A0A096NKY4_PAPAN Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A096NKY4, Species PAPAN (Papio anubis, Olive baboon), Gene HS3ST6, Length 334 aa.

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(Predicted Aligned Error values between residue pairs)

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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	37.8	Very low	33.6	Very low	237 Å²	237	115.9 Å²	115.9	100%	1.167	88%	0.882	S	S	*	*				0	98.8	0	-62.1	-168.2	-168.3	0	0	106.5
2	A	37.5	Very low	33.2	Very low	108 Å²	108	111.8 Å²	111.8	89%	0.893	87%	0.866	S	S	*	*				71.9	126.6	99.8	0	0	0	0	0	111.4
3	G	33.6	Very low	33.1	Very low	71 Å²	71	118.5 Å²	118.5	73%	0.732	87%	0.871	S	S	*	*			cis	-158	150.7	2.5	0	0	0	0	0	107.9
4	S	34.1	Very low	33.3	Very low	112 Å²	112	116.2 Å²	116.2	78%	0.783	87%	0.872	S	S	*	*				94.4	109.8	76.4	-155.1	0	0	0	0	113.2
5	S	34.2	Very low	33.3	Very low	115 Å²	115	115.4 Å²	115.4	80%	0.804	87%	0.871	S	S	*	*			trans	56.8	127.2	130	62.1	0	0	0	0	122
6	G	31.8	Very low	33.3	Very low	81 Å²	81	113.9 Å²	113.9	84%	0.835	86%	0.864	S	S	*	*			trans	-169.9	84.8	155.6	0	0	0	0	0	112.1
7	L	35.1	Very low	33.5	Very low	189 Å²	189	116.7 Å²	116.7	99%	0.99	86%	0.863	S	S	*	*			trans	-74.4	144.5	168.2	-82.3	153.6	0	0	0	110.4
8	G	32	Very low	33.4	Very low	79 Å²	79	124 Å²	124	81%	0.814	87%	0.867	S	S	*	*			trans	-167.6	94	167.6	0	0	0	0	0	111.2
9	G	31.4	Very low	33.4	Very low	90 Å²	90	123.1 Å²	123.1	93%	0.928	86%	0.856	S	S	*	*			trans	-80	149.4	172.9	0	0	0	0	0	112.3
10	G	29.5	Very low	33.4	Very low	80 Å²	80	123 Å²	123	83%	0.825	86%	0.855	S	S	*	*			trans	-166	109.8	171.4	0	0	0	0	0	110.5
11	A	32.6	Very low	33.8	Very low	113 Å²	113	127.9 Å²	127.9	93%	0.934	86%	0.855	S	S	*	*			trans	-70.7	150.7	179.1	0	0	0	0	0	112.4
12	G	29.2	Very low	33.9	Very low	67 Å²	67	120.3 Å²	120.3	69%	0.691	83%	0.83	S	S	*	*			trans	166.8	86.8	167.3	0	0	0	0	0	117.2
13	Q	31.6	Very low	33.9	Very low	199 Å²	199	119.2 Å²	119.2	93%	0.93	81%	0.814	S	S	*	*			trans	68.4	117.6	141.4	-59.9	176.8	29.2	0	0	119.5
14	G	35.6	Very low	34.3	Very low	86 Å²	86	123.3 Å²	123.3	89%	0.887	82%	0.818	S	S	*	*			trans	-64.7	135.9	170.2	0	0	0	0	0	112.8
15	A	33	Very low	34.4	Very low	104 Å²	104	124.5 Å²	124.5	86%	0.86	82%	0.815	S	S	*	*			trans	-104.8	104.8	166.3	0	0	0	0	0	108.7
16	A	34.7	Very low	34.5	Very low	91 Å²	91	124.8 Å²	124.8	75%	0.752	81%	0.807	S	S	*	*			trans	-55.3	142.1	175.7	0	0	0	0	0	112.4	R18	A16-R18 PolarHBondContact O-N 3.11Å
17	L	35.5	Very low	35	Very low	162 Å²	162	125.4 Å²	125.4	85%	0.848	80%	0.795	S	S	*	*			trans	-49.4	111.7	163.2	-94.1	76.1	0	0	0	109.4	T19	L17-T19 VanDerWaalsContact C-N 3.3Å; L17-T19 PolarHBondContact O-N 2.71Å
18	R	31.7	Very low	35	Very low	248 Å²	248	119.4 Å²	119.4	94%	0.936	77%	0.772	S	S	*	*			trans	-70.4	88.8	167.4	-84.5	-178.2	171.6	-176.8	-1.6	109	A16 S20	A16-R18 PolarHBondContact O-N 3.11Å; R18-S20 PolarHBondContact O-N 3.08Å; R18-S20 VanDerWaalsContact O-N 3.13Å
19	T	33.5	Very low	35.2	Very low	106 Å²	106	121.5 Å²	121.5	65%	0.65	76%	0.764	S	S	*	*			trans	-61.6	109.6	158.2	50.5	0	0	0	0	107.9	L17 R21	L17-T19 VanDerWaalsContact C-N 3.3Å; L17-T19 PolarHBondContact O-N 2.71Å; T19-R21 VanDerWaalsContact C-N 3.28Å; T19-R21 PolarHBondContact O-N 2.89Å
20	S	33.5	Very low	35.5	Very low	121 Å²	121	122.1 Å²	122.1	85%	0.846	75%	0.749	S	S	*	*			trans	-66.5	89.4	171.4	-171.1	0	0	0	0	108.9	R18 A22	R18-S20 PolarHBondContact O-N 3.08Å; R18-S20 VanDerWaalsContact O-N 3.13Å; S20-A22 VanDerWaalsContact C-N 3.28Å; S20-A22 PolarHBondContact O-N 3.44Å
21	R	41.1	Very low	35.9	Very low	227 Å²	227	124.1 Å²	124.1	86%	0.857	74%	0.741	S	S	*	*			trans	-73.4	87.4	166	-75.2	-177.4	173.8	-177.8	-1.6	107.3	T19	T19-R21 VanDerWaalsContact C-N 3.28Å; T19-R21 PolarHBondContact O-N 2.89Å
22	A	40.1	Very low	35.8	Very low	78 Å²	78	120.5 Å²	120.5	65%	0.645	71%	0.714	S	S	*	*			trans	-56	132.4	161.3	0	0	0	0	0	108.2	S20 L24	S20-A22 VanDerWaalsContact C-N 3.28Å; S20-A22 PolarHBondContact O-N 3.44Å; A22-L24 PolarHBondContact O-N 3.47Å
23	P	38.7	Very low	36.1	Very low	84 Å²	84	120 Å²	120	55%	0.545	70%	0.703	S	S	.	*			trans	-70.3	122.5	-170.5	27.3	-31.7	0	0	0	109.5	L25 L26	P23-L25 PolarHBondContact O-N 3.03Å; P23-L26 PolarHBondContact O-N 3.24Å
24	L	42	Very low	36.3	Very low	158 Å²	158	116.5 Å²	116.5	83%	0.827	68%	0.682	S	S	*	*	H	α-helix	trans	-48.8	-16	169.7	-93.4	135.9	0	0	0	113.7	A22	A22-L24 PolarHBondContact O-N 3.47Å
25	L	35.5	Very low	36.5	Very low	136 Å²	136	117.7 Å²	117.7	71%	0.712	68%	0.676	S	S	*	*	H	α-helix	trans	-67.1	-31.4	173.7	-111.8	88.3	0	0	0	114.2	P23 L29	P23-L25 PolarHBondContact O-N 3.03Å; L25-L29 PolarHBondContact O-N 3.11Å
26	L	36.3	Very low	36.5	Very low	121 Å²	121	119.9 Å²	119.9	63%	0.634	67%	0.672	S	S	*	*	H	α-helix	trans	-77.2	-31.5	-176.6	-128.2	95.4	0	0	0	112.4	P23 L29 V30	P23-L26 PolarHBondContact O-N 3.24Å; L26-L29 PolarHBondContact O-N 2.79Å; L26-V30 PolarHBondContact O-N 3.13Å
27	V	41.3	Very low	36.4	Very low	95 Å²	95	126.4 Å²	126.4	58%	0.576	68%	0.678	S	S	*	*	H	α-helix	trans	-74.2	-32.8	177.6	-179.3	0	0	0	0	111.2	V30 L31	V27-V30 PolarHBondContact O-N 2.85Å; V27-L31 HydrophobicContact CG1-CD1 4.22Å; V27-L31 PolarHBondContact O-N 2.95Å
28	A	36.8	Very low	36.4	Very low	62 Å²	62	124.8 Å²	124.8	51%	0.512	67%	0.674	S	S	.	*	H	α-helix	trans	-67	-34.3	174.2	0	0	0	0	0	112.7	G32	A28-G32 PolarHBondContact O-N 2.61Å
29	L	36.2	Very low	36.6	Very low	124 Å²	124	120 Å²	120	65%	0.649	67%	0.666	S	S	*	*	H	α-helix	trans	-72.5	-31.4	177.3	-79.4	164.7	0	0	0	113	L25 L26 A33	L25-L29 PolarHBondContact O-N 3.11Å; L26-L29 PolarHBondContact O-N 2.79Å; L29-A33 VanDerWaalsContact O-CB 3.3Å; L29-A33 WeakPolarHBondContact O-CB 3.44Å; L29-A33 PolarHBondContact O-N 3.41Å; L29-A33 VanDerWaalsContact O-N 3.13Å
30	V	37.4	Very low	37	Very low	103 Å²	103	120 Å²	120	62%	0.624	67%	0.668	S	S	*	*	H	α-helix	trans	-75.7	-33	175.1	-179	0	0	0	0	112	L26 V27	L26-V30 PolarHBondContact O-N 3.13Å; V27-V30 PolarHBondContact O-N 2.85Å
31	L	38.2	Very low	37.8	Very low	122 Å²	122	115.6 Å²	115.6	64%	0.639	64%	0.642	S	S	*	*	H	α-helix	trans	-77.1	-37.1	174	-71.9	168.3	0	0	0	112.7	V27 Y34	V27-L31 HydrophobicContact CG1-CD1 4.22Å; V27-L31 PolarHBondContact O-N 2.95Å; L31-Y34 WeakPolarHBondContact O-CB 3.41Å; L31-Y34 PolarHBondContact O-N 2.88Å
32	G	30.8	Very low	39	Very low	36 Å²	36	116.1 Å²	116.1	37%	0.371	64%	0.644	S	S	.	*	H	α-helix	trans	-67	-35.2	175.7	0	0	0	0	0	113.5	A28 Y34 C35	A28-G32 PolarHBondContact O-N 2.61Å; G32-Y34 PolarHBondContact O-N 3.25Å; G32-C35 PolarHBondContact O-N 3.4Å
33	A	34.2	Very low	40.4	Very low	56 Å²	56	114.6 Å²	114.6	46%	0.463	63%	0.628	S	S	.	*	H	α-helix	trans	-69.2	-20.4	174.1	0	0	0	0	0	113.4	L29 C35	L29-A33 VanDerWaalsContact O-CB 3.3Å; L29-A33 WeakPolarHBondContact O-CB 3.44Å; L29-A33 PolarHBondContact O-N 3.41Å; L29-A33 VanDerWaalsContact O-N 3.13Å; A33-C35 VanDerWaalsContact C-N 3.34Å
34	Y	36.8	Very low	41.5	Very low	126 Å²	126	112.3 Å²	112.3	49%	0.494	61%	0.613	S	S	.	*	H	α-helix	trans	-74.3	-26.1	175.2	-137.2	-97.3	0	0	0	112.8	L31 G32 L193	L31-Y34 WeakPolarHBondContact O-CB 3.41Å; L31-Y34 PolarHBondContact O-N 2.88Å; G32-Y34 PolarHBondContact O-N 3.25Å; Y34-L193 WeakPolarHBondContact OH-CD2 3.5Å
35	C	40	Very low	41.9	Very low	111 Å²	111	110.4 Å²	110.4	75%	0.75	61%	0.61	S	S	*	*	H	α-helix	trans	-85.2	-17	177.4	-82	0	0	0	0	114.1	G32 A33	G32-C35 PolarHBondContact O-N 3.4Å; A33-C35 VanDerWaalsContact C-N 3.34Å
36	L	32.5	Very low	42.5	Very low	150 Å²	150	105.8 Å²	105.8	79%	0.785	59%	0.591	S	S	*	*	S	Bend	trans	-113.5	9.8	-167.8	-99	127.3	0	0	0	116.8
37	R	31.8	Very low	43.2	Very low	229 Å²	229	103.4 Å²	103.4	86%	0.864	59%	0.589	S	S	*	*			trans	-113.3	35.9	172.9	-71.6	-171.9	179.2	171.5	1.2	114.8
38	V	36.7	Very low	43	Very low	127 Å²	127	110.3 Å²	110.3	77%	0.77	61%	0.605	S	S	*	*			trans	-95.2	85.4	154	-174.6	0	0	0	0	106.8
39	L	34.9	Very low	42.9	Very low	148 Å²	148	112 Å²	112	78%	0.775	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-50.3	128.5	160.9	-73.6	168.9	0	0	0	106.9	G41	L39-G41 PolarHBondContact O-N 3.49Å
40	P	42.2	Very low	42.7	Very low	106 Å²	106	113.9 Å²	113.9	69%	0.688	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-52.8	120.4	175.2	20.2	-29.7	0	0	0	107	R42	P40-R42 PolarHBondContact O-N 3.07Å
41	G	50.3	Low	42.5	Very low	29 Å²	29	112.7 Å²	112.7	30%	0.299	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-52.3	118.7	-175.6	0	0	0	0	0	108.7	L39 C43	L39-G41 PolarHBondContact O-N 3.49Å; G41-C43 PolarHBondContact O-N 3.01Å
42	R	65.9	Low	42.2	Very low	238 Å²	238	113.2 Å²	113.2	90%	0.898	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-52.5	131.2	-173.2	-69.1	-178.1	176.8	-177.7	-1.7	109.9	P40	P40-R42 PolarHBondContact O-N 3.07Å
43	C	70.2	Confident	42.4	Very low	46 Å²	46	115.5 Å²	115.5	31%	0.311	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-57.6	135.4	171.9	-65.5	0	0	0	0	109.3	G41 C121	G41-C43 PolarHBondContact O-N 3.01Å; C43-C121 WeakPolarHBondContact CA-SG 3.43Å; C43-C121 HydrophobicContact CB-CB 4.09Å; C43-C121 WeakPolarHBondContact CB-SG 3.44Å; C43-C121 WeakPolarHBondContact SG-CB 3.48Å; C43-C121 CovalentContact SG-SG 2.04Å; C43-C121 PolarHBondContact SG-SG 3.22Å
44	P	62	Low	42.4	Very low	36 Å²	36	118.3 Å²	118.3	23%	0.234	67%	0.669	C	S	.	*	P	Polyproline II helix	trans	-54.2	136	174.8	-22.6	31.1	0	0	0	110.1	A46 R124	P44-A46 PolarHBondContact O-N 3.22Å; P44-R124 PolarHBondContact O-NH1 3.36Å
45	P	49.5	Very low	42.3	Very low	118 Å²	118	120.8 Å²	120.8	77%	0.766	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-58.3	137.7	174.9	23.5	-30.9	0	0	0	109.2
46	A	49.5	Very low	42.1	Very low	38 Å²	38	121 Å²	121	31%	0.314	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-70.9	146.6	172.7	0	0	0	0	0	108.6	P44 R48	P44-A46 PolarHBondContact O-N 3.22Å; A46-R48 PolarHBondContact O-N 3.32Å
47	A	51	Low	42.1	Very low	71 Å²	71	119.4 Å²	119.4	59%	0.587	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-61.4	124.8	156	0	0	0	0	0	106.5	A49	A47-A49 PolarHBondContact O-N 3.31Å
48	R	35.8	Very low	42	Very low	240 Å²	240	117.1 Å²	117.1	91%	0.906	69%	0.69	S	S	*	*			trans	-54.2	109.6	171.6	-90.6	178.8	163.2	174.6	-5.4	107.1	A46 L50	A46-R48 PolarHBondContact O-N 3.32Å; R48-L50 PolarHBondContact O-N 3.39Å; R48-L50 VanDerWaalsContact O-N 3.13Å
49	A	35.5	Very low	42.4	Very low	97 Å²	97	116.3 Å²	116.3	80%	0.802	69%	0.688	S	S	*	*			trans	-68.5	105.6	159.1	0	0	0	0	0	105	A47 A51	A47-A49 PolarHBondContact O-N 3.31Å; A49-A51 PolarHBondContact O-N 2.89Å
50	L	32.4	Very low	42.5	Very low	165 Å²	165	114.9 Å²	114.9	86%	0.864	69%	0.688	S	S	*	*			trans	-57.8	131.7	166.1	-83.1	148	0	0	0	107	R48	R48-L50 PolarHBondContact O-N 3.39Å; R48-L50 VanDerWaalsContact O-N 3.13Å
51	A	32.8	Very low	42.2	Very low	78 Å²	78	114.9 Å²	114.9	65%	0.645	69%	0.69	S	S	*	*			trans	-52.5	150.3	163.1	0	0	0	0	0	108.7	A49 A53	A49-A51 PolarHBondContact O-N 2.89Å; A51-A53 PolarHBondContact O-N 3.47Å
52	P	32.3	Very low	41.6	Very low	132 Å²	132	118.8 Å²	118.8	86%	0.857	71%	0.713	S	S	*	*			trans	-61.5	107.1	173.7	9.8	-3.9	0	0	0	108
53	A	34.8	Very low	40	Very low	84 Å²	84	113.5 Å²	113.5	69%	0.694	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-73.1	141	167.5	0	0	0	0	0	108	A51	A51-A53 PolarHBondContact O-N 3.47Å
54	P	33.7	Very low	38.3	Very low	115 Å²	115	123.2 Å²	123.2	75%	0.747	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-61.5	141.2	171	8.5	-1	0	0	0	109.3	P56	P54-P56 WeakPolarHBondContact O-CD 3.43Å
55	L	35.3	Very low	36.8	Very low	179 Å²	179	132.7 Å²	132.7	94%	0.937	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-52.5	128.9	179.1	-77.4	158.4	0	0	0	111.4
56	P	34.1	Very low	36.3	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	77%	0.773	S	S	*	*			trans	-117.5	143	155.6	9.4	14.9	0	0	0	110.9	P54	P54-P56 WeakPolarHBondContact O-CD 3.43Å
57	S	32.8	Very low	35.9	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	80%	0.8	S	S	*	*			trans	-46.4	149.6	176.7	44.5	0	0	0	0	116
58	E	31.2	Very low	35	Very low	180 Å²	180	136.2 Å²	136.2	84%	0.841	80%	0.803	S	S	*	*			trans	-60.8	168.6	160.6	-67.5	-154.4	152	0	0	111.8
59	P	44.3	Very low	35.1	Very low	111 Å²	111	131 Å²	131	72%	0.721	80%	0.801	S	S	*	*			cis	-133.1	-153.3	6	34.7	-9.8	0	0	0	110.9
60	P	36.3	Very low	35	Very low	118 Å²	118	133.8 Å²	133.8	77%	0.766	80%	0.802	S	S	*	*			cis	-129.7	-179.1	-4.9	39.7	-19	0	0	0	116.3
61	S	36.4	Very low	35.4	Very low	105 Å²	105	134 Å²	134	73%	0.734	80%	0.803	S	S	*	*			trans	-51.5	143.6	179.3	51.3	0	0	0	0	117.9
62	S	38.2	Very low	36.3	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	81%	0.808	S	S	*	*				129.9	152.4	128.3	74.7	0	0	0	0	117.5
63	V	32.1	Very low	37.1	Very low	126 Å²	126	134.3 Å²	134.3	76%	0.764	80%	0.797	S	S	*	*			trans	91.6	97.7	167.7	-161.2	0	0	0	0	117.9
64	R	34.2	Very low	37.8	Very low	251 Å²	251	133.5 Å²	133.5	95%	0.947	79%	0.79	S	S	*	*			trans	-76.1	130.4	160.3	-90.6	179.1	169.1	-171.2	-2.6	110.2
65	R	31.5	Very low	38.7	Very low	235 Å²	235	134 Å²	134	89%	0.887	80%	0.796	S	S	*	*			trans	-111.4	136.5	157.5	-76.9	-172.7	173.1	-173.4	-1	109.9
66	P	37.3	Very low	40.1	Very low	136 Å²	136	127.1 Å²	127.1	88%	0.883	77%	0.769	S	S	*	*			trans	-90.7	138.5	179.7	34	-29.8	0	0	0	111.5
67	G	41.1	Very low	42.3	Very low	84 Å²	84	127 Å²	127	87%	0.866	77%	0.767	S	S	*	*			trans	136.7	71.9	164.4	0	0	0	0	0	116.2
68	A	33.1	Very low	45	Very low	80 Å²	80	122.9 Å²	122.9	66%	0.661	74%	0.744	S	S	*	*	S	Bend	trans	-159.3	145.9	154.7	0	0	0	0	0	109.2	D70	A68-D70 PolarHBondContact O-N 3.34Å
69	P	37	Very low	48.1	Very low	131 Å²	131	120.5 Å²	120.5	85%	0.851	73%	0.727	S	S	*	*			trans	-70.2	115.5	-177	27.6	-32.4	0	0	0	111	L71	P69-L71 PolarHBondContact O-N 3.31Å
70	D	34.1	Very low	50.6	Low	156 Å²	156	118.9 Å²	118.9	83%	0.834	71%	0.707	S	S	*	*			trans	-57.2	118.3	-178.2	-69.5	-49.2	0	0	0	112.8	A68 P72	A68-D70 PolarHBondContact O-N 3.34Å; D70-P72 WeakPolarHBondContact O-CD 3.32Å
71	L	41.3	Very low	53.4	Low	170 Å²	170	117 Å²	117	89%	0.89	69%	0.685	S	S	*	*			trans	-78.9	115.5	155.5	-75.8	166.8	0	0	0	107.6	P69	P69-L71 PolarHBondContact O-N 3.31Å
72	P	51.2	Low	56.4	Low	113 Å²	113	115.1 Å²	115.1	73%	0.734	66%	0.663	S	S	*	*			trans	-87.8	141.5	-179.7	35	-32	0	0	0	110.8	D70	D70-P72 WeakPolarHBondContact O-CD 3.32Å
73	V	50.1	Low	59.2	Low	103 Å²	103	110 Å²	110	62%	0.624	63%	0.627	S	S	*	*			trans	96.1	81.5	152.9	-158.5	0	0	0	0	117.2
74	A	48.6	Very low	62.4	Low	67 Å²	67	107.6 Å²	107.6	55%	0.554	61%	0.608	S	S	*	*	S	Bend	trans	-115.1	-15.1	151.7	0	0	0	0	0	113.8
75	S	53.5	Low	65.5	Low	124 Å²	124	95.7 Å²	95.7	87%	0.867	56%	0.563	S	S	*	*	S	Bend	trans	-114	75.1	-166.6	5.9	0	0	0	0	111.9
76	G	64	Low	68.7	Low	36 Å²	36	84.5 Å²	84.5	37%	0.371	52%	0.521	S	S	.	.	S	Bend	trans	-151.6	159.2	171.8	0	0	0	0	0	110.8	R135	G76-R135 VanDerWaalsContact O-CD 3.22Å; G76-R135 WeakPolarHBondContact O-CD 3.41Å
77	P	79.5	Confident	71.6	Confident	111 Å²	111	78 Å²	78	72%	0.721	48%	0.479	S	S	*	.	S	Bend	trans	-61.2	157.9	-179.7	26.1	-34	0	0	0	112.1	L137	P77-L137 HydrophobicContact CB-CD2 4.22Å; P77-L137 HydrophobicContact CG-CD2 4.48Å
78	G	90.4	Very high	74.4	Confident	32 Å²	32	74 Å²	74	33%	0.33	44%	0.437	S	S	.	.	S	Bend	trans	101.9	-179.6	178.4	0	0	0	0	0	115.2	R135 T136	G78-R135 PolarHBondContact O-NH1 3.02Å; G78-T136 CarbonylContact C-O 3.32Å; G78-T136 VanDerWaalsContact CA-O 3.26Å; G78-T136 WeakPolarHBondContact CA-O 3.26Å
79	R	95.3	Very high	77.5	Confident	129 Å²	129	70.2 Å²	70.2	49%	0.487	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.6	-174.4	55.7	-175.9	153.8	-160.7	-8	112	R81 R135 T136 D138	R79-R81 HydrophobicContact CG-CG 4.11Å; R79-R81 PolarHBondContact O-N 2.8Å; R79-R135 WeakPolarHBondContact O-CA 3.35Å; R79-T136 PolarHBondContact N-O 2.93Å; R79-T136 PolarHBondContact O-N 2.97Å; R79-T136 PolarHBondContact O-OG1 3.39Å; R79-D138 IonicContact CZ-OD1 2.79Å; R79-D138 IonicContact NE-OD1 3.98Å; R79-D138 IonicContact NH2-OD1 3.71Å; R79-D138 PolarHBondContact NH2-OD1 2.91Å; R79-D138 IonicContact NH2-OD2 2.65Å; R79-D138 PolarHBondContact NH2-OD2 3.16Å
80	R	96.7	Very high	80.4	Confident	78 Å²	78	64 Å²	64	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.1	173.2	-60.4	-172.1	-172.9	-113.6	12.9	108.8	R130 S131 M133 R135	R80-R130 HydrophobicContact CB-CG 4.32Å; R80-S131 PolarHBondContact NH1-O 2.83Å; R80-M133 VanDerWaalsContact CD-O 3.24Å; R80-M133 WeakPolarHBondContact CD-O 3.44Å; R80-M133 VanDerWaalsContact CG-O 3.26Å; R80-M133 WeakPolarHBondContact CG-O 3.28Å; R80-M133 PolarHBondContact NH1-O 2.83Å; R80-R135 HydrophobicContact CG-CG 4.04Å
81	R	96.6	Very high	83.5	Confident	78 Å²	78	59.7 Å²	59.7	29%	0.294	34%	0.34	S	S	.	.			trans	-109	158.2	178.1	-63.4	178	173.6	-92.7	19.7	109.6	R79 M133 D138	R79-R81 HydrophobicContact CG-CG 4.11Å; R79-R81 PolarHBondContact O-N 2.8Å; R81-M133 VanDerWaalsContact O-CB 3.27Å; R81-M133 WeakPolarHBondContact O-CB 3.35Å; R81-M133 VanDerWaalsContact O-CG 3.28Å; R81-M133 WeakPolarHBondContact O-CG 3.09Å; R81-D138 IonicContact CZ-OD1 3.24Å; R81-D138 IonicContact NE-OD1 3.67Å; R81-D138 IonicContact NH2-OD1 3.11Å; R81-D138 PolarHBondContact NH2-OD1 2.97Å
82	F	98.3	Very high	86.2	Confident	66 Å²	66	53.3 Å²	53.3	29%	0.289	31%	0.305	S	S	.	.			trans	-65.6	152.7	166.3	-69	-65.5	0	0	0	110	L126 Y129 R130 M162	F82-L126 HydrophobicContact CE1-CB 4.08Å; F82-L126 HydrophobicContact CE1-CD2 4.23Å; F82-L126 WeakPolarHBondContact CE1-O 3.28Å; F82-L126 HydrophobicContact CZ-CB 3.9Å; F82-Y129 AromaticContact CD1-CD1 3.95Å; F82-Y129 HydrophobicContact CD1-CD1 3.95Å; F82-Y129 HydrophobicContact CD1-CE1 4.38Å; F82-Y129 HydrophobicContact CE1-CD1 4.13Å; F82-R130 HydrophobicContact CD1-CB 4.13Å; F82-R130 HydrophobicContact CE1-CB 3.59Å; F82-R130 HydrophobicContact CE1-CG 4.27Å; F82-R130 HydrophobicContact CZ-CB 3.92Å; F82-R130 HydrophobicContact CZ-CG 4.38Å; F82-M162 HydrophobicContact CB-SD 4.4Å; F82-M162 HydrophobicContact CD1-SD 3.83Å; F82-M162 HydrophobicContact CE1-SD 4.35Å; F82-M162 HydrophobicContact CG-SD 4.19Å
83	P	98.3	Very high	88.4	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.026	27%	0.272	C	S	.	.			trans	-58.8	139.8	172.9	-23.4	34.9	0	0	0	111.6	L86 Y129 M133 T142 E144 M166	P83-L86 HydrophobicContact CB-CD2 3.64Å; P83-L86 HydrophobicContact CG-CD2 3.95Å; P83-Y129 HydrophobicContact CG-CE1 4.19Å; P83-M133 HydrophobicContact CG-CE 4.11Å; P83-M133 HydrophobicContact CG-CG 4.47Å; P83-M133 HydrophobicContact CG-SD 3.6Å; P83-T142 WeakPolarHBondContact CA-O 3.28Å; P83-T142 HydrophobicContact CG-CG2 4.4Å; P83-E144 HydrophobicContact CG-CG 4.06Å; P83-M166 WeakPolarHBondContact O-CE 3.26Å
84	Q	98.5	Very high	90.7	Very high	76 Å²	76	44.5 Å²	44.5	36%	0.355	26%	0.255	S	S	.	.	S	Bend	trans	-95.5	-14	168.3	-56.9	88.1	-13.3	0	0	111.7	I141 T142 M166 K167	Q84-I141 HydrophobicContact CB-CG2 4.32Å; Q84-T142 PolarHBondContact N-O 3.28Å; Q84-T142 VanDerWaalsContact N-O 3.09Å; Q84-T142 PolarHBondContact OE1-O 3.47Å; Q84-M166 VanDerWaalsContact C-SD 3.52Å; Q84-K167 PolarHBondContact O-N 3.47Å
85	A	98.8	Very high	93.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.6	173.6	0	0	0	0	0	112.1	M143 K167 L259	A85-M143 HydrophobicContact CB-CE 3.95Å; A85-M143 HydrophobicContact CB-CG 4.3Å; A85-M143 WeakPolarHBondContact O-CA 3.46Å; A85-K167 CarbonylContact C-O 3.6Å; A85-K167 WeakPolarHBondContact CA-O 3.48Å; A85-K167 HydrophobicContact CB-CB 3.95Å; A85-L259 HydrophobicContact CB-CD2 3.41Å; A85-L259 VanDerWaalsContact CB-CD2 3.41Å
86	L	98.9	Very high	95.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.3	-179.9	-59.6	177.4	0	0	0	111.3	P83 V88 F118 E144 I159 M166 K167 L168 I169	P83-L86 HydrophobicContact CB-CD2 3.64Å; P83-L86 HydrophobicContact CG-CD2 3.95Å; L86-V88 HydrophobicContact CB-CG1 3.67Å; L86-V88 HydrophobicContact CD1-CG1 4.46Å; L86-V88 PolarHBondContact O-N 3.3Å; L86-F118 HydrophobicContact CD1-CE2 4.1Å; L86-E144 HydrophobicContact CD2-CG 3.45Å; L86-E144 VanDerWaalsContact CD2-CG 3.45Å; L86-I159 HydrophobicContact CD1-CD1 3.87Å; L86-I159 HydrophobicContact CD1-CG1 4.04Å; L86-I159 HydrophobicContact CD1-CG2 3.77Å; L86-M166 HydrophobicContact CD1-CE 4.14Å; L86-M166 HydrophobicContact CD1-CG 4.12Å; L86-M166 HydrophobicContact CD1-SD 4.09Å; L86-M166 HydrophobicContact CG-CE 4.19Å; L86-M166 HydrophobicContact CG-CG 4.19Å; L86-M166 HydrophobicContact CG-SD 3.69Å; L86-K167 PolarHBondContact N-O 2.87Å; L86-L168 HydrophobicContact CB-CD2 4.31Å; L86-L168 HydrophobicContact CD1-CD2 4.47Å; L86-I169 PolarHBondContact O-N 2.91Å
87	I	98.9	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	94.3	164.5	-53.9	175	0	0	0	108.1	T95 L98 L99 L102 M143 E144 K145 T146 I169 V171	I87-T95 HydrophobicContact CG2-CG2 3.9Å; I87-L98 HydrophobicContact CD1-CB 4.46Å; I87-L98 HydrophobicContact CD1-CD2 4.05Å; I87-L98 HydrophobicContact CD1-CG 4.11Å; I87-L99 HydrophobicContact CD1-CB 4.03Å; I87-L99 HydrophobicContact CD1-CD1 3.79Å; I87-L102 HydrophobicContact CD1-CD1 4.35Å; I87-M143 HydrophobicContact CG1-CE 4.21Å; I87-E144 PolarHBondContact N-O 3.27Å; I87-K145 HydrophobicContact CB-CB 3.96Å; I87-K145 HydrophobicContact CB-CG 3.84Å; I87-K145 HydrophobicContact CD1-CB 4.48Å; I87-K145 HydrophobicContact CG2-CG 3.94Å; I87-K145 WeakPolarHBondContact O-CA 3.45Å; I87-T146 PolarHBondContact O-N 2.88Å; I87-T146 VanDerWaalsContact O-N 3.11Å; I87-I169 CarbonylContact C-O 3.54Å; I87-I169 WeakPolarHBondContact CA-O 3.37Å; I87-I169 HydrophobicContact CG1-CB 4.21Å; I87-I169 HydrophobicContact CG1-CD1 4.44Å; I87-I169 HydrophobicContact CG1-CG2 4.45Å; I87-V171 HydrophobicContact CG2-CG2 4.16Å
88	V	98.9	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-15.6	-169.2	-59	0	0	0	0	113.7	L86 T146 P147 Y149 F150 I159 L168 I169 V170 W227	L86-V88 HydrophobicContact CB-CG1 3.67Å; L86-V88 HydrophobicContact CD1-CG1 4.46Å; L86-V88 PolarHBondContact O-N 3.3Å; V88-T146 CarbonylContact C-O 3.33Å; V88-P147 CarbonylContact O-C 3.53Å; V88-P147 WeakPolarHBondContact O-CA 3.3Å; V88-Y149 HydrophobicContact CG1-CD2 4.25Å; V88-F150 HydrophobicContact CG2-CD2 4.25Å; V88-F150 WeakPolarHBondContact O-CB 3.4Å; V88-F150 PolarHBondContact O-N 2.94Å; V88-I159 HydrophobicContact CG1-CD1 4.49Å; V88-L168 HydrophobicContact CG1-CD2 3.79Å; V88-I169 PolarHBondContact N-O 2.99Å; V88-V170 HydrophobicContact CG2-CG2 3.82Å; V88-W227 HydrophobicContact CB-CH2 3.86Å; V88-W227 HydrophobicContact CB-CZ2 4.04Å; V88-W227 HydrophobicContact CG1-CH2 3.72Å; V88-W227 HydrophobicContact CG1-CZ2 4.4Å; V88-W227 HydrophobicContact CG1-CZ3 4.34Å; V88-W227 HydrophobicContact CG2-CH2 4.05Å; V88-W227 HydrophobicContact CG2-CZ2 4.08Å
89	G	98.6	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	180	-175	0	0	0	0	0	114.6	T95 V170 V171	G89-T95 WeakPolarHBondContact O-CG2 3.39Å; G89-V170 CarbonylContact O-C 3.43Å; G89-V170 WeakPolarHBondContact O-CA 3.24Å; G89-V171 PolarHBondContact O-N 3.29Å
90	V	98.6	Very high	98	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	12%	0.123	C	C	.	.			cis	-99.4	158.8	-12.5	-55.5	0	0	0	0	111.3	K92 G93 T95 F150 V170 V171 R178 I217 Y220	V90-K92 PolarHBondContact O-N 2.88Å; V90-K92 VanDerWaalsContact O-N 3.16Å; V90-G93 PolarHBondContact O-N 2.65Å; V90-T95 WeakPolarHBondContact O-CG2 3.46Å; V90-F150 HydrophobicContact CG1-CD1 3.44Å; V90-F150 VanDerWaalsContact CG1-CD1 3.44Å; V90-F150 HydrophobicContact CG1-CE1 3.75Å; V90-F150 HydrophobicContact CG1-CG 4.06Å; V90-V170 HydrophobicContact CG1-CG1 3.8Å; V90-V171 WeakPolarHBondContact CG2-O 3.42Å; V90-V171 PolarHBondContact N-O 3.47Å; V90-R178 HydrophobicContact CG2-CG 4.38Å; V90-I217 HydrophobicContact CB-CG2 4.46Å; V90-Y220 HydrophobicContact CB-CE1 4.27Å; V90-Y220 HydrophobicContact CG1-CD1 4.08Å; V90-Y220 HydrophobicContact CG1-CE1 3.9Å; V90-Y220 HydrophobicContact CG2-CE1 3.85Å
91	K	98.5	Very high	98.1	Very high	66 Å²	66	22.7 Å²	22.7	29%	0.287	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	125.5	171.6	-167.9	-167.5	178	-164.1	0	109.1	G93 P147 R178 D182 I217	K91-G93 VanDerWaalsContact C-N 3.29Å; K91-G93 PolarHBondContact O-N 2.88Å; K91-P147 HydrophobicContact CB-CB 4.31Å; K91-R178 WeakPolarHBondContact O-CG 3.27Å; K91-R178 PolarHBondContact O-NH1 2.9Å; K91-D182 WeakPolarHBondContact CD-OD2 3.2Å; K91-D182 WeakPolarHBondContact CE-OD1 3.14Å; K91-D182 IonicContact NZ-OD1 2.65Å; K91-D182 PolarHBondContact NZ-OD1 2.9Å; K91-D182 IonicContact NZ-OD2 3.72Å; K91-D182 PolarHBondContact NZ-OD2 3.33Å; K91-I217 HydrophobicContact CB-CD1 4.45Å; K91-I217 HydrophobicContact CD-CD1 4.01Å
92	K	98.1	Very high	98.1	Very high	36 Å²	36	19 Å²	19	16%	0.157	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	8.3	-176.7	-43.1	-56.8	-60.2	-171.2	0	116.4	V90 R178 S181 D182	V90-K92 PolarHBondContact O-N 2.88Å; V90-K92 VanDerWaalsContact O-N 3.16Å; K92-R178 HydrophobicContact CB-CG 4.08Å; K92-S181 VanDerWaalsContact CE-O 3.24Å; K92-S181 WeakPolarHBondContact CE-O 3.43Å; K92-S181 WeakPolarHBondContact CE-OG 3.36Å; K92-D182 HydrophobicContact CG-CB 3.92Å
93	G	97.9	Very high	98	Very high	4 Å²	4	18.1 Å²	18.1	4%	0.041	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.5	177.5	0	0	0	0	0	115.1	V90 K91 V171	V90-G93 PolarHBondContact O-N 2.65Å; K91-G93 VanDerWaalsContact C-N 3.29Å; K91-G93 PolarHBondContact O-N 2.88Å; G93-V171 WeakPolarHBondContact CA-O 3.26Å; G93-V171 WeakPolarHBondContact O-CG1 3.43Å
94	G	97.7	Very high	97.9	Very high	27 Å²	27	19.2 Å²	19.2	28%	0.278	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	123.9	5.6	-174.7	0	0	0	0	0	113.9	R96 A97 L98	G94-R96 VanDerWaalsContact C-N 3.25Å; G94-R96 PolarHBondContact O-N 3.37Å; G94-A97 WeakPolarHBondContact O-CA 3.24Å; G94-A97 VanDerWaalsContact O-CB 3.31Å; G94-A97 WeakPolarHBondContact O-CB 3.41Å; G94-A97 PolarHBondContact O-N 2.97Å; G94-L98 PolarHBondContact O-N 3.19Å; G94-L98 VanDerWaalsContact O-N 3.15Å
95	T	98.1	Very high	97.8	Very high	9 Å²	9	15.6 Å²	15.6	6%	0.055	8%	0.079	C	C	.	.	H	α-helix	trans	-48.2	-40.7	-175.3	64.9	0	0	0	0	114.3	I87 G89 V90 L98 L99 K145 P147 V171	I87-T95 HydrophobicContact CG2-CG2 3.9Å; G89-T95 WeakPolarHBondContact O-CG2 3.39Å; V90-T95 WeakPolarHBondContact O-CG2 3.46Å; T95-L98 PolarHBondContact O-N 3.3Å; T95-L99 PolarHBondContact O-N 3.4Å; T95-K145 WeakPolarHBondContact O-CD 3.33Å; T95-K145 PolarHBondContact OG1-NZ 3.44Å; T95-K145 VanDerWaalsContact OG1-NZ 3.15Å; T95-P147 HydrophobicContact CG2-CB 4.32Å; T95-P147 HydrophobicContact CG2-CG 4.13Å; T95-P147 VanDerWaalsContact OG1-CG 3.29Å; T95-P147 WeakPolarHBondContact OG1-CG 3.37Å; T95-V171 HydrophobicContact CG2-CB 4.06Å; T95-V171 HydrophobicContact CG2-CG2 4.12Å
96	R	96.9	Very high	97.7	Very high	70 Å²	70	19.1 Å²	19.1	26%	0.264	10%	0.102	S	C	.	.	H	α-helix	trans	-67.6	-38.3	178.3	-178.2	57.8	177.1	-134.6	8.3	112.2	G94 E100 G112 L293	G94-R96 VanDerWaalsContact C-N 3.25Å; G94-R96 PolarHBondContact O-N 3.37Å; R96-E100 HydrophobicContact CG-CG 4.48Å; R96-E100 IonicContact CZ-OE1 2.85Å; R96-E100 IonicContact NE-OE1 2.92Å; R96-E100 PolarHBondContact NE-OE1 3.08Å; R96-E100 IonicContact NH2-OE1 3.92Å; R96-E100 PolarHBondContact NH2-OE1 3.34Å; R96-E100 WeakPolarHBondContact O-CG 3.35Å; R96-E100 PolarHBondContact O-N 3.29Å; R96-E100 VanDerWaalsContact O-N 3.15Å; R96-G112 PolarHBondContact NH1-O 3.34Å; R96-L293 HydrophobicContact CG-CD2 4.46Å
97	A	97.2	Very high	97.7	Very high	17 Å²	17	22.1 Å²	22.1	14%	0.14	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-51.1	176.2	0	0	0	0	0	109.5	G94 L99 E100 F101 L244 L293	G94-A97 WeakPolarHBondContact O-CA 3.24Å; G94-A97 VanDerWaalsContact O-CB 3.31Å; G94-A97 WeakPolarHBondContact O-CB 3.41Å; G94-A97 PolarHBondContact O-N 2.97Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 3.4Å; A97-E100 PolarHBondContact O-N 3.25Å; A97-E100 VanDerWaalsContact O-N 3.13Å; A97-F101 HydrophobicContact CB-CE2 4.16Å; A97-F101 HydrophobicContact CB-CZ 4.05Å; A97-F101 WeakPolarHBondContact O-CD1 3.46Å; A97-F101 WeakPolarHBondContact O-CG 3.36Å; A97-F101 PolarHBondContact O-N 2.99Å; A97-L244 HydrophobicContact CB-CD2 4.17Å; A97-L293 HydrophobicContact CB-CD1 3.7Å
98	L	98.6	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.4	-47.6	179.3	-179.3	60	0	0	0	112.4	I87 G94 T95 E100 F101 L102 I169 V171 V239 L244 V252 V255	I87-L98 HydrophobicContact CD1-CB 4.46Å; I87-L98 HydrophobicContact CD1-CD2 4.05Å; I87-L98 HydrophobicContact CD1-CG 4.11Å; G94-L98 PolarHBondContact O-N 3.19Å; G94-L98 VanDerWaalsContact O-N 3.15Å; T95-L98 PolarHBondContact O-N 3.3Å; L98-E100 PolarHBondContact O-N 3.19Å; L98-F101 PolarHBondContact O-N 2.77Å; L98-L102 HydrophobicContact CD1-CD1 4.02Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.89Å; L98-L102 HydrophobicContact CG-CG 4.33Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.15Å; L98-I169 HydrophobicContact CD2-CG2 3.69Å; L98-V171 HydrophobicContact CB-CG2 4.11Å; L98-V171 HydrophobicContact CD2-CG2 3.4Å; L98-V171 HydrophobicContact CG-CG2 4.39Å; L98-V239 HydrophobicContact CD2-CG1 4.39Å; L98-V239 HydrophobicContact CD2-CG2 4.11Å; L98-L244 HydrophobicContact CB-CD2 3.94Å; L98-L244 HydrophobicContact CD1-CD1 4.24Å; L98-V252 HydrophobicContact CD1-CG2 4.25Å; L98-V255 HydrophobicContact CD1-CG2 4.05Å; L98-V255 HydrophobicContact CD2-CG2 4.47Å
99	L	98.2	Very high	97.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-41.5	179.4	-167.1	73.2	0	0	0	112.5	I87 T95 A97 F101 R103 A110 K145	I87-L99 HydrophobicContact CD1-CB 4.03Å; I87-L99 HydrophobicContact CD1-CD1 3.79Å; T95-L99 PolarHBondContact O-N 3.4Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 3.4Å; L99-F101 VanDerWaalsContact C-N 3.3Å; L99-F101 PolarHBondContact O-N 3.28Å; L99-R103 WeakPolarHBondContact O-CG 3.47Å; L99-R103 PolarHBondContact O-N 3.31Å; L99-R103 VanDerWaalsContact O-N 3.13Å; L99-A110 HydrophobicContact CD1-CB 3.66Å; L99-A110 HydrophobicContact CD2-CB 4.35Å; L99-A110 HydrophobicContact CG-CB 4.08Å; L99-K145 HydrophobicContact CB-CD 4.09Å; L99-K145 HydrophobicContact CD1-CB 4.39Å; L99-K145 HydrophobicContact CD2-CB 3.97Å; L99-K145 HydrophobicContact CD2-CD 4.2Å
100	E	96.6	Very high	97.5	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.075	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-32.8	177.2	-64.4	-70.4	143	0	0	111.9	R96 A97 L98 R291 L293	R96-E100 HydrophobicContact CG-CG 4.48Å; R96-E100 IonicContact CZ-OE1 2.85Å; R96-E100 IonicContact NE-OE1 2.92Å; R96-E100 PolarHBondContact NE-OE1 3.08Å; R96-E100 IonicContact NH2-OE1 3.92Å; R96-E100 PolarHBondContact NH2-OE1 3.34Å; R96-E100 WeakPolarHBondContact O-CG 3.35Å; R96-E100 PolarHBondContact O-N 3.29Å; R96-E100 VanDerWaalsContact O-N 3.15Å; A97-E100 PolarHBondContact O-N 3.25Å; A97-E100 VanDerWaalsContact O-N 3.13Å; L98-E100 PolarHBondContact O-N 3.19Å; E100-R291 IonicContact OE2-CZ 3.3Å; E100-R291 IonicContact OE2-NH1 2.66Å; E100-R291 PolarHBondContact OE2-NH1 3.4Å; E100-L293 HydrophobicContact CB-CD2 4.44Å; E100-L293 HydrophobicContact CG-CD2 3.96Å
101	F	97.6	Very high	97.4	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-71.5	-43.9	177.5	-59.6	-9.9	0	0	0	111.3	A97 L98 L99 R103 L104 L244 P248 V252 F270 P279 L281	A97-F101 HydrophobicContact CB-CE2 4.16Å; A97-F101 HydrophobicContact CB-CZ 4.05Å; A97-F101 WeakPolarHBondContact O-CD1 3.46Å; A97-F101 WeakPolarHBondContact O-CG 3.36Å; A97-F101 PolarHBondContact O-N 2.99Å; L98-F101 PolarHBondContact O-N 2.77Å; L99-F101 VanDerWaalsContact C-N 3.3Å; L99-F101 PolarHBondContact O-N 3.28Å; F101-R103 VanDerWaalsContact C-N 3.26Å; F101-R103 PolarHBondContact O-N 3.03Å; F101-L104 VanDerWaalsContact O-CB 3.25Å; F101-L104 WeakPolarHBondContact O-CB 3.31Å; F101-L104 WeakPolarHBondContact O-CG 3.38Å; F101-L104 PolarHBondContact O-N 3.17Å; F101-L104 VanDerWaalsContact O-N 3.11Å; F101-L244 HydrophobicContact CD2-CD1 3.89Å; F101-L244 HydrophobicContact CD2-CG 4.45Å; F101-L244 HydrophobicContact CE2-CD1 4.03Å; F101-L244 HydrophobicContact CE2-CG 4.15Å; F101-P248 HydrophobicContact CD2-CB 4.24Å; F101-P248 HydrophobicContact CE2-CB 3.82Å; F101-V252 HydrophobicContact CB-CG2 3.79Å; F101-V252 HydrophobicContact CD2-CG2 4.05Å; F101-V252 HydrophobicContact CG-CG2 4.43Å; F101-F270 HydrophobicContact CB-CE1 4.12Å; F101-F270 HydrophobicContact CB-CZ 4.17Å; F101-F270 AromaticContact CD1-CE1 3.73Å; F101-F270 HydrophobicContact CD1-CE1 3.73Å; F101-F270 AromaticContact CD2-CE1 3.77Å; F101-F270 HydrophobicContact CD2-CE1 3.77Å; F101-F270 HydrophobicContact CD2-CZ 4.18Å; F101-F270 HydrophobicContact CE1-CD1 4.45Å; F101-F270 AromaticContact CE1-CE1 3.98Å; F101-F270 HydrophobicContact CE1-CE1 3.98Å; F101-F270 HydrophobicContact CE2-CE1 4.03Å; F101-F270 AromaticContact CG-CE1 3.61Å; F101-F270 HydrophobicContact CG-CE1 3.61Å; F101-F270 HydrophobicContact CG-CZ 4.09Å; F101-F270 HydrophobicContact CZ-CD1 4.48Å; F101-F270 HydrophobicContact CZ-CE1 4.12Å; F101-P279 HydrophobicContact CZ-CG 4.33Å; F101-L281 HydrophobicContact CD1-CD2 3.42Å; F101-L281 VanDerWaalsContact CD1-CD2 3.42Å; F101-L281 HydrophobicContact CD1-CG 4.23Å; F101-L281 HydrophobicContact CE1-CD2 3.68Å; F101-L281 HydrophobicContact CE1-CG 4.29Å; F101-L281 HydrophobicContact CG-CD2 4.4Å
102	L	97.6	Very high	97	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-31.8	176.5	-69.4	170.7	0	0	0	112.7	I87 L98 L104 H105 V108 M143 V252 V255	I87-L102 HydrophobicContact CD1-CD1 4.35Å; L98-L102 HydrophobicContact CD1-CD1 4.02Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.89Å; L98-L102 HydrophobicContact CG-CG 4.33Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.15Å; L102-L104 PolarHBondContact O-N 3.25Å; L102-L104 VanDerWaalsContact O-N 3.1Å; L102-H105 VanDerWaalsContact O-CB 3.27Å; L102-H105 WeakPolarHBondContact O-CB 3.11Å; L102-H105 PolarHBondContact O-N 2.9Å; L102-V108 HydrophobicContact CB-CG1 4.25Å; L102-V108 WeakPolarHBondContact O-CB 3.33Å; L102-M143 HydrophobicContact CD1-CE 3.92Å; L102-M143 HydrophobicContact CD1-SD 4.2Å; L102-V252 HydrophobicContact CD2-CG1 4.15Å; L102-V255 HydrophobicContact CD1-CG1 3.87Å; L102-V255 HydrophobicContact CD2-CB 4.07Å; L102-V255 HydrophobicContact CD2-CG1 3.58Å; L102-V255 HydrophobicContact CG-CG1 4.31Å
103	R	96.3	Very high	96.9	Very high	47 Å²	47	25 Å²	25	18%	0.177	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.1	175.3	-77	174.5	75.9	126.3	5.7	114.1	L99 F101 H105 A110 Q285	L99-R103 WeakPolarHBondContact O-CG 3.47Å; L99-R103 PolarHBondContact O-N 3.31Å; L99-R103 VanDerWaalsContact O-N 3.13Å; F101-R103 VanDerWaalsContact C-N 3.26Å; F101-R103 PolarHBondContact O-N 3.03Å; R103-H105 VanDerWaalsContact C-N 3.26Å; R103-A110 HydrophobicContact CG-CB 4Å; R103-A110 PolarHBondContact NH1-O 3.4Å; R103-Q285 WeakPolarHBondContact O-CG 3.49Å; R103-Q285 PolarHBondContact O-NE2 3.24Å
104	L	95.6	Very high	96.9	Very high	28 Å²	28	28.1 Å²	28.1	15%	0.147	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.9	168.7	-63.1	177.3	0	0	0	112.4	F101 L102 V265 H269 L281 K283	F101-L104 VanDerWaalsContact O-CB 3.25Å; F101-L104 WeakPolarHBondContact O-CB 3.31Å; F101-L104 WeakPolarHBondContact O-CG 3.38Å; F101-L104 PolarHBondContact O-N 3.17Å; F101-L104 VanDerWaalsContact O-N 3.11Å; L102-L104 PolarHBondContact O-N 3.25Å; L102-L104 VanDerWaalsContact O-N 3.1Å; L104-V265 HydrophobicContact CB-CG1 4.45Å; L104-V265 HydrophobicContact CB-CG2 3.79Å; L104-V265 HydrophobicContact CD1-CG1 4.05Å; L104-H269 HydrophobicContact CD1-CB 3.81Å; L104-L281 HydrophobicContact CD1-CD2 3.69Å; L104-L281 HydrophobicContact CD2-CD1 4.24Å; L104-L281 HydrophobicContact CG-CD1 4.49Å; L104-L281 HydrophobicContact CG-CD2 4.47Å; L104-K283 WeakPolarHBondContact CD2-O 3.01Å
105	H	97.2	Very high	96.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-72	131.5	178.3	-165.1	-76.5	0	0	0	110.3	L102 R103 D107 V108 Q256 K262 V265	L102-H105 VanDerWaalsContact O-CB 3.27Å; L102-H105 WeakPolarHBondContact O-CB 3.11Å; L102-H105 PolarHBondContact O-N 2.9Å; R103-H105 VanDerWaalsContact C-N 3.26Å; H105-D107 IonicContact CE1-OD2 3.91Å; H105-D107 PolarHBondContact CE1-OD2 2.93Å; H105-D107 VanDerWaalsContact CE1-OD2 3.31Å; H105-D107 PolarHBondContact ND1-N 2.92Å; H105-D107 IonicContact ND1-OD2 3.08Å; H105-D107 PolarHBondContact O-N 3.26Å; H105-V108 HydrophobicContact CB-CB 4.16Å; H105-V108 HydrophobicContact CB-CG2 3.81Å; H105-V108 PolarHBondContact O-N 2.84Å; H105-V108 VanDerWaalsContact O-N 3.12Å; H105-Q256 PolarHBondContact CD2-OE1 3.07Å; H105-K262 PolarHBondContact CD2-O 2.94Å; H105-K262 PolarHBondContact NE2-O 3.45Å; H105-V265 HydrophobicContact CB-CG2 4.14Å
106	P	96.4	Very high	96.9	Very high	74 Å²	74	27.7 Å²	27.7	48%	0.481	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.9	-178.4	23.8	-34	0	0	0	112.9	V108 Q140	P106-V108 VanDerWaalsContact C-N 3.32Å; P106-V108 PolarHBondContact O-N 3.16Å; P106-Q140 PolarHBondContact O-NE2 3.4Å
107	D	97.9	Very high	96.9	Very high	62 Å²	62	24.4 Å²	24.4	33%	0.332	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	11.5	179.9	-53.3	-38.6	0	0	0	114.4	H105 Q140 I141 L261	H105-D107 IonicContact CE1-OD2 3.91Å; H105-D107 PolarHBondContact CE1-OD2 2.93Å; H105-D107 VanDerWaalsContact CE1-OD2 3.31Å; H105-D107 PolarHBondContact ND1-N 2.92Å; H105-D107 IonicContact ND1-OD2 3.08Å; H105-D107 PolarHBondContact O-N 3.26Å; D107-Q140 CarbonylContact O-C 3.57Å; D107-Q140 WeakPolarHBondContact O-CA 3.26Å; D107-I141 PolarHBondContact O-N 3.49Å; D107-L261 HydrophobicContact CB-CD2 3.94Å
108	V	97.9	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.3	175.8	176.2	0	0	0	0	110.9	L102 H105 P106 M143 L261	L102-V108 HydrophobicContact CB-CG1 4.25Å; L102-V108 WeakPolarHBondContact O-CB 3.33Å; H105-V108 HydrophobicContact CB-CB 4.16Å; H105-V108 HydrophobicContact CB-CG2 3.81Å; H105-V108 PolarHBondContact O-N 2.84Å; H105-V108 VanDerWaalsContact O-N 3.12Å; P106-V108 VanDerWaalsContact C-N 3.32Å; P106-V108 PolarHBondContact O-N 3.16Å; V108-M143 HydrophobicContact CG1-CG 4.48Å; V108-M143 HydrophobicContact CG1-SD 3.86Å; V108-L261 HydrophobicContact CG2-CD1 3.46Å; V108-L261 VanDerWaalsContact CG2-CD1 3.46Å
109	R	97.7	Very high	97	Very high	50 Å²	50	25 Å²	25	19%	0.189	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.8	170.8	-60.6	-62	-64.4	126.6	0.5	108.9	P134 T136 Q140 I141 T142 M143	R109-P134 HydrophobicContact CB-CB 4.35Å; R109-P134 HydrophobicContact CB-CG 3.87Å; R109-T136 HydrophobicContact CB-CG2 3.53Å; R109-T136 HydrophobicContact CG-CG2 3.65Å; R109-Q140 HydrophobicContact CG-CB 4.48Å; R109-I141 PolarHBondContact N-O 3.26Å; R109-T142 CarbonylContact O-C 3.59Å; R109-T142 VanDerWaalsContact O-CA 3.26Å; R109-T142 WeakPolarHBondContact O-CA 3.32Å; R109-M143 PolarHBondContact O-N 2.91Å
110	A	96.9	Very high	96.9	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.025	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.3	-176.7	0	0	0	0	0	113.2	L99 R103 G112 M143	L99-A110 HydrophobicContact CD1-CB 3.66Å; L99-A110 HydrophobicContact CD2-CB 4.35Å; L99-A110 HydrophobicContact CG-CB 4.08Å; R103-A110 HydrophobicContact CG-CB 4Å; R103-A110 PolarHBondContact NH1-O 3.4Å; A110-G112 PolarHBondContact O-N 3.41Å; A110-M143 CarbonylContact C-O 3.56Å; A110-M143 WeakPolarHBondContact CA-O 3.39Å; A110-M143 HydrophobicContact CB-CB 4.2Å
111	L	96.2	Very high	97	Very high	19 Å²	19	30.2 Å²	30.2	10%	0.099	16%	0.158	C	C	.	.			trans	-62.1	128.8	166.8	-176.5	55.9	0	0	0	109.6	P115 L132 M133 M143 E144	L111-P115 HydrophobicContact CD2-CB 3.82Å; L111-P115 HydrophobicContact CD2-CG 3.98Å; L111-L132 HydrophobicContact CD1-CB 4.45Å; L111-L132 WeakPolarHBondContact CD1-O 3.21Å; L111-L132 HydrophobicContact CD2-CB 3.91Å; L111-L132 HydrophobicContact CD2-CD1 4.37Å; L111-M133 HydrophobicContact CD2-CE 3.91Å; L111-M143 PolarHBondContact N-O 2.77Å; L111-E144 HydrophobicContact CB-CB 4.05Å
112	G	90.9	Very high	97	Very high	33 Å²	33	33 Å²	33	34%	0.34	17%	0.169	S	C	.	.	S	Bend	trans	-76.5	-27.3	-175.3	0	0	0	0	0	114.3	R96 A110	R96-G112 PolarHBondContact NH1-O 3.34Å; A110-G112 PolarHBondContact O-N 3.41Å
113	S	94.5	Very high	97	Very high	60 Å²	60	41 Å²	41	42%	0.42	21%	0.206	S	C	.	.	S	Bend	trans	-95.9	167.6	176.8	52.3	0	0	0	0	111.5	P115	S113-P115 WeakPolarHBondContact O-CD 3.48Å
114	E	97.9	Very high	97	Very high	68 Å²	68	43.3 Å²	43.3	32%	0.318	22%	0.215	S	C	.	.			trans	-88.7	111.5	171.3	-52.3	-173.2	171.3	0	0	107.2	H116 K145 P147	E114-H116 VanDerWaalsContact C-N 3.3Å; E114-H116 PolarHBondContact O-N 3.08Å; E114-H116 IonicContact OE2-NE2 2.62Å; E114-K145 WeakPolarHBondContact CG-O 3.16Å; E114-K145 IonicContact OE1-NZ 3.91Å; E114-K145 PolarHBondContact OE1-NZ 3.14Å; E114-P147 WeakPolarHBondContact OE2-CD 3.31Å
115	P	97.3	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.			trans	-67.9	-27.7	-173.1	22.8	-33.7	0	0	0	113.7	L111 S113 F117 Y129 L132 E144 T146	L111-P115 HydrophobicContact CD2-CB 3.82Å; L111-P115 HydrophobicContact CD2-CG 3.98Å; S113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-F117 PolarHBondContact O-N 3.13Å; P115-Y129 HydrophobicContact CB-CD2 4.4Å; P115-Y129 HydrophobicContact CB-CE2 4.04Å; P115-Y129 HydrophobicContact CG-CE2 4Å; P115-L132 HydrophobicContact CB-CD1 3.89Å; P115-E144 WeakPolarHBondContact CD-OE2 3.29Å; P115-E144 HydrophobicContact CG-CB 4.07Å; P115-E144 HydrophobicContact CG-CG 3.86Å; P115-E144 VanDerWaalsContact CG-OE1 3.22Å; P115-E144 WeakPolarHBondContact CG-OE1 3.27Å; P115-E144 WeakPolarHBondContact CG-OE2 3.47Å; P115-T146 WeakPolarHBondContact CD-OG1 3.4Å
116	H	98.4	Very high	97.2	Very high	27 Å²	27	46.8 Å²	46.8	13%	0.125	24%	0.241	C	C	.	.			trans	52.9	35.9	-175.6	-73.1	-71	0	0	0	113.6	E114 D119 R120 C121 T146 S148	E114-H116 VanDerWaalsContact C-N 3.3Å; E114-H116 PolarHBondContact O-N 3.08Å; E114-H116 IonicContact OE2-NE2 2.62Å; H116-D119 WeakPolarHBondContact CA-OD1 3.45Å; H116-D119 VanDerWaalsContact CB-OD1 3.22Å; H116-D119 WeakPolarHBondContact CB-OD1 3.2Å; H116-D119 IonicContact CE1-OD2 3.67Å; H116-D119 IonicContact CG-OD1 3.41Å; H116-D119 IonicContact CG-OD2 3.25Å; H116-D119 IonicContact ND1-OD1 2.9Å; H116-D119 PolarHBondContact ND1-OD1 3.43Å; H116-D119 IonicContact ND1-OD2 3.58Å; H116-D119 PolarHBondContact ND1-OD2 2.66Å; H116-R120 HydrophobicContact CB-CB 4.16Å; H116-R120 HydrophobicContact CB-CG 4.25Å; H116-R120 PolarHBondContact NE2-NH1 2.92Å; H116-R120 PolarHBondContact O-N 3.3Å; H116-C121 WeakPolarHBondContact O-CB 3.3Å; H116-C121 PolarHBondContact O-N 3Å; H116-T146 WeakPolarHBondContact ND1-CG2 3.36Å; H116-S148 PolarHBondContact CE1-OG 3Å; H116-S148 VanDerWaalsContact CE1-OG 3.28Å; H116-S148 PolarHBondContact ND1-OG 2.89Å
117	F	98.7	Very high	97.3	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-54.2	-177	177.4	-117.2	0	0	0	111.3	P115 D119 C121 Y122 G125 L126 W128 Y129 Y149	P115-F117 PolarHBondContact O-N 3.13Å; F117-D119 PolarHBondContact O-N 2.96Å; F117-C121 WeakPolarHBondContact CD2-O 3.35Å; F117-C121 CarbonylContact O-C 3.51Å; F117-C121 PolarHBondContact O-N 3.24Å; F117-Y122 HydrophobicContact CD1-CD2 4.4Å; F117-Y122 AromaticContact CE1-CD2 3.88Å; F117-Y122 HydrophobicContact CE1-CD2 3.88Å; F117-Y122 AromaticContact CE1-CE2 3.99Å; F117-Y122 HydrophobicContact CE1-CE2 3.99Å; F117-Y122 HydrophobicContact CE2-CD2 4.25Å; F117-Y122 WeakPolarHBondContact CE2-O 3.49Å; F117-Y122 AromaticContact CZ-CD2 3.8Å; F117-Y122 HydrophobicContact CZ-CD2 3.8Å; F117-Y122 HydrophobicContact CZ-CE2 4.05Å; F117-Y122 WeakPolarHBondContact O-CA 3.19Å; F117-Y122 WeakPolarHBondContact O-CB 3.32Å; F117-Y122 PolarHBondContact O-N 3.08Å; F117-G125 WeakPolarHBondContact CE2-O 3.38Å; F117-L126 HydrophobicContact CE1-CD2 3.66Å; F117-L126 HydrophobicContact CZ-CD2 3.82Å; F117-L126 HydrophobicContact CZ-CG 4.4Å; F117-W128 HydrophobicContact CB-CZ3 4.14Å; F117-W128 AromaticContact CD2-CE3 3.71Å; F117-W128 HydrophobicContact CD2-CE3 3.71Å; F117-W128 AromaticContact CD2-CZ3 3.66Å; F117-W128 HydrophobicContact CD2-CZ3 3.66Å; F117-W128 HydrophobicContact CE2-CE3 4.23Å; F117-W128 HydrophobicContact CG-CZ3 4.32Å; F117-Y129 HydrophobicContact CB-CD2 3.35Å; F117-Y129 HydrophobicContact CB-CE2 3.58Å; F117-Y129 HydrophobicContact CB-CG 4.06Å; F117-Y129 AromaticContact CD1-CD1 3.67Å; F117-Y129 HydrophobicContact CD1-CD1 3.67Å; F117-Y129 AromaticContact CD1-CD2 3.63Å; F117-Y129 HydrophobicContact CD1-CD2 3.63Å; F117-Y129 HydrophobicContact CD1-CE1 4.07Å; F117-Y129 AromaticContact CD1-CE2 4Å; F117-Y129 HydrophobicContact CD1-CE2 4Å; F117-Y129 AromaticContact CD1-CG 3.43Å; F117-Y129 HydrophobicContact CD1-CG 3.43Å; F117-Y129 VanDerWaalsContact CD1-CG 3.43Å; F117-Y129 HydrophobicContact CD2-CD2 4.22Å; F117-Y129 HydrophobicContact CD2-CG 4.19Å; F117-Y129 AromaticContact CE1-CD1 3.91Å; F117-Y129 HydrophobicContact CE1-CD1 3.91Å; F117-Y129 HydrophobicContact CE1-CD2 4.49Å; F117-Y129 AromaticContact CE1-CG 3.87Å; F117-Y129 HydrophobicContact CE1-CG 3.87Å; F117-Y129 HydrophobicContact CG-CD1 4.32Å; F117-Y129 AromaticContact CG-CD2 3.46Å; F117-Y129 HydrophobicContact CG-CD2 3.46Å; F117-Y129 VanDerWaalsContact CG-CD2 3.46Å; F117-Y129 HydrophobicContact CG-CE2 4.02Å; F117-Y129 AromaticContact CG-CG 3.61Å; F117-Y129 HydrophobicContact CG-CG 3.61Å; F117-Y129 HydrophobicContact CZ-CG 4.39Å; F117-Y149 PolarHBondContact N-OH 2.99Å
118	F	98.7	Very high	97.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.6	-174.5	-62.1	-68.9	0	0	0	114.8	L86 Y122 Y129 Y149 A155 R158 I159 M162	L86-F118 HydrophobicContact CD1-CE2 4.1Å; F118-Y122 HydrophobicContact CD1-CD2 4.01Å; F118-Y122 AromaticContact CD1-CE2 3.92Å; F118-Y122 HydrophobicContact CD1-CE2 3.92Å; F118-Y122 HydrophobicContact CE1-CE2 4.15Å; F118-Y129 AromaticContact CE2-CE1 3.92Å; F118-Y129 HydrophobicContact CE2-CE1 3.92Å; F118-Y129 AromaticContact CE2-CZ 3.79Å; F118-Y129 HydrophobicContact CZ-CE1 4Å; F118-Y149 HydrophobicContact CB-CD1 4.03Å; F118-Y149 HydrophobicContact CB-CE1 3.7Å; F118-Y149 HydrophobicContact CB-CE2 4.33Å; F118-Y149 HydrophobicContact CB-CG 4.48Å; F118-Y149 HydrophobicContact CD2-CD2 4.31Å; F118-Y149 HydrophobicContact CD2-CE1 4.36Å; F118-Y149 AromaticContact CD2-CE2 3.61Å; F118-Y149 HydrophobicContact CD2-CE2 3.61Å; F118-Y149 AromaticContact CD2-CZ 3.64Å; F118-Y149 HydrophobicContact CG-CE2 4.45Å; F118-Y149 PolarHBondContact N-OH 3.48Å; F118-A155 HydrophobicContact CB-CB 4.26Å; F118-R158 HydrophobicContact CD1-CB 3.65Å; F118-R158 HydrophobicContact CE1-CB 4.25Å; F118-R158 PolarHBondContact O-NH1 3.07Å; F118-I159 HydrophobicContact CB-CD1 4.4Å; F118-I159 HydrophobicContact CB-CG1 4.18Å; F118-I159 HydrophobicContact CD1-CG1 3.8Å; F118-I159 HydrophobicContact CD2-CD1 3.94Å; F118-I159 HydrophobicContact CD2-CG1 3.44Å; F118-I159 VanDerWaalsContact CD2-CG1 3.44Å; F118-I159 HydrophobicContact CE1-CG1 3.93Å; F118-I159 HydrophobicContact CE2-CD1 4.42Å; F118-I159 HydrophobicContact CE2-CG1 3.62Å; F118-I159 HydrophobicContact CG-CD1 4.16Å; F118-I159 HydrophobicContact CG-CG1 3.53Å; F118-I159 HydrophobicContact CZ-CG1 3.84Å; F118-M162 HydrophobicContact CE2-CE 4.35Å; F118-M162 HydrophobicContact CZ-CB 4.45Å; F118-M162 HydrophobicContact CZ-CE 3.78Å; F118-M162 HydrophobicContact CZ-SD 3.75Å
119	D	97.8	Very high	97.3	Very high	31 Å²	31	44.6 Å²	44.6	17%	0.166	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-45.4	177	64.5	-20	0	0	0	114.2	H116 F117 S148 Y149 T152	H116-D119 WeakPolarHBondContact CA-OD1 3.45Å; H116-D119 VanDerWaalsContact CB-OD1 3.22Å; H116-D119 WeakPolarHBondContact CB-OD1 3.2Å; H116-D119 IonicContact CE1-OD2 3.67Å; H116-D119 IonicContact CG-OD1 3.41Å; H116-D119 IonicContact CG-OD2 3.25Å; H116-D119 IonicContact ND1-OD1 2.9Å; H116-D119 PolarHBondContact ND1-OD1 3.43Å; H116-D119 IonicContact ND1-OD2 3.58Å; H116-D119 PolarHBondContact ND1-OD2 2.66Å; F117-D119 PolarHBondContact O-N 2.96Å; D119-S148 WeakPolarHBondContact OD2-CB 3.41Å; D119-S148 PolarHBondContact OD2-OG 2.78Å; D119-Y149 HydrophobicContact CB-CD1 4.12Å; D119-Y149 HydrophobicContact CB-CE1 4.29Å; D119-Y149 WeakPolarHBondContact OD1-CE1 3.44Å; D119-T152 HydrophobicContact CB-CG2 3.82Å; D119-T152 VanDerWaalsContact CB-OG1 3.32Å; D119-T152 WeakPolarHBondContact CB-OG1 3.44Å
120	R	97.3	Very high	97.3	Very high	124 Å²	124	48.1 Å²	48.1	47%	0.468	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-31.6	-172.4	-58.7	179.3	-172.7	158.4	5.8	114.9	H116	H116-R120 HydrophobicContact CB-CB 4.16Å; H116-R120 HydrophobicContact CB-CG 4.25Å; H116-R120 PolarHBondContact NE2-NH1 2.92Å; H116-R120 PolarHBondContact O-N 3.3Å
121	C	97.7	Very high	97.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.014	26%	0.258	C	S	.	.			trans	-117.3	22.1	-166.1	-56.4	0	0	0	0	112.7	C43 H116 F117 E123 R124 W128	C43-C121 WeakPolarHBondContact CA-SG 3.43Å; C43-C121 HydrophobicContact CB-CB 4.09Å; C43-C121 WeakPolarHBondContact CB-SG 3.44Å; C43-C121 WeakPolarHBondContact SG-CB 3.48Å; C43-C121 CovalentContact SG-SG 2.04Å; C43-C121 PolarHBondContact SG-SG 3.22Å; H116-C121 WeakPolarHBondContact O-CB 3.3Å; H116-C121 PolarHBondContact O-N 3Å; F117-C121 WeakPolarHBondContact CD2-O 3.35Å; F117-C121 CarbonylContact O-C 3.51Å; F117-C121 PolarHBondContact O-N 3.24Å; C121-E123 VanDerWaalsContact C-N 3.28Å; C121-E123 PolarHBondContact O-N 2.92Å; C121-R124 HydrophobicContact CB-CG 4.34Å; C121-R124 WeakPolarHBondContact O-CB 3.36Å; C121-R124 WeakPolarHBondContact O-CG 3.34Å; C121-R124 PolarHBondContact O-N 2.91Å; C121-R124 VanDerWaalsContact O-N 3.1Å; C121-W128 HydrophobicContact CB-CE3 4.43Å; C121-W128 HydrophobicContact CB-CH2 3.6Å; C121-W128 HydrophobicContact CB-CZ3 3.5Å; C121-W128 VanDerWaalsContact CB-CZ3 3.5Å
122	Y	98	Very high	97.3	Very high	64 Å²	64	50 Å²	50	25%	0.251	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.2	-38.4	-173	-167.9	-109.5	0	0	0	112.2	F117 F118 R124 G125 R158	F117-Y122 HydrophobicContact CD1-CD2 4.4Å; F117-Y122 AromaticContact CE1-CD2 3.88Å; F117-Y122 HydrophobicContact CE1-CD2 3.88Å; F117-Y122 AromaticContact CE1-CE2 3.99Å; F117-Y122 HydrophobicContact CE1-CE2 3.99Å; F117-Y122 HydrophobicContact CE2-CD2 4.25Å; F117-Y122 WeakPolarHBondContact CE2-O 3.49Å; F117-Y122 AromaticContact CZ-CD2 3.8Å; F117-Y122 HydrophobicContact CZ-CD2 3.8Å; F117-Y122 HydrophobicContact CZ-CE2 4.05Å; F117-Y122 WeakPolarHBondContact O-CA 3.19Å; F117-Y122 WeakPolarHBondContact O-CB 3.32Å; F117-Y122 PolarHBondContact O-N 3.08Å; F118-Y122 HydrophobicContact CD1-CD2 4.01Å; F118-Y122 AromaticContact CD1-CE2 3.92Å; F118-Y122 HydrophobicContact CD1-CE2 3.92Å; F118-Y122 HydrophobicContact CE1-CE2 4.15Å; Y122-R124 PolarHBondContact O-N 3.25Å; Y122-G125 PolarHBondContact O-N 3.35Å; Y122-R158 HydrophobicContact CD1-CG 4.41Å; Y122-R158 HydrophobicContact CD2-CB 4.26Å; Y122-R158 HydrophobicContact CD2-CG 4.12Å; Y122-R158 HydrophobicContact CE1-CG 4.01Å; Y122-R158 HydrophobicContact CE2-CB 3.65Å; Y122-R158 HydrophobicContact CE2-CG 3.69Å; Y122-R158 HydrophobicContact CG-CG 4.45Å
123	E	97.3	Very high	97.7	Very high	167 Å²	167	48.4 Å²	48.4	78%	0.78	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-63.5	-12.6	178.7	-55.4	-48.9	135.1	0	0	113.9	C121 G125	C121-E123 VanDerWaalsContact C-N 3.28Å; C121-E123 PolarHBondContact O-N 2.92Å; E123-G125 PolarHBondContact O-N 3.2Å
124	R	97.3	Very high	97.8	Very high	97 Å²	97	46.4 Å²	46.4	37%	0.366	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-73.6	-9.8	173.8	-59	-164.1	68.1	-176.2	2	113.2	P44 C121 Y122 W128	P44-R124 PolarHBondContact O-NH1 3.36Å; C121-R124 HydrophobicContact CB-CG 4.34Å; C121-R124 WeakPolarHBondContact O-CB 3.36Å; C121-R124 WeakPolarHBondContact O-CG 3.34Å; C121-R124 PolarHBondContact O-N 2.91Å; C121-R124 VanDerWaalsContact O-N 3.1Å; Y122-R124 PolarHBondContact O-N 3.25Å; R124-W128 HydrophobicContact CB-CB 3.84Å; R124-W128 HydrophobicContact CB-CD2 3.62Å; R124-W128 HydrophobicContact CB-CE3 3.59Å; R124-W128 HydrophobicContact CB-CG 3.73Å; R124-W128 HydrophobicContact CB-CZ3 4.38Å; R124-W128 HydrophobicContact CG-CD2 4.29Å; R124-W128 HydrophobicContact CG-CE3 4.31Å; R124-W128 WeakPolarHBondContact O-CB 3.23Å
125	G	97.8	Very high	97.7	Very high	31 Å²	31	48.1 Å²	48.1	32%	0.32	23%	0.233	S	C	.	.	H	α-helix	trans	78.6	161.3	175.9	0	0	0	0	0	114.7	F117 Y122 E123 A127 W128 Y129	F117-G125 WeakPolarHBondContact CE2-O 3.38Å; Y122-G125 PolarHBondContact O-N 3.35Å; E123-G125 PolarHBondContact O-N 3.2Å; G125-A127 VanDerWaalsContact C-N 3.28Å; G125-A127 PolarHBondContact O-N 3.07Å; G125-W128 WeakPolarHBondContact O-CB 3.42Å; G125-W128 PolarHBondContact O-N 3.31Å; G125-Y129 PolarHBondContact O-N 3.26Å
126	L	98.1	Very high	97.7	Very high	70 Å²	70	48.2 Å²	48.2	37%	0.366	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-30.9	-177	-70.6	173.6	0	0	0	113.1	F82 F117 W128 Y129 R130 M162	F82-L126 HydrophobicContact CE1-CB 4.08Å; F82-L126 HydrophobicContact CE1-CD2 4.23Å; F82-L126 WeakPolarHBondContact CE1-O 3.28Å; F82-L126 HydrophobicContact CZ-CB 3.9Å; F117-L126 HydrophobicContact CE1-CD2 3.66Å; F117-L126 HydrophobicContact CZ-CD2 3.82Å; F117-L126 HydrophobicContact CZ-CG 4.4Å; L126-W128 VanDerWaalsContact C-N 3.33Å; L126-W128 PolarHBondContact O-N 3.27Å; L126-Y129 PolarHBondContact O-N 2.95Å; L126-R130 WeakPolarHBondContact O-CB 3.24Å; L126-R130 PolarHBondContact O-N 3.26Å; L126-M162 HydrophobicContact CD2-CB 4.45Å; L126-M162 HydrophobicContact CD2-CG 3.98Å; L126-M162 HydrophobicContact CD2-SD 3.91Å
127	A	97.9	Very high	97.6	Very high	73 Å²	73	51.1 Å²	51.1	60%	0.603	25%	0.249	S	C	*	.	H	α-helix	trans	-60.5	-43.6	175	0	0	0	0	0	111.5	G125 S131	G125-A127 VanDerWaalsContact C-N 3.28Å; G125-A127 PolarHBondContact O-N 3.07Å; A127-S131 WeakPolarHBondContact O-CB 3.44Å; A127-S131 PolarHBondContact O-N 2.81Å
128	W	97.6	Very high	97.4	Very high	17 Å²	17	56.3 Å²	56.3	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-47.9	173.3	173.9	69.6	0	0	0	111.2	F117 C121 R124 G125 L126 R130 S131 L132	F117-W128 HydrophobicContact CB-CZ3 4.14Å; F117-W128 AromaticContact CD2-CE3 3.71Å; F117-W128 HydrophobicContact CD2-CE3 3.71Å; F117-W128 AromaticContact CD2-CZ3 3.66Å; F117-W128 HydrophobicContact CD2-CZ3 3.66Å; F117-W128 HydrophobicContact CE2-CE3 4.23Å; F117-W128 HydrophobicContact CG-CZ3 4.32Å; C121-W128 HydrophobicContact CB-CE3 4.43Å; C121-W128 HydrophobicContact CB-CH2 3.6Å; C121-W128 HydrophobicContact CB-CZ3 3.5Å; C121-W128 VanDerWaalsContact CB-CZ3 3.5Å; R124-W128 HydrophobicContact CB-CB 3.84Å; R124-W128 HydrophobicContact CB-CD2 3.62Å; R124-W128 HydrophobicContact CB-CE3 3.59Å; R124-W128 HydrophobicContact CB-CG 3.73Å; R124-W128 HydrophobicContact CB-CZ3 4.38Å; R124-W128 HydrophobicContact CG-CD2 4.29Å; R124-W128 HydrophobicContact CG-CE3 4.31Å; R124-W128 WeakPolarHBondContact O-CB 3.23Å; G125-W128 WeakPolarHBondContact O-CB 3.42Å; G125-W128 PolarHBondContact O-N 3.31Å; L126-W128 VanDerWaalsContact C-N 3.33Å; L126-W128 PolarHBondContact O-N 3.27Å; W128-R130 PolarHBondContact O-N 3.4Å; W128-S131 WeakPolarHBondContact O-CB 3.22Å; W128-S131 PolarHBondContact O-N 3.44Å; W128-S131 PolarHBondContact O-OG 2.9Å; W128-L132 HydrophobicContact CD2-CD1 4.47Å; W128-L132 HydrophobicContact CE3-CD1 4.45Å; W128-L132 HydrophobicContact CH2-CD1 3.69Å; W128-L132 HydrophobicContact CZ2-CD1 3.65Å; W128-L132 HydrophobicContact CZ2-CD2 4.17Å; W128-L132 HydrophobicContact CZ2-CG 4.28Å; W128-L132 HydrophobicContact CZ3-CD1 4.06Å; W128-L132 PolarHBondContact O-N 3.44Å
129	Y	98.4	Very high	97.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-46.9	-179.8	-178.1	-127	0	0	0	112.4	F82 P83 P115 F117 F118 G125 L126 S131 L132 M133 E144 M162	F82-Y129 AromaticContact CD1-CD1 3.95Å; F82-Y129 HydrophobicContact CD1-CD1 3.95Å; F82-Y129 HydrophobicContact CD1-CE1 4.38Å; F82-Y129 HydrophobicContact CE1-CD1 4.13Å; P83-Y129 HydrophobicContact CG-CE1 4.19Å; P115-Y129 HydrophobicContact CB-CD2 4.4Å; P115-Y129 HydrophobicContact CB-CE2 4.04Å; P115-Y129 HydrophobicContact CG-CE2 4Å; F117-Y129 HydrophobicContact CB-CD2 3.35Å; F117-Y129 HydrophobicContact CB-CE2 3.58Å; F117-Y129 HydrophobicContact CB-CG 4.06Å; F117-Y129 AromaticContact CD1-CD1 3.67Å; F117-Y129 HydrophobicContact CD1-CD1 3.67Å; F117-Y129 AromaticContact CD1-CD2 3.63Å; F117-Y129 HydrophobicContact CD1-CD2 3.63Å; F117-Y129 HydrophobicContact CD1-CE1 4.07Å; F117-Y129 AromaticContact CD1-CE2 4Å; F117-Y129 HydrophobicContact CD1-CE2 4Å; F117-Y129 AromaticContact CD1-CG 3.43Å; F117-Y129 HydrophobicContact CD1-CG 3.43Å; F117-Y129 VanDerWaalsContact CD1-CG 3.43Å; F117-Y129 HydrophobicContact CD2-CD2 4.22Å; F117-Y129 HydrophobicContact CD2-CG 4.19Å; F117-Y129 AromaticContact CE1-CD1 3.91Å; F117-Y129 HydrophobicContact CE1-CD1 3.91Å; F117-Y129 HydrophobicContact CE1-CD2 4.49Å; F117-Y129 AromaticContact CE1-CG 3.87Å; F117-Y129 HydrophobicContact CE1-CG 3.87Å; F117-Y129 HydrophobicContact CG-CD1 4.32Å; F117-Y129 AromaticContact CG-CD2 3.46Å; F117-Y129 HydrophobicContact CG-CD2 3.46Å; F117-Y129 VanDerWaalsContact CG-CD2 3.46Å; F117-Y129 HydrophobicContact CG-CE2 4.02Å; F117-Y129 AromaticContact CG-CG 3.61Å; F117-Y129 HydrophobicContact CG-CG 3.61Å; F117-Y129 HydrophobicContact CZ-CG 4.39Å; F118-Y129 AromaticContact CE2-CE1 3.92Å; F118-Y129 HydrophobicContact CE2-CE1 3.92Å; F118-Y129 AromaticContact CE2-CZ 3.79Å; F118-Y129 HydrophobicContact CZ-CE1 4Å; G125-Y129 PolarHBondContact O-N 3.26Å; L126-Y129 PolarHBondContact O-N 2.95Å; Y129-S131 VanDerWaalsContact C-N 3.27Å; Y129-S131 PolarHBondContact O-N 2.92Å; Y129-L132 WeakPolarHBondContact O-CB 3.46Å; Y129-L132 PolarHBondContact O-N 3.03Å; Y129-L132 VanDerWaalsContact O-N 3.14Å; Y129-M133 HydrophobicContact CD2-CE 3.81Å; Y129-M133 HydrophobicContact CE1-CE 4.34Å; Y129-M133 HydrophobicContact CE2-CE 3.44Å; Y129-M133 VanDerWaalsContact CE2-CE 3.44Å; Y129-M133 HydrophobicContact CG-CE 4.43Å; Y129-E144 HydrophobicContact CE2-CG 4.45Å; Y129-E144 VanDerWaalsContact OH-CG 3.29Å; Y129-E144 WeakPolarHBondContact OH-CG 3.22Å; Y129-E144 PolarHBondContact OH-OE1 3.42Å; Y129-M162 HydrophobicContact CD1-SD 4.02Å; Y129-M162 HydrophobicContact CE1-CE 4.21Å; Y129-M162 HydrophobicContact CE1-SD 3.78Å
130	R	98.1	Very high	97.2	Very high	123 Å²	123	59.7 Å²	59.7	46%	0.464	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-37.2	174.7	-169.7	173.3	63.7	176.9	0	112.2	R80 F82 L126 W128 L132 M133	R80-R130 HydrophobicContact CB-CG 4.32Å; F82-R130 HydrophobicContact CD1-CB 4.13Å; F82-R130 HydrophobicContact CE1-CB 3.59Å; F82-R130 HydrophobicContact CE1-CG 4.27Å; F82-R130 HydrophobicContact CZ-CB 3.92Å; F82-R130 HydrophobicContact CZ-CG 4.38Å; L126-R130 WeakPolarHBondContact O-CB 3.24Å; L126-R130 PolarHBondContact O-N 3.26Å; W128-R130 PolarHBondContact O-N 3.4Å; R130-L132 PolarHBondContact O-N 3.11Å; R130-M133 WeakPolarHBondContact O-CB 3.27Å; R130-M133 PolarHBondContact O-N 3.26Å
131	S	96.9	Very high	97.2	Very high	36 Å²	36	54.9 Å²	54.9	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-19.8	179.6	82.4	0	0	0	0	113.5	R80 A127 W128 Y129	R80-S131 PolarHBondContact NH1-O 2.83Å; A127-S131 WeakPolarHBondContact O-CB 3.44Å; A127-S131 PolarHBondContact O-N 2.81Å; W128-S131 WeakPolarHBondContact O-CB 3.22Å; W128-S131 PolarHBondContact O-N 3.44Å; W128-S131 PolarHBondContact O-OG 2.9Å; Y129-S131 VanDerWaalsContact C-N 3.27Å; Y129-S131 PolarHBondContact O-N 2.92Å
132	L	97.1	Very high	97.3	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.131	29%	0.293	C	S	.	.	H	α-helix	trans	-79.2	-28.7	174.2	-56.8	178.6	0	0	0	112.1	L111 P115 W128 Y129 R130	L111-L132 HydrophobicContact CD1-CB 4.45Å; L111-L132 WeakPolarHBondContact CD1-O 3.21Å; L111-L132 HydrophobicContact CD2-CB 3.91Å; L111-L132 HydrophobicContact CD2-CD1 4.37Å; P115-L132 HydrophobicContact CB-CD1 3.89Å; W128-L132 HydrophobicContact CD2-CD1 4.47Å; W128-L132 HydrophobicContact CE3-CD1 4.45Å; W128-L132 HydrophobicContact CH2-CD1 3.69Å; W128-L132 HydrophobicContact CZ2-CD1 3.65Å; W128-L132 HydrophobicContact CZ2-CD2 4.17Å; W128-L132 HydrophobicContact CZ2-CG 4.28Å; W128-L132 HydrophobicContact CZ3-CD1 4.06Å; W128-L132 PolarHBondContact O-N 3.44Å; Y129-L132 WeakPolarHBondContact O-CB 3.46Å; Y129-L132 PolarHBondContact O-N 3.03Å; Y129-L132 VanDerWaalsContact O-N 3.14Å; R130-L132 PolarHBondContact O-N 3.11Å
133	M	97.9	Very high	97.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-65.1	141.7	-170.3	-63.6	-57.4	131.9	0	0	111.9	R80 R81 P83 L111 Y129 R130 T142 E144	R80-M133 VanDerWaalsContact CD-O 3.24Å; R80-M133 WeakPolarHBondContact CD-O 3.44Å; R80-M133 VanDerWaalsContact CG-O 3.26Å; R80-M133 WeakPolarHBondContact CG-O 3.28Å; R80-M133 PolarHBondContact NH1-O 2.83Å; R81-M133 VanDerWaalsContact O-CB 3.27Å; R81-M133 WeakPolarHBondContact O-CB 3.35Å; R81-M133 VanDerWaalsContact O-CG 3.28Å; R81-M133 WeakPolarHBondContact O-CG 3.09Å; P83-M133 HydrophobicContact CG-CE 4.11Å; P83-M133 HydrophobicContact CG-CG 4.47Å; P83-M133 HydrophobicContact CG-SD 3.6Å; L111-M133 HydrophobicContact CD2-CE 3.91Å; Y129-M133 HydrophobicContact CD2-CE 3.81Å; Y129-M133 HydrophobicContact CE1-CE 4.34Å; Y129-M133 HydrophobicContact CE2-CE 3.44Å; Y129-M133 VanDerWaalsContact CE2-CE 3.44Å; Y129-M133 HydrophobicContact CG-CE 4.43Å; R130-M133 WeakPolarHBondContact O-CB 3.27Å; R130-M133 PolarHBondContact O-N 3.26Å; M133-T142 HydrophobicContact CB-CG2 3.99Å; M133-T142 HydrophobicContact CG-CG2 4.1Å; M133-T142 HydrophobicContact SD-CG2 3.82Å; M133-E144 HydrophobicContact CE-CB 4.46Å; M133-E144 HydrophobicContact CE-CG 4.34Å
134	P	96.6	Very high	97.4	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.123	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-61.2	151.9	173.8	28.3	-35	0	0	0	110.6	R109 T142	R109-P134 HydrophobicContact CB-CB 4.35Å; R109-P134 HydrophobicContact CB-CG 3.87Å; P134-T142 HydrophobicContact CG-CG2 4.45Å
135	R	96.1	Very high	97.4	Very high	104 Å²	104	39.3 Å²	39.3	39%	0.392	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	137.4	166.4	-69.4	-178	179.4	-87.8	2.1	109.3	G76 G78 R79 R80	G76-R135 VanDerWaalsContact O-CD 3.22Å; G76-R135 WeakPolarHBondContact O-CD 3.41Å; G78-R135 PolarHBondContact O-NH1 3.02Å; R79-R135 WeakPolarHBondContact O-CA 3.35Å; R80-R135 HydrophobicContact CG-CG 4.04Å
136	T	97.1	Very high	97.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.7	177.1	38.5	0	0	0	0	110.6	G78 R79 R109 Q140 T142	G78-T136 CarbonylContact C-O 3.32Å; G78-T136 VanDerWaalsContact CA-O 3.26Å; G78-T136 WeakPolarHBondContact CA-O 3.26Å; R79-T136 PolarHBondContact N-O 2.93Å; R79-T136 PolarHBondContact O-N 2.97Å; R79-T136 PolarHBondContact O-OG1 3.39Å; R109-T136 HydrophobicContact CB-CG2 3.53Å; R109-T136 HydrophobicContact CG-CG2 3.65Å; T136-Q140 HydrophobicContact CG2-CB 3.96Å; T136-T142 VanDerWaalsContact CG2-OG1 3.22Å; T136-T142 WeakPolarHBondContact CG2-OG1 3.36Å; T136-T142 PolarHBondContact OG1-OG1 3.19Å
137	L	97	Very high	97.5	Very high	88 Å²	88	35 Å²	35	46%	0.461	20%	0.197	S	C	.	.			trans	-81.3	168.1	163.4	-57.8	178.9	0	0	0	110	P77 Q140	P77-L137 HydrophobicContact CB-CD2 4.22Å; P77-L137 HydrophobicContact CG-CD2 4.48Å; L137-Q140 HydrophobicContact CB-CG 4.24Å; L137-Q140 PolarHBondContact O-N 3.42Å
138	D	94.9	Very high	97.6	Very high	111 Å²	111	32.8 Å²	32.8	59%	0.594	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	143.6	173	-65.9	-18.8	0	0	0	110	R79 R81 Q140	R79-D138 IonicContact CZ-OD1 2.79Å; R79-D138 IonicContact NE-OD1 3.98Å; R79-D138 IonicContact NH2-OD1 3.71Å; R79-D138 PolarHBondContact NH2-OD1 2.91Å; R79-D138 IonicContact NH2-OD2 2.65Å; R79-D138 PolarHBondContact NH2-OD2 3.16Å; R81-D138 IonicContact CZ-OD1 3.24Å; R81-D138 IonicContact NE-OD1 3.67Å; R81-D138 IonicContact NH2-OD1 3.11Å; R81-D138 PolarHBondContact NH2-OD1 2.97Å; D138-Q140 VanDerWaalsContact C-N 3.28Å; D138-Q140 PolarHBondContact O-N 3.09Å
139	G	94.3	Very high	97.6	Very high	68 Å²	68	32 Å²	32	70%	0.701	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	-21.5	-170	0	0	0	0	0	115.1
140	Q	97.7	Very high	97.6	Very high	34 Å²	34	32.1 Å²	32.1	16%	0.159	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-81.6	141.6	178.3	-56.3	-170.5	-54.5	0	0	112.8	P106 D107 R109 T136 L137 D138	P106-Q140 PolarHBondContact O-NE2 3.4Å; D107-Q140 CarbonylContact O-C 3.57Å; D107-Q140 WeakPolarHBondContact O-CA 3.26Å; R109-Q140 HydrophobicContact CG-CB 4.48Å; T136-Q140 HydrophobicContact CG2-CB 3.96Å; L137-Q140 HydrophobicContact CB-CG 4.24Å; L137-Q140 PolarHBondContact O-N 3.42Å; D138-Q140 VanDerWaalsContact C-N 3.28Å; D138-Q140 PolarHBondContact O-N 3.09Å
141	I	98	Very high	97.7	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.118	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.4	173.5	-59.5	-178.3	0	0	0	109.6	Q84 D107 R109 M143 L259 L261	Q84-I141 HydrophobicContact CB-CG2 4.32Å; D107-I141 PolarHBondContact O-N 3.49Å; R109-I141 PolarHBondContact N-O 3.26Å; I141-M143 HydrophobicContact CG2-CG 3.83Å; I141-L259 HydrophobicContact CD1-CB 3.99Å; I141-L261 HydrophobicContact CD1-CD1 4.16Å; I141-L261 HydrophobicContact CD1-CD2 3.66Å; I141-L261 HydrophobicContact CD1-CG 3.85Å; I141-L261 HydrophobicContact CG1-CD2 4.21Å
142	T	98.6	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.2	168.6	-59.1	0	0	0	0	109.6	P83 Q84 R109 M133 P134 T136	P83-T142 WeakPolarHBondContact CA-O 3.28Å; P83-T142 HydrophobicContact CG-CG2 4.4Å; Q84-T142 PolarHBondContact N-O 3.28Å; Q84-T142 VanDerWaalsContact N-O 3.09Å; Q84-T142 PolarHBondContact OE1-O 3.47Å; R109-T142 CarbonylContact O-C 3.59Å; R109-T142 VanDerWaalsContact O-CA 3.26Å; R109-T142 WeakPolarHBondContact O-CA 3.32Å; M133-T142 HydrophobicContact CB-CG2 3.99Å; M133-T142 HydrophobicContact CG-CG2 4.1Å; M133-T142 HydrophobicContact SD-CG2 3.82Å; P134-T142 HydrophobicContact CG-CG2 4.45Å; T136-T142 VanDerWaalsContact CG2-OG1 3.22Å; T136-T142 WeakPolarHBondContact CG2-OG1 3.36Å; T136-T142 PolarHBondContact OG1-OG1 3.19Å
143	M	98.7	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.2	178	-58	-176.9	73.1	0	0	112.7	A85 I87 L102 V108 R109 A110 L111 I141 I169 L259	A85-M143 HydrophobicContact CB-CE 3.95Å; A85-M143 HydrophobicContact CB-CG 4.3Å; A85-M143 WeakPolarHBondContact O-CA 3.46Å; I87-M143 HydrophobicContact CG1-CE 4.21Å; L102-M143 HydrophobicContact CD1-CE 3.92Å; L102-M143 HydrophobicContact CD1-SD 4.2Å; V108-M143 HydrophobicContact CG1-CG 4.48Å; V108-M143 HydrophobicContact CG1-SD 3.86Å; R109-M143 PolarHBondContact O-N 2.91Å; A110-M143 CarbonylContact C-O 3.56Å; A110-M143 WeakPolarHBondContact CA-O 3.39Å; A110-M143 HydrophobicContact CB-CB 4.2Å; L111-M143 PolarHBondContact N-O 2.77Å; I141-M143 HydrophobicContact CG2-CG 3.83Å; M143-I169 HydrophobicContact CE-CD1 3.79Å; M143-L259 HydrophobicContact CE-CD1 4.08Å; M143-L259 HydrophobicContact SD-CD1 3.94Å
144	E	98.6	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	173.6	161	64.8	97.3	147.5	0	0	110.9	P83 L86 I87 L111 P115 Y129 M133 T146 Y149	P83-E144 HydrophobicContact CG-CG 4.06Å; L86-E144 HydrophobicContact CD2-CG 3.45Å; L86-E144 VanDerWaalsContact CD2-CG 3.45Å; I87-E144 PolarHBondContact N-O 3.27Å; L111-E144 HydrophobicContact CB-CB 4.05Å; P115-E144 WeakPolarHBondContact CD-OE2 3.29Å; P115-E144 HydrophobicContact CG-CB 4.07Å; P115-E144 HydrophobicContact CG-CG 3.86Å; P115-E144 VanDerWaalsContact CG-OE1 3.22Å; P115-E144 WeakPolarHBondContact CG-OE1 3.27Å; P115-E144 WeakPolarHBondContact CG-OE2 3.47Å; Y129-E144 HydrophobicContact CE2-CG 4.45Å; Y129-E144 VanDerWaalsContact OH-CG 3.29Å; Y129-E144 WeakPolarHBondContact OH-CG 3.22Å; Y129-E144 PolarHBondContact OH-OE1 3.42Å; M133-E144 HydrophobicContact CE-CB 4.46Å; M133-E144 HydrophobicContact CE-CG 4.34Å; E144-T146 PolarHBondContact OE2-N 2.82Å; E144-T146 PolarHBondContact OE2-OG1 2.88Å; E144-Y149 WeakPolarHBondContact OE1-CE2 3.22Å; E144-Y149 PolarHBondContact OE1-OH 3.5Å
145	K	98.8	Very high	97.9	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.5	-178.6	176	-166.2	87.2	65.2	0	110.3	I87 T95 L99 E114 P147	I87-K145 HydrophobicContact CB-CB 3.96Å; I87-K145 HydrophobicContact CB-CG 3.84Å; I87-K145 HydrophobicContact CD1-CB 4.48Å; I87-K145 HydrophobicContact CG2-CG 3.94Å; I87-K145 WeakPolarHBondContact O-CA 3.45Å; T95-K145 WeakPolarHBondContact O-CD 3.33Å; T95-K145 PolarHBondContact OG1-NZ 3.44Å; T95-K145 VanDerWaalsContact OG1-NZ 3.15Å; L99-K145 HydrophobicContact CB-CD 4.09Å; L99-K145 HydrophobicContact CD1-CB 4.39Å; L99-K145 HydrophobicContact CD2-CB 3.97Å; L99-K145 HydrophobicContact CD2-CD 4.2Å; E114-K145 WeakPolarHBondContact CG-O 3.16Å; E114-K145 IonicContact OE1-NZ 3.91Å; E114-K145 PolarHBondContact OE1-NZ 3.14Å; K145-P147 HydrophobicContact CG-CG 4.39Å
146	T	98.8	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.			trans	-137.1	97.2	171.7	-55.4	0	0	0	0	109.6	I87 V88 P115 H116 E144 S148 Y149	I87-T146 PolarHBondContact O-N 2.88Å; I87-T146 VanDerWaalsContact O-N 3.11Å; V88-T146 CarbonylContact C-O 3.33Å; P115-T146 WeakPolarHBondContact CD-OG1 3.4Å; H116-T146 WeakPolarHBondContact ND1-CG2 3.36Å; E144-T146 PolarHBondContact OE2-N 2.82Å; E144-T146 PolarHBondContact OE2-OG1 2.88Å; T146-S148 WeakPolarHBondContact CG2-OG 3.25Å; T146-S148 PolarHBondContact O-N 2.89Å; T146-Y149 VanDerWaalsContact CB-CE2 3.44Å; T146-Y149 HydrophobicContact CG2-CD1 3.59Å; T146-Y149 HydrophobicContact CG2-CD2 4.44Å; T146-Y149 HydrophobicContact CG2-CE1 3.36Å; T146-Y149 HydrophobicContact CG2-CE2 4.26Å; T146-Y149 HydrophobicContact CG2-CG 4.13Å; T146-Y149 WeakPolarHBondContact O-CB 3.49Å; T146-Y149 PolarHBondContact O-N 3.11Å; T146-Y149 VanDerWaalsContact O-N 3.09Å; T146-Y149 PolarHBondContact OG1-OH 3.47Å
147	P	98.8	Very high	98.1	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.058	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.7	-169.9	-23.2	35.5	0	0	0	115.6	V88 K91 T95 E114 K145	V88-P147 CarbonylContact O-C 3.53Å; V88-P147 WeakPolarHBondContact O-CA 3.3Å; K91-P147 HydrophobicContact CB-CB 4.31Å; T95-P147 HydrophobicContact CG2-CB 4.32Å; T95-P147 HydrophobicContact CG2-CG 4.13Å; T95-P147 VanDerWaalsContact OG1-CG 3.29Å; T95-P147 WeakPolarHBondContact OG1-CG 3.37Å; E114-P147 WeakPolarHBondContact OE2-CD 3.31Å; K145-P147 HydrophobicContact CG-CG 4.39Å
148	S	98.7	Very high	98.2	Very high	27 Å²	27	37.9 Å²	37.9	19%	0.189	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-22.6	175.7	40.3	0	0	0	0	112.9	H116 D119 T146 F150 V151 T152	H116-S148 PolarHBondContact CE1-OG 3Å; H116-S148 VanDerWaalsContact CE1-OG 3.28Å; H116-S148 PolarHBondContact ND1-OG 2.89Å; D119-S148 WeakPolarHBondContact OD2-CB 3.41Å; D119-S148 PolarHBondContact OD2-OG 2.78Å; T146-S148 WeakPolarHBondContact CG2-OG 3.25Å; T146-S148 PolarHBondContact O-N 2.89Å; S148-F150 PolarHBondContact O-N 3.1Å; S148-V151 WeakPolarHBondContact O-CG2 3.27Å; S148-V151 PolarHBondContact O-N 3.46Å; S148-T152 PolarHBondContact O-N 2.9Å; S148-T152 PolarHBondContact O-OG1 2.72Å; S148-T152 VanDerWaalsContact O-OG1 3.11Å
149	Y	98.9	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-54.4	-41.1	-179.6	-68.2	-13	0	0	0	111.7	V88 F117 F118 D119 E144 T146 V151 T152 I159 W227	V88-Y149 HydrophobicContact CG1-CD2 4.25Å; F117-Y149 PolarHBondContact N-OH 2.99Å; F118-Y149 HydrophobicContact CB-CD1 4.03Å; F118-Y149 HydrophobicContact CB-CE1 3.7Å; F118-Y149 HydrophobicContact CB-CE2 4.33Å; F118-Y149 HydrophobicContact CB-CG 4.48Å; F118-Y149 HydrophobicContact CD2-CD2 4.31Å; F118-Y149 HydrophobicContact CD2-CE1 4.36Å; F118-Y149 AromaticContact CD2-CE2 3.61Å; F118-Y149 HydrophobicContact CD2-CE2 3.61Å; F118-Y149 AromaticContact CD2-CZ 3.64Å; F118-Y149 HydrophobicContact CG-CE2 4.45Å; F118-Y149 PolarHBondContact N-OH 3.48Å; D119-Y149 HydrophobicContact CB-CD1 4.12Å; D119-Y149 HydrophobicContact CB-CE1 4.29Å; D119-Y149 WeakPolarHBondContact OD1-CE1 3.44Å; E144-Y149 WeakPolarHBondContact OE1-CE2 3.22Å; E144-Y149 PolarHBondContact OE1-OH 3.5Å; T146-Y149 VanDerWaalsContact CB-CE2 3.44Å; T146-Y149 HydrophobicContact CG2-CD1 3.59Å; T146-Y149 HydrophobicContact CG2-CD2 4.44Å; T146-Y149 HydrophobicContact CG2-CE1 3.36Å; T146-Y149 HydrophobicContact CG2-CE2 4.26Å; T146-Y149 HydrophobicContact CG2-CG 4.13Å; T146-Y149 WeakPolarHBondContact O-CB 3.49Å; T146-Y149 PolarHBondContact O-N 3.11Å; T146-Y149 VanDerWaalsContact O-N 3.09Å; T146-Y149 PolarHBondContact OG1-OH 3.47Å; Y149-V151 PolarHBondContact O-N 3.12Å; Y149-T152 PolarHBondContact O-N 3.33Å; Y149-I159 HydrophobicContact CD2-CD1 4.22Å; Y149-W227 WeakPolarHBondContact O-CZ2 3.22Å
150	F	98.9	Very high	98.6	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.013	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-54.2	-29.3	-178.3	-169.6	-111.3	0	0	0	114	V88 V90 S148 V170 Y220 H223 W227	V88-F150 HydrophobicContact CG2-CD2 4.25Å; V88-F150 WeakPolarHBondContact O-CB 3.4Å; V88-F150 PolarHBondContact O-N 2.94Å; V90-F150 HydrophobicContact CG1-CD1 3.44Å; V90-F150 VanDerWaalsContact CG1-CD1 3.44Å; V90-F150 HydrophobicContact CG1-CE1 3.75Å; V90-F150 HydrophobicContact CG1-CG 4.06Å; S148-F150 PolarHBondContact O-N 3.1Å; F150-V170 HydrophobicContact CD2-CG1 4.09Å; F150-V170 HydrophobicContact CD2-CG2 4.04Å; F150-V170 HydrophobicContact CE2-CG1 3.99Å; F150-V170 HydrophobicContact CE2-CG2 3.96Å; F150-V170 HydrophobicContact CG-CG1 4.45Å; F150-V170 HydrophobicContact CZ-CG1 4.24Å; F150-Y220 HydrophobicContact CE1-CD1 4.22Å; F150-H223 HydrophobicContact CD1-CB 3.88Å; F150-H223 HydrophobicContact CE1-CB 3.46Å; F150-H223 VanDerWaalsContact CE1-CB 3.46Å; F150-H223 HydrophobicContact CE2-CB 4.44Å; F150-H223 HydrophobicContact CZ-CB 3.77Å; F150-W227 AromaticContact CD2-CD1 3.92Å; F150-W227 AromaticContact CD2-NE1 3.55Å; F150-W227 AromaticContact CE2-CD1 3.97Å; F150-W227 PolarHBondContact O-NE1 3.17Å
151	V	98.6	Very high	98.7	Very high	39 Å²	39	34.4 Å²	34.4	24%	0.236	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-110.3	3.7	-179.1	-56.9	0	0	0	0	113.5	S148 Y149 I217	S148-V151 WeakPolarHBondContact O-CG2 3.27Å; S148-V151 PolarHBondContact O-N 3.46Å; Y149-V151 PolarHBondContact O-N 3.12Å; V151-I217 HydrophobicContact CG1-CB 4.45Å; V151-I217 HydrophobicContact CG1-CG1 4.07Å; V151-I217 HydrophobicContact CG1-CG2 4.34Å; V151-I217 HydrophobicContact CG2-CG1 4.43Å
152	T	98.7	Very high	98.7	Very high	25 Å²	25	35 Å²	35	15%	0.153	17%	0.169	C	C	.	.			trans	-86	120.1	175.6	-67.5	0	0	0	0	108.9	D119 S148 Y149 E154 A155 P156	D119-T152 HydrophobicContact CB-CG2 3.82Å; D119-T152 VanDerWaalsContact CB-OG1 3.32Å; D119-T152 WeakPolarHBondContact CB-OG1 3.44Å; S148-T152 PolarHBondContact O-N 2.9Å; S148-T152 PolarHBondContact O-OG1 2.72Å; S148-T152 VanDerWaalsContact O-OG1 3.11Å; Y149-T152 PolarHBondContact O-N 3.33Å; T152-E154 VanDerWaalsContact C-N 3.29Å; T152-E154 PolarHBondContact O-N 3.26Å; T152-A155 HydrophobicContact CG2-CB 3.9Å; T152-A155 PolarHBondContact O-N 3.33Å; T152-P156 WeakPolarHBondContact O-CD 3.44Å
153	R	98.1	Very high	98.7	Very high	206 Å²	206	36.6 Å²	36.6	78%	0.777	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-38.7	-174.3	-175.4	-179.2	-176.9	-176.1	0.3	113
154	E	98.6	Very high	98.6	Very high	82 Å²	82	39.7 Å²	39.7	38%	0.383	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-15.1	-175.6	-57	71.1	-154.3	0	0	113	T152 R157 R158	T152-E154 VanDerWaalsContact C-N 3.29Å; T152-E154 PolarHBondContact O-N 3.26Å; E154-R157 PolarHBondContact O-N 3.01Å; E154-R158 HydrophobicContact CB-CG 4.47Å; E154-R158 WeakPolarHBondContact O-CB 3.44Å; E154-R158 VanDerWaalsContact O-CG 3.27Å; E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 3.13Å; E154-R158 VanDerWaalsContact O-N 3.07Å
155	A	98.8	Very high	98.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-45.3	-171.6	0	0	0	0	0	113.4	F118 T152 R157 R158 I159 W227	F118-A155 HydrophobicContact CB-CB 4.26Å; T152-A155 HydrophobicContact CG2-CB 3.9Å; T152-A155 PolarHBondContact O-N 3.33Å; A155-R157 PolarHBondContact O-N 3.16Å; A155-R158 PolarHBondContact O-N 3.19Å; A155-I159 HydrophobicContact CB-CD1 4.32Å; A155-I159 WeakPolarHBondContact O-CB 3.42Å; A155-I159 WeakPolarHBondContact O-CD1 3.44Å; A155-I159 WeakPolarHBondContact O-CG1 3.42Å; A155-I159 PolarHBondContact O-N 3.12Å; A155-W227 HydrophobicContact CB-CZ2 4.44Å
156	P	98.9	Very high	98.6	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-50.9	178.2	-24.4	33.1	0	0	0	112.3	T152 R158 I159 H160 W227 Y230 F231	T152-P156 WeakPolarHBondContact O-CD 3.44Å; P156-R158 PolarHBondContact O-N 3.27Å; P156-I159 PolarHBondContact O-N 3.11Å; P156-H160 VanDerWaalsContact O-CB 3.31Å; P156-H160 WeakPolarHBondContact O-CB 3.41Å; P156-H160 PolarHBondContact O-N 3.29Å; P156-W227 HydrophobicContact CB-CD2 4.16Å; P156-W227 HydrophobicContact CB-CE3 4Å; P156-W227 HydrophobicContact CB-CZ3 4.42Å; P156-W227 HydrophobicContact CG-CD2 3.65Å; P156-W227 HydrophobicContact CG-CE3 3.96Å; P156-W227 HydrophobicContact CG-CG 3.94Å; P156-W227 HydrophobicContact CG-CZ2 4.24Å; P156-W227 HydrophobicContact CG-CZ3 4.41Å; P156-Y230 HydrophobicContact CB-CD2 3.53Å; P156-Y230 HydrophobicContact CB-CE2 4.14Å; P156-Y230 HydrophobicContact CB-CG 4.05Å; P156-F231 WeakPolarHBondContact O-CE2 3.13Å
157	R	98.8	Very high	98.6	Very high	129 Å²	129	49.1 Å²	49.1	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-46.6	178.5	-172.3	179.5	69.3	84.5	-2.9	112.4	E154 A155 H160 A161 Y230	E154-R157 PolarHBondContact O-N 3.01Å; A155-R157 PolarHBondContact O-N 3.16Å; R157-H160 PolarHBondContact O-N 2.99Å; R157-A161 WeakPolarHBondContact O-CB 3.41Å; R157-A161 PolarHBondContact O-N 3.02Å; R157-Y230 HydrophobicContact CB-CD1 4.13Å; R157-Y230 HydrophobicContact CB-CE1 3.5Å; R157-Y230 VanDerWaalsContact CB-CE1 3.5Å; R157-Y230 HydrophobicContact CB-CE2 4.37Å; R157-Y230 HydrophobicContact CG-CD1 4.41Å; R157-Y230 HydrophobicContact CG-CE1 3.62Å
158	R	98.8	Very high	98.6	Very high	34 Å²	34	48.7 Å²	48.7	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-38.6	-178.1	-69.7	171	166.4	164.5	-0.9	112.3	F118 Y122 E154 A155 P156 M162	F118-R158 HydrophobicContact CD1-CB 3.65Å; F118-R158 HydrophobicContact CE1-CB 4.25Å; F118-R158 PolarHBondContact O-NH1 3.07Å; Y122-R158 HydrophobicContact CD1-CG 4.41Å; Y122-R158 HydrophobicContact CD2-CB 4.26Å; Y122-R158 HydrophobicContact CD2-CG 4.12Å; Y122-R158 HydrophobicContact CE1-CG 4.01Å; Y122-R158 HydrophobicContact CE2-CB 3.65Å; Y122-R158 HydrophobicContact CE2-CG 3.69Å; Y122-R158 HydrophobicContact CG-CG 4.45Å; E154-R158 HydrophobicContact CB-CG 4.47Å; E154-R158 WeakPolarHBondContact O-CB 3.44Å; E154-R158 VanDerWaalsContact O-CG 3.27Å; E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 3.13Å; E154-R158 VanDerWaalsContact O-N 3.07Å; A155-R158 PolarHBondContact O-N 3.19Å; P156-R158 PolarHBondContact O-N 3.27Å; R158-M162 PolarHBondContact O-N 3.46Å
159	I	98.9	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.5	-43.6	177.2	-66.8	164	0	0	0	109.9	L86 V88 F118 Y149 A155 P156 A161 M162 S163 M166 L168 W227 F231	L86-I159 HydrophobicContact CD1-CD1 3.87Å; L86-I159 HydrophobicContact CD1-CG1 4.04Å; L86-I159 HydrophobicContact CD1-CG2 3.77Å; V88-I159 HydrophobicContact CG1-CD1 4.49Å; F118-I159 HydrophobicContact CB-CD1 4.4Å; F118-I159 HydrophobicContact CB-CG1 4.18Å; F118-I159 HydrophobicContact CD1-CG1 3.8Å; F118-I159 HydrophobicContact CD2-CD1 3.94Å; F118-I159 HydrophobicContact CD2-CG1 3.44Å; F118-I159 VanDerWaalsContact CD2-CG1 3.44Å; F118-I159 HydrophobicContact CE1-CG1 3.93Å; F118-I159 HydrophobicContact CE2-CD1 4.42Å; F118-I159 HydrophobicContact CE2-CG1 3.62Å; F118-I159 HydrophobicContact CG-CD1 4.16Å; F118-I159 HydrophobicContact CG-CG1 3.53Å; F118-I159 HydrophobicContact CZ-CG1 3.84Å; Y149-I159 HydrophobicContact CD2-CD1 4.22Å; A155-I159 HydrophobicContact CB-CD1 4.32Å; A155-I159 WeakPolarHBondContact O-CB 3.42Å; A155-I159 WeakPolarHBondContact O-CD1 3.44Å; A155-I159 WeakPolarHBondContact O-CG1 3.42Å; A155-I159 PolarHBondContact O-N 3.12Å; P156-I159 PolarHBondContact O-N 3.11Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 3.42Å; I159-M162 WeakPolarHBondContact O-CB 3.29Å; I159-M162 PolarHBondContact O-N 3.22Å; I159-S163 PolarHBondContact O-N 3.34Å; I159-M166 HydrophobicContact CG2-CB 4.06Å; I159-M166 HydrophobicContact CG2-CE 4.42Å; I159-M166 HydrophobicContact CG2-CG 3.77Å; I159-L168 HydrophobicContact CG2-CD2 4.3Å; I159-W227 HydrophobicContact CD1-CH2 3.57Å; I159-W227 HydrophobicContact CD1-CZ3 3.98Å; I159-F231 HydrophobicContact CB-CE2 4.38Å; I159-F231 HydrophobicContact CB-CZ 4.29Å; I159-F231 HydrophobicContact CG2-CE2 4.26Å; I159-F231 HydrophobicContact CG2-CZ 3.82Å
160	H	98.8	Very high	98.6	Very high	66 Å²	66	47.4 Å²	47.4	31%	0.306	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-42.5	176.3	-177.4	-85	0	0	0	111.8	P156 R157 M162 S163 P164 Y230 F231	P156-H160 VanDerWaalsContact O-CB 3.31Å; P156-H160 WeakPolarHBondContact O-CB 3.41Å; P156-H160 PolarHBondContact O-N 3.29Å; R157-H160 PolarHBondContact O-N 2.99Å; H160-M162 PolarHBondContact O-N 3.12Å; H160-S163 CarbonylContact O-C 3.56Å; H160-S163 PolarHBondContact O-N 3.27Å; H160-P164 WeakPolarHBondContact O-CD 3.43Å; H160-Y230 HydrophobicContact CB-CD1 4.39Å; H160-Y230 PolarHBondContact CD2-O 3.42Å; H160-Y230 PolarHBondContact NE2-O 3.46Å; H160-F231 VanDerWaalsContact CA-CZ 3.44Å; H160-F231 HydrophobicContact CB-CE1 4.39Å; H160-F231 HydrophobicContact CB-CE2 3.8Å; H160-F231 HydrophobicContact CB-CZ 3.65Å
161	A	98.6	Very high	98.6	Very high	74 Å²	74	47.2 Å²	47.2	61%	0.612	24%	0.235	S	C	*	.	H	α-helix	trans	-62.1	-26.9	175.7	0	0	0	0	0	113.5	R157 I159	R157-A161 WeakPolarHBondContact O-CB 3.41Å; R157-A161 PolarHBondContact O-N 3.02Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 3.42Å
162	M	98.4	Very high	98.6	Very high	35 Å²	35	45.4 Å²	45.4	17%	0.172	22%	0.223	C	C	.	.	H	α-helix	trans	-81.5	-43.3	174.1	-175.5	-172.9	70.2	0	0	111.9	F82 F118 L126 Y129 R158 I159 H160 M166	F82-M162 HydrophobicContact CB-SD 4.4Å; F82-M162 HydrophobicContact CD1-SD 3.83Å; F82-M162 HydrophobicContact CE1-SD 4.35Å; F82-M162 HydrophobicContact CG-SD 4.19Å; F118-M162 HydrophobicContact CE2-CE 4.35Å; F118-M162 HydrophobicContact CZ-CB 4.45Å; F118-M162 HydrophobicContact CZ-CE 3.78Å; F118-M162 HydrophobicContact CZ-SD 3.75Å; L126-M162 HydrophobicContact CD2-CB 4.45Å; L126-M162 HydrophobicContact CD2-CG 3.98Å; L126-M162 HydrophobicContact CD2-SD 3.91Å; Y129-M162 HydrophobicContact CD1-SD 4.02Å; Y129-M162 HydrophobicContact CE1-CE 4.21Å; Y129-M162 HydrophobicContact CE1-SD 3.78Å; R158-M162 PolarHBondContact O-N 3.46Å; I159-M162 WeakPolarHBondContact O-CB 3.29Å; I159-M162 PolarHBondContact O-N 3.22Å; H160-M162 PolarHBondContact O-N 3.12Å; M162-M166 HydrophobicContact CE-CE 3.26Å
163	S	98	Very high	98.6	Very high	35 Å²	35	47 Å²	47	25%	0.245	23%	0.227	C	C	.	.			trans	-157.3	108.8	178.8	-174.4	0	0	0	0	110.4	I159 H160 D165 M166	I159-S163 PolarHBondContact O-N 3.34Å; H160-S163 CarbonylContact O-C 3.56Å; H160-S163 PolarHBondContact O-N 3.27Å; S163-D165 PolarHBondContact O-N 3.33Å; S163-M166 WeakPolarHBondContact O-CB 3.4Å; S163-M166 PolarHBondContact O-N 3.04Å
164	P	98.1	Very high	98.7	Very high	64 Å²	64	38.2 Å²	38.2	42%	0.416	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.2	173.4	-25.9	36.4	0	0	0	113.1	H160 M166 F231 H235	H160-P164 WeakPolarHBondContact O-CD 3.43Å; P164-M166 PolarHBondContact O-N 2.9Å; P164-F231 VanDerWaalsContact O-CE1 3.32Å; P164-F231 WeakPolarHBondContact O-CE1 3.44Å; P164-H235 PolarHBondContact O-CE1 2.9Å; P164-H235 VanDerWaalsContact O-CE1 3.22Å; P164-H235 PolarHBondContact O-ND1 2.96Å
165	D	97.7	Very high	98.7	Very high	127 Å²	127	34.4 Å²	34.4	68%	0.679	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	12.6	-179.3	-55.8	-43	0	0	0	113.7	S163 K167	S163-D165 PolarHBondContact O-N 3.33Å; D165-K167 PolarHBondContact O-N 3.24Å
166	M	98.8	Very high	98.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.178	C	C	.	.			trans	-60.4	128	-177.8	-176.5	63.6	67.3	0	0	111.8	P83 Q84 L86 I159 M162 S163 P164 L168 F231	P83-M166 WeakPolarHBondContact O-CE 3.26Å; Q84-M166 VanDerWaalsContact C-SD 3.52Å; L86-M166 HydrophobicContact CD1-CE 4.14Å; L86-M166 HydrophobicContact CD1-CG 4.12Å; L86-M166 HydrophobicContact CD1-SD 4.09Å; L86-M166 HydrophobicContact CG-CE 4.19Å; L86-M166 HydrophobicContact CG-CG 4.19Å; L86-M166 HydrophobicContact CG-SD 3.69Å; I159-M166 HydrophobicContact CG2-CB 4.06Å; I159-M166 HydrophobicContact CG2-CE 4.42Å; I159-M166 HydrophobicContact CG2-CG 3.77Å; M162-M166 HydrophobicContact CE-CE 3.26Å; S163-M166 WeakPolarHBondContact O-CB 3.4Å; S163-M166 PolarHBondContact O-N 3.04Å; P164-M166 PolarHBondContact O-N 2.9Å; M166-L168 HydrophobicContact CB-CD2 4.45Å; M166-L168 HydrophobicContact CG-CD2 3.62Å; M166-L168 HydrophobicContact CG-CG 4.26Å; M166-F231 HydrophobicContact CB-CE1 3.9Å; M166-F231 HydrophobicContact CB-CZ 4.2Å
167	K	98.9	Very high	98.6	Very high	73 Å²	73	36.6 Å²	36.6	32%	0.317	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.5	169.5	-68.5	-172.6	-179.9	-173.5	0	110.8	Q84 A85 L86 D165 F258 L259	Q84-K167 PolarHBondContact O-N 3.47Å; A85-K167 CarbonylContact C-O 3.6Å; A85-K167 WeakPolarHBondContact CA-O 3.48Å; A85-K167 HydrophobicContact CB-CB 3.95Å; L86-K167 PolarHBondContact N-O 2.87Å; D165-K167 PolarHBondContact O-N 3.24Å; K167-F258 HydrophobicContact CB-CE1 3.75Å; K167-F258 HydrophobicContact CB-CZ 3.89Å; K167-F258 HydrophobicContact CD-CE1 4.24Å; K167-F258 HydrophobicContact CD-CZ 4.33Å; K167-F258 WeakPolarHBondContact CD-O 3.38Å; K167-F258 WeakPolarHBondContact CE-O 3.14Å; K167-F258 HydrophobicContact CG-CE1 4.27Å; K167-F258 HydrophobicContact CG-CZ 4.12Å; K167-F258 PolarHBondContact NZ-O 3.36Å; K167-L259 HydrophobicContact CB-CD2 4.47Å; K167-L259 HydrophobicContact CD-CD2 4.16Å
168	L	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.6	-171.4	-59.2	171	0	0	0	110.3	L86 V88 I159 M166 W227 F231 H235 F236 L237	L86-L168 HydrophobicContact CB-CD2 4.31Å; L86-L168 HydrophobicContact CD1-CD2 4.47Å; V88-L168 HydrophobicContact CG1-CD2 3.79Å; I159-L168 HydrophobicContact CG2-CD2 4.3Å; M166-L168 HydrophobicContact CB-CD2 4.45Å; M166-L168 HydrophobicContact CG-CD2 3.62Å; M166-L168 HydrophobicContact CG-CG 4.26Å; L168-W227 HydrophobicContact CD1-CE3 3.7Å; L168-W227 HydrophobicContact CD1-CZ3 3.65Å; L168-W227 HydrophobicContact CD2-CZ3 3.95Å; L168-W227 HydrophobicContact CG-CZ3 4.42Å; L168-F231 HydrophobicContact CD1-CB 4.13Å; L168-F231 HydrophobicContact CD1-CD1 4.04Å; L168-F231 HydrophobicContact CD1-CD2 3.65Å; L168-F231 HydrophobicContact CD1-CE1 4.34Å; L168-F231 HydrophobicContact CD1-CE2 3.97Å; L168-F231 HydrophobicContact CD1-CG 3.66Å; L168-F231 HydrophobicContact CD1-CZ 4.3Å; L168-H235 PolarHBondContact N-O 2.76Å; L168-F236 HydrophobicContact CB-CD1 3.72Å; L168-F236 HydrophobicContact CB-CE1 3.71Å; L168-F236 HydrophobicContact CB-CG 4.34Å; L168-F236 HydrophobicContact CB-CZ 4.32Å; L168-F236 HydrophobicContact CD1-CD1 4.24Å; L168-F236 HydrophobicContact CD1-CE1 3.46Å; L168-F236 VanDerWaalsContact CD1-CE1 3.46Å; L168-F236 HydrophobicContact CD1-CE2 3.98Å; L168-F236 HydrophobicContact CD1-CZ 3.28Å; L168-F236 HydrophobicContact CG-CE1 4.23Å; L168-F236 HydrophobicContact CG-CZ 4.42Å; L168-F236 CarbonylContact O-C 3.56Å; L168-F236 VanDerWaalsContact O-CA 3.27Å; L168-F236 WeakPolarHBondContact O-CA 3.46Å; L168-L237 PolarHBondContact O-N 3.04Å
169	I	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129	-180	-60.3	165.1	0	0	0	109.4	L86 I87 V88 L98 M143 L237 V239 V255 F258 L259	L86-I169 PolarHBondContact O-N 2.91Å; I87-I169 CarbonylContact C-O 3.54Å; I87-I169 WeakPolarHBondContact CA-O 3.37Å; I87-I169 HydrophobicContact CG1-CB 4.21Å; I87-I169 HydrophobicContact CG1-CD1 4.44Å; I87-I169 HydrophobicContact CG1-CG2 4.45Å; V88-I169 PolarHBondContact N-O 2.99Å; L98-I169 HydrophobicContact CD2-CG2 3.69Å; M143-I169 HydrophobicContact CE-CD1 3.79Å; I169-L237 WeakPolarHBondContact CA-O 3.42Å; I169-L237 HydrophobicContact CG1-CB 4.43Å; I169-V239 HydrophobicContact CG2-CG2 3.81Å; I169-V255 HydrophobicContact CD1-CG1 3.74Å; I169-F258 HydrophobicContact CG1-CD1 4.16Å; I169-F258 HydrophobicContact CG1-CE1 3.92Å; I169-L259 HydrophobicContact CD1-CD2 4.28Å
170	V	98.9	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.5	177.6	-168.3	0	0	0	0	109.1	V88 G89 V90 F150 V172 F236 L237 F238 V239	V88-V170 HydrophobicContact CG2-CG2 3.82Å; G89-V170 CarbonylContact O-C 3.43Å; G89-V170 WeakPolarHBondContact O-CA 3.24Å; V90-V170 HydrophobicContact CG1-CG1 3.8Å; F150-V170 HydrophobicContact CD2-CG1 4.09Å; F150-V170 HydrophobicContact CD2-CG2 4.04Å; F150-V170 HydrophobicContact CE2-CG1 3.99Å; F150-V170 HydrophobicContact CE2-CG2 3.96Å; F150-V170 HydrophobicContact CG-CG1 4.45Å; F150-V170 HydrophobicContact CZ-CG1 4.24Å; V170-V172 HydrophobicContact CG1-CG1 3.73Å; V170-V172 PolarHBondContact O-N 3.28Å; V170-F236 HydrophobicContact CG2-CD1 4.19Å; V170-L237 PolarHBondContact N-O 3.15Å; V170-F238 HydrophobicContact CB-CD1 3.83Å; V170-F238 HydrophobicContact CB-CE1 4.1Å; V170-F238 HydrophobicContact CG1-CD1 4.42Å; V170-F238 HydrophobicContact CG2-CD1 4.25Å; V170-F238 HydrophobicContact CG2-CE1 4.03Å; V170-F238 WeakPolarHBondContact O-CA 3.42Å; V170-V239 PolarHBondContact O-N 2.62Å
171	V	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	101	171.9	-165.8	0	0	0	0	108.5	I87 G89 V90 G93 T95 L98 V239 L244	I87-V171 HydrophobicContact CG2-CG2 4.16Å; G89-V171 PolarHBondContact O-N 3.29Å; V90-V171 WeakPolarHBondContact CG2-O 3.42Å; V90-V171 PolarHBondContact N-O 3.47Å; G93-V171 WeakPolarHBondContact CA-O 3.26Å; G93-V171 WeakPolarHBondContact O-CG1 3.43Å; T95-V171 HydrophobicContact CG2-CB 4.06Å; T95-V171 HydrophobicContact CG2-CG2 4.12Å; L98-V171 HydrophobicContact CB-CG2 4.11Å; L98-V171 HydrophobicContact CD2-CG2 3.4Å; L98-V171 HydrophobicContact CG-CG2 4.39Å; V171-V239 CarbonylContact C-O 3.56Å; V171-V239 WeakPolarHBondContact CA-O 3.39Å; V171-V239 HydrophobicContact CB-CB 4.48Å; V171-V239 HydrophobicContact CG1-CB 4.37Å; V171-V239 HydrophobicContact CG1-CG1 4.18Å; V171-V239 HydrophobicContact CG2-CB 4.23Å; V171-V239 HydrophobicContact CG2-CG1 4.46Å; V171-L244 HydrophobicContact CG1-CD2 4.15Å
172	V	98.8	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	163.6	-179.6	-67.4	0	0	0	0	111	V170 Y220 V239 G241 F323 F331 W333	V170-V172 HydrophobicContact CG1-CG1 3.73Å; V170-V172 PolarHBondContact O-N 3.28Å; V172-Y220 HydrophobicContact CB-CD2 4.49Å; V172-Y220 HydrophobicContact CB-CE2 4.21Å; V172-Y220 HydrophobicContact CG1-CD2 4.3Å; V172-Y220 HydrophobicContact CG1-CE2 4.42Å; V172-V239 WeakPolarHBondContact CG2-O 3.48Å; V172-V239 PolarHBondContact N-O 3.07Å; V172-G241 VanDerWaalsContact O-CA 3.26Å; V172-G241 WeakPolarHBondContact O-CA 3.19Å; V172-G241 PolarHBondContact O-N 2.83Å; V172-F323 HydrophobicContact CG1-CE1 4.14Å; V172-F323 HydrophobicContact CG1-CZ 3.81Å; V172-F323 HydrophobicContact CG2-CE1 4.37Å; V172-F331 HydrophobicContact CG2-CD1 3.76Å; V172-F331 HydrophobicContact CG2-CE1 3.41Å; V172-F331 VanDerWaalsContact CG2-CE1 3.41Å; V172-F331 HydrophobicContact CG2-CE2 4.38Å; V172-F331 HydrophobicContact CG2-CG 4.4Å; V172-F331 HydrophobicContact CG2-CZ 3.77Å; V172-W333 HydrophobicContact CB-CH2 3.75Å; V172-W333 HydrophobicContact CG2-CH2 3.62Å; V172-W333 HydrophobicContact CG2-CZ2 4.32Å
173	R	98.7	Very high	98.5	Very high	58 Å²	58	22.5 Å²	22.5	22%	0.219	12%	0.121	C	C	.	.			trans	-153.8	155.7	-178	177.8	-179.6	176.4	167.7	8.8	108.3	T177 R178 Y220 E242 H301	R173-T177 PolarHBondContact NE-OG1 3.2Å; R173-R178 HydrophobicContact CB-CB 4.33Å; R173-R178 HydrophobicContact CG-CB 4.32Å; R173-Y220 VanDerWaalsContact O-CE2 3.26Å; R173-Y220 WeakPolarHBondContact O-CE2 3.16Å; R173-Y220 PolarHBondContact O-OH 3.34Å; R173-E242 WeakPolarHBondContact CG-OE1 3.49Å; R173-H301 PolarHBondContact NH2-CE1 3.34Å
174	N	98.8	Very high	98.5	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.123	11%	0.112	C	C	.	.			trans	-45.3	118	171	-179.7	-58.2	0	0	0	110.2	V176 T177 R178 E242 W333	N174-V176 PolarHBondContact O-N 3.01Å; N174-V176 VanDerWaalsContact O-N 3.16Å; N174-V176 WeakPolarHBondContact OD1-CB 3.43Å; N174-V176 PolarHBondContact OD1-N 2.76Å; N174-T177 HydrophobicContact CB-CG2 4.23Å; N174-T177 PolarHBondContact O-N 2.98Å; N174-T177 VanDerWaalsContact O-N 3.12Å; N174-T177 PolarHBondContact O-OG1 3.46Å; N174-T177 PolarHBondContact OD1-N 3.41Å; N174-R178 WeakPolarHBondContact O-CB 3.47Å; N174-R178 PolarHBondContact O-N 2.7Å; N174-E242 WeakPolarHBondContact CB-OE1 3.36Å; N174-E242 PolarHBondContact N-OE1 3.24Å; N174-W333 HydrophobicContact CB-CB 4.42Å; N174-W333 HydrophobicContact CB-CD2 4.13Å; N174-W333 HydrophobicContact CB-CG 3.76Å
175	P	98.8	Very high	98.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-62.7	-29.2	-167.4	23.6	-35	0	0	0	112.9	A179 Y220 Y316 N320	P175-A179 WeakPolarHBondContact O-CB 3.26Å; P175-A179 PolarHBondContact O-N 3.03Å; P175-Y220 HydrophobicContact CB-CE2 4.41Å; P175-Y316 HydrophobicContact CB-CD1 3.82Å; P175-Y316 HydrophobicContact CB-CD2 3.82Å; P175-Y316 HydrophobicContact CB-CE1 3.87Å; P175-Y316 HydrophobicContact CB-CE2 3.86Å; P175-Y316 HydrophobicContact CB-CG 3.79Å; P175-Y316 HydrophobicContact CG-CD1 3.95Å; P175-Y316 HydrophobicContact CG-CD2 3.76Å; P175-Y316 HydrophobicContact CG-CE1 4.5Å; P175-Y316 HydrophobicContact CG-CE2 4.32Å; P175-Y316 HydrophobicContact CG-CG 3.54Å; P175-N320 WeakPolarHBondContact CG-OD1 3.44Å
176	V	98.6	Very high	98.3	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-67.7	-52.7	175.1	-175.7	0	0	0	0	110.6	N174 R178 A179 I180 V309 L312 Q313 Y316	N174-V176 PolarHBondContact O-N 3.01Å; N174-V176 VanDerWaalsContact O-N 3.16Å; N174-V176 WeakPolarHBondContact OD1-CB 3.43Å; N174-V176 PolarHBondContact OD1-N 2.76Å; V176-R178 PolarHBondContact O-N 3.11Å; V176-A179 PolarHBondContact O-N 2.98Å; V176-I180 HydrophobicContact CG1-CD1 4.11Å; V176-I180 WeakPolarHBondContact O-CG1 3.39Å; V176-I180 PolarHBondContact O-N 2.74Å; V176-V309 HydrophobicContact CG1-CG1 4.16Å; V176-L312 HydrophobicContact CG1-CB 4.22Å; V176-L312 HydrophobicContact CG1-CD1 4.33Å; V176-L312 HydrophobicContact CG2-CB 3.85Å; V176-Q313 HydrophobicContact CG2-CG 3.87Å; V176-Y316 HydrophobicContact CG2-CD2 3.76Å; V176-Y316 HydrophobicContact CG2-CE2 4.18Å
177	T	98.3	Very high	98.1	Very high	46 Å²	46	19 Å²	19	28%	0.282	9%	0.094	S	C	.	.	H	α-helix	trans	-65.9	-31.1	179.5	72.4	0	0	0	0	111.9	R173 N174 S181	R173-T177 PolarHBondContact NE-OG1 3.2Å; N174-T177 HydrophobicContact CB-CG2 4.23Å; N174-T177 PolarHBondContact O-N 2.98Å; N174-T177 VanDerWaalsContact O-N 3.12Å; N174-T177 PolarHBondContact O-OG1 3.46Å; N174-T177 PolarHBondContact OD1-N 3.41Å; T177-S181 WeakPolarHBondContact O-CB 3.22Å; T177-S181 PolarHBondContact O-N 3.05Å
178	R	98.7	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-47.1	172.8	-171.1	-130.5	71.2	77.3	1.9	111.1	V90 K91 K92 R173 N174 V176 S181 D182 A214 Y220	V90-R178 HydrophobicContact CG2-CG 4.38Å; K91-R178 WeakPolarHBondContact O-CG 3.27Å; K91-R178 PolarHBondContact O-NH1 2.9Å; K92-R178 HydrophobicContact CB-CG 4.08Å; R173-R178 HydrophobicContact CB-CB 4.33Å; R173-R178 HydrophobicContact CG-CB 4.32Å; N174-R178 WeakPolarHBondContact O-CB 3.47Å; N174-R178 PolarHBondContact O-N 2.7Å; V176-R178 PolarHBondContact O-N 3.11Å; R178-S181 WeakPolarHBondContact O-CB 3.33Å; R178-S181 PolarHBondContact O-N 3.42Å; R178-D182 IonicContact CZ-OD2 3.86Å; R178-D182 IonicContact NH1-OD2 3.76Å; R178-D182 PolarHBondContact NH1-OD2 3.43Å; R178-D182 IonicContact NH2-OD2 3.88Å; R178-D182 PolarHBondContact NH2-OD2 3.38Å; R178-D182 PolarHBondContact O-N 2.99Å; R178-A214 VanDerWaalsContact NH2-C 3.31Å; R178-A214 VanDerWaalsContact NH2-CA 3.3Å; R178-A214 PolarHBondContact NH2-O 3.31Å; R178-Y220 VanDerWaalsContact CD-OH 3.3Å; R178-Y220 WeakPolarHBondContact CD-OH 3.49Å
179	A	98.6	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-45.3	176.3	0	0	0	0	0	112	P175 V176 S181 D182 Y183 F196 A214	P175-A179 WeakPolarHBondContact O-CB 3.26Å; P175-A179 PolarHBondContact O-N 3.03Å; V176-A179 PolarHBondContact O-N 2.98Å; A179-S181 VanDerWaalsContact C-N 3.32Å; A179-S181 PolarHBondContact O-N 2.96Å; A179-D182 WeakPolarHBondContact O-CB 3.22Å; A179-D182 PolarHBondContact O-N 2.76Å; A179-D182 VanDerWaalsContact O-N 3.15Å; A179-Y183 PolarHBondContact O-N 2.83Å; A179-F196 HydrophobicContact CB-CE2 4.29Å; A179-F196 HydrophobicContact CB-CZ 4.19Å; A179-A214 HydrophobicContact CB-CB 4.47Å; A179-A214 VanDerWaalsContact CB-O 3.25Å; A179-A214 WeakPolarHBondContact CB-O 3.42Å
180	I	98.4	Very high	97.3	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.082	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-42.2	175.7	-63.7	170.1	0	0	0	110.7	V176 D182 Y183 A184 F196 H301 V304	V176-I180 HydrophobicContact CG1-CD1 4.11Å; V176-I180 WeakPolarHBondContact O-CG1 3.39Å; V176-I180 PolarHBondContact O-N 2.74Å; I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 PolarHBondContact O-N 3.32Å; I180-Y183 PolarHBondContact O-N 3.39Å; I180-A184 WeakPolarHBondContact O-CB 3.2Å; I180-A184 PolarHBondContact O-N 3.45Å; I180-F196 HydrophobicContact CB-CE2 4.36Å; I180-F196 HydrophobicContact CG1-CD2 4.37Å; I180-F196 HydrophobicContact CG1-CE1 4.21Å; I180-F196 HydrophobicContact CG1-CE2 3.78Å; I180-F196 HydrophobicContact CG1-CZ 3.69Å; I180-H301 HydrophobicContact CG2-CB 3.88Å; I180-V304 HydrophobicContact CD1-CB 4.26Å; I180-V304 HydrophobicContact CD1-CG2 3.98Å; I180-V304 HydrophobicContact CG1-CG2 4.06Å; I180-V304 HydrophobicContact CG2-CG2 4.22Å
181	S	98	Very high	96.9	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-32.9	176.9	-162.4	0	0	0	0	112.8	K92 T177 R178 A179 Q185 H301	K92-S181 VanDerWaalsContact CE-O 3.24Å; K92-S181 WeakPolarHBondContact CE-O 3.43Å; K92-S181 WeakPolarHBondContact CE-OG 3.36Å; T177-S181 WeakPolarHBondContact O-CB 3.22Å; T177-S181 PolarHBondContact O-N 3.05Å; R178-S181 WeakPolarHBondContact O-CB 3.33Å; R178-S181 PolarHBondContact O-N 3.42Å; A179-S181 VanDerWaalsContact C-N 3.32Å; A179-S181 PolarHBondContact O-N 2.96Å; S181-Q185 PolarHBondContact O-N 2.91Å; S181-H301 WeakPolarHBondContact CB-NE2 3.49Å; S181-H301 PolarHBondContact OG-NE2 2.94Å
182	D	98.1	Very high	96.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-49.3	175.2	-152	-17.6	0	0	0	110.5	K91 K92 R178 A179 I180 A184 Q185 M186 A214	K91-D182 WeakPolarHBondContact CD-OD2 3.2Å; K91-D182 WeakPolarHBondContact CE-OD1 3.14Å; K91-D182 IonicContact NZ-OD1 2.65Å; K91-D182 PolarHBondContact NZ-OD1 2.9Å; K91-D182 IonicContact NZ-OD2 3.72Å; K91-D182 PolarHBondContact NZ-OD2 3.33Å; K92-D182 HydrophobicContact CG-CB 3.92Å; R178-D182 IonicContact CZ-OD2 3.86Å; R178-D182 IonicContact NH1-OD2 3.76Å; R178-D182 PolarHBondContact NH1-OD2 3.43Å; R178-D182 IonicContact NH2-OD2 3.88Å; R178-D182 PolarHBondContact NH2-OD2 3.38Å; R178-D182 PolarHBondContact O-N 2.99Å; A179-D182 WeakPolarHBondContact O-CB 3.22Å; A179-D182 PolarHBondContact O-N 2.76Å; A179-D182 VanDerWaalsContact O-N 3.15Å; I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 PolarHBondContact O-N 3.32Å; D182-A184 PolarHBondContact O-N 3.15Å; D182-Q185 WeakPolarHBondContact O-CB 3.47Å; D182-Q185 PolarHBondContact O-N 3.42Å; D182-Q185 VanDerWaalsContact O-N 3.08Å; D182-M186 WeakPolarHBondContact O-CG 3.49Å; D182-M186 PolarHBondContact O-N 3.41Å; D182-A214 HydrophobicContact CB-CB 4.07Å
183	Y	97.8	Very high	96.2	Very high	14 Å²	14	39.3 Å²	39.3	6%	0.055	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-45.2	174.1	176.4	-105.8	0	0	0	112.8	A179 I180 Q185 M186 L187 L193 P194 S195 F196 L199 W212 P302	A179-Y183 PolarHBondContact O-N 2.83Å; I180-Y183 PolarHBondContact O-N 3.39Å; Y183-Q185 PolarHBondContact O-N 3.13Å; Y183-M186 HydrophobicContact CD2-CE 4.36Å; Y183-M186 PolarHBondContact O-N 3.18Å; Y183-L187 HydrophobicContact CE1-CD2 4.38Å; Y183-L187 WeakPolarHBondContact O-CB 3.44Å; Y183-L187 PolarHBondContact O-N 3.35Å; Y183-L193 HydrophobicContact CD2-CD1 4.14Å; Y183-L193 HydrophobicContact CE2-CB 4.11Å; Y183-L193 HydrophobicContact CE2-CD1 3.85Å; Y183-P194 WeakPolarHBondContact CE2-O 3.43Å; Y183-P194 PolarHBondContact OH-O 2.99Å; Y183-S195 WeakPolarHBondContact OH-CA 3.47Å; Y183-F196 HydrophobicContact CD1-CB 3.9Å; Y183-F196 AromaticContact CD1-CD2 3.81Å; Y183-F196 HydrophobicContact CD1-CD2 3.81Å; Y183-F196 HydrophobicContact CD1-CG 4.34Å; Y183-F196 HydrophobicContact CD2-CD2 4.37Å; Y183-F196 HydrophobicContact CE1-CB 3.84Å; Y183-F196 HydrophobicContact CG-CB 4.31Å; Y183-F196 AromaticContact CG-CD2 3.67Å; Y183-F196 HydrophobicContact CG-CD2 3.67Å; Y183-F196 HydrophobicContact CG-CG 4.49Å; Y183-F196 PolarHBondContact OH-N 2.86Å; Y183-L199 HydrophobicContact CD2-CD1 3.96Å; Y183-L199 HydrophobicContact CE2-CD1 3.73Å; Y183-W212 HydrophobicContact CD2-CH2 4.3Å; Y183-W212 HydrophobicContact CD2-CZ2 4.04Å; Y183-P302 HydrophobicContact CD1-CG 3.73Å; Y183-P302 HydrophobicContact CE1-CG 3.84Å
184	A	96.9	Very high	96.1	Very high	9 Å²	9	39.3 Å²	39.3	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-36.5	175.7	0	0	0	0	0	112.2	I180 D182 S188	I180-A184 WeakPolarHBondContact O-CB 3.2Å; I180-A184 PolarHBondContact O-N 3.45Å; D182-A184 PolarHBondContact O-N 3.15Å; A184-S188 PolarHBondContact O-N 3.48Å
185	Q	96.1	Very high	95.9	Very high	42 Å²	42	41.4 Å²	41.4	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-70.5	-41.5	174.2	176.3	175.5	-28.9	0	0	112.1	S181 D182 Y183 S188 K189	S181-Q185 PolarHBondContact O-N 2.91Å; D182-Q185 WeakPolarHBondContact O-CB 3.47Å; D182-Q185 PolarHBondContact O-N 3.42Å; D182-Q185 VanDerWaalsContact O-N 3.08Å; Y183-Q185 PolarHBondContact O-N 3.13Å; Q185-S188 PolarHBondContact O-N 3.08Å; Q185-S188 PolarHBondContact O-OG 3.15Å; Q185-K189 PolarHBondContact O-N 3.31Å
186	M	95.4	Very high	95.8	Very high	44 Å²	44	41.8 Å²	41.8	22%	0.217	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-46.5	176.3	-65.7	-174	-70.9	0	0	110.5	D182 Y183 S188 K189 T190 L193 W212 A214	D182-M186 WeakPolarHBondContact O-CG 3.49Å; D182-M186 PolarHBondContact O-N 3.41Å; Y183-M186 HydrophobicContact CD2-CE 4.36Å; Y183-M186 PolarHBondContact O-N 3.18Å; M186-S188 VanDerWaalsContact C-N 3.28Å; M186-S188 PolarHBondContact O-N 3.04Å; M186-K189 PolarHBondContact O-N 2.95Å; M186-T190 PolarHBondContact O-N 3.13Å; M186-L193 HydrophobicContact CB-CD1 3.55Å; M186-W212 HydrophobicContact CE-CZ2 3.58Å; M186-A214 HydrophobicContact CE-CB 4.17Å
187	L	94.6	Very high	95.7	Very high	58 Å²	58	46.8 Å²	46.8	30%	0.304	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-38.6	178.8	-172.5	64.7	0	0	0	112.2	Y183 K189 T190 L193	Y183-L187 HydrophobicContact CE1-CD2 4.38Å; Y183-L187 WeakPolarHBondContact O-CB 3.44Å; Y183-L187 PolarHBondContact O-N 3.35Å; L187-K189 PolarHBondContact O-N 3.49Å; L187-T190 CarbonylContact O-C 3.38Å; L187-T190 PolarHBondContact O-N 2.96Å; L187-L193 HydrophobicContact CB-CD1 4.15Å; L187-L193 HydrophobicContact CD1-CB 4.12Å; L187-L193 HydrophobicContact CD1-CD1 4.43Å; L187-L193 HydrophobicContact CD1-CG 4.21Å
188	S	93.2	Very high	95.6	Very high	68 Å²	68	47.5 Å²	47.5	48%	0.476	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-18.5	176.5	71.8	0	0	0	0	114.8	A184 Q185 M186	A184-S188 PolarHBondContact O-N 3.48Å; Q185-S188 PolarHBondContact O-N 3.08Å; Q185-S188 PolarHBondContact O-OG 3.15Å; M186-S188 VanDerWaalsContact C-N 3.28Å; M186-S188 PolarHBondContact O-N 3.04Å
189	K	93.4	Very high	95.5	Very high	150 Å²	150	49.1 Å²	49.1	65%	0.652	29%	0.294	S	S	*	.	H	α-helix	trans	-101.7	-27.5	178.9	-68.5	-174.9	173.5	-162.7	0	112.6	Q185 M186 L187	Q185-K189 PolarHBondContact O-N 3.31Å; M186-K189 PolarHBondContact O-N 2.95Å; L187-K189 PolarHBondContact O-N 3.49Å
190	T	93.5	Very high	95.4	Very high	70 Å²	70	49.1 Å²	49.1	43%	0.429	29%	0.294	S	S	.	.	S	Bend	trans	-133.8	87.1	-176.4	-53.2	0	0	0	0	107.3	M186 L187 L193	M186-T190 PolarHBondContact O-N 3.13Å; L187-T190 CarbonylContact O-C 3.38Å; L187-T190 PolarHBondContact O-N 2.96Å; T190-L193 HydrophobicContact CG2-CD2 3.66Å; T190-L193 VanDerWaalsContact O-CG 3.31Å; T190-L193 WeakPolarHBondContact O-CG 3.36Å
191	P	90.3	Very high	95.4	Very high	114 Å²	114	48.7 Å²	48.7	74%	0.74	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	145.5	171.9	-23.6	34.9	0	0	0	110.6
192	G	91.3	Very high	95	Very high	74 Å²	74	56.6 Å²	56.6	76%	0.763	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	15.9	178.5	0	0	0	0	0	115.8
193	L	93.4	Very high	94.6	Very high	23 Å²	23	64.2 Å²	64.2	12%	0.12	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-54.8	148.1	168.3	-60	-177.2	0	0	0	110.7	Y34 Y183 M186 L187 T190	Y34-L193 WeakPolarHBondContact OH-CD2 3.5Å; Y183-L193 HydrophobicContact CD2-CD1 4.14Å; Y183-L193 HydrophobicContact CE2-CB 4.11Å; Y183-L193 HydrophobicContact CE2-CD1 3.85Å; M186-L193 HydrophobicContact CB-CD1 3.55Å; L187-L193 HydrophobicContact CB-CD1 4.15Å; L187-L193 HydrophobicContact CD1-CB 4.12Å; L187-L193 HydrophobicContact CD1-CD1 4.43Å; L187-L193 HydrophobicContact CD1-CG 4.21Å; T190-L193 HydrophobicContact CG2-CD2 3.66Å; T190-L193 VanDerWaalsContact O-CG 3.31Å; T190-L193 WeakPolarHBondContact O-CG 3.36Å
194	P	95.1	Very high	94.2	Very high	58 Å²	58	65.3 Å²	65.3	38%	0.377	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-52.8	156.1	164.2	-23.1	33.4	0	0	0	111.4	Y183 A198 L199	Y183-P194 WeakPolarHBondContact CE2-O 3.43Å; Y183-P194 PolarHBondContact OH-O 2.99Å; P194-A198 HydrophobicContact CB-CB 4.1Å; P194-L199 HydrophobicContact CB-CD2 4.01Å; P194-L199 HydrophobicContact CB-CG 4.11Å; P194-L199 HydrophobicContact CG-CD2 4.06Å
195	S	95.5	Very high	93.8	Very high	67 Å²	67	68 Å²	68	47%	0.469	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-56.6	152.8	179.1	73.8	0	0	0	0	111.7	Y183 R197 A198 L199	Y183-S195 WeakPolarHBondContact OH-CA 3.47Å; S195-R197 PolarHBondContact O-N 3.11Å; S195-R197 VanDerWaalsContact O-N 3.15Å; S195-A198 PolarHBondContact O-N 2.95Å; S195-A198 WeakPolarHBondContact OG-CB 3.15Å; S195-A198 PolarHBondContact OG-N 3.27Å; S195-A198 VanDerWaalsContact OG-N 3.15Å; S195-L199 PolarHBondContact O-N 2.91Å; S195-L199 VanDerWaalsContact O-N 3.16Å
196	F	96.8	Very high	93.5	Very high	9 Å²	9	67.2 Å²	67.2	4%	0.039	39%	0.386	C	S	.	.	H	α-helix	trans	-50.8	-40.7	175.1	-178.8	-90.3	0	0	0	112.1	A179 I180 Y183 L199 A200 W212 V304 V308 L312	A179-F196 HydrophobicContact CB-CE2 4.29Å; A179-F196 HydrophobicContact CB-CZ 4.19Å; I180-F196 HydrophobicContact CB-CE2 4.36Å; I180-F196 HydrophobicContact CG1-CD2 4.37Å; I180-F196 HydrophobicContact CG1-CE1 4.21Å; I180-F196 HydrophobicContact CG1-CE2 3.78Å; I180-F196 HydrophobicContact CG1-CZ 3.69Å; Y183-F196 HydrophobicContact CD1-CB 3.9Å; Y183-F196 AromaticContact CD1-CD2 3.81Å; Y183-F196 HydrophobicContact CD1-CD2 3.81Å; Y183-F196 HydrophobicContact CD1-CG 4.34Å; Y183-F196 HydrophobicContact CD2-CD2 4.37Å; Y183-F196 HydrophobicContact CE1-CB 3.84Å; Y183-F196 HydrophobicContact CG-CB 4.31Å; Y183-F196 AromaticContact CG-CD2 3.67Å; Y183-F196 HydrophobicContact CG-CD2 3.67Å; Y183-F196 HydrophobicContact CG-CG 4.49Å; Y183-F196 PolarHBondContact OH-N 2.86Å; F196-L199 PolarHBondContact O-N 3.04Å; F196-A200 HydrophobicContact CD1-CB 4.4Å; F196-A200 HydrophobicContact CE1-CB 4.14Å; F196-A200 WeakPolarHBondContact O-CB 3.05Å; F196-A200 PolarHBondContact O-N 3.38Å; F196-W212 AromaticContact CD2-CH2 3.66Å; F196-W212 HydrophobicContact CD2-CH2 3.66Å; F196-W212 HydrophobicContact CD2-CZ3 4.22Å; F196-W212 AromaticContact CE2-CH2 3.56Å; F196-W212 HydrophobicContact CE2-CH2 3.56Å; F196-W212 AromaticContact CE2-CZ3 3.83Å; F196-W212 HydrophobicContact CE2-CZ3 3.83Å; F196-W212 HydrophobicContact CG-CH2 4.49Å; F196-W212 HydrophobicContact CZ-CH2 4.34Å; F196-W212 HydrophobicContact CZ-CZ3 4.16Å; F196-V304 HydrophobicContact CB-CG2 4.3Å; F196-V304 HydrophobicContact CD1-CG1 3.81Å; F196-V304 HydrophobicContact CD1-CG2 4.1Å; F196-V304 HydrophobicContact CE1-CG1 4.19Å; F196-V304 HydrophobicContact CG-CG2 4.13Å; F196-V308 HydrophobicContact CD1-CG1 3.89Å; F196-V308 HydrophobicContact CE1-CG1 3.86Å; F196-L312 HydrophobicContact CE1-CD1 3.47Å; F196-L312 VanDerWaalsContact CE1-CD1 3.47Å; F196-L312 HydrophobicContact CZ-CD1 3.69Å
197	R	96.8	Very high	93.5	Very high	109 Å²	109	69.2 Å²	69.2	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-48.6	176	178.6	-177.2	173.9	-178.4	-1.3	111.8	S195 L199 A200 F201 G204 L205 V308	S195-R197 PolarHBondContact O-N 3.11Å; S195-R197 VanDerWaalsContact O-N 3.15Å; R197-L199 PolarHBondContact O-N 3.03Å; R197-A200 PolarHBondContact O-N 3.11Å; R197-A200 VanDerWaalsContact O-N 3.17Å; R197-F201 HydrophobicContact CG-CD2 4.04Å; R197-F201 HydrophobicContact CG-CE2 4.43Å; R197-F201 WeakPolarHBondContact O-CD2 3.29Å; R197-F201 PolarHBondContact O-N 3.19Å; R197-G204 PolarHBondContact NE-O 3Å; R197-G204 VanDerWaalsContact NE-O 3.15Å; R197-L205 HydrophobicContact CG-CD2 4.09Å; R197-V308 HydrophobicContact CB-CG2 4Å; R197-V308 HydrophobicContact CG-CG2 3.94Å
198	A	95.6	Very high	93.6	Very high	60 Å²	60	67 Å²	67	50%	0.496	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-28.5	-177.7	0	0	0	0	0	112.9	P194 S195	P194-A198 HydrophobicContact CB-CB 4.1Å; S195-A198 PolarHBondContact O-N 2.95Å; S195-A198 WeakPolarHBondContact OG-CB 3.15Å; S195-A198 PolarHBondContact OG-N 3.27Å; S195-A198 VanDerWaalsContact OG-N 3.15Å
199	L	96.4	Very high	93.8	Very high	35 Å²	35	65.4 Å²	65.4	18%	0.183	38%	0.378	C	S	.	.	H	α-helix	trans	-86.8	-28.8	175.4	-60.7	175.3	0	0	0	113.2	Y183 P194 S195 F196 R197 W212	Y183-L199 HydrophobicContact CD2-CD1 3.96Å; Y183-L199 HydrophobicContact CE2-CD1 3.73Å; P194-L199 HydrophobicContact CB-CD2 4.01Å; P194-L199 HydrophobicContact CB-CG 4.11Å; P194-L199 HydrophobicContact CG-CD2 4.06Å; S195-L199 PolarHBondContact O-N 2.91Å; S195-L199 VanDerWaalsContact O-N 3.16Å; F196-L199 PolarHBondContact O-N 3.04Å; R197-L199 PolarHBondContact O-N 3.03Å; L199-W212 HydrophobicContact CB-CD2 3.91Å; L199-W212 HydrophobicContact CB-CE3 4.15Å; L199-W212 HydrophobicContact CB-CG 4.45Å; L199-W212 HydrophobicContact CB-CH2 4.08Å; L199-W212 HydrophobicContact CB-CZ2 3.8Å; L199-W212 HydrophobicContact CB-CZ3 4.25Å; L199-W212 HydrophobicContact CD1-CZ2 3.84Å; L199-W212 HydrophobicContact CG-CZ2 4.5Å
200	A	96.9	Very high	94	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-81.4	-19	-175.8	0	0	0	0	0	114	F196 R197 V208 D209 W212	F196-A200 HydrophobicContact CD1-CB 4.4Å; F196-A200 HydrophobicContact CE1-CB 4.14Å; F196-A200 WeakPolarHBondContact O-CB 3.05Å; F196-A200 PolarHBondContact O-N 3.38Å; R197-A200 PolarHBondContact O-N 3.11Å; R197-A200 VanDerWaalsContact O-N 3.17Å; A200-V208 CarbonylContact O-C 3.59Å; A200-V208 WeakPolarHBondContact O-CA 3.21Å; A200-D209 PolarHBondContact O-N 3.18Å; A200-W212 HydrophobicContact CB-CE3 4.18Å; A200-W212 HydrophobicContact CB-CZ3 3.86Å
201	F	97.2	Very high	94.2	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-134.1	143.2	-176.1	-56.4	-83.2	0	0	0	110.9	R197 L205 G206 P207 V208 V308 R311 L312	R197-F201 HydrophobicContact CG-CD2 4.04Å; R197-F201 HydrophobicContact CG-CE2 4.43Å; R197-F201 WeakPolarHBondContact O-CD2 3.29Å; R197-F201 PolarHBondContact O-N 3.19Å; F201-L205 HydrophobicContact CD2-CD2 4.06Å; F201-L205 HydrophobicContact CE2-CD2 3.77Å; F201-L205 HydrophobicContact CZ-CD2 4.14Å; F201-G206 WeakPolarHBondContact CD1-O 3.32Å; F201-P207 WeakPolarHBondContact CA-O 3.4Å; F201-V208 HydrophobicContact CD1-CG2 3.91Å; F201-V208 HydrophobicContact CE1-CG2 3.5Å; F201-V208 HydrophobicContact CZ-CG2 4.44Å; F201-V308 HydrophobicContact CE2-CB 4.35Å; F201-V308 HydrophobicContact CE2-CG1 3.76Å; F201-V308 HydrophobicContact CE2-CG2 4.22Å; F201-V308 HydrophobicContact CZ-CG1 4.25Å; F201-R311 HydrophobicContact CE1-CB 4.16Å; F201-R311 HydrophobicContact CE1-CG 3.49Å; F201-R311 VanDerWaalsContact CE1-CG 3.49Å; F201-R311 HydrophobicContact CZ-CB 4.02Å; F201-R311 HydrophobicContact CZ-CG 3.89Å; F201-L312 HydrophobicContact CZ-CD2 4.38Å; F201-L312 HydrophobicContact CZ-CG 4.15Å
202	R	91.6	Very high	94.5	Very high	177 Å²	177	56.9 Å²	56.9	67%	0.668	34%	0.34	S	S	*	.	S	Bend	trans	-69	-36.6	179.2	-62.3	-173.1	-176.6	176.2	3.6	113	P207 D209	R202-P207 PolarHBondContact N-O 2.92Å; R202-P207 VanDerWaalsContact N-O 3.14Å; R202-D209 HydrophobicContact CG-CB 3.94Å; R202-D209 IonicContact NE-OD1 2.83Å
203	H	88.3	Confident	94.8	Very high	160 Å²	160	55.3 Å²	55.3	74%	0.741	32%	0.318	S	S	*	.	S	Bend	trans	-149.9	125.3	177.5	-175	-95.5	0	0	0	110.3	L205 G206	H203-L205 PolarHBondContact O-N 3.21Å; H203-G206 WeakPolarHBondContact O-CA 3.45Å; H203-G206 PolarHBondContact O-N 3.22Å
204	G	88.9	Confident	94.9	Very high	37 Å²	37	54.2 Å²	54.2	38%	0.381	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-121	175.8	0	0	0	0	0	114.5	R197	R197-G204 PolarHBondContact NE-O 3Å; R197-G204 VanDerWaalsContact NE-O 3.15Å
205	L	89.7	Confident	95.1	Very high	65 Å²	65	51.5 Å²	51.5	34%	0.34	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	33.4	167.1	-70.4	-179.9	0	0	0	110.8	R197 F201 H203 A307 V308	R197-L205 HydrophobicContact CG-CD2 4.09Å; F201-L205 HydrophobicContact CD2-CD2 4.06Å; F201-L205 HydrophobicContact CE2-CD2 3.77Å; F201-L205 HydrophobicContact CZ-CD2 4.14Å; H203-L205 PolarHBondContact O-N 3.21Å; L205-A307 HydrophobicContact CD1-CB 3.95Å; L205-V308 HydrophobicContact CD2-CB 4.45Å; L205-V308 HydrophobicContact CD2-CG2 3.53Å
206	G	90.3	Very high	95.2	Very high	27 Å²	27	53.6 Å²	53.6	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	-78	-137.1	-179	0	0	0	0	0	113	F201 H203 V208	F201-G206 WeakPolarHBondContact CD1-O 3.32Å; H203-G206 WeakPolarHBondContact O-CA 3.45Å; H203-G206 PolarHBondContact O-N 3.22Å; G206-V208 PolarHBondContact O-N 3.38Å
207	P	94.8	Very high	95.3	Very high	85 Å²	85	53.8 Å²	53.8	55%	0.552	29%	0.293	S	S	*	.	S	Bend	trans	-59.3	132.8	177.3	-24.8	35.1	0	0	0	112.2	F201 R202	F201-P207 WeakPolarHBondContact CA-O 3.4Å; R202-P207 PolarHBondContact N-O 2.92Å; R202-P207 VanDerWaalsContact N-O 3.14Å
208	V	97.5	Very high	95.4	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.067	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-63.9	133.8	171.6	173.4	0	0	0	0	108.9	A200 F201 G206 T210 V215 L312 F315	A200-V208 CarbonylContact O-C 3.59Å; A200-V208 WeakPolarHBondContact O-CA 3.21Å; F201-V208 HydrophobicContact CD1-CG2 3.91Å; F201-V208 HydrophobicContact CE1-CG2 3.5Å; F201-V208 HydrophobicContact CZ-CG2 4.44Å; G206-V208 PolarHBondContact O-N 3.38Å; V208-T210 PolarHBondContact O-N 3.45Å; V208-V215 HydrophobicContact CG1-CB 4.4Å; V208-V215 HydrophobicContact CG1-CG1 3.59Å; V208-V215 HydrophobicContact CG1-CG2 3.96Å; V208-L312 HydrophobicContact CG1-CD2 3.88Å; V208-L312 HydrophobicContact CG2-CD2 3.88Å; V208-F315 HydrophobicContact CB-CB 4.49Å; V208-F315 HydrophobicContact CB-CD1 4.35Å; V208-F315 HydrophobicContact CB-CD2 3.74Å; V208-F315 HydrophobicContact CB-CE2 4.04Å; V208-F315 HydrophobicContact CB-CG 3.92Å; V208-F315 HydrophobicContact CB-CZ 4.47Å; V208-F315 HydrophobicContact CG1-CD1 3.92Å; V208-F315 HydrophobicContact CG1-CD2 4.12Å; V208-F315 HydrophobicContact CG1-CE1 3.95Å; V208-F315 HydrophobicContact CG1-CE2 4.14Å; V208-F315 HydrophobicContact CG1-CG 4.02Å; V208-F315 HydrophobicContact CG1-CZ 4.07Å; V208-F315 HydrophobicContact CG2-CB 3.75Å; V208-F315 HydrophobicContact CG2-CD1 4.31Å; V208-F315 HydrophobicContact CG2-CD2 3.91Å; V208-F315 HydrophobicContact CG2-CG 3.71Å
209	D	97.6	Very high	95.5	Very high	36 Å²	36	46.1 Å²	46.1	19%	0.193	25%	0.252	C	S	.	.			trans	-82.8	101	177.2	-174.1	20.6	0	0	0	111.6	A200 R202 A211 W212 V215	A200-D209 PolarHBondContact O-N 3.18Å; R202-D209 HydrophobicContact CG-CB 3.94Å; R202-D209 IonicContact NE-OD1 2.83Å; D209-A211 VanDerWaalsContact C-N 3.26Å; D209-A211 PolarHBondContact O-N 3.19Å; D209-A211 WeakPolarHBondContact OD1-CB 3.46Å; D209-A211 PolarHBondContact OD1-N 3.31Å; D209-W212 PolarHBondContact O-N 3.04Å; D209-V215 WeakPolarHBondContact O-CB 3.26Å
210	T	97	Very high	95.7	Very high	51 Å²	51	44.6 Å²	44.6	31%	0.313	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.5	177.1	58	0	0	0	0	113.5	V208 W212 V215 R216 M219 F315	V208-T210 PolarHBondContact O-N 3.45Å; T210-W212 VanDerWaalsContact C-N 3.3Å; T210-V215 HydrophobicContact CG2-CG1 4.45Å; T210-R216 WeakPolarHBondContact O-CB 3.3Å; T210-M219 HydrophobicContact CG2-CE 4.44Å; T210-M219 HydrophobicContact CG2-SD 4.2Å; T210-F315 HydrophobicContact CG2-CE2 3.9Å; T210-F315 HydrophobicContact CG2-CZ 3.59Å
211	A	96.6	Very high	95.8	Very high	74 Å²	74	44.6 Å²	44.6	61%	0.612	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.6	172.5	0	0	0	0	0	111	D209 S213	D209-A211 VanDerWaalsContact C-N 3.26Å; D209-A211 PolarHBondContact O-N 3.19Å; D209-A211 WeakPolarHBondContact OD1-CB 3.46Å; D209-A211 PolarHBondContact OD1-N 3.31Å; A211-S213 PolarHBondContact O-N 2.92Å
212	W	97.5	Very high	95.8	Very high	29 Å²	29	48 Å²	48	11%	0.11	26%	0.26	C	S	.	.	S	Bend	trans	-65.5	121.7	178.1	-174.5	47.2	0	0	0	111.5	Y183 M186 F196 L199 A200 D209 T210 A214 V215 R216	Y183-W212 HydrophobicContact CD2-CH2 4.3Å; Y183-W212 HydrophobicContact CD2-CZ2 4.04Å; M186-W212 HydrophobicContact CE-CZ2 3.58Å; F196-W212 AromaticContact CD2-CH2 3.66Å; F196-W212 HydrophobicContact CD2-CH2 3.66Å; F196-W212 HydrophobicContact CD2-CZ3 4.22Å; F196-W212 AromaticContact CE2-CH2 3.56Å; F196-W212 HydrophobicContact CE2-CH2 3.56Å; F196-W212 AromaticContact CE2-CZ3 3.83Å; F196-W212 HydrophobicContact CE2-CZ3 3.83Å; F196-W212 HydrophobicContact CG-CH2 4.49Å; F196-W212 HydrophobicContact CZ-CH2 4.34Å; F196-W212 HydrophobicContact CZ-CZ3 4.16Å; L199-W212 HydrophobicContact CB-CD2 3.91Å; L199-W212 HydrophobicContact CB-CE3 4.15Å; L199-W212 HydrophobicContact CB-CG 4.45Å; L199-W212 HydrophobicContact CB-CH2 4.08Å; L199-W212 HydrophobicContact CB-CZ2 3.8Å; L199-W212 HydrophobicContact CB-CZ3 4.25Å; L199-W212 HydrophobicContact CD1-CZ2 3.84Å; L199-W212 HydrophobicContact CG-CZ2 4.5Å; A200-W212 HydrophobicContact CB-CE3 4.18Å; A200-W212 HydrophobicContact CB-CZ3 3.86Å; D209-W212 PolarHBondContact O-N 3.04Å; T210-W212 VanDerWaalsContact C-N 3.3Å; W212-A214 HydrophobicContact CD2-CB 3.78Å; W212-A214 HydrophobicContact CE3-CB 3.91Å; W212-A214 HydrophobicContact CH2-CB 3.62Å; W212-A214 HydrophobicContact CZ2-CB 3.48Å; W212-A214 VanDerWaalsContact CZ2-CB 3.48Å; W212-A214 HydrophobicContact CZ3-CB 3.82Å; W212-A214 PolarHBondContact O-N 3.44Å; W212-A214 VanDerWaalsContact O-N 3.12Å; W212-V215 HydrophobicContact CE3-CB 4.44Å; W212-V215 HydrophobicContact CE3-CG2 3.63Å; W212-V215 HydrophobicContact CZ3-CG2 4.16Å; W212-V215 PolarHBondContact O-N 2.88Å; W212-R216 PolarHBondContact O-N 3.2Å
213	S	96.6	Very high	96.1	Very high	42 Å²	42	40.3 Å²	40.3	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-56.5	-34	-174.1	65.5	0	0	0	0	113.8	A211 V215 R216 I217	A211-S213 PolarHBondContact O-N 2.92Å; S213-V215 VanDerWaalsContact C-N 3.26Å; S213-V215 PolarHBondContact O-N 3.24Å; S213-R216 PolarHBondContact O-N 3.24Å; S213-I217 WeakPolarHBondContact O-CB 3.38Å; S213-I217 WeakPolarHBondContact O-CD1 3.16Å; S213-I217 WeakPolarHBondContact O-CG1 3.44Å; S213-I217 PolarHBondContact O-N 2.97Å
214	A	97.3	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-25.7	178	0	0	0	0	0	112.4	R178 A179 D182 M186 W212	R178-A214 VanDerWaalsContact NH2-C 3.31Å; R178-A214 VanDerWaalsContact NH2-CA 3.3Å; R178-A214 PolarHBondContact NH2-O 3.31Å; A179-A214 HydrophobicContact CB-CB 4.47Å; A179-A214 VanDerWaalsContact CB-O 3.25Å; A179-A214 WeakPolarHBondContact CB-O 3.42Å; D182-A214 HydrophobicContact CB-CB 4.07Å; M186-A214 HydrophobicContact CE-CB 4.17Å; W212-A214 HydrophobicContact CD2-CB 3.78Å; W212-A214 HydrophobicContact CE3-CB 3.91Å; W212-A214 HydrophobicContact CH2-CB 3.62Å; W212-A214 HydrophobicContact CZ2-CB 3.48Å; W212-A214 VanDerWaalsContact CZ2-CB 3.48Å; W212-A214 HydrophobicContact CZ3-CB 3.82Å; W212-A214 PolarHBondContact O-N 3.44Å; W212-A214 VanDerWaalsContact O-N 3.12Å
215	V	98.4	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-79.5	-52.8	170.1	165.5	0	0	0	0	110	V208 D209 T210 W212 S213 I217 G218 L312 F315 Y316	V208-V215 HydrophobicContact CG1-CB 4.4Å; V208-V215 HydrophobicContact CG1-CG1 3.59Å; V208-V215 HydrophobicContact CG1-CG2 3.96Å; D209-V215 WeakPolarHBondContact O-CB 3.26Å; T210-V215 HydrophobicContact CG2-CG1 4.45Å; W212-V215 HydrophobicContact CE3-CB 4.44Å; W212-V215 HydrophobicContact CE3-CG2 3.63Å; W212-V215 HydrophobicContact CZ3-CG2 4.16Å; W212-V215 PolarHBondContact O-N 2.88Å; S213-V215 VanDerWaalsContact C-N 3.26Å; S213-V215 PolarHBondContact O-N 3.24Å; V215-I217 VanDerWaalsContact C-N 3.32Å; V215-I217 PolarHBondContact O-N 3.01Å; V215-G218 PolarHBondContact O-N 3.06Å; V215-L312 HydrophobicContact CG2-CD2 4.39Å; V215-F315 HydrophobicContact CG1-CE1 3.76Å; V215-F315 HydrophobicContact CG1-CZ 4.14Å; V215-Y316 VanDerWaalsContact C-OH 3.32Å; V215-Y316 WeakPolarHBondContact CA-OH 3.3Å; V215-Y316 PolarHBondContact O-OH 3.38Å
216	R	98.4	Very high	97.5	Very high	112 Å²	112	34.9 Å²	34.9	42%	0.423	20%	0.196	S	C	.	.	H	α-helix	trans	-56.2	-39.7	-172.6	-169.7	164.3	55.9	95	-3.5	114.2	T210 W212 S213 G218 M219 H223	T210-R216 WeakPolarHBondContact O-CB 3.3Å; W212-R216 PolarHBondContact O-N 3.2Å; S213-R216 PolarHBondContact O-N 3.24Å; R216-G218 PolarHBondContact O-N 3.18Å; R216-M219 PolarHBondContact O-N 2.94Å; R216-H223 PolarHBondContact O-NE2 3.39Å
217	I	98.7	Very high	97.9	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.067	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.7	179.2	-68.3	163.1	0	0	0	111.8	V90 K91 V151 S213 V215 M219 Y220	V90-I217 HydrophobicContact CB-CG2 4.46Å; K91-I217 HydrophobicContact CB-CD1 4.45Å; K91-I217 HydrophobicContact CD-CD1 4.01Å; V151-I217 HydrophobicContact CG1-CB 4.45Å; V151-I217 HydrophobicContact CG1-CG1 4.07Å; V151-I217 HydrophobicContact CG1-CG2 4.34Å; V151-I217 HydrophobicContact CG2-CG1 4.43Å; S213-I217 WeakPolarHBondContact O-CB 3.38Å; S213-I217 WeakPolarHBondContact O-CD1 3.16Å; S213-I217 WeakPolarHBondContact O-CG1 3.44Å; S213-I217 PolarHBondContact O-N 2.97Å; V215-I217 VanDerWaalsContact C-N 3.32Å; V215-I217 PolarHBondContact O-N 3.01Å; I217-M219 VanDerWaalsContact C-N 3.25Å; I217-M219 PolarHBondContact O-N 3.09Å; I217-Y220 VanDerWaalsContact O-CD1 3.3Å; I217-Y220 WeakPolarHBondContact O-CD1 3.36Å; I217-Y220 VanDerWaalsContact O-CE1 3.26Å; I217-Y220 WeakPolarHBondContact O-CE1 3.34Å
218	G	98.5	Very high	98.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.4	-179.4	0	0	0	0	0	114.7	V215 R216 Y220	V215-G218 PolarHBondContact O-N 3.06Å; R216-G218 PolarHBondContact O-N 3.18Å; G218-Y220 PolarHBondContact O-N 3.01Å
219	M	98.6	Very high	98.2	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.039	20%	0.199	C	C	.	.			trans	-83.6	61.9	-179.1	-57.3	174	78.4	0	0	110.2	T210 R216 I217 A221 Q222 H223 F315 Y316 F319	T210-M219 HydrophobicContact CG2-CE 4.44Å; T210-M219 HydrophobicContact CG2-SD 4.2Å; R216-M219 PolarHBondContact O-N 2.94Å; I217-M219 VanDerWaalsContact C-N 3.25Å; I217-M219 PolarHBondContact O-N 3.09Å; M219-A221 VanDerWaalsContact C-N 3.33Å; M219-A221 PolarHBondContact O-N 3.22Å; M219-Q222 HydrophobicContact CB-CG 4.37Å; M219-Q222 VanDerWaalsContact CE-CD 3.49Å; M219-Q222 PolarHBondContact O-N 3.34Å; M219-Q222 VanDerWaalsContact O-N 3.12Å; M219-Q222 PolarHBondContact SD-OE1 2.89Å; M219-Q222 VanDerWaalsContact SD-OE1 3.38Å; M219-H223 PolarHBondContact O-CD2 3.06Å; M219-H223 VanDerWaalsContact O-CD2 3.24Å; M219-F315 HydrophobicContact CE-CZ 4Å; M219-F315 HydrophobicContact CG-CE1 4.45Å; M219-F315 HydrophobicContact SD-CZ 4.11Å; M219-Y316 HydrophobicContact CG-CE1 4.04Å; M219-F319 HydrophobicContact CE-CD1 4.01Å; M219-F319 HydrophobicContact CE-CD2 4.31Å; M219-F319 HydrophobicContact CE-CE1 3.4Å; M219-F319 HydrophobicContact CE-CE2 3.75Å; M219-F319 HydrophobicContact CE-CG 4.44Å; M219-F319 HydrophobicContact CE-CZ 3.25Å
220	Y	98.8	Very high	98.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-40	-165.8	-54.5	-39.1	0	0	0	114.3	V90 F150 V172 R173 P175 R178 I217 G218 Q222 H223 L224 F323 W333	V90-Y220 HydrophobicContact CB-CE1 4.27Å; V90-Y220 HydrophobicContact CG1-CD1 4.08Å; V90-Y220 HydrophobicContact CG1-CE1 3.9Å; V90-Y220 HydrophobicContact CG2-CE1 3.85Å; F150-Y220 HydrophobicContact CE1-CD1 4.22Å; V172-Y220 HydrophobicContact CB-CD2 4.49Å; V172-Y220 HydrophobicContact CB-CE2 4.21Å; V172-Y220 HydrophobicContact CG1-CD2 4.3Å; V172-Y220 HydrophobicContact CG1-CE2 4.42Å; R173-Y220 VanDerWaalsContact O-CE2 3.26Å; R173-Y220 WeakPolarHBondContact O-CE2 3.16Å; R173-Y220 PolarHBondContact O-OH 3.34Å; P175-Y220 HydrophobicContact CB-CE2 4.41Å; R178-Y220 VanDerWaalsContact CD-OH 3.3Å; R178-Y220 WeakPolarHBondContact CD-OH 3.49Å; I217-Y220 VanDerWaalsContact O-CD1 3.3Å; I217-Y220 WeakPolarHBondContact O-CD1 3.36Å; I217-Y220 VanDerWaalsContact O-CE1 3.26Å; I217-Y220 WeakPolarHBondContact O-CE1 3.34Å; G218-Y220 PolarHBondContact O-N 3.01Å; Y220-Q222 VanDerWaalsContact C-N 3.29Å; Y220-Q222 PolarHBondContact O-N 2.61Å; Y220-H223 PolarHBondContact O-N 3.07Å; Y220-L224 WeakPolarHBondContact O-CB 3.48Å; Y220-L224 PolarHBondContact O-N 2.88Å; Y220-F323 HydrophobicContact CD2-CD1 4.4Å; Y220-F323 HydrophobicContact CD2-CE1 4.4Å; Y220-W333 HydrophobicContact CD2-CZ3 4.03Å; Y220-W333 HydrophobicContact CE2-CH2 4.15Å; Y220-W333 AromaticContact CE2-CZ3 3.73Å; Y220-W333 HydrophobicContact CE2-CZ3 3.73Å
221	A	98.8	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.9	-42.9	178.2	0	0	0	0	0	112.4	M219 H223 L224 D225 K322 F323 M326	M219-A221 VanDerWaalsContact C-N 3.33Å; M219-A221 PolarHBondContact O-N 3.22Å; A221-H223 PolarHBondContact O-N 3.03Å; A221-L224 PolarHBondContact O-N 3.14Å; A221-D225 PolarHBondContact O-N 2.94Å; A221-K322 HydrophobicContact CB-CB 4.04Å; A221-K322 HydrophobicContact CB-CD 3.94Å; A221-K322 HydrophobicContact CB-CG 3.97Å; A221-F323 HydrophobicContact CB-CB 4.09Å; A221-M326 HydrophobicContact CB-SD 3.79Å
222	Q	98.3	Very high	98.4	Very high	80 Å²	80	38 Å²	38	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-66	-39.3	-179.2	-64.5	-174.2	-44.3	0	0	112.3	M219 Y220 F319	M219-Q222 HydrophobicContact CB-CG 4.37Å; M219-Q222 VanDerWaalsContact CE-CD 3.49Å; M219-Q222 PolarHBondContact O-N 3.34Å; M219-Q222 VanDerWaalsContact O-N 3.12Å; M219-Q222 PolarHBondContact SD-OE1 2.89Å; M219-Q222 VanDerWaalsContact SD-OE1 3.38Å; Y220-Q222 VanDerWaalsContact C-N 3.29Å; Y220-Q222 PolarHBondContact O-N 2.61Å; Q222-F319 HydrophobicContact CG-CD1 4.31Å; Q222-F319 HydrophobicContact CG-CE1 4.35Å
223	H	98.8	Very high	98.4	Very high	15 Å²	15	39.8 Å²	39.8	7%	0.069	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-44.4	175.8	-60.7	-59.3	0	0	0	109.8	F150 R216 M219 Y220 A221 D225 H226 W227	F150-H223 HydrophobicContact CD1-CB 3.88Å; F150-H223 HydrophobicContact CE1-CB 3.46Å; F150-H223 VanDerWaalsContact CE1-CB 3.46Å; F150-H223 HydrophobicContact CE2-CB 4.44Å; F150-H223 HydrophobicContact CZ-CB 3.77Å; R216-H223 PolarHBondContact O-NE2 3.39Å; M219-H223 PolarHBondContact O-CD2 3.06Å; M219-H223 VanDerWaalsContact O-CD2 3.24Å; Y220-H223 PolarHBondContact O-N 3.07Å; A221-H223 PolarHBondContact O-N 3.03Å; H223-D225 VanDerWaalsContact C-N 3.3Å; H223-D225 PolarHBondContact O-N 2.58Å; H223-H226 WeakPolarHBondContact O-CB 3.42Å; H223-H226 PolarHBondContact O-N 2.94Å; H223-W227 VanDerWaalsContact O-CD1 3.25Å; H223-W227 PolarHBondContact O-N 3.16Å
224	L	98.8	Very high	98.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-39.1	178.8	-177	58.4	0	0	0	112.3	Y220 A221 H226 W227 L228 L233 F236 F238 F323 M326 T327	Y220-L224 WeakPolarHBondContact O-CB 3.48Å; Y220-L224 PolarHBondContact O-N 2.88Å; A221-L224 PolarHBondContact O-N 3.14Å; L224-H226 PolarHBondContact O-N 2.95Å; L224-W227 HydrophobicContact CD1-CB 4.35Å; L224-W227 WeakPolarHBondContact O-CB 3.39Å; L224-W227 PolarHBondContact O-N 2.94Å; L224-L228 HydrophobicContact CD1-CD1 4.29Å; L224-L228 HydrophobicContact CD1-CD2 4.16Å; L224-L228 HydrophobicContact CD1-CG 3.91Å; L224-L228 HydrophobicContact CD2-CD1 4.42Å; L224-L228 HydrophobicContact CG-CD1 3.9Å; L224-L228 HydrophobicContact CG-CG 4.02Å; L224-L228 WeakPolarHBondContact O-CG 3.42Å; L224-L228 PolarHBondContact O-N 2.87Å; L224-L233 HydrophobicContact CD2-CD1 4.49Å; L224-F236 HydrophobicContact CD1-CE1 4.49Å; L224-F238 HydrophobicContact CD1-CE1 4.2Å; L224-F238 HydrophobicContact CD1-CZ 3.69Å; L224-F238 HydrophobicContact CD2-CE1 4.2Å; L224-F238 HydrophobicContact CD2-CZ 3.71Å; L224-F238 HydrophobicContact CG-CZ 4.36Å; L224-F323 HydrophobicContact CD2-CD2 4.09Å; L224-F323 HydrophobicContact CD2-CE2 3.89Å; L224-M326 HydrophobicContact CB-CE 3.9Å; L224-M326 HydrophobicContact CD2-CB 4.03Å; L224-M326 HydrophobicContact CD2-CE 3.78Å; L224-M326 HydrophobicContact CD2-SD 4.4Å; L224-M326 HydrophobicContact CG-CE 3.69Å; L224-T327 HydrophobicContact CD2-CG2 3.84Å
225	D	98.4	Very high	98.6	Very high	58 Å²	58	44.1 Å²	44.1	31%	0.31	22%	0.219	S	C	.	.	H	α-helix	trans	-53.1	-39	174.1	-73.7	-39.5	0	0	0	111.9	A221 H223 K322 M326	A221-D225 PolarHBondContact O-N 2.94Å; H223-D225 VanDerWaalsContact C-N 3.3Å; H223-D225 PolarHBondContact O-N 2.58Å; D225-K322 IonicContact OD1-NZ 3.94Å; D225-K322 PolarHBondContact OD1-NZ 2.82Å; D225-K322 IonicContact OD2-NZ 3.31Å; D225-K322 PolarHBondContact OD2-NZ 2.9Å; D225-M326 WeakPolarHBondContact OD1-CE 3.42Å
226	H	98.1	Very high	98.6	Very high	89 Å²	89	44.8 Å²	44.8	41%	0.412	22%	0.222	S	C	.	.	H	α-helix	trans	-71.8	-36.4	176.7	-62.9	164.2	0	0	0	113	H223 L224	H223-H226 WeakPolarHBondContact O-CB 3.42Å; H223-H226 PolarHBondContact O-N 2.94Å; L224-H226 PolarHBondContact O-N 2.95Å
227	W	98.9	Very high	98.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-38.5	177.7	-81.8	90.3	0	0	0	112	V88 Y149 F150 A155 P156 I159 L168 H223 L224 Q229 Y230 F231 F236	V88-W227 HydrophobicContact CB-CH2 3.86Å; V88-W227 HydrophobicContact CB-CZ2 4.04Å; V88-W227 HydrophobicContact CG1-CH2 3.72Å; V88-W227 HydrophobicContact CG1-CZ2 4.4Å; V88-W227 HydrophobicContact CG1-CZ3 4.34Å; V88-W227 HydrophobicContact CG2-CH2 4.05Å; V88-W227 HydrophobicContact CG2-CZ2 4.08Å; Y149-W227 WeakPolarHBondContact O-CZ2 3.22Å; F150-W227 AromaticContact CD2-CD1 3.92Å; F150-W227 AromaticContact CD2-NE1 3.55Å; F150-W227 AromaticContact CE2-CD1 3.97Å; F150-W227 PolarHBondContact O-NE1 3.17Å; A155-W227 HydrophobicContact CB-CZ2 4.44Å; P156-W227 HydrophobicContact CB-CD2 4.16Å; P156-W227 HydrophobicContact CB-CE3 4Å; P156-W227 HydrophobicContact CB-CZ3 4.42Å; P156-W227 HydrophobicContact CG-CD2 3.65Å; P156-W227 HydrophobicContact CG-CE3 3.96Å; P156-W227 HydrophobicContact CG-CG 3.94Å; P156-W227 HydrophobicContact CG-CZ2 4.24Å; P156-W227 HydrophobicContact CG-CZ3 4.41Å; I159-W227 HydrophobicContact CD1-CH2 3.57Å; I159-W227 HydrophobicContact CD1-CZ3 3.98Å; L168-W227 HydrophobicContact CD1-CE3 3.7Å; L168-W227 HydrophobicContact CD1-CZ3 3.65Å; L168-W227 HydrophobicContact CD2-CZ3 3.95Å; L168-W227 HydrophobicContact CG-CZ3 4.42Å; H223-W227 VanDerWaalsContact O-CD1 3.25Å; H223-W227 PolarHBondContact O-N 3.16Å; L224-W227 HydrophobicContact CD1-CB 4.35Å; L224-W227 WeakPolarHBondContact O-CB 3.39Å; L224-W227 PolarHBondContact O-N 2.94Å; W227-Q229 PolarHBondContact O-N 3.04Å; W227-Y230 PolarHBondContact O-N 3.16Å; W227-Y230 VanDerWaalsContact O-N 3.08Å; W227-F231 HydrophobicContact CE3-CD2 4.2Å; W227-F231 HydrophobicContact CE3-CE2 4.49Å; W227-F231 HydrophobicContact CZ3-CE2 4.41Å; W227-F231 PolarHBondContact O-N 3.38Å; W227-F231 VanDerWaalsContact O-N 3.07Å; W227-F236 HydrophobicContact CB-CE1 4.1Å; W227-F236 HydrophobicContact CB-CZ 3.68Å; W227-F236 HydrophobicContact CD2-CE1 4.16Å; W227-F236 HydrophobicContact CD2-CZ 4.23Å; W227-F236 AromaticContact CE3-CE1 3.94Å; W227-F236 HydrophobicContact CE3-CE1 3.94Å; W227-F236 AromaticContact CE3-CZ 3.84Å; W227-F236 HydrophobicContact CE3-CZ 3.84Å; W227-F236 HydrophobicContact CG-CE1 4.26Å; W227-F236 HydrophobicContact CG-CZ 4.22Å
228	L	98.8	Very high	98.6	Very high	61 Å²	61	40.1 Å²	40.1	32%	0.319	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.5	-179.1	-67.2	178.6	0	0	0	114.1	L224 Y230 F231 L233 F236 M326	L224-L228 HydrophobicContact CD1-CD1 4.29Å; L224-L228 HydrophobicContact CD1-CD2 4.16Å; L224-L228 HydrophobicContact CD1-CG 3.91Å; L224-L228 HydrophobicContact CD2-CD1 4.42Å; L224-L228 HydrophobicContact CG-CD1 3.9Å; L224-L228 HydrophobicContact CG-CG 4.02Å; L224-L228 WeakPolarHBondContact O-CG 3.42Å; L224-L228 PolarHBondContact O-N 2.87Å; L228-Y230 PolarHBondContact O-N 2.76Å; L228-F231 WeakPolarHBondContact CA-O 3.46Å; L228-F231 WeakPolarHBondContact CD2-O 3.38Å; L228-L233 HydrophobicContact CD2-CB 4.1Å; L228-L233 HydrophobicContact CD2-CD1 4.03Å; L228-F236 HydrophobicContact CD2-CD2 4.38Å; L228-F236 HydrophobicContact CD2-CE2 4.13Å; L228-M326 HydrophobicContact CD1-CE 3.75Å
229	Q	98.6	Very high	98.7	Very high	133 Å²	133	40.1 Å²	40.1	62%	0.621	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.9	169.3	-66.4	172.1	34.2	0	0	112.9	W227	W227-Q229 PolarHBondContact O-N 3.04Å
230	Y	98.8	Very high	98.7	Very high	83 Å²	83	40 Å²	40	33%	0.325	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-30.7	-175	-62.7	-87.9	0	0	0	113.1	P156 R157 H160 W227 L228	P156-Y230 HydrophobicContact CB-CD2 3.53Å; P156-Y230 HydrophobicContact CB-CE2 4.14Å; P156-Y230 HydrophobicContact CB-CG 4.05Å; R157-Y230 HydrophobicContact CB-CD1 4.13Å; R157-Y230 HydrophobicContact CB-CE1 3.5Å; R157-Y230 VanDerWaalsContact CB-CE1 3.5Å; R157-Y230 HydrophobicContact CB-CE2 4.37Å; R157-Y230 HydrophobicContact CG-CD1 4.41Å; R157-Y230 HydrophobicContact CG-CE1 3.62Å; H160-Y230 HydrophobicContact CB-CD1 4.39Å; H160-Y230 PolarHBondContact CD2-O 3.42Å; H160-Y230 PolarHBondContact NE2-O 3.46Å; W227-Y230 PolarHBondContact O-N 3.16Å; W227-Y230 VanDerWaalsContact O-N 3.08Å; L228-Y230 PolarHBondContact O-N 2.76Å
231	F	98.8	Very high	98.6	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	21%	0.209	C	C	.	.	S	Bend	trans	-126.5	135.6	-175.8	-70.4	-81.3	0	0	0	110.5	P156 I159 H160 P164 M166 L168 W227 L228 H235 F236	P156-F231 WeakPolarHBondContact O-CE2 3.13Å; I159-F231 HydrophobicContact CB-CE2 4.38Å; I159-F231 HydrophobicContact CB-CZ 4.29Å; I159-F231 HydrophobicContact CG2-CE2 4.26Å; I159-F231 HydrophobicContact CG2-CZ 3.82Å; H160-F231 VanDerWaalsContact CA-CZ 3.44Å; H160-F231 HydrophobicContact CB-CE1 4.39Å; H160-F231 HydrophobicContact CB-CE2 3.8Å; H160-F231 HydrophobicContact CB-CZ 3.65Å; P164-F231 VanDerWaalsContact O-CE1 3.32Å; P164-F231 WeakPolarHBondContact O-CE1 3.44Å; M166-F231 HydrophobicContact CB-CE1 3.9Å; M166-F231 HydrophobicContact CB-CZ 4.2Å; L168-F231 HydrophobicContact CD1-CB 4.13Å; L168-F231 HydrophobicContact CD1-CD1 4.04Å; L168-F231 HydrophobicContact CD1-CD2 3.65Å; L168-F231 HydrophobicContact CD1-CE1 4.34Å; L168-F231 HydrophobicContact CD1-CE2 3.97Å; L168-F231 HydrophobicContact CD1-CG 3.66Å; L168-F231 HydrophobicContact CD1-CZ 4.3Å; W227-F231 HydrophobicContact CE3-CD2 4.2Å; W227-F231 HydrophobicContact CE3-CE2 4.49Å; W227-F231 HydrophobicContact CZ3-CE2 4.41Å; W227-F231 PolarHBondContact O-N 3.38Å; W227-F231 VanDerWaalsContact O-N 3.07Å; L228-F231 WeakPolarHBondContact CA-O 3.46Å; L228-F231 WeakPolarHBondContact CD2-O 3.38Å; F231-H235 HydrophobicContact CB-CB 4.48Å; F231-H235 HydrophobicContact CD1-CB 4.46Å; F231-H235 AromaticContact CD1-ND1 3.76Å; F231-F236 HydrophobicContact CB-CE2 3.52Å; F231-F236 HydrophobicContact CB-CZ 3.89Å
232	P	98.5	Very high	98.6	Very high	67 Å²	67	43.3 Å²	43.3	44%	0.435	22%	0.223	S	C	.	.			trans	-65.9	153	171.8	30.6	-35.1	0	0	0	110.1	S234 H235 F236	P232-S234 PolarHBondContact O-N 2.86Å; P232-S234 VanDerWaalsContact O-N 3.11Å; P232-H235 HydrophobicContact CG-CB 4.49Å; P232-H235 WeakPolarHBondContact O-CB 3.13Å; P232-H235 PolarHBondContact O-N 3.12Å; P232-F236 WeakPolarHBondContact O-CD2 3.29Å
233	L	98.5	Very high	98.6	Very high	68 Å²	68	44.6 Å²	44.6	36%	0.356	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-57.3	-30.1	-179.7	-171.5	70.7	0	0	0	112.5	L224 L228 H235 F236 F238 M326	L224-L233 HydrophobicContact CD2-CD1 4.49Å; L228-L233 HydrophobicContact CD2-CB 4.1Å; L228-L233 HydrophobicContact CD2-CD1 4.03Å; L233-H235 PolarHBondContact O-N 3.04Å; L233-H235 VanDerWaalsContact O-N 3.16Å; L233-F236 WeakPolarHBondContact O-CB 3.44Å; L233-F236 PolarHBondContact O-N 2.84Å; L233-F238 HydrophobicContact CD1-CE2 3.83Å; L233-F238 HydrophobicContact CD1-CZ 4.24Å; L233-M326 WeakPolarHBondContact CD2-O 3.43Å
234	S	98.4	Very high	98.5	Very high	90 Å²	90	44.1 Å²	44.1	63%	0.629	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-60.9	-19.7	176.3	55.4	0	0	0	0	114	P232 F236	P232-S234 PolarHBondContact O-N 2.86Å; P232-S234 VanDerWaalsContact O-N 3.11Å; S234-F236 VanDerWaalsContact C-N 3.26Å
235	H	98.8	Very high	98.4	Very high	42 Å²	42	46.5 Å²	46.5	19%	0.194	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-83.8	-1.8	174	-71	-160.1	0	0	0	112.4	P164 L168 F231 P232 L233 F258	P164-H235 PolarHBondContact O-CE1 2.9Å; P164-H235 VanDerWaalsContact O-CE1 3.22Å; P164-H235 PolarHBondContact O-ND1 2.96Å; L168-H235 PolarHBondContact N-O 2.76Å; F231-H235 HydrophobicContact CB-CB 4.48Å; F231-H235 HydrophobicContact CD1-CB 4.46Å; F231-H235 AromaticContact CD1-ND1 3.76Å; P232-H235 HydrophobicContact CG-CB 4.49Å; P232-H235 WeakPolarHBondContact O-CB 3.13Å; P232-H235 PolarHBondContact O-N 3.12Å; L233-H235 PolarHBondContact O-N 3.04Å; L233-H235 VanDerWaalsContact O-N 3.16Å; H235-F258 WeakPolarHBondContact O-CZ 3.3Å
236	F	98.9	Very high	98.3	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.5	178.4	-66.6	-94.6	0	0	0	112.4	L168 V170 L224 W227 L228 F231 P232 L233 S234 F238	L168-F236 HydrophobicContact CB-CD1 3.72Å; L168-F236 HydrophobicContact CB-CE1 3.71Å; L168-F236 HydrophobicContact CB-CG 4.34Å; L168-F236 HydrophobicContact CB-CZ 4.32Å; L168-F236 HydrophobicContact CD1-CD1 4.24Å; L168-F236 HydrophobicContact CD1-CE1 3.46Å; L168-F236 VanDerWaalsContact CD1-CE1 3.46Å; L168-F236 HydrophobicContact CD1-CE2 3.98Å; L168-F236 HydrophobicContact CD1-CZ 3.28Å; L168-F236 HydrophobicContact CG-CE1 4.23Å; L168-F236 HydrophobicContact CG-CZ 4.42Å; L168-F236 CarbonylContact O-C 3.56Å; L168-F236 VanDerWaalsContact O-CA 3.27Å; L168-F236 WeakPolarHBondContact O-CA 3.46Å; V170-F236 HydrophobicContact CG2-CD1 4.19Å; L224-F236 HydrophobicContact CD1-CE1 4.49Å; W227-F236 HydrophobicContact CB-CE1 4.1Å; W227-F236 HydrophobicContact CB-CZ 3.68Å; W227-F236 HydrophobicContact CD2-CE1 4.16Å; W227-F236 HydrophobicContact CD2-CZ 4.23Å; W227-F236 AromaticContact CE3-CE1 3.94Å; W227-F236 HydrophobicContact CE3-CE1 3.94Å; W227-F236 AromaticContact CE3-CZ 3.84Å; W227-F236 HydrophobicContact CE3-CZ 3.84Å; W227-F236 HydrophobicContact CG-CE1 4.26Å; W227-F236 HydrophobicContact CG-CZ 4.22Å; L228-F236 HydrophobicContact CD2-CD2 4.38Å; L228-F236 HydrophobicContact CD2-CE2 4.13Å; F231-F236 HydrophobicContact CB-CE2 3.52Å; F231-F236 HydrophobicContact CB-CZ 3.89Å; P232-F236 WeakPolarHBondContact O-CD2 3.29Å; L233-F236 WeakPolarHBondContact O-CB 3.44Å; L233-F236 PolarHBondContact O-N 2.84Å; S234-F236 VanDerWaalsContact C-N 3.26Å; F236-F238 HydrophobicContact CB-CD2 4.39Å; F236-F238 HydrophobicContact CB-CE2 3.6Å; F236-F238 HydrophobicContact CB-CZ 3.71Å; F236-F238 HydrophobicContact CD1-CZ 4.18Å; F236-F238 HydrophobicContact CG-CE2 4.41Å; F236-F238 HydrophobicContact CG-CZ 4.07Å
237	L	98.9	Very high	98.3	Very high	18 Å²	18	46.8 Å²	46.8	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.9	159.8	-179.1	70.7	0	0	0	110.1	L168 I169 V170 V239 V255 F258	L168-L237 PolarHBondContact O-N 3.04Å; I169-L237 WeakPolarHBondContact CA-O 3.42Å; I169-L237 HydrophobicContact CG1-CB 4.43Å; V170-L237 PolarHBondContact N-O 3.15Å; L237-V239 HydrophobicContact CD2-CG2 4.02Å; L237-V239 HydrophobicContact CG-CG2 4.16Å; L237-V255 HydrophobicContact CD2-CB 3.99Å; L237-V255 HydrophobicContact CD2-CG1 4.34Å; L237-V255 HydrophobicContact CD2-CG2 3.5Å; L237-V255 VanDerWaalsContact CD2-CG2 3.5Å; L237-F258 HydrophobicContact CB-CB 4.39Å; L237-F258 HydrophobicContact CB-CD1 3.59Å; L237-F258 HydrophobicContact CB-CD2 3.96Å; L237-F258 HydrophobicContact CB-CE1 3.73Å; L237-F258 HydrophobicContact CB-CE2 4.11Å; L237-F258 HydrophobicContact CB-CG 3.7Å; L237-F258 HydrophobicContact CB-CZ 4Å; L237-F258 HydrophobicContact CD1-CB 4.45Å; L237-F258 HydrophobicContact CD2-CB 3.74Å; L237-F258 HydrophobicContact CD2-CD1 3.92Å; L237-F258 HydrophobicContact CD2-CG 3.92Å; L237-F258 HydrophobicContact CG-CB 4.42Å; L237-F258 HydrophobicContact CG-CD1 4.36Å; L237-F258 HydrophobicContact CG-CG 4.26Å
238	F	98.9	Very high	98.3	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.044	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.3	174.3	-56.9	-82.1	0	0	0	110.2	V170 L224 L233 F236 R254 F323 T327 Q329 F331	V170-F238 HydrophobicContact CB-CD1 3.83Å; V170-F238 HydrophobicContact CB-CE1 4.1Å; V170-F238 HydrophobicContact CG1-CD1 4.42Å; V170-F238 HydrophobicContact CG2-CD1 4.25Å; V170-F238 HydrophobicContact CG2-CE1 4.03Å; V170-F238 WeakPolarHBondContact O-CA 3.42Å; L224-F238 HydrophobicContact CD1-CE1 4.2Å; L224-F238 HydrophobicContact CD1-CZ 3.69Å; L224-F238 HydrophobicContact CD2-CE1 4.2Å; L224-F238 HydrophobicContact CD2-CZ 3.71Å; L224-F238 HydrophobicContact CG-CZ 4.36Å; L233-F238 HydrophobicContact CD1-CE2 3.83Å; L233-F238 HydrophobicContact CD1-CZ 4.24Å; F236-F238 HydrophobicContact CB-CD2 4.39Å; F236-F238 HydrophobicContact CB-CE2 3.6Å; F236-F238 HydrophobicContact CB-CZ 3.71Å; F236-F238 HydrophobicContact CD1-CZ 4.18Å; F236-F238 HydrophobicContact CG-CE2 4.41Å; F236-F238 HydrophobicContact CG-CZ 4.07Å; F238-R254 PolarHBondContact O-NH1 2.85Å; F238-R254 PolarHBondContact O-NH2 2.79Å; F238-F323 HydrophobicContact CD1-CE2 4.07Å; F238-F323 AromaticContact CD1-CZ 3.53Å; F238-F323 HydrophobicContact CD1-CZ 3.53Å; F238-F323 AromaticContact CE1-CE2 3.85Å; F238-F323 HydrophobicContact CE1-CE2 3.85Å; F238-F323 AromaticContact CE1-CZ 3.83Å; F238-F323 HydrophobicContact CE1-CZ 3.83Å; F238-F323 HydrophobicContact CG-CZ 4.18Å; F238-T327 HydrophobicContact CD1-CG2 4.14Å; F238-T327 HydrophobicContact CD2-CG2 3.49Å; F238-T327 VanDerWaalsContact CD2-CG2 3.49Å; F238-T327 HydrophobicContact CE1-CG2 4.03Å; F238-T327 HydrophobicContact CE2-CG2 3.39Å; F238-T327 HydrophobicContact CG-CG2 3.89Å; F238-T327 HydrophobicContact CZ-CG2 3.67Å; F238-Q329 PolarHBondContact O-OE1 3.49Å; F238-F331 HydrophobicContact CB-CE1 4.45Å; F238-F331 HydrophobicContact CB-CZ 3.67Å
239	V	98.9	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.2	-178.2	176.8	0	0	0	0	108.7	L98 I169 V170 V171 V172 L237 G241 E251 V255	L98-V239 HydrophobicContact CD2-CG1 4.39Å; L98-V239 HydrophobicContact CD2-CG2 4.11Å; I169-V239 HydrophobicContact CG2-CG2 3.81Å; V170-V239 PolarHBondContact O-N 2.62Å; V171-V239 CarbonylContact C-O 3.56Å; V171-V239 WeakPolarHBondContact CA-O 3.39Å; V171-V239 HydrophobicContact CB-CB 4.48Å; V171-V239 HydrophobicContact CG1-CB 4.37Å; V171-V239 HydrophobicContact CG1-CG1 4.18Å; V171-V239 HydrophobicContact CG2-CB 4.23Å; V171-V239 HydrophobicContact CG2-CG1 4.46Å; V172-V239 WeakPolarHBondContact CG2-O 3.48Å; V172-V239 PolarHBondContact N-O 3.07Å; L237-V239 HydrophobicContact CD2-CG2 4.02Å; L237-V239 HydrophobicContact CG-CG2 4.16Å; V239-G241 PolarHBondContact O-N 3.5Å; V239-E251 WeakPolarHBondContact CA-OE2 3.5Å; V239-E251 HydrophobicContact CG1-CB 4.25Å; V239-E251 HydrophobicContact CG1-CG 4.47Å; V239-E251 WeakPolarHBondContact CG1-OE2 3.38Å; V239-V255 HydrophobicContact CG2-CG2 3.62Å
240	S	98.7	Very high	98.2	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.6	176.7	170.1	0	0	0	0	109.7	E242 R243 L244 E251	S240-E242 VanDerWaalsContact C-N 3.27Å; S240-E242 PolarHBondContact O-N 3Å; S240-R243 PolarHBondContact O-N 2.81Å; S240-R243 PolarHBondContact OG-N 2.83Å; S240-R243 VanDerWaalsContact OG-N 3.11Å; S240-L244 WeakPolarHBondContact O-CB 3.37Å; S240-L244 PolarHBondContact O-N 3.5Å; S240-E251 PolarHBondContact N-OE2 2.86Å
241	G	98.3	Very high	98.2	Very high	8 Å²	8	36.2 Å²	36.2	8%	0.082	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-32.3	176.6	0	0	0	0	0	112.6	V172 V239 V245	V172-G241 VanDerWaalsContact O-CA 3.26Å; V172-G241 WeakPolarHBondContact O-CA 3.19Å; V172-G241 PolarHBondContact O-N 2.83Å; V239-G241 PolarHBondContact O-N 3.5Å; G241-V245 WeakPolarHBondContact O-CG2 3.21Å; G241-V245 PolarHBondContact O-N 2.7Å
242	E	97.9	Very high	98.2	Very high	63 Å²	63	36.1 Å²	36.1	29%	0.294	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-50.7	172.3	-70.1	74.3	-166.5	0	0	111	R173 N174 S240 L244 V245 S246 W333	R173-E242 WeakPolarHBondContact CG-OE1 3.49Å; N174-E242 WeakPolarHBondContact CB-OE1 3.36Å; N174-E242 PolarHBondContact N-OE1 3.24Å; S240-E242 VanDerWaalsContact C-N 3.27Å; S240-E242 PolarHBondContact O-N 3Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.31Å; E242-V245 WeakPolarHBondContact O-CB 3.47Å; E242-V245 PolarHBondContact O-N 3.48Å; E242-S246 PolarHBondContact O-N 2.03Å; E242-S246 VanDerWaalsContact O-N 3.08Å; E242-S246 PolarHBondContact O-OG 3.32Å; E242-W333 PolarHBondContact OE1-NE1 2.85Å; E242-W333 WeakPolarHBondContact OE2-CZ2 2.84Å; E242-W333 PolarHBondContact OE2-NE1 2.92Å
243	R	98	Very high	98.2	Very high	107 Å²	107	33.1 Å²	33.1	40%	0.404	19%	0.193	S	C	.	.	H	α-helix	trans	-66.5	-30.8	176.8	-68.7	-168.7	66.2	-173.4	-1.4	112.6	S240 V245 S246 D247 E251	S240-R243 PolarHBondContact O-N 2.81Å; S240-R243 PolarHBondContact OG-N 2.83Å; S240-R243 VanDerWaalsContact OG-N 3.11Å; R243-V245 PolarHBondContact O-N 3.13Å; R243-V245 VanDerWaalsContact O-N 3.12Å; R243-S246 WeakPolarHBondContact CA-OG 3.38Å; R243-S246 PolarHBondContact O-N 2.93Å; R243-D247 IonicContact CZ-OD2 2.97Å; R243-D247 IonicContact NH2-OD2 3.8Å; R243-D247 PolarHBondContact NH2-OD2 2.85Å; R243-D247 CarbonylContact O-C 3.58Å; R243-D247 VanDerWaalsContact O-CA 3.29Å; R243-D247 WeakPolarHBondContact O-CA 3.41Å; R243-D247 PolarHBondContact O-N 3.33Å; R243-D247 VanDerWaalsContact O-O 3.05Å; R243-E251 HydrophobicContact CB-CG 3.51Å; R243-E251 IonicContact CZ-OE1 3.68Å; R243-E251 IonicContact NE-OE1 3.06Å; R243-E251 IonicContact NH1-OE1 3.73Å
244	L	97.2	Very high	98.2	Very high	5 Å²	5	33 Å²	33	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-20.3	174	-167.8	67	0	0	0	112.4	A97 L98 F101 V171 S240 E242 E251 V252	A97-L244 HydrophobicContact CB-CD2 4.17Å; L98-L244 HydrophobicContact CB-CD2 3.94Å; L98-L244 HydrophobicContact CD1-CD1 4.24Å; F101-L244 HydrophobicContact CD2-CD1 3.89Å; F101-L244 HydrophobicContact CD2-CG 4.45Å; F101-L244 HydrophobicContact CE2-CD1 4.03Å; F101-L244 HydrophobicContact CE2-CG 4.15Å; V171-L244 HydrophobicContact CG1-CD2 4.15Å; S240-L244 WeakPolarHBondContact O-CB 3.37Å; S240-L244 PolarHBondContact O-N 3.5Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.31Å; L244-E251 HydrophobicContact CD1-CB 4.05Å; L244-V252 HydrophobicContact CD1-CG2 4.39Å
245	V	96.1	Very high	98.2	Very high	49 Å²	49	28.8 Å²	28.8	30%	0.297	16%	0.158	S	C	.	.	H	α-helix	trans	-88.9	-48.6	172.5	176.9	0	0	0	0	111.2	G241 E242 R243 F278 P279	G241-V245 WeakPolarHBondContact O-CG2 3.21Å; G241-V245 PolarHBondContact O-N 2.7Å; E242-V245 WeakPolarHBondContact O-CB 3.47Å; E242-V245 PolarHBondContact O-N 3.48Å; R243-V245 PolarHBondContact O-N 3.13Å; R243-V245 VanDerWaalsContact O-N 3.12Å; V245-F278 HydrophobicContact CG1-CD1 4.09Å; V245-F278 HydrophobicContact CG1-CE1 4.43Å; V245-F278 HydrophobicContact CG2-CD1 3.95Å; V245-F278 HydrophobicContact CG2-CE1 3.99Å; V245-P279 WeakPolarHBondContact O-CD 3.36Å; V245-P279 WeakPolarHBondContact O-CG 3.37Å
246	S	96.9	Very high	98.2	Very high	98 Å²	98	26.8 Å²	26.8	69%	0.685	15%	0.149	S	C	*	.	H	α-helix	trans	-79.4	-32.4	-174.1	63.9	0	0	0	0	114.1	E242 R243	E242-S246 PolarHBondContact O-N 2.03Å; E242-S246 VanDerWaalsContact O-N 3.08Å; E242-S246 PolarHBondContact O-OG 3.32Å; R243-S246 WeakPolarHBondContact CA-OG 3.38Å; R243-S246 PolarHBondContact O-N 2.93Å
247	D	97.9	Very high	98.2	Very high	56 Å²	56	29.7 Å²	29.7	30%	0.299	17%	0.165	S	C	.	.			trans	-144.4	69.8	-176.4	174.8	22.3	0	0	0	110.1	R243 A249 G250 E251	R243-D247 IonicContact CZ-OD2 2.97Å; R243-D247 IonicContact NH2-OD2 3.8Å; R243-D247 PolarHBondContact NH2-OD2 2.85Å; R243-D247 CarbonylContact O-C 3.58Å; R243-D247 VanDerWaalsContact O-CA 3.29Å; R243-D247 WeakPolarHBondContact O-CA 3.41Å; R243-D247 PolarHBondContact O-N 3.33Å; R243-D247 VanDerWaalsContact O-O 3.05Å; D247-A249 VanDerWaalsContact C-N 3.26Å; D247-A249 PolarHBondContact O-N 2.88Å; D247-G250 PolarHBondContact O-N 3.05Å; D247-G250 PolarHBondContact OD1-N 3.1Å; D247-E251 PolarHBondContact O-N 3.06Å
248	P	97.9	Very high	98.2	Very high	14 Å²	14	30.5 Å²	30.5	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-33.1	-178.4	24.5	-34.5	0	0	0	112.7	F101 V252 F270 P279	F101-P248 HydrophobicContact CD2-CB 4.24Å; F101-P248 HydrophobicContact CE2-CB 3.82Å; P248-V252 WeakPolarHBondContact O-CB 3.34Å; P248-V252 WeakPolarHBondContact O-CG2 3.15Å; P248-V252 PolarHBondContact O-N 3.06Å; P248-F270 HydrophobicContact CB-CD1 4Å; P248-F270 HydrophobicContact CB-CD2 4.25Å; P248-F270 HydrophobicContact CB-CE1 3.97Å; P248-F270 HydrophobicContact CB-CE2 4.21Å; P248-F270 HydrophobicContact CB-CG 4.14Å; P248-F270 HydrophobicContact CB-CZ 4.07Å; P248-F270 HydrophobicContact CG-CB 4.06Å; P248-F270 HydrophobicContact CG-CD1 3.96Å; P248-F270 HydrophobicContact CG-CD2 3.96Å; P248-F270 HydrophobicContact CG-CE1 4.42Å; P248-F270 HydrophobicContact CG-CE2 4.41Å; P248-F270 HydrophobicContact CG-CG 3.71Å; P248-P279 HydrophobicContact CG-CB 3.98Å; P248-P279 HydrophobicContact CG-CG 4.27Å
249	A	98	Very high	98.2	Very high	18 Å²	18	30.5 Å²	30.5	15%	0.149	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-42.9	-179.5	0	0	0	0	0	111.8	D247 V252 G253 D267 F270	D247-A249 VanDerWaalsContact C-N 3.26Å; D247-A249 PolarHBondContact O-N 2.88Å; A249-V252 PolarHBondContact O-N 3.42Å; A249-G253 PolarHBondContact O-N 3.39Å; A249-D267 HydrophobicContact CB-CB 4.17Å; A249-D267 VanDerWaalsContact CB-N 3.27Å; A249-F270 HydrophobicContact CB-CD2 4.19Å; A249-F270 HydrophobicContact CB-CE2 4.14Å
250	G	98.4	Very high	98.2	Very high	25 Å²	25	33.6 Å²	33.6	26%	0.258	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-47.8	176.2	0	0	0	0	0	112.6	D247 G253 R254	D247-G250 PolarHBondContact O-N 3.05Å; D247-G250 PolarHBondContact OD1-N 3.1Å; G250-G253 PolarHBondContact O-N 2.89Å; G250-R254 PolarHBondContact O-N 3.28Å
251	E	98.5	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-40.1	179	-74.2	-64.8	111.2	0	0	112.4	V239 S240 R243 L244 D247 G253 R254 V255	V239-E251 WeakPolarHBondContact CA-OE2 3.5Å; V239-E251 HydrophobicContact CG1-CB 4.25Å; V239-E251 HydrophobicContact CG1-CG 4.47Å; V239-E251 WeakPolarHBondContact CG1-OE2 3.38Å; S240-E251 PolarHBondContact N-OE2 2.86Å; R243-E251 HydrophobicContact CB-CG 3.51Å; R243-E251 IonicContact CZ-OE1 3.68Å; R243-E251 IonicContact NE-OE1 3.06Å; R243-E251 IonicContact NH1-OE1 3.73Å; L244-E251 HydrophobicContact CD1-CB 4.05Å; D247-E251 PolarHBondContact O-N 3.06Å; E251-G253 VanDerWaalsContact C-N 3.29Å; E251-G253 PolarHBondContact O-N 3.22Å; E251-R254 PolarHBondContact O-N 3.35Å; E251-R254 WeakPolarHBondContact OE1-CD 3.31Å; E251-R254 IonicContact OE1-CZ 3.73Å; E251-R254 IonicContact OE1-NH1 3.3Å; E251-R254 PolarHBondContact OE1-NH1 3.3Å; E251-R254 IonicContact OE2-NH1 2.88Å; E251-R254 PolarHBondContact OE2-NH1 3.4Å; E251-R254 VanDerWaalsContact OE2-NH1 3.08Å; E251-V255 VanDerWaalsContact O-CG2 3.28Å; E251-V255 WeakPolarHBondContact O-CG2 3.47Å; E251-V255 PolarHBondContact O-N 2.92Å
252	V	98.6	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-32.1	175	175.3	0	0	0	0	111.3	L98 F101 L102 L244 P248 A249 V255 Q256 V265 F270	L98-V252 HydrophobicContact CD1-CG2 4.25Å; F101-V252 HydrophobicContact CB-CG2 3.79Å; F101-V252 HydrophobicContact CD2-CG2 4.05Å; F101-V252 HydrophobicContact CG-CG2 4.43Å; L102-V252 HydrophobicContact CD2-CG1 4.15Å; L244-V252 HydrophobicContact CD1-CG2 4.39Å; P248-V252 WeakPolarHBondContact O-CB 3.34Å; P248-V252 WeakPolarHBondContact O-CG2 3.15Å; P248-V252 PolarHBondContact O-N 3.06Å; A249-V252 PolarHBondContact O-N 3.42Å; V252-V255 PolarHBondContact O-N 3.13Å; V252-Q256 HydrophobicContact CG1-CG 4.36Å; V252-Q256 WeakPolarHBondContact O-CG 3.33Å; V252-Q256 PolarHBondContact O-N 3Å; V252-Q256 PolarHBondContact O-NE2 2.69Å; V252-V265 HydrophobicContact CG1-CB 3.77Å; V252-V265 HydrophobicContact CG1-CG1 3.81Å; V252-V265 HydrophobicContact CG1-CG2 4.43Å; V252-F270 HydrophobicContact CG2-CZ 4.38Å
253	G	98.7	Very high	98.1	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-53.9	-53.3	169.9	0	0	0	0	0	112.2	A249 G250 E251 V255 Q256 D257	A249-G253 PolarHBondContact O-N 3.39Å; G250-G253 PolarHBondContact O-N 2.89Å; E251-G253 VanDerWaalsContact C-N 3.29Å; E251-G253 PolarHBondContact O-N 3.22Å; G253-V255 VanDerWaalsContact C-N 3.25Å; G253-V255 PolarHBondContact O-N 3.39Å; G253-Q256 PolarHBondContact O-N 2.6Å; G253-Q256 VanDerWaalsContact O-N 3.15Å; G253-D257 PolarHBondContact O-N 3.39Å; G253-D257 VanDerWaalsContact O-N 3.13Å
254	R	98.7	Very high	98.1	Very high	66 Å²	66	43.2 Å²	43.2	25%	0.249	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-39.3	176.6	-63.9	172.7	66.3	-146	-0.7	112.4	F238 G250 E251 F258	F238-R254 PolarHBondContact O-NH1 2.85Å; F238-R254 PolarHBondContact O-NH2 2.79Å; G250-R254 PolarHBondContact O-N 3.28Å; E251-R254 PolarHBondContact O-N 3.35Å; E251-R254 WeakPolarHBondContact OE1-CD 3.31Å; E251-R254 IonicContact OE1-CZ 3.73Å; E251-R254 IonicContact OE1-NH1 3.3Å; E251-R254 PolarHBondContact OE1-NH1 3.3Å; E251-R254 IonicContact OE2-NH1 2.88Å; E251-R254 PolarHBondContact OE2-NH1 3.4Å; E251-R254 VanDerWaalsContact OE2-NH1 3.08Å; R254-F258 WeakPolarHBondContact O-CB 3.02Å; R254-F258 PolarHBondContact O-N 2.89Å
255	V	98.8	Very high	98.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.8	-38.3	179.7	-177.3	0	0	0	0	111.5	L98 L102 I169 L237 V239 E251 V252 G253 F258 L259	L98-V255 HydrophobicContact CD1-CG2 4.05Å; L98-V255 HydrophobicContact CD2-CG2 4.47Å; L102-V255 HydrophobicContact CD1-CG1 3.87Å; L102-V255 HydrophobicContact CD2-CB 4.07Å; L102-V255 HydrophobicContact CD2-CG1 3.58Å; L102-V255 HydrophobicContact CG-CG1 4.31Å; I169-V255 HydrophobicContact CD1-CG1 3.74Å; L237-V255 HydrophobicContact CD2-CB 3.99Å; L237-V255 HydrophobicContact CD2-CG1 4.34Å; L237-V255 HydrophobicContact CD2-CG2 3.5Å; L237-V255 VanDerWaalsContact CD2-CG2 3.5Å; V239-V255 HydrophobicContact CG2-CG2 3.62Å; E251-V255 VanDerWaalsContact O-CG2 3.28Å; E251-V255 WeakPolarHBondContact O-CG2 3.47Å; E251-V255 PolarHBondContact O-N 2.92Å; V252-V255 PolarHBondContact O-N 3.13Å; G253-V255 VanDerWaalsContact C-N 3.25Å; G253-V255 PolarHBondContact O-N 3.39Å; V255-F258 PolarHBondContact O-N 3.03Å; V255-L259 HydrophobicContact CG1-CD1 3.94Å; V255-L259 HydrophobicContact CG1-CG 4.29Å; V255-L259 WeakPolarHBondContact O-CB 3.47Å; V255-L259 VanDerWaalsContact O-CG 3.24Å; V255-L259 WeakPolarHBondContact O-CG 3.05Å; V255-L259 PolarHBondContact O-N 2.92Å
256	Q	98.8	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-47.5	174.8	-72.8	167.5	115.8	0	0	110.5	H105 V252 G253 F258 L259 G260 L261 K262 R263 V265	H105-Q256 PolarHBondContact CD2-OE1 3.07Å; V252-Q256 HydrophobicContact CG1-CG 4.36Å; V252-Q256 WeakPolarHBondContact O-CG 3.33Å; V252-Q256 PolarHBondContact O-N 3Å; V252-Q256 PolarHBondContact O-NE2 2.69Å; G253-Q256 PolarHBondContact O-N 2.6Å; G253-Q256 VanDerWaalsContact O-N 3.15Å; Q256-F258 PolarHBondContact O-N 3.19Å; Q256-L259 CarbonylContact O-C 3.02Å; Q256-L259 PolarHBondContact O-N 2.61Å; Q256-G260 PolarHBondContact O-N 3.25Å; Q256-G260 VanDerWaalsContact O-N 3.08Å; Q256-L261 HydrophobicContact CB-CB 4.22Å; Q256-L261 PolarHBondContact O-N 3.41Å; Q256-K262 PolarHBondContact OE1-O 3.27Å; Q256-R263 HydrophobicContact CB-CG 4.36Å; Q256-V265 PolarHBondContact NE2-O 3.32Å; Q256-V265 VanDerWaalsContact NE2-O 3.16Å
257	D	98.8	Very high	98.2	Very high	75 Å²	75	43.5 Å²	43.5	40%	0.401	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-46.2	178.3	-51.5	-33.5	0	0	0	111.9	G253 L259 G260 R263	G253-D257 PolarHBondContact O-N 3.39Å; G253-D257 VanDerWaalsContact O-N 3.13Å; D257-L259 PolarHBondContact O-N 3.4Å; D257-G260 PolarHBondContact O-N 2.9Å; D257-R263 VanDerWaalsContact CG-NE 3.34Å; D257-R263 WeakPolarHBondContact OD1-CG 3.32Å; D257-R263 IonicContact OD1-CZ 3Å; D257-R263 IonicContact OD1-NE 3.95Å; D257-R263 PolarHBondContact OD1-NE 3.17Å; D257-R263 IonicContact OD1-NH2 3.78Å; D257-R263 IonicContact OD2-CZ 3.04Å; D257-R263 VanDerWaalsContact OD2-CZ 3.24Å; D257-R263 IonicContact OD2-NE 2.7Å; D257-R263 PolarHBondContact OD2-NE 3.4Å; D257-R263 VanDerWaalsContact OD2-NE 3.11Å; D257-R263 IonicContact OD2-NH2 2.61Å; D257-R263 PolarHBondContact OD2-NH2 3Å
258	F	98.8	Very high	98	Very high	35 Å²	35	48.3 Å²	48.3	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-35.9	178.1	174.8	-109.1	0	0	0	112	K167 I169 H235 L237 R254 V255 Q256 G260	K167-F258 HydrophobicContact CB-CE1 3.75Å; K167-F258 HydrophobicContact CB-CZ 3.89Å; K167-F258 HydrophobicContact CD-CE1 4.24Å; K167-F258 HydrophobicContact CD-CZ 4.33Å; K167-F258 WeakPolarHBondContact CD-O 3.38Å; K167-F258 WeakPolarHBondContact CE-O 3.14Å; K167-F258 HydrophobicContact CG-CE1 4.27Å; K167-F258 HydrophobicContact CG-CZ 4.12Å; K167-F258 PolarHBondContact NZ-O 3.36Å; I169-F258 HydrophobicContact CG1-CD1 4.16Å; I169-F258 HydrophobicContact CG1-CE1 3.92Å; H235-F258 WeakPolarHBondContact O-CZ 3.3Å; L237-F258 HydrophobicContact CB-CB 4.39Å; L237-F258 HydrophobicContact CB-CD1 3.59Å; L237-F258 HydrophobicContact CB-CD2 3.96Å; L237-F258 HydrophobicContact CB-CE1 3.73Å; L237-F258 HydrophobicContact CB-CE2 4.11Å; L237-F258 HydrophobicContact CB-CG 3.7Å; L237-F258 HydrophobicContact CB-CZ 4Å; L237-F258 HydrophobicContact CD1-CB 4.45Å; L237-F258 HydrophobicContact CD2-CB 3.74Å; L237-F258 HydrophobicContact CD2-CD1 3.92Å; L237-F258 HydrophobicContact CD2-CG 3.92Å; L237-F258 HydrophobicContact CG-CB 4.42Å; L237-F258 HydrophobicContact CG-CD1 4.36Å; L237-F258 HydrophobicContact CG-CG 4.26Å; R254-F258 WeakPolarHBondContact O-CB 3.02Å; R254-F258 PolarHBondContact O-N 2.89Å; V255-F258 PolarHBondContact O-N 3.03Å; Q256-F258 PolarHBondContact O-N 3.19Å; F258-G260 VanDerWaalsContact C-N 3.3Å
259	L	98.6	Very high	97.9	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-79.7	-9.3	175.9	-67	178.3	0	0	0	113.4	A85 I141 M143 K167 I169 V255 Q256 D257 L261	A85-L259 HydrophobicContact CB-CD2 3.41Å; A85-L259 VanDerWaalsContact CB-CD2 3.41Å; I141-L259 HydrophobicContact CD1-CB 3.99Å; M143-L259 HydrophobicContact CE-CD1 4.08Å; M143-L259 HydrophobicContact SD-CD1 3.94Å; K167-L259 HydrophobicContact CB-CD2 4.47Å; K167-L259 HydrophobicContact CD-CD2 4.16Å; I169-L259 HydrophobicContact CD1-CD2 4.28Å; V255-L259 HydrophobicContact CG1-CD1 3.94Å; V255-L259 HydrophobicContact CG1-CG 4.29Å; V255-L259 WeakPolarHBondContact O-CB 3.47Å; V255-L259 VanDerWaalsContact O-CG 3.24Å; V255-L259 WeakPolarHBondContact O-CG 3.05Å; V255-L259 PolarHBondContact O-N 2.92Å; Q256-L259 CarbonylContact O-C 3.02Å; Q256-L259 PolarHBondContact O-N 2.61Å; D257-L259 PolarHBondContact O-N 3.4Å; L259-L261 VanDerWaalsContact C-N 3.34Å; L259-L261 HydrophobicContact CB-CD1 3.94Å; L259-L261 HydrophobicContact CB-CG 3.92Å; L259-L261 HydrophobicContact CD1-CD1 4.02Å
260	G	98.3	Very high	97.9	Very high	65 Å²	65	50 Å²	50	67%	0.67	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	25.6	-173.9	0	0	0	0	0	112.9	Q256 D257 F258	Q256-G260 PolarHBondContact O-N 3.25Å; Q256-G260 VanDerWaalsContact O-N 3.08Å; D257-G260 PolarHBondContact O-N 2.9Å; F258-G260 VanDerWaalsContact C-N 3.3Å
261	L	98.3	Very high	97.7	Very high	18 Å²	18	52.2 Å²	52.2	9%	0.094	26%	0.259	C	S	.	.			trans	-95	151.9	178.8	-64.6	174.1	0	0	0	110.8	D107 V108 I141 Q256 L259	D107-L261 HydrophobicContact CB-CD2 3.94Å; V108-L261 HydrophobicContact CG2-CD1 3.46Å; V108-L261 VanDerWaalsContact CG2-CD1 3.46Å; I141-L261 HydrophobicContact CD1-CD1 4.16Å; I141-L261 HydrophobicContact CD1-CD2 3.66Å; I141-L261 HydrophobicContact CD1-CG 3.85Å; I141-L261 HydrophobicContact CG1-CD2 4.21Å; Q256-L261 HydrophobicContact CB-CB 4.22Å; Q256-L261 PolarHBondContact O-N 3.41Å; L259-L261 VanDerWaalsContact C-N 3.34Å; L259-L261 HydrophobicContact CB-CD1 3.94Å; L259-L261 HydrophobicContact CB-CG 3.92Å; L259-L261 HydrophobicContact CD1-CD1 4.02Å
262	K	98.1	Very high	97.4	Very high	168 Å²	168	58.2 Å²	58.2	73%	0.73	29%	0.285	S	S	*	.			trans	-61.7	143	167.8	-174.3	174.6	-178.8	175.7	0	109.7	H105 Q256 V264	H105-K262 PolarHBondContact CD2-O 2.94Å; H105-K262 PolarHBondContact NE2-O 3.45Å; Q256-K262 PolarHBondContact OE1-O 3.27Å; K262-V264 VanDerWaalsContact C-N 3.3Å; K262-V264 HydrophobicContact CB-CG2 4.17Å; K262-V264 HydrophobicContact CD-CG2 4.34Å; K262-V264 HydrophobicContact CG-CG2 4.15Å; K262-V264 PolarHBondContact O-N 2.89Å
263	R	97.9	Very high	97.1	Very high	150 Å²	150	60.2 Å²	60.2	57%	0.566	30%	0.296	S	S	*	.			trans	-73.8	81.5	173.2	-70.2	-175.6	172.8	-171.2	0.8	111.2	Q256 D257	Q256-R263 HydrophobicContact CB-CG 4.36Å; D257-R263 VanDerWaalsContact CG-NE 3.34Å; D257-R263 WeakPolarHBondContact OD1-CG 3.32Å; D257-R263 IonicContact OD1-CZ 3Å; D257-R263 IonicContact OD1-NE 3.95Å; D257-R263 PolarHBondContact OD1-NE 3.17Å; D257-R263 IonicContact OD1-NH2 3.78Å; D257-R263 IonicContact OD2-CZ 3.04Å; D257-R263 VanDerWaalsContact OD2-CZ 3.24Å; D257-R263 IonicContact OD2-NE 2.7Å; D257-R263 PolarHBondContact OD2-NE 3.4Å; D257-R263 VanDerWaalsContact OD2-NE 3.11Å; D257-R263 IonicContact OD2-NH2 2.61Å; D257-R263 PolarHBondContact OD2-NH2 3Å
264	V	97.8	Very high	96.7	Very high	51 Å²	51	64 Å²	64	31%	0.309	33%	0.326	S	S	.	.			trans	-91.8	-39.8	177.8	176.2	0	0	0	0	111.3	K262 T266 H269	K262-V264 VanDerWaalsContact C-N 3.3Å; K262-V264 HydrophobicContact CB-CG2 4.17Å; K262-V264 HydrophobicContact CD-CG2 4.34Å; K262-V264 HydrophobicContact CG-CG2 4.15Å; K262-V264 PolarHBondContact O-N 2.89Å; V264-T266 PolarHBondContact O-N 3.28Å; V264-H269 PolarHBondContact O-CE1 3.19Å
265	V	97.3	Very high	96.1	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.024	36%	0.356	C	S	.	.			trans	-80.6	113.9	180	-173.1	0	0	0	0	109.1	L104 H105 V252 Q256 H269 F270	L104-V265 HydrophobicContact CB-CG1 4.45Å; L104-V265 HydrophobicContact CB-CG2 3.79Å; L104-V265 HydrophobicContact CD1-CG1 4.05Å; H105-V265 HydrophobicContact CB-CG2 4.14Å; V252-V265 HydrophobicContact CG1-CB 3.77Å; V252-V265 HydrophobicContact CG1-CG1 3.81Å; V252-V265 HydrophobicContact CG1-CG2 4.43Å; Q256-V265 PolarHBondContact NE2-O 3.32Å; Q256-V265 VanDerWaalsContact NE2-O 3.16Å; V265-H269 HydrophobicContact CG1-CB 4.33Å; V265-F270 HydrophobicContact CG1-CE2 3.86Å; V265-F270 HydrophobicContact CG1-CZ 3.76Å
266	T	97.3	Very high	95.5	Very high	48 Å²	48	70.2 Å²	70.2	29%	0.294	37%	0.367	S	S	.	.			trans	-126.5	178.2	-176.4	64.8	0	0	0	0	112.1	V264 K268 H269 F270	V264-T266 PolarHBondContact O-N 3.28Å; T266-K268 PolarHBondContact O-N 2.95Å; T266-K268 VanDerWaalsContact O-N 3.13Å; T266-H269 PolarHBondContact N-ND1 2.94Å; T266-H269 WeakPolarHBondContact O-CB 3.41Å; T266-H269 PolarHBondContact O-N 3.37Å; T266-H269 PolarHBondContact O-ND1 3.47Å; T266-H269 VanDerWaalsContact O-ND1 3.16Å; T266-H269 PolarHBondContact OG1-ND1 2.77Å; T266-F270 VanDerWaalsContact O-CD2 3.3Å; T266-F270 WeakPolarHBondContact O-CD2 3.43Å; T266-F270 WeakPolarHBondContact O-CE2 3.49Å
267	D	95.9	Very high	95	Very high	106 Å²	106	71.8 Å²	71.8	57%	0.567	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-46.4	-36.8	172.5	67.7	-43.5	0	0	0	113.6	A249 H269 F270	A249-D267 HydrophobicContact CB-CB 4.17Å; A249-D267 VanDerWaalsContact CB-N 3.27Å; D267-H269 PolarHBondContact O-N 3.46Å; D267-F270 PolarHBondContact O-N 2.79Å
268	K	95.4	Very high	94.7	Very high	156 Å²	156	71.7 Å²	71.7	68%	0.678	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-57.4	-23.4	178.3	-65.6	-178.6	-178	178.1	0	113.4	T266 K282	T266-K268 PolarHBondContact O-N 2.95Å; T266-K268 VanDerWaalsContact O-N 3.13Å; K268-K282 VanDerWaalsContact O-CD 3.31Å; K268-K282 WeakPolarHBondContact O-CD 3.48Å; K268-K282 PolarHBondContact O-NZ 3.41Å
269	H	96.1	Very high	94.4	Very high	53 Å²	53	70.5 Å²	70.5	25%	0.245	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-83	-13.8	-179	-61.7	80.1	0	0	0	113.7	L104 V264 V265 T266 D267 K282	L104-H269 HydrophobicContact CD1-CB 3.81Å; V264-H269 PolarHBondContact O-CE1 3.19Å; V265-H269 HydrophobicContact CG1-CB 4.33Å; T266-H269 PolarHBondContact N-ND1 2.94Å; T266-H269 WeakPolarHBondContact O-CB 3.41Å; T266-H269 PolarHBondContact O-N 3.37Å; T266-H269 PolarHBondContact O-ND1 3.47Å; T266-H269 VanDerWaalsContact O-ND1 3.16Å; T266-H269 PolarHBondContact OG1-ND1 2.77Å; D267-H269 PolarHBondContact O-N 3.46Å; H269-K282 PolarHBondContact O-N 2.9Å
270	F	96.4	Very high	94.2	Very high	15 Å²	15	70.1 Å²	70.1	7%	0.066	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150.5	-173.1	-55.2	-76.9	0	0	0	111.8	F101 P248 A249 V252 V265 T266 D267 C280 L281 K282	F101-F270 HydrophobicContact CB-CE1 4.12Å; F101-F270 HydrophobicContact CB-CZ 4.17Å; F101-F270 AromaticContact CD1-CE1 3.73Å; F101-F270 HydrophobicContact CD1-CE1 3.73Å; F101-F270 AromaticContact CD2-CE1 3.77Å; F101-F270 HydrophobicContact CD2-CE1 3.77Å; F101-F270 HydrophobicContact CD2-CZ 4.18Å; F101-F270 HydrophobicContact CE1-CD1 4.45Å; F101-F270 AromaticContact CE1-CE1 3.98Å; F101-F270 HydrophobicContact CE1-CE1 3.98Å; F101-F270 HydrophobicContact CE2-CE1 4.03Å; F101-F270 AromaticContact CG-CE1 3.61Å; F101-F270 HydrophobicContact CG-CE1 3.61Å; F101-F270 HydrophobicContact CG-CZ 4.09Å; F101-F270 HydrophobicContact CZ-CD1 4.48Å; F101-F270 HydrophobicContact CZ-CE1 4.12Å; P248-F270 HydrophobicContact CB-CD1 4Å; P248-F270 HydrophobicContact CB-CD2 4.25Å; P248-F270 HydrophobicContact CB-CE1 3.97Å; P248-F270 HydrophobicContact CB-CE2 4.21Å; P248-F270 HydrophobicContact CB-CG 4.14Å; P248-F270 HydrophobicContact CB-CZ 4.07Å; P248-F270 HydrophobicContact CG-CB 4.06Å; P248-F270 HydrophobicContact CG-CD1 3.96Å; P248-F270 HydrophobicContact CG-CD2 3.96Å; P248-F270 HydrophobicContact CG-CE1 4.42Å; P248-F270 HydrophobicContact CG-CE2 4.41Å; P248-F270 HydrophobicContact CG-CG 3.71Å; A249-F270 HydrophobicContact CB-CD2 4.19Å; A249-F270 HydrophobicContact CB-CE2 4.14Å; V252-F270 HydrophobicContact CG2-CZ 4.38Å; V265-F270 HydrophobicContact CG1-CE2 3.86Å; V265-F270 HydrophobicContact CG1-CZ 3.76Å; T266-F270 VanDerWaalsContact O-CD2 3.3Å; T266-F270 WeakPolarHBondContact O-CD2 3.43Å; T266-F270 WeakPolarHBondContact O-CE2 3.49Å; D267-F270 PolarHBondContact O-N 2.79Å; F270-C280 WeakPolarHBondContact CA-O 3.17Å; F270-L281 HydrophobicContact CD1-CD2 3.85Å; F270-L281 HydrophobicContact CE1-CD2 3.62Å; F270-K282 WeakPolarHBondContact O-CE 3.26Å; F270-K282 PolarHBondContact O-NZ 2.86Å
271	Y	94.3	Very high	94	Very high	72 Å²	72	67.3 Å²	67.3	28%	0.282	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149	163.1	73.9	-78.3	0	0	0	108.8	N273 P279 C280 L281 K282 P290 C292	Y271-N273 HydrophobicContact CE2-CB 4.24Å; Y271-P279 WeakPolarHBondContact O-CA 3.47Å; Y271-C280 HydrophobicContact CD1-CB 3.96Å; Y271-C280 WeakPolarHBondContact CD1-O 3.33Å; Y271-C280 HydrophobicContact CE1-CB 3.33Å; Y271-C280 HydrophobicContact CE2-CB 4.08Å; Y271-C280 VanDerWaalsContact CZ-CB 3.42Å; Y271-C280 PolarHBondContact N-O 3.41Å; Y271-C280 PolarHBondContact O-N 3.45Å; Y271-L281 WeakPolarHBondContact CE1-O 3.41Å; Y271-K282 HydrophobicContact CD1-CB 4.49Å; Y271-K282 HydrophobicContact CD1-CG 3.75Å; Y271-K282 HydrophobicContact CG-CG 4.31Å; Y271-P290 HydrophobicContact CE1-CB 3.78Å; Y271-C292 PolarHBondContact OH-SG 2.65Å
272	F	92.9	Very high	93.6	Very high	126 Å²	126	71 Å²	71	55%	0.553	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.3	177.1	-167.6	-100.8	0	0	0	110.3
273	N	92.4	Very high	93.1	Very high	42 Å²	42	69.8 Å²	69.8	23%	0.225	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	104.5	173.3	-176.6	-48.2	0	0	0	108.9	Y271 T275 K276 G277 F278	Y271-N273 HydrophobicContact CE2-CB 4.24Å; N273-T275 PolarHBondContact O-N 3.24Å; N273-T275 WeakPolarHBondContact OD1-CB 3.34Å; N273-T275 PolarHBondContact OD1-N 2.78Å; N273-K276 HydrophobicContact CB-CB 3.98Å; N273-K276 PolarHBondContact O-N 3.49Å; N273-K276 WeakPolarHBondContact OD1-CB 3.05Å; N273-K276 PolarHBondContact OD1-N 3.39Å; N273-G277 PolarHBondContact O-N 3.18Å; N273-F278 PolarHBondContact N-O 3.05Å; N273-F278 VanDerWaalsContact N-O 3.13Å; N273-F278 PolarHBondContact O-N 3.14Å
274	A	89.9	Confident	92.1	Very high	83 Å²	83	63 Å²	63	69%	0.686	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-41	-177.3	0	0	0	0	0	112.8	K276 G277	A274-K276 VanDerWaalsContact C-N 3.3Å; A274-K276 PolarHBondContact O-N 3.2Å; A274-G277 PolarHBondContact O-N 3.27Å
275	T	85.8	Confident	91	Very high	144 Å²	144	64.3 Å²	64.3	88%	0.883	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-38.7	177.2	-47.3	0	0	0	0	112.1	N273	N273-T275 PolarHBondContact O-N 3.24Å; N273-T275 WeakPolarHBondContact OD1-CB 3.34Å; N273-T275 PolarHBondContact OD1-N 2.78Å
276	K	86.6	Confident	89.9	Confident	54 Å²	54	68.4 Å²	68.4	24%	0.235	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-30.5	177.8	-167.1	-179.9	170.6	70	0	111.8	N273 A274 F278 C292 L293 G294 K297	N273-K276 HydrophobicContact CB-CB 3.98Å; N273-K276 PolarHBondContact O-N 3.49Å; N273-K276 WeakPolarHBondContact OD1-CB 3.05Å; N273-K276 PolarHBondContact OD1-N 3.39Å; A274-K276 VanDerWaalsContact C-N 3.3Å; A274-K276 PolarHBondContact O-N 3.2Å; K276-F278 HydrophobicContact CD-CB 4.38Å; K276-F278 HydrophobicContact CG-CB 4.37Å; K276-F278 HydrophobicContact CG-CD2 4.18Å; K276-F278 WeakPolarHBondContact O-CD2 3.4Å; K276-C292 HydrophobicContact CD-CB 3.82Å; K276-L293 WeakPolarHBondContact CE-O 3.43Å; K276-L293 PolarHBondContact NZ-O 2.85Å; K276-G294 PolarHBondContact NZ-O 3.43Å; K276-K297 PolarHBondContact NZ-O 3.21Å
277	G	88.6	Confident	89	Confident	32 Å²	32	68.9 Å²	68.9	33%	0.33	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	22.2	-172.3	0	0	0	0	0	114	N273 A274	N273-G277 PolarHBondContact O-N 3.18Å; A274-G277 PolarHBondContact O-N 3.27Å
278	F	92.8	Very high	88.3	Confident	73 Å²	73	68.7 Å²	68.7	32%	0.32	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.6	-177.2	-71.3	-82.8	0	0	0	111.9	V245 N273 K276	V245-F278 HydrophobicContact CG1-CD1 4.09Å; V245-F278 HydrophobicContact CG1-CE1 4.43Å; V245-F278 HydrophobicContact CG2-CD1 3.95Å; V245-F278 HydrophobicContact CG2-CE1 3.99Å; N273-F278 PolarHBondContact N-O 3.05Å; N273-F278 VanDerWaalsContact N-O 3.13Å; N273-F278 PolarHBondContact O-N 3.14Å; K276-F278 HydrophobicContact CD-CB 4.38Å; K276-F278 HydrophobicContact CG-CB 4.37Å; K276-F278 HydrophobicContact CG-CD2 4.18Å; K276-F278 WeakPolarHBondContact O-CD2 3.4Å
279	P	92.3	Very high	87.8	Confident	11 Å²	11	70.2 Å²	70.2	7%	0.071	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	144	170.1	28.6	-34.8	0	0	0	111.3	F101 V245 P248 Y271	F101-P279 HydrophobicContact CZ-CG 4.33Å; V245-P279 WeakPolarHBondContact O-CD 3.36Å; V245-P279 WeakPolarHBondContact O-CG 3.37Å; P248-P279 HydrophobicContact CG-CB 3.98Å; P248-P279 HydrophobicContact CG-CG 4.27Å; Y271-P279 WeakPolarHBondContact O-CA 3.47Å
280	C	93.9	Very high	87.4	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	162.8	177.9	-60.5	0	0	0	0	110.2	F270 Y271 C292	F270-C280 WeakPolarHBondContact CA-O 3.17Å; Y271-C280 HydrophobicContact CD1-CB 3.96Å; Y271-C280 WeakPolarHBondContact CD1-O 3.33Å; Y271-C280 HydrophobicContact CE1-CB 3.33Å; Y271-C280 HydrophobicContact CE2-CB 4.08Å; Y271-C280 VanDerWaalsContact CZ-CB 3.42Å; Y271-C280 PolarHBondContact N-O 3.41Å; Y271-C280 PolarHBondContact O-N 3.45Å; C280-C292 HydrophobicContact CB-CB 3.98Å; C280-C292 WeakPolarHBondContact CB-SG 3.44Å; C280-C292 WeakPolarHBondContact SG-CA 3.18Å; C280-C292 WeakPolarHBondContact SG-CB 3.49Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.24Å
281	L	93.2	Very high	87.1	Confident	7 Å²	7	77.2 Å²	77.2	4%	0.037	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.6	-179.6	-57.8	-179.7	0	0	0	110	F101 L104 F270 Y271 K283 A284 P290 R291	F101-L281 HydrophobicContact CD1-CD2 3.42Å; F101-L281 VanDerWaalsContact CD1-CD2 3.42Å; F101-L281 HydrophobicContact CD1-CG 4.23Å; F101-L281 HydrophobicContact CE1-CD2 3.68Å; F101-L281 HydrophobicContact CE1-CG 4.29Å; F101-L281 HydrophobicContact CG-CD2 4.4Å; L104-L281 HydrophobicContact CD1-CD2 3.69Å; L104-L281 HydrophobicContact CD2-CD1 4.24Å; L104-L281 HydrophobicContact CG-CD1 4.49Å; L104-L281 HydrophobicContact CG-CD2 4.47Å; F270-L281 HydrophobicContact CD1-CD2 3.85Å; F270-L281 HydrophobicContact CE1-CD2 3.62Å; Y271-L281 WeakPolarHBondContact CE1-O 3.41Å; L281-K283 VanDerWaalsContact C-N 3.3Å; L281-K283 PolarHBondContact O-N 2.04Å; L281-A284 HydrophobicContact CD1-CB 4.46Å; L281-P290 CarbonylContact O-C 3.6Å; L281-P290 VanDerWaalsContact O-CA 3.26Å; L281-P290 WeakPolarHBondContact O-CA 3.22Å; L281-R291 PolarHBondContact N-O 3.33Å; L281-R291 PolarHBondContact O-N 2.99Å
282	K	90.3	Very high	87	Confident	95 Å²	95	75.5 Å²	75.5	41%	0.413	42%	0.421	S	S	.	.	S	Bend	trans	-65.3	-36	174.2	-70.7	-166.5	-171.6	137.4	0	112	K268 H269 F270 Y271 P290	K268-K282 VanDerWaalsContact O-CD 3.31Å; K268-K282 WeakPolarHBondContact O-CD 3.48Å; K268-K282 PolarHBondContact O-NZ 3.41Å; H269-K282 PolarHBondContact O-N 2.9Å; F270-K282 WeakPolarHBondContact O-CE 3.26Å; F270-K282 PolarHBondContact O-NZ 2.86Å; Y271-K282 HydrophobicContact CD1-CB 4.49Å; Y271-K282 HydrophobicContact CD1-CG 3.75Å; Y271-K282 HydrophobicContact CG-CG 4.31Å; K282-P290 VanDerWaalsContact O-CA 3.29Å; K282-P290 WeakPolarHBondContact O-CA 2.96Å
283	K	87.1	Confident	86.8	Confident	142 Å²	142	71.4 Å²	71.4	62%	0.617	41%	0.405	S	S	*	.	S	Bend	trans	-138.2	124.3	172.3	-64.4	-177.6	-178.7	178.9	0	108.2	L104 L281	L104-K283 WeakPolarHBondContact CD2-O 3.01Å; L281-K283 VanDerWaalsContact C-N 3.3Å; L281-K283 PolarHBondContact O-N 2.04Å
284	A	78.3	Confident	86.6	Confident	7 Å²	7	71.6 Å²	71.6	6%	0.058	42%	0.417	C	S	.	.			trans	-85.5	158.1	174.8	0	0	0	0	0	111	L281 G286 S287 R291	L281-A284 HydrophobicContact CD1-CB 4.46Å; A284-G286 PolarHBondContact O-N 3.12Å; A284-G286 VanDerWaalsContact O-N 3.11Å; A284-S287 PolarHBondContact O-N 2.84Å; A284-R291 HydrophobicContact CB-CB 3.85Å; A284-R291 HydrophobicContact CB-CG 4.45Å
285	Q	73.9	Confident	86.4	Confident	80 Å²	80	77.4 Å²	77.4	37%	0.374	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	120.4	174.5	-171.3	179.6	47	0	0	110.5	R103 S287	R103-Q285 WeakPolarHBondContact O-CG 3.49Å; R103-Q285 PolarHBondContact O-NE2 3.24Å; Q285-S287 VanDerWaalsContact C-N 3.34Å
286	G	73.8	Confident	86.4	Confident	90 Å²	90	73.1 Å²	73.1	93%	0.928	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	13.9	-179	0	0	0	0	0	115.4	A284	A284-G286 PolarHBondContact O-N 3.12Å; A284-G286 VanDerWaalsContact O-N 3.11Å
287	S	79.9	Confident	86.6	Confident	58 Å²	58	74 Å²	74	41%	0.406	41%	0.407	S	S	.	.			trans	-139.6	138.9	175.7	-172.6	0	0	0	0	112.1	A284 Q285 R289	A284-S287 PolarHBondContact O-N 2.84Å; Q285-S287 VanDerWaalsContact C-N 3.34Å; S287-R289 VanDerWaalsContact C-N 3.29Å; S287-R289 PolarHBondContact OG-N 3.35Å
288	S	80.9	Confident	86.5	Confident	101 Å²	101	74.4 Å²	74.4	71%	0.706	41%	0.411	S	S	*	.	S	Bend	trans	-79.2	-9.6	173.2	55.3	0	0	0	0	113.7
289	R	84.4	Confident	86.5	Confident	189 Å²	189	74 Å²	74	71%	0.713	41%	0.407	S	S	*	.	S	Bend	trans	-95.3	149.9	-174.2	-67	-177.3	178.6	152.5	0.1	112.6	S287	S287-R289 VanDerWaalsContact C-N 3.29Å; S287-R289 PolarHBondContact OG-N 3.35Å
290	P	87.3	Confident	86.4	Confident	84 Å²	84	79.3 Å²	79.3	55%	0.545	44%	0.441	S	S	.	.			trans	-59.2	144.4	169.8	-22.5	32.9	0	0	0	112.2	Y271 L281 K282	Y271-P290 HydrophobicContact CE1-CB 3.78Å; L281-P290 CarbonylContact O-C 3.6Å; L281-P290 VanDerWaalsContact O-CA 3.26Å; L281-P290 WeakPolarHBondContact O-CA 3.22Å; K282-P290 VanDerWaalsContact O-CA 3.29Å; K282-P290 WeakPolarHBondContact O-CA 2.96Å
291	R	90.6	Very high	86.4	Confident	130 Å²	130	82.9 Å²	82.9	49%	0.491	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-140.8	119.7	-179.4	-169	-179.3	-177.6	-150	1.7	111.4	E100 L281 A284	E100-R291 IonicContact OE2-CZ 3.3Å; E100-R291 IonicContact OE2-NH1 2.66Å; E100-R291 PolarHBondContact OE2-NH1 3.4Å; L281-R291 PolarHBondContact N-O 3.33Å; L281-R291 PolarHBondContact O-N 2.99Å; A284-R291 HydrophobicContact CB-CB 3.85Å; A284-R291 HydrophobicContact CB-CG 4.45Å
292	C	91.4	Very high	86.3	Confident	36 Å²	36	84.5 Å²	84.5	24%	0.243	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-89.4	156.9	164.7	-67.1	0	0	0	0	110.9	Y271 K276 C280	Y271-C292 PolarHBondContact OH-SG 2.65Å; K276-C292 HydrophobicContact CD-CB 3.82Å; C280-C292 HydrophobicContact CB-CB 3.98Å; C280-C292 WeakPolarHBondContact CB-SG 3.44Å; C280-C292 WeakPolarHBondContact SG-CA 3.18Å; C280-C292 WeakPolarHBondContact SG-CB 3.49Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.24Å
293	L	90.4	Very high	86.5	Confident	40 Å²	40	91.9 Å²	91.9	21%	0.209	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-61.7	145.1	167	-63.4	175.7	0	0	0	110.5	R96 A97 E100 K276 K297	R96-L293 HydrophobicContact CG-CD2 4.46Å; A97-L293 HydrophobicContact CB-CD1 3.7Å; E100-L293 HydrophobicContact CB-CD2 4.44Å; E100-L293 HydrophobicContact CG-CD2 3.96Å; K276-L293 WeakPolarHBondContact CE-O 3.43Å; K276-L293 PolarHBondContact NZ-O 2.85Å; L293-K297 HydrophobicContact CB-CB 3.71Å; L293-K297 HydrophobicContact CB-CG 3.92Å; L293-K297 HydrophobicContact CD1-CB 4.13Å; L293-K297 HydrophobicContact CD1-CG 4.31Å
294	G	87.4	Confident	87	Confident	47 Å²	47	86.1 Å²	86.1	49%	0.485	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-62	172.7	-176.2	0	0	0	0	0	114.8	K276 S296 K297	K276-G294 PolarHBondContact NZ-O 3.43Å; G294-S296 PolarHBondContact O-N 3.39Å; G294-K297 PolarHBondContact O-N 2.97Å
295	K	85.8	Confident	87.8	Confident	204 Å²	204	89.2 Å²	89.2	89%	0.887	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.8	-177.2	-59.5	-176	-179.5	-177.7	0	113.8	K297	K295-K297 PolarHBondContact O-N 3.16Å
296	S	84.9	Confident	89	Confident	54 Å²	54	90.4 Å²	90.4	38%	0.378	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.6	175.5	70.5	0	0	0	0	114.4	G294 R299	G294-S296 PolarHBondContact O-N 3.39Å; S296-R299 VanDerWaalsContact CB-NH2 3.27Å; S296-R299 VanDerWaalsContact O-CZ 3.29Å; S296-R299 PolarHBondContact O-NH1 3.22Å
297	K	91.6	Very high	90.1	Very high	74 Å²	74	87.9 Å²	87.9	32%	0.322	48%	0.475	S	S	.	.	S	Bend	trans	-124.1	126	178.6	-51.9	-61.4	172.9	-177.6	0	108.9	K276 L293 G294 K295	K276-K297 PolarHBondContact NZ-O 3.21Å; L293-K297 HydrophobicContact CB-CB 3.71Å; L293-K297 HydrophobicContact CB-CG 3.92Å; L293-K297 HydrophobicContact CD1-CB 4.13Å; L293-K297 HydrophobicContact CD1-CG 4.31Å; G294-K297 PolarHBondContact O-N 2.97Å; K295-K297 PolarHBondContact O-N 3.16Å
298	G	87.3	Confident	91	Very high	40 Å²	40	85.1 Å²	85.1	41%	0.412	46%	0.456	S	S	.	.	S	Bend	trans	80	43	-169.8	0	0	0	0	0	113.4
299	R	90.8	Very high	91.8	Very high	64 Å²	64	82.1 Å²	82.1	24%	0.242	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-66.8	145.1	177.1	-71.2	-175.2	-173.8	73.8	2	110.1	S296 H301	S296-R299 VanDerWaalsContact CB-NH2 3.27Å; S296-R299 VanDerWaalsContact O-CZ 3.29Å; S296-R299 PolarHBondContact O-NH1 3.22Å; R299-H301 PolarHBondContact O-CD2 3.44Å; R299-H301 VanDerWaalsContact O-CD2 3.3Å; R299-H301 PolarHBondContact O-N 2.86Å
300	P	90.3	Very high	92.4	Very high	122 Å²	122	80.2 Å²	80.2	79%	0.792	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-53	135.2	164.4	-23.7	34	0	0	0	110.2
301	H	93.8	Very high	92.9	Very high	76 Å²	76	80.7 Å²	80.7	35%	0.352	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-88.2	141.6	175.5	-72.6	-172.4	0	0	0	109.4	R173 I180 S181 R299	R173-H301 PolarHBondContact NH2-CE1 3.34Å; I180-H301 HydrophobicContact CG2-CB 3.88Å; S181-H301 WeakPolarHBondContact CB-NE2 3.49Å; S181-H301 PolarHBondContact OG-NE2 2.94Å; R299-H301 PolarHBondContact O-CD2 3.44Å; R299-H301 VanDerWaalsContact O-CD2 3.3Å; R299-H301 PolarHBondContact O-N 2.86Å
302	P	92.8	Very high	93.3	Very high	41 Å²	41	74.5 Å²	74.5	27%	0.266	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63.1	150	171.3	27.6	-32.8	0	0	0	109.8	Y183 V304	Y183-P302 HydrophobicContact CD1-CG 3.73Å; Y183-P302 HydrophobicContact CE1-CG 3.84Å; P302-V304 PolarHBondContact O-N 3.43Å
303	R	94.3	Very high	93.6	Very high	251 Å²	251	76.4 Å²	76.4	95%	0.947	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.9	121.3	174.7	-171.1	176.3	-178.2	178.8	0.3	109.1
304	V	96.3	Very high	94	Very high	21 Å²	21	77.8 Å²	77.8	13%	0.127	40%	0.404	C	S	.	.			trans	-110.6	131.3	175.5	179.7	0	0	0	0	108.4	I180 F196 P302 V308 V309	I180-V304 HydrophobicContact CD1-CB 4.26Å; I180-V304 HydrophobicContact CD1-CG2 3.98Å; I180-V304 HydrophobicContact CG1-CG2 4.06Å; I180-V304 HydrophobicContact CG2-CG2 4.22Å; F196-V304 HydrophobicContact CB-CG2 4.3Å; F196-V304 HydrophobicContact CD1-CG1 3.81Å; F196-V304 HydrophobicContact CD1-CG2 4.1Å; F196-V304 HydrophobicContact CE1-CG1 4.19Å; F196-V304 HydrophobicContact CG-CG2 4.13Å; P302-V304 PolarHBondContact O-N 3.43Å; V304-V308 HydrophobicContact CG1-CB 3.81Å; V304-V308 HydrophobicContact CG1-CG1 3.51Å; V304-V309 HydrophobicContact CB-CG2 4.26Å; V304-V309 HydrophobicContact CG1-CG2 3.92Å
305	P	96.9	Very high	94.5	Very high	71 Å²	71	77.4 Å²	77.4	46%	0.461	39%	0.389	S	S	.	.			trans	-57	139.1	-179.9	-27	35.1	0	0	0	112.5	A307 V308 V309	P305-A307 PolarHBondContact O-N 3.15Å; P305-A307 VanDerWaalsContact O-N 3.16Å; P305-V308 HydrophobicContact CB-CG2 4.2Å; P305-V308 HydrophobicContact CG-CG2 4.33Å; P305-V308 WeakPolarHBondContact O-CB 3.37Å; P305-V308 PolarHBondContact O-N 3.08Å; P305-V309 PolarHBondContact O-N 3.23Å
306	P	97.8	Very high	95.1	Very high	105 Å²	105	67.7 Å²	67.7	68%	0.682	35%	0.347	S	S	*	.	H	α-helix	trans	-55.1	-36.1	-179.9	-28.8	35.7	0	0	0	114	V308 V309 R310	P306-V308 VanDerWaalsContact C-N 3.31Å; P306-V308 PolarHBondContact O-N 3.22Å; P306-V309 PolarHBondContact O-N 3.4Å; P306-R310 WeakPolarHBondContact O-CB 3.45Å; P306-R310 PolarHBondContact O-N 2.97Å
307	A	97.3	Very high	95.8	Very high	37 Å²	37	70.1 Å²	70.1	31%	0.306	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-36.5	176.5	0	0	0	0	0	113	L205 P305 R311	L205-A307 HydrophobicContact CD1-CB 3.95Å; P305-A307 PolarHBondContact O-N 3.15Å; P305-A307 VanDerWaalsContact O-N 3.16Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 3.4Å; A307-R311 VanDerWaalsContact O-N 3.07Å
308	V	97.8	Very high	96.1	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-66.8	-45.3	174.6	167.7	0	0	0	0	110.5	F196 R197 F201 L205 V304 P305 P306 R311 L312	F196-V308 HydrophobicContact CD1-CG1 3.89Å; F196-V308 HydrophobicContact CE1-CG1 3.86Å; R197-V308 HydrophobicContact CB-CG2 4Å; R197-V308 HydrophobicContact CG-CG2 3.94Å; F201-V308 HydrophobicContact CE2-CB 4.35Å; F201-V308 HydrophobicContact CE2-CG1 3.76Å; F201-V308 HydrophobicContact CE2-CG2 4.22Å; F201-V308 HydrophobicContact CZ-CG1 4.25Å; L205-V308 HydrophobicContact CD2-CB 4.45Å; L205-V308 HydrophobicContact CD2-CG2 3.53Å; V304-V308 HydrophobicContact CG1-CB 3.81Å; V304-V308 HydrophobicContact CG1-CG1 3.51Å; P305-V308 HydrophobicContact CB-CG2 4.2Å; P305-V308 HydrophobicContact CG-CG2 4.33Å; P305-V308 WeakPolarHBondContact O-CB 3.37Å; P305-V308 PolarHBondContact O-N 3.08Å; P306-V308 VanDerWaalsContact C-N 3.31Å; P306-V308 PolarHBondContact O-N 3.22Å; V308-R311 PolarHBondContact O-N 2.64Å; V308-L312 HydrophobicContact CG1-CD1 4.32Å; V308-L312 PolarHBondContact O-N 2.88Å
309	V	98	Very high	96.6	Very high	38 Å²	38	70.7 Å²	70.7	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-50.6	178.7	174.1	0	0	0	0	110.3	V176 V304 P305 P306 R311 L312 Q313	V176-V309 HydrophobicContact CG1-CG1 4.16Å; V304-V309 HydrophobicContact CB-CG2 4.26Å; V304-V309 HydrophobicContact CG1-CG2 3.92Å; P305-V309 PolarHBondContact O-N 3.23Å; P306-V309 PolarHBondContact O-N 3.4Å; V309-R311 VanDerWaalsContact C-N 3.34Å; V309-R311 PolarHBondContact O-N 3.27Å; V309-L312 PolarHBondContact O-N 3.01Å; V309-Q313 HydrophobicContact CG1-CG 4.42Å; V309-Q313 WeakPolarHBondContact O-CG 3.46Å; V309-Q313 PolarHBondContact O-N 3.21Å
310	R	97.6	Very high	97	Very high	149 Å²	149	67.8 Å²	67.8	56%	0.562	34%	0.336	S	S	*	.	H	α-helix	trans	-57.6	-45.9	178.6	-175	176.3	65.4	-138.2	1.5	111.8	P306 L312 Q313 E314	P306-R310 WeakPolarHBondContact O-CB 3.45Å; P306-R310 PolarHBondContact O-N 2.97Å; R310-L312 VanDerWaalsContact C-N 3.33Å; R310-L312 PolarHBondContact O-N 3.25Å; R310-Q313 WeakPolarHBondContact O-CB 3.35Å; R310-Q313 PolarHBondContact O-N 3.3Å; R310-Q313 VanDerWaalsContact O-N 3.17Å; R310-E314 WeakPolarHBondContact O-CG 3.48Å; R310-E314 PolarHBondContact O-N 3.26Å
311	R	97.9	Very high	97.4	Very high	93 Å²	93	68.9 Å²	68.9	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-39.1	178.8	-173.1	66	-173	133.4	0.7	112.6	F201 A307 V308 V309 E314 F315	F201-R311 HydrophobicContact CE1-CB 4.16Å; F201-R311 HydrophobicContact CE1-CG 3.49Å; F201-R311 VanDerWaalsContact CE1-CG 3.49Å; F201-R311 HydrophobicContact CZ-CB 4.02Å; F201-R311 HydrophobicContact CZ-CG 3.89Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 3.4Å; A307-R311 VanDerWaalsContact O-N 3.07Å; V308-R311 PolarHBondContact O-N 2.64Å; V309-R311 VanDerWaalsContact C-N 3.34Å; V309-R311 PolarHBondContact O-N 3.27Å; R311-E314 IonicContact NH1-OE2 3.3Å; R311-E314 PolarHBondContact NH1-OE2 3.22Å; R311-F315 WeakPolarHBondContact O-CB 3.35Å; R311-F315 PolarHBondContact O-N 3.15Å
312	L	98.3	Very high	97.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-36	174.5	-75.1	175.1	0	0	0	112.7	V176 F196 F201 V208 V215 V308 V309 R310 F315 Y316	V176-L312 HydrophobicContact CG1-CB 4.22Å; V176-L312 HydrophobicContact CG1-CD1 4.33Å; V176-L312 HydrophobicContact CG2-CB 3.85Å; F196-L312 HydrophobicContact CE1-CD1 3.47Å; F196-L312 VanDerWaalsContact CE1-CD1 3.47Å; F196-L312 HydrophobicContact CZ-CD1 3.69Å; F201-L312 HydrophobicContact CZ-CD2 4.38Å; F201-L312 HydrophobicContact CZ-CG 4.15Å; V208-L312 HydrophobicContact CG1-CD2 3.88Å; V208-L312 HydrophobicContact CG2-CD2 3.88Å; V215-L312 HydrophobicContact CG2-CD2 4.39Å; V308-L312 HydrophobicContact CG1-CD1 4.32Å; V308-L312 PolarHBondContact O-N 2.88Å; V309-L312 PolarHBondContact O-N 3.01Å; R310-L312 VanDerWaalsContact C-N 3.33Å; R310-L312 PolarHBondContact O-N 3.25Å; L312-F315 PolarHBondContact O-N 3.22Å; L312-Y316 HydrophobicContact CB-CD2 4.47Å; L312-Y316 HydrophobicContact CB-CE2 4.48Å; L312-Y316 HydrophobicContact CD2-CE2 4.43Å; L312-Y316 WeakPolarHBondContact O-CD2 3.49Å; L312-Y316 PolarHBondContact O-N 3.17Å
313	Q	98.4	Very high	97.9	Very high	76 Å²	76	67.4 Å²	67.4	36%	0.355	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-46.5	173.5	-71.8	171	-37.5	0	0	110.9	V176 V309 R310 F315 Y316 R317	V176-Q313 HydrophobicContact CG2-CG 3.87Å; V309-Q313 HydrophobicContact CG1-CG 4.42Å; V309-Q313 WeakPolarHBondContact O-CG 3.46Å; V309-Q313 PolarHBondContact O-N 3.21Å; R310-Q313 WeakPolarHBondContact O-CB 3.35Å; R310-Q313 PolarHBondContact O-N 3.3Å; R310-Q313 VanDerWaalsContact O-N 3.17Å; Q313-F315 VanDerWaalsContact C-N 3.32Å; Q313-F315 PolarHBondContact O-N 2.95Å; Q313-Y316 PolarHBondContact O-N 3.41Å; Q313-R317 WeakPolarHBondContact O-CB 3.24Å; Q313-R317 PolarHBondContact O-N 3.26Å
314	E	98.1	Very high	98.1	Very high	69 Å²	69	56.4 Å²	56.4	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-44.1	174.1	-71.2	164.4	-165.4	0	0	112	R310 R311 P318	R310-E314 WeakPolarHBondContact O-CG 3.48Å; R310-E314 PolarHBondContact O-N 3.26Å; R311-E314 IonicContact NH1-OE2 3.3Å; R311-E314 PolarHBondContact NH1-OE2 3.22Å; E314-P318 WeakPolarHBondContact O-CD 3.44Å
315	F	98.4	Very high	98.2	Very high	39 Å²	39	63 Å²	63	17%	0.171	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-44.9	177.2	167.6	-97.5	0	0	0	112.5	V208 T210 V215 M219 R311 L312 Q313 P318 F319	V208-F315 HydrophobicContact CB-CB 4.49Å; V208-F315 HydrophobicContact CB-CD1 4.35Å; V208-F315 HydrophobicContact CB-CD2 3.74Å; V208-F315 HydrophobicContact CB-CE2 4.04Å; V208-F315 HydrophobicContact CB-CG 3.92Å; V208-F315 HydrophobicContact CB-CZ 4.47Å; V208-F315 HydrophobicContact CG1-CD1 3.92Å; V208-F315 HydrophobicContact CG1-CD2 4.12Å; V208-F315 HydrophobicContact CG1-CE1 3.95Å; V208-F315 HydrophobicContact CG1-CE2 4.14Å; V208-F315 HydrophobicContact CG1-CG 4.02Å; V208-F315 HydrophobicContact CG1-CZ 4.07Å; V208-F315 HydrophobicContact CG2-CB 3.75Å; V208-F315 HydrophobicContact CG2-CD1 4.31Å; V208-F315 HydrophobicContact CG2-CD2 3.91Å; V208-F315 HydrophobicContact CG2-CG 3.71Å; T210-F315 HydrophobicContact CG2-CE2 3.9Å; T210-F315 HydrophobicContact CG2-CZ 3.59Å; V215-F315 HydrophobicContact CG1-CE1 3.76Å; V215-F315 HydrophobicContact CG1-CZ 4.14Å; M219-F315 HydrophobicContact CE-CZ 4Å; M219-F315 HydrophobicContact CG-CE1 4.45Å; M219-F315 HydrophobicContact SD-CZ 4.11Å; R311-F315 WeakPolarHBondContact O-CB 3.35Å; R311-F315 PolarHBondContact O-N 3.15Å; L312-F315 PolarHBondContact O-N 3.22Å; Q313-F315 VanDerWaalsContact C-N 3.32Å; Q313-F315 PolarHBondContact O-N 2.95Å; F315-P318 WeakPolarHBondContact O-CD 3.21Å; F315-F319 HydrophobicContact CE1-CE2 4.42Å; F315-F319 HydrophobicContact CE2-CE2 4.05Å; F315-F319 AromaticContact CZ-CE2 3.97Å; F315-F319 HydrophobicContact CZ-CE2 3.97Å; F315-F319 VanDerWaalsContact O-CD2 3.3Å; F315-F319 WeakPolarHBondContact O-CD2 3.49Å; F315-F319 WeakPolarHBondContact O-CE2 3.18Å
316	Y	98.7	Very high	98.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-77.2	-26.2	-177.9	-76.6	-61.5	0	0	0	113.9	P175 V176 V215 M219 L312 Q313 F319 N320	P175-Y316 HydrophobicContact CB-CD1 3.82Å; P175-Y316 HydrophobicContact CB-CD2 3.82Å; P175-Y316 HydrophobicContact CB-CE1 3.87Å; P175-Y316 HydrophobicContact CB-CE2 3.86Å; P175-Y316 HydrophobicContact CB-CG 3.79Å; P175-Y316 HydrophobicContact CG-CD1 3.95Å; P175-Y316 HydrophobicContact CG-CD2 3.76Å; P175-Y316 HydrophobicContact CG-CE1 4.5Å; P175-Y316 HydrophobicContact CG-CE2 4.32Å; P175-Y316 HydrophobicContact CG-CG 3.54Å; V176-Y316 HydrophobicContact CG2-CD2 3.76Å; V176-Y316 HydrophobicContact CG2-CE2 4.18Å; V215-Y316 VanDerWaalsContact C-OH 3.32Å; V215-Y316 WeakPolarHBondContact CA-OH 3.3Å; V215-Y316 PolarHBondContact O-OH 3.38Å; M219-Y316 HydrophobicContact CG-CE1 4.04Å; L312-Y316 HydrophobicContact CB-CD2 4.47Å; L312-Y316 HydrophobicContact CB-CE2 4.48Å; L312-Y316 HydrophobicContact CD2-CE2 4.43Å; L312-Y316 WeakPolarHBondContact O-CD2 3.49Å; L312-Y316 PolarHBondContact O-N 3.17Å; Q313-Y316 PolarHBondContact O-N 3.41Å; Y316-F319 CarbonylContact O-C 3.54Å; Y316-F319 WeakPolarHBondContact O-CA 3.34Å; Y316-F319 WeakPolarHBondContact O-CB 3.46Å; Y316-F319 PolarHBondContact O-N 2.99Å; Y316-N320 PolarHBondContact O-N 3.16Å
317	R	98.6	Very high	98.3	Very high	105 Å²	105	57.3 Å²	57.3	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-44.3	-52.9	-176.5	-176.5	178	-67.2	141.5	-1.7	114.6	Q313 F319 N320 R321	Q313-R317 WeakPolarHBondContact O-CB 3.24Å; Q313-R317 PolarHBondContact O-N 3.26Å; R317-F319 VanDerWaalsContact C-N 3.3Å; R317-F319 PolarHBondContact O-N 3.15Å; R317-N320 PolarHBondContact O-N 2.99Å; R317-R321 WeakPolarHBondContact O-CG 3.19Å; R317-R321 PolarHBondContact O-N 3.15Å
318	P	98.4	Very high	98.4	Very high	78 Å²	78	59.1 Å²	59.1	51%	0.506	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-36.8	178.3	23.8	-34.5	0	0	0	112.9	E314 F315 K322	E314-P318 WeakPolarHBondContact O-CD 3.44Å; F315-P318 WeakPolarHBondContact O-CD 3.21Å; P318-K322 PolarHBondContact O-N 3.29Å; P318-K322 VanDerWaalsContact O-N 3.11Å
319	F	98.4	Very high	98.4	Very high	48 Å²	48	61.1 Å²	61.1	21%	0.211	29%	0.293	C	S	.	.	H	α-helix	trans	-71.6	-37	177.3	-56.9	-77.7	0	0	0	112.4	M219 Q222 F315 Y316 R317 F323	M219-F319 HydrophobicContact CE-CD1 4.01Å; M219-F319 HydrophobicContact CE-CD2 4.31Å; M219-F319 HydrophobicContact CE-CE1 3.4Å; M219-F319 HydrophobicContact CE-CE2 3.75Å; M219-F319 HydrophobicContact CE-CG 4.44Å; M219-F319 HydrophobicContact CE-CZ 3.25Å; Q222-F319 HydrophobicContact CG-CD1 4.31Å; Q222-F319 HydrophobicContact CG-CE1 4.35Å; F315-F319 HydrophobicContact CE1-CE2 4.42Å; F315-F319 HydrophobicContact CE2-CE2 4.05Å; F315-F319 AromaticContact CZ-CE2 3.97Å; F315-F319 HydrophobicContact CZ-CE2 3.97Å; F315-F319 VanDerWaalsContact O-CD2 3.3Å; F315-F319 WeakPolarHBondContact O-CD2 3.49Å; F315-F319 WeakPolarHBondContact O-CE2 3.18Å; Y316-F319 CarbonylContact O-C 3.54Å; Y316-F319 WeakPolarHBondContact O-CA 3.34Å; Y316-F319 WeakPolarHBondContact O-CB 3.46Å; Y316-F319 PolarHBondContact O-N 2.99Å; R317-F319 VanDerWaalsContact C-N 3.3Å; R317-F319 PolarHBondContact O-N 3.15Å; F319-F323 WeakPolarHBondContact O-CB 3.45Å; F319-F323 PolarHBondContact O-N 2.97Å
320	N	98.8	Very high	98.4	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-50	174.8	-69	-15.1	0	0	0	110.5	P175 Y316 R317 K322 F323 Y324 G334	P175-N320 WeakPolarHBondContact CG-OD1 3.44Å; Y316-N320 PolarHBondContact O-N 3.16Å; R317-N320 PolarHBondContact O-N 2.99Å; N320-K322 VanDerWaalsContact C-N 3.34Å; N320-K322 PolarHBondContact O-N 3.4Å; N320-F323 CarbonylContact O-C 3.53Å; N320-F323 WeakPolarHBondContact O-CA 3.33Å; N320-F323 WeakPolarHBondContact O-CB 3.44Å; N320-F323 PolarHBondContact O-N 3.02Å; N320-Y324 HydrophobicContact CB-CE1 4.37Å; N320-Y324 HydrophobicContact CB-CE2 4.11Å; N320-Y324 VanDerWaalsContact O-CD1 3.23Å; N320-Y324 WeakPolarHBondContact O-CD1 3.14Å; N320-Y324 PolarHBondContact O-N 3.26Å; N320-G334 WeakPolarHBondContact CB-O 3.3Å; N320-G334 PolarHBondContact ND2-O 3.04Å
321	R	98.6	Very high	98.4	Very high	144 Å²	144	58.7 Å²	58.7	54%	0.543	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-45.6	178.1	-71.7	179.1	177.8	-163.9	-5	112	R317 F323 Y324 Q325	R317-R321 WeakPolarHBondContact O-CG 3.19Å; R317-R321 PolarHBondContact O-N 3.15Å; R321-F323 VanDerWaalsContact C-N 3.32Å; R321-F323 PolarHBondContact O-N 3.46Å; R321-Y324 PolarHBondContact O-N 3.38Å; R321-Q325 WeakPolarHBondContact O-CG 3.36Å; R321-Q325 PolarHBondContact O-N 2.75Å
322	K	98.7	Very high	98.3	Very high	85 Å²	85	57.3 Å²	57.3	37%	0.37	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-45.5	173.5	-172.8	-178.2	177.3	-169	0	111	A221 D225 P318 N320 Y324 Q325 M326	A221-K322 HydrophobicContact CB-CB 4.04Å; A221-K322 HydrophobicContact CB-CD 3.94Å; A221-K322 HydrophobicContact CB-CG 3.97Å; D225-K322 IonicContact OD1-NZ 3.94Å; D225-K322 PolarHBondContact OD1-NZ 2.82Å; D225-K322 IonicContact OD2-NZ 3.31Å; D225-K322 PolarHBondContact OD2-NZ 2.9Å; P318-K322 PolarHBondContact O-N 3.29Å; P318-K322 VanDerWaalsContact O-N 3.11Å; N320-K322 VanDerWaalsContact C-N 3.34Å; N320-K322 PolarHBondContact O-N 3.4Å; K322-Y324 VanDerWaalsContact C-N 3.34Å; K322-Y324 PolarHBondContact O-N 3.19Å; K322-Q325 PolarHBondContact O-N 3.46Å; K322-M326 HydrophobicContact CD-SD 4.29Å; K322-M326 HydrophobicContact CG-CG 4.3Å; K322-M326 HydrophobicContact CG-SD 3.92Å; K322-M326 WeakPolarHBondContact O-CB 3.45Å; K322-M326 WeakPolarHBondContact O-CG 3.44Å; K322-M326 PolarHBondContact O-N 3.18Å
323	F	98.8	Very high	98.3	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-38.9	178.4	-176.3	-108.1	0	0	0	112.6	V172 Y220 A221 L224 F238 F319 N320 R321 M326 T327 F331	V172-F323 HydrophobicContact CG1-CE1 4.14Å; V172-F323 HydrophobicContact CG1-CZ 3.81Å; V172-F323 HydrophobicContact CG2-CE1 4.37Å; Y220-F323 HydrophobicContact CD2-CD1 4.4Å; Y220-F323 HydrophobicContact CD2-CE1 4.4Å; A221-F323 HydrophobicContact CB-CB 4.09Å; L224-F323 HydrophobicContact CD2-CD2 4.09Å; L224-F323 HydrophobicContact CD2-CE2 3.89Å; F238-F323 HydrophobicContact CD1-CE2 4.07Å; F238-F323 AromaticContact CD1-CZ 3.53Å; F238-F323 HydrophobicContact CD1-CZ 3.53Å; F238-F323 AromaticContact CE1-CE2 3.85Å; F238-F323 HydrophobicContact CE1-CE2 3.85Å; F238-F323 AromaticContact CE1-CZ 3.83Å; F238-F323 HydrophobicContact CE1-CZ 3.83Å; F238-F323 HydrophobicContact CG-CZ 4.18Å; F319-F323 WeakPolarHBondContact O-CB 3.45Å; F319-F323 PolarHBondContact O-N 2.97Å; N320-F323 CarbonylContact O-C 3.53Å; N320-F323 WeakPolarHBondContact O-CA 3.33Å; N320-F323 WeakPolarHBondContact O-CB 3.44Å; N320-F323 PolarHBondContact O-N 3.02Å; R321-F323 VanDerWaalsContact C-N 3.32Å; R321-F323 PolarHBondContact O-N 3.46Å; F323-M326 PolarHBondContact O-N 3.45Å; F323-T327 HydrophobicContact CD1-CG2 4.47Å; F323-T327 HydrophobicContact CD2-CG2 4.01Å; F323-T327 HydrophobicContact CE1-CG2 4.12Å; F323-T327 HydrophobicContact CE2-CG2 3.63Å; F323-T327 HydrophobicContact CG-CG2 4.42Å; F323-T327 HydrophobicContact CZ-CG2 3.69Å; F323-T327 WeakPolarHBondContact O-CB 3.4Å; F323-T327 VanDerWaalsContact O-CG2 3.3Å; F323-T327 WeakPolarHBondContact O-CG2 3.36Å; F323-T327 PolarHBondContact O-N 3.39Å; F323-T327 PolarHBondContact O-OG1 2.74Å; F323-F331 HydrophobicContact CD1-CD2 4.3Å; F323-F331 HydrophobicContact CD1-CE2 4.18Å; F323-F331 HydrophobicContact CE1-CD2 4.02Å; F323-F331 AromaticContact CE1-CE2 3.58Å; F323-F331 HydrophobicContact CE1-CE2 3.58Å; F323-F331 HydrophobicContact CE1-CZ 4.25Å
324	Y	98.7	Very high	97.6	Very high	21 Å²	21	56.9 Å²	56.9	8%	0.082	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-42.8	177.3	-56.5	-19.7	0	0	0	111.3	N320 R321 K322 T327 G328 Q329 D330 F331 W333	N320-Y324 HydrophobicContact CB-CE1 4.37Å; N320-Y324 HydrophobicContact CB-CE2 4.11Å; N320-Y324 VanDerWaalsContact O-CD1 3.23Å; N320-Y324 WeakPolarHBondContact O-CD1 3.14Å; N320-Y324 PolarHBondContact O-N 3.26Å; R321-Y324 PolarHBondContact O-N 3.38Å; K322-Y324 VanDerWaalsContact C-N 3.34Å; K322-Y324 PolarHBondContact O-N 3.19Å; Y324-T327 PolarHBondContact O-N 3.13Å; Y324-G328 WeakPolarHBondContact O-CA 3.19Å; Y324-G328 PolarHBondContact O-N 3.36Å; Y324-Q329 WeakPolarHBondContact CA-O 3.33Å; Y324-Q329 WeakPolarHBondContact CB-O 3.48Å; Y324-Q329 WeakPolarHBondContact CD1-O 3.46Å; Y324-Q329 PolarHBondContact O-N 3.22Å; Y324-D330 HydrophobicContact CD2-CB 4.41Å; Y324-D330 VanDerWaalsContact CE2-OD1 3.24Å; Y324-D330 WeakPolarHBondContact CE2-OD1 3.34Å; Y324-F331 AromaticContact CD1-CD2 3.74Å; Y324-F331 HydrophobicContact CD1-CD2 3.74Å; Y324-F331 HydrophobicContact CE1-CB 3.82Å; Y324-F331 AromaticContact CE1-CD2 3.64Å; Y324-F331 HydrophobicContact CE1-CD2 3.64Å; Y324-F331 HydrophobicContact CE1-CG 4.21Å; Y324-W333 AromaticContact CE1-CE3 3.98Å; Y324-W333 HydrophobicContact CE1-CE3 3.98Å; Y324-W333 HydrophobicContact CE1-CZ3 4.16Å; Y324-W333 WeakPolarHBondContact OH-CA 3.49Å; Y324-W333 WeakPolarHBondContact OH-CB 3.31Å; Y324-W333 VanDerWaalsContact OH-CE3 3.3Å; Y324-W333 PolarHBondContact OH-N 3.13Å
325	Q	98.5	Very high	97.6	Very high	159 Å²	159	56.3 Å²	56.3	74%	0.743	31%	0.312	S	S	*	.	H	α-helix	trans	-61.1	-47.8	174.1	-70.3	169.6	-12.2	0	0	111.4	R321 K322 T327 G328	R321-Q325 WeakPolarHBondContact O-CG 3.36Å; R321-Q325 PolarHBondContact O-N 2.75Å; K322-Q325 PolarHBondContact O-N 3.46Å; Q325-T327 VanDerWaalsContact C-N 3.29Å; Q325-T327 PolarHBondContact O-N 3.26Å; Q325-G328 PolarHBondContact O-N 2.88Å
326	M	98.6	Very high	97.6	Very high	36 Å²	36	57.2 Å²	57.2	18%	0.177	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-35	179.7	-70.2	171.1	79.4	0	0	112.9	A221 L224 D225 L228 L233 K322 F323	A221-M326 HydrophobicContact CB-SD 3.79Å; L224-M326 HydrophobicContact CB-CE 3.9Å; L224-M326 HydrophobicContact CD2-CB 4.03Å; L224-M326 HydrophobicContact CD2-CE 3.78Å; L224-M326 HydrophobicContact CD2-SD 4.4Å; L224-M326 HydrophobicContact CG-CE 3.69Å; D225-M326 WeakPolarHBondContact OD1-CE 3.42Å; L228-M326 HydrophobicContact CD1-CE 3.75Å; L233-M326 WeakPolarHBondContact CD2-O 3.43Å; K322-M326 HydrophobicContact CD-SD 4.29Å; K322-M326 HydrophobicContact CG-CG 4.3Å; K322-M326 HydrophobicContact CG-SD 3.92Å; K322-M326 WeakPolarHBondContact O-CB 3.45Å; K322-M326 WeakPolarHBondContact O-CG 3.44Å; K322-M326 PolarHBondContact O-N 3.18Å; F323-M326 PolarHBondContact O-N 3.45Å
327	T	98.3	Very high	97.5	Very high	21 Å²	21	60.3 Å²	60.3	13%	0.129	34%	0.337	C	S	.	.	H	α-helix	trans	-97.1	-10.8	-174.9	59.8	0	0	0	0	113.8	L224 F238 F323 Y324 Q325 Q329	L224-T327 HydrophobicContact CD2-CG2 3.84Å; F238-T327 HydrophobicContact CD1-CG2 4.14Å; F238-T327 HydrophobicContact CD2-CG2 3.49Å; F238-T327 VanDerWaalsContact CD2-CG2 3.49Å; F238-T327 HydrophobicContact CE1-CG2 4.03Å; F238-T327 HydrophobicContact CE2-CG2 3.39Å; F238-T327 HydrophobicContact CG-CG2 3.89Å; F238-T327 HydrophobicContact CZ-CG2 3.67Å; F323-T327 HydrophobicContact CD1-CG2 4.47Å; F323-T327 HydrophobicContact CD2-CG2 4.01Å; F323-T327 HydrophobicContact CE1-CG2 4.12Å; F323-T327 HydrophobicContact CE2-CG2 3.63Å; F323-T327 HydrophobicContact CG-CG2 4.42Å; F323-T327 HydrophobicContact CZ-CG2 3.69Å; F323-T327 WeakPolarHBondContact O-CB 3.4Å; F323-T327 VanDerWaalsContact O-CG2 3.3Å; F323-T327 WeakPolarHBondContact O-CG2 3.36Å; F323-T327 PolarHBondContact O-N 3.39Å; F323-T327 PolarHBondContact O-OG1 2.74Å; Y324-T327 PolarHBondContact O-N 3.13Å; Q325-T327 VanDerWaalsContact C-N 3.29Å; Q325-T327 PolarHBondContact O-N 3.26Å; T327-Q329 PolarHBondContact O-N 2.9Å; T327-Q329 PolarHBondContact OG1-N 3.21Å; T327-Q329 PolarHBondContact OG1-O 3.39Å
328	G	98.1	Very high	97.4	Very high	75 Å²	75	57.7 Å²	57.7	77%	0.773	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	18	-171.3	0	0	0	0	0	113.5	Y324 Q325	Y324-G328 WeakPolarHBondContact O-CA 3.19Å; Y324-G328 PolarHBondContact O-N 3.36Å; Q325-G328 PolarHBondContact O-N 2.88Å
329	Q	97.6	Very high	97.4	Very high	42 Å²	42	56.4 Å²	56.4	20%	0.196	32%	0.323	C	S	.	.			trans	-133.8	120.9	-176.1	-177.7	173.6	-9.8	0	0	111	F238 Y324 T327 F331	F238-Q329 PolarHBondContact O-OE1 3.49Å; Y324-Q329 WeakPolarHBondContact CA-O 3.33Å; Y324-Q329 WeakPolarHBondContact CB-O 3.48Å; Y324-Q329 WeakPolarHBondContact CD1-O 3.46Å; Y324-Q329 PolarHBondContact O-N 3.22Å; T327-Q329 PolarHBondContact O-N 2.9Å; T327-Q329 PolarHBondContact OG1-N 3.21Å; T327-Q329 PolarHBondContact OG1-O 3.39Å; Q329-F331 HydrophobicContact CB-CE2 3.83Å; Q329-F331 HydrophobicContact CB-CZ 4.05Å; Q329-F331 HydrophobicContact CG-CD2 4.2Å; Q329-F331 HydrophobicContact CG-CE1 4.14Å; Q329-F331 HydrophobicContact CG-CE2 3.73Å; Q329-F331 HydrophobicContact CG-CZ 3.68Å; Q329-F331 VanDerWaalsContact NE2-CE1 3.31Å; Q329-F331 VanDerWaalsContact O-CD2 3.28Å; Q329-F331 WeakPolarHBondContact O-CD2 3.36Å; Q329-F331 WeakPolarHBondContact O-CE2 3.46Å
330	D	98.2	Very high	97.3	Very high	115 Å²	115	57 Å²	57	62%	0.615	33%	0.33	S	S	*	.			trans	-82.8	129.7	167.5	-165.1	-24.9	0	0	0	110	Y324 G332	Y324-D330 HydrophobicContact CD2-CB 4.41Å; Y324-D330 VanDerWaalsContact CE2-OD1 3.24Å; Y324-D330 WeakPolarHBondContact CE2-OD1 3.34Å; D330-G332 PolarHBondContact OD1-N 3.05Å
331	F	98	Very high	97.2	Very high	21 Å²	21	60.8 Å²	60.8	9%	0.092	35%	0.352	C	S	.	.			trans	-104	0.8	178.9	-64.1	-95.5	0	0	0	113.6	V172 F238 F323 Y324 Q329 W333	V172-F331 HydrophobicContact CG2-CD1 3.76Å; V172-F331 HydrophobicContact CG2-CE1 3.41Å; V172-F331 VanDerWaalsContact CG2-CE1 3.41Å; V172-F331 HydrophobicContact CG2-CE2 4.38Å; V172-F331 HydrophobicContact CG2-CG 4.4Å; V172-F331 HydrophobicContact CG2-CZ 3.77Å; F238-F331 HydrophobicContact CB-CE1 4.45Å; F238-F331 HydrophobicContact CB-CZ 3.67Å; F323-F331 HydrophobicContact CD1-CD2 4.3Å; F323-F331 HydrophobicContact CD1-CE2 4.18Å; F323-F331 HydrophobicContact CE1-CD2 4.02Å; F323-F331 AromaticContact CE1-CE2 3.58Å; F323-F331 HydrophobicContact CE1-CE2 3.58Å; F323-F331 HydrophobicContact CE1-CZ 4.25Å; Y324-F331 AromaticContact CD1-CD2 3.74Å; Y324-F331 HydrophobicContact CD1-CD2 3.74Å; Y324-F331 HydrophobicContact CE1-CB 3.82Å; Y324-F331 AromaticContact CE1-CD2 3.64Å; Y324-F331 HydrophobicContact CE1-CD2 3.64Å; Y324-F331 HydrophobicContact CE1-CG 4.21Å; Q329-F331 HydrophobicContact CB-CE2 3.83Å; Q329-F331 HydrophobicContact CB-CZ 4.05Å; Q329-F331 HydrophobicContact CG-CD2 4.2Å; Q329-F331 HydrophobicContact CG-CE1 4.14Å; Q329-F331 HydrophobicContact CG-CE2 3.73Å; Q329-F331 HydrophobicContact CG-CZ 3.68Å; Q329-F331 VanDerWaalsContact NE2-CE1 3.31Å; Q329-F331 VanDerWaalsContact O-CD2 3.28Å; Q329-F331 WeakPolarHBondContact O-CD2 3.36Å; Q329-F331 WeakPolarHBondContact O-CE2 3.46Å; F331-W333 HydrophobicContact CB-CD2 3.8Å; F331-W333 VanDerWaalsContact CB-CE2 3.45Å; F331-W333 HydrophobicContact CB-CE3 3.99Å; F331-W333 HydrophobicContact CB-CH2 3.5Å; F331-W333 VanDerWaalsContact CB-CH2 3.5Å; F331-W333 HydrophobicContact CB-CZ2 3.33Å; F331-W333 HydrophobicContact CB-CZ3 3.84Å; F331-W333 AromaticContact CD1-CH2 3.92Å; F331-W333 HydrophobicContact CD1-CH2 3.92Å; F331-W333 AromaticContact CD1-CZ2 3.95Å; F331-W333 HydrophobicContact CD1-CZ2 3.95Å; F331-W333 HydrophobicContact CD2-CH2 4.2Å; F331-W333 HydrophobicContact CD2-CZ3 4.38Å; F331-W333 AromaticContact CG-CH2 3.61Å; F331-W333 HydrophobicContact CG-CH2 3.61Å; F331-W333 AromaticContact CG-CZ2 3.81Å; F331-W333 HydrophobicContact CG-CZ2 3.81Å; F331-W333 HydrophobicContact CG-CZ3 4.12Å; F331-W333 VanDerWaalsContact O-CD1 3.28Å; F331-W333 PolarHBondContact O-NE1 3Å; F331-W333 VanDerWaalsContact O-NE1 3.14Å
332	G	97.1	Very high	97.1	Very high	65 Å²	65	54.4 Å²	54.4	67%	0.67	34%	0.338	S	S	*	.	S	Bend	trans	76.1	29.6	171.8	0	0	0	0	0	115	D330	D330-G332 PolarHBondContact OD1-N 3.05Å
333	W	97.3	Very high	97	Very high	22 Å²	22	51.8 Å²	51.8	8%	0.083	34%	0.335	C	S	.	.			trans	-101.5	-4.4	-179	-46.8	-35.7	0	0	0	114.4	V172 N174 Y220 E242 Y324 F331	V172-W333 HydrophobicContact CB-CH2 3.75Å; V172-W333 HydrophobicContact CG2-CH2 3.62Å; V172-W333 HydrophobicContact CG2-CZ2 4.32Å; N174-W333 HydrophobicContact CB-CB 4.42Å; N174-W333 HydrophobicContact CB-CD2 4.13Å; N174-W333 HydrophobicContact CB-CG 3.76Å; Y220-W333 HydrophobicContact CD2-CZ3 4.03Å; Y220-W333 HydrophobicContact CE2-CH2 4.15Å; Y220-W333 AromaticContact CE2-CZ3 3.73Å; Y220-W333 HydrophobicContact CE2-CZ3 3.73Å; E242-W333 PolarHBondContact OE1-NE1 2.85Å; E242-W333 WeakPolarHBondContact OE2-CZ2 2.84Å; E242-W333 PolarHBondContact OE2-NE1 2.92Å; Y324-W333 AromaticContact CE1-CE3 3.98Å; Y324-W333 HydrophobicContact CE1-CE3 3.98Å; Y324-W333 HydrophobicContact CE1-CZ3 4.16Å; Y324-W333 WeakPolarHBondContact OH-CA 3.49Å; Y324-W333 WeakPolarHBondContact OH-CB 3.31Å; Y324-W333 VanDerWaalsContact OH-CE3 3.3Å; Y324-W333 PolarHBondContact OH-N 3.13Å; F331-W333 HydrophobicContact CB-CD2 3.8Å; F331-W333 VanDerWaalsContact CB-CE2 3.45Å; F331-W333 HydrophobicContact CB-CE3 3.99Å; F331-W333 HydrophobicContact CB-CH2 3.5Å; F331-W333 VanDerWaalsContact CB-CH2 3.5Å; F331-W333 HydrophobicContact CB-CZ2 3.33Å; F331-W333 HydrophobicContact CB-CZ3 3.84Å; F331-W333 AromaticContact CD1-CH2 3.92Å; F331-W333 HydrophobicContact CD1-CH2 3.92Å; F331-W333 AromaticContact CD1-CZ2 3.95Å; F331-W333 HydrophobicContact CD1-CZ2 3.95Å; F331-W333 HydrophobicContact CD2-CH2 4.2Å; F331-W333 HydrophobicContact CD2-CZ3 4.38Å; F331-W333 AromaticContact CG-CH2 3.61Å; F331-W333 HydrophobicContact CG-CH2 3.61Å; F331-W333 AromaticContact CG-CZ2 3.81Å; F331-W333 HydrophobicContact CG-CZ2 3.81Å; F331-W333 HydrophobicContact CG-CZ3 4.12Å; F331-W333 VanDerWaalsContact O-CD1 3.28Å; F331-W333 PolarHBondContact O-NE1 3Å; F331-W333 VanDerWaalsContact O-NE1 3.14Å
334	G	84.4	Confident	96.8	Very high	44 Å²	44	56.5 Å²	56.5	45%	0.454	37%	0.365	S	S	.	.			trans	95.4	0	-179.3	0	0	0	0	0	114	N320	N320-G334 WeakPolarHBondContact CB-O 3.3Å; N320-G334 PolarHBondContact ND2-O 3.04Å

Retrieved 334 of 334 residues in 66.6 ms (Link to these results)

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