	I648 F660 L663 L674 K675 A680 L681 A682 L691 I700 F706	I648-L678 HydrophobicContact CD1-CG 4.46Å; I648-L678 HydrophobicContact CG2-CD2 3.99Å; F660-L678 HydrophobicContact CD2-CD1 3.62Å; F660-L678 HydrophobicContact CE2-CD1 3.98Å; L663-L678 HydrophobicContact CD1-CD1 4.03Å; L663-L678 HydrophobicContact CD1-CD2 3.85Å; L674-L678 HydrophobicContact CD1-CD1 3.83Å; L674-L678 HydrophobicContact CD1-CG 4.09Å; L674-L678 HydrophobicContact CG-CD1 3.9Å; L674-L678 WeakPolarHBondContact O-CB 3.48Å; L674-L678 WeakPolarHBondContact O-CG 3.36Å; L674-L678 PolarHBondContact O-N 2.83Å; K675-L678 PolarHBondContact O-N 3.29Å; L678-A680 VanDerWaalsContact C-N 3.28Å; L678-A680 PolarHBondContact O-N 3.42Å; L678-L681 PolarHBondContact O-N 2.96Å; L678-A682 WeakPolarHBondContact O-CB 3.3Å; L678-A682 PolarHBondContact O-N 3.29Å; L678-L691 HydrophobicContact CD2-CD1 4.01Å; L678-I700 HydrophobicContact CB-CD1 3.56Å; L678-F706 HydrophobicContact CB-CE1 4.06Å; L678-F706 HydrophobicContact CB-CZ 4.21Å; L678-F706 HydrophobicContact CD1-CD2 4.28Å; L678-F706 HydrophobicContact CD1-CE1 4.34Å; L678-F706 HydrophobicContact CD1-CE2 3.84Å; L678-F706 HydrophobicContact CD1-CZ 3.88Å; L678-F706 HydrophobicContact CD2-CD1 3.96Å; L678-F706 HydrophobicContact CD2-CD2 4.42Å; L678-F706 HydrophobicContact CD2-CE1 4.12Å; L678-F706 HydrophobicContact CD2-CG 4.11Å; L678-F706 HydrophobicContact CD2-CZ 4.45Å; L678-F706 HydrophobicContact CG-CE1 4.42Å; L678-F706 HydrophobicContact CG-CZ 4.42Å
679	M	91.7	Very high	89.1	Confident	46 Å²	46	53.7 Å²	53.7	23%	0.227	26%	0.262	C	S	.	.	I	π-helix	trans	-58.1	-43.5	172.9	-76.3	176.6	169.6	0	0	111.1	K675 R676 L681 L683 G684 I700 I724	K675-M679 HydrophobicContact CD-CE 4.39Å; K675-M679 HydrophobicContact CG-CE 3.98Å; K675-M679 HydrophobicContact CG-SD 4.41Å; K675-M679 WeakPolarHBondContact O-CB 3.47Å; K675-M679 VanDerWaalsContact O-CG 3.28Å; K675-M679 WeakPolarHBondContact O-CG 3.48Å; K675-M679 PolarHBondContact O-N 2.92Å; R676-M679 PolarHBondContact O-N 2.91Å; M679-L681 PolarHBondContact O-N 3Å; M679-L683 HydrophobicContact CG-CD1 4.08Å; M679-L683 CarbonylContact O-C 3.5Å; M679-L683 WeakPolarHBondContact O-CA 3.47Å; M679-L683 WeakPolarHBondContact O-CB 3.37Å; M679-L683 PolarHBondContact O-N 3.1Å; M679-G684 PolarHBondContact O-N 2.96Å; M679-I700 HydrophobicContact CB-CD1 4.4Å; M679-I700 HydrophobicContact CG-CD1 3.6Å; M679-I700 HydrophobicContact CG-CG1 4.17Å; M679-I724 HydrophobicContact CB-CD1 3.43Å; M679-I724 VanDerWaalsContact CB-CD1 3.43Å
680	A	90.1	Very high	89.2	Confident	3 Å²	3	53.6 Å²	53.6	3%	0.025	26%	0.261	C	S	.	.	I	π-helix	trans	-63.6	-40.9	176.6	0	0	0	0	0	112.5	R676 S677 L678 V721 I724	R676-A680 PolarHBondContact O-N 2.99Å; R676-A680 VanDerWaalsContact O-N 3.13Å; S677-A680 PolarHBondContact O-N 3.25Å; L678-A680 VanDerWaalsContact C-N 3.28Å; L678-A680 PolarHBondContact O-N 3.42Å; A680-V721 HydrophobicContact CB-CG1 4.39Å; A680-I724 HydrophobicContact CB-CD1 4.45Å; A680-I724 HydrophobicContact CB-CG1 4.18Å
681	L	94.2	Very high	89.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-78.6	-32.5	-176.1	-70.3	169.4	0	0	0	114.1	Q645 I648 L649 S677 L678 M679 R689 I690 L691 V721	Q645-L681 HydrophobicContact CB-CD1 4.14Å; Q645-L681 HydrophobicContact CB-CD2 4.42Å; Q645-L681 HydrophobicContact CG-CD1 4Å; Q645-L681 HydrophobicContact CG-CD2 4.34Å; Q645-L681 HydrophobicContact CG-CG 4.08Å; I648-L681 HydrophobicContact CB-CD1 4.44Å; I648-L681 HydrophobicContact CD1-CD1 4.5Å; I648-L681 HydrophobicContact CG2-CD1 4.14Å; L649-L681 HydrophobicContact CD1-CD2 4.02Å; L649-L681 HydrophobicContact CD2-CD1 4.39Å; L649-L681 HydrophobicContact CD2-CD2 4.22Å; L649-L681 HydrophobicContact CG-CD1 4.29Å; L649-L681 HydrophobicContact CG-CD2 4.26Å; S677-L681 VanDerWaalsContact O-CG 3.32Å; S677-L681 WeakPolarHBondContact O-CG 3.17Å; S677-L681 PolarHBondContact O-N 3.39Å; S677-L681 VanDerWaalsContact O-N 3.09Å; L678-L681 PolarHBondContact O-N 2.96Å; M679-L681 PolarHBondContact O-N 3Å; L681-R689 CarbonylContact O-C 3.54Å; L681-R689 WeakPolarHBondContact O-CA 3.24Å; L681-I690 HydrophobicContact CD2-CB 4.26Å; L681-I690 HydrophobicContact CD2-CG1 4.34Å; L681-I690 PolarHBondContact O-N 3.45Å; L681-L691 HydrophobicContact CB-CB 4.43Å; L681-L691 HydrophobicContact CB-CD1 3.93Å; L681-L691 HydrophobicContact CB-CG 4.14Å; L681-L691 HydrophobicContact CD1-CD1 4.04Å; L681-L691 PolarHBondContact O-N 3.45Å; L681-V721 HydrophobicContact CD2-CG1 4.03Å
682	A	93.5	Very high	89.8	Confident	8 Å²	8	45.3 Å²	45.3	7%	0.066	22%	0.22	C	C	.	.	I	π-helix	trans	-112.6	-33.2	-171.6	0	0	0	0	0	114.2	L678 L691 K693 F706	L678-A682 WeakPolarHBondContact O-CB 3.3Å; L678-A682 PolarHBondContact O-N 3.29Å; A682-L691 WeakPolarHBondContact CA-O 3.43Å; A682-L691 HydrophobicContact CB-CB 4.05Å; A682-K693 HydrophobicContact CB-CB 4.33Å; A682-F706 HydrophobicContact CB-CD1 4.06Å; A682-F706 HydrophobicContact CB-CE1 4.03Å
683	L	88.6	Confident	90.2	Very high	54 Å²	54	39 Å²	39	28%	0.283	20%	0.196	S	C	.	.	I	π-helix	trans	-112.6	-2.4	-171.5	-61.3	166.2	0	0	0	112.8	M679 K693 T697 R698 I700	M679-L683 HydrophobicContact CG-CD1 4.08Å; M679-L683 CarbonylContact O-C 3.5Å; M679-L683 WeakPolarHBondContact O-CA 3.47Å; M679-L683 WeakPolarHBondContact O-CB 3.37Å; M679-L683 PolarHBondContact O-N 3.1Å; L683-K693 HydrophobicContact CD1-CD 4.33Å; L683-T697 WeakPolarHBondContact CD2-O 3.23Å; L683-R698 WeakPolarHBondContact CD1-O 3.29Å; L683-I700 HydrophobicContact CD1-CD1 4.18Å; L683-I700 HydrophobicContact CD1-CG1 3.86Å
684	G	81.6	Confident	90.6	Very high	24 Å²	24	40.8 Å²	40.8	25%	0.247	20%	0.204	C	C	.	.	S	Bend	trans	-67.4	-161.3	179.1	0	0	0	0	0	114.5	M679 R689	M679-G684 PolarHBondContact O-N 2.96Å; G684-R689 PolarHBondContact O-NE 2.95Å; G684-R689 PolarHBondContact O-NH2 3.44Å
685	R	83.4	Confident	90.6	Very high	168 Å²	168	44.2 Å²	44.2	63%	0.634	23%	0.226	S	C	*	.			trans	-61.9	142.9	176.5	-64.2	-178.3	-178.2	-178	0.9	110	S687 Q688 R689	R685-S687 PolarHBondContact O-N 3.07Å; R685-Q688 CarbonylContact O-C 3.46Å; R685-Q688 WeakPolarHBondContact O-CA 3.42Å; R685-Q688 PolarHBondContact O-N 2.93Å; R685-R689 WeakPolarHBondContact O-CG 3.39Å; R685-R689 PolarHBondContact O-N 3.05Å
686	C	81.9	Confident	90.6	Very high	91 Å²	91	50.1 Å²	50.1	62%	0.615	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-53.1	-34.3	-178.4	-60.8	0	0	0	0	113.4	Q688 R689	C686-Q688 PolarHBondContact O-N 2.9Å; C686-R689 PolarHBondContact O-N 2.73Å
687	S	84	Confident	90.7	Very high	59 Å²	59	49.8 Å²	49.8	41%	0.413	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-72.4	-0.3	175.2	57	0	0	0	0	115.3	R685 F712	R685-S687 PolarHBondContact O-N 3.07Å; S687-F712 WeakPolarHBondContact O-CE2 3.24Å; S687-F712 WeakPolarHBondContact O-CZ 3.39Å
688	Q	88.6	Confident	90.4	Very high	24 Å²	24	58.4 Å²	58.4	11%	0.112	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-131.2	2.7	-179.6	-66.6	171.2	-20.3	0	0	112.4	R685 C686 I690 V719 R720	R685-Q688 CarbonylContact O-C 3.46Å; R685-Q688 WeakPolarHBondContact O-CA 3.42Å; R685-Q688 PolarHBondContact O-N 2.93Å; C686-Q688 PolarHBondContact O-N 2.9Å; Q688-I690 VanDerWaalsContact C-N 3.31Å; Q688-I690 PolarHBondContact O-N 2.84Å; Q688-V719 HydrophobicContact CG-CG1 4.36Å; Q688-R720 PolarHBondContact NE2-O 2.74Å
689	R	90.9	Very high	90.1	Very high	99 Å²	99	62.9 Å²	62.9	37%	0.374	31%	0.314	S	S	.	.			trans	-76.8	80.7	179.1	-72.1	-177.7	-168.6	172.2	-0.6	110.8	L681 G684 R685 C686 L691 N709 F712	L681-R689 CarbonylContact O-C 3.54Å; L681-R689 WeakPolarHBondContact O-CA 3.24Å; G684-R689 PolarHBondContact O-NE 2.95Å; G684-R689 PolarHBondContact O-NH2 3.44Å; R685-R689 WeakPolarHBondContact O-CG 3.39Å; R685-R689 PolarHBondContact O-N 3.05Å; C686-R689 PolarHBondContact O-N 2.73Å; R689-L691 VanDerWaalsContact C-N 3.33Å; R689-N709 WeakPolarHBondContact O-CB 3.33Å; R689-N709 PolarHBondContact O-ND2 3.19Å; R689-F712 WeakPolarHBondContact O-CD2 3.31Å
690	I	94.6	Very high	90	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	30%	0.304	C	S	.	.			trans	-71.7	-31.7	177.8	-54.2	-52.7	0	0	0	111.2	F562 L639 L649 L681 Q688 N709 F712 V721	F562-I690 HydrophobicContact CE1-CG2 4.38Å; F562-I690 HydrophobicContact CZ-CD1 4.25Å; F562-I690 HydrophobicContact CZ-CG2 4.08Å; L639-I690 HydrophobicContact CD1-CD1 4.1Å; L639-I690 HydrophobicContact CD1-CG1 4.21Å; L639-I690 HydrophobicContact CD1-CG2 4.14Å; L639-I690 HydrophobicContact CD2-CD1 3.83Å; L649-I690 HydrophobicContact CD2-CB 4.43Å; L649-I690 HydrophobicContact CD2-CG2 3.61Å; L681-I690 HydrophobicContact CD2-CB 4.26Å; L681-I690 HydrophobicContact CD2-CG1 4.34Å; L681-I690 PolarHBondContact O-N 3.45Å; Q688-I690 VanDerWaalsContact C-N 3.31Å; Q688-I690 PolarHBondContact O-N 2.84Å; I690-N709 WeakPolarHBondContact O-CB 3.47Å; I690-N709 PolarHBondContact O-N 3.29Å; I690-F712 HydrophobicContact CD1-CD1 4.22Å; I690-F712 HydrophobicContact CD1-CD2 4.09Å; I690-F712 HydrophobicContact CD1-CE1 3.88Å; I690-F712 HydrophobicContact CD1-CE2 3.74Å; I690-F712 HydrophobicContact CD1-CG 4.32Å; I690-F712 HydrophobicContact CD1-CZ 3.63Å; I690-V721 HydrophobicContact CG1-CG2 4.1Å
691	L	95.6	Very high	90.2	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	157.6	177.7	-60.9	179.2	0	0	0	111	I648 L649 F652 L678 L681 A682 R689 Y707 V708	I648-L691 HydrophobicContact CG2-CD1 4.27Å; L649-L691 HydrophobicContact CD2-CD2 4.14Å; L649-L691 HydrophobicContact CD2-CG 4.26Å; F652-L691 HydrophobicContact CD2-CD2 4Å; F652-L691 HydrophobicContact CE1-CD2 4.39Å; F652-L691 HydrophobicContact CE2-CD1 3.88Å; F652-L691 HydrophobicContact CE2-CD2 3.75Å; F652-L691 HydrophobicContact CG-CD2 4.41Å; F652-L691 HydrophobicContact CZ-CD1 4.23Å; F652-L691 HydrophobicContact CZ-CD2 3.96Å; L678-L691 HydrophobicContact CD2-CD1 4.01Å; L681-L691 HydrophobicContact CB-CB 4.43Å; L681-L691 HydrophobicContact CB-CD1 3.93Å; L681-L691 HydrophobicContact CB-CG 4.14Å; L681-L691 HydrophobicContact CD1-CD1 4.04Å; L681-L691 PolarHBondContact O-N 3.45Å; A682-L691 WeakPolarHBondContact CA-O 3.43Å; A682-L691 HydrophobicContact CB-CB 4.05Å; R689-L691 VanDerWaalsContact C-N 3.33Å; L691-Y707 CarbonylContact C-O 3.44Å; L691-Y707 WeakPolarHBondContact CA-O 3.28Å; L691-V708 HydrophobicContact CD2-CG2 4.38Å
692	C	94.7	Very high	90	Very high	27 Å²	27	68.3 Å²	68.3	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	152.6	164.9	-67.2	0	0	0	0	109.3	F706 Y707	C692-F706 VanDerWaalsContact O-CA 3.27Å; C692-F706 WeakPolarHBondContact O-CA 3.2Å; C692-Y707 HydrophobicContact CB-CD1 4.05Å; C692-Y707 HydrophobicContact CB-CD2 3.91Å; C692-Y707 HydrophobicContact CB-CE1 3.6Å; C692-Y707 HydrophobicContact CB-CE2 3.45Å; C692-Y707 VanDerWaalsContact CB-CE2 3.45Å; C692-Y707 HydrophobicContact CB-CG 4.19Å; C692-Y707 PolarHBondContact N-O 3.4Å; C692-Y707 PolarHBondContact O-N 3.13Å; C692-Y707 VanDerWaalsContact O-N 3.13Å
693	K	95.8	Very high	90	Very high	9 Å²	9	73 Å²	73	4%	0.039	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.2	175.5	-171	179	88.9	74.6	0	110.2	A682 L683 P695 T697 D699 I700 D704 V705 F706	A682-K693 HydrophobicContact CB-CB 4.33Å; L683-K693 HydrophobicContact CD1-CD 4.33Å; K693-P695 WeakPolarHBondContact CE-O 3.11Å; K693-P695 PolarHBondContact NZ-O 3.43Å; K693-T697 WeakPolarHBondContact CE-O 3.37Å; K693-T697 PolarHBondContact NZ-OG1 3.3Å; K693-D699 WeakPolarHBondContact CE-O 3.3Å; K693-D699 PolarHBondContact NZ-O 2.9Å; K693-I700 HydrophobicContact CD-CG1 4.03Å; K693-D704 HydrophobicContact CD-CB 4.33Å; K693-D704 WeakPolarHBondContact CD-OD2 3.46Å; K693-D704 HydrophobicContact CG-CB 4.21Å; K693-D704 IonicContact NZ-OD1 2.91Å; K693-D704 IonicContact NZ-OD2 2.77Å; K693-D704 PolarHBondContact NZ-OD2 3.02Å; K693-V705 CarbonylContact C-O 3.53Å; K693-V705 WeakPolarHBondContact CA-O 3.29Å; K693-F706 HydrophobicContact CB-CD1 4.14Å; K693-F706 HydrophobicContact CB-CE1 3.9Å; K693-F706 HydrophobicContact CD-CE1 3.75Å; K693-F706 HydrophobicContact CD-CZ 3.8Å; K693-F706 HydrophobicContact CG-CD1 4.18Å; K693-F706 HydrophobicContact CG-CE1 3.63Å; K693-F706 HydrophobicContact CG-CZ 3.87Å
694	E	94.7	Very high	90.4	Very high	95 Å²	95	70.6 Å²	70.6	44%	0.444	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.8	174	-172.6	168.7	-168.1	0	0	109.9	R657 V705 Y707	R657-E694 IonicContact CZ-OE2 3.52Å; R657-E694 IonicContact NH2-OE2 2.63Å; R657-E694 PolarHBondContact NH2-OE2 3Å; E694-V705 PolarHBondContact N-O 3.08Å; E694-V705 PolarHBondContact O-N 3.31Å; E694-Y707 HydrophobicContact CB-CE1 4.42Å
695	P	93.1	Very high	91.1	Very high	71 Å²	71	71.3 Å²	71.3	46%	0.461	36%	0.359	S	S	.	.	S	Bend	cis	-69.6	158.3	-3	30.1	-36.2	0	0	0	113.2	K693 T697 D704	K693-P695 WeakPolarHBondContact CE-O 3.11Å; K693-P695 PolarHBondContact NZ-O 3.43Å; P695-T697 HydrophobicContact CB-CG2 4.39Å; P695-T697 HydrophobicContact CG-CG2 4.3Å; P695-T697 PolarHBondContact O-N 2.95Å; P695-D704 WeakPolarHBondContact CD-OD1 3.41Å
696	K	90	Very high	91.8	Very high	189 Å²	189	63.3 Å²	63.3	82%	0.822	33%	0.329	S	S	*	.			trans	-77	61.7	-179.3	-66.9	-179.5	-178.5	172.9	0	112.6
697	T	91.4	Very high	92.5	Very high	67 Å²	67	62 Å²	62	41%	0.411	31%	0.312	S	S	.	.			trans	-101	165.7	175.1	59.7	0	0	0	0	111.6	L683 K693 P695 D699	L683-T697 WeakPolarHBondContact CD2-O 3.23Å; K693-T697 WeakPolarHBondContact CE-O 3.37Å; K693-T697 PolarHBondContact NZ-OG1 3.3Å; P695-T697 HydrophobicContact CB-CG2 4.39Å; P695-T697 HydrophobicContact CG-CG2 4.3Å; P695-T697 PolarHBondContact O-N 2.95Å; T697-D699 PolarHBondContact OG1-O 3.2Å
698	R	85.5	Confident	93	Very high	188 Å²	188	61.1 Å²	61.1	71%	0.709	30%	0.303	S	S	*	.	S	Bend	trans	-74.6	-31.4	179.3	-72.8	-172.3	177.2	-174.5	1.1	113.1	L683	L683-R698 WeakPolarHBondContact CD1-O 3.29Å
699	D	87.6	Confident	93.2	Very high	94 Å²	94	61.4 Å²	61.4	50%	0.503	31%	0.306	S	S	.	.	S	Bend	trans	-94.1	158.4	179.6	-62.5	-61	0	0	0	111.3	K693 T697	K693-D699 WeakPolarHBondContact CE-O 3.3Å; K693-D699 PolarHBondContact NZ-O 2.9Å; T697-D699 PolarHBondContact OG1-O 3.2Å
700	I	91.2	Very high	93.1	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	30%	0.304	C	S	.	.			trans	-107.1	118.8	175.2	-61.3	-178.7	0	0	0	108.5	F660 K675 L678 M679 L683 K693 D704 F706	F660-I700 HydrophobicContact CD2-CG2 3.56Å; F660-I700 HydrophobicContact CE2-CG2 3.95Å; F660-I700 HydrophobicContact CG-CG2 4.29Å; K675-I700 HydrophobicContact CD-CB 4.33Å; K675-I700 WeakPolarHBondContact CE-O 3.47Å; K675-I700 HydrophobicContact CG-CB 4.08Å; K675-I700 HydrophobicContact CG-CD1 4.36Å; K675-I700 PolarHBondContact NZ-O 2.81Å; L678-I700 HydrophobicContact CB-CD1 3.56Å; M679-I700 HydrophobicContact CB-CD1 4.4Å; M679-I700 HydrophobicContact CG-CD1 3.6Å; M679-I700 HydrophobicContact CG-CG1 4.17Å; L683-I700 HydrophobicContact CD1-CD1 4.18Å; L683-I700 HydrophobicContact CD1-CG1 3.86Å; K693-I700 HydrophobicContact CD-CG1 4.03Å; I700-D704 VanDerWaalsContact CA-OD2 3.27Å; I700-D704 WeakPolarHBondContact CA-OD2 3.39Å; I700-F706 HydrophobicContact CD1-CE1 4.27Å; I700-F706 HydrophobicContact CD1-CZ 3.97Å; I700-F706 HydrophobicContact CG1-CZ 4.19Å; I700-F706 HydrophobicContact CG2-CE2 4.31Å; I700-F706 HydrophobicContact CG2-CZ 3.82Å
701	E	92.8	Very high	92.7	Very high	103 Å²	103	61.8 Å²	61.8	48%	0.481	32%	0.319	S	S	.	.			trans	-103.2	162.2	173.8	-62.8	-54.9	142.3	0	0	111.4	T703 D704	E701-T703 PolarHBondContact O-N 3.38Å; E701-D704 PolarHBondContact N-OD2 2.89Å; E701-D704 WeakPolarHBondContact O-CB 3.42Å; E701-D704 PolarHBondContact O-N 3.22Å; E701-D704 VanDerWaalsContact O-N 3.14Å
702	S	91	Very high	92.5	Very high	55 Å²	55	61.9 Å²	61.9	39%	0.385	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.5	-176.4	58.3	0	0	0	0	113.7	I661	I661-S702 WeakPolarHBondContact CD1-O 3.44Å; I661-S702 WeakPolarHBondContact CG1-O 3.42Å; I661-S702 PolarHBondContact N-O 2.95Å
703	T	92.8	Very high	92.1	Very high	106 Å²	106	64.9 Å²	64.9	65%	0.65	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.4	178.2	55.9	0	0	0	0	114	E701	E701-T703 PolarHBondContact O-N 3.38Å
704	D	96.9	Very high	91.8	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.021	34%	0.341	C	S	.	.			trans	-66.5	139.4	-176.1	-72.9	-12.3	0	0	0	111.7	S659 F660 K693 P695 I700 E701 F706	S659-D704 CarbonylContact C-O 3.35Å; S659-D704 VanDerWaalsContact CA-O 3.23Å; S659-D704 WeakPolarHBondContact CA-O 3.4Å; F660-D704 PolarHBondContact N-O 3Å; K693-D704 HydrophobicContact CD-CB 4.33Å; K693-D704 WeakPolarHBondContact CD-OD2 3.46Å; K693-D704 HydrophobicContact CG-CB 4.21Å; K693-D704 IonicContact NZ-OD1 2.91Å; K693-D704 IonicContact NZ-OD2 2.77Å; K693-D704 PolarHBondContact NZ-OD2 3.02Å; P695-D704 WeakPolarHBondContact CD-OD1 3.41Å; I700-D704 VanDerWaalsContact CA-OD2 3.27Å; I700-D704 WeakPolarHBondContact CA-OD2 3.39Å; E701-D704 PolarHBondContact N-OD2 2.89Å; E701-D704 WeakPolarHBondContact O-CB 3.42Å; E701-D704 PolarHBondContact O-N 3.22Å; E701-D704 VanDerWaalsContact O-N 3.14Å; D704-F706 HydrophobicContact CB-CE2 3.95Å; D704-F706 HydrophobicContact CB-CZ 4.22Å
705	V	97.3	Very high	91.5	Very high	39 Å²	39	70.7 Å²	70.7	24%	0.236	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134	-179.4	-179.4	0	0	0	0	110.6	R657 Y658 K693 E694	R657-V705 HydrophobicContact CB-CG1 4.25Å; Y658-V705 CarbonylContact O-C 3.47Å; Y658-V705 WeakPolarHBondContact O-CA 3.47Å; K693-V705 CarbonylContact C-O 3.53Å; K693-V705 WeakPolarHBondContact CA-O 3.29Å; E694-V705 PolarHBondContact N-O 3.08Å; E694-V705 PolarHBondContact O-N 3.31Å
706	F	97.7	Very high	91.2	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.1	179.7	-60.7	-91.3	0	0	0	110.8	F652 R657 Y658 F660 L663 L678 A682 C692 K693 I700 D704	F652-F706 WeakPolarHBondContact CE1-O 3.42Å; F652-F706 HydrophobicContact CZ-CB 4.05Å; R657-F706 WeakPolarHBondContact CA-O 3.19Å; Y658-F706 PolarHBondContact N-O 2.93Å; Y658-F706 PolarHBondContact O-N 3.4Å; F660-F706 HydrophobicContact CB-CE2 4.21Å; L663-F706 HydrophobicContact CD1-CD2 4.22Å; L678-F706 HydrophobicContact CB-CE1 4.06Å; L678-F706 HydrophobicContact CB-CZ 4.21Å; L678-F706 HydrophobicContact CD1-CD2 4.28Å; L678-F706 HydrophobicContact CD1-CE1 4.34Å; L678-F706 HydrophobicContact CD1-CE2 3.84Å; L678-F706 HydrophobicContact CD1-CZ 3.88Å; L678-F706 HydrophobicContact CD2-CD1 3.96Å; L678-F706 HydrophobicContact CD2-CD2 4.42Å; L678-F706 HydrophobicContact CD2-CE1 4.12Å; L678-F706 HydrophobicContact CD2-CG 4.11Å; L678-F706 HydrophobicContact CD2-CZ 4.45Å; L678-F706 HydrophobicContact CG-CE1 4.42Å; L678-F706 HydrophobicContact CG-CZ 4.42Å; A682-F706 HydrophobicContact CB-CD1 4.06Å; A682-F706 HydrophobicContact CB-CE1 4.03Å; C692-F706 VanDerWaalsContact O-CA 3.27Å; C692-F706 WeakPolarHBondContact O-CA 3.2Å; K693-F706 HydrophobicContact CB-CD1 4.14Å; K693-F706 HydrophobicContact CB-CE1 3.9Å; K693-F706 HydrophobicContact CD-CE1 3.75Å; K693-F706 HydrophobicContact CD-CZ 3.8Å; K693-F706 HydrophobicContact CG-CD1 4.18Å; K693-F706 HydrophobicContact CG-CE1 3.63Å; K693-F706 HydrophobicContact CG-CZ 3.87Å; I700-F706 HydrophobicContact CD1-CE1 4.27Å; I700-F706 HydrophobicContact CD1-CZ 3.97Å; I700-F706 HydrophobicContact CG1-CZ 4.19Å; I700-F706 HydrophobicContact CG2-CE2 4.31Å; I700-F706 HydrophobicContact CG2-CZ 3.82Å; D704-F706 HydrophobicContact CB-CE2 3.95Å; D704-F706 HydrophobicContact CB-CZ 4.22Å
707	Y	95.5	Very high	91.2	Very high	65 Å²	65	70.3 Å²	70.3	26%	0.255	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.4	177.3	62.1	-86.3	0	0	0	111.5	N656 L691 C692 E694	N656-Y707 WeakPolarHBondContact O-CA 3.32Å; N656-Y707 VanDerWaalsContact O-CB 3.26Å; N656-Y707 WeakPolarHBondContact O-CB 3.34Å; L691-Y707 CarbonylContact C-O 3.44Å; L691-Y707 WeakPolarHBondContact CA-O 3.28Å; C692-Y707 HydrophobicContact CB-CD1 4.05Å; C692-Y707 HydrophobicContact CB-CD2 3.91Å; C692-Y707 HydrophobicContact CB-CE1 3.6Å; C692-Y707 HydrophobicContact CB-CE2 3.45Å; C692-Y707 VanDerWaalsContact CB-CE2 3.45Å; C692-Y707 HydrophobicContact CB-CG 4.19Å; C692-Y707 PolarHBondContact N-O 3.4Å; C692-Y707 PolarHBondContact O-N 3.13Å; C692-Y707 VanDerWaalsContact O-N 3.13Å; E694-Y707 HydrophobicContact CB-CE1 4.42Å
708	V	94.7	Very high	91.2	Very high	39 Å²	39	73.5 Å²	73.5	24%	0.236	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135	-177.9	179.1	0	0	0	0	110.9	F562 F652 L691 D710	F562-V708 HydrophobicContact CD1-CG1 4.13Å; F562-V708 HydrophobicContact CE1-CG1 3.99Å; F652-V708 HydrophobicContact CB-CG2 3.65Å; F652-V708 HydrophobicContact CD1-CG2 3.87Å; F652-V708 HydrophobicContact CG-CG2 3.85Å; L691-V708 HydrophobicContact CD2-CG2 4.38Å; V708-D710 PolarHBondContact O-N 3Å; V708-D710 VanDerWaalsContact O-N 3.14Å
709	N	93	Very high	91.5	Very high	31 Å²	31	64.9 Å²	64.9	17%	0.166	34%	0.336	C	S	.	.			trans	-81.7	82.7	172.8	-177.6	11.1	0	0	0	110.7	F562 R689 I690 S711 F712	F562-N709 WeakPolarHBondContact CD1-O 3.5Å; R689-N709 WeakPolarHBondContact O-CB 3.33Å; R689-N709 PolarHBondContact O-ND2 3.19Å; I690-N709 WeakPolarHBondContact O-CB 3.47Å; I690-N709 PolarHBondContact O-N 3.29Å; N709-S711 PolarHBondContact O-N 3.27Å; N709-S711 PolarHBondContact OD1-N 3.49Å; N709-F712 HydrophobicContact CB-CB 4.43Å; N709-F712 WeakPolarHBondContact O-CB 3.27Å; N709-F712 PolarHBondContact O-N 2.73Å
710	D	88.8	Confident	91.5	Very high	62 Å²	62	66 Å²	66	33%	0.332	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.7	177.5	-76.5	-52	0	0	0	113.9	G564 V708 F712	G564-D710 VanDerWaalsContact CA-O 3.26Å; G564-D710 WeakPolarHBondContact CA-O 3.42Å; G564-D710 PolarHBondContact N-O 3.29Å; V708-D710 PolarHBondContact O-N 3Å; V708-D710 VanDerWaalsContact O-N 3.14Å; D710-F712 VanDerWaalsContact C-N 3.28Å
711	S	87.5	Confident	91.3	Very high	49 Å²	49	66 Å²	66	34%	0.343	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2.6	175	-57.2	0	0	0	0	113.4	R565 N709 V713	R565-S711 PolarHBondContact NE-OG 3.01Å; N709-S711 PolarHBondContact O-N 3.27Å; N709-S711 PolarHBondContact OD1-N 3.49Å; S711-V713 PolarHBondContact O-N 3.05Å
712	F	90.1	Very high	90.4	Very high	3 Å²	3	65.8 Å²	65.8	1%	0.013	33%	0.333	C	S	.	.			trans	-56.8	134	-177.2	-179.9	-103.2	0	0	0	112.8	F562 R635 Y637 S687 R689 I690 N709 D710 V719	F562-F712 HydrophobicContact CD1-CB 4.03Å; F562-F712 HydrophobicContact CD2-CD1 4.33Å; F562-F712 HydrophobicContact CE1-CB 3.91Å; F562-F712 HydrophobicContact CE1-CD1 4.32Å; F562-F712 HydrophobicContact CE1-CG 4.35Å; F562-F712 AromaticContact CE2-CD1 3.9Å; F562-F712 HydrophobicContact CE2-CD1 3.9Å; F562-F712 HydrophobicContact CZ-CB 4.34Å; F562-F712 AromaticContact CZ-CD1 3.89Å; F562-F712 HydrophobicContact CZ-CD1 3.89Å; F562-F712 HydrophobicContact CZ-CG 4.3Å; R635-F712 PolarHBondContact NH1-O 3.08Å; Y637-F712 AromaticContact CD2-CD1 3.94Å; Y637-F712 HydrophobicContact CD2-CD1 3.94Å; Y637-F712 AromaticContact CD2-CE1 3.9Å; Y637-F712 HydrophobicContact CD2-CE1 3.9Å; Y637-F712 AromaticContact CE2-CD1 3.82Å; Y637-F712 HydrophobicContact CE2-CD1 3.82Å; Y637-F712 AromaticContact CE2-CE1 3.97Å; Y637-F712 HydrophobicContact CE2-CE1 3.97Å; Y637-F712 HydrophobicContact CG-CE1 4.23Å; S687-F712 WeakPolarHBondContact O-CE2 3.24Å; S687-F712 WeakPolarHBondContact O-CZ 3.39Å; R689-F712 WeakPolarHBondContact O-CD2 3.31Å; I690-F712 HydrophobicContact CD1-CD1 4.22Å; I690-F712 HydrophobicContact CD1-CD2 4.09Å; I690-F712 HydrophobicContact CD1-CE1 3.88Å; I690-F712 HydrophobicContact CD1-CE2 3.74Å; I690-F712 HydrophobicContact CD1-CG 4.32Å; I690-F712 HydrophobicContact CD1-CZ 3.63Å; N709-F712 HydrophobicContact CB-CB 4.43Å; N709-F712 WeakPolarHBondContact O-CB 3.27Å; N709-F712 PolarHBondContact O-N 2.73Å; D710-F712 VanDerWaalsContact C-N 3.28Å; F712-V719 HydrophobicContact CE1-CG2 4.27Å; F712-V719 HydrophobicContact CZ-CG1 4.18Å; F712-V719 HydrophobicContact CZ-CG2 4.16Å
713	V	87.7	Confident	89.2	Confident	90 Å²	90	66 Å²	66	55%	0.545	33%	0.334	S	S	.	.			trans	-138.1	132.9	173.6	-176.1	0	0	0	0	108.4	S711	S711-V713 PolarHBondContact O-N 3.05Å
714	S	88.3	Confident	87.5	Confident	17 Å²	17	64.9 Å²	64.9	12%	0.119	32%	0.323	C	S	.	.			trans	-125	146.9	168.9	169.8	0	0	0	0	110.5	Y637 H716 V719	Y637-S714 PolarHBondContact OH-N 2.96Å; Y637-S714 VanDerWaalsContact OH-N 3.16Å; Y637-S714 PolarHBondContact OH-O 2.9Å; S714-H716 WeakPolarHBondContact CB-O 3.2Å; S714-H716 PolarHBondContact O-N 2.6Å; S714-H716 PolarHBondContact OG-N 3.37Å; S714-H716 PolarHBondContact OG-O 3.08Å; S714-V719 WeakPolarHBondContact OG-CG2 3.39Å
715	K	88.1	Confident	85.3	Confident	209 Å²	209	70.1 Å²	70.1	91%	0.909	36%	0.355	S	S	*	.	S	Bend	trans	-67.9	-22	170	-65.4	-173.9	179.1	-176.2	0	112.5
716	H	87.8	Confident	82.8	Confident	134 Å²	134	71.8 Å²	71.8	62%	0.62	37%	0.366	S	S	*	.	S	Bend	trans	-112.6	136.7	-178.9	-57	-67.4	0	0	0	110.8	Y637 S714 K718 V719	Y637-H716 WeakPolarHBondContact CD1-O 3.4Å; S714-H716 WeakPolarHBondContact CB-O 3.2Å; S714-H716 PolarHBondContact O-N 2.6Å; S714-H716 PolarHBondContact OG-N 3.37Å; S714-H716 PolarHBondContact OG-O 3.08Å; H716-K718 WeakPolarHBondContact CB-O 3.37Å; H716-V719 WeakPolarHBondContact O-CG2 3.4Å
717	I	90.3	Very high	80.9	Confident	117 Å²	117	81 Å²	81	60%	0.6	41%	0.405	S	S	*	.	S	Bend	trans	-65.5	-41.8	174.1	-62.4	172.9	0	0	0	110.3	Y637 F638	Y637-I717 CarbonylContact C-O 3.48Å; Y637-I717 WeakPolarHBondContact CA-O 3.4Å; F638-I717 HydrophobicContact CD2-CG2 4.1Å; F638-I717 PolarHBondContact N-O 2.91Å
718	K	90.7	Very high	79.2	Confident	134 Å²	134	79 Å²	79	58%	0.583	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	114	169.6	-67.4	-162.5	172.1	-153	0	109.6	E557 F638 H716	E557-K718 IonicContact OE2-NZ 3.01Å; F638-K718 HydrophobicContact CB-CG 4.1Å; F638-K718 CarbonylContact O-C 3.58Å; F638-K718 WeakPolarHBondContact O-CA 3.4Å; H716-K718 WeakPolarHBondContact CB-O 3.37Å
719	V	91.2	Very high	77.8	Confident	7 Å²	7	78.1 Å²	78.1	4%	0.042	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.5	178.4	-177.1	0	0	0	0	108.6	Y637 F638 L639 Q640 Q688 F712 S714 H716	Y637-V719 HydrophobicContact CD1-CG2 4.09Å; Y637-V719 HydrophobicContact CG-CG2 4.49Å; F638-V719 PolarHBondContact O-N 2.99Å; L639-V719 CarbonylContact C-O 3.52Å; L639-V719 WeakPolarHBondContact CA-O 3.32Å; L639-V719 HydrophobicContact CD2-CB 3.86Å; L639-V719 HydrophobicContact CD2-CG1 4.44Å; L639-V719 HydrophobicContact CD2-CG2 4.37Å; Q640-V719 PolarHBondContact N-O 3.2Å; Q688-V719 HydrophobicContact CG-CG1 4.36Å; F712-V719 HydrophobicContact CE1-CG2 4.27Å; F712-V719 HydrophobicContact CZ-CG1 4.18Å; F712-V719 HydrophobicContact CZ-CG2 4.16Å; S714-V719 WeakPolarHBondContact OG-CG2 3.39Å; H716-V719 WeakPolarHBondContact O-CG2 3.4Å
720	R	88.9	Confident	77	Confident	118 Å²	118	81.9 Å²	81.9	45%	0.445	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.2	172.4	-171.6	173.3	-174	170	8.1	109.4	Q640 Q688 Q722	Q640-R720 HydrophobicContact CB-CB 4.41Å; Q640-R720 HydrophobicContact CB-CG 4.26Å; Q640-R720 HydrophobicContact CG-CG 4.46Å; Q688-R720 PolarHBondContact NE2-O 2.74Å; R720-Q722 HydrophobicContact CG-CG 4.5Å; R720-Q722 PolarHBondContact O-N 3.13Å
721	V	87.2	Confident	76.5	Confident	5 Å²	5	82.6 Å²	82.6	3%	0.03	42%	0.419	C	S	.	.			trans	-80.2	102.4	170.9	-175	0	0	0	0	106.4	Q640 V641 A680 L681 I690 S723	Q640-V721 PolarHBondContact O-N 2.99Å; V641-V721 HydrophobicContact CG1-CB 4.04Å; V641-V721 HydrophobicContact CG1-CG2 3.89Å; A680-V721 HydrophobicContact CB-CG1 4.39Å; L681-V721 HydrophobicContact CD2-CG1 4.03Å; I690-V721 HydrophobicContact CG1-CG2 4.1Å; V721-S723 PolarHBondContact O-N 2.96Å
722	Q	72.8	Confident	75.9	Confident	98 Å²	98	82.7 Å²	82.7	46%	0.458	41%	0.414	S	S	.	.			trans	-71	120.5	177.6	-69.9	179.5	7.9	0	0	108.1	R720 I724	R720-Q722 HydrophobicContact CG-CG 4.5Å; R720-Q722 PolarHBondContact O-N 3.13Å; Q722-I724 PolarHBondContact O-N 3.13Å
723	S	65.9	Low	75.7	Confident	58 Å²	58	83.8 Å²	83.8	41%	0.406	42%	0.418	S	S	.	.			trans	-50.6	142.3	160.5	-53.4	0	0	0	0	108.4	V721 T725	V721-S723 PolarHBondContact O-N 2.96Å; S723-T725 PolarHBondContact O-N 3.42Å
724	I	57.7	Low	75.6	Confident	84 Å²	84	84.2 Å²	84.2	43%	0.431	41%	0.414	S	S	.	.			trans	-64.5	91.1	175.5	-61.1	166.5	0	0	0	107.3	M679 A680 Q722 V726	M679-I724 HydrophobicContact CB-CD1 3.43Å; M679-I724 VanDerWaalsContact CB-CD1 3.43Å; A680-I724 HydrophobicContact CB-CD1 4.45Å; A680-I724 HydrophobicContact CB-CG1 4.18Å; Q722-I724 PolarHBondContact O-N 3.13Å; I724-V726 VanDerWaalsContact C-N 3.29Å; I724-V726 HydrophobicContact CG2-CG2 4.21Å; I724-V726 PolarHBondContact O-N 3.31Å
725	T	49.5	Very low	75.5	Confident	113 Å²	113	86.5 Å²	86.5	69%	0.693	42%	0.423	S	S	*	.			trans	-71.4	93	169.1	29.7	0	0	0	0	106.7	S723 K727	S723-T725 PolarHBondContact O-N 3.42Å; T725-K727 PolarHBondContact O-N 3.01Å
726	V	46.4	Very low	75.5	Confident	75 Å²	75	77.3 Å²	77.3	46%	0.455	38%	0.384	S	S	.	.			trans	-62.7	130.5	163.2	-161.4	0	0	0	0	105.5	I724 E728	I724-V726 VanDerWaalsContact C-N 3.29Å; I724-V726 HydrophobicContact CG2-CG2 4.21Å; I724-V726 PolarHBondContact O-N 3.31Å; V726-E728 PolarHBondContact O-N 3.44Å
727	K	56.2	Low	75.6	Confident	192 Å²	192	73.5 Å²	73.5	84%	0.835	36%	0.364	S	S	*	.	S	Bend	trans	-43.2	139.4	157.2	-76.5	-178.7	175.8	-179.4	0	106.9	T725 S729	T725-K727 PolarHBondContact O-N 3.01Å; K727-S729 PolarHBondContact O-N 3.45Å
728	E	60.8	Low	75.6	Confident	25 Å²	25	70.7 Å²	70.7	12%	0.117	35%	0.353	C	S	.	.	S	Bend	trans	-39.6	110.6	-174.3	-163.4	162.3	-118.2	0	0	110.7	K434 H435 K438 V726 E732	K434-E728 WeakPolarHBondContact CD-OE1 3.35Å; K434-E728 WeakPolarHBondContact CE-OE1 3.4Å; K434-E728 VanDerWaalsContact NZ-CD 3.31Å; K434-E728 IonicContact NZ-OE1 2.7Å; K434-E728 PolarHBondContact NZ-OE1 3.29Å; H435-E728 IonicContact NE2-OE2 3.47Å; K438-E728 IonicContact NZ-OE1 3.85Å; V726-E728 PolarHBondContact O-N 3.44Å; E728-E732 HydrophobicContact CG-CB 4.03Å; E728-E732 HydrophobicContact CG-CG 4.4Å
729	S	66	Low	75.6	Confident	20 Å²	20	67.8 Å²	67.8	14%	0.14	34%	0.34	C	S	.	.			trans	-72.7	151.4	-167.2	63.3	0	0	0	0	109.4	K727 P731 E732 R733	K727-S729 PolarHBondContact O-N 3.45Å; S729-P731 VanDerWaalsContact O-N 3.09Å; S729-E732 WeakPolarHBondContact O-CA 3.4Å; S729-E732 WeakPolarHBondContact O-CB 3.35Å; S729-E732 PolarHBondContact O-N 3.31Å; S729-R733 PolarHBondContact O-N 3.33Å
730	E	75.6	Confident	75.7	Confident	109 Å²	109	68.1 Å²	68.1	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-46.6	-41.7	176.7	-167.4	65.7	-110	0	0	113.1	E732 R733 Q734	E730-E732 PolarHBondContact O-N 3.38Å; E730-R733 VanDerWaalsContact CD-NH2 3.29Å; E730-R733 PolarHBondContact O-N 3.04Å; E730-R733 IonicContact OE1-CZ 3.9Å; E730-R733 IonicContact OE1-NE 2.76Å; E730-R733 PolarHBondContact OE1-NE 3.4Å; E730-R733 IonicContact OE1-NH2 3.12Å; E730-R733 PolarHBondContact OE1-NH2 2.98Å; E730-R733 IonicContact OE2-CZ 3.32Å; E730-R733 IonicContact OE2-NE 3.39Å; E730-R733 IonicContact OE2-NH2 3.73Å; E730-R733 PolarHBondContact OE2-NH2 3.46Å; E730-Q734 WeakPolarHBondContact O-CB 3.45Å; E730-Q734 PolarHBondContact O-N 3.12Å
731	P	77.1	Confident	75.8	Confident	77 Å²	77	66 Å²	66	50%	0.5	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-39.4	174.1	-23.7	34.7	0	0	0	114.2	S729 R733 Q734 E735	S729-P731 VanDerWaalsContact O-N 3.09Å; P731-R733 VanDerWaalsContact C-N 3.31Å; P731-Q734 PolarHBondContact O-N 3.25Å; P731-E735 WeakPolarHBondContact O-CB 3.26Å; P731-E735 PolarHBondContact O-N 2.92Å
732	E	76.6	Confident	76	Confident	51 Å²	51	69.9 Å²	69.9	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-69.5	-32.6	-180	-141.5	-166.8	146.2	0	0	111.1	K434 K438 E728 S729 E730 T736	K434-E732 WeakPolarHBondContact CE-OE1 3.48Å; K434-E732 VanDerWaalsContact NZ-CD 3.35Å; K434-E732 PolarHBondContact NZ-O 2.84Å; K434-E732 VanDerWaalsContact NZ-O 3.15Å; K434-E732 IonicContact NZ-OE1 3.74Å; K434-E732 PolarHBondContact NZ-OE1 3.2Å; K434-E732 VanDerWaalsContact NZ-OE1 3.16Å; K438-E732 IonicContact NZ-OE1 2.91Å; K438-E732 PolarHBondContact NZ-OE1 2.95Å; E728-E732 HydrophobicContact CG-CB 4.03Å; E728-E732 HydrophobicContact CG-CG 4.4Å; S729-E732 WeakPolarHBondContact O-CA 3.4Å; S729-E732 WeakPolarHBondContact O-CB 3.35Å; S729-E732 PolarHBondContact O-N 3.31Å; E730-E732 PolarHBondContact O-N 3.38Å; E732-T736 PolarHBondContact O-N 3.26Å; E732-T736 PolarHBondContact O-OG1 3.14Å
733	R	83.9	Confident	76.8	Confident	26 Å²	26	69.1 Å²	69.1	10%	0.098	36%	0.356	C	S	.	.	H	α-helix	trans	-72	-46	174.5	170.9	165.2	49.9	-124	-2.3	111.1	E386 Y431 S729 E730 P731 E735 T736 R737	E386-R733 IonicContact OE1-CZ 2.76Å; E386-R733 IonicContact OE1-NH1 2.82Å; E386-R733 PolarHBondContact OE1-NH1 3.47Å; E386-R733 WeakPolarHBondContact OE2-CD 3.25Å; E386-R733 IonicContact OE2-NH1 2.66Å; Y431-R733 HydrophobicContact CE1-CG 4.37Å; Y431-R733 WeakPolarHBondContact OH-CG 3.43Å; S729-R733 PolarHBondContact O-N 3.33Å; E730-R733 VanDerWaalsContact CD-NH2 3.29Å; E730-R733 PolarHBondContact O-N 3.04Å; E730-R733 IonicContact OE1-CZ 3.9Å; E730-R733 IonicContact OE1-NE 2.76Å; E730-R733 PolarHBondContact OE1-NE 3.4Å; E730-R733 IonicContact OE1-NH2 3.12Å; E730-R733 PolarHBondContact OE1-NH2 2.98Å; E730-R733 IonicContact OE2-CZ 3.32Å; E730-R733 IonicContact OE2-NE 3.39Å; E730-R733 IonicContact OE2-NH2 3.73Å; E730-R733 PolarHBondContact OE2-NH2 3.46Å; P731-R733 VanDerWaalsContact C-N 3.31Å; R733-E735 VanDerWaalsContact C-N 3.29Å; R733-E735 PolarHBondContact O-N 2.88Å; R733-T736 PolarHBondContact O-N 3.43Å; R733-R737 PolarHBondContact O-N 3.14Å
734	Q	86.1	Confident	78.2	Confident	99 Å²	99	67.3 Å²	67.3	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-41.7	176.3	-172.9	58.5	29.4	0	0	111.2	E730 P731 T736 R737 T738	E730-Q734 WeakPolarHBondContact O-CB 3.45Å; E730-Q734 PolarHBondContact O-N 3.12Å; P731-Q734 PolarHBondContact O-N 3.25Å; Q734-T736 PolarHBondContact O-N 3.17Å; Q734-R737 PolarHBondContact O-N 3.35Å; Q734-T738 PolarHBondContact O-N 2.97Å; Q734-T738 PolarHBondContact O-OG1 3.41Å; Q734-T738 VanDerWaalsContact O-OG1 3.07Å
735	E	87.3	Confident	80	Confident	66 Å²	66	68.1 Å²	68.1	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-44.5	174.8	-171.9	-164.2	151.9	0	0	112.1	Q515 P731 R733 R737 T738 K739	Q515-E735 VanDerWaalsContact NE2-CD 3.32Å; Q515-E735 PolarHBondContact NE2-OE1 2.91Å; P731-E735 WeakPolarHBondContact O-CB 3.26Å; P731-E735 PolarHBondContact O-N 2.92Å; R733-E735 VanDerWaalsContact C-N 3.29Å; R733-E735 PolarHBondContact O-N 2.88Å; E735-R737 PolarHBondContact O-N 3.34Å; E735-T738 PolarHBondContact O-N 2.9Å; E735-K739 WeakPolarHBondContact O-CG 3.47Å; E735-K739 PolarHBondContact O-N 3.2Å; E735-K739 WeakPolarHBondContact OE1-CE 3.25Å; E735-K739 IonicContact OE1-NZ 3.86Å; E735-K739 PolarHBondContact OE1-NZ 3.25Å
736	T	87.4	Confident	82.1	Confident	16 Å²	16	69.7 Å²	69.7	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-45.3	176.2	-66.4	0	0	0	0	111	Y431 K434 E732 R733 Q734 K739 V740	Y431-T736 HydrophobicContact CD1-CG2 3.9Å; Y431-T736 HydrophobicContact CE1-CG2 3.76Å; Y431-T736 HydrophobicContact CG-CG2 4.41Å; K434-T736 PolarHBondContact NZ-OG1 2.88Å; E732-T736 PolarHBondContact O-N 3.26Å; E732-T736 PolarHBondContact O-OG1 3.14Å; R733-T736 PolarHBondContact O-N 3.43Å; Q734-T736 PolarHBondContact O-N 3.17Å; T736-K739 PolarHBondContact O-N 2.8Å; T736-V740 WeakPolarHBondContact O-CG2 3.27Å; T736-V740 PolarHBondContact O-N 3.08Å; T736-V740 VanDerWaalsContact O-N 3.12Å
737	R	89.9	Confident	84.4	Confident	53 Å²	53	68.5 Å²	68.5	20%	0.2	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-50.5	176.2	-71.9	177.3	177.6	-94.9	-4.6	111.8	P382 L427 R733 Q734 E735 K739 V740 D741	P382-R737 PolarHBondContact O-NH2 3.38Å; L427-R737 HydrophobicContact CD1-CG 4.01Å; R733-R737 PolarHBondContact O-N 3.14Å; Q734-R737 PolarHBondContact O-N 3.35Å; E735-R737 PolarHBondContact O-N 3.34Å; R737-K739 VanDerWaalsContact C-N 3.34Å; R737-K739 PolarHBondContact O-N 2.92Å; R737-V740 WeakPolarHBondContact O-CB 3.48Å; R737-V740 PolarHBondContact O-N 3.29Å; R737-D741 PolarHBondContact O-N 3.2Å
738	T	91.2	Very high	86.3	Confident	58 Å²	58	59.5 Å²	59.5	36%	0.356	29%	0.286	S	S	.	.	H	α-helix	trans	-57.2	-46.6	179.4	-60.5	0	0	0	0	111.5	Q734 E735 V740 D741 E742	Q734-T738 PolarHBondContact O-N 2.97Å; Q734-T738 PolarHBondContact O-OG1 3.41Å; Q734-T738 VanDerWaalsContact O-OG1 3.07Å; E735-T738 PolarHBondContact O-N 2.9Å; T738-V740 VanDerWaalsContact C-N 3.28Å; T738-V740 PolarHBondContact O-N 3.1Å; T738-D741 PolarHBondContact O-N 3.42Å; T738-E742 HydrophobicContact CG2-CG 4.41Å; T738-E742 VanDerWaalsContact O-CG 3.29Å; T738-E742 WeakPolarHBondContact O-CG 3.38Å; T738-E742 PolarHBondContact O-N 3.11Å
739	K	90	Very high	88	Confident	74 Å²	74	59.2 Å²	59.2	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-34.1	177.3	-74.1	-179.1	-175.6	173.2	0	113.3	E735 T736 R737 N743	E735-K739 WeakPolarHBondContact O-CG 3.47Å; E735-K739 PolarHBondContact O-N 3.2Å; E735-K739 WeakPolarHBondContact OE1-CE 3.25Å; E735-K739 IonicContact OE1-NZ 3.86Å; E735-K739 PolarHBondContact OE1-NZ 3.25Å; T736-K739 PolarHBondContact O-N 2.8Å; R737-K739 VanDerWaalsContact C-N 3.34Å; R737-K739 PolarHBondContact O-N 2.92Å; K739-N743 WeakPolarHBondContact O-CB 3.37Å; K739-N743 PolarHBondContact O-N 3.18Å; K739-N743 VanDerWaalsContact O-N 3.11Å; K739-N743 PolarHBondContact O-ND2 2.96Å
740	V	92.3	Very high	89.4	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-67.1	-47	175.3	171.1	0	0	0	0	109.6	D426 L427 T736 R737 T738 E742 N743 R744	D426-V740 HydrophobicContact CB-CG1 4.41Å; L427-V740 HydrophobicContact CD1-CB 4.33Å; L427-V740 HydrophobicContact CD1-CG1 4.44Å; L427-V740 HydrophobicContact CD1-CG2 4.12Å; T736-V740 WeakPolarHBondContact O-CG2 3.27Å; T736-V740 PolarHBondContact O-N 3.08Å; T736-V740 VanDerWaalsContact O-N 3.12Å; R737-V740 WeakPolarHBondContact O-CB 3.48Å; R737-V740 PolarHBondContact O-N 3.29Å; T738-V740 VanDerWaalsContact C-N 3.28Å; T738-V740 PolarHBondContact O-N 3.1Å; V740-E742 VanDerWaalsContact C-N 3.33Å; V740-E742 PolarHBondContact O-N 3.11Å; V740-N743 WeakPolarHBondContact O-CB 3.3Å; V740-N743 PolarHBondContact O-N 3.02Å; V740-N743 VanDerWaalsContact O-N 3.11Å; V740-R744 HydrophobicContact CG1-CG 4.5Å; V740-R744 WeakPolarHBondContact O-CG 3.35Å; V740-R744 PolarHBondContact O-N 3.43Å
741	D	90.7	Very high	90.4	Very high	74 Å²	74	55.7 Å²	55.7	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-39.2	177.6	-69	-30.6	0	0	0	112.9	R737 T738 N743 R744 R745	R737-D741 PolarHBondContact O-N 3.2Å; T738-D741 PolarHBondContact O-N 3.42Å; D741-N743 PolarHBondContact O-N 3.01Å; D741-R744 WeakPolarHBondContact O-CB 3.35Å; D741-R744 PolarHBondContact O-N 3.48Å; D741-R744 IonicContact OD1-NH1 3.56Å; D741-R744 PolarHBondContact OD1-NH1 2.99Å; D741-R745 PolarHBondContact O-N 3Å
742	E	91.4	Very high	91.4	Very high	86 Å²	86	52 Å²	52	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-44.8	173.4	-67.8	-174.5	153.7	0	0	111.7	T738 V740 R744 R745 Y746	T738-E742 HydrophobicContact CG2-CG 4.41Å; T738-E742 VanDerWaalsContact O-CG 3.29Å; T738-E742 WeakPolarHBondContact O-CG 3.38Å; T738-E742 PolarHBondContact O-N 3.11Å; V740-E742 VanDerWaalsContact C-N 3.33Å; V740-E742 PolarHBondContact O-N 3.11Å; E742-R744 PolarHBondContact O-N 3.35Å; E742-R745 WeakPolarHBondContact O-CB 3.46Å; E742-R745 PolarHBondContact O-N 2.82Å; E742-R745 IonicContact OE1-NH2 3.43Å; E742-Y746 VanDerWaalsContact O-CD2 3.25Å; E742-Y746 WeakPolarHBondContact O-CD2 3.34Å
743	N	91.6	Very high	92.4	Very high	82 Å²	82	51.1 Å²	51.1	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-37.9	176.2	-78.8	-42.9	0	0	0	112.4	K739 V740 D741 R745 Y746 V747	K739-N743 WeakPolarHBondContact O-CB 3.37Å; K739-N743 PolarHBondContact O-N 3.18Å; K739-N743 VanDerWaalsContact O-N 3.11Å; K739-N743 PolarHBondContact O-ND2 2.96Å; V740-N743 WeakPolarHBondContact O-CB 3.3Å; V740-N743 PolarHBondContact O-N 3.02Å; V740-N743 VanDerWaalsContact O-N 3.11Å; D741-N743 PolarHBondContact O-N 3.01Å; N743-R745 PolarHBondContact O-N 2.85Å; N743-Y746 PolarHBondContact O-N 2.85Å; N743-V747 WeakPolarHBondContact O-CG2 3.04Å; N743-V747 PolarHBondContact O-N 3.29Å
744	R	94.6	Very high	93	Very high	21 Å²	21	57 Å²	57	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-55.9	-40.5	176.1	-73.3	175.4	174.7	179.4	-8.7	111.3	E424 D426 V740 D741 E742 Y746 V747 I748 F779	E424-R744 VanDerWaalsContact CD-NH2 3.35Å; E424-R744 IonicContact OE1-CZ 3.54Å; E424-R744 IonicContact OE1-NH1 3.06Å; E424-R744 PolarHBondContact OE1-NH1 2.85Å; E424-R744 IonicContact OE1-NH2 3.97Å; E424-R744 PolarHBondContact OE1-NH2 3.48Å; D426-R744 IonicContact OD1-CZ 3.47Å; D426-R744 IonicContact OD1-NE 3.84Å; D426-R744 IonicContact OD1-NH2 3.66Å; D426-R744 PolarHBondContact OD1-NH2 2.76Å; D426-R744 WeakPolarHBondContact OD2-CG 3.46Å; D426-R744 IonicContact OD2-CZ 2.73Å; D426-R744 IonicContact OD2-NE 2.7Å; D426-R744 PolarHBondContact OD2-NE 3.35Å; D426-R744 IonicContact OD2-NH2 2.65Å; D426-R744 PolarHBondContact OD2-NH2 2.86Å; V740-R744 HydrophobicContact CG1-CG 4.5Å; V740-R744 WeakPolarHBondContact O-CG 3.35Å; V740-R744 PolarHBondContact O-N 3.43Å; D741-R744 WeakPolarHBondContact O-CB 3.35Å; D741-R744 PolarHBondContact O-N 3.48Å; D741-R744 IonicContact OD1-NH1 3.56Å; D741-R744 PolarHBondContact OD1-NH1 2.99Å; E742-R744 PolarHBondContact O-N 3.35Å; R744-Y746 PolarHBondContact O-N 2.94Å; R744-V747 PolarHBondContact O-N 2.93Å; R744-I748 WeakPolarHBondContact O-CB 3.41Å; R744-I748 WeakPolarHBondContact O-CD1 3.37Å; R744-I748 WeakPolarHBondContact O-CG1 3.17Å; R744-I748 PolarHBondContact O-N 2.9Å; R744-F779 HydrophobicContact CB-CE1 4.45Å; R744-F779 HydrophobicContact CB-CE2 4.08Å; R744-F779 HydrophobicContact CB-CZ 3.88Å; R744-F779 HydrophobicContact CG-CD1 4.21Å; R744-F779 HydrophobicContact CG-CD2 4.14Å; R744-F779 HydrophobicContact CG-CE1 3.94Å; R744-F779 HydrophobicContact CG-CE2 3.83Å; R744-F779 HydrophobicContact CG-CG 4.31Å; R744-F779 HydrophobicContact CG-CZ 3.74Å
745	R	94.5	Very high	93.5	Very high	101 Å²	101	52.5 Å²	52.5	38%	0.381	25%	0.251	S	S	.	.	H	α-helix	trans	-56.6	-50.7	177.3	-64.2	-174.7	-64.2	-166.7	1.1	111.8	D741 E742 N743 I748 E749	D741-R745 PolarHBondContact O-N 3Å; E742-R745 WeakPolarHBondContact O-CB 3.46Å; E742-R745 PolarHBondContact O-N 2.82Å; E742-R745 IonicContact OE1-NH2 3.43Å; N743-R745 PolarHBondContact O-N 2.85Å; R745-I748 PolarHBondContact O-N 3.1Å; R745-E749 WeakPolarHBondContact O-CG 3.46Å; R745-E749 PolarHBondContact O-N 3.31Å; R745-E749 VanDerWaalsContact O-N 3.08Å
746	Y	94.2	Very high	94	Very high	145 Å²	145	49.3 Å²	49.3	57%	0.569	24%	0.236	S	C	*	.	H	α-helix	trans	-65.9	-39	179.8	-59.6	-60.4	0	0	0	112.5	E742 N743 R744 E749 A750	E742-Y746 VanDerWaalsContact O-CD2 3.25Å; E742-Y746 WeakPolarHBondContact O-CD2 3.34Å; N743-Y746 PolarHBondContact O-N 2.85Å; R744-Y746 PolarHBondContact O-N 2.94Å; Y746-E749 PolarHBondContact O-N 3.28Å; Y746-A750 WeakPolarHBondContact O-CB 3.25Å; Y746-A750 PolarHBondContact O-N 2.87Å
747	V	94.1	Very high	94.5	Very high	50 Å²	50	54.4 Å²	54.4	30%	0.303	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-43.1	178.6	172.1	0	0	0	0	111.2	N743 R744 A750 T751 L775 F779	N743-V747 WeakPolarHBondContact O-CG2 3.04Å; N743-V747 PolarHBondContact O-N 3.29Å; R744-V747 PolarHBondContact O-N 2.93Å; V747-A750 PolarHBondContact O-N 3.23Å; V747-T751 PolarHBondContact O-N 3.46Å; V747-T751 PolarHBondContact O-OG1 3.35Å; V747-T751 VanDerWaalsContact O-OG1 3.05Å; V747-L775 HydrophobicContact CG1-CD2 3.57Å; V747-F779 HydrophobicContact CG1-CE1 4.13Å
748	I	97	Very high	94.8	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-48	176.1	-66	164	0	0	0	110.3	R744 R745 A750 T751 I752 L775 F779 P781 M785 I786 R789	R744-I748 WeakPolarHBondContact O-CB 3.41Å; R744-I748 WeakPolarHBondContact O-CD1 3.37Å; R744-I748 WeakPolarHBondContact O-CG1 3.17Å; R744-I748 PolarHBondContact O-N 2.9Å; R745-I748 PolarHBondContact O-N 3.1Å; I748-A750 PolarHBondContact O-N 3.17Å; I748-T751 PolarHBondContact O-N 2.92Å; I748-I752 HydrophobicContact CG2-CD1 3.67Å; I748-I752 HydrophobicContact CG2-CG1 4.29Å; I748-I752 VanDerWaalsContact O-CG1 3.32Å; I748-I752 WeakPolarHBondContact O-CG1 3.34Å; I748-I752 PolarHBondContact O-N 3.43Å; I748-L775 HydrophobicContact CB-CD1 4.5Å; I748-L775 HydrophobicContact CG1-CD1 3.86Å; I748-F779 HydrophobicContact CD1-CE2 4.09Å; I748-F779 HydrophobicContact CD1-CZ 4.19Å; I748-F779 HydrophobicContact CG1-CE2 4.18Å; I748-F779 HydrophobicContact CG1-CZ 3.86Å; I748-P781 HydrophobicContact CD1-CB 4.06Å; I748-P781 HydrophobicContact CG1-CB 4.36Å; I748-M785 HydrophobicContact CD1-CB 4.28Å; I748-I786 HydrophobicContact CG2-CG1 4.35Å; I748-R789 HydrophobicContact CB-CG 4.01Å; I748-R789 HydrophobicContact CG2-CB 3.85Å; I748-R789 HydrophobicContact CG2-CG 3.61Å
749	E	96.6	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	-58.9	-46.6	178.5	-73	174.5	-160	0	0	111.9	R745 Y746 T751 I752 V753 R789 L793 R796	R745-E749 WeakPolarHBondContact O-CG 3.46Å; R745-E749 PolarHBondContact O-N 3.31Å; R745-E749 VanDerWaalsContact O-N 3.08Å; Y746-E749 PolarHBondContact O-N 3.28Å; E749-T751 VanDerWaalsContact C-N 3.31Å; E749-T751 PolarHBondContact O-N 2.79Å; E749-I752 PolarHBondContact O-N 3.45Å; E749-V753 WeakPolarHBondContact O-CG2 3.33Å; E749-V753 PolarHBondContact O-N 2.79Å; E749-R789 HydrophobicContact CG-CB 3.96Å; E749-R789 HydrophobicContact CG-CG 4.04Å; E749-R789 WeakPolarHBondContact OE1-CD 3.42Å; E749-R789 IonicContact OE1-CZ 3.62Å; E749-R789 IonicContact OE1-NE 3.59Å; E749-R789 IonicContact OE1-NH1 2.91Å; E749-R789 PolarHBondContact OE1-NH1 3.49Å; E749-L793 HydrophobicContact CB-CD1 4.46Å; E749-L793 HydrophobicContact CG-CD1 4.47Å; E749-L793 HydrophobicContact CG-CG 4.47Å; E749-R796 IonicContact OE1-NH2 3.97Å; E749-R796 IonicContact OE2-CZ 2.73Å; E749-R796 IonicContact OE2-NH1 2.63Å; E749-R796 IonicContact OE2-NH2 3.46Å; E749-R796 PolarHBondContact OE2-NH2 2.98Å
750	A	95.8	Very high	95.3	Very high	50 Å²	50	61.5 Å²	61.5	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-38.4	177.7	0	0	0	0	0	112.4	Y746 V747 I748 R754	Y746-A750 WeakPolarHBondContact O-CB 3.25Å; Y746-A750 PolarHBondContact O-N 2.87Å; V747-A750 PolarHBondContact O-N 3.23Å; I748-A750 PolarHBondContact O-N 3.17Å; A750-R754 WeakPolarHBondContact O-CB 3.46Å; A750-R754 PolarHBondContact O-N 3.35Å
751	T	96.6	Very high	95.5	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-68.3	-45.3	176.1	-62.2	0	0	0	0	111.6	V747 I748 E749 V753 R754 V755 V771 Q774 L775	V747-T751 PolarHBondContact O-N 3.46Å; V747-T751 PolarHBondContact O-OG1 3.35Å; V747-T751 VanDerWaalsContact O-OG1 3.05Å; I748-T751 PolarHBondContact O-N 2.92Å; E749-T751 VanDerWaalsContact C-N 3.31Å; E749-T751 PolarHBondContact O-N 2.79Å; T751-V753 VanDerWaalsContact C-N 3.34Å; T751-V753 PolarHBondContact O-N 2.8Å; T751-R754 PolarHBondContact O-N 3.44Å; T751-V755 HydrophobicContact CG2-CG2 4.46Å; T751-V755 WeakPolarHBondContact O-CG2 3.47Å; T751-V755 PolarHBondContact O-N 2.57Å; T751-V771 HydrophobicContact CG2-CG1 4.27Å; T751-V771 HydrophobicContact CG2-CG2 4.32Å; T751-Q774 HydrophobicContact CG2-CB 3.98Å; T751-L775 HydrophobicContact CG2-CD1 4.49Å; T751-L775 HydrophobicContact CG2-CG 4.25Å; T751-L775 WeakPolarHBondContact OG1-CD2 3.38Å
752	I	97.7	Very high	95.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-49.4	175.9	-68.3	162.8	0	0	0	110.2	I748 E749 R754 V755 M756 L767 V771 I786 R789 I790 L793 L799	I748-I752 HydrophobicContact CG2-CD1 3.67Å; I748-I752 HydrophobicContact CG2-CG1 4.29Å; I748-I752 VanDerWaalsContact O-CG1 3.32Å; I748-I752 WeakPolarHBondContact O-CG1 3.34Å; I748-I752 PolarHBondContact O-N 3.43Å; E749-I752 PolarHBondContact O-N 3.45Å; I752-R754 VanDerWaalsContact C-N 3.32Å; I752-R754 PolarHBondContact O-N 3.31Å; I752-V755 PolarHBondContact O-N 3.42Å; I752-M756 HydrophobicContact CG2-CG 4.26Å; I752-M756 WeakPolarHBondContact O-CB 3.38Å; I752-M756 WeakPolarHBondContact O-CG 3.31Å; I752-M756 PolarHBondContact O-N 3.42Å; I752-L767 HydrophobicContact CG2-CD2 4.35Å; I752-V771 HydrophobicContact CG1-CG1 4.48Å; I752-V771 HydrophobicContact CG1-CG2 3.82Å; I752-I786 HydrophobicContact CD1-CG2 4.26Å; I752-R789 HydrophobicContact CD1-CB 3.7Å; I752-I790 HydrophobicContact CD1-CG1 3.93Å; I752-I790 HydrophobicContact CG2-CG1 4.46Å; I752-L793 HydrophobicContact CB-CD1 3.78Å; I752-L793 HydrophobicContact CD1-CD1 4.12Å; I752-L793 HydrophobicContact CG2-CD1 3.5Å; I752-L799 HydrophobicContact CG2-CD1 3.82Å
753	V	97.4	Very high	96	Very high	32 Å²	32	59.2 Å²	59.2	19%	0.194	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-42.8	178.8	169.2	0	0	0	0	111	E749 T751 K757 L793 F798 Y811	E749-V753 WeakPolarHBondContact O-CG2 3.33Å; E749-V753 PolarHBondContact O-N 2.79Å; T751-V753 VanDerWaalsContact C-N 3.34Å; T751-V753 PolarHBondContact O-N 2.8Å; V753-K757 WeakPolarHBondContact O-CB 3.42Å; V753-K757 PolarHBondContact O-N 2.88Å; V753-L793 HydrophobicContact CG2-CD1 4.07Å; V753-L793 HydrophobicContact CG2-CD2 3.62Å; V753-F798 HydrophobicContact CG2-CD1 4.41Å; V753-Y811 HydrophobicContact CG1-CE2 4.12Å
754	R	96.7	Very high	96.3	Very high	150 Å²	150	58 Å²	58	57%	0.566	28%	0.282	S	S	*	.	H	α-helix	trans	-62.7	-46	178.2	-167.8	-170.2	-55.3	150.3	4.1	112.3	A750 T751 I752 A758	A750-R754 WeakPolarHBondContact O-CB 3.46Å; A750-R754 PolarHBondContact O-N 3.35Å; T751-R754 PolarHBondContact O-N 3.44Å; I752-R754 VanDerWaalsContact C-N 3.32Å; I752-R754 PolarHBondContact O-N 3.31Å; R754-A758 PolarHBondContact O-N 3Å
755	V	97.3	Very high	96.4	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-51.8	177.6	171.4	0	0	0	0	110.4	T751 I752 K757 A758 R759 L762 L767 E770	T751-V755 HydrophobicContact CG2-CG2 4.46Å; T751-V755 WeakPolarHBondContact O-CG2 3.47Å; T751-V755 PolarHBondContact O-N 2.57Å; I752-V755 PolarHBondContact O-N 3.42Å; V755-K757 VanDerWaalsContact C-N 3.34Å; V755-K757 PolarHBondContact O-N 2.87Å; V755-A758 PolarHBondContact O-N 2.76Å; V755-A758 VanDerWaalsContact O-N 3.13Å; V755-R759 HydrophobicContact CG1-CG 4.28Å; V755-R759 WeakPolarHBondContact O-CG 3.36Å; V755-R759 PolarHBondContact O-N 2.87Å; V755-L762 HydrophobicContact CG1-CD2 3.84Å; V755-L767 HydrophobicContact CB-CD1 4.17Å; V755-L767 HydrophobicContact CG1-CD1 3.7Å; V755-E770 HydrophobicContact CG1-CB 4.44Å; V755-E770 HydrophobicContact CG1-CG 4.11Å; V755-E770 WeakPolarHBondContact CG1-OE2 3.42Å; V755-E770 HydrophobicContact CG2-CG 4.09Å
756	M	97.5	Very high	96.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-35.7	-177.4	-73	-59.3	-57.5	0	0	112.4	I752 A758 K760 L762 L767 L799 Y809 Y811	I752-M756 HydrophobicContact CG2-CG 4.26Å; I752-M756 WeakPolarHBondContact O-CB 3.38Å; I752-M756 WeakPolarHBondContact O-CG 3.31Å; I752-M756 PolarHBondContact O-N 3.42Å; M756-A758 VanDerWaalsContact C-N 3.27Å; M756-A758 PolarHBondContact O-N 3.09Å; M756-K760 VanDerWaalsContact O-CA 3.31Å; M756-K760 WeakPolarHBondContact O-CA 3.31Å; M756-K760 PolarHBondContact O-N 2.95Å; M756-L762 HydrophobicContact SD-CB 3.79Å; M756-L767 HydrophobicContact CG-CD1 4.09Å; M756-L767 HydrophobicContact CG-CD2 4.27Å; M756-L767 HydrophobicContact SD-CD1 4.09Å; M756-L767 HydrophobicContact SD-CD2 4.06Å; M756-L799 HydrophobicContact CB-CD2 3.58Å; M756-L799 HydrophobicContact CE-CD2 3.96Å; M756-L799 HydrophobicContact CG-CD1 4.44Å; M756-L799 HydrophobicContact CG-CD2 3.56Å; M756-Y809 WeakPolarHBondContact CE-O 3.26Å; M756-Y811 HydrophobicContact CB-CD2 3.79Å; M756-Y811 HydrophobicContact CB-CG 4.29Å; M756-Y811 WeakPolarHBondContact O-CB 3.41Å
757	K	96.7	Very high	96.6	Very high	122 Å²	122	52.9 Å²	52.9	53%	0.53	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-36.4	173.9	-177.3	171.2	-177.8	171.9	0	112.6	V753 V755 K760 Y811	V753-K757 WeakPolarHBondContact O-CB 3.42Å; V753-K757 PolarHBondContact O-N 2.88Å; V755-K757 VanDerWaalsContact C-N 3.34Å; V755-K757 PolarHBondContact O-N 2.87Å; K757-K760 WeakPolarHBondContact O-CD 3.46Å; K757-K760 VanDerWaalsContact O-CE 3.28Å; K757-K760 WeakPolarHBondContact O-CE 3.39Å; K757-K760 PolarHBondContact O-NZ 3.3Å; K757-Y811 HydrophobicContact CB-CD1 4.27Å; K757-Y811 HydrophobicContact CB-CE1 3.77Å; K757-Y811 HydrophobicContact CB-CE2 4.13Å; K757-Y811 HydrophobicContact CD-CE1 4.41Å; K757-Y811 HydrophobicContact CG-CE1 3.78Å
758	A	96.5	Very high	96.8	Very high	80 Å²	80	51.2 Å²	51.2	66%	0.661	27%	0.27	S	S	*	.	H	α-helix	trans	-79.2	-46.1	179.4	0	0	0	0	0	112.5	R754 V755 M756	R754-A758 PolarHBondContact O-N 3Å; V755-A758 PolarHBondContact O-N 2.76Å; V755-A758 VanDerWaalsContact O-N 3.13Å; M756-A758 VanDerWaalsContact C-N 3.27Å; M756-A758 PolarHBondContact O-N 3.09Å
759	R	96.2	Very high	96.8	Very high	140 Å²	140	55.7 Å²	55.7	53%	0.528	30%	0.298	S	S	.	.	H	α-helix	trans	-81.1	-24	-175.7	-60.2	-64	-174.7	-177.7	-2.8	114	V755 T761 L762 E770	V755-R759 HydrophobicContact CG1-CG 4.28Å; V755-R759 WeakPolarHBondContact O-CG 3.36Å; V755-R759 PolarHBondContact O-N 2.87Å; R759-T761 PolarHBondContact O-N 3.43Å; R759-L762 HydrophobicContact CB-CD1 4.37Å; R759-L762 HydrophobicContact CG-CD1 4.26Å; R759-L762 HydrophobicContact CG-CD2 4.35Å; R759-E770 IonicContact CZ-OE1 3.57Å; R759-E770 IonicContact NE-OE1 2.73Å; R759-E770 PolarHBondContact NE-OE1 3.06Å; R759-E770 IonicContact NE-OE2 3.72Å; R759-E770 PolarHBondContact NE-OE2 3.04Å; R759-E770 IonicContact NH2-OE1 3.32Å; R759-E770 PolarHBondContact NH2-OE1 3.31Å; R759-E770 IonicContact NH2-OE2 3.52Å
760	K	95.6	Very high	96.8	Very high	114 Å²	114	56.8 Å²	56.8	50%	0.496	30%	0.303	S	S	.	.	S	Bend	trans	64.5	-47.4	-172.6	-53.7	-56	-173.3	-169.4	0	114.6	M756 K757 K810 Y811	M756-K760 VanDerWaalsContact O-CA 3.31Å; M756-K760 WeakPolarHBondContact O-CA 3.31Å; M756-K760 PolarHBondContact O-N 2.95Å; K757-K760 WeakPolarHBondContact O-CD 3.46Å; K757-K760 VanDerWaalsContact O-CE 3.28Å; K757-K760 WeakPolarHBondContact O-CE 3.39Å; K757-K760 PolarHBondContact O-NZ 3.3Å; K760-K810 CarbonylContact O-C 3.52Å; K760-K810 WeakPolarHBondContact O-CA 3.44Å; K760-Y811 PolarHBondContact O-N 3.47Å
761	T	96.3	Very high	96.9	Very high	73 Å²	73	54.4 Å²	54.4	45%	0.448	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.3	174.2	49.9	0	0	0	0	110.2	R759 Y809 K810	R759-T761 PolarHBondContact O-N 3.43Å; T761-Y809 VanDerWaalsContact CA-O 3.24Å; T761-Y809 WeakPolarHBondContact CA-O 3.29Å; T761-K810 HydrophobicContact CG2-CB 4.28Å; T761-K810 HydrophobicContact CG2-CG 4.33Å
762	L	96.9	Very high	96.9	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	142.1	-179.9	-157	65.2	0	0	0	111.4	V755 M756 R759 Q766 L767 Y809	V755-L762 HydrophobicContact CG1-CD2 3.84Å; M756-L762 HydrophobicContact SD-CB 3.79Å; R759-L762 HydrophobicContact CB-CD1 4.37Å; R759-L762 HydrophobicContact CG-CD1 4.26Å; R759-L762 HydrophobicContact CG-CD2 4.35Å; L762-Q766 HydrophobicContact CD1-CB 3.98Å; L762-Q766 HydrophobicContact CD2-CB 4.37Å; L762-Q766 HydrophobicContact CG-CB 3.93Å; L762-L767 HydrophobicContact CD2-CB 3.8Å; L762-L767 HydrophobicContact CD2-CD1 4.04Å; L762-L767 HydrophobicContact CG-CB 4.37Å; L762-Y809 PolarHBondContact N-O 3.3Å; L762-Y809 PolarHBondContact O-N 3.49Å
763	S	97.1	Very high	96.8	Very high	35 Å²	35	61.5 Å²	61.5	25%	0.245	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	152.9	173.4	70.9	0	0	0	0	111.5	G765 Q766 L767 R807	S763-G765 VanDerWaalsContact C-N 3.33Å; S763-G765 PolarHBondContact O-N 3.31Å; S763-Q766 PolarHBondContact O-N 3.41Å; S763-Q766 WeakPolarHBondContact OG-CB 3.14Å; S763-Q766 VanDerWaalsContact OG-CD 3.3Å; S763-Q766 VanDerWaalsContact OG-CG 3.29Å; S763-Q766 WeakPolarHBondContact OG-CG 3.28Å; S763-Q766 PolarHBondContact OG-N 2.97Å; S763-Q766 PolarHBondContact OG-OE1 3.46Å; S763-L767 WeakPolarHBondContact O-CB 3.4Å; S763-L767 PolarHBondContact O-N 3.13Å; S763-R807 CarbonylContact C-O 3.54Å; S763-R807 WeakPolarHBondContact CA-O 3.12Å
764	H	96.8	Very high	96.6	Very high	55 Å²	55	63.7 Å²	63.7	26%	0.255	33%	0.325	S	S	.	.	H	α-helix	trans	-56.2	-46	-179.5	-178.9	87.3	0	0	0	112.3	Q766 L767 V768 R807 Y809	H764-Q766 PolarHBondContact O-N 3.32Å; H764-L767 PolarHBondContact O-N 3.1Å; H764-V768 VanDerWaalsContact O-CG2 3.31Å; H764-V768 WeakPolarHBondContact O-CG2 3.36Å; H764-V768 PolarHBondContact O-N 2.93Å; H764-R807 PolarHBondContact N-O 3.4Å; H764-Y809 HydrophobicContact CB-CE2 3.68Å; H764-Y809 AromaticContact CG-CE2 3.98Å; H764-Y809 AromaticContact ND1-CE2 3.48Å; H764-Y809 WeakPolarHBondContact ND1-CE2 3.47Å; H764-Y809 AromaticContact ND1-CZ 3.65Å; H764-Y809 PolarHBondContact ND1-OH 3.47Å
765	G	96	Very high	96.4	Very high	45 Å²	45	56.8 Å²	56.8	46%	0.464	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-45.8	179.2	0	0	0	0	0	112.3	S763 V768 V769	S763-G765 VanDerWaalsContact C-N 3.33Å; S763-G765 PolarHBondContact O-N 3.31Å; G765-V768 PolarHBondContact O-N 3.16Å; G765-V769 WeakPolarHBondContact O-CG2 3.47Å; G765-V769 PolarHBondContact O-N 2.78Å; G765-V769 VanDerWaalsContact O-N 3.14Å
766	Q	97	Very high	96.1	Very high	115 Å²	115	61.2 Å²	61.2	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-40.9	177.9	-71.4	170.3	-42.6	0	0	112.1	L762 S763 H764 V769 E770	L762-Q766 HydrophobicContact CD1-CB 3.98Å; L762-Q766 HydrophobicContact CD2-CB 4.37Å; L762-Q766 HydrophobicContact CG-CB 3.93Å; S763-Q766 PolarHBondContact O-N 3.41Å; S763-Q766 WeakPolarHBondContact OG-CB 3.14Å; S763-Q766 VanDerWaalsContact OG-CD 3.3Å; S763-Q766 VanDerWaalsContact OG-CG 3.29Å; S763-Q766 WeakPolarHBondContact OG-CG 3.28Å; S763-Q766 PolarHBondContact OG-N 2.97Å; S763-Q766 PolarHBondContact OG-OE1 3.46Å; H764-Q766 PolarHBondContact O-N 3.32Å; Q766-V769 PolarHBondContact O-N 2.93Å; Q766-E770 WeakPolarHBondContact O-CB 3.45Å; Q766-E770 PolarHBondContact O-N 3.32Å
767	L	97.3	Very high	95.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.8	-45.2	177.3	179.9	58.1	0	0	0	111.6	I752 V755 M756 L762 S763 H764 V769 E770 V771 I790 Y809	I752-L767 HydrophobicContact CG2-CD2 4.35Å; V755-L767 HydrophobicContact CB-CD1 4.17Å; V755-L767 HydrophobicContact CG1-CD1 3.7Å; M756-L767 HydrophobicContact CG-CD1 4.09Å; M756-L767 HydrophobicContact CG-CD2 4.27Å; M756-L767 HydrophobicContact SD-CD1 4.09Å; M756-L767 HydrophobicContact SD-CD2 4.06Å; L762-L767 HydrophobicContact CD2-CB 3.8Å; L762-L767 HydrophobicContact CD2-CD1 4.04Å; L762-L767 HydrophobicContact CG-CB 4.37Å; S763-L767 WeakPolarHBondContact O-CB 3.4Å; S763-L767 PolarHBondContact O-N 3.13Å; H764-L767 PolarHBondContact O-N 3.1Å; L767-V769 PolarHBondContact O-N 3.45Å; L767-E770 PolarHBondContact O-N 3.24Å; L767-V771 HydrophobicContact CD1-CG2 3.87Å; L767-V771 HydrophobicContact CG-CG2 4.37Å; L767-V771 WeakPolarHBondContact O-CB 3.3Å; L767-V771 WeakPolarHBondContact O-CG2 3.4Å; L767-V771 PolarHBondContact O-N 3.06Å; L767-I790 HydrophobicContact CD2-CD1 3.69Å; L767-I790 HydrophobicContact CD2-CG1 4.15Å; L767-I790 HydrophobicContact CG-CD1 4.42Å; L767-Y809 HydrophobicContact CD2-CD2 3.86Å; L767-Y809 HydrophobicContact CD2-CE2 4.27Å
768	V	97.3	Very high	95.3	Very high	15 Å²	15	60.9 Å²	60.9	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-46.5	177.8	169.3	0	0	0	0	110.7	H764 G765 V771 I772 P783 I786	H764-V768 VanDerWaalsContact O-CG2 3.31Å; H764-V768 WeakPolarHBondContact O-CG2 3.36Å; H764-V768 PolarHBondContact O-N 2.93Å; G765-V768 PolarHBondContact O-N 3.16Å; V768-V771 PolarHBondContact O-N 3.19Å; V768-I772 HydrophobicContact CG1-CD1 3.78Å; V768-I772 VanDerWaalsContact O-CG1 3.3Å; V768-I772 WeakPolarHBondContact O-CG1 3.41Å; V768-I772 PolarHBondContact O-N 2.96Å; V768-P783 HydrophobicContact CG1-CB 4.38Å; V768-I786 HydrophobicContact CG1-CD1 4.12Å; V768-I786 HydrophobicContact CG2-CG2 4.1Å
769	V	97.2	Very high	95.2	Very high	97 Å²	97	57.3 Å²	57.3	59%	0.588	29%	0.292	S	S	*	.	H	α-helix	trans	-62	-47.8	178.1	171.9	0	0	0	0	111.4	G765 Q766 L767 V771 I772 E773	G765-V769 WeakPolarHBondContact O-CG2 3.47Å; G765-V769 PolarHBondContact O-N 2.78Å; G765-V769 VanDerWaalsContact O-N 3.14Å; Q766-V769 PolarHBondContact O-N 2.93Å; L767-V769 PolarHBondContact O-N 3.45Å; V769-V771 VanDerWaalsContact C-N 3.33Å; V769-V771 PolarHBondContact O-N 2.96Å; V769-I772 PolarHBondContact O-N 2.9Å; V769-E773 WeakPolarHBondContact O-CB 3.1Å; V769-E773 PolarHBondContact O-N 2.96Å
770	E	97	Very high	94.9	Very high	44 Å²	44	54.2 Å²	54.2	21%	0.206	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-35.5	-178.5	-166.9	165.2	-168.8	0	0	111.8	V755 R759 Q766 L767 Q774	V755-E770 HydrophobicContact CG1-CB 4.44Å; V755-E770 HydrophobicContact CG1-CG 4.11Å; V755-E770 WeakPolarHBondContact CG1-OE2 3.42Å; V755-E770 HydrophobicContact CG2-CG 4.09Å; R759-E770 IonicContact CZ-OE1 3.57Å; R759-E770 IonicContact NE-OE1 2.73Å; R759-E770 PolarHBondContact NE-OE1 3.06Å; R759-E770 IonicContact NE-OE2 3.72Å; R759-E770 PolarHBondContact NE-OE2 3.04Å; R759-E770 IonicContact NH2-OE1 3.32Å; R759-E770 PolarHBondContact NH2-OE1 3.31Å; R759-E770 IonicContact NH2-OE2 3.52Å; Q766-E770 WeakPolarHBondContact O-CB 3.45Å; Q766-E770 PolarHBondContact O-N 3.32Å; L767-E770 PolarHBondContact O-N 3.24Å; E770-Q774 WeakPolarHBondContact O-CG 2.99Å; E770-Q774 PolarHBondContact O-N 3.42Å; E770-Q774 VanDerWaalsContact O-N 3.09Å
771	V	97.4	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-44	175.2	171.5	0	0	0	0	111.9	T751 I752 L767 V768 V769 E773 Q774 L775 I786	T751-V771 HydrophobicContact CG2-CG1 4.27Å; T751-V771 HydrophobicContact CG2-CG2 4.32Å; I752-V771 HydrophobicContact CG1-CG1 4.48Å; I752-V771 HydrophobicContact CG1-CG2 3.82Å; L767-V771 HydrophobicContact CD1-CG2 3.87Å; L767-V771 HydrophobicContact CG-CG2 4.37Å; L767-V771 WeakPolarHBondContact O-CB 3.3Å; L767-V771 WeakPolarHBondContact O-CG2 3.4Å; L767-V771 PolarHBondContact O-N 3.06Å; V768-V771 PolarHBondContact O-N 3.19Å; V769-V771 VanDerWaalsContact C-N 3.33Å; V769-V771 PolarHBondContact O-N 2.96Å; V771-E773 VanDerWaalsContact C-N 3.33Å; V771-Q774 PolarHBondContact O-N 2.97Å; V771-L775 HydrophobicContact CG1-CD1 3.91Å; V771-L775 WeakPolarHBondContact O-CB 3.3Å; V771-L775 WeakPolarHBondContact O-CG 3.17Å; V771-L775 PolarHBondContact O-N 3.34Å; V771-L775 VanDerWaalsContact O-N 3.16Å; V771-I786 HydrophobicContact CB-CD1 4.26Å; V771-I786 HydrophobicContact CG1-CD1 3.89Å; V771-I786 HydrophobicContact CG1-CG1 4.07Å; V771-I786 HydrophobicContact CG1-CG2 4.47Å
772	I	96.5	Very high	94.7	Very high	46 Å²	46	48.5 Å²	48.5	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-47	175.7	-70.5	168.3	0	0	0	109.8	V768 V769 Q774 L775 K776 P781 I786	V768-I772 HydrophobicContact CG1-CD1 3.78Å; V768-I772 VanDerWaalsContact O-CG1 3.3Å; V768-I772 WeakPolarHBondContact O-CG1 3.41Å; V768-I772 PolarHBondContact O-N 2.96Å; V769-I772 PolarHBondContact O-N 2.9Å; I772-Q774 VanDerWaalsContact C-N 3.35Å; I772-Q774 PolarHBondContact O-N 3.38Å; I772-L775 PolarHBondContact O-N 3.41Å; I772-L775 VanDerWaalsContact O-N 3.11Å; I772-K776 WeakPolarHBondContact O-CB 3.36Å; I772-K776 PolarHBondContact O-N 3.41Å; I772-P781 HydrophobicContact CG1-CG 4.08Å; I772-I786 HydrophobicContact CD1-CD1 4.24Å; I772-I786 HydrophobicContact CG1-CD1 3.69Å
773	E	95.1	Very high	94.6	Very high	108 Å²	108	51.3 Å²	51.3	51%	0.505	28%	0.282	S	S	.	.	H	α-helix	trans	-62.8	-38.6	-177.9	-175.2	61.4	-164.2	0	0	112.6	V769 V771 L775 K776	V769-E773 WeakPolarHBondContact O-CB 3.1Å; V769-E773 PolarHBondContact O-N 2.96Å; V771-E773 VanDerWaalsContact C-N 3.33Å; E773-L775 VanDerWaalsContact C-N 3.33Å; E773-L775 PolarHBondContact O-N 3.41Å; E773-K776 VanDerWaalsContact CD-CE 3.47Å; E773-K776 WeakPolarHBondContact O-CG 3.44Å; E773-K776 WeakPolarHBondContact OE1-CE 3.27Å; E773-K776 IonicContact OE1-NZ 2.66Å; E773-K776 PolarHBondContact OE1-NZ 3.49Å; E773-K776 WeakPolarHBondContact OE2-CD 3.38Å; E773-K776 VanDerWaalsContact OE2-CE 3.3Å; E773-K776 WeakPolarHBondContact OE2-CE 3Å; E773-K776 IonicContact OE2-NZ 3.33Å; E773-K776 PolarHBondContact OE2-NZ 2.97Å
774	Q	93.8	Very high	94.6	Very high	77 Å²	77	54.2 Å²	54.2	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-72.6	-22.8	175.5	-74	-169.3	34.4	0	0	113.9	T751 E770 V771 I772	T751-Q774 HydrophobicContact CG2-CB 3.98Å; E770-Q774 WeakPolarHBondContact O-CG 2.99Å; E770-Q774 PolarHBondContact O-N 3.42Å; E770-Q774 VanDerWaalsContact O-N 3.09Å; V771-Q774 PolarHBondContact O-N 2.97Å; I772-Q774 VanDerWaalsContact C-N 3.35Å; I772-Q774 PolarHBondContact O-N 3.38Å
775	L	93.1	Very high	94.4	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-101.8	-19.6	-175.5	-68.8	179.9	0	0	0	114.4	V747 I748 T751 V771 I772 E773 S777 R778 F779 P781	V747-L775 HydrophobicContact CG1-CD2 3.57Å; I748-L775 HydrophobicContact CB-CD1 4.5Å; I748-L775 HydrophobicContact CG1-CD1 3.86Å; T751-L775 HydrophobicContact CG2-CD1 4.49Å; T751-L775 HydrophobicContact CG2-CG 4.25Å; T751-L775 WeakPolarHBondContact OG1-CD2 3.38Å; V771-L775 HydrophobicContact CG1-CD1 3.91Å; V771-L775 WeakPolarHBondContact O-CB 3.3Å; V771-L775 WeakPolarHBondContact O-CG 3.17Å; V771-L775 PolarHBondContact O-N 3.34Å; V771-L775 VanDerWaalsContact O-N 3.16Å; I772-L775 PolarHBondContact O-N 3.41Å; I772-L775 VanDerWaalsContact O-N 3.11Å; E773-L775 VanDerWaalsContact C-N 3.33Å; E773-L775 PolarHBondContact O-N 3.41Å; L775-S777 PolarHBondContact O-N 3.05Å; L775-R778 PolarHBondContact O-N 2.93Å; L775-F779 CarbonylContact C-O 3.6Å; L775-F779 HydrophobicContact CD1-CZ 4.11Å; L775-F779 PolarHBondContact O-N 3.27Å; L775-P781 HydrophobicContact CB-CG 4.23Å; L775-P781 HydrophobicContact CD1-CG 4.05Å
776	K	90.1	Very high	94.5	Very high	97 Å²	97	53 Å²	53	42%	0.422	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.5	-174.2	74.7	-179	179	-175.7	0	115.2	I772 E773 R778	I772-K776 WeakPolarHBondContact O-CB 3.36Å; I772-K776 PolarHBondContact O-N 3.41Å; E773-K776 VanDerWaalsContact CD-CE 3.47Å; E773-K776 WeakPolarHBondContact O-CG 3.44Å; E773-K776 WeakPolarHBondContact OE1-CE 3.27Å; E773-K776 IonicContact OE1-NZ 2.66Å; E773-K776 PolarHBondContact OE1-NZ 3.49Å; E773-K776 WeakPolarHBondContact OE2-CD 3.38Å; E773-K776 VanDerWaalsContact OE2-CE 3.3Å; E773-K776 WeakPolarHBondContact OE2-CE 3Å; E773-K776 IonicContact OE2-NZ 3.33Å; E773-K776 PolarHBondContact OE2-NZ 2.97Å; K776-R778 PolarHBondContact O-N 3.26Å
777	S	87.7	Confident	94.4	Very high	55 Å²	55	52.8 Å²	52.8	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.1	176.4	61.8	0	0	0	0	113.7	K425 L775	K425-S777 VanDerWaalsContact CD-O 3.3Å; K425-S777 WeakPolarHBondContact CD-O 3.35Å; L775-S777 PolarHBondContact O-N 3.05Å
778	R	90.5	Very high	94.4	Very high	59 Å²	59	58 Å²	58	22%	0.223	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-50.4	178.1	-64.8	178.8	175.9	-109.2	-5.5	112.1	K425 D426 V465 L775 K776	K425-R778 WeakPolarHBondContact CA-O 3.35Å; K425-R778 WeakPolarHBondContact CB-O 3.32Å; K425-R778 PolarHBondContact N-O 3.22Å; D426-R778 PolarHBondContact N-O 3.44Å; V465-R778 VanDerWaalsContact CG1-NH2 3.31Å; L775-R778 PolarHBondContact O-N 2.93Å; K776-R778 PolarHBondContact O-N 3.26Å
779	F	93.6	Very high	94.4	Very high	5 Å²	5	59.4 Å²	59.4	2%	0.022	31%	0.307	C	S	.	.			trans	-160.9	160.8	175.5	67.8	-81.6	0	0	0	110.5	Q423 D426 R744 V747 I748 L775 P781	Q423-F779 VanDerWaalsContact O-CA 3.32Å; Q423-F779 WeakPolarHBondContact O-CA 3.47Å; D426-F779 WeakPolarHBondContact OD2-CD1 2.92Å; R744-F779 HydrophobicContact CB-CE1 4.45Å; R744-F779 HydrophobicContact CB-CE2 4.08Å; R744-F779 HydrophobicContact CB-CZ 3.88Å; R744-F779 HydrophobicContact CG-CD1 4.21Å; R744-F779 HydrophobicContact CG-CD2 4.14Å; R744-F779 HydrophobicContact CG-CE1 3.94Å; R744-F779 HydrophobicContact CG-CE2 3.83Å; R744-F779 HydrophobicContact CG-CG 4.31Å; R744-F779 HydrophobicContact CG-CZ 3.74Å; V747-F779 HydrophobicContact CG1-CE1 4.13Å; I748-F779 HydrophobicContact CD1-CE2 4.09Å; I748-F779 HydrophobicContact CD1-CZ 4.19Å; I748-F779 HydrophobicContact CG1-CE2 4.18Å; I748-F779 HydrophobicContact CG1-CZ 3.86Å; L775-F779 CarbonylContact C-O 3.6Å; L775-F779 HydrophobicContact CD1-CZ 4.11Å; L775-F779 PolarHBondContact O-N 3.27Å; F779-P781 HydrophobicContact CD2-CB 4.37Å; F779-P781 HydrophobicContact CE2-CB 3.84Å; F779-P781 HydrophobicContact CE2-CG 4.36Å; F779-P781 WeakPolarHBondContact O-CD 3.5Å
780	V	91.4	Very high	94.4	Very high	76 Å²	76	54.8 Å²	54.8	46%	0.461	28%	0.279	S	S	.	.			trans	-99.6	100.7	177.8	-175	0	0	0	0	109.5	Q423	Q423-V780 HydrophobicContact CB-CG2 4.44Å; Q423-V780 HydrophobicContact CG-CG2 4.46Å
781	P	93.7	Very high	94.3	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.013	28%	0.282	C	S	.	.			trans	-69.4	139.1	177.8	27.1	-33.8	0	0	0	111.2	I748 I772 L775 F779 I786	I748-P781 HydrophobicContact CD1-CB 4.06Å; I748-P781 HydrophobicContact CG1-CB 4.36Å; I772-P781 HydrophobicContact CG1-CG 4.08Å; L775-P781 HydrophobicContact CB-CG 4.23Å; L775-P781 HydrophobicContact CD1-CG 4.05Å; F779-P781 HydrophobicContact CD2-CB 4.37Å; F779-P781 HydrophobicContact CE2-CB 3.84Å; F779-P781 HydrophobicContact CE2-CG 4.36Å; F779-P781 WeakPolarHBondContact O-CD 3.5Å; P781-I786 HydrophobicContact CB-CD1 4.17Å; P781-I786 HydrophobicContact CB-CG1 4.05Å; P781-I786 HydrophobicContact CG-CD1 4.02Å; P781-I786 HydrophobicContact CG-CG1 4.35Å
782	T	93.7	Very high	94.3	Very high	64 Å²	64	56.7 Å²	56.7	39%	0.393	29%	0.291	S	S	.	.			trans	-73.4	149	173.1	66.4	0	0	0	0	110.9	V784 M785 I786	T782-V784 PolarHBondContact O-N 3.35Å; T782-V784 VanDerWaalsContact O-N 3.13Å; T782-M785 WeakPolarHBondContact O-CB 2.9Å; T782-M785 PolarHBondContact O-N 3.22Å; T782-M785 VanDerWaalsContact OG1-CG 3.25Å; T782-M785 WeakPolarHBondContact OG1-CG 3.46Å; T782-M785 PolarHBondContact OG1-N 3.29Å; T782-I786 PolarHBondContact O-N 3.46Å; T782-I786 VanDerWaalsContact O-N 3.14Å
783	P	95.2	Very high	94.3	Very high	77 Å²	77	54.6 Å²	54.6	50%	0.5	28%	0.28	S	S	.	.	H	α-helix	trans	-55	-32.3	174.6	-28	35.7	0	0	0	113.2	V768 I786 K787	V768-P783 HydrophobicContact CG1-CB 4.38Å; P783-I786 PolarHBondContact O-N 2.63Å; P783-K787 WeakPolarHBondContact O-CB 3.35Å; P783-K787 PolarHBondContact O-N 2.91Å
784	V	95.7	Very high	94.4	Very high	96 Å²	96	51.4 Å²	51.4	58%	0.582	27%	0.266	S	S	*	.	H	α-helix	trans	-64.9	-45.3	176.3	-179.7	0	0	0	0	111.4	T782 I786 K787 Q788	T782-V784 PolarHBondContact O-N 3.35Å; T782-V784 VanDerWaalsContact O-N 3.13Å; V784-I786 PolarHBondContact O-N 2.94Å; V784-K787 PolarHBondContact O-N 3.31Å; V784-Q788 WeakPolarHBondContact O-CG 3.45Å; V784-Q788 PolarHBondContact O-N 3.05Å
785	M	94	Very high	94.5	Very high	74 Å²	74	55.2 Å²	55.2	37%	0.365	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176.5	-74.9	171.9	174.4	0	0	111.4	I748 T782 K787 Q788 R789	I748-M785 HydrophobicContact CD1-CB 4.28Å; T782-M785 WeakPolarHBondContact O-CB 2.9Å; T782-M785 PolarHBondContact O-N 3.22Å; T782-M785 VanDerWaalsContact OG1-CG 3.25Å; T782-M785 WeakPolarHBondContact OG1-CG 3.46Å; T782-M785 PolarHBondContact OG1-N 3.29Å; M785-K787 PolarHBondContact O-N 3.44Å; M785-Q788 PolarHBondContact O-N 3.16Å; M785-R789 WeakPolarHBondContact O-CG 3.35Å; M785-R789 PolarHBondContact O-N 3.37Å; M785-R789 VanDerWaalsContact O-N 3.14Å
786	I	96.9	Very high	94.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-46.7	178.2	-62.3	169.2	0	0	0	110.2	I748 I752 V768 V771 I772 P781 T782 P783 V784 Q788 R789 I790	I748-I786 HydrophobicContact CG2-CG1 4.35Å; I752-I786 HydrophobicContact CD1-CG2 4.26Å; V768-I786 HydrophobicContact CG1-CD1 4.12Å; V768-I786 HydrophobicContact CG2-CG2 4.1Å; V771-I786 HydrophobicContact CB-CD1 4.26Å; V771-I786 HydrophobicContact CG1-CD1 3.89Å; V771-I786 HydrophobicContact CG1-CG1 4.07Å; V771-I786 HydrophobicContact CG1-CG2 4.47Å; I772-I786 HydrophobicContact CD1-CD1 4.24Å; I772-I786 HydrophobicContact CG1-CD1 3.69Å; P781-I786 HydrophobicContact CB-CD1 4.17Å; P781-I786 HydrophobicContact CB-CG1 4.05Å; P781-I786 HydrophobicContact CG-CD1 4.02Å; P781-I786 HydrophobicContact CG-CG1 4.35Å; T782-I786 PolarHBondContact O-N 3.46Å; T782-I786 VanDerWaalsContact O-N 3.14Å; P783-I786 PolarHBondContact O-N 2.63Å; V784-I786 PolarHBondContact O-N 2.94Å; I786-Q788 PolarHBondContact O-N 3.13Å; I786-R789 PolarHBondContact O-N 3.38Å; I786-R789 VanDerWaalsContact O-N 3.09Å; I786-I790 HydrophobicContact CG2-CD1 3.92Å; I786-I790 HydrophobicContact CG2-CG1 4.37Å; I786-I790 WeakPolarHBondContact O-CG1 3.37Å; I786-I790 PolarHBondContact O-N 2.84Å
787	K	95.9	Very high	94.9	Very high	112 Å²	112	62.8 Å²	62.8	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-56.6	-48.3	177.7	-175.9	-178.2	176.4	-175.3	0	111.7	P783 V784 M785 R789 I790 E791	P783-K787 WeakPolarHBondContact O-CB 3.35Å; P783-K787 PolarHBondContact O-N 2.91Å; V784-K787 PolarHBondContact O-N 3.31Å; M785-K787 PolarHBondContact O-N 3.44Å; K787-R789 PolarHBondContact O-N 3.02Å; K787-I790 PolarHBondContact O-N 3.35Å; K787-I790 VanDerWaalsContact O-N 3.12Å; K787-E791 PolarHBondContact O-N 2.78Å
788	Q	96.6	Very high	95.2	Very high	108 Å²	108	63.6 Å²	63.6	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-58.5	-36.4	177.5	-72.2	175.9	-6.2	0	0	112.6	V784 M785 I786 S792	V784-Q788 WeakPolarHBondContact O-CG 3.45Å; V784-Q788 PolarHBondContact O-N 3.05Å; M785-Q788 PolarHBondContact O-N 3.16Å; I786-Q788 PolarHBondContact O-N 3.13Å; Q788-S792 PolarHBondContact O-N 2.59Å
789	R	97	Very high	95.5	Very high	46 Å²	46	60.8 Å²	60.8	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-72.2	-36	176.3	-65.8	-52.8	96.6	-178.6	0.8	112.6	I748 E749 I752 M785 I786 K787 S792 L793	I748-R789 HydrophobicContact CB-CG 4.01Å; I748-R789 HydrophobicContact CG2-CB 3.85Å; I748-R789 HydrophobicContact CG2-CG 3.61Å; E749-R789 HydrophobicContact CG-CB 3.96Å; E749-R789 HydrophobicContact CG-CG 4.04Å; E749-R789 WeakPolarHBondContact OE1-CD 3.42Å; E749-R789 IonicContact OE1-CZ 3.62Å; E749-R789 IonicContact OE1-NE 3.59Å; E749-R789 IonicContact OE1-NH1 2.91Å; E749-R789 PolarHBondContact OE1-NH1 3.49Å; I752-R789 HydrophobicContact CD1-CB 3.7Å; M785-R789 WeakPolarHBondContact O-CG 3.35Å; M785-R789 PolarHBondContact O-N 3.37Å; M785-R789 VanDerWaalsContact O-N 3.14Å; I786-R789 PolarHBondContact O-N 3.38Å; I786-R789 VanDerWaalsContact O-N 3.09Å; K787-R789 PolarHBondContact O-N 3.02Å; R789-S792 PolarHBondContact O-N 3.3Å; R789-L793 WeakPolarHBondContact O-CG 3.28Å; R789-L793 PolarHBondContact O-N 3.44Å
790	I	96.9	Very high	95.6	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-47.8	173.7	-67.1	167.6	0	0	0	110.4	I752 L767 I786 K787 S792 L793 I794 L799 Y809	I752-I790 HydrophobicContact CD1-CG1 3.93Å; I752-I790 HydrophobicContact CG2-CG1 4.46Å; L767-I790 HydrophobicContact CD2-CD1 3.69Å; L767-I790 HydrophobicContact CD2-CG1 4.15Å; L767-I790 HydrophobicContact CG-CD1 4.42Å; I786-I790 HydrophobicContact CG2-CD1 3.92Å; I786-I790 HydrophobicContact CG2-CG1 4.37Å; I786-I790 WeakPolarHBondContact O-CG1 3.37Å; I786-I790 PolarHBondContact O-N 2.84Å; K787-I790 PolarHBondContact O-N 3.35Å; K787-I790 VanDerWaalsContact O-N 3.12Å; I790-S792 VanDerWaalsContact C-N 3.32Å; I790-S792 PolarHBondContact O-N 3.11Å; I790-L793 PolarHBondContact O-N 3.27Å; I790-I794 HydrophobicContact CG2-CD1 3.93Å; I790-I794 HydrophobicContact CG2-CG1 4.43Å; I790-I794 WeakPolarHBondContact O-CG1 3.42Å; I790-I794 PolarHBondContact O-N 3.47Å; I790-L799 HydrophobicContact CG2-CD1 4.38Å; I790-Y809 HydrophobicContact CD1-CE2 4.13Å; I790-Y809 HydrophobicContact CG2-CD1 4.26Å; I790-Y809 HydrophobicContact CG2-CE1 3.75Å; I790-Y809 HydrophobicContact CG2-CE2 4.15Å
791	E	96.6	Very high	95.8	Very high	56 Å²	56	62.6 Å²	62.6	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-43.5	178.9	-55.3	-55.2	160.7	0	0	111.1	K787 L793 I794 E795 R801	K787-E791 PolarHBondContact O-N 2.78Å; E791-L793 VanDerWaalsContact C-N 3.27Å; E791-L793 PolarHBondContact O-N 2.91Å; E791-I794 WeakPolarHBondContact O-CB 3.34Å; E791-I794 PolarHBondContact O-N 3.44Å; E791-I794 VanDerWaalsContact O-N 3.1Å; E791-E795 WeakPolarHBondContact O-CG 3.37Å; E791-E795 PolarHBondContact O-N 2.93Å; E791-R801 IonicContact OE1-CZ 3.71Å; E791-R801 IonicContact OE1-NH2 2.84Å; E791-R801 PolarHBondContact OE1-NH2 3.49Å; E791-R801 IonicContact OE2-NH2 2.64Å; E791-R801 PolarHBondContact OE2-NH2 3.09Å
792	S	96.4	Very high	95.8	Very high	27 Å²	27	65.4 Å²	65.4	19%	0.189	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-30	175.2	178.2	0	0	0	0	113.8	Q788 R789 I790 R796	Q788-S792 PolarHBondContact O-N 2.59Å; R789-S792 PolarHBondContact O-N 3.3Å; I790-S792 VanDerWaalsContact C-N 3.32Å; I790-S792 PolarHBondContact O-N 3.11Å; S792-R796 WeakPolarHBondContact O-CG 3.46Å; S792-R796 PolarHBondContact O-N 3.49Å; S792-R796 PolarHBondContact O-NE 3.24Å
793	L	97.2	Very high	95.5	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-78.2	-28.3	175.2	-76.7	167.3	0	0	0	112.4	E749 I752 V753 R789 I790 E791 E797 F798 L799	E749-L793 HydrophobicContact CB-CD1 4.46Å; E749-L793 HydrophobicContact CG-CD1 4.47Å; E749-L793 HydrophobicContact CG-CG 4.47Å; I752-L793 HydrophobicContact CB-CD1 3.78Å; I752-L793 HydrophobicContact CD1-CD1 4.12Å; I752-L793 HydrophobicContact CG2-CD1 3.5Å; V753-L793 HydrophobicContact CG2-CD1 4.07Å; V753-L793 HydrophobicContact CG2-CD2 3.62Å; R789-L793 WeakPolarHBondContact O-CG 3.28Å; R789-L793 PolarHBondContact O-N 3.44Å; I790-L793 PolarHBondContact O-N 3.27Å; E791-L793 VanDerWaalsContact C-N 3.27Å; E791-L793 PolarHBondContact O-N 2.91Å; L793-E797 PolarHBondContact O-N 3.48Å; L793-F798 HydrophobicContact CB-CB 4.34Å; L793-F798 HydrophobicContact CD2-CB 3.96Å; L793-F798 HydrophobicContact CD2-CD2 3.92Å; L793-F798 HydrophobicContact CD2-CG 4.01Å; L793-F798 PolarHBondContact O-N 3.3Å; L793-L799 HydrophobicContact CB-CD1 3.83Å; L793-L799 HydrophobicContact CB-CG 4.17Å; L793-L799 HydrophobicContact CD1-CD1 4.16Å; L793-L799 PolarHBondContact O-N 3.09Å
794	I	96.4	Very high	95.3	Very high	42 Å²	42	75.5 Å²	75.5	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-46.3	172	-66.8	167.8	0	0	0	110.1	I790 E791 R796 E797 L799 R801 Y809	I790-I794 HydrophobicContact CG2-CD1 3.93Å; I790-I794 HydrophobicContact CG2-CG1 4.43Å; I790-I794 WeakPolarHBondContact O-CG1 3.42Å; I790-I794 PolarHBondContact O-N 3.47Å; E791-I794 WeakPolarHBondContact O-CB 3.34Å; E791-I794 PolarHBondContact O-N 3.44Å; E791-I794 VanDerWaalsContact O-N 3.1Å; I794-R796 PolarHBondContact O-N 2.92Å; I794-E797 PolarHBondContact O-N 2.97Å; I794-L799 WeakPolarHBondContact CA-O 3.33Å; I794-L799 HydrophobicContact CG1-CB 3.89Å; I794-R801 HydrophobicContact CD1-CG 4.26Å; I794-Y809 HydrophobicContact CD1-CD1 4.23Å; I794-Y809 HydrophobicContact CD1-CE1 3.97Å
795	E	96.2	Very high	95.2	Very high	157 Å²	157	74.1 Å²	74.1	73%	0.734	35%	0.352	S	S	*	.	H	α-helix	trans	-58.2	-29.8	176.3	-72.7	172.3	-177.2	0	0	112.9	E791	E791-E795 WeakPolarHBondContact O-CG 3.37Å; E791-E795 PolarHBondContact O-N 2.93Å
796	R	96	Very high	95	Very high	108 Å²	108	79.9 Å²	79.9	41%	0.408	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	13.6	176.9	-66.2	-179.3	-65.1	154.9	-11.2	113.7	E749 S792 I794 F798	E749-R796 IonicContact OE1-NH2 3.97Å; E749-R796 IonicContact OE2-CZ 2.73Å; E749-R796 IonicContact OE2-NH1 2.63Å; E749-R796 IonicContact OE2-NH2 3.46Å; E749-R796 PolarHBondContact OE2-NH2 2.98Å; S792-R796 WeakPolarHBondContact O-CG 3.46Å; S792-R796 PolarHBondContact O-N 3.49Å; S792-R796 PolarHBondContact O-NE 3.24Å; I794-R796 PolarHBondContact O-N 2.92Å; R796-F798 HydrophobicContact CB-CD2 3.79Å; R796-F798 HydrophobicContact CB-CE2 4.03Å; R796-F798 WeakPolarHBondContact O-CD2 3.23Å; R796-F798 PolarHBondContact O-N 3.49Å; R796-F798 VanDerWaalsContact O-N 3.13Å
797	E	94.8	Very high	94.8	Very high	153 Å²	153	88.9 Å²	88.9	72%	0.715	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	24.4	175	-53.4	-174.3	148.3	0	0	115.2	L793 I794 L812	L793-E797 PolarHBondContact O-N 3.48Å; I794-E797 PolarHBondContact O-N 2.97Å; E797-L812 WeakPolarHBondContact O-CB 3.36Å; E797-L812 WeakPolarHBondContact O-CD1 3.47Å
798	F	95.4	Very high	94.9	Very high	71 Å²	71	84.8 Å²	84.8	31%	0.311	39%	0.388	S	S	.	.	S	Bend	trans	-80.3	-28.7	169.8	-75.5	-85.7	0	0	0	112	V753 L793 R796 Y811 L812 A813	V753-F798 HydrophobicContact CG2-CD1 4.41Å; L793-F798 HydrophobicContact CB-CB 4.34Å; L793-F798 HydrophobicContact CD2-CB 3.96Å; L793-F798 HydrophobicContact CD2-CD2 3.92Å; L793-F798 HydrophobicContact CD2-CG 4.01Å; L793-F798 PolarHBondContact O-N 3.3Å; R796-F798 HydrophobicContact CB-CD2 3.79Å; R796-F798 HydrophobicContact CB-CE2 4.03Å; R796-F798 WeakPolarHBondContact O-CD2 3.23Å; R796-F798 PolarHBondContact O-N 3.49Å; R796-F798 VanDerWaalsContact O-N 3.13Å; F798-Y811 WeakPolarHBondContact O-CD2 3.46Å; F798-L812 PolarHBondContact O-N 3.12Å; F798-A813 HydrophobicContact CD1-CB 4.03Å; F798-A813 HydrophobicContact CE1-CB 4.46Å
799	L	95.9	Very high	94.9	Very high	1 Å²	1	79.9 Å²	79.9	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.1	-176.6	-58.1	175.4	0	0	0	110.3	I752 M756 I790 L793 I794 K810 Y811	I752-L799 HydrophobicContact CG2-CD1 3.82Å; M756-L799 HydrophobicContact CB-CD2 3.58Å; M756-L799 HydrophobicContact CE-CD2 3.96Å; M756-L799 HydrophobicContact CG-CD1 4.44Å; M756-L799 HydrophobicContact CG-CD2 3.56Å; I790-L799 HydrophobicContact CG2-CD1 4.38Å; L793-L799 HydrophobicContact CB-CD1 3.83Å; L793-L799 HydrophobicContact CB-CG 4.17Å; L793-L799 HydrophobicContact CD1-CD1 4.16Å; L793-L799 PolarHBondContact O-N 3.09Å; I794-L799 WeakPolarHBondContact CA-O 3.33Å; I794-L799 HydrophobicContact CG1-CB 3.89Å; L799-K810 CarbonylContact C-O 3.59Å; L799-K810 VanDerWaalsContact CA-O 3.31Å; L799-K810 WeakPolarHBondContact CA-O 3.4Å; L799-Y811 HydrophobicContact CD2-CD2 3.92Å
800	A	95.5	Very high	94.8	Very high	29 Å²	29	82.5 Å²	82.5	24%	0.24	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	158.3	166.1	0	0	0	0	0	110.5	Y809 K810 L812	A800-Y809 CarbonylContact O-C 3.59Å; A800-Y809 VanDerWaalsContact O-CA 3.27Å; A800-Y809 WeakPolarHBondContact O-CA 3.42Å; A800-K810 PolarHBondContact N-O 3.04Å; A800-K810 PolarHBondContact O-N 3.35Å; A800-L812 HydrophobicContact CB-CD1 3.84Å; A800-L812 HydrophobicContact CB-CD2 4.03Å; A800-L812 HydrophobicContact CB-CG 4.08Å
801	R	96.1	Very high	94.8	Very high	90 Å²	90	83.7 Å²	83.7	34%	0.34	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.4	165.4	-64.3	177.9	-170.1	-104.1	2.7	108.7	E791 I794 R806 V808 Y809	E791-R801 IonicContact OE1-CZ 3.71Å; E791-R801 IonicContact OE1-NH2 2.84Å; E791-R801 PolarHBondContact OE1-NH2 3.49Å; E791-R801 IonicContact OE2-NH2 2.64Å; E791-R801 PolarHBondContact OE2-NH2 3.09Å; I794-R801 HydrophobicContact CD1-CG 4.26Å; R801-R806 PolarHBondContact NH1-O 3Å; R801-V808 WeakPolarHBondContact CA-O 3.36Å; R801-Y809 HydrophobicContact CG-CD1 3.98Å; R801-Y809 HydrophobicContact CG-CE1 3.89Å
802	L	93.3	Very high	94.6	Very high	60 Å²	60	85.2 Å²	85.2	31%	0.314	39%	0.392	S	S	.	.			trans	-65.4	146.5	169.2	-74.2	177.6	0	0	0	109.9	D805 V808 K810	L802-D805 CarbonylContact O-C 3.53Å; L802-V808 HydrophobicContact CD1-CB 3.88Å; L802-V808 HydrophobicContact CD1-CG1 3.47Å; L802-V808 VanDerWaalsContact CD1-CG1 3.47Å; L802-V808 HydrophobicContact CG-CB 4.39Å; L802-V808 HydrophobicContact CG-CG1 4.18Å; L802-V808 PolarHBondContact N-O 3.48Å; L802-K810 HydrophobicContact CD2-CB 4.23Å; L802-K810 HydrophobicContact CD2-CD 4.32Å
803	E	88.5	Confident	93.9	Very high	190 Å²	190	88.5 Å²	88.5	89%	0.888	42%	0.42	S	S	*	.	S	Bend	trans	-65.6	-41.2	179.3	-66.1	-175.1	172.4	0	0	111.1
804	D	90	Very high	93.7	Very high	163 Å²	163	92.8 Å²	92.8	87%	0.872	44%	0.441	S	S	*	.	S	Bend	trans	-75.8	-30.5	-177.3	-53.6	-35.6	0	0	0	113.3
805	D	92.9	Very high	93.6	Very high	68 Å²	68	95.5 Å²	95.5	36%	0.364	45%	0.453	S	S	.	.			trans	-143.9	107.2	177.8	-172.4	-3.2	0	0	0	112.4	L802 R807 V808	L802-D805 CarbonylContact O-C 3.53Å; D805-R807 PolarHBondContact O-N 2.91Å; D805-R807 VanDerWaalsContact O-N 3.1Å; D805-R807 VanDerWaalsContact OD1-CB 3.24Å; D805-R807 WeakPolarHBondContact OD1-CB 3.37Å; D805-R807 WeakPolarHBondContact OD1-CG 3.12Å; D805-R807 PolarHBondContact OD1-N 3.3Å; D805-V808 HydrophobicContact CB-CG2 4.12Å; D805-V808 PolarHBondContact O-N 3.38Å
806	R	90.5	Very high	93.5	Very high	194 Å²	194	92.1 Å²	92.1	73%	0.732	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.1	177.6	-71.9	-172.4	169.8	-166.6	-2.7	114.7	R801 V808	R801-R806 PolarHBondContact NH1-O 3Å; R806-V808 VanDerWaalsContact C-N 3.33Å
807	R	93.6	Very high	93.3	Very high	189 Å²	189	91.1 Å²	91.1	71%	0.713	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8	173.6	-55	178.3	-169.2	-172	4.2	112	S763 H764 D805	S763-R807 CarbonylContact C-O 3.54Å; S763-R807 WeakPolarHBondContact CA-O 3.12Å; H764-R807 PolarHBondContact N-O 3.4Å; D805-R807 PolarHBondContact O-N 2.91Å; D805-R807 VanDerWaalsContact O-N 3.1Å; D805-R807 VanDerWaalsContact OD1-CB 3.24Å; D805-R807 WeakPolarHBondContact OD1-CB 3.37Å; D805-R807 WeakPolarHBondContact OD1-CG 3.12Å; D805-R807 PolarHBondContact OD1-N 3.3Å
808	V	96.2	Very high	93.2	Very high	27 Å²	27	87.3 Å²	87.3	16%	0.164	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.1	177.9	-176.1	0	0	0	0	109.7	R801 L802 D805 R806	R801-V808 WeakPolarHBondContact CA-O 3.36Å; L802-V808 HydrophobicContact CD1-CB 3.88Å; L802-V808 HydrophobicContact CD1-CG1 3.47Å; L802-V808 VanDerWaalsContact CD1-CG1 3.47Å; L802-V808 HydrophobicContact CG-CB 4.39Å; L802-V808 HydrophobicContact CG-CG1 4.18Å; L802-V808 PolarHBondContact N-O 3.48Å; D805-V808 HydrophobicContact CB-CG2 4.12Å; D805-V808 PolarHBondContact O-N 3.38Å; R806-V808 VanDerWaalsContact C-N 3.33Å
809	Y	96.9	Very high	93.1	Very high	4 Å²	4	88.3 Å²	88.3	2%	0.016	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148	176.8	-55.5	-67.6	0	0	0	110.5	M756 T761 L762 H764 L767 I790 I794 A800 R801	M756-Y809 WeakPolarHBondContact CE-O 3.26Å; T761-Y809 VanDerWaalsContact CA-O 3.24Å; T761-Y809 WeakPolarHBondContact CA-O 3.29Å; L762-Y809 PolarHBondContact N-O 3.3Å; L762-Y809 PolarHBondContact O-N 3.49Å; H764-Y809 HydrophobicContact CB-CE2 3.68Å; H764-Y809 AromaticContact CG-CE2 3.98Å; H764-Y809 AromaticContact ND1-CE2 3.48Å; H764-Y809 WeakPolarHBondContact ND1-CE2 3.47Å; H764-Y809 AromaticContact ND1-CZ 3.65Å; H764-Y809 PolarHBondContact ND1-OH 3.47Å; L767-Y809 HydrophobicContact CD2-CD2 3.86Å; L767-Y809 HydrophobicContact CD2-CE2 4.27Å; I790-Y809 HydrophobicContact CD1-CE2 4.13Å; I790-Y809 HydrophobicContact CG2-CD1 4.26Å; I790-Y809 HydrophobicContact CG2-CE1 3.75Å; I790-Y809 HydrophobicContact CG2-CE2 4.15Å; I794-Y809 HydrophobicContact CD1-CD1 4.23Å; I794-Y809 HydrophobicContact CD1-CE1 3.97Å; A800-Y809 CarbonylContact O-C 3.59Å; A800-Y809 VanDerWaalsContact O-CA 3.27Å; A800-Y809 WeakPolarHBondContact O-CA 3.42Å; R801-Y809 HydrophobicContact CG-CD1 3.98Å; R801-Y809 HydrophobicContact CG-CE1 3.89Å
810	K	96	Very high	92.9	Very high	102 Å²	102	94.6 Å²	94.6	44%	0.443	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136	173	178.2	-179.6	175.8	-176	0	109.1	K760 T761 L799 A800 L802	K760-K810 CarbonylContact O-C 3.52Å; K760-K810 WeakPolarHBondContact O-CA 3.44Å; T761-K810 HydrophobicContact CG2-CB 4.28Å; T761-K810 HydrophobicContact CG2-CG 4.33Å; L799-K810 CarbonylContact C-O 3.59Å; L799-K810 VanDerWaalsContact CA-O 3.31Å; L799-K810 WeakPolarHBondContact CA-O 3.4Å; A800-K810 PolarHBondContact N-O 3.04Å; A800-K810 PolarHBondContact O-N 3.35Å; L802-K810 HydrophobicContact CD2-CB 4.23Å; L802-K810 HydrophobicContact CD2-CD 4.32Å
811	Y	96.7	Very high	92.7	Very high	24 Å²	24	99.6 Å²	99.6	9%	0.094	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	135.4	172.9	-173.2	-109.1	0	0	0	111	V753 M756 K757 K760 F798 L799 A813	V753-Y811 HydrophobicContact CG1-CE2 4.12Å; M756-Y811 HydrophobicContact CB-CD2 3.79Å; M756-Y811 HydrophobicContact CB-CG 4.29Å; M756-Y811 WeakPolarHBondContact O-CB 3.41Å; K757-Y811 HydrophobicContact CB-CD1 4.27Å; K757-Y811 HydrophobicContact CB-CE1 3.77Å; K757-Y811 HydrophobicContact CB-CE2 4.13Å; K757-Y811 HydrophobicContact CD-CE1 4.41Å; K757-Y811 HydrophobicContact CG-CE1 3.78Å; K760-Y811 PolarHBondContact O-N 3.47Å; F798-Y811 WeakPolarHBondContact O-CD2 3.46Å; L799-Y811 HydrophobicContact CD2-CD2 3.92Å; Y811-A813 WeakPolarHBondContact CD1-O 3.37Å; Y811-A813 HydrophobicContact CE1-CB 4.24Å; Y811-A813 WeakPolarHBondContact CE1-O 3.48Å; Y811-A813 HydrophobicContact CE2-CB 4.35Å
812	L	92.2	Very high	92.4	Very high	89 Å²	89	100.4 Å²	100.4	47%	0.466	49%	0.488	S	S	.	.			trans	-109.6	-20.6	-172.9	-66	-179	0	0	0	115.1	E797 F798 A800	E797-L812 WeakPolarHBondContact O-CB 3.36Å; E797-L812 WeakPolarHBondContact O-CD1 3.47Å; F798-L812 PolarHBondContact O-N 3.12Å; A800-L812 HydrophobicContact CB-CD1 3.84Å; A800-L812 HydrophobicContact CB-CD2 4.03Å; A800-L812 HydrophobicContact CB-CG 4.08Å
813	A	81.6	Confident	92.3	Very high	95 Å²	95	104.1 Å²	104.1	79%	0.785	50%	0.503	S	S	*	.			trans	-97.8	0	-170.1	0	0	0	0	0	115.5	F798 Y811	F798-A813 HydrophobicContact CD1-CB 4.03Å; F798-A813 HydrophobicContact CE1-CB 4.46Å; Y811-A813 WeakPolarHBondContact CD1-O 3.37Å; Y811-A813 HydrophobicContact CE1-CB 4.24Å; Y811-A813 WeakPolarHBondContact CE1-O 3.48Å; Y811-A813 HydrophobicContact CE2-CB 4.35Å

Retrieved 813 of 813 residues in 205.9 ms (Link to these results)

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