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Cysteine desulfurase

Cysteine desulfurase, of the core iron-sulfur cluster (ISC) assembly complex, that catalyzes the desulfuration of L-cysteine to L-alanine, as component of the cysteine desulfurase complex leading to the formation of a cysteine persulfide intermediate at the active site cysteine residue and participates in the [2Fe-2S] clusters assembly on the scaffolding protein ISCU. The persulfide is then transferred on the flexible Cys loop from the catalytic site of NFS1 to the surface of NFS1 (By similarity). After the NFS1-linked persulfide sulfur is transferred to one of the conserved Cys residues of the scaffold, a reaction assisted by FXN (By similarity). The core iron-sulfur cluster (ISC) assembly complex is involved in the de novo synthesis of a [2Fe-2S] cluster, the first step of the mitochondrial iron-sulfur protein biogenesis. This process is initiated by the cysteine desulfurase complex (NFS1:LYRM4:NDUFAB1) that produces persulfide which is delivered on the scaffold protein ISCU in a FXN-dependent manner. Then this complex is stabilized by FDX2 which provides reducing equivalents to accomplish the [2Fe-2S] cluster assembly. Finally, the [2Fe-2S] cluster is transferred from ISCU to chaperone proteins, including HSCB, HSPA9 and GLRX5 (By similarity). May catalyze the desulfuration of L-cysteine to L-alanine as component of the cysteine desulfurase complex (NFS1:LYRM4), leading to the formation of a cysteine persulfide intermediate. Acts as a sulfur donor for MOCS3 by transferring the sulfur of the cysteine persulfide intermediate on MOCS3.

AlphaFold DB , UniProt , Accession Q99P39, Species RAT (Rattus norvegicus, Rat), Gene Nfs1, Length 451 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	35.9	Very low	234 Å²	234	179.1 Å²	179.1	100%	1.153	88%	0.878	S	S	*	*				0	103.3	0	-158.9	167.9	179.2	0	0	106.7
2	L	34	Very low	35.4	Very low	154 Å²	154	178.3 Å²	178.3	81%	0.806	88%	0.879	S	S	*	*			trans	38.7	121.6	157.3	-66.2	156	0	0	0	117.8
3	L	36.6	Very low	35.2	Very low	147 Å²	147	172.4 Å²	172.4	77%	0.77	88%	0.876	S	S	*	*			cis	-164.8	136.8	41.1	-95.1	123.2	0	0	0	111.1
4	R	30.6	Very low	35.4	Very low	247 Å²	247	166.9 Å²	166.9	93%	0.932	87%	0.87	S	S	*	*			trans	-84.2	140	151.7	-79.3	178.1	170.3	-166	-2.8	108.1
5	V	44.8	Very low	35.5	Very low	133 Å²	133	165.2 Å²	165.2	81%	0.806	87%	0.87	S	S	*	*			trans	-113.8	130.5	161.6	176.4	0	0	0	0	108.8
6	A	35.4	Very low	35.2	Very low	86 Å²	86	161.6 Å²	161.6	71%	0.711	86%	0.863	S	S	*	*			trans	-101.6	147.8	-170.4	0	0	0	0	0	111.1
7	W	36.2	Very low	35.4	Very low	257 Å²	257	160.2 Å²	160.2	97%	0.973	86%	0.861	S	S	*	*			trans	-134.9	96.3	155.1	-95.2	68.3	0	0	0	109.6
8	R	29.3	Very low	35.3	Very low	243 Å²	243	156.3 Å²	156.3	92%	0.917	86%	0.855	S	S	*	*			trans	-156.9	107.1	158.5	-100.3	-170	-178	-126.9	0.1	108.1
9	R	34.6	Very low	35.4	Very low	256 Å²	256	156.3 Å²	156.3	97%	0.966	85%	0.853	S	S	*	*			trans	-170.6	115.3	153.2	-109.3	178.4	-177	-161	0.6	110.7
10	A	41.5	Very low	35.4	Very low	110 Å²	110	160.4 Å²	160.4	91%	0.909	86%	0.855	S	S	*	*			trans	-150.5	120.5	141	0	0	0	0	0	107.6
11	S	35.2	Very low	35.2	Very low	103 Å²	103	164.9 Å²	164.9	72%	0.72	86%	0.86	S	S	*	*			trans	-95.1	141.1	-169.4	55.2	0	0	0	0	113.1
12	L	30.6	Very low	35.3	Very low	169 Å²	169	159.3 Å²	159.3	89%	0.885	84%	0.844	S	S	*	*				33.5	116.8	126.3	-76.8	147.9	0	0	0	118.5
13	A	32.8	Very low	35.2	Very low	102 Å²	102	157.5 Å²	157.5	84%	0.843	84%	0.844	S	S	*	*				162.4	114.4	113.2	0	0	0	0	0	110.9
14	A	38	Very low	35.6	Very low	95 Å²	95	156.4 Å²	156.4	79%	0.785	84%	0.844	S	S	*	*			trans	-162.6	94.2	154.8	0	0	0	0	0	110.6
15	T	36.3	Very low	35.8	Very low	142 Å²	142	150.6 Å²	150.6	87%	0.871	84%	0.838	S	S	*	*			trans	23.4	134.5	139	13.3	0	0	0	0	122.5
16	S	30.8	Very low	35.6	Very low	108 Å²	108	150.7 Å²	150.7	76%	0.755	84%	0.839	S	S	*	*			trans	-53.8	139.7	174.3	55.3	0	0	0	0	117.1
17	V	39.1	Very low	35.5	Very low	137 Å²	137	159 Å²	159	83%	0.83	85%	0.852	S	S	*	*			trans	-142.9	124.8	139.5	177.5	0	0	0	0	109	L19	V17-L19 HydrophobicContact CG1-CD1 4.48Å
18	A	33	Very low	35.4	Very low	91 Å²	91	149.9 Å²	149.9	75%	0.752	84%	0.838	S	S	*	*			trans	-77.7	137.2	177.6	0	0	0	0	0	111.6
19	L	37.4	Very low	35.4	Very low	156 Å²	156	146.5 Å²	146.5	82%	0.817	84%	0.837	S	S	*	*			trans	-148.3	105.4	159.6	-102.9	130.3	0	0	0	112.2	V17	V17-L19 HydrophobicContact CG1-CD1 4.48Å
20	R	34.7	Very low	35.2	Very low	238 Å²	238	145.7 Å²	145.7	90%	0.898	83%	0.834	S	S	*	*			trans	29	116.5	145	-67.3	-178.6	175.4	-143.6	-2	119.2
21	R	30.9	Very low	34.7	Very low	255 Å²	255	147.7 Å²	147.7	96%	0.962	83%	0.829	S	S	*	*			trans	-62.9	131.6	160.4	-69.3	175.7	170.7	-179.9	-3.5	111
22	S	38.7	Very low	34.4	Very low	116 Å²	116	153.5 Å²	153.5	81%	0.811	84%	0.835	S	S	*	*			trans	-130.8	129.4	150.3	57.6	0	0	0	0	108.9
23	S	33.5	Very low	34.6	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	83%	0.825	S	S	*	*			trans	-82.8	133.1	-176.2	48.3	0	0	0	0	111.4
24	V	43.4	Very low	34.6	Very low	124 Å²	124	151.3 Å²	151.3	75%	0.752	82%	0.817	S	S	*	*			trans	-134.8	126.2	159.2	-178.4	0	0	0	0	108.2
25	P	35.1	Very low	34.5	Very low	124 Å²	124	153.6 Å²	153.6	81%	0.805	82%	0.817	S	S	*	*			trans	-88.8	120.1	-179.8	33.5	-27.5	0	0	0	109.5
26	T	40.3	Very low	34.4	Very low	136 Å²	136	155.7 Å²	155.7	83%	0.834	82%	0.816	S	S	*	*			trans	-114.1	109.7	165.9	33.9	0	0	0	0	109.7	G28	T26-G28 PolarHBondContact O-N 3.44Å
27	R	33.5	Very low	34.8	Very low	259 Å²	259	154.7 Å²	154.7	98%	0.977	81%	0.814	S	S	*	*			trans	-57.8	123	167.2	-82	173.6	164.8	177.7	-5.2	108.7
28	G	35.1	Very low	34.8	Very low	67 Å²	67	153.7 Å²	153.7	69%	0.691	81%	0.81	S	S	*	*			trans	-149.3	113.8	169.7	0	0	0	0	0	109.4	T26 R30	T26-G28 PolarHBondContact O-N 3.44Å; G28-R30 PolarHBondContact O-N 2.91Å
29	L	30	Very low	34.9	Very low	172 Å²	172	159 Å²	159	90%	0.901	82%	0.82	S	S	*	*			trans	-42	121	-179	-113.4	71.3	0	0	0	112.6
30	R	29	Very low	35	Very low	239 Å²	239	156.8 Å²	156.8	90%	0.902	82%	0.817	S	S	*	*			trans	-97.9	105.1	160	-81.8	-171.5	-177.2	-172.1	1.3	108.8	G28 R32	G28-R30 PolarHBondContact O-N 2.91Å; R30-R32 PolarHBondContact O-N 2.62Å
31	L	31.3	Very low	35.3	Very low	152 Å²	152	150.1 Å²	150.1	80%	0.796	81%	0.812	S	S	*	*			trans	-65.9	112.2	159.4	-96.7	142.1	0	0	0	108	V33	L31-V33 PolarHBondContact O-N 3.17Å
32	R	28.6	Very low	35.8	Very low	225 Å²	225	144.1 Å²	144.1	85%	0.849	80%	0.804	S	S	*	*			trans	-77.5	110.2	162.2	-80.5	-175.1	-178.4	-177	0.5	107	R30	R30-R32 PolarHBondContact O-N 2.62Å
33	V	34.4	Very low	35.9	Very low	113 Å²	113	143.9 Å²	143.9	69%	0.685	80%	0.8	S	S	*	*			trans	-85.2	115.4	158.3	-178.7	0	0	0	0	106.2	L31	L31-V33 PolarHBondContact O-N 3.17Å
34	V	32.7	Very low	36.2	Very low	111 Å²	111	143.6 Å²	143.6	67%	0.673	80%	0.798	S	S	*	*			trans	-93.5	98.9	173.1	-178.1	0	0	0	0	105.5	H36	V34-H36 PolarHBondContact O-N 3.44Å
35	D	36.3	Very low	36.2	Very low	144 Å²	144	147 Å²	147	77%	0.77	81%	0.805	S	S	*	*			trans	-89	98.3	170.5	-79.1	-30.7	0	0	0	109.2	A37	D35-A37 PolarHBondContact O-N 3.34Å
36	H	34.5	Very low	36.7	Very low	186 Å²	186	145.3 Å²	145.3	86%	0.861	80%	0.802	S	S	*	*			trans	-78.1	102.2	153.4	-87.7	-17.5	0	0	0	108.1	V34	V34-H36 PolarHBondContact O-N 3.44Å
37	A	40.4	Very low	37.2	Very low	86 Å²	86	147.3 Å²	147.3	71%	0.711	80%	0.802	S	S	*	*			trans	-116.7	127.3	160.7	0	0	0	0	0	108.7	D35	D35-A37 PolarHBondContact O-N 3.34Å
38	P	37.7	Very low	38	Very low	116 Å²	116	139 Å²	139	75%	0.753	79%	0.788	S	S	*	*			trans	-73.9	149.3	-176.4	30.9	-31.5	0	0	0	110.6	S40	P38-S40 PolarHBondContact O-N 3.27Å
39	H	36.2	Very low	39.6	Very low	204 Å²	204	142.4 Å²	142.4	94%	0.944	80%	0.796	S	S	*	*			trans	-45.6	107.3	170.4	-71.3	-78.9	0	0	0	111.8
40	S	37.9	Very low	42.2	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	79%	0.79	S	S	*	*			trans	-112	127.1	162.6	62.4	0	0	0	0	108.7	P38	P38-S40 PolarHBondContact O-N 3.27Å
41	A	41.4	Very low	45.3	Very low	98 Å²	98	140.6 Å²	140.6	81%	0.81	79%	0.787	S	S	*	*			trans	-42.3	129.8	-171.3	0	0	0	0	0	114.6
42	V	41.8	Very low	48.4	Very low	130 Å²	130	136.8 Å²	136.8	79%	0.788	77%	0.771	S	S	*	*			trans	-65.7	126.3	166.2	179.3	0	0	0	0	107.8	S44	V42-S44 PolarHBondContact O-N 2.95Å; V42-S44 VanDerWaalsContact O-N 3.1Å
43	P	41.2	Very low	51.6	Low	111 Å²	111	127.9 Å²	127.9	72%	0.721	74%	0.741	S	S	*	*			trans	-62.9	114.3	168.4	-14.7	28.2	0	0	0	108.6
44	S	39.8	Very low	54.7	Low	111 Å²	111	126.5 Å²	126.5	78%	0.776	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	128.4	168.9	51.3	0	0	0	0	109.4	V42	V42-S44 PolarHBondContact O-N 2.95Å; V42-S44 VanDerWaalsContact O-N 3.1Å
45	E	42.3	Very low	57.8	Low	195 Å²	195	121.2 Å²	121.2	91%	0.911	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.5	63.3	176.6	-62.5	-177.3	172.1	0	0	115.8	E47	E45-E47 PolarHBondContact O-N 3.1Å
46	A	47.4	Very low	60.6	Low	88 Å²	88	115.5 Å²	115.5	73%	0.727	66%	0.661	S	S	*	*			trans	-63.9	104.6	151.2	0	0	0	0	0	107.5	A48	A46-A48 PolarHBondContact O-N 3.28Å
47	E	48.8	Very low	63.6	Low	178 Å²	178	107.2 Å²	107.2	83%	0.832	62%	0.624	S	S	*	*			trans	-40.5	120.2	160.9	-89.4	-175.4	147.4	0	0	106.8	E45 V49	E45-E47 PolarHBondContact O-N 3.1Å; E47-V49 VanDerWaalsContact C-N 3.3Å; E47-V49 WeakPolarHBondContact O-CG2 3.33Å; E47-V49 PolarHBondContact O-N 2.9Å
48	A	52	Low	66.3	Low	85 Å²	85	103.3 Å²	103.3	70%	0.702	59%	0.59	S	S	*	*			trans	-58.6	99.5	-178.9	0	0	0	0	0	107.5	A46 L50	A46-A48 PolarHBondContact O-N 3.28Å; A48-L50 VanDerWaalsContact C-N 3.29Å; A48-L50 PolarHBondContact O-N 3.07Å
49	V	67	Low	69	Low	139 Å²	139	99.5 Å²	99.5	84%	0.842	57%	0.569	S	S	*	*			trans	-63.2	96.8	-179.6	-180	0	0	0	0	106.3	E47	E47-V49 VanDerWaalsContact C-N 3.3Å; E47-V49 WeakPolarHBondContact O-CG2 3.33Å; E47-V49 PolarHBondContact O-N 2.9Å
50	L	86.5	Confident	71.9	Confident	151 Å²	151	91 Å²	91	79%	0.791	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-64.5	139.1	177.9	-64.3	179.2	0	0	0	108.1	A48	A48-L50 VanDerWaalsContact C-N 3.29Å; A48-L50 PolarHBondContact O-N 3.07Å
51	R	93.3	Very high	74.8	Confident	222 Å²	222	86 Å²	86	84%	0.838	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-72.9	144.1	178.7	-66.8	175.6	57.5	77.5	4.7	109.7
52	P	95.6	Very high	77.5	Confident	71 Å²	71	84.1 Å²	84.1	46%	0.461	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-66.9	153.9	175.6	29.2	-35.5	0	0	0	111.3	D366	P52-D366 CarbonylContact C-O 3.6Å; P52-D366 VanDerWaalsContact CA-O 3.24Å; P52-D366 WeakPolarHBondContact CA-O 3.39Å; P52-D366 WeakPolarHBondContact CB-O 3.48Å
53	L	97.4	Very high	80.2	Confident	39 Å²	39	80.9 Å²	80.9	20%	0.204	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	146.2	170.8	-55.5	-174.3	0	0	0	110.1	D366 V367 A368 E412 Y415	L53-D366 PolarHBondContact N-O 3.02Å; L53-V367 HydrophobicContact CB-CG1 4.38Å; L53-A368 WeakPolarHBondContact O-CB 3.31Å; L53-A368 PolarHBondContact O-N 3.21Å; L53-E412 HydrophobicContact CD1-CB 4.01Å; L53-E412 HydrophobicContact CD1-CG 4.13Å; L53-E412 HydrophobicContact CD2-CG 4Å; L53-Y415 HydrophobicContact CD1-CD1 3.57Å; L53-Y415 HydrophobicContact CD1-CE1 4.34Å; L53-Y415 HydrophobicContact CD1-CG 4.11Å; L53-Y415 HydrophobicContact CG-CD1 4.48Å
54	Y	97.7	Very high	83	Confident	83 Å²	83	75.8 Å²	75.8	33%	0.325	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	99.5	-178	-166.2	-104.4	0	0	0	112.3	D56 V57 T60 A368	Y54-D56 HydrophobicContact CE2-CB 4.11Å; Y54-D56 PolarHBondContact OH-O 3.29Å; Y54-D56 VanDerWaalsContact OH-O 3.08Å; Y54-V57 HydrophobicContact CD1-CG1 4.01Å; Y54-V57 HydrophobicContact CE1-CG1 3.96Å; Y54-T60 VanDerWaalsContact CE1-O 3.24Å; Y54-T60 WeakPolarHBondContact CE1-O 3.49Å; Y54-T60 WeakPolarHBondContact OH-CG2 3.25Å; Y54-T60 PolarHBondContact OH-O 3.13Å; Y54-A368 HydrophobicContact CD2-CB 3.98Å; Y54-A368 HydrophobicContact CE2-CB 4.46Å
55	M	97.7	Very high	85.8	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	41%	0.411	C	S	.	.			trans	-114.5	32.7	179.6	-63.6	-67.5	-74.3	0	0	111.5	L323 V367 A368 L369 G403 I404 T408 V413	M55-L323 HydrophobicContact CE-CD1 3.91Å; M55-V367 HydrophobicContact CB-CG1 3.9Å; M55-V367 HydrophobicContact CG-CG1 3.61Å; M55-A368 CarbonylContact C-O 3.51Å; M55-A368 VanDerWaalsContact C-O 3.28Å; M55-A368 WeakPolarHBondContact CA-O 3.23Å; M55-A368 PolarHBondContact N-O 3.35Å; M55-L369 HydrophobicContact CB-CD2 3.52Å; M55-L369 HydrophobicContact CB-CG 4.35Å; M55-G403 CarbonylContact C-O 3.38Å; M55-G403 WeakPolarHBondContact CA-O 3.49Å; M55-G403 WeakPolarHBondContact O-CA 3.46Å; M55-G403 PolarHBondContact O-N 2.92Å; M55-I404 HydrophobicContact CE-CG1 3.89Å; M55-T408 HydrophobicContact CE-CG2 4.3Å; M55-T408 HydrophobicContact SD-CG2 3.63Å; M55-V413 HydrophobicContact CE-CG2 4.41Å
56	D	97.1	Very high	88.5	Confident	25 Å²	25	70.4 Å²	70.4	13%	0.134	39%	0.387	C	S	.	.			trans	-127.1	35.6	-176.9	-169	31.3	0	0	0	113.2	Y54 R58 A59 T60 A368 S370 R401	Y54-D56 HydrophobicContact CE2-CB 4.11Å; Y54-D56 PolarHBondContact OH-O 3.29Å; Y54-D56 VanDerWaalsContact OH-O 3.08Å; D56-R58 PolarHBondContact O-N 3.36Å; D56-A59 WeakPolarHBondContact O-CB 3.37Å; D56-A59 PolarHBondContact O-N 3.49Å; D56-A59 WeakPolarHBondContact OD2-CB 3.35Å; D56-T60 PolarHBondContact O-N 3.35Å; D56-A368 PolarHBondContact N-O 3.21Å; D56-S370 WeakPolarHBondContact OD1-CB 3.28Å; D56-R401 IonicContact OD1-CZ 3.19Å; D56-R401 IonicContact OD1-NE 3.97Å; D56-R401 IonicContact OD1-NH2 3.09Å; D56-R401 PolarHBondContact OD1-NH2 3.03Å
57	V	97.5	Very high	90.9	Very high	12 Å²	12	66.2 Å²	66.2	7%	0.073	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12	-177.1	-63.9	0	0	0	0	115	Y54 T60 T61	Y54-V57 HydrophobicContact CD1-CG1 4.01Å; Y54-V57 HydrophobicContact CE1-CG1 3.96Å; V57-T60 WeakPolarHBondContact CA-O 3.25Å; V57-T60 CarbonylContact O-C 3.6Å; V57-T61 HydrophobicContact CB-CG2 4.16Å
58	R	95.6	Very high	93.3	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.011	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-26.3	175.8	-55.4	-60.6	-72.3	-177.4	-13.7	112.2	D56 V199 N200 Q229 K252 C347	D56-R58 PolarHBondContact O-N 3.36Å; R58-V199 VanDerWaalsContact NH2-CG1 3.26Å; R58-N200 PolarHBondContact NH2-O 3.14Å; R58-Q229 VanDerWaalsContact CZ-CD 3.41Å; R58-Q229 PolarHBondContact NH1-O 3.33Å; R58-Q229 VanDerWaalsContact NH2-CB 3.32Å; R58-Q229 PolarHBondContact O-NE2 2.96Å; R58-K252 WeakPolarHBondContact O-CE 3.35Å; R58-K252 PolarHBondContact O-NZ 3.42Å; R58-C347 HydrophobicContact CG-CB 4.14Å; R58-C347 PolarHBondContact NE-SG 2.88Å; R58-C347 VanDerWaalsContact NE-SG 3.36Å
59	A	94.7	Very high	95.5	Very high	37 Å²	37	63.2 Å²	63.2	31%	0.306	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-49.6	169.2	0	0	0	0	0	110.9	D56 H251 K252	D56-A59 WeakPolarHBondContact O-CB 3.37Å; D56-A59 PolarHBondContact O-N 3.49Å; D56-A59 WeakPolarHBondContact OD2-CB 3.35Å; A59-H251 PolarHBondContact O-CE1 3.01Å; A59-H251 VanDerWaalsContact O-CE1 3.3Å; A59-K252 WeakPolarHBondContact O-CE 3.41Å
60	T	97.9	Very high	97	Very high	24 Å²	24	58.1 Å²	58.1	15%	0.147	30%	0.302	C	S	.	.			trans	-162.1	151.8	169.8	-172.5	0	0	0	0	110.8	Y54 D56 V57 H251 K257	Y54-T60 VanDerWaalsContact CE1-O 3.24Å; Y54-T60 WeakPolarHBondContact CE1-O 3.49Å; Y54-T60 WeakPolarHBondContact OH-CG2 3.25Å; Y54-T60 PolarHBondContact OH-O 3.13Å; D56-T60 PolarHBondContact O-N 3.35Å; V57-T60 WeakPolarHBondContact CA-O 3.25Å; V57-T60 CarbonylContact O-C 3.6Å; T60-H251 WeakPolarHBondContact CB-ND1 3.4Å; T60-H251 PolarHBondContact OG1-ND1 2.85Å; T60-H251 PolarHBondContact OG1-O 2.93Å; T60-K257 WeakPolarHBondContact OG1-CE 3.48Å; T60-K257 PolarHBondContact OG1-NZ 3.31Å
61	T	98.5	Very high	97.6	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.031	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-93.1	156.2	169.8	55.1	0	0	0	0	111.2	V57 H251 Y254	V57-T61 HydrophobicContact CB-CG2 4.16Å; T61-H251 PolarHBondContact N-O 2.98Å; T61-H251 PolarHBondContact OG1-O 3.46Å; T61-Y254 HydrophobicContact CG2-CD1 3.95Å; T61-Y254 HydrophobicContact CG2-CE1 3.68Å; T61-Y254 HydrophobicContact CG2-CG 4.44Å; T61-Y254 VanDerWaalsContact OG1-CA 3.23Å; T61-Y254 WeakPolarHBondContact OG1-CA 3.43Å; T61-Y254 PolarHBondContact OG1-N 2.78Å
62	P	98.3	Very high	97.9	Very high	58 Å²	58	44.5 Å²	44.5	38%	0.377	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-63.2	158.4	159.9	30.8	-35.9	0	0	0	109.9	Y254 F407	P62-Y254 HydrophobicContact CG-CD1 4.32Å; P62-Y254 WeakPolarHBondContact O-CA 3.49Å; P62-Y254 WeakPolarHBondContact O-CD1 3.05Å; P62-F407 HydrophobicContact CG-CD2 3.62Å; P62-F407 HydrophobicContact CG-CE2 3.95Å
63	L	98.6	Very high	98	Very high	61 Å²	61	43.4 Å²	43.4	32%	0.319	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-79	129.6	176.5	-162.8	146.4	0	0	0	108.8	V67 L68 M71 Y254 P256	L63-V67 HydrophobicContact CD2-CB 3.95Å; L63-V67 HydrophobicContact CD2-CG1 4.05Å; L63-V67 HydrophobicContact CG-CB 4.44Å; L63-V67 HydrophobicContact CG-CG1 4.25Å; L63-L68 VanDerWaalsContact CD2-CA 3.49Å; L63-L68 HydrophobicContact CD2-CB 3.45Å; L63-L68 VanDerWaalsContact CD2-CB 3.45Å; L63-L68 HydrophobicContact CD2-CD1 4.27Å; L63-L68 HydrophobicContact CD2-CG 4.37Å; L63-M71 HydrophobicContact CD1-SD 4.06Å; L63-Y254 WeakPolarHBondContact CA-O 3.32Å; L63-P256 HydrophobicContact CD1-CB 3.95Å
64	D	98.7	Very high	98.1	Very high	4 Å²	4	43 Å²	43	2%	0.021	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-66.4	129.5	177.5	-173	-54	0	0	0	108.6	R66 V67 L68 Y254 L304 R406 F407	D64-R66 PolarHBondContact O-N 2.97Å; D64-R66 WeakPolarHBondContact OD1-CB 3.39Å; D64-R66 IonicContact OD1-CZ 3.87Å; D64-R66 PolarHBondContact OD1-N 2.94Å; D64-R66 IonicContact OD1-NE 3.49Å; D64-R66 PolarHBondContact OD1-NE 3.09Å; D64-R66 IonicContact OD1-NH2 3.78Å; D64-R66 IonicContact OD2-CZ 3.21Å; D64-R66 IonicContact OD2-NE 2.66Å; D64-R66 IonicContact OD2-NH2 2.84Å; D64-R66 PolarHBondContact OD2-NH2 3.26Å; D64-V67 HydrophobicContact CB-CB 4.38Å; D64-V67 HydrophobicContact CB-CG2 3.92Å; D64-V67 WeakPolarHBondContact O-CA 3.48Å; D64-V67 VanDerWaalsContact O-CB 3.26Å; D64-V67 WeakPolarHBondContact O-CB 3.42Å; D64-V67 PolarHBondContact O-N 3.45Å; D64-L68 PolarHBondContact O-N 3.24Å; D64-L68 VanDerWaalsContact O-N 3.13Å; D64-Y254 PolarHBondContact N-O 3.27Å; D64-L304 HydrophobicContact CB-CD1 4.5Å; D64-R406 IonicContact OD2-CZ 3.81Å; D64-R406 IonicContact OD2-NH1 2.74Å; D64-R406 PolarHBondContact OD2-NH1 2.66Å; D64-F407 HydrophobicContact CB-CZ 4.44Å
65	P	98.6	Very high	98.1	Very high	90 Å²	90	43.8 Å²	43.8	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-52.1	-32.8	-177.7	-29.1	35.7	0	0	0	114.2	V67 L68 D69	P65-V67 VanDerWaalsContact C-N 3.32Å; P65-V67 PolarHBondContact O-N 3.29Å; P65-L68 WeakPolarHBondContact O-CB 3.44Å; P65-L68 PolarHBondContact O-N 3.16Å; P65-D69 PolarHBondContact O-N 3.13Å
66	R	98.7	Very high	98.1	Very high	104 Å²	104	48.2 Å²	48.2	39%	0.392	27%	0.271	S	S	.	.	H	α-helix	trans	-67	-33.1	175.9	-64.7	171.1	-69.9	-174.5	-1.1	112.3	D64 A70 L304 E308	D64-R66 PolarHBondContact O-N 2.97Å; D64-R66 WeakPolarHBondContact OD1-CB 3.39Å; D64-R66 IonicContact OD1-CZ 3.87Å; D64-R66 PolarHBondContact OD1-N 2.94Å; D64-R66 IonicContact OD1-NE 3.49Å; D64-R66 PolarHBondContact OD1-NE 3.09Å; D64-R66 IonicContact OD1-NH2 3.78Å; D64-R66 IonicContact OD2-CZ 3.21Å; D64-R66 IonicContact OD2-NE 2.66Å; D64-R66 IonicContact OD2-NH2 2.84Å; D64-R66 PolarHBondContact OD2-NH2 3.26Å; R66-A70 PolarHBondContact O-N 3.44Å; R66-L304 HydrophobicContact CB-CD1 3.65Å; R66-L304 HydrophobicContact CB-CD2 4.42Å; R66-E308 IonicContact CZ-OE1 3.5Å; R66-E308 IonicContact NH1-OE1 3.05Å; R66-E308 PolarHBondContact NH1-OE1 2.87Å; R66-E308 IonicContact NH2-OE1 2.76Å; R66-E308 PolarHBondContact NH2-OE1 3.01Å
67	V	98.9	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-41.3	172.5	176.6	0	0	0	0	110.4	L63 D64 P65 D69 A70 M71 G297 A300 A301 L304	L63-V67 HydrophobicContact CD2-CB 3.95Å; L63-V67 HydrophobicContact CD2-CG1 4.05Å; L63-V67 HydrophobicContact CG-CB 4.44Å; L63-V67 HydrophobicContact CG-CG1 4.25Å; D64-V67 HydrophobicContact CB-CB 4.38Å; D64-V67 HydrophobicContact CB-CG2 3.92Å; D64-V67 WeakPolarHBondContact O-CA 3.48Å; D64-V67 VanDerWaalsContact O-CB 3.26Å; D64-V67 WeakPolarHBondContact O-CB 3.42Å; D64-V67 PolarHBondContact O-N 3.45Å; P65-V67 VanDerWaalsContact C-N 3.32Å; P65-V67 PolarHBondContact O-N 3.29Å; V67-D69 VanDerWaalsContact C-N 3.33Å; V67-D69 PolarHBondContact O-N 3.4Å; V67-A70 PolarHBondContact O-N 3.41Å; V67-M71 HydrophobicContact CG1-CG 4.44Å; V67-M71 HydrophobicContact CG1-SD 4.01Å; V67-M71 VanDerWaalsContact O-CG 3.27Å; V67-M71 WeakPolarHBondContact O-CG 3.46Å; V67-M71 PolarHBondContact O-N 3.07Å; V67-M71 VanDerWaalsContact O-N 3.11Å; V67-G297 VanDerWaalsContact CG1-O 3.25Å; V67-G297 WeakPolarHBondContact CG1-O 3.22Å; V67-A300 HydrophobicContact CG2-CB 4.27Å; V67-A301 HydrophobicContact CG2-CB 3.89Å; V67-L304 HydrophobicContact CG2-CD1 3.75Å
68	L	98.7	Very high	98.1	Very high	81 Å²	81	56.6 Å²	56.6	42%	0.424	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-47.1	179	-173.7	54.2	0	0	0	110.6	L63 D64 P65 A70 M71 L72	L63-L68 VanDerWaalsContact CD2-CA 3.49Å; L63-L68 HydrophobicContact CD2-CB 3.45Å; L63-L68 VanDerWaalsContact CD2-CB 3.45Å; L63-L68 HydrophobicContact CD2-CD1 4.27Å; L63-L68 HydrophobicContact CD2-CG 4.37Å; D64-L68 PolarHBondContact O-N 3.24Å; D64-L68 VanDerWaalsContact O-N 3.13Å; P65-L68 WeakPolarHBondContact O-CB 3.44Å; P65-L68 PolarHBondContact O-N 3.16Å; L68-A70 VanDerWaalsContact C-N 3.28Å; L68-A70 PolarHBondContact O-N 3.06Å; L68-M71 WeakPolarHBondContact O-CB 3.48Å; L68-M71 PolarHBondContact O-N 2.9Å; L68-L72 HydrophobicContact CD1-CG 4.3Å; L68-L72 HydrophobicContact CG-CD1 4.16Å; L68-L72 HydrophobicContact CG-CG 4.29Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 3.34Å
69	D	98.7	Very high	98.2	Very high	118 Å²	118	63.7 Å²	63.7	63%	0.631	34%	0.336	S	S	*	.	H	α-helix	trans	-58.4	-41.4	179.2	-164.5	55.6	0	0	0	111.6	P65 V67 M71 P73	P65-D69 PolarHBondContact O-N 3.13Å; V67-D69 VanDerWaalsContact C-N 3.33Å; V67-D69 PolarHBondContact O-N 3.4Å; D69-M71 VanDerWaalsContact C-N 3.31Å; D69-M71 PolarHBondContact O-N 2.97Å; D69-P73 WeakPolarHBondContact O-CD 3.24Å
70	A	98.8	Very high	98.4	Very high	32 Å²	32	62.4 Å²	62.4	26%	0.264	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-32.8	174.6	0	0	0	0	0	113.4	R66 V67 L68 Y74 V296 A300	R66-A70 PolarHBondContact O-N 3.44Å; V67-A70 PolarHBondContact O-N 3.41Å; L68-A70 VanDerWaalsContact C-N 3.28Å; L68-A70 PolarHBondContact O-N 3.06Å; A70-Y74 WeakPolarHBondContact O-CD2 3.35Å; A70-Y74 WeakPolarHBondContact O-CE2 3.41Å; A70-V296 HydrophobicContact CB-CG1 4.23Å; A70-V296 VanDerWaalsContact O-CG1 3.3Å; A70-V296 WeakPolarHBondContact O-CG1 3.32Å; A70-A300 HydrophobicContact CB-CB 3.84Å
71	M	98.8	Very high	98.4	Very high	11 Å²	11	64.2 Å²	64.2	5%	0.054	34%	0.335	C	S	.	.	H	α-helix	trans	-79.2	-38.3	-178.3	-67.2	175.5	63	0	0	113.3	L63 V67 L68 D69 P73 Y74 L75 P256 P293 L294 G297	L63-M71 HydrophobicContact CD1-SD 4.06Å; V67-M71 HydrophobicContact CG1-CG 4.44Å; V67-M71 HydrophobicContact CG1-SD 4.01Å; V67-M71 VanDerWaalsContact O-CG 3.27Å; V67-M71 WeakPolarHBondContact O-CG 3.46Å; V67-M71 PolarHBondContact O-N 3.07Å; V67-M71 VanDerWaalsContact O-N 3.11Å; L68-M71 WeakPolarHBondContact O-CB 3.48Å; L68-M71 PolarHBondContact O-N 2.9Å; D69-M71 VanDerWaalsContact C-N 3.31Å; D69-M71 PolarHBondContact O-N 2.97Å; M71-P73 VanDerWaalsContact C-CD 3.48Å; M71-Y74 PolarHBondContact O-N 3.26Å; M71-Y74 VanDerWaalsContact O-N 3.08Å; M71-L75 PolarHBondContact O-N 3.08Å; M71-P256 HydrophobicContact CE-CB 3.88Å; M71-P256 HydrophobicContact CE-CG 3.87Å; M71-P256 HydrophobicContact SD-CB 4.08Å; M71-P256 HydrophobicContact SD-CG 3.82Å; M71-P293 WeakPolarHBondContact CG-O 3.43Å; M71-L294 HydrophobicContact CE-CD2 3.93Å; M71-G297 VanDerWaalsContact CG-CA 3.48Å
72	L	98.7	Very high	98.4	Very high	77 Å²	77	64.1 Å²	64.1	40%	0.403	34%	0.335	S	S	.	.	H	α-helix	trans	-53.3	-42.1	-170.1	-79	169.5	0	0	0	114.6	L68 Y74 L75 V76	L68-L72 HydrophobicContact CD1-CG 4.3Å; L68-L72 HydrophobicContact CG-CD1 4.16Å; L68-L72 HydrophobicContact CG-CG 4.29Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 3.34Å; L72-Y74 VanDerWaalsContact C-N 3.25Å; L72-Y74 PolarHBondContact O-N 3.26Å; L72-L75 HydrophobicContact CD2-CD1 4.44Å; L72-L75 PolarHBondContact O-N 3.01Å; L72-L75 VanDerWaalsContact O-N 3.08Å; L72-V76 PolarHBondContact O-N 3.33Å
73	P	98.6	Very high	98.3	Very high	48 Å²	48	64.2 Å²	64.2	31%	0.312	33%	0.33	S	S	.	.	H	α-helix	trans	-57.5	-36	178.2	-27.9	35.9	0	0	0	114.1	D69 M71 L75 V76 N77 Y78	D69-P73 WeakPolarHBondContact O-CD 3.24Å; M71-P73 VanDerWaalsContact C-CD 3.48Å; P73-L75 VanDerWaalsContact C-N 3.32Å; P73-V76 PolarHBondContact O-N 3.46Å; P73-N77 PolarHBondContact O-N 3.11Å; P73-Y78 HydrophobicContact CB-CD2 3.62Å; P73-Y78 HydrophobicContact CB-CE2 3.75Å; P73-Y78 PolarHBondContact O-N 3.06Å
74	Y	98.6	Very high	98.2	Very high	30 Å²	30	62.9 Å²	62.9	12%	0.118	33%	0.326	C	S	.	.	H	α-helix	trans	-80.7	-13.4	-179.2	-56.4	-83.1	0	0	0	113.3	A70 M71 L72 Y78 A96 R99 T292 V296	A70-Y74 WeakPolarHBondContact O-CD2 3.35Å; A70-Y74 WeakPolarHBondContact O-CE2 3.41Å; M71-Y74 PolarHBondContact O-N 3.26Å; M71-Y74 VanDerWaalsContact O-N 3.08Å; L72-Y74 VanDerWaalsContact C-N 3.25Å; L72-Y74 PolarHBondContact O-N 3.26Å; Y74-Y78 HydrophobicContact CD1-CD2 4.23Å; Y74-Y78 HydrophobicContact CD1-CG 4.37Å; Y74-Y78 HydrophobicContact CE1-CD2 4.05Å; Y74-Y78 HydrophobicContact CE1-CG 4.37Å; Y74-A96 HydrophobicContact CD1-CB 4.07Å; Y74-A96 HydrophobicContact CE1-CB 3.19Å; Y74-A96 HydrophobicContact CE2-CB 4.48Å; Y74-A96 VanDerWaalsContact CZ-CB 3.43Å; Y74-A96 WeakPolarHBondContact OH-CB 3.14Å; Y74-R99 PolarHBondContact OH-NH2 2.91Å; Y74-T292 HydrophobicContact CD1-CG2 3.91Å; Y74-T292 HydrophobicContact CE1-CG2 4.49Å; Y74-T292 HydrophobicContact CG-CG2 4.39Å; Y74-V296 HydrophobicContact CD2-CB 4.21Å; Y74-V296 HydrophobicContact CD2-CG1 3.89Å; Y74-V296 HydrophobicContact CD2-CG2 3.92Å; Y74-V296 HydrophobicContact CE1-CG2 4.46Å; Y74-V296 HydrophobicContact CE2-CB 4.29Å; Y74-V296 HydrophobicContact CE2-CG1 3.71Å; Y74-V296 HydrophobicContact CE2-CG2 3.81Å; Y74-V296 HydrophobicContact CG-CG2 4.29Å
75	L	98.1	Very high	98.1	Very high	100 Å²	100	72.5 Å²	72.5	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-86.3	-18.8	171.5	-67.1	170.2	0	0	0	112.6	M71 L72 P73 P293	M71-L75 PolarHBondContact O-N 3.08Å; L72-L75 HydrophobicContact CD2-CD1 4.44Å; L72-L75 PolarHBondContact O-N 3.01Å; L72-L75 VanDerWaalsContact O-N 3.08Å; P73-L75 VanDerWaalsContact C-N 3.32Å; L75-P293 HydrophobicContact CD2-CB 3.66Å; L75-P293 HydrophobicContact CD2-CG 3.73Å; L75-P293 HydrophobicContact CG-CB 3.94Å; L75-P293 HydrophobicContact CG-CG 4.23Å
76	V	98.2	Very high	98	Very high	93 Å²	93	74.1 Å²	74.1	56%	0.564	37%	0.37	S	S	*	.	H	α-helix	trans	-116.6	-58.1	-171.9	-176.3	0	0	0	0	112.6	L72 P73 Y79	L72-V76 PolarHBondContact O-N 3.33Å; P73-V76 PolarHBondContact O-N 3.46Å; V76-Y79 WeakPolarHBondContact O-CD1 3.39Å
77	N	97.4	Very high	98	Very high	106 Å²	106	72.5 Å²	72.5	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-36.4	-169.9	-64.5	-56.8	0	0	0	113.2	P73 Y79	P73-N77 PolarHBondContact O-N 3.11Å; N77-Y79 WeakPolarHBondContact O-CD1 3.33Å; N77-Y79 PolarHBondContact O-N 3.31Å
78	Y	97.8	Very high	97.9	Very high	106 Å²	106	74.7 Å²	74.7	42%	0.416	39%	0.385	S	S	.	.			trans	-97.5	53	-179.3	-50.6	-48	0	0	0	111.7	P73 Y74 G80 E92	P73-Y78 HydrophobicContact CB-CD2 3.62Å; P73-Y78 HydrophobicContact CB-CE2 3.75Å; P73-Y78 PolarHBondContact O-N 3.06Å; Y74-Y78 HydrophobicContact CD1-CD2 4.23Å; Y74-Y78 HydrophobicContact CD1-CG 4.37Å; Y74-Y78 HydrophobicContact CE1-CD2 4.05Å; Y74-Y78 HydrophobicContact CE1-CG 4.37Å; Y78-G80 VanDerWaalsContact C-N 3.32Å; Y78-G80 PolarHBondContact O-N 3.46Å; Y78-E92 WeakPolarHBondContact CD1-OE2 3.47Å
79	Y	97.8	Very high	97.9	Very high	153 Å²	153	76.1 Å²	76.1	60%	0.6	39%	0.386	S	S	*	.			trans	-86	6.1	-170.8	56.2	-100.8	0	0	0	114.8	V76 N77 Y89	V76-Y79 WeakPolarHBondContact O-CD1 3.39Å; N77-Y79 WeakPolarHBondContact O-CD1 3.33Å; N77-Y79 PolarHBondContact O-N 3.31Å; Y79-Y89 HydrophobicContact CE1-CE1 4.2Å; Y79-Y89 HydrophobicContact CE2-CD1 4.33Å; Y79-Y89 HydrophobicContact CE2-CE1 4.46Å; Y79-Y89 AromaticContact CZ-CE1 3.88Å
80	G	97.8	Very high	97.9	Very high	10 Å²	10	70.5 Å²	70.5	10%	0.103	36%	0.356	C	S	.	.			trans	-63.5	151.8	-175.4	0	0	0	0	0	113.3	Y78 Y89 S93	Y78-G80 VanDerWaalsContact C-N 3.32Å; Y78-G80 PolarHBondContact O-N 3.46Å; G80-Y89 WeakPolarHBondContact CA-O 3.39Å; G80-S93 WeakPolarHBondContact O-CB 3.34Å; G80-S93 PolarHBondContact O-OG 3.48Å
81	N	98.1	Very high	97.9	Very high	61 Å²	61	75.6 Å²	75.6	33%	0.326	37%	0.368	S	S	.	.			trans	-73.4	124.7	170.9	-175.1	-24.3	0	0	0	109	H83 S84 G90	N81-H83 PolarHBondContact O-N 2.77Å; N81-H83 WeakPolarHBondContact OD1-CB 3.36Å; N81-H83 PolarHBondContact OD1-CD2 3.05Å; N81-H83 PolarHBondContact OD1-N 2.97Å; N81-S84 VanDerWaalsContact O-CB 3.32Å; N81-S84 WeakPolarHBondContact O-CB 3.38Å; N81-S84 PolarHBondContact O-N 3.22Å; N81-G90 WeakPolarHBondContact O-CA 3.42Å
82	P	97.6	Very high	97.8	Very high	4 Å²	4	79.2 Å²	79.2	3%	0.026	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	-179	28.3	-35.5	0	0	0	112.9	S93 E94 M97 V290 T292	P82-S93 WeakPolarHBondContact CD-OG 3.49Å; P82-E94 HydrophobicContact CB-CB 4.43Å; P82-M97 HydrophobicContact CB-CE 4.27Å; P82-M97 HydrophobicContact CB-SD 4.05Å; P82-M97 HydrophobicContact CG-SD 4.19Å; P82-V290 HydrophobicContact CG-CB 4.13Å; P82-T292 WeakPolarHBondContact CD-OG1 3.23Å; P82-T292 WeakPolarHBondContact CG-OG1 3.38Å
83	H	97.2	Very high	97.8	Very high	59 Å²	59	75.5 Å²	75.5	27%	0.273	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-5.8	175.1	-54.1	-59.7	0	0	0	113.3	N81 R85 Q281 V290	N81-H83 PolarHBondContact O-N 2.77Å; N81-H83 WeakPolarHBondContact OD1-CB 3.36Å; N81-H83 PolarHBondContact OD1-CD2 3.05Å; N81-H83 PolarHBondContact OD1-N 2.97Å; H83-R85 PolarHBondContact O-N 3.44Å; H83-Q281 WeakPolarHBondContact CE1-CG 3.48Å; H83-Q281 WeakPolarHBondContact NE2-CG 3.39Å; H83-V290 PolarHBondContact NE2-N 3.19Å
84	S	96.7	Very high	97.8	Very high	34 Å²	34	77 Å²	77	24%	0.238	37%	0.368	C	S	.	.			trans	-78.1	104.8	175.3	-71.5	0	0	0	0	111.1	N81 H87 G90	N81-S84 VanDerWaalsContact O-CB 3.32Å; N81-S84 WeakPolarHBondContact O-CB 3.38Å; N81-S84 PolarHBondContact O-N 3.22Å; S84-H87 VanDerWaalsContact CB-CE1 3.47Å; S84-H87 WeakPolarHBondContact CB-CE1 3.28Å; S84-H87 VanDerWaalsContact CB-NE2 3.27Å; S84-H87 WeakPolarHBondContact CB-NE2 3.45Å; S84-H87 PolarHBondContact OG-NE2 2.74Å; S84-G90 WeakPolarHBondContact O-CA 3.35Å
85	R	96.2	Very high	97.8	Very high	205 Å²	205	78 Å²	78	77%	0.774	38%	0.382	S	S	*	.			trans	-87.7	-5.5	-172.2	-64.9	-176.3	179.3	160.2	1.8	116	H83 W91	H83-R85 PolarHBondContact O-N 3.44Å; R85-W91 PolarHBondContact O-NE1 2.93Å
86	T	97.4	Very high	97.8	Very high	124 Å²	124	73.3 Å²	73.3	76%	0.761	36%	0.358	S	S	*	.	S	Bend	trans	-108.8	-3.8	-165.8	55.9	0	0	0	0	115
87	H	97.8	Very high	97.8	Very high	70 Å²	70	69.3 Å²	69.3	32%	0.324	33%	0.334	S	S	.	.	S	Bend	trans	-147.4	156.5	-174.5	62.1	66	0	0	0	112.8	S84 Y89 G90 W91	S84-H87 VanDerWaalsContact CB-CE1 3.47Å; S84-H87 WeakPolarHBondContact CB-CE1 3.28Å; S84-H87 VanDerWaalsContact CB-NE2 3.27Å; S84-H87 WeakPolarHBondContact CB-NE2 3.45Å; S84-H87 PolarHBondContact OG-NE2 2.74Å; H87-Y89 VanDerWaalsContact C-N 3.33Å; H87-Y89 PolarHBondContact ND1-N 3.2Å; H87-Y89 PolarHBondContact O-N 3.19Å; H87-G90 PolarHBondContact CE1-N 2.89Å; H87-G90 PolarHBondContact ND1-N 3.33Å; H87-G90 PolarHBondContact O-N 3.45Å; H87-W91 PolarHBondContact O-N 3.26Å
88	A	97.7	Very high	97.9	Very high	47 Å²	47	67.6 Å²	67.6	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-51.7	-44.2	-175	0	0	0	0	0	114	G90 W91 E92	A88-G90 PolarHBondContact O-N 3.29Å; A88-G90 VanDerWaalsContact O-N 3.13Å; A88-W91 HydrophobicContact CB-CE3 4.42Å; A88-W91 PolarHBondContact O-N 2.92Å; A88-W91 VanDerWaalsContact O-N 3.12Å; A88-E92 WeakPolarHBondContact O-CG 3.44Å; A88-E92 PolarHBondContact O-N 3.42Å
89	Y	98.2	Very high	97.9	Very high	111 Å²	111	69.5 Å²	69.5	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-57.1	-32.6	179.1	-62.9	-87.3	0	0	0	113.7	Y79 G80 H87 S93	Y79-Y89 HydrophobicContact CE1-CE1 4.2Å; Y79-Y89 HydrophobicContact CE2-CD1 4.33Å; Y79-Y89 HydrophobicContact CE2-CE1 4.46Å; Y79-Y89 AromaticContact CZ-CE1 3.88Å; G80-Y89 WeakPolarHBondContact CA-O 3.39Å; H87-Y89 VanDerWaalsContact C-N 3.33Å; H87-Y89 PolarHBondContact ND1-N 3.2Å; H87-Y89 PolarHBondContact O-N 3.19Å; Y89-S93 VanDerWaalsContact O-CB 3.32Å; Y89-S93 WeakPolarHBondContact O-CB 3.38Å; Y89-S93 PolarHBondContact O-N 3.45Å
90	G	98.1	Very high	98	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-78.4	-41.4	178	0	0	0	0	0	111.8	N81 S84 H87 A88 S93 E94	N81-G90 WeakPolarHBondContact O-CA 3.42Å; S84-G90 WeakPolarHBondContact O-CA 3.35Å; H87-G90 PolarHBondContact CE1-N 2.89Å; H87-G90 PolarHBondContact ND1-N 3.33Å; H87-G90 PolarHBondContact O-N 3.45Å; A88-G90 PolarHBondContact O-N 3.29Å; A88-G90 VanDerWaalsContact O-N 3.13Å; G90-S93 PolarHBondContact O-N 3.06Å; G90-E94 WeakPolarHBondContact O-CB 3.39Å; G90-E94 PolarHBondContact O-N 3.36Å
91	W	98.4	Very high	98	Very high	139 Å²	139	62 Å²	62	53%	0.527	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-41.6	176.1	-53.5	-28.4	0	0	0	112.7	R85 H87 A88 S93 E94 A95	R85-W91 PolarHBondContact O-NE1 2.93Å; H87-W91 PolarHBondContact O-N 3.26Å; A88-W91 HydrophobicContact CB-CE3 4.42Å; A88-W91 PolarHBondContact O-N 2.92Å; A88-W91 VanDerWaalsContact O-N 3.12Å; W91-S93 VanDerWaalsContact C-N 3.33Å; W91-E94 PolarHBondContact O-N 3.17Å; W91-A95 WeakPolarHBondContact O-CB 3.48Å; W91-A95 PolarHBondContact O-N 2.73Å
92	E	98	Very high	98.1	Very high	86 Å²	86	63 Å²	63	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-41.3	175.7	-70.9	171	178.4	0	0	111.6	Y78 A88 A96	Y78-E92 WeakPolarHBondContact CD1-OE2 3.47Å; A88-E92 WeakPolarHBondContact O-CG 3.44Å; A88-E92 PolarHBondContact O-N 3.42Å; E92-A96 PolarHBondContact O-N 3.02Å; E92-A96 VanDerWaalsContact O-N 3.11Å
93	S	98.2	Very high	98.1	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69	-41.8	177.4	-170.4	0	0	0	0	112.2	G80 P82 Y89 G90 W91 A96 M97 T292	G80-S93 WeakPolarHBondContact O-CB 3.34Å; G80-S93 PolarHBondContact O-OG 3.48Å; P82-S93 WeakPolarHBondContact CD-OG 3.49Å; Y89-S93 VanDerWaalsContact O-CB 3.32Å; Y89-S93 WeakPolarHBondContact O-CB 3.38Å; Y89-S93 PolarHBondContact O-N 3.45Å; G90-S93 PolarHBondContact O-N 3.06Å; W91-S93 VanDerWaalsContact C-N 3.33Å; S93-A96 PolarHBondContact O-N 2.8Å; S93-M97 WeakPolarHBondContact O-CB 3.46Å; S93-M97 PolarHBondContact O-N 3.22Å; S93-T292 WeakPolarHBondContact OG-CB 3.43Å; S93-T292 WeakPolarHBondContact OG-CG2 3.16Å; S93-T292 PolarHBondContact OG-OG1 2.9Å
94	E	98.4	Very high	98.2	Very high	80 Å²	80	62.2 Å²	62.2	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-46	174.1	-177.2	177.4	-154.3	0	0	111.4	P82 G90 W91 A96 M97 E98	P82-E94 HydrophobicContact CB-CB 4.43Å; G90-E94 WeakPolarHBondContact O-CB 3.39Å; G90-E94 PolarHBondContact O-N 3.36Å; W91-E94 PolarHBondContact O-N 3.17Å; E94-A96 VanDerWaalsContact C-N 3.28Å; E94-A96 PolarHBondContact O-N 2.82Å; E94-M97 HydrophobicContact CG-CE 4.2Å; E94-M97 WeakPolarHBondContact O-CB 3.46Å; E94-M97 PolarHBondContact O-N 2.78Å; E94-E98 PolarHBondContact O-N 2.89Å
95	A	98.6	Very high	98.3	Very high	49 Å²	49	60.6 Å²	60.6	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-38.7	177.1	0	0	0	0	0	112	W91 R99	W91-A95 WeakPolarHBondContact O-CB 3.48Å; W91-A95 PolarHBondContact O-N 2.73Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 3.03Å
96	A	98.7	Very high	98.4	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-67.7	-43.1	175	0	0	0	0	0	112.9	Y74 E92 S93 E94 R99 A100 T292 V296	Y74-A96 HydrophobicContact CD1-CB 4.07Å; Y74-A96 HydrophobicContact CE1-CB 3.19Å; Y74-A96 HydrophobicContact CE2-CB 4.48Å; Y74-A96 VanDerWaalsContact CZ-CB 3.43Å; Y74-A96 WeakPolarHBondContact OH-CB 3.14Å; E92-A96 PolarHBondContact O-N 3.02Å; E92-A96 VanDerWaalsContact O-N 3.11Å; S93-A96 PolarHBondContact O-N 2.8Å; E94-A96 VanDerWaalsContact C-N 3.28Å; E94-A96 PolarHBondContact O-N 2.82Å; A96-R99 PolarHBondContact O-N 3.4Å; A96-A100 WeakPolarHBondContact O-CB 3.41Å; A96-A100 PolarHBondContact O-N 2.86Å; A96-T292 HydrophobicContact CB-CG2 4.14Å; A96-V296 HydrophobicContact CB-CG2 3.89Å
97	M	98.6	Very high	98.5	Very high	10 Å²	10	48 Å²	48	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-46.4	174.6	175.4	-174.8	72	0	0	111.7	P82 S93 E94 A100 R101 F117 V290 V295	P82-M97 HydrophobicContact CB-CE 4.27Å; P82-M97 HydrophobicContact CB-SD 4.05Å; P82-M97 HydrophobicContact CG-SD 4.19Å; S93-M97 WeakPolarHBondContact O-CB 3.46Å; S93-M97 PolarHBondContact O-N 3.22Å; E94-M97 HydrophobicContact CG-CE 4.2Å; E94-M97 WeakPolarHBondContact O-CB 3.46Å; E94-M97 PolarHBondContact O-N 2.78Å; M97-A100 PolarHBondContact O-N 2.87Å; M97-R101 WeakPolarHBondContact O-CB 3.09Å; M97-R101 PolarHBondContact O-N 2.89Å; M97-F117 HydrophobicContact CG-CD2 4.33Å; M97-F117 HydrophobicContact CG-CE2 3.87Å; M97-V290 HydrophobicContact CG-CG1 3.98Å; M97-V290 HydrophobicContact SD-CB 3.75Å; M97-V290 HydrophobicContact SD-CG1 3.66Å; M97-V290 HydrophobicContact SD-CG2 3.85Å; M97-V295 HydrophobicContact CB-CG2 4.44Å; M97-V295 HydrophobicContact CG-CG2 4.41Å
98	E	98.7	Very high	98.6	Very high	69 Å²	69	44.7 Å²	44.7	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-71.5	-33.7	-179.2	-69.3	-57.8	117	0	0	112.7	E94 R101 Q102	E94-E98 PolarHBondContact O-N 2.89Å; E98-R101 WeakPolarHBondContact O-CB 3.48Å; E98-R101 PolarHBondContact O-N 2.93Å; E98-R101 IonicContact OE1-CZ 3.16Å; E98-R101 IonicContact OE1-NE 2.96Å; E98-R101 PolarHBondContact OE1-NE 3.31Å; E98-R101 IonicContact OE1-NH2 3.94Å; E98-R101 PolarHBondContact OE1-NH2 3.42Å; E98-R101 IonicContact OE2-NE 2.79Å; E98-Q102 PolarHBondContact O-N 3.01Å
99	R	98.8	Very high	98.6	Very high	147 Å²	147	43.7 Å²	43.7	56%	0.555	21%	0.21	S	C	*	.	H	α-helix	trans	-61.1	-46.4	169.4	-78.1	-173.3	-62	-146	1.3	111.8	Y74 A95 A96 R101 Q102 Q103	Y74-R99 PolarHBondContact OH-NH2 2.91Å; A95-R99 WeakPolarHBondContact O-CB 3.41Å; A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 3.03Å; A96-R99 PolarHBondContact O-N 3.4Å; R99-R101 VanDerWaalsContact C-N 3.27Å; R99-R101 PolarHBondContact O-N 3.2Å; R99-Q102 WeakPolarHBondContact O-CB 3.48Å; R99-Q102 PolarHBondContact O-N 2.94Å; R99-Q103 WeakPolarHBondContact O-CG 3.44Å; R99-Q103 PolarHBondContact O-N 2.8Å
100	A	98.8	Very high	98.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-40.1	175.9	0	0	0	0	0	112.2	A96 M97 Q102 Q103 V104 F117 V295	A96-A100 WeakPolarHBondContact O-CB 3.41Å; A96-A100 PolarHBondContact O-N 2.86Å; M97-A100 PolarHBondContact O-N 2.87Å; A100-Q102 VanDerWaalsContact C-N 3.33Å; A100-Q102 PolarHBondContact O-N 3.23Å; A100-Q103 PolarHBondContact O-N 2.79Å; A100-V104 WeakPolarHBondContact O-CG2 3.35Å; A100-V104 PolarHBondContact O-N 3.35Å; A100-F117 HydrophobicContact CB-CZ 4.23Å; A100-V295 VanDerWaalsContact CB-O 3.23Å; A100-V295 WeakPolarHBondContact CB-O 3.37Å
101	R	98.8	Very high	98.6	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-42.2	176.7	-163.3	-176.2	-56.7	-79.1	0.1	111.6	M97 E98 R99 V104 A105 P112 I115 F117 E282	M97-R101 WeakPolarHBondContact O-CB 3.09Å; M97-R101 PolarHBondContact O-N 2.89Å; E98-R101 WeakPolarHBondContact O-CB 3.48Å; E98-R101 PolarHBondContact O-N 2.93Å; E98-R101 IonicContact OE1-CZ 3.16Å; E98-R101 IonicContact OE1-NE 2.96Å; E98-R101 PolarHBondContact OE1-NE 3.31Å; E98-R101 IonicContact OE1-NH2 3.94Å; E98-R101 PolarHBondContact OE1-NH2 3.42Å; E98-R101 IonicContact OE2-NE 2.79Å; R99-R101 VanDerWaalsContact C-N 3.27Å; R99-R101 PolarHBondContact O-N 3.2Å; R101-V104 PolarHBondContact O-N 3.43Å; R101-A105 WeakPolarHBondContact O-CB 3.38Å; R101-A105 PolarHBondContact O-N 3.19Å; R101-P112 WeakPolarHBondContact CD-O 3.4Å; R101-P112 HydrophobicContact CG-CB 4.23Å; R101-P112 WeakPolarHBondContact CG-O 3.31Å; R101-I115 HydrophobicContact CG-CB 3.73Å; R101-I115 HydrophobicContact CG-CG1 4.49Å; R101-I115 HydrophobicContact CG-CG2 4Å; R101-I115 PolarHBondContact NH1-O 3.47Å; R101-F117 HydrophobicContact CB-CE2 4.05Å; R101-F117 HydrophobicContact CB-CZ 3.93Å; R101-F117 HydrophobicContact CG-CE2 4.35Å; R101-F117 HydrophobicContact CG-CZ 4.38Å; R101-E282 IonicContact CZ-OE1 3.61Å; R101-E282 IonicContact CZ-OE2 3.74Å; R101-E282 IonicContact NH1-OE1 2.87Å; R101-E282 IonicContact NH1-OE2 3.8Å; R101-E282 PolarHBondContact NH1-OE2 3.48Å; R101-E282 IonicContact NH2-OE1 3.68Å; R101-E282 PolarHBondContact NH2-OE1 3.3Å; R101-E282 IonicContact NH2-OE2 3.33Å
102	Q	98.9	Very high	98.6	Very high	83 Å²	83	36 Å²	36	39%	0.388	19%	0.19	S	C	.	.	H	α-helix	trans	-64.3	-42.9	175	-176.3	59.6	63.5	0	0	112.1	E98 R99 A100 V104 A105 S106 P112	E98-Q102 PolarHBondContact O-N 3.01Å; R99-Q102 WeakPolarHBondContact O-CB 3.48Å; R99-Q102 PolarHBondContact O-N 2.94Å; A100-Q102 VanDerWaalsContact C-N 3.33Å; A100-Q102 PolarHBondContact O-N 3.23Å; Q102-V104 PolarHBondContact O-N 3.46Å; Q102-A105 PolarHBondContact O-N 3.04Å; Q102-S106 PolarHBondContact NE2-OG 3.42Å; Q102-S106 WeakPolarHBondContact O-CB 3.3Å; Q102-S106 PolarHBondContact O-N 3.28Å; Q102-S106 PolarHBondContact O-OG 3.01Å; Q102-P112 VanDerWaalsContact OE1-CG 3.3Å
103	Q	98.9	Very high	98.6	Very high	45 Å²	45	37.6 Å²	37.6	21%	0.21	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-42.9	177.4	-70	163.9	-37.4	0	0	112	R99 A100 L107 G299 E303	R99-Q103 WeakPolarHBondContact O-CG 3.44Å; R99-Q103 PolarHBondContact O-N 2.8Å; A100-Q103 PolarHBondContact O-N 2.79Å; Q103-L107 PolarHBondContact O-N 2.99Å; Q103-G299 WeakPolarHBondContact CB-O 3.24Å; Q103-G299 PolarHBondContact OE1-O 2.7Å; Q103-E303 HydrophobicContact CB-CB 4.41Å; Q103-E303 HydrophobicContact CG-CB 4.18Å; Q103-E303 PolarHBondContact NE2-OE2 3.25Å
104	V	98.9	Very high	98.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-46	174.2	177.1	0	0	0	0	110.9	A100 R101 Q102 L107 I115 F117 I248 A261 L298 C302	A100-V104 WeakPolarHBondContact O-CG2 3.35Å; A100-V104 PolarHBondContact O-N 3.35Å; R101-V104 PolarHBondContact O-N 3.43Å; Q102-V104 PolarHBondContact O-N 3.46Å; V104-L107 PolarHBondContact O-N 3.35Å; V104-I115 HydrophobicContact CB-CG2 4.19Å; V104-I115 HydrophobicContact CG1-CD1 4.11Å; V104-I115 HydrophobicContact CG1-CG1 4.3Å; V104-I115 HydrophobicContact CG1-CG2 3.85Å; V104-F117 HydrophobicContact CG2-CE1 4.39Å; V104-I248 HydrophobicContact CG1-CD1 3.88Å; V104-A261 HydrophobicContact CG1-CB 4.3Å; V104-L298 HydrophobicContact CG2-CD2 4.16Å; V104-L298 HydrophobicContact CG2-CG 3.92Å; V104-C302 HydrophobicContact CG2-CB 4.44Å
105	A	98.8	Very high	98.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-178.7	0	0	0	0	0	112.4	R101 Q102 L107 I108 G109 A110 P112 I115	R101-A105 WeakPolarHBondContact O-CB 3.38Å; R101-A105 PolarHBondContact O-N 3.19Å; Q102-A105 PolarHBondContact O-N 3.04Å; A105-L107 VanDerWaalsContact C-N 3.3Å; A105-L107 PolarHBondContact O-N 3.41Å; A105-I108 PolarHBondContact O-N 3.15Å; A105-G109 PolarHBondContact O-N 3.4Å; A105-G109 VanDerWaalsContact O-N 3.13Å; A105-A110 HydrophobicContact CB-CB 4.27Å; A105-A110 WeakPolarHBondContact CB-O 3.37Å; A105-A110 PolarHBondContact O-N 2.84Å; A105-P112 HydrophobicContact CB-CB 4.35Å; A105-I115 HydrophobicContact CB-CD1 4.33Å; A105-I115 HydrophobicContact CB-CG1 3.73Å
106	S	98.7	Very high	98.7	Very high	50 Å²	50	32.4 Å²	32.4	35%	0.35	16%	0.16	S	C	.	.	H	α-helix	trans	-60.1	-36.5	179.2	-65.3	0	0	0	0	112.9	Q102 I108	Q102-S106 PolarHBondContact NE2-OG 3.42Å; Q102-S106 WeakPolarHBondContact O-CB 3.3Å; Q102-S106 PolarHBondContact O-N 3.28Å; Q102-S106 PolarHBondContact O-OG 3.01Å; S106-I108 VanDerWaalsContact C-N 3.27Å; S106-I108 PolarHBondContact O-N 3.16Å
107	L	98.7	Very high	98.7	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-28.5	179.7	176	62.2	0	0	0	113.2	Q103 V104 A105 V231 L253 C302 A305 Q306 M309	Q103-L107 PolarHBondContact O-N 2.99Å; V104-L107 PolarHBondContact O-N 3.35Å; A105-L107 VanDerWaalsContact C-N 3.3Å; A105-L107 PolarHBondContact O-N 3.41Å; L107-V231 HydrophobicContact CD2-CG1 3.47Å; L107-V231 VanDerWaalsContact CD2-CG1 3.47Å; L107-V231 HydrophobicContact CG-CG1 4.34Å; L107-L253 HydrophobicContact CD2-CD1 4.43Å; L107-C302 HydrophobicContact CB-CB 4.24Å; L107-C302 HydrophobicContact CD2-CB 3.73Å; L107-A305 HydrophobicContact CD2-CB 4.35Å; L107-Q306 HydrophobicContact CD1-CB 3.84Å; L107-Q306 HydrophobicContact CD1-CG 4.33Å; L107-M309 HydrophobicContact CD1-CE 3.77Å
108	I	98.7	Very high	98.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	8.9	-174.8	66.3	165.6	0	0	0	113.8	A105 S106 A110 I115 V231 L236 D237 V238 M246 I248 Y263	A105-I108 PolarHBondContact O-N 3.15Å; S106-I108 VanDerWaalsContact C-N 3.27Å; S106-I108 PolarHBondContact O-N 3.16Å; I108-A110 HydrophobicContact CD1-CB 3.9Å; I108-A110 HydrophobicContact CG1-CB 3.75Å; I108-A110 PolarHBondContact O-N 3.2Å; I108-I115 HydrophobicContact CD1-CD1 3.93Å; I108-V231 HydrophobicContact CG2-CG2 4.47Å; I108-L236 CarbonylContact C-O 3.28Å; I108-L236 WeakPolarHBondContact CA-O 3.4Å; I108-D237 WeakPolarHBondContact O-CA 3.19Å; I108-V238 HydrophobicContact CB-CG1 4.34Å; I108-V238 HydrophobicContact CD1-CG1 3.93Å; I108-V238 HydrophobicContact CG1-CG1 4.31Å; I108-V238 PolarHBondContact O-N 2.87Å; I108-M246 HydrophobicContact CD1-SD 4.27Å; I108-M246 HydrophobicContact CG2-SD 4.12Å; I108-I248 HydrophobicContact CD1-CD1 4.17Å; I108-I248 HydrophobicContact CG2-CD1 4.48Å; I108-Y263 HydrophobicContact CD1-CD2 4.15Å; I108-Y263 HydrophobicContact CD1-CG 4.2Å
109	G	98.5	Very high	98.7	Very high	26 Å²	26	31.9 Å²	31.9	27%	0.268	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	27.7	-178.4	0	0	0	0	0	114.8	A105 N239	A105-G109 PolarHBondContact O-N 3.4Å; A105-G109 VanDerWaalsContact O-N 3.13Å; G109-N239 PolarHBondContact O-ND2 2.95Å
110	A	98.7	Very high	98.7	Very high	16 Å²	16	25.4 Å²	25.4	13%	0.132	14%	0.143	C	C	.	.			trans	-100.2	166.5	-177.7	0	0	0	0	0	113.3	A105 I108 I115 V238 Y263	A105-A110 HydrophobicContact CB-CB 4.27Å; A105-A110 WeakPolarHBondContact CB-O 3.37Å; A105-A110 PolarHBondContact O-N 2.84Å; I108-A110 HydrophobicContact CD1-CB 3.9Å; I108-A110 HydrophobicContact CG1-CB 3.75Å; I108-A110 PolarHBondContact O-N 3.2Å; A110-I115 HydrophobicContact CB-CD1 4.16Å; A110-V238 HydrophobicContact CB-CG2 4.07Å; A110-Y263 HydrophobicContact CB-CD2 3.65Å; A110-Y263 HydrophobicContact CB-CE2 3.59Å
111	D	98.4	Very high	98.7	Very high	48 Å²	48	25.8 Å²	25.8	26%	0.257	15%	0.146	S	C	.	.			trans	-83.3	138.7	163.8	-177.2	-65.7	0	0	0	109.7	R113 E114	D111-R113 PolarHBondContact O-N 3.42Å; D111-R113 WeakPolarHBondContact OD1-CA 3.35Å; D111-R113 WeakPolarHBondContact OD1-CB 3.12Å; D111-R113 VanDerWaalsContact OD1-CG 3.22Å; D111-R113 WeakPolarHBondContact OD1-CG 2.88Å; D111-R113 IonicContact OD1-CZ 3.47Å; D111-R113 PolarHBondContact OD1-N 3.04Å; D111-R113 IonicContact OD1-NE 2.98Å; D111-R113 PolarHBondContact OD1-NE 3.36Å; D111-R113 IonicContact OD1-NH2 3.21Å; D111-R113 IonicContact OD2-CZ 3.44Å; D111-R113 IonicContact OD2-NE 3.6Å; D111-R113 PolarHBondContact OD2-NE 2.67Å; D111-R113 IonicContact OD2-NH2 2.66Å; D111-R113 PolarHBondContact OD2-NH2 3.07Å; D111-E114 HydrophobicContact CB-CG 4.09Å; D111-E114 PolarHBondContact N-OE2 3.34Å; D111-E114 VanDerWaalsContact O-CB 3.27Å; D111-E114 WeakPolarHBondContact O-CB 3.36Å; D111-E114 PolarHBondContact O-N 2.8Å
112	P	98.5	Very high	98.7	Very high	26 Å²	26	29.5 Å²	29.5	17%	0.169	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-55.1	-28.8	179.3	24.3	-37.3	0	0	0	113	R101 Q102 A105 E114 I115	R101-P112 WeakPolarHBondContact CD-O 3.4Å; R101-P112 HydrophobicContact CG-CB 4.23Å; R101-P112 WeakPolarHBondContact CG-O 3.31Å; Q102-P112 VanDerWaalsContact OE1-CG 3.3Å; A105-P112 HydrophobicContact CB-CB 4.35Å; P112-E114 PolarHBondContact O-N 2.87Å; P112-I115 PolarHBondContact O-N 3.28Å; P112-I115 VanDerWaalsContact O-N 3.12Å
113	R	98.2	Very high	98.7	Very high	118 Å²	118	27 Å²	27	45%	0.445	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-70.6	-11	178.3	-56.6	169.1	-70.6	179.4	-0.6	113.3	D111 R266 R283	D111-R113 PolarHBondContact O-N 3.42Å; D111-R113 WeakPolarHBondContact OD1-CA 3.35Å; D111-R113 WeakPolarHBondContact OD1-CB 3.12Å; D111-R113 VanDerWaalsContact OD1-CG 3.22Å; D111-R113 WeakPolarHBondContact OD1-CG 2.88Å; D111-R113 IonicContact OD1-CZ 3.47Å; D111-R113 PolarHBondContact OD1-N 3.04Å; D111-R113 IonicContact OD1-NE 2.98Å; D111-R113 PolarHBondContact OD1-NE 3.36Å; D111-R113 IonicContact OD1-NH2 3.21Å; D111-R113 IonicContact OD2-CZ 3.44Å; D111-R113 IonicContact OD2-NE 3.6Å; D111-R113 PolarHBondContact OD2-NE 2.67Å; D111-R113 IonicContact OD2-NH2 2.66Å; D111-R113 PolarHBondContact OD2-NH2 3.07Å; R113-R266 VanDerWaalsContact CD-NH1 3.32Å; R113-R283 PolarHBondContact O-NE 3.29Å
114	E	98.7	Very high	98.7	Very high	15 Å²	15	24.9 Å²	24.9	7%	0.07	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-91.7	-12.3	175	-59.4	179.5	126.6	0	0	112.2	D111 P112 Y263 I264 R265 R266	D111-E114 HydrophobicContact CB-CG 4.09Å; D111-E114 PolarHBondContact N-OE2 3.34Å; D111-E114 VanDerWaalsContact O-CB 3.27Å; D111-E114 WeakPolarHBondContact O-CB 3.36Å; D111-E114 PolarHBondContact O-N 2.8Å; P112-E114 PolarHBondContact O-N 2.87Å; E114-Y263 HydrophobicContact CB-CD2 3.7Å; E114-Y263 HydrophobicContact CB-CE2 3.57Å; E114-Y263 HydrophobicContact CG-CE2 4.14Å; E114-Y263 CarbonylContact O-C 3.5Å; E114-Y263 WeakPolarHBondContact O-CA 3.4Å; E114-Y263 WeakPolarHBondContact OE2-CE2 3.13Å; E114-I264 WeakPolarHBondContact CB-O 3.46Å; E114-I264 PolarHBondContact O-N 2.97Å; E114-R265 WeakPolarHBondContact OE1-CA 3.44Å; E114-R266 HydrophobicContact CG-CB 4Å; E114-R266 HydrophobicContact CG-CG 3.77Å; E114-R266 PolarHBondContact OE1-N 3.23Å
115	I	98.8	Very high	98.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.5	178.7	-54.3	-53.6	0	0	0	109.9	R101 V104 A105 I108 A110 P112 A261 Y263	R101-I115 HydrophobicContact CG-CB 3.73Å; R101-I115 HydrophobicContact CG-CG1 4.49Å; R101-I115 HydrophobicContact CG-CG2 4Å; R101-I115 PolarHBondContact NH1-O 3.47Å; V104-I115 HydrophobicContact CB-CG2 4.19Å; V104-I115 HydrophobicContact CG1-CD1 4.11Å; V104-I115 HydrophobicContact CG1-CG1 4.3Å; V104-I115 HydrophobicContact CG1-CG2 3.85Å; A105-I115 HydrophobicContact CB-CD1 4.33Å; A105-I115 HydrophobicContact CB-CG1 3.73Å; I108-I115 HydrophobicContact CD1-CD1 3.93Å; A110-I115 HydrophobicContact CB-CD1 4.16Å; P112-I115 PolarHBondContact O-N 3.28Å; P112-I115 VanDerWaalsContact O-N 3.12Å; I115-A261 HydrophobicContact CG2-CB 3.98Å; I115-Y263 HydrophobicContact CD1-CD2 4.27Å
116	I	98.9	Very high	98.7	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.7	173.7	-57.9	-57.7	0	0	0	109	A261 I262 I264 E282 R283 M285 R286	I116-A261 CarbonylContact O-C 3.59Å; I116-A261 WeakPolarHBondContact O-CA 3.26Å; I116-I262 HydrophobicContact CB-CG2 3.7Å; I116-I262 HydrophobicContact CG2-CG2 4.03Å; I116-I262 PolarHBondContact N-O 3.02Å; I116-I262 PolarHBondContact O-N 3.24Å; I116-I264 HydrophobicContact CG1-CD1 4.18Å; I116-E282 WeakPolarHBondContact CA-OE2 3.34Å; I116-E282 HydrophobicContact CD1-CB 4.25Å; I116-E282 HydrophobicContact CG2-CB 3.77Å; I116-E282 HydrophobicContact CG2-CG 4.19Å; I116-R283 HydrophobicContact CD1-CG 4.41Å; I116-M285 HydrophobicContact CD1-CB 4.38Å; I116-M285 HydrophobicContact CG1-CB 4.27Å; I116-M285 HydrophobicContact CG2-CB 4.22Å; I116-R286 HydrophobicContact CG2-CB 3.83Å
117	F	98.9	Very high	98.7	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.022	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.4	178.3	-67.7	-60.1	0	0	0	111.9	M97 A100 R101 V104 A261 E282 V290 V295 L298	M97-F117 HydrophobicContact CG-CD2 4.33Å; M97-F117 HydrophobicContact CG-CE2 3.87Å; A100-F117 HydrophobicContact CB-CZ 4.23Å; R101-F117 HydrophobicContact CB-CE2 4.05Å; R101-F117 HydrophobicContact CB-CZ 3.93Å; R101-F117 HydrophobicContact CG-CE2 4.35Å; R101-F117 HydrophobicContact CG-CZ 4.38Å; V104-F117 HydrophobicContact CG2-CE1 4.39Å; F117-A261 HydrophobicContact CD1-CB 4.46Å; F117-E282 PolarHBondContact N-OE2 3.29Å; F117-V290 HydrophobicContact CD2-CG1 4.01Å; F117-V295 HydrophobicContact CB-CG1 4.03Å; F117-V295 HydrophobicContact CD1-CB 4.1Å; F117-V295 HydrophobicContact CD1-CG1 3.59Å; F117-V295 HydrophobicContact CD2-CB 4.28Å; F117-V295 HydrophobicContact CD2-CG1 3.78Å; F117-V295 HydrophobicContact CE1-CB 3.86Å; F117-V295 HydrophobicContact CE1-CG1 3.9Å; F117-V295 HydrophobicContact CE2-CB 4.04Å; F117-V295 HydrophobicContact CE2-CG1 4.06Å; F117-V295 HydrophobicContact CE2-CG2 4.47Å; F117-V295 HydrophobicContact CG-CB 4.31Å; F117-V295 HydrophobicContact CG-CG1 3.52Å; F117-V295 HydrophobicContact CZ-CB 3.82Å; F117-V295 HydrophobicContact CZ-CG1 4.12Å; F117-L298 HydrophobicContact CD1-CD2 4.12Å; F117-L298 HydrophobicContact CE1-CD2 4.07Å
118	T	98.9	Very high	98.7	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	176.2	178.6	68.7	0	0	0	0	109.7	G120 E123 S124 I127 V259 G260 I262	T118-G120 PolarHBondContact O-N 3.11Å; T118-G120 PolarHBondContact OG1-N 3.48Å; T118-G120 PolarHBondContact OG1-O 2.71Å; T118-E123 HydrophobicContact CG2-CG 4.5Å; T118-S124 WeakPolarHBondContact CG2-OG 3.4Å; T118-S124 PolarHBondContact OG1-OG 3.42Å; T118-I127 HydrophobicContact CG2-CD1 3.95Å; T118-V259 WeakPolarHBondContact O-CA 3.4Å; T118-G260 PolarHBondContact N-O 3.35Å; T118-G260 PolarHBondContact O-N 2.79Å; T118-I262 HydrophobicContact CG2-CB 4.45Å; T118-I262 HydrophobicContact CG2-CG2 3.93Å
119	S	98.7	Very high	98.7	Very high	61 Å²	61	23.5 Å²	23.5	43%	0.427	14%	0.137	S	C	.	.	S	Bend	trans	-78.5	-2.9	173.4	63.5	0	0	0	0	114	E123 G258 V259	S119-E123 WeakPolarHBondContact CA-OE2 3.39Å; S119-E123 WeakPolarHBondContact CB-OE2 3.19Å; S119-E123 PolarHBondContact N-OE2 3.01Å; S119-E123 PolarHBondContact OG-OE2 3.42Å; S119-G258 CarbonylContact O-C 3.37Å; S119-G258 WeakPolarHBondContact O-CA 3.44Å; S119-V259 PolarHBondContact O-N 3.19Å; S119-V259 VanDerWaalsContact O-N 3.14Å
120	G	98.6	Very high	98.7	Very high	10 Å²	10	23.8 Å²	23.8	10%	0.103	13%	0.131	C	C	.	.	S	Bend	trans	150.7	173.4	-179.7	0	0	0	0	0	112.7	T118 T122 E123 S124	T118-G120 PolarHBondContact O-N 3.11Å; T118-G120 PolarHBondContact OG1-N 3.48Å; T118-G120 PolarHBondContact OG1-O 2.71Å; G120-T122 PolarHBondContact O-N 3.46Å; G120-E123 PolarHBondContact O-N 3.49Å; G120-S124 PolarHBondContact O-N 3.01Å; G120-S124 PolarHBondContact O-OG 3.41Å
121	A	98.6	Very high	98.7	Very high	9 Å²	9	23 Å²	23	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-27.1	-179.9	0	0	0	0	0	113.8	E123 S124 N125 A228	A121-E123 PolarHBondContact O-N 3.47Å; A121-S124 PolarHBondContact O-N 3.15Å; A121-N125 WeakPolarHBondContact O-CB 3.2Å; A121-N125 VanDerWaalsContact O-CG 3.26Å; A121-N125 PolarHBondContact O-N 3.09Å; A121-N125 PolarHBondContact O-ND2 3.4Å; A121-A228 HydrophobicContact CB-CB 3.67Å
122	T	98.7	Very high	98.7	Very high	83 Å²	83	20.8 Å²	20.8	51%	0.509	11%	0.112	S	C	.	.	H	α-helix	trans	-59.3	-45.9	172.4	-60	0	0	0	0	111.6	G120 N126 C152	G120-T122 PolarHBondContact O-N 3.46Å; T122-N126 PolarHBondContact O-N 3.47Å; T122-N126 PolarHBondContact O-ND2 3.37Å; T122-C152 HydrophobicContact CG2-CB 3.8Å
123	E	98.8	Very high	98.7	Very high	30 Å²	30	19.5 Å²	19.5	14%	0.14	10%	0.104	C	C	.	.	H	α-helix	trans	-68.8	-43	175.6	-176.1	-179.1	175.7	0	0	110.7	T118 S119 G120 A121 N125 N126 I127 R286	T118-E123 HydrophobicContact CG2-CG 4.5Å; S119-E123 WeakPolarHBondContact CA-OE2 3.39Å; S119-E123 WeakPolarHBondContact CB-OE2 3.19Å; S119-E123 PolarHBondContact N-OE2 3.01Å; S119-E123 PolarHBondContact OG-OE2 3.42Å; G120-E123 PolarHBondContact O-N 3.49Å; A121-E123 PolarHBondContact O-N 3.47Å; E123-N125 PolarHBondContact O-N 3.03Å; E123-N126 WeakPolarHBondContact O-CB 3.3Å; E123-N126 PolarHBondContact O-N 3.19Å; E123-I127 HydrophobicContact CG-CD1 3.8Å; E123-I127 HydrophobicContact CG-CG1 4.31Å; E123-I127 WeakPolarHBondContact O-CG1 3.31Å; E123-I127 PolarHBondContact O-N 3.07Å; E123-R286 WeakPolarHBondContact OE1-CG 3.18Å; E123-R286 IonicContact OE1-CZ 3.58Å; E123-R286 IonicContact OE1-NE 2.75Å; E123-R286 PolarHBondContact OE1-NE 3.1Å; E123-R286 IonicContact OE1-NH2 3.51Å; E123-R286 PolarHBondContact OE1-NH2 3.45Å; E123-R286 IonicContact OE2-CZ 3.61Å; E123-R286 IonicContact OE2-NE 3.54Å; E123-R286 IonicContact OE2-NH2 2.81Å; E123-R286 PolarHBondContact OE2-NH2 3.06Å; E123-R286 VanDerWaalsContact OE2-NH2 3.08Å
124	S	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58	-47.4	177.7	-58.4	0	0	0	0	112.6	T118 G120 A121 N126 I127 A128 S247 A261	T118-S124 WeakPolarHBondContact CG2-OG 3.4Å; T118-S124 PolarHBondContact OG1-OG 3.42Å; G120-S124 PolarHBondContact O-N 3.01Å; G120-S124 PolarHBondContact O-OG 3.41Å; A121-S124 PolarHBondContact O-N 3.15Å; S124-N126 VanDerWaalsContact C-N 3.33Å; S124-N126 PolarHBondContact O-N 3.01Å; S124-I127 PolarHBondContact O-N 3.33Å; S124-A128 WeakPolarHBondContact O-CB 3.42Å; S124-A128 PolarHBondContact O-N 3.32Å; S124-S247 WeakPolarHBondContact CB-OG 3.48Å; S124-A261 VanDerWaalsContact OG-C 3.25Å; S124-A261 PolarHBondContact OG-O 2.93Å
125	N	98.9	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-42.2	177	-74.2	-17.9	0	0	0	111.3	A121 E123 A128 I129 C152 V153 H224 D226 S247	A121-N125 WeakPolarHBondContact O-CB 3.2Å; A121-N125 VanDerWaalsContact O-CG 3.26Å; A121-N125 PolarHBondContact O-N 3.09Å; A121-N125 PolarHBondContact O-ND2 3.4Å; E123-N125 PolarHBondContact O-N 3.03Å; N125-A128 PolarHBondContact O-N 3.33Å; N125-I129 WeakPolarHBondContact O-CB 3.48Å; N125-I129 WeakPolarHBondContact O-CD1 3.28Å; N125-I129 WeakPolarHBondContact O-CG1 3.48Å; N125-I129 PolarHBondContact O-N 3.09Å; N125-C152 PolarHBondContact ND2-SG 2.83Å; N125-V153 HydrophobicContact CB-CG2 4.03Å; N125-H224 PolarHBondContact OD1-CE1 3.29Å; N125-H224 PolarHBondContact OD1-NE2 2.79Å; N125-D226 PolarHBondContact ND2-OD2 2.97Å; N125-S247 PolarHBondContact N-OG 3.44Å; N125-S247 WeakPolarHBondContact OD1-CB 3.26Å; N125-S247 PolarHBondContact OD1-OG 3.4Å
126	N	98.9	Very high	98.6	Very high	34 Å²	34	21.7 Å²	21.7	18%	0.182	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-49.1	175.6	-87.7	-98.6	0	0	0	111.4	T122 E123 S124 A128 K130 S156 L275	T122-N126 PolarHBondContact O-N 3.47Å; T122-N126 PolarHBondContact O-ND2 3.37Å; E123-N126 WeakPolarHBondContact O-CB 3.3Å; E123-N126 PolarHBondContact O-N 3.19Å; S124-N126 VanDerWaalsContact C-N 3.33Å; S124-N126 PolarHBondContact O-N 3.01Å; N126-A128 PolarHBondContact O-N 3.34Å; N126-K130 VanDerWaalsContact O-CB 3.27Å; N126-K130 WeakPolarHBondContact O-CB 3.46Å; N126-K130 PolarHBondContact O-N 2.74Å; N126-K130 VanDerWaalsContact OD1-CE 3.28Å; N126-K130 WeakPolarHBondContact OD1-CE 3.28Å; N126-K130 PolarHBondContact OD1-NZ 2.86Å; N126-S156 VanDerWaalsContact CG-OG 3.29Å; N126-S156 PolarHBondContact ND2-OG 3.28Å; N126-S156 PolarHBondContact OD1-OG 2.97Å; N126-L275 HydrophobicContact CB-CD1 4.09Å; N126-L275 WeakPolarHBondContact O-CD1 3.34Å
127	I	98.8	Very high	98.5	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-46.6	178.8	-69.2	171.3	0	0	0	110.4	T118 E123 S124 G131 I262 V272 L275 R286	T118-I127 HydrophobicContact CG2-CD1 3.95Å; E123-I127 HydrophobicContact CG-CD1 3.8Å; E123-I127 HydrophobicContact CG-CG1 4.31Å; E123-I127 WeakPolarHBondContact O-CG1 3.31Å; E123-I127 PolarHBondContact O-N 3.07Å; S124-I127 PolarHBondContact O-N 3.33Å; I127-G131 WeakPolarHBondContact O-CA 3.44Å; I127-G131 PolarHBondContact O-N 3.2Å; I127-I262 HydrophobicContact CB-CD1 4.28Å; I127-I262 HydrophobicContact CG2-CD1 3.94Å; I127-V272 HydrophobicContact CG2-CG1 3.97Å; I127-V272 WeakPolarHBondContact O-CG1 3.4Å; I127-L275 HydrophobicContact CG1-CD1 4.2Å; I127-L275 HydrophobicContact CG1-CG 4.4Å; I127-R286 HydrophobicContact CD1-CG 4.01Å
128	A	98.8	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-54.6	-179.9	0	0	0	0	0	111.4	S124 N125 N126 V132 H224 L245 I262	S124-A128 WeakPolarHBondContact O-CB 3.42Å; S124-A128 PolarHBondContact O-N 3.32Å; N125-A128 PolarHBondContact O-N 3.33Å; N126-A128 PolarHBondContact O-N 3.34Å; A128-V132 VanDerWaalsContact O-CB 3.32Å; A128-V132 WeakPolarHBondContact O-CB 3.31Å; A128-V132 WeakPolarHBondContact O-CG2 3.39Å; A128-V132 PolarHBondContact O-N 2.88Å; A128-V132 VanDerWaalsContact O-N 3.11Å; A128-H224 WeakPolarHBondContact CB-CD2 3.28Å; A128-L245 HydrophobicContact CB-CB 4.3Å; A128-L245 HydrophobicContact CB-CD2 3.9Å; A128-I262 HydrophobicContact CB-CD1 3.71Å
129	I	98.8	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-73	-56.8	-171.1	-66.1	162.3	0	0	0	110.9	N125 A133 L143 V153 L160 L193	N125-I129 WeakPolarHBondContact O-CB 3.48Å; N125-I129 WeakPolarHBondContact O-CD1 3.28Å; N125-I129 WeakPolarHBondContact O-CG1 3.48Å; N125-I129 PolarHBondContact O-N 3.09Å; I129-A133 WeakPolarHBondContact O-CB 3.44Å; I129-A133 PolarHBondContact O-N 2.91Å; I129-L143 HydrophobicContact CG2-CD2 3.88Å; I129-V153 HydrophobicContact CD1-CB 3.9Å; I129-V153 HydrophobicContact CD1-CG1 3.61Å; I129-V153 HydrophobicContact CD1-CG2 3.85Å; I129-L160 HydrophobicContact CG2-CD1 3.69Å; I129-L193 HydrophobicContact CB-CD2 4.28Å; I129-L193 HydrophobicContact CG1-CD2 4.08Å; I129-L193 HydrophobicContact CG2-CD2 4.44Å
130	K	98.8	Very high	98.1	Very high	32 Å²	32	43.1 Å²	43.1	14%	0.139	20%	0.202	C	C	.	.	H	α-helix	trans	-68.9	-38.7	-177.6	-60.4	174.4	175.2	172.7	0	111	N126 A133 R134 L160 L275	N126-K130 VanDerWaalsContact O-CB 3.27Å; N126-K130 WeakPolarHBondContact O-CB 3.46Å; N126-K130 PolarHBondContact O-N 2.74Å; N126-K130 VanDerWaalsContact OD1-CE 3.28Å; N126-K130 WeakPolarHBondContact OD1-CE 3.28Å; N126-K130 PolarHBondContact OD1-NZ 2.86Å; K130-A133 PolarHBondContact O-N 3.36Å; K130-R134 VanDerWaalsContact O-CB 3.29Å; K130-R134 WeakPolarHBondContact O-CB 3.45Å; K130-R134 VanDerWaalsContact O-CG 3.25Å; K130-R134 WeakPolarHBondContact O-CG 3.42Å; K130-R134 PolarHBondContact O-N 2.92Å; K130-L160 HydrophobicContact CG-CD1 4.4Å; K130-L160 HydrophobicContact CG-CD2 4.37Å; K130-L160 HydrophobicContact CG-CG 4.29Å; K130-L275 HydrophobicContact CB-CD1 4.08Å; K130-L275 HydrophobicContact CB-CD2 3.94Å; K130-L275 HydrophobicContact CD-CD1 4.14Å
131	G	98.6	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-40.2	-178.1	0	0	0	0	0	113.2	I127 F135 E273	I127-G131 WeakPolarHBondContact O-CA 3.44Å; I127-G131 PolarHBondContact O-N 3.2Å; G131-F135 VanDerWaalsContact O-CB 3.26Å; G131-F135 WeakPolarHBondContact O-CB 3.33Å; G131-F135 PolarHBondContact O-N 3.28Å; G131-F135 VanDerWaalsContact O-N 3.17Å; G131-E273 VanDerWaalsContact CA-O 3.29Å; G131-E273 WeakPolarHBondContact CA-O 3.44Å; G131-E273 PolarHBondContact O-N 3.48Å
132	V	98.5	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-48.8	171.9	173.3	0	0	0	0	110.3	A128 R134 F135 Y136 L193 Y222 L245 V272	A128-V132 VanDerWaalsContact O-CB 3.32Å; A128-V132 WeakPolarHBondContact O-CB 3.31Å; A128-V132 WeakPolarHBondContact O-CG2 3.39Å; A128-V132 PolarHBondContact O-N 2.88Å; A128-V132 VanDerWaalsContact O-N 3.11Å; V132-R134 PolarHBondContact O-N 3.18Å; V132-F135 PolarHBondContact O-N 3Å; V132-Y136 HydrophobicContact CG1-CD2 3.96Å; V132-Y136 HydrophobicContact CG1-CE2 4.31Å; V132-Y136 VanDerWaalsContact O-CD2 3.31Å; V132-Y136 WeakPolarHBondContact O-CD2 3.39Å; V132-Y136 PolarHBondContact O-N 3.49Å; V132-Y136 VanDerWaalsContact O-N 3.17Å; V132-L193 HydrophobicContact CB-CD2 4.43Å; V132-L193 HydrophobicContact CG1-CB 4.23Å; V132-L193 HydrophobicContact CG1-CD1 4.3Å; V132-Y222 HydrophobicContact CG1-CD2 3.92Å; V132-L245 HydrophobicContact CG2-CD1 3.91Å; V132-L245 HydrophobicContact CG2-CD2 3.67Å; V132-L245 HydrophobicContact CG2-CG 4.49Å; V132-V272 HydrophobicContact CG2-CG2 3.82Å
133	A	98.5	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.1	-51.1	-178.6	0	0	0	0	0	111.9	I129 K130 Y136 R137 L143 L160 F165	I129-A133 WeakPolarHBondContact O-CB 3.44Å; I129-A133 PolarHBondContact O-N 2.91Å; K130-A133 PolarHBondContact O-N 3.36Å; A133-Y136 PolarHBondContact O-N 2.98Å; A133-R137 WeakPolarHBondContact O-CA 3.5Å; A133-R137 WeakPolarHBondContact O-CB 3.3Å; A133-R137 PolarHBondContact O-N 3.16Å; A133-L143 HydrophobicContact CB-CD1 4.19Å; A133-L143 HydrophobicContact CB-CD2 4.23Å; A133-L160 HydrophobicContact CB-CD1 3.62Å; A133-L160 HydrophobicContact CB-CD2 4.02Å; A133-L160 HydrophobicContact CB-CG 4.48Å; A133-F165 HydrophobicContact CB-CD1 4.21Å; A133-F165 HydrophobicContact CB-CE1 3.7Å; A133-F165 HydrophobicContact CB-CZ 3.85Å; A133-F165 WeakPolarHBondContact O-CE1 3.32Å; A133-F165 VanDerWaalsContact O-CZ 3.31Å; A133-F165 WeakPolarHBondContact O-CZ 3.4Å
134	R	98.4	Very high	98.1	Very high	59 Å²	59	41.8 Å²	41.8	22%	0.223	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-38.3	-178.6	-68.6	175.9	179.7	170.6	2.6	112.8	K130 V132 Y136 R137 E163 E273	K130-R134 VanDerWaalsContact O-CB 3.29Å; K130-R134 WeakPolarHBondContact O-CB 3.45Å; K130-R134 VanDerWaalsContact O-CG 3.25Å; K130-R134 WeakPolarHBondContact O-CG 3.42Å; K130-R134 PolarHBondContact O-N 2.92Å; V132-R134 PolarHBondContact O-N 3.18Å; R134-Y136 VanDerWaalsContact C-N 3.35Å; R134-Y136 PolarHBondContact O-N 3.43Å; R134-R137 WeakPolarHBondContact O-CB 3.42Å; R134-R137 WeakPolarHBondContact O-CD 3.28Å; R134-R137 WeakPolarHBondContact O-CG 3.47Å; R134-R137 PolarHBondContact O-N 3.12Å; R134-E163 IonicContact CZ-OE1 2.74Å; R134-E163 IonicContact CZ-OE2 3.68Å; R134-E163 IonicContact NE-OE1 3.53Å; R134-E163 IonicContact NE-OE2 3.32Å; R134-E163 PolarHBondContact NE-OE2 3.42Å; R134-E163 IonicContact NH2-OE1 2.61Å; R134-E163 PolarHBondContact NH2-OE1 2.93Å; R134-E163 IonicContact NH2-OE2 3.48Å; R134-E163 PolarHBondContact NH2-OE2 3.02Å; R134-E273 HydrophobicContact CB-CB 4.35Å
135	F	98.1	Very high	98.1	Very high	81 Å²	81	41.8 Å²	41.8	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-40.2	178.1	-170.3	-84.2	0	0	0	112.5	G131 V132 R271 E273	G131-F135 VanDerWaalsContact O-CB 3.26Å; G131-F135 WeakPolarHBondContact O-CB 3.33Å; G131-F135 PolarHBondContact O-N 3.28Å; G131-F135 VanDerWaalsContact O-N 3.17Å; V132-F135 PolarHBondContact O-N 3Å; F135-R271 HydrophobicContact CD1-CB 3.6Å; F135-R271 HydrophobicContact CD2-CB 3.99Å; F135-R271 HydrophobicContact CE1-CB 3.3Å; F135-R271 HydrophobicContact CE1-CG 3.83Å; F135-R271 HydrophobicContact CE2-CB 3.72Å; F135-R271 HydrophobicContact CE2-CG 4.4Å; F135-R271 HydrophobicContact CG-CB 3.95Å; F135-R271 HydrophobicContact CZ-CB 3.37Å; F135-R271 HydrophobicContact CZ-CG 3.73Å; F135-E273 HydrophobicContact CB-CB 4.34Å
136	Y	97.4	Very high	98.1	Very high	39 Å²	39	41.8 Å²	41.8	15%	0.153	19%	0.185	C	C	.	.	H	α-helix	trans	-100.1	7.1	-176.4	-63.1	-81.7	0	0	0	114.4	V132 A133 R134 S138 R139 K140 Y222 R271	V132-Y136 HydrophobicContact CG1-CD2 3.96Å; V132-Y136 HydrophobicContact CG1-CE2 4.31Å; V132-Y136 VanDerWaalsContact O-CD2 3.31Å; V132-Y136 WeakPolarHBondContact O-CD2 3.39Å; V132-Y136 PolarHBondContact O-N 3.49Å; V132-Y136 VanDerWaalsContact O-N 3.17Å; A133-Y136 PolarHBondContact O-N 2.98Å; R134-Y136 VanDerWaalsContact C-N 3.35Å; R134-Y136 PolarHBondContact O-N 3.43Å; Y136-S138 PolarHBondContact O-N 3.31Å; Y136-R139 PolarHBondContact O-N 2.9Å; Y136-K140 PolarHBondContact O-N 2.96Å; Y136-Y222 HydrophobicContact CD2-CD2 4.33Å; Y136-Y222 AromaticContact CD2-CE2 3.92Å; Y136-Y222 HydrophobicContact CD2-CE2 3.92Å; Y136-Y222 AromaticContact CE1-CE2 3.95Å; Y136-Y222 HydrophobicContact CE1-CE2 3.95Å; Y136-Y222 AromaticContact CE2-CD2 3.95Å; Y136-Y222 HydrophobicContact CE2-CD2 3.95Å; Y136-Y222 AromaticContact CE2-CE2 3.3Å; Y136-Y222 HydrophobicContact CE2-CE2 3.3Å; Y136-Y222 AromaticContact CZ-CE2 3.32Å; Y136-Y222 AromaticContact CZ-CZ 3.72Å; Y136-Y222 WeakPolarHBondContact OH-CE2 3.43Å; Y136-Y222 VanDerWaalsContact OH-CZ 3.31Å; Y136-Y222 PolarHBondContact OH-OH 3.3Å; Y136-R271 HydrophobicContact CE2-CB 4.41Å; Y136-R271 VanDerWaalsContact CE2-O 3.28Å; Y136-R271 WeakPolarHBondContact CE2-O 3.42Å; Y136-R271 WeakPolarHBondContact OH-CB 3.45Å; Y136-R271 PolarHBondContact OH-N 2.86Å
137	R	96.8	Very high	98	Very high	152 Å²	152	43.8 Å²	43.8	57%	0.574	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.4	-173.7	75.1	-174.5	178.3	163.2	-1.2	115.8	A133 R134 R139 K140 F165	A133-R137 WeakPolarHBondContact O-CA 3.5Å; A133-R137 WeakPolarHBondContact O-CB 3.3Å; A133-R137 PolarHBondContact O-N 3.16Å; R134-R137 WeakPolarHBondContact O-CB 3.42Å; R134-R137 WeakPolarHBondContact O-CD 3.28Å; R134-R137 WeakPolarHBondContact O-CG 3.47Å; R134-R137 PolarHBondContact O-N 3.12Å; R137-R139 VanDerWaalsContact C-N 3.28Å; R137-R139 PolarHBondContact O-N 3.5Å; R137-K140 WeakPolarHBondContact CA-O 3.47Å; R137-F165 HydrophobicContact CB-CE1 4.23Å; R137-F165 HydrophobicContact CB-CZ 3.7Å
138	S	96.4	Very high	98	Very high	107 Å²	107	43.7 Å²	43.7	75%	0.748	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.6	179.4	59.1	0	0	0	0	113.3	Y136	Y136-S138 PolarHBondContact O-N 3.31Å
139	R	94.9	Very high	98	Very high	213 Å²	213	43.7 Å²	43.7	80%	0.804	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-29.3	-177.5	-61.2	-178.8	-176.3	179.7	-0.1	113.2	Y136 R137	Y136-R139 PolarHBondContact O-N 2.9Å; R137-R139 VanDerWaalsContact C-N 3.28Å; R137-R139 PolarHBondContact O-N 3.5Å
140	K	96.7	Very high	97.9	Very high	53 Å²	53	45.7 Å²	45.7	23%	0.23	20%	0.202	C	C	.	.			trans	-137.8	125.8	-169.5	-69.9	175.9	167.6	-71.3	0	109.1	Y136 R137 P189 D190 T191	Y136-K140 PolarHBondContact O-N 2.96Å; R137-K140 WeakPolarHBondContact CA-O 3.47Å; K140-P189 PolarHBondContact NZ-O 3.26Å; K140-D190 CarbonylContact C-O 3.45Å; K140-D190 WeakPolarHBondContact CA-O 3.31Å; K140-D190 WeakPolarHBondContact CB-O 3.22Å; K140-T191 WeakPolarHBondContact CD-O 3.46Å; K140-T191 PolarHBondContact NZ-O 3.35Å
141	K	97.4	Very high	97.8	Very high	98 Å²	98	46.8 Å²	46.8	43%	0.426	21%	0.207	S	C	.	.			trans	-130.8	11	-176.6	-78.6	-161.6	172.1	-165.9	0	113.5	F165 R166 D190	K141-F165 HydrophobicContact CB-CD1 4.28Å; K141-F165 HydrophobicContact CG-CD1 4.42Å; K141-F165 HydrophobicContact CG-CE1 4.38Å; K141-F165 WeakPolarHBondContact O-CA 3.41Å; K141-R166 PolarHBondContact O-N 3.29Å; K141-D190 PolarHBondContact N-O 3.08Å; K141-D190 VanDerWaalsContact N-O 3.12Å
142	H	98.6	Very high	97.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.6	177.9	-179.4	-124.8	0	0	0	111.5	R166 T168 A186 D190 T191 S192	H142-R166 CarbonylContact C-O 3.58Å; H142-R166 WeakPolarHBondContact CA-O 3.49Å; H142-R166 PolarHBondContact CD2-O 2.76Å; H142-T168 PolarHBondContact NE2-OG1 3.42Å; H142-A186 PolarHBondContact CE1-O 3.42Å; H142-D190 PolarHBondContact N-O 2.83Å; H142-D190 VanDerWaalsContact N-O 3.16Å; H142-T191 PolarHBondContact ND1-OG1 2.86Å; H142-T191 CarbonylContact O-C 3.4Å; H142-T191 VanDerWaalsContact O-CA 3.26Å; H142-T191 WeakPolarHBondContact O-CA 3.36Å; H142-S192 PolarHBondContact O-N 3.29Å; H142-S192 PolarHBondContact O-OG 2.96Å
143	L	98.7	Very high	97.7	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.8	173.5	-68.9	82.4	0	0	0	109.6	I129 A133 L160 F165 R166 V167 T168 L193	I129-L143 HydrophobicContact CG2-CD2 3.88Å; A133-L143 HydrophobicContact CB-CD1 4.19Å; A133-L143 HydrophobicContact CB-CD2 4.23Å; L143-L160 HydrophobicContact CD2-CD1 3.82Å; L143-F165 HydrophobicContact CD1-CB 4.1Å; L143-F165 HydrophobicContact CD1-CD1 3.56Å; L143-F165 HydrophobicContact CD1-CE1 4.36Å; L143-F165 HydrophobicContact CD1-CG 4.12Å; L143-R166 PolarHBondContact N-O 2.91Å; L143-V167 HydrophobicContact CB-CG2 4.35Å; L143-V167 CarbonylContact O-C 3.56Å; L143-V167 WeakPolarHBondContact O-CA 3.41Å; L143-T168 PolarHBondContact O-N 3.39Å; L143-L193 WeakPolarHBondContact CA-O 3.25Å; L143-L193 HydrophobicContact CD2-CB 4.36Å; L143-L193 HydrophobicContact CD2-CD2 4.14Å; L143-L193 HydrophobicContact CG-CB 4.3Å
144	V	98.8	Very high	97.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.6	173.6	-175.5	0	0	0	0	109	T168 L170 L183 A186 T191 L193 V194 S195	V144-T168 WeakPolarHBondContact CA-O 3.24Å; V144-L170 HydrophobicContact CG1-CD1 3.55Å; V144-L170 HydrophobicContact CG1-CG 3.82Å; V144-L183 HydrophobicContact CG1-CD1 3.89Å; V144-A186 HydrophobicContact CG1-CB 4.32Å; V144-A186 HydrophobicContact CG2-CB 4.38Å; V144-T191 HydrophobicContact CG2-CG2 4.14Å; V144-L193 PolarHBondContact N-O 3.15Å; V144-V194 HydrophobicContact CB-CG2 4.29Å; V144-V194 CarbonylContact O-C 3.48Å; V144-V194 WeakPolarHBondContact O-CA 3.37Å; V144-S195 PolarHBondContact O-N 3.38Å
145	T	98.8	Very high	97.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-176.9	174.3	-161.6	0	0	0	0	110.5	E149 V167 T168 Y169 L170 S195	T145-E149 VanDerWaalsContact OG1-CG 3.28Å; T145-E149 WeakPolarHBondContact OG1-CG 3.41Å; T145-V167 HydrophobicContact CG2-CG1 4.09Å; T145-T168 PolarHBondContact N-O 2.89Å; T145-Y169 HydrophobicContact CG2-CD1 3.48Å; T145-Y169 VanDerWaalsContact CG2-CD1 3.48Å; T145-Y169 HydrophobicContact CG2-CE1 3.66Å; T145-Y169 HydrophobicContact CG2-CG 4.32Å; T145-L170 PolarHBondContact O-N 2.87Å; T145-S195 VanDerWaalsContact CA-O 3.28Å; T145-S195 WeakPolarHBondContact CA-O 3.38Å; T145-S195 WeakPolarHBondContact CB-O 3.39Å; T145-S195 PolarHBondContact OG1-O 3.35Å
146	T	98.7	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	158	-178.3	81.2	0	0	0	0	111.3	T148 E149 L154 L170 I178 V196	T146-T148 PolarHBondContact O-N 2.91Å; T146-T148 PolarHBondContact OG1-N 3.29Å; T146-T148 PolarHBondContact OG1-OG1 2.86Å; T146-E149 WeakPolarHBondContact OG1-CG 3.3Å; T146-E149 PolarHBondContact OG1-N 3.49Å; T146-E149 PolarHBondContact OG1-OE1 3.31Å; T146-L154 WeakPolarHBondContact O-CD2 3.41Å; T146-L170 WeakPolarHBondContact CA-O 3.35Å; T146-I178 HydrophobicContact CG2-CG2 3.54Å; T146-V196 HydrophobicContact CG2-CB 4.33Å; T146-V196 HydrophobicContact CG2-CG1 3.98Å; T146-V196 HydrophobicContact CG2-CG2 3.83Å
147	Q	98.2	Very high	97.8	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.6	174.7	-69.1	172.2	14.8	0	0	113.4	Y169 L170 A388	Q147-Y169 PolarHBondContact NE2-O 2.95Å; Q147-Y169 VanDerWaalsContact NE2-O 3.13Å; Q147-L170 WeakPolarHBondContact CG-O 3.27Å; Q147-L170 PolarHBondContact N-O 3.19Å; Q147-A388 HydrophobicContact CB-CB 4.04Å
148	T	97.8	Very high	97.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	6	-175.4	57.7	0	0	0	0	113.8	T146 V172 N200 V385 A388	T146-T148 PolarHBondContact O-N 2.91Å; T146-T148 PolarHBondContact OG1-N 3.29Å; T146-T148 PolarHBondContact OG1-OG1 2.86Å; T148-V172 HydrophobicContact CG2-CB 4.48Å; T148-V172 HydrophobicContact CG2-CG1 4.03Å; T148-V172 HydrophobicContact CG2-CG2 3.6Å; T148-N200 PolarHBondContact O-ND2 3.33Å; T148-V385 HydrophobicContact CG2-CG1 4.05Å; T148-A388 HydrophobicContact CG2-CB 3.76Å
149	E	98.4	Very high	97.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-61.7	158.8	174.8	-63.8	-67.8	105.3	0	0	112.3	T145 T146 V153 L154 V196 M197 Y384	T145-E149 VanDerWaalsContact OG1-CG 3.28Å; T145-E149 WeakPolarHBondContact OG1-CG 3.41Å; T146-E149 WeakPolarHBondContact OG1-CG 3.3Å; T146-E149 PolarHBondContact OG1-N 3.49Å; T146-E149 PolarHBondContact OG1-OE1 3.31Å; E149-V153 HydrophobicContact CB-CB 3.8Å; E149-V153 HydrophobicContact CB-CG1 3.75Å; E149-V153 HydrophobicContact CB-CG2 4.44Å; E149-V153 HydrophobicContact CG-CB 4.25Å; E149-V153 HydrophobicContact CG-CG1 3.66Å; E149-L154 HydrophobicContact CB-CD2 4Å; E149-L154 HydrophobicContact CB-CG 4.14Å; E149-L154 WeakPolarHBondContact O-CD1 3.34Å; E149-V196 WeakPolarHBondContact OE1-CA 3.41Å; E149-M197 WeakPolarHBondContact OE1-CB 3.34Å; E149-M197 WeakPolarHBondContact OE1-CG 3.27Å; E149-M197 PolarHBondContact OE1-N 3.31Å; E149-M197 PolarHBondContact OE2-N 3.38Å; E149-Y384 WeakPolarHBondContact O-CE2 3.4Å; E149-Y384 PolarHBondContact O-OH 2.93Å
150	H	97.1	Very high	98.1	Very high	41 Å²	41	29.4 Å²	29.4	19%	0.19	14%	0.138	C	C	.	.			trans	-60.9	145.1	170.2	-169.8	-95.8	0	0	0	111.4	C152 V153 L154	H150-C152 PolarHBondContact ND1-N 3.35Å; H150-C152 PolarHBondContact ND1-SG 2.85Å; H150-C152 PolarHBondContact O-N 3.21Å; H150-V153 WeakPolarHBondContact O-CB 3.01Å; H150-V153 PolarHBondContact O-N 2.87Å; H150-L154 PolarHBondContact O-N 2.94Å
151	K	96.1	Very high	98.2	Very high	56 Å²	56	30.7 Å²	30.7	24%	0.243	14%	0.144	C	C	.	.	H	α-helix	trans	-46.3	-38.1	-178.2	-76	-71.8	-173.5	-179.8	0	114.5	V153 L154 D155 Y384	K151-V153 VanDerWaalsContact C-N 3.27Å; K151-V153 PolarHBondContact O-N 3.13Å; K151-L154 PolarHBondContact O-N 3.07Å; K151-D155 WeakPolarHBondContact O-CB 3.42Å; K151-D155 PolarHBondContact O-N 3.09Å; K151-Y384 HydrophobicContact CD-CE1 4.15Å; K151-Y384 VanDerWaalsContact CE-CE1 3.41Å; K151-Y384 HydrophobicContact CG-CE1 4.16Å
152	C	97.2	Very high	98.2	Very high	13 Å²	13	30.4 Å²	30.4	9%	0.088	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-24.5	179.7	61.5	0	0	0	0	114.4	T122 N125 H150 S156	T122-C152 HydrophobicContact CG2-CB 3.8Å; N125-C152 PolarHBondContact ND2-SG 2.83Å; H150-C152 PolarHBondContact ND1-N 3.35Å; H150-C152 PolarHBondContact ND1-SG 2.85Å; H150-C152 PolarHBondContact O-N 3.21Å; C152-S156 VanDerWaalsContact O-CB 3.27Å; C152-S156 WeakPolarHBondContact O-CB 3.28Å; C152-S156 PolarHBondContact O-N 3.31Å; C152-S156 PolarHBondContact O-OG 2.71Å
153	V	98.8	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-75.4	-52.2	168.5	170.5	0	0	0	0	109.5	N125 I129 E149 H150 K151 D155 S156 C157	N125-V153 HydrophobicContact CB-CG2 4.03Å; I129-V153 HydrophobicContact CD1-CB 3.9Å; I129-V153 HydrophobicContact CD1-CG1 3.61Å; I129-V153 HydrophobicContact CD1-CG2 3.85Å; E149-V153 HydrophobicContact CB-CB 3.8Å; E149-V153 HydrophobicContact CB-CG1 3.75Å; E149-V153 HydrophobicContact CB-CG2 4.44Å; E149-V153 HydrophobicContact CG-CB 4.25Å; E149-V153 HydrophobicContact CG-CG1 3.66Å; H150-V153 WeakPolarHBondContact O-CB 3.01Å; H150-V153 PolarHBondContact O-N 2.87Å; K151-V153 VanDerWaalsContact C-N 3.27Å; K151-V153 PolarHBondContact O-N 3.13Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-D155 PolarHBondContact O-N 3.42Å; V153-S156 WeakPolarHBondContact O-CB 3.22Å; V153-S156 PolarHBondContact O-N 2.84Å; V153-S156 VanDerWaalsContact O-N 3.13Å; V153-C157 PolarHBondContact O-N 2.99Å
154	L	98.4	Very high	98.2	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-56.7	-45.1	-179.5	-61.3	-179.3	0	0	0	112.1	T146 E149 H150 K151 C157 R158 Y169 Y384	T146-L154 WeakPolarHBondContact O-CD2 3.41Å; E149-L154 HydrophobicContact CB-CD2 4Å; E149-L154 HydrophobicContact CB-CG 4.14Å; E149-L154 WeakPolarHBondContact O-CD1 3.34Å; H150-L154 PolarHBondContact O-N 2.94Å; K151-L154 PolarHBondContact O-N 3.07Å; L154-C157 WeakPolarHBondContact O-CB 3.41Å; L154-C157 PolarHBondContact O-N 3.11Å; L154-R158 WeakPolarHBondContact O-CG 3.33Å; L154-R158 PolarHBondContact O-N 3.3Å; L154-Y169 HydrophobicContact CD2-CD1 3.88Å; L154-Y169 HydrophobicContact CD2-CE1 3.73Å; L154-Y169 PolarHBondContact O-OH 3.33Å; L154-Y384 HydrophobicContact CD1-CD2 3.99Å; L154-Y384 HydrophobicContact CD1-CE2 3.52Å
155	D	98	Very high	98.2	Very high	67 Å²	67	36.7 Å²	36.7	36%	0.358	20%	0.202	S	C	.	.	H	α-helix	trans	-72.1	-32	179.8	-67	-3.9	0	0	0	112.2	K151 V153 C157 R158 S159	K151-D155 WeakPolarHBondContact O-CB 3.42Å; K151-D155 PolarHBondContact O-N 3.09Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-D155 PolarHBondContact O-N 3.42Å; D155-C157 VanDerWaalsContact C-N 3.34Å; D155-R158 IonicContact OD1-CZ 2.84Å; D155-R158 VanDerWaalsContact OD1-CZ 3.28Å; D155-R158 IonicContact OD1-NE 3.77Å; D155-R158 PolarHBondContact OD1-NE 2.76Å; D155-R158 IonicContact OD1-NH2 3.9Å; D155-R158 PolarHBondContact OD1-NH2 3.47Å; D155-R158 IonicContact OD2-NH2 2.73Å; D155-S159 VanDerWaalsContact O-CB 3.31Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-N 3.23Å
156	S	98.7	Very high	98.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-42.6	170.8	-67.5	0	0	0	0	110.9	N126 C152 V153 L160	N126-S156 VanDerWaalsContact CG-OG 3.29Å; N126-S156 PolarHBondContact ND2-OG 3.28Å; N126-S156 PolarHBondContact OD1-OG 2.97Å; C152-S156 VanDerWaalsContact O-CB 3.27Å; C152-S156 WeakPolarHBondContact O-CB 3.28Å; C152-S156 PolarHBondContact O-N 3.31Å; C152-S156 PolarHBondContact O-OG 2.71Å; V153-S156 WeakPolarHBondContact O-CB 3.22Å; V153-S156 PolarHBondContact O-N 2.84Å; V153-S156 VanDerWaalsContact O-N 3.13Å; S156-L160 WeakPolarHBondContact O-CG 3.05Å; S156-L160 PolarHBondContact O-N 3.31Å; S156-L160 VanDerWaalsContact O-N 3.11Å
157	C	98.7	Very high	98.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-47.4	174.1	-74.3	0	0	0	0	112	V153 L154 D155 S159 L160 E161 V167 Y169	V153-C157 PolarHBondContact O-N 2.99Å; L154-C157 WeakPolarHBondContact O-CB 3.41Å; L154-C157 PolarHBondContact O-N 3.11Å; D155-C157 VanDerWaalsContact C-N 3.34Å; C157-S159 VanDerWaalsContact C-N 3.29Å; C157-S159 PolarHBondContact O-N 2.94Å; C157-L160 CarbonylContact O-C 3.51Å; C157-L160 WeakPolarHBondContact O-CA 3.31Å; C157-L160 WeakPolarHBondContact O-CB 3.32Å; C157-L160 PolarHBondContact O-N 2.85Å; C157-E161 PolarHBondContact O-N 3.28Å; C157-V167 HydrophobicContact CB-CG1 3.93Å; C157-V167 HydrophobicContact CB-CG2 4.08Å; C157-Y169 HydrophobicContact CB-CE1 4.03Å; C157-Y169 WeakPolarHBondContact CB-OH 3.28Å
158	R	98.5	Very high	98.2	Very high	139 Å²	139	41.7 Å²	41.7	53%	0.525	22%	0.224	S	C	.	.	H	α-helix	trans	-58.4	-40	176.6	-71.4	-167	-69.3	172.3	0.6	112.4	L154 D155 L160 E161 A162 Y169	L154-R158 WeakPolarHBondContact O-CG 3.33Å; L154-R158 PolarHBondContact O-N 3.3Å; D155-R158 IonicContact OD1-CZ 2.84Å; D155-R158 VanDerWaalsContact OD1-CZ 3.28Å; D155-R158 IonicContact OD1-NE 3.77Å; D155-R158 PolarHBondContact OD1-NE 2.76Å; D155-R158 IonicContact OD1-NH2 3.9Å; D155-R158 PolarHBondContact OD1-NH2 3.47Å; D155-R158 IonicContact OD2-NH2 2.73Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 2.61Å; R158-E161 WeakPolarHBondContact CA-OE2 3.49Å; R158-E161 PolarHBondContact O-N 2.88Å; R158-A162 PolarHBondContact O-N 2.96Å; R158-Y169 WeakPolarHBondContact CG-OH 3.46Å; R158-Y169 PolarHBondContact N-OH 3.01Å
159	S	98.5	Very high	98.2	Very high	45 Å²	45	44.3 Å²	44.3	32%	0.315	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-38.5	173.2	177.1	0	0	0	0	112.4	D155 C157 A162 E163	D155-S159 VanDerWaalsContact O-CB 3.31Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-N 3.23Å; C157-S159 VanDerWaalsContact C-N 3.29Å; C157-S159 PolarHBondContact O-N 2.94Å; S159-A162 PolarHBondContact O-N 3.48Å; S159-E163 PolarHBondContact O-N 2.91Å
160	L	98.6	Very high	98.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-73.1	-31.3	177.3	-72.5	171.5	0	0	0	112.4	I129 K130 A133 L143 S156 C157 R158 A162 E163 G164 F165	I129-L160 HydrophobicContact CG2-CD1 3.69Å; K130-L160 HydrophobicContact CG-CD1 4.4Å; K130-L160 HydrophobicContact CG-CD2 4.37Å; K130-L160 HydrophobicContact CG-CG 4.29Å; A133-L160 HydrophobicContact CB-CD1 3.62Å; A133-L160 HydrophobicContact CB-CD2 4.02Å; A133-L160 HydrophobicContact CB-CG 4.48Å; L143-L160 HydrophobicContact CD2-CD1 3.82Å; S156-L160 WeakPolarHBondContact O-CG 3.05Å; S156-L160 PolarHBondContact O-N 3.31Å; S156-L160 VanDerWaalsContact O-N 3.11Å; C157-L160 CarbonylContact O-C 3.51Å; C157-L160 WeakPolarHBondContact O-CA 3.31Å; C157-L160 WeakPolarHBondContact O-CB 3.32Å; C157-L160 PolarHBondContact O-N 2.85Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 2.61Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 3.31Å; L160-E163 CarbonylContact O-C 3.6Å; L160-E163 WeakPolarHBondContact O-CA 3.25Å; L160-E163 WeakPolarHBondContact O-CB 3.44Å; L160-E163 PolarHBondContact O-N 2.56Å; L160-G164 PolarHBondContact O-N 3.15Å; L160-F165 HydrophobicContact CB-CB 4.1Å; L160-F165 HydrophobicContact CB-CD2 4.02Å; L160-F165 HydrophobicContact CB-CG 4.21Å; L160-F165 HydrophobicContact CD2-CD2 3.89Å; L160-F165 HydrophobicContact CD2-CE2 3.87Å; L160-F165 WeakPolarHBondContact O-CB 3.44Å; L160-F165 WeakPolarHBondContact O-CD2 3.35Å; L160-F165 PolarHBondContact O-N 2.89Å
161	E	98.5	Very high	98.3	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-58.9	-43.2	171.7	-67.7	180	118	0	0	111	C157 R158 E163 G164 F165 V167 Y169	C157-E161 PolarHBondContact O-N 3.28Å; R158-E161 WeakPolarHBondContact CA-OE2 3.49Å; R158-E161 PolarHBondContact O-N 2.88Å; E161-E163 PolarHBondContact O-N 3.33Å; E161-G164 PolarHBondContact O-N 3.11Å; E161-F165 WeakPolarHBondContact CA-O 3.31Å; E161-V167 HydrophobicContact CG-CB 4.01Å; E161-V167 HydrophobicContact CG-CG2 3.57Å; E161-Y169 PolarHBondContact OE2-OH 2.78Å
162	A	98	Very high	98.4	Very high	93 Å²	93	43.5 Å²	43.5	77%	0.769	24%	0.237	S	C	*	.	H	α-helix	trans	-64.7	-23	173.2	0	0	0	0	0	113.6	R158 S159 L160 G164	R158-A162 PolarHBondContact O-N 2.96Å; S159-A162 PolarHBondContact O-N 3.48Å; L160-A162 VanDerWaalsContact C-N 3.29Å; L160-A162 PolarHBondContact O-N 3.31Å; A162-G164 VanDerWaalsContact C-N 3.28Å
163	E	98	Very high	98.4	Very high	79 Å²	79	47.3 Å²	47.3	37%	0.369	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.1	171.8	-67.3	174.8	-132.6	0	0	113	R134 S159 L160 E161 F165	R134-E163 IonicContact CZ-OE1 2.74Å; R134-E163 IonicContact CZ-OE2 3.68Å; R134-E163 IonicContact NE-OE1 3.53Å; R134-E163 IonicContact NE-OE2 3.32Å; R134-E163 PolarHBondContact NE-OE2 3.42Å; R134-E163 IonicContact NH2-OE1 2.61Å; R134-E163 PolarHBondContact NH2-OE1 2.93Å; R134-E163 IonicContact NH2-OE2 3.48Å; R134-E163 PolarHBondContact NH2-OE2 3.02Å; S159-E163 PolarHBondContact O-N 2.91Å; L160-E163 CarbonylContact O-C 3.6Å; L160-E163 WeakPolarHBondContact O-CA 3.25Å; L160-E163 WeakPolarHBondContact O-CB 3.44Å; L160-E163 PolarHBondContact O-N 2.56Å; E161-E163 PolarHBondContact O-N 3.33Å; E163-F165 HydrophobicContact CB-CD2 4.21Å; E163-F165 HydrophobicContact CB-CE2 4.45Å
164	G	97.8	Very high	98.3	Very high	45 Å²	45	55.8 Å²	55.8	46%	0.464	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	22.5	177.5	0	0	0	0	0	114.9	L160 E161 A162	L160-G164 PolarHBondContact O-N 3.15Å; E161-G164 PolarHBondContact O-N 3.11Å; A162-G164 VanDerWaalsContact C-N 3.28Å
165	F	98.6	Very high	98.3	Very high	13 Å²	13	56.1 Å²	56.1	6%	0.057	29%	0.294	C	S	.	.			trans	-83.2	155.4	163.6	-70.5	-99	0	0	0	110.5	A133 R137 K141 L143 L160 E161 E163	A133-F165 HydrophobicContact CB-CD1 4.21Å; A133-F165 HydrophobicContact CB-CE1 3.7Å; A133-F165 HydrophobicContact CB-CZ 3.85Å; A133-F165 WeakPolarHBondContact O-CE1 3.32Å; A133-F165 VanDerWaalsContact O-CZ 3.31Å; A133-F165 WeakPolarHBondContact O-CZ 3.4Å; R137-F165 HydrophobicContact CB-CE1 4.23Å; R137-F165 HydrophobicContact CB-CZ 3.7Å; K141-F165 HydrophobicContact CB-CD1 4.28Å; K141-F165 HydrophobicContact CG-CD1 4.42Å; K141-F165 HydrophobicContact CG-CE1 4.38Å; K141-F165 WeakPolarHBondContact O-CA 3.41Å; L143-F165 HydrophobicContact CD1-CB 4.1Å; L143-F165 HydrophobicContact CD1-CD1 3.56Å; L143-F165 HydrophobicContact CD1-CE1 4.36Å; L143-F165 HydrophobicContact CD1-CG 4.12Å; L160-F165 HydrophobicContact CB-CB 4.1Å; L160-F165 HydrophobicContact CB-CD2 4.02Å; L160-F165 HydrophobicContact CB-CG 4.21Å; L160-F165 HydrophobicContact CD2-CD2 3.89Å; L160-F165 HydrophobicContact CD2-CE2 3.87Å; L160-F165 WeakPolarHBondContact O-CB 3.44Å; L160-F165 WeakPolarHBondContact O-CD2 3.35Å; L160-F165 PolarHBondContact O-N 2.89Å; E161-F165 WeakPolarHBondContact CA-O 3.31Å; E163-F165 HydrophobicContact CB-CD2 4.21Å; E163-F165 HydrophobicContact CB-CE2 4.45Å
166	R	98.4	Very high	98.3	Very high	121 Å²	121	53 Å²	53	46%	0.457	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.4	168	-62.6	-176.3	-64.2	144.5	4.4	108.5	K141 H142 L143 D190	K141-R166 PolarHBondContact O-N 3.29Å; H142-R166 CarbonylContact C-O 3.58Å; H142-R166 WeakPolarHBondContact CA-O 3.49Å; H142-R166 PolarHBondContact CD2-O 2.76Å; L143-R166 PolarHBondContact N-O 2.91Å; R166-D190 IonicContact CZ-OD2 2.68Å; R166-D190 IonicContact NH2-OD1 3.08Å; R166-D190 PolarHBondContact NH2-OD1 2.99Å; R166-D190 IonicContact NH2-OD2 3.81Å; R166-D190 PolarHBondContact NH2-OD2 2.73Å
167	V	98.7	Very high	98.3	Very high	17 Å²	17	54 Å²	54	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.1	175.3	-173.9	0	0	0	0	109.7	L143 T145 C157 E161 Y169	L143-V167 HydrophobicContact CB-CG2 4.35Å; L143-V167 CarbonylContact O-C 3.56Å; L143-V167 WeakPolarHBondContact O-CA 3.41Å; T145-V167 HydrophobicContact CG2-CG1 4.09Å; C157-V167 HydrophobicContact CB-CG1 3.93Å; C157-V167 HydrophobicContact CB-CG2 4.08Å; E161-V167 HydrophobicContact CG-CB 4.01Å; E161-V167 HydrophobicContact CG-CG2 3.57Å; V167-Y169 HydrophobicContact CB-CD2 4.35Å; V167-Y169 HydrophobicContact CB-CE2 3.79Å; V167-Y169 HydrophobicContact CG1-CD1 4.47Å; V167-Y169 HydrophobicContact CG1-CD2 3.97Å; V167-Y169 HydrophobicContact CG1-CE1 4.15Å; V167-Y169 HydrophobicContact CG1-CE2 3.6Å; V167-Y169 HydrophobicContact CG1-CG 4.4Å
168	T	98.8	Very high	98.2	Very high	43 Å²	43	54.2 Å²	54.2	26%	0.264	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.3	167.8	-62.7	0	0	0	0	109.2	H142 L143 V144 T145 L170 A186	H142-T168 PolarHBondContact NE2-OG1 3.42Å; L143-T168 PolarHBondContact O-N 3.39Å; V144-T168 WeakPolarHBondContact CA-O 3.24Å; T145-T168 PolarHBondContact N-O 2.89Å; T168-L170 HydrophobicContact CG2-CD2 4.04Å; T168-L170 HydrophobicContact CG2-CG 4.39Å; T168-A186 HydrophobicContact CG2-CB 4.05Å
169	Y	98.7	Very high	98.2	Very high	57 Å²	57	50 Å²	50	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	93.9	173.8	-65.3	-89.2	0	0	0	109.8	T145 Q147 L154 C157 R158 E161 V167	T145-Y169 HydrophobicContact CG2-CD1 3.48Å; T145-Y169 VanDerWaalsContact CG2-CD1 3.48Å; T145-Y169 HydrophobicContact CG2-CE1 3.66Å; T145-Y169 HydrophobicContact CG2-CG 4.32Å; Q147-Y169 PolarHBondContact NE2-O 2.95Å; Q147-Y169 VanDerWaalsContact NE2-O 3.13Å; L154-Y169 HydrophobicContact CD2-CD1 3.88Å; L154-Y169 HydrophobicContact CD2-CE1 3.73Å; L154-Y169 PolarHBondContact O-OH 3.33Å; C157-Y169 HydrophobicContact CB-CE1 4.03Å; C157-Y169 WeakPolarHBondContact CB-OH 3.28Å; R158-Y169 WeakPolarHBondContact CG-OH 3.46Å; R158-Y169 PolarHBondContact N-OH 3.01Å; E161-Y169 PolarHBondContact OE2-OH 2.78Å; V167-Y169 HydrophobicContact CB-CD2 4.35Å; V167-Y169 HydrophobicContact CB-CE2 3.79Å; V167-Y169 HydrophobicContact CG1-CD1 4.47Å; V167-Y169 HydrophobicContact CG1-CD2 3.97Å; V167-Y169 HydrophobicContact CG1-CE1 4.15Å; V167-Y169 HydrophobicContact CG1-CE2 3.6Å; V167-Y169 HydrophobicContact CG1-CG 4.4Å
170	L	98.7	Very high	98.2	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.6	-178.6	-68.5	174.1	0	0	0	111.1	V144 T145 T146 Q147 T168 E182 L183 A186	V144-L170 HydrophobicContact CG1-CD1 3.55Å; V144-L170 HydrophobicContact CG1-CG 3.82Å; T145-L170 PolarHBondContact O-N 2.87Å; T146-L170 WeakPolarHBondContact CA-O 3.35Å; Q147-L170 WeakPolarHBondContact CG-O 3.27Å; Q147-L170 PolarHBondContact N-O 3.19Å; T168-L170 HydrophobicContact CG2-CD2 4.04Å; T168-L170 HydrophobicContact CG2-CG 4.39Å; L170-E182 HydrophobicContact CD2-CB 4.38Å; L170-L183 HydrophobicContact CD1-CB 3.89Å; L170-L183 HydrophobicContact CD1-CD1 3.75Å; L170-L183 HydrophobicContact CD1-CG 4.44Å; L170-A186 HydrophobicContact CD2-CB 3.85Å
171	P	98.2	Very high	98.2	Very high	52 Å²	52	58 Å²	58	34%	0.338	30%	0.303	S	S	.	.			trans	-66.2	169.5	166.8	33.4	-35.2	0	0	0	109.9	E182	P171-E182 VanDerWaalsContact CG-OE2 3.28Å; P171-E182 WeakPolarHBondContact CG-OE2 3.44Å
172	V	98.3	Very high	98.2	Very high	18 Å²	18	58.4 Å²	58.4	11%	0.109	31%	0.305	C	S	.	.			trans	-118.2	158.9	170.8	-68.6	0	0	0	0	109.3	T148 I178 A388 I389	T148-V172 HydrophobicContact CG2-CB 4.48Å; T148-V172 HydrophobicContact CG2-CG1 4.03Å; T148-V172 HydrophobicContact CG2-CG2 3.6Å; V172-I178 HydrophobicContact CG1-CG2 3.94Å; V172-A388 HydrophobicContact CG2-CB 4.42Å; V172-I389 HydrophobicContact CG2-CG2 3.74Å
173	Q	98	Very high	98.2	Very high	94 Å²	94	54 Å²	54	44%	0.439	27%	0.268	S	S	.	.			trans	-64.8	166.6	168.3	-62.1	178.7	-29.1	0	0	110	S175 G176 I177	Q173-S175 WeakPolarHBondContact CB-OG 3.07Å; Q173-S175 PolarHBondContact O-N 2.95Å; Q173-S175 PolarHBondContact OE1-OG 2.93Å; Q173-G176 WeakPolarHBondContact O-CA 3.35Å; Q173-G176 PolarHBondContact O-N 3.16Å; Q173-I177 WeakPolarHBondContact CB-O 3.27Å; Q173-I177 WeakPolarHBondContact CG-O 3.21Å; Q173-I177 PolarHBondContact N-O 3.47Å
174	K	96.9	Very high	98.2	Very high	178 Å²	178	54.1 Å²	54.1	77%	0.774	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.2	173.2	-63.4	-168.6	175	-170.5	0	113.6	G176 I389	K174-G176 PolarHBondContact O-N 3.32Å; K174-I389 WeakPolarHBondContact CA-O 3.47Å
175	S	97.3	Very high	98.2	Very high	25 Å²	25	56 Å²	56	18%	0.175	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.3	173.8	62.3	0	0	0	0	113.5	Q173 I177 V205 G338 D339	Q173-S175 WeakPolarHBondContact CB-OG 3.07Å; Q173-S175 PolarHBondContact O-N 2.95Å; Q173-S175 PolarHBondContact OE1-OG 2.93Å; S175-I177 VanDerWaalsContact C-N 3.27Å; S175-I177 PolarHBondContact OG-N 3.21Å; S175-V205 VanDerWaalsContact O-CG2 3.3Å; S175-V205 WeakPolarHBondContact O-CG2 3.48Å; S175-G338 CarbonylContact O-C 3.52Å; S175-G338 WeakPolarHBondContact O-CA 3.25Å; S175-D339 PolarHBondContact O-N 3.26Å
176	G	97.7	Very high	98.2	Very high	1 Å²	1	56 Å²	56	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	82.7	-4.3	-170.8	0	0	0	0	0	114.5	Q173 K174 Q207	Q173-G176 WeakPolarHBondContact O-CA 3.35Å; Q173-G176 PolarHBondContact O-N 3.16Å; K174-G176 PolarHBondContact O-N 3.32Å; G176-Q207 PolarHBondContact O-NE2 3.26Å
177	I	98.5	Very high	98.1	Very high	24 Å²	24	51.3 Å²	51.3	12%	0.123	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-86.4	140.7	179.8	-51.9	173.6	0	0	0	109.4	Q173 S175 V205 P208 D339 Q342	Q173-I177 WeakPolarHBondContact CB-O 3.27Å; Q173-I177 WeakPolarHBondContact CG-O 3.21Å; Q173-I177 PolarHBondContact N-O 3.47Å; S175-I177 VanDerWaalsContact C-N 3.27Å; S175-I177 PolarHBondContact OG-N 3.21Å; I177-V205 HydrophobicContact CG1-CG1 3.67Å; I177-P208 HydrophobicContact CG2-CG 4.47Å; I177-D339 HydrophobicContact CD1-CB 3.97Å; I177-D339 HydrophobicContact CG1-CB 4.41Å; I177-Q342 HydrophobicContact CD1-CB 3.76Å; I177-Q342 HydrophobicContact CD1-CG 4.02Å
178	I	98.1	Very high	98	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-69.3	149.3	174.4	64.6	168.7	0	0	0	111.7	T146 V172 L180 L183 V196 I212	T146-I178 HydrophobicContact CG2-CG2 3.54Å; V172-I178 HydrophobicContact CG1-CG2 3.94Å; I178-L180 HydrophobicContact CD1-CD2 4.08Å; I178-L180 HydrophobicContact CG1-CD2 4.33Å; I178-L183 HydrophobicContact CD1-CD2 3.99Å; I178-V196 HydrophobicContact CD1-CG1 4.41Å; I178-V196 HydrophobicContact CD1-CG2 4.33Å; I178-I212 HydrophobicContact CD1-CD1 3.48Å; I178-I212 VanDerWaalsContact CD1-CD1 3.48Å; I178-I212 HydrophobicContact CD1-CG1 3.85Å; I178-I212 HydrophobicContact CG1-CD1 4.36Å
179	D	98.4	Very high	97.8	Very high	51 Å²	51	57.6 Å²	57.6	27%	0.273	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-81.5	116	164.3	-169.7	-24.7	0	0	0	109.6	K181 E182 L183	D179-K181 PolarHBondContact O-N 3.44Å; D179-K181 WeakPolarHBondContact OD1-CB 3.29Å; D179-K181 PolarHBondContact OD1-N 2.77Å; D179-E182 HydrophobicContact CB-CB 4.16Å; D179-E182 HydrophobicContact CB-CG 3.98Å; D179-E182 PolarHBondContact O-N 3.46Å; D179-E182 VanDerWaalsContact O-N 3.17Å; D179-L183 PolarHBondContact O-N 3.03Å
180	L	98.3	Very high	97.7	Very high	48 Å²	48	56.7 Å²	56.7	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-29.1	178.7	-67.7	-179.5	0	0	0	112.7	I178 L183 E184 P208 E211 I212 I215	I178-L180 HydrophobicContact CD1-CD2 4.08Å; I178-L180 HydrophobicContact CG1-CD2 4.33Å; L180-L183 HydrophobicContact CD2-CD2 4.3Å; L180-L183 PolarHBondContact O-N 2.78Å; L180-E184 WeakPolarHBondContact O-CB 3.34Å; L180-E184 WeakPolarHBondContact O-CG 3.37Å; L180-E184 PolarHBondContact O-N 3.32Å; L180-P208 HydrophobicContact CD1-CG 4.39Å; L180-P208 HydrophobicContact CD2-CG 3.96Å; L180-P208 HydrophobicContact CG-CG 4.32Å; L180-E211 HydrophobicContact CD1-CB 3.79Å; L180-E211 HydrophobicContact CD1-CG 4.39Å; L180-I212 HydrophobicContact CD2-CG1 3.71Å; L180-I215 HydrophobicContact CB-CD1 4.29Å; L180-I215 HydrophobicContact CD2-CD1 4.06Å
181	K	98.1	Very high	97.7	Very high	165 Å²	165	56.2 Å²	56.2	72%	0.717	30%	0.299	S	S	*	.	H	α-helix	trans	-69.3	-39.5	176.1	-63.9	179.6	179.9	176	0	111.4	D179 E184 A185	D179-K181 PolarHBondContact O-N 3.44Å; D179-K181 WeakPolarHBondContact OD1-CB 3.29Å; D179-K181 PolarHBondContact OD1-N 2.77Å; K181-E184 PolarHBondContact O-N 3.36Å; K181-A185 WeakPolarHBondContact O-CB 3.42Å; K181-A185 PolarHBondContact O-N 2.93Å
182	E	98.1	Very high	97.7	Very high	87 Å²	87	53.8 Å²	53.8	41%	0.407	28%	0.283	S	S	.	.	H	α-helix	trans	-66.5	-40.6	174.7	-69.9	-170.9	-170	0	0	111.3	L170 P171 D179 E184 A185 A186	L170-E182 HydrophobicContact CD2-CB 4.38Å; P171-E182 VanDerWaalsContact CG-OE2 3.28Å; P171-E182 WeakPolarHBondContact CG-OE2 3.44Å; D179-E182 HydrophobicContact CB-CB 4.16Å; D179-E182 HydrophobicContact CB-CG 3.98Å; D179-E182 PolarHBondContact O-N 3.46Å; D179-E182 VanDerWaalsContact O-N 3.17Å; E182-E184 VanDerWaalsContact C-N 3.35Å; E182-E184 PolarHBondContact O-N 3.25Å; E182-A185 PolarHBondContact O-N 3.06Å; E182-A186 WeakPolarHBondContact O-CB 3.2Å; E182-A186 PolarHBondContact O-N 3.48Å
183	L	98.4	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-48.5	172.2	172.3	63	0	0	0	111.4	V144 L170 I178 D179 L180 A185 A186 I187 V194 I212 I215	V144-L183 HydrophobicContact CG1-CD1 3.89Å; L170-L183 HydrophobicContact CD1-CB 3.89Å; L170-L183 HydrophobicContact CD1-CD1 3.75Å; L170-L183 HydrophobicContact CD1-CG 4.44Å; I178-L183 HydrophobicContact CD1-CD2 3.99Å; D179-L183 PolarHBondContact O-N 3.03Å; L180-L183 HydrophobicContact CD2-CD2 4.3Å; L180-L183 PolarHBondContact O-N 2.78Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 3.31Å; L183-A186 PolarHBondContact O-N 2.93Å; L183-I187 WeakPolarHBondContact O-CG1 3.41Å; L183-I187 PolarHBondContact O-N 3.25Å; L183-V194 HydrophobicContact CD1-CG1 3.86Å; L183-V194 HydrophobicContact CD1-CG2 4.3Å; L183-I212 HydrophobicContact CD2-CB 4.36Å; L183-I212 HydrophobicContact CD2-CG1 3.92Å; L183-I212 HydrophobicContact CD2-CG2 3.94Å; L183-I215 HydrophobicContact CD2-CD1 4.42Å
184	E	97.8	Very high	97.7	Very high	83 Å²	83	48.5 Å²	48.5	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-38.2	177.4	-81.9	-165.1	-143.7	0	0	113.2	L180 K181 E182 I215 R219	L180-E184 WeakPolarHBondContact O-CB 3.34Å; L180-E184 WeakPolarHBondContact O-CG 3.37Å; L180-E184 PolarHBondContact O-N 3.32Å; K181-E184 PolarHBondContact O-N 3.36Å; E182-E184 VanDerWaalsContact C-N 3.35Å; E182-E184 PolarHBondContact O-N 3.25Å; E184-I215 HydrophobicContact CG-CD1 3.88Å; E184-I215 HydrophobicContact CG-CG1 4.1Å; E184-I215 HydrophobicContact CG-CG2 3.8Å; E184-R219 PolarHBondContact O-NH1 3.13Å; E184-R219 PolarHBondContact O-NH2 3.09Å; E184-R219 IonicContact OE2-NH2 3.02Å; E184-R219 PolarHBondContact OE2-NH2 3.47Å; E184-R219 VanDerWaalsContact OE2-NH2 3.09Å
185	A	97.9	Very high	97.8	Very high	84 Å²	84	40.1 Å²	40.1	69%	0.694	22%	0.221	S	C	*	.	H	α-helix	trans	-72.4	-32.4	177.7	0	0	0	0	0	112.8	K181 E182 L183 I187	K181-A185 WeakPolarHBondContact O-CB 3.42Å; K181-A185 PolarHBondContact O-N 2.93Å; E182-A185 PolarHBondContact O-N 3.06Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 3.31Å; A185-I187 VanDerWaalsContact C-N 3.29Å; A185-I187 PolarHBondContact O-N 3.5Å
186	A	98.1	Very high	97.9	Very high	14 Å²	14	39 Å²	39	12%	0.116	21%	0.213	C	C	.	.	H	α-helix	trans	-72.8	-20.8	178.8	0	0	0	0	0	113.3	H142 V144 T168 L170 E182 L183 Q188	H142-A186 PolarHBondContact CE1-O 3.42Å; V144-A186 HydrophobicContact CG1-CB 4.32Å; V144-A186 HydrophobicContact CG2-CB 4.38Å; T168-A186 HydrophobicContact CG2-CB 4.05Å; L170-A186 HydrophobicContact CD2-CB 3.85Å; E182-A186 WeakPolarHBondContact O-CB 3.2Å; E182-A186 PolarHBondContact O-N 3.48Å; L183-A186 PolarHBondContact O-N 2.93Å; A186-Q188 PolarHBondContact O-N 3Å
187	I	97.7	Very high	97.9	Very high	22 Å²	22	39 Å²	39	11%	0.113	21%	0.213	C	C	.	.			trans	-69.9	122.9	179.7	-73.4	164.1	0	0	0	111.1	L183 A185 I215 L221	L183-I187 WeakPolarHBondContact O-CG1 3.41Å; L183-I187 PolarHBondContact O-N 3.25Å; A185-I187 VanDerWaalsContact C-N 3.29Å; A185-I187 PolarHBondContact O-N 3.5Å; I187-I215 HydrophobicContact CD1-CG2 3.69Å; I187-L221 HydrophobicContact CB-CD1 4.27Å; I187-L221 HydrophobicContact CD1-CD1 3.68Å; I187-L221 HydrophobicContact CG1-CD1 3.71Å; I187-L221 HydrophobicContact CG2-CD1 3.57Å
188	Q	96	Very high	97.9	Very high	67 Å²	67	38 Å²	38	31%	0.313	21%	0.208	S	C	.	.			trans	-112.2	162.8	179.1	-66.6	173	44.3	0	0	111	A186 D190 T191	A186-Q188 PolarHBondContact O-N 3Å; Q188-D190 WeakPolarHBondContact CB-OD1 3.48Å; Q188-D190 PolarHBondContact O-N 2.97Å; Q188-T191 PolarHBondContact N-OG1 3.5Å; Q188-T191 VanDerWaalsContact O-CB 3.31Å; Q188-T191 WeakPolarHBondContact O-CB 3.3Å; Q188-T191 PolarHBondContact O-N 3.31Å; Q188-T191 PolarHBondContact O-OG1 3.35Å
189	P	95.2	Very high	98	Very high	125 Å²	125	37.8 Å²	37.8	81%	0.812	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.3	176.4	-27	35.9	0	0	0	114	K140	K140-P189 PolarHBondContact NZ-O 3.26Å
190	D	96.7	Very high	98	Very high	37 Å²	37	35.5 Å²	35.5	20%	0.198	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.4	178.5	76.5	-44.1	0	0	0	113.7	K140 K141 H142 R166 Q188 S192	K140-D190 CarbonylContact C-O 3.45Å; K140-D190 WeakPolarHBondContact CA-O 3.31Å; K140-D190 WeakPolarHBondContact CB-O 3.22Å; K141-D190 PolarHBondContact N-O 3.08Å; K141-D190 VanDerWaalsContact N-O 3.12Å; H142-D190 PolarHBondContact N-O 2.83Å; H142-D190 VanDerWaalsContact N-O 3.16Å; R166-D190 IonicContact CZ-OD2 2.68Å; R166-D190 IonicContact NH2-OD1 3.08Å; R166-D190 PolarHBondContact NH2-OD1 2.99Å; R166-D190 IonicContact NH2-OD2 3.81Å; R166-D190 PolarHBondContact NH2-OD2 2.73Å; Q188-D190 WeakPolarHBondContact CB-OD1 3.48Å; Q188-D190 PolarHBondContact O-N 2.97Å; D190-S192 PolarHBondContact O-N 2.98Å
191	T	98.2	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.2	171.1	-60.3	0	0	0	0	109.9	K140 H142 V144 Q188 L221	K140-T191 WeakPolarHBondContact CD-O 3.46Å; K140-T191 PolarHBondContact NZ-O 3.35Å; H142-T191 PolarHBondContact ND1-OG1 2.86Å; H142-T191 CarbonylContact O-C 3.4Å; H142-T191 VanDerWaalsContact O-CA 3.26Å; H142-T191 WeakPolarHBondContact O-CA 3.36Å; V144-T191 HydrophobicContact CG2-CG2 4.14Å; Q188-T191 PolarHBondContact N-OG1 3.5Å; Q188-T191 VanDerWaalsContact O-CB 3.31Å; Q188-T191 WeakPolarHBondContact O-CB 3.3Å; Q188-T191 PolarHBondContact O-N 3.31Å; Q188-T191 PolarHBondContact O-OG1 3.35Å; T191-L221 HydrophobicContact CG2-CD1 4.17Å; T191-L221 HydrophobicContact CG2-CD2 3.95Å; T191-L221 WeakPolarHBondContact O-CD2 3.26Å
192	S	97.1	Very high	97.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-37.4	173.7	47.9	0	0	0	0	114.2	H142 D190 Y222	H142-S192 PolarHBondContact O-N 3.29Å; H142-S192 PolarHBondContact O-OG 2.96Å; D190-S192 PolarHBondContact O-N 2.98Å; S192-Y222 PolarHBondContact O-N 3.44Å
193	L	98.6	Very high	97.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.5	-167.3	-176.1	67.8	0	0	0	110.5	I129 V132 L143 V144 Y222 H224 L245	I129-L193 HydrophobicContact CB-CD2 4.28Å; I129-L193 HydrophobicContact CG1-CD2 4.08Å; I129-L193 HydrophobicContact CG2-CD2 4.44Å; V132-L193 HydrophobicContact CB-CD2 4.43Å; V132-L193 HydrophobicContact CG1-CB 4.23Å; V132-L193 HydrophobicContact CG1-CD1 4.3Å; L143-L193 WeakPolarHBondContact CA-O 3.25Å; L143-L193 HydrophobicContact CD2-CB 4.36Å; L143-L193 HydrophobicContact CD2-CD2 4.14Å; L143-L193 HydrophobicContact CG-CB 4.3Å; V144-L193 PolarHBondContact N-O 3.15Å; L193-Y222 WeakPolarHBondContact CA-O 3.19Å; L193-H224 HydrophobicContact CD1-CB 3.84Å; L193-L245 HydrophobicContact CD1-CD1 4.25Å
194	V	98.8	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.5	160.7	176.6	0	0	0	0	107.6	V144 L183 V196 I212 L221 Y222 F223 H224	V144-V194 HydrophobicContact CB-CG2 4.29Å; V144-V194 CarbonylContact O-C 3.48Å; V144-V194 WeakPolarHBondContact O-CA 3.37Å; L183-V194 HydrophobicContact CD1-CG1 3.86Å; L183-V194 HydrophobicContact CD1-CG2 4.3Å; V194-V196 HydrophobicContact CG1-CG2 3.94Å; V194-I212 HydrophobicContact CG1-CG2 4.22Å; V194-L221 HydrophobicContact CG2-CD1 4.26Å; V194-Y222 PolarHBondContact N-O 2.93Å; V194-F223 HydrophobicContact CB-CD2 4.46Å; V194-F223 HydrophobicContact CG1-CD2 4.36Å; V194-H224 PolarHBondContact O-N 3.05Å
195	S	98.9	Very high	97.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.5	174.9	-176.3	0	0	0	0	110.5	V144 T145 H224	V144-S195 PolarHBondContact O-N 3.38Å; T145-S195 VanDerWaalsContact CA-O 3.28Å; T145-S195 WeakPolarHBondContact CA-O 3.38Å; T145-S195 WeakPolarHBondContact CB-O 3.39Å; T145-S195 PolarHBondContact OG1-O 3.35Å; S195-H224 WeakPolarHBondContact CA-O 3.48Å; S195-H224 PolarHBondContact OG-ND1 3.17Å
196	V	98.9	Very high	97.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.093	C	C	.	.			trans	-135.6	123.9	177	-178.4	0	0	0	0	108.9	T146 E149 I178 V194 Q207 I209 I212 F223 H224 T225	T146-V196 HydrophobicContact CG2-CB 4.33Å; T146-V196 HydrophobicContact CG2-CG1 3.98Å; T146-V196 HydrophobicContact CG2-CG2 3.83Å; E149-V196 WeakPolarHBondContact OE1-CA 3.41Å; I178-V196 HydrophobicContact CD1-CG1 4.41Å; I178-V196 HydrophobicContact CD1-CG2 4.33Å; V194-V196 HydrophobicContact CG1-CG2 3.94Å; V196-Q207 HydrophobicContact CG1-CB 3.83Å; V196-Q207 HydrophobicContact CG1-CG 3.64Å; V196-I209 HydrophobicContact CG1-CD1 4.46Å; V196-I212 HydrophobicContact CB-CD1 4.11Å; V196-I212 HydrophobicContact CG1-CD1 3.84Å; V196-I212 HydrophobicContact CG2-CD1 4.29Å; V196-F223 HydrophobicContact CB-CE2 4.27Å; V196-H224 PolarHBondContact N-O 3.4Å; V196-H224 VanDerWaalsContact N-O 3.14Å; V196-T225 VanDerWaalsContact O-CA 3.28Å; V196-T225 WeakPolarHBondContact O-CA 3.37Å; V196-T225 VanDerWaalsContact O-CB 3.24Å; V196-T225 WeakPolarHBondContact O-CB 3.34Å; V196-T225 PolarHBondContact O-OG1 3.45Å; V196-T225 VanDerWaalsContact O-OG1 3.07Å
197	M	98.8	Very high	97.8	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.09	C	C	.	.			trans	-68.9	146.4	-179.3	72.2	-174.8	-44.7	0	0	112.6	E149 V199 N200 Q207 D226	E149-M197 WeakPolarHBondContact OE1-CB 3.34Å; E149-M197 WeakPolarHBondContact OE1-CG 3.27Å; E149-M197 PolarHBondContact OE1-N 3.31Å; E149-M197 PolarHBondContact OE2-N 3.38Å; M197-V199 VanDerWaalsContact CE-O 3.3Å; M197-V199 WeakPolarHBondContact CE-O 3.27Å; M197-N200 HydrophobicContact SD-CB 4.07Å; M197-N200 PolarHBondContact SD-ND2 2.85Å; M197-Q207 WeakPolarHBondContact O-CB 3.09Å; M197-Q207 VanDerWaalsContact O-CG 3.25Å; M197-Q207 WeakPolarHBondContact O-CG 3.45Å; M197-D226 CarbonylContact C-O 3.47Å; M197-D226 WeakPolarHBondContact CA-O 3.34Å; M197-D226 HydrophobicContact CB-CB 3.9Å
198	T	98.9	Very high	97.8	Very high	4 Å²	4	17 Å²	17	3%	0.025	9%	0.094	C	C	.	.	S	Bend	trans	-70.5	-48.1	-178.2	-49.3	0	0	0	0	112.5	K206 Q207 I209 T225 D226 A227 A230 I234 L236	T198-K206 WeakPolarHBondContact O-CA 3.47Å; T198-Q207 PolarHBondContact O-N 3.44Å; T198-Q207 VanDerWaalsContact O-N 3.08Å; T198-I209 HydrophobicContact CG2-CG1 3.98Å; T198-T225 PolarHBondContact N-OG1 3.08Å; T198-T225 PolarHBondContact OG1-OG1 2.96Å; T198-D226 PolarHBondContact N-O 2.86Å; T198-A227 WeakPolarHBondContact OG1-CB 3.28Å; T198-A230 HydrophobicContact CG2-CB 3.46Å; T198-A230 VanDerWaalsContact CG2-CB 3.46Å; T198-I234 HydrophobicContact CG2-CD1 3.84Å; T198-L236 HydrophobicContact CG2-CD2 3.91Å
199	V	98.6	Very high	98	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-136.1	122.7	-178.6	176.3	0	0	0	0	108.7	R58 M197 V205 K206 Q229 A230 I234 Y344	R58-V199 VanDerWaalsContact NH2-CG1 3.26Å; M197-V199 VanDerWaalsContact CE-O 3.3Å; M197-V199 WeakPolarHBondContact CE-O 3.27Å; V199-V205 CarbonylContact C-O 3.58Å; V199-V205 WeakPolarHBondContact CA-O 3.42Å; V199-K206 HydrophobicContact CG2-CG 3.95Å; V199-Q229 HydrophobicContact CB-CB 4.15Å; V199-Q229 HydrophobicContact CG1-CB 4.32Å; V199-Q229 WeakPolarHBondContact O-CB 3.48Å; V199-A230 HydrophobicContact CB-CB 4.11Å; V199-A230 HydrophobicContact CG2-CB 3.61Å; V199-I234 HydrophobicContact CG2-CD1 3.97Å; V199-Y344 HydrophobicContact CG1-CG 4.46Å
200	N	98.3	Very high	98.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.016	6%	0.058	C	C	.	.			trans	-63.2	138.7	178.8	-173.4	-85.5	0	0	0	112.4	R58 T148 M197 E202 I203 G204 V205	R58-N200 PolarHBondContact NH2-O 3.14Å; T148-N200 PolarHBondContact O-ND2 3.33Å; M197-N200 HydrophobicContact SD-CB 4.07Å; M197-N200 PolarHBondContact SD-ND2 2.85Å; N200-E202 WeakPolarHBondContact OD1-CA 3.37Å; N200-E202 WeakPolarHBondContact OD1-CB 3.19Å; N200-E202 PolarHBondContact OD1-N 2.78Å; N200-I203 HydrophobicContact CB-CG1 3.97Å; N200-I203 WeakPolarHBondContact OD1-CG1 3.1Å; N200-I203 PolarHBondContact OD1-N 3.26Å; N200-G204 WeakPolarHBondContact O-CA 3.41Å; N200-G204 PolarHBondContact O-N 3Å; N200-V205 PolarHBondContact N-O 2.78Å
201	N	96.9	Very high	98.2	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.021	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.5	-177.9	56.7	-77.4	0	0	0	114.1	Q229 R401	N201-Q229 HydrophobicContact CB-CG 3.75Å; N201-R401 WeakPolarHBondContact O-CD 3.46Å; N201-R401 PolarHBondContact O-NH1 2.81Å
202	E	95.9	Very high	98.2	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-48	-178.1	-63.6	-171.1	-140.8	0	0	112.7	N200 N349 S383 V385 R401	N200-E202 WeakPolarHBondContact OD1-CA 3.37Å; N200-E202 WeakPolarHBondContact OD1-CB 3.19Å; N200-E202 PolarHBondContact OD1-N 2.78Å; E202-N349 WeakPolarHBondContact O-CB 3.22Å; E202-N349 PolarHBondContact O-ND2 3.07Å; E202-S383 WeakPolarHBondContact OE2-CB 3.45Å; E202-S383 PolarHBondContact OE2-OG 3.13Å; E202-V385 HydrophobicContact CB-CB 4.45Å; E202-V385 HydrophobicContact CB-CG1 4.37Å; E202-V385 HydrophobicContact CG-CG2 4.28Å; E202-V385 VanDerWaalsContact OE1-CG2 3.3Å; E202-V385 WeakPolarHBondContact OE1-CG2 3.35Å; E202-R401 WeakPolarHBondContact O-CD 3.28Å; E202-R401 WeakPolarHBondContact O-CG 3.48Å
203	I	97	Very high	98.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	0.3	-173.6	63.4	169.4	0	0	0	113.9	N200 V205 N337 H343 N349 V385 L386 I389	N200-I203 HydrophobicContact CB-CG1 3.97Å; N200-I203 WeakPolarHBondContact OD1-CG1 3.1Å; N200-I203 PolarHBondContact OD1-N 3.26Å; I203-V205 HydrophobicContact CB-CG2 4.48Å; I203-V205 HydrophobicContact CD1-CB 4.2Å; I203-V205 HydrophobicContact CD1-CG2 3.57Å; I203-V205 HydrophobicContact CG1-CB 4.24Å; I203-V205 HydrophobicContact CG1-CG2 3.79Å; I203-V205 PolarHBondContact O-N 3.2Å; I203-N337 HydrophobicContact CG2-CB 3.9Å; I203-H343 PolarHBondContact O-CD2 2.91Å; I203-N349 HydrophobicContact CB-CB 4.46Å; I203-N349 HydrophobicContact CG2-CB 4.14Å; I203-V385 HydrophobicContact CD1-CG1 4.19Å; I203-V385 HydrophobicContact CG1-CG1 4.21Å; I203-V385 HydrophobicContact CG2-CG1 4.24Å; I203-L386 HydrophobicContact CG2-CD2 3.77Å; I203-I389 HydrophobicContact CD1-CG2 4.16Å
204	G	97.6	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.			trans	69.8	-0	172.8	0	0	0	0	0	116.5	N200 H343 Y344 C347	N200-G204 WeakPolarHBondContact O-CA 3.41Å; N200-G204 PolarHBondContact O-N 3Å; G204-H343 WeakPolarHBondContact O-CA 3.3Å; G204-H343 PolarHBondContact O-CD2 3.47Å; G204-Y344 PolarHBondContact O-N 3.35Å; G204-C347 PolarHBondContact N-SG 2.74Å
205	V	98.4	Very high	98.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-60.2	137.2	-179.6	175.2	0	0	0	0	111.2	S175 I177 V199 N200 I203 G338 Q342	S175-V205 VanDerWaalsContact O-CG2 3.3Å; S175-V205 WeakPolarHBondContact O-CG2 3.48Å; I177-V205 HydrophobicContact CG1-CG1 3.67Å; V199-V205 CarbonylContact C-O 3.58Å; V199-V205 WeakPolarHBondContact CA-O 3.42Å; N200-V205 PolarHBondContact N-O 2.78Å; I203-V205 HydrophobicContact CB-CG2 4.48Å; I203-V205 HydrophobicContact CD1-CB 4.2Å; I203-V205 HydrophobicContact CD1-CG2 3.57Å; I203-V205 HydrophobicContact CG1-CB 4.24Å; I203-V205 HydrophobicContact CG1-CG2 3.79Å; I203-V205 PolarHBondContact O-N 3.2Å; V205-G338 VanDerWaalsContact CG2-CA 3.47Å; V205-Q342 WeakPolarHBondContact CA-O 3.35Å
206	K	98.7	Very high	98.2	Very high	61 Å²	61	18.6 Å²	18.6	27%	0.265	10%	0.097	S	C	.	.	B	Isolated β-bridge	trans	-95.8	122.4	176.5	-67.9	164.3	63.8	-158.8	0	109.5	T198 V199 Q342	T198-K206 WeakPolarHBondContact O-CA 3.47Å; V199-K206 HydrophobicContact CG2-CG 3.95Å; K206-Q342 PolarHBondContact N-O 2.82Å
207	Q	98.8	Very high	98.2	Very high	13 Å²	13	21.3 Å²	21.3	6%	0.061	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-79.6	153.3	173	-62.8	-66	-3.8	0	0	110.8	G176 V196 M197 T198 I209 I212	G176-Q207 PolarHBondContact O-NE2 3.26Å; V196-Q207 HydrophobicContact CG1-CB 3.83Å; V196-Q207 HydrophobicContact CG1-CG 3.64Å; M197-Q207 WeakPolarHBondContact O-CB 3.09Å; M197-Q207 VanDerWaalsContact O-CG 3.25Å; M197-Q207 WeakPolarHBondContact O-CG 3.45Å; T198-Q207 PolarHBondContact O-N 3.44Å; T198-Q207 VanDerWaalsContact O-N 3.08Å; Q207-I209 HydrophobicContact CB-CD1 3.97Å; Q207-I209 HydrophobicContact CB-CG1 4.47Å; Q207-I209 PolarHBondContact O-N 2.91Å; Q207-I212 HydrophobicContact CB-CD1 4.39Å
208	P	98.4	Very high	98	Very high	29 Å²	29	25.1 Å²	25.1	19%	0.188	14%	0.143	C	C	.	.			trans	-76.3	70.2	178	32.6	-37.3	0	0	0	111.4	I177 L180 A210 E211 I212	I177-P208 HydrophobicContact CG2-CG 4.47Å; L180-P208 HydrophobicContact CD1-CG 4.39Å; L180-P208 HydrophobicContact CD2-CG 3.96Å; L180-P208 HydrophobicContact CG-CG 4.32Å; P208-A210 VanDerWaalsContact C-N 3.34Å; P208-A210 PolarHBondContact O-N 2.92Å; P208-E211 VanDerWaalsContact C-OE2 3.23Å; P208-E211 WeakPolarHBondContact CA-OE2 3.17Å; P208-E211 HydrophobicContact CB-CB 4.23Å; P208-E211 HydrophobicContact CB-CG 4.36Å; P208-E211 VanDerWaalsContact CB-OE2 3.28Å; P208-E211 WeakPolarHBondContact CB-OE2 3.37Å; P208-E211 PolarHBondContact O-N 2.99Å; P208-I212 HydrophobicContact CG-CD1 4.26Å; P208-I212 HydrophobicContact CG-CG1 4.47Å; P208-I212 WeakPolarHBondContact O-CD1 3.42Å; P208-I212 VanDerWaalsContact O-CG1 3.22Å; P208-I212 WeakPolarHBondContact O-CG1 3.31Å; P208-I212 PolarHBondContact O-N 2.93Å
209	I	98.7	Very high	97.8	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-36.6	-170.1	-64.2	-57.9	0	0	0	112.9	V196 T198 Q207 I212 G213 F223 T225 M241 I243	V196-I209 HydrophobicContact CG1-CD1 4.46Å; T198-I209 HydrophobicContact CG2-CG1 3.98Å; Q207-I209 HydrophobicContact CB-CD1 3.97Å; Q207-I209 HydrophobicContact CB-CG1 4.47Å; Q207-I209 PolarHBondContact O-N 2.91Å; I209-I212 HydrophobicContact CD1-CD1 4.3Å; I209-I212 PolarHBondContact O-N 2.93Å; I209-G213 PolarHBondContact O-N 3.45Å; I209-F223 HydrophobicContact CD1-CZ 3.86Å; I209-F223 HydrophobicContact CG2-CE1 3.65Å; I209-F223 HydrophobicContact CG2-CZ 3.85Å; I209-F223 WeakPolarHBondContact O-CE1 3.44Å; I209-T225 HydrophobicContact CG2-CG2 4.49Å; I209-M241 HydrophobicContact CG2-CB 4.29Å; I209-M241 HydrophobicContact CG2-SD 4.19Å; I209-I243 HydrophobicContact CG2-CD1 3.75Å; I209-I243 HydrophobicContact CG2-CG1 3.98Å
210	A	98.6	Very high	97.6	Very high	41 Å²	41	38.3 Å²	38.3	34%	0.339	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-41.1	179.7	0	0	0	0	0	111.7	P208 G213 Q214 M241	P208-A210 VanDerWaalsContact C-N 3.34Å; P208-A210 PolarHBondContact O-N 2.92Å; A210-G213 PolarHBondContact O-N 3.46Å; A210-Q214 PolarHBondContact O-N 3.36Å; A210-M241 HydrophobicContact CB-CG 4.31Å
211	E	98.6	Very high	97.5	Very high	99 Å²	99	38.5 Å²	38.5	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-66.3	-43	176.7	-62.7	81.2	173.3	0	0	111.1	L180 P208 G213 Q214 I215	L180-E211 HydrophobicContact CD1-CB 3.79Å; L180-E211 HydrophobicContact CD1-CG 4.39Å; P208-E211 VanDerWaalsContact C-OE2 3.23Å; P208-E211 WeakPolarHBondContact CA-OE2 3.17Å; P208-E211 HydrophobicContact CB-CB 4.23Å; P208-E211 HydrophobicContact CB-CG 4.36Å; P208-E211 VanDerWaalsContact CB-OE2 3.28Å; P208-E211 WeakPolarHBondContact CB-OE2 3.37Å; P208-E211 PolarHBondContact O-N 2.99Å; E211-G213 VanDerWaalsContact C-N 3.35Å; E211-G213 PolarHBondContact O-N 3.5Å; E211-Q214 WeakPolarHBondContact O-CB 3.43Å; E211-Q214 PolarHBondContact O-N 3.04Å; E211-I215 WeakPolarHBondContact O-CG1 3.5Å; E211-I215 PolarHBondContact O-N 3.01Å
212	I	98.7	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-44.7	173.5	-64.6	161.5	0	0	0	110.5	I178 L180 L183 V194 V196 Q207 P208 I209 Q214 I215 C216 F223	I178-I212 HydrophobicContact CD1-CD1 3.48Å; I178-I212 VanDerWaalsContact CD1-CD1 3.48Å; I178-I212 HydrophobicContact CD1-CG1 3.85Å; I178-I212 HydrophobicContact CG1-CD1 4.36Å; L180-I212 HydrophobicContact CD2-CG1 3.71Å; L183-I212 HydrophobicContact CD2-CB 4.36Å; L183-I212 HydrophobicContact CD2-CG1 3.92Å; L183-I212 HydrophobicContact CD2-CG2 3.94Å; V194-I212 HydrophobicContact CG1-CG2 4.22Å; V196-I212 HydrophobicContact CB-CD1 4.11Å; V196-I212 HydrophobicContact CG1-CD1 3.84Å; V196-I212 HydrophobicContact CG2-CD1 4.29Å; Q207-I212 HydrophobicContact CB-CD1 4.39Å; P208-I212 HydrophobicContact CG-CD1 4.26Å; P208-I212 HydrophobicContact CG-CG1 4.47Å; P208-I212 WeakPolarHBondContact O-CD1 3.42Å; P208-I212 VanDerWaalsContact O-CG1 3.22Å; P208-I212 WeakPolarHBondContact O-CG1 3.31Å; P208-I212 PolarHBondContact O-N 2.93Å; I209-I212 HydrophobicContact CD1-CD1 4.3Å; I209-I212 PolarHBondContact O-N 2.93Å; I212-Q214 VanDerWaalsContact C-N 3.31Å; I212-Q214 PolarHBondContact O-N 2.8Å; I212-I215 PolarHBondContact O-N 3Å; I212-C216 PolarHBondContact O-N 3.32Å; I212-C216 PolarHBondContact O-SG 2.95Å; I212-F223 HydrophobicContact CB-CE1 4.27Å; I212-F223 HydrophobicContact CB-CE2 4.35Å; I212-F223 HydrophobicContact CB-CZ 3.93Å; I212-F223 HydrophobicContact CG2-CD1 4.43Å; I212-F223 HydrophobicContact CG2-CD2 3.85Å; I212-F223 HydrophobicContact CG2-CE1 4.01Å; I212-F223 HydrophobicContact CG2-CE2 3.41Å; I212-F223 VanDerWaalsContact CG2-CE2 3.41Å; I212-F223 HydrophobicContact CG2-CG 4.35Å; I212-F223 HydrophobicContact CG2-CZ 3.48Å; I212-F223 VanDerWaalsContact CG2-CZ 3.48Å
213	G	98.6	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-39.4	176.1	0	0	0	0	0	112.6	I209 A210 E211 C216 S217	I209-G213 PolarHBondContact O-N 3.45Å; A210-G213 PolarHBondContact O-N 3.46Å; E211-G213 VanDerWaalsContact C-N 3.35Å; E211-G213 PolarHBondContact O-N 3.5Å; G213-C216 PolarHBondContact O-N 3.39Å; G213-S217 WeakPolarHBondContact O-CB 3.38Å; G213-S217 PolarHBondContact O-N 3.12Å
214	Q	98.3	Very high	97.8	Very high	104 Å²	104	40.5 Å²	40.5	49%	0.486	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-45.9	174.4	-176.6	62.5	29.4	0	0	112.1	A210 E211 I212 S217 S218	A210-Q214 PolarHBondContact O-N 3.36Å; E211-Q214 WeakPolarHBondContact O-CB 3.43Å; E211-Q214 PolarHBondContact O-N 3.04Å; I212-Q214 VanDerWaalsContact C-N 3.31Å; I212-Q214 PolarHBondContact O-N 2.8Å; Q214-S217 PolarHBondContact O-N 3.22Å; Q214-S218 WeakPolarHBondContact O-CB 3.28Å; Q214-S218 PolarHBondContact O-N 3.24Å; Q214-S218 PolarHBondContact O-OG 3.47Å
215	I	98.3	Very high	97.8	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.077	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-51.5	176.2	-68.3	161.1	0	0	0	110.1	L180 L183 E184 I187 E211 I212 S217 S218 R219	L180-I215 HydrophobicContact CB-CD1 4.29Å; L180-I215 HydrophobicContact CD2-CD1 4.06Å; L183-I215 HydrophobicContact CD2-CD1 4.42Å; E184-I215 HydrophobicContact CG-CD1 3.88Å; E184-I215 HydrophobicContact CG-CG1 4.1Å; E184-I215 HydrophobicContact CG-CG2 3.8Å; I187-I215 HydrophobicContact CD1-CG2 3.69Å; E211-I215 WeakPolarHBondContact O-CG1 3.5Å; E211-I215 PolarHBondContact O-N 3.01Å; I212-I215 PolarHBondContact O-N 3Å; I215-S217 PolarHBondContact O-N 2.75Å; I215-S218 PolarHBondContact O-N 2.9Å; I215-S218 PolarHBondContact O-OG 2.65Å; I215-R219 PolarHBondContact O-N 2.77Å
216	C	98.2	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-46.7	-179.7	-69.1	0	0	0	0	112.3	I212 G213 S218 R219 K220 L221 F223	I212-C216 PolarHBondContact O-N 3.32Å; I212-C216 PolarHBondContact O-SG 2.95Å; G213-C216 PolarHBondContact O-N 3.39Å; C216-S218 PolarHBondContact O-N 3.19Å; C216-R219 CarbonylContact O-C 3.49Å; C216-R219 PolarHBondContact O-N 2.82Å; C216-K220 PolarHBondContact O-N 2.98Å; C216-L221 HydrophobicContact CB-CB 4.24Å; C216-L221 PolarHBondContact O-N 3Å; C216-F223 HydrophobicContact CB-CB 3.85Å
217	S	96.9	Very high	97.9	Very high	58 Å²	58	37.9 Å²	37.9	41%	0.406	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-43.9	179.6	-171.1	0	0	0	0	111.9	G213 Q214 I215 R219 K220	G213-S217 WeakPolarHBondContact O-CB 3.38Å; G213-S217 PolarHBondContact O-N 3.12Å; Q214-S217 PolarHBondContact O-N 3.22Å; I215-S217 PolarHBondContact O-N 2.75Å; S217-R219 PolarHBondContact O-N 2.86Å; S217-K220 PolarHBondContact O-N 2.77Å; S217-K220 VanDerWaalsContact O-N 3.14Å
218	S	96.3	Very high	97.9	Very high	83 Å²	83	37.6 Å²	37.6	58%	0.58	19%	0.194	S	C	*	.	H	α-helix	trans	-61.7	-30.5	178.6	75.2	0	0	0	0	113.1	Q214 I215 C216	Q214-S218 WeakPolarHBondContact O-CB 3.28Å; Q214-S218 PolarHBondContact O-N 3.24Å; Q214-S218 PolarHBondContact O-OG 3.47Å; I215-S218 PolarHBondContact O-N 2.9Å; I215-S218 PolarHBondContact O-OG 2.65Å; C216-S218 PolarHBondContact O-N 3.19Å
219	R	94.8	Very high	97.9	Very high	92 Å²	92	36.5 Å²	36.5	35%	0.347	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	6.8	-179.8	-59.8	-174.6	-174.5	-159.1	7.4	113.5	E184 I215 C216 S217 L221	E184-R219 PolarHBondContact O-NH1 3.13Å; E184-R219 PolarHBondContact O-NH2 3.09Å; E184-R219 IonicContact OE2-NH2 3.02Å; E184-R219 PolarHBondContact OE2-NH2 3.47Å; E184-R219 VanDerWaalsContact OE2-NH2 3.09Å; I215-R219 PolarHBondContact O-N 2.77Å; C216-R219 CarbonylContact O-C 3.49Å; C216-R219 PolarHBondContact O-N 2.82Å; S217-R219 PolarHBondContact O-N 2.86Å; R219-L221 HydrophobicContact CB-CD1 4.15Å; R219-L221 HydrophobicContact CB-CG 4.03Å; R219-L221 PolarHBondContact O-N 2.87Å
220	K	94	Very high	97.9	Very high	189 Å²	189	36.1 Å²	36.1	82%	0.822	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.9	-177.3	-57	177	-178.5	173.8	0	112.6	C216 S217	C216-K220 PolarHBondContact O-N 2.98Å; S217-K220 PolarHBondContact O-N 2.77Å; S217-K220 VanDerWaalsContact O-N 3.14Å
221	L	95.2	Very high	97.9	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	17%	0.169	C	C	.	.			trans	-97.5	151.1	172.5	-60.5	176.4	0	0	0	110	I187 T191 V194 C216 R219	I187-L221 HydrophobicContact CB-CD1 4.27Å; I187-L221 HydrophobicContact CD1-CD1 3.68Å; I187-L221 HydrophobicContact CG1-CD1 3.71Å; I187-L221 HydrophobicContact CG2-CD1 3.57Å; T191-L221 HydrophobicContact CG2-CD1 4.17Å; T191-L221 HydrophobicContact CG2-CD2 3.95Å; T191-L221 WeakPolarHBondContact O-CD2 3.26Å; V194-L221 HydrophobicContact CG2-CD1 4.26Å; C216-L221 HydrophobicContact CB-CB 4.24Å; C216-L221 PolarHBondContact O-N 3Å; R219-L221 HydrophobicContact CB-CD1 4.15Å; R219-L221 HydrophobicContact CB-CG 4.03Å; R219-L221 PolarHBondContact O-N 2.87Å
222	Y	98.4	Very high	97.8	Very high	50 Å²	50	30 Å²	30	20%	0.196	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138.7	170.5	-62.9	-59.1	0	0	0	110.8	V132 Y136 S192 L193 V194 D244 V270	V132-Y222 HydrophobicContact CG1-CD2 3.92Å; Y136-Y222 HydrophobicContact CD2-CD2 4.33Å; Y136-Y222 AromaticContact CD2-CE2 3.92Å; Y136-Y222 HydrophobicContact CD2-CE2 3.92Å; Y136-Y222 AromaticContact CE1-CE2 3.95Å; Y136-Y222 HydrophobicContact CE1-CE2 3.95Å; Y136-Y222 AromaticContact CE2-CD2 3.95Å; Y136-Y222 HydrophobicContact CE2-CD2 3.95Å; Y136-Y222 AromaticContact CE2-CE2 3.3Å; Y136-Y222 HydrophobicContact CE2-CE2 3.3Å; Y136-Y222 AromaticContact CZ-CE2 3.32Å; Y136-Y222 AromaticContact CZ-CZ 3.72Å; Y136-Y222 WeakPolarHBondContact OH-CE2 3.43Å; Y136-Y222 VanDerWaalsContact OH-CZ 3.31Å; Y136-Y222 PolarHBondContact OH-OH 3.3Å; S192-Y222 PolarHBondContact O-N 3.44Å; L193-Y222 WeakPolarHBondContact CA-O 3.19Å; V194-Y222 PolarHBondContact N-O 2.93Å; Y222-D244 VanDerWaalsContact CA-OD2 3.31Å; Y222-D244 WeakPolarHBondContact CA-OD2 3.26Å; Y222-D244 HydrophobicContact CD1-CB 4.15Å; Y222-V270 HydrophobicContact CD1-CB 4.45Å; Y222-V270 HydrophobicContact CD1-CG1 4.08Å; Y222-V270 HydrophobicContact CD1-CG2 3.81Å; Y222-V270 HydrophobicContact CE1-CB 4.23Å; Y222-V270 HydrophobicContact CE1-CG1 4.17Å; Y222-V270 HydrophobicContact CE1-CG2 3.76Å; Y222-V270 HydrophobicContact CG-CG1 4.47Å
223	F	98.8	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116	176.2	179.3	-145.4	0	0	0	112	V194 V196 I209 I212 C216 I243 D244 L245	V194-F223 HydrophobicContact CB-CD2 4.46Å; V194-F223 HydrophobicContact CG1-CD2 4.36Å; V196-F223 HydrophobicContact CB-CE2 4.27Å; I209-F223 HydrophobicContact CD1-CZ 3.86Å; I209-F223 HydrophobicContact CG2-CE1 3.65Å; I209-F223 HydrophobicContact CG2-CZ 3.85Å; I209-F223 WeakPolarHBondContact O-CE1 3.44Å; I212-F223 HydrophobicContact CB-CE1 4.27Å; I212-F223 HydrophobicContact CB-CE2 4.35Å; I212-F223 HydrophobicContact CB-CZ 3.93Å; I212-F223 HydrophobicContact CG2-CD1 4.43Å; I212-F223 HydrophobicContact CG2-CD2 3.85Å; I212-F223 HydrophobicContact CG2-CE1 4.01Å; I212-F223 HydrophobicContact CG2-CE2 3.41Å; I212-F223 VanDerWaalsContact CG2-CE2 3.41Å; I212-F223 HydrophobicContact CG2-CG 4.35Å; I212-F223 HydrophobicContact CG2-CZ 3.48Å; I212-F223 VanDerWaalsContact CG2-CZ 3.48Å; C216-F223 HydrophobicContact CB-CB 3.85Å; F223-I243 HydrophobicContact CD1-CG1 4.09Å; F223-I243 HydrophobicContact CE1-CG1 3.95Å; F223-D244 PolarHBondContact N-OD2 3.11Å; F223-D244 WeakPolarHBondContact O-CA 3.32Å; F223-D244 WeakPolarHBondContact O-CB 3.36Å; F223-D244 PolarHBondContact O-N 3.36Å; F223-L245 PolarHBondContact O-N 3.49Å
224	H	98.9	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139	169	169.6	-105.5	0	0	0	110.8	N125 A128 L193 V194 S195 V196 L245 S247	N125-H224 PolarHBondContact OD1-CE1 3.29Å; N125-H224 PolarHBondContact OD1-NE2 2.79Å; A128-H224 WeakPolarHBondContact CB-CD2 3.28Å; L193-H224 HydrophobicContact CD1-CB 3.84Å; V194-H224 PolarHBondContact O-N 3.05Å; S195-H224 WeakPolarHBondContact CA-O 3.48Å; S195-H224 PolarHBondContact OG-ND1 3.17Å; V196-H224 PolarHBondContact N-O 3.4Å; V196-H224 VanDerWaalsContact N-O 3.14Å; H224-L245 CarbonylContact C-O 3.55Å; H224-L245 VanDerWaalsContact CA-O 3.28Å; H224-L245 WeakPolarHBondContact CA-O 3.29Å; H224-L245 HydrophobicContact CB-CB 4.11Å; H224-L245 HydrophobicContact CB-CD1 4.47Å; H224-S247 PolarHBondContact NE2-OG 3.41Å
225	T	98.9	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.3	167.3	174.7	0	0	0	0	111.8	V196 T198 I209 A227 I243 L245 M246 S247	V196-T225 VanDerWaalsContact O-CA 3.28Å; V196-T225 WeakPolarHBondContact O-CA 3.37Å; V196-T225 VanDerWaalsContact O-CB 3.24Å; V196-T225 WeakPolarHBondContact O-CB 3.34Å; V196-T225 PolarHBondContact O-OG1 3.45Å; V196-T225 VanDerWaalsContact O-OG1 3.07Å; T198-T225 PolarHBondContact N-OG1 3.08Å; T198-T225 PolarHBondContact OG1-OG1 2.96Å; I209-T225 HydrophobicContact CG2-CG2 4.49Å; T225-A227 PolarHBondContact O-N 2.88Å; T225-I243 HydrophobicContact CG2-CD1 3.71Å; T225-I243 HydrophobicContact CG2-CG1 3.99Å; T225-I243 HydrophobicContact CG2-CG2 3.76Å; T225-L245 PolarHBondContact N-O 3.2Å; T225-M246 HydrophobicContact CG2-CB 4.27Å; T225-M246 HydrophobicContact CG2-CE 4.2Å; T225-M246 HydrophobicContact CG2-CG 4.15Å; T225-M246 WeakPolarHBondContact O-CA 3.49Å; T225-S247 PolarHBondContact O-N 3.49Å
226	D	98.9	Very high	97.8	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	106.2	164.4	-175.3	-9.6	0	0	0	109.3	N125 M197 T198 A228	N125-D226 PolarHBondContact ND2-OD2 2.97Å; M197-D226 CarbonylContact C-O 3.47Å; M197-D226 WeakPolarHBondContact CA-O 3.34Å; M197-D226 HydrophobicContact CB-CB 3.9Å; T198-D226 PolarHBondContact N-O 2.86Å; D226-A228 WeakPolarHBondContact OD1-CB 3.49Å; D226-A228 PolarHBondContact OD1-N 2.86Å
227	A	98.8	Very high	97.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.			trans	-106	13.8	-179.5	0	0	0	0	0	112.5	T198 T225 Q229 A230 V231 L236 M246 S247	T198-A227 WeakPolarHBondContact OG1-CB 3.28Å; T225-A227 PolarHBondContact O-N 2.88Å; A227-Q229 PolarHBondContact O-N 3.43Å; A227-A230 HydrophobicContact CB-CB 4.36Å; A227-A230 PolarHBondContact O-N 3.28Å; A227-V231 HydrophobicContact CB-CG2 3.75Å; A227-V231 WeakPolarHBondContact O-CG2 3.26Å; A227-V231 PolarHBondContact O-N 3.38Å; A227-L236 HydrophobicContact CB-CD1 4.16Å; A227-M246 HydrophobicContact CB-CE 4.37Å; A227-M246 HydrophobicContact CB-CG 3.49Å; A227-M246 VanDerWaalsContact CB-CG 3.49Å; A227-M246 HydrophobicContact CB-SD 3.72Å; A227-S247 CarbonylContact C-O 3.57Å; A227-S247 WeakPolarHBondContact CA-O 3.49Å; A227-S247 PolarHBondContact N-O 3.21Å; A227-S247 VanDerWaalsContact N-O 3.09Å
228	A	98.7	Very high	97.9	Very high	7 Å²	7	31 Å²	31	6%	0.058	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-33.2	-177.2	0	0	0	0	0	112.8	A121 D226 S247 K252	A121-A228 HydrophobicContact CB-CB 3.67Å; D226-A228 WeakPolarHBondContact OD1-CB 3.49Å; D226-A228 PolarHBondContact OD1-N 2.86Å; A228-S247 PolarHBondContact N-O 3.06Å; A228-K252 WeakPolarHBondContact O-CB 3.16Å
229	Q	98.5	Very high	98	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.028	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.5	-179.8	-73.8	-61.5	8.3	0	0	114.9	R58 V199 N201 A227 K233 K252	R58-Q229 VanDerWaalsContact CZ-CD 3.41Å; R58-Q229 PolarHBondContact NH1-O 3.33Å; R58-Q229 VanDerWaalsContact NH2-CB 3.32Å; R58-Q229 PolarHBondContact O-NE2 2.96Å; V199-Q229 HydrophobicContact CB-CB 4.15Å; V199-Q229 HydrophobicContact CG1-CB 4.32Å; V199-Q229 WeakPolarHBondContact O-CB 3.48Å; N201-Q229 HydrophobicContact CB-CG 3.75Å; A227-Q229 PolarHBondContact O-N 3.43Å; Q229-K233 WeakPolarHBondContact O-CD 3.17Å; Q229-K252 VanDerWaalsContact NE2-NZ 3.16Å
230	A	98.7	Very high	98.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-38.8	-173.3	0	0	0	0	0	113.1	T198 V199 A227 G232 K233 I234 L236	T198-A230 HydrophobicContact CG2-CB 3.46Å; T198-A230 VanDerWaalsContact CG2-CB 3.46Å; V199-A230 HydrophobicContact CB-CB 4.11Å; V199-A230 HydrophobicContact CG2-CB 3.61Å; A227-A230 HydrophobicContact CB-CB 4.36Å; A227-A230 PolarHBondContact O-N 3.28Å; A230-G232 PolarHBondContact O-N 3.46Å; A230-K233 WeakPolarHBondContact O-CB 3.29Å; A230-K233 PolarHBondContact O-N 2.99Å; A230-I234 HydrophobicContact CB-CD1 4.05Å; A230-I234 HydrophobicContact CB-CG1 4.06Å; A230-I234 PolarHBondContact O-N 3.14Å; A230-L236 HydrophobicContact CB-CD1 4.24Å
231	V	98.6	Very high	98.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	131.3	179.2	176.8	0	0	0	0	110	L107 I108 A227 K233 L236 M246 I248 L253	L107-V231 HydrophobicContact CD2-CG1 3.47Å; L107-V231 VanDerWaalsContact CD2-CG1 3.47Å; L107-V231 HydrophobicContact CG-CG1 4.34Å; I108-V231 HydrophobicContact CG2-CG2 4.47Å; A227-V231 HydrophobicContact CB-CG2 3.75Å; A227-V231 WeakPolarHBondContact O-CG2 3.26Å; A227-V231 PolarHBondContact O-N 3.38Å; V231-K233 VanDerWaalsContact C-N 3.3Å; V231-K233 PolarHBondContact O-N 3.49Å; V231-K233 PolarHBondContact O-NZ 2.88Å; V231-K233 VanDerWaalsContact O-NZ 3.07Å; V231-L236 HydrophobicContact CB-CD1 4.39Å; V231-L236 HydrophobicContact CG2-CD1 3.69Å; V231-M246 HydrophobicContact CG2-SD 4.2Å; V231-I248 HydrophobicContact CB-CG2 4.38Å; V231-I248 HydrophobicContact CG1-CG2 4.09Å; V231-I248 HydrophobicContact CG2-CD1 4.44Å; V231-I248 HydrophobicContact CG2-CG1 4.12Å; V231-I248 HydrophobicContact CG2-CG2 4.29Å; V231-L253 HydrophobicContact CG1-CD1 4.22Å
232	G	97.9	Very high	98.5	Very high	8 Å²	8	28.8 Å²	28.8	8%	0.082	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	6.2	-178.6	0	0	0	0	0	115.6	A230	A230-G232 PolarHBondContact O-N 3.46Å
233	K	98.4	Very high	98.6	Very high	21 Å²	21	26.4 Å²	26.4	9%	0.091	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-31.1	-173.9	-57.9	175.7	-163.6	65.5	0	113.7	Q229 A230 V231 K252 H313 Y344	Q229-K233 WeakPolarHBondContact O-CD 3.17Å; A230-K233 WeakPolarHBondContact O-CB 3.29Å; A230-K233 PolarHBondContact O-N 2.99Å; V231-K233 VanDerWaalsContact C-N 3.3Å; V231-K233 PolarHBondContact O-N 3.49Å; V231-K233 PolarHBondContact O-NZ 2.88Å; V231-K233 VanDerWaalsContact O-NZ 3.07Å; K233-K252 WeakPolarHBondContact CE-O 3.32Å; K233-K252 PolarHBondContact NZ-O 2.92Å; K233-H313 PolarHBondContact O-ND1 2.81Å; K233-H313 VanDerWaalsContact O-ND1 3.14Å; K233-Y344 HydrophobicContact CB-CD2 4.16Å; K233-Y344 HydrophobicContact CB-CE2 3.6Å; K233-Y344 HydrophobicContact CD-CE1 3.86Å; K233-Y344 HydrophobicContact CD-CE2 4.13Å; K233-Y344 HydrophobicContact CG-CE2 4.24Å
234	I	98.2	Very high	98.6	Very high	15 Å²	15	27 Å²	27	8%	0.077	15%	0.147	C	C	.	.	S	Bend	trans	-130.5	153.5	170.5	64	173.7	0	0	0	108.9	T198 V199 A230 L236 Y344	T198-I234 HydrophobicContact CG2-CD1 3.84Å; V199-I234 HydrophobicContact CG2-CD1 3.97Å; A230-I234 HydrophobicContact CB-CD1 4.05Å; A230-I234 HydrophobicContact CB-CG1 4.06Å; A230-I234 PolarHBondContact O-N 3.14Å; I234-L236 HydrophobicContact CD1-CD2 4.28Å; I234-L236 HydrophobicContact CG1-CD2 4.2Å; I234-L236 HydrophobicContact CG1-CG 4.39Å; I234-L236 PolarHBondContact O-N 3.34Å; I234-Y344 HydrophobicContact CG2-CD2 4.28Å
235	P	98.2	Very high	98.6	Very high	104 Å²	104	27 Å²	27	68%	0.675	15%	0.147	S	C	*	.			trans	-59.8	133.5	174.2	-23.1	34.2	0	0	0	110.9	M241 M309	P235-M241 WeakPolarHBondContact O-CE 3.49Å; P235-M309 HydrophobicContact CG-SD 4.37Å
236	L	98.7	Very high	98.6	Very high	14 Å²	14	27 Å²	27	7%	0.073	15%	0.147	C	C	.	.			trans	-134.4	126.5	174.5	-63.3	174.3	0	0	0	108	I108 T198 A227 A230 V231 I234 M241 M246	I108-L236 CarbonylContact C-O 3.28Å; I108-L236 WeakPolarHBondContact CA-O 3.4Å; T198-L236 HydrophobicContact CG2-CD2 3.91Å; A227-L236 HydrophobicContact CB-CD1 4.16Å; A230-L236 HydrophobicContact CB-CD1 4.24Å; V231-L236 HydrophobicContact CB-CD1 4.39Å; V231-L236 HydrophobicContact CG2-CD1 3.69Å; I234-L236 HydrophobicContact CD1-CD2 4.28Å; I234-L236 HydrophobicContact CG1-CD2 4.2Å; I234-L236 HydrophobicContact CG1-CG 4.39Å; I234-L236 PolarHBondContact O-N 3.34Å; L236-M241 HydrophobicContact CD2-CE 4.04Å; L236-M241 HydrophobicContact CD2-SD 3.85Å; L236-M246 HydrophobicContact CB-CE 4.41Å; L236-M246 HydrophobicContact CD1-CE 4.22Å; L236-M246 HydrophobicContact CD1-SD 4.25Å
237	D	98.7	Very high	98.6	Very high	45 Å²	45	26.7 Å²	26.7	24%	0.241	15%	0.146	C	C	.	.			trans	-129	117.6	168.3	-177.5	-74.2	0	0	0	107.8	I108 N239 D240 M241	I108-D237 WeakPolarHBondContact O-CA 3.19Å; D237-N239 PolarHBondContact O-N 3.32Å; D237-N239 WeakPolarHBondContact OD1-CA 3.06Å; D237-N239 VanDerWaalsContact OD1-CB 3.31Å; D237-N239 WeakPolarHBondContact OD1-CB 3.17Å; D237-N239 PolarHBondContact OD1-N 2.96Å; D237-D240 HydrophobicContact CB-CB 4.08Å; D237-D240 PolarHBondContact OD1-N 2.96Å; D237-M241 VanDerWaalsContact O-CB 3.26Å; D237-M241 WeakPolarHBondContact O-CB 3.32Å; D237-M241 VanDerWaalsContact O-CG 3.28Å; D237-M241 WeakPolarHBondContact O-CG 3.42Å; D237-M241 PolarHBondContact O-N 2.88Å
238	V	98.7	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.6	-175.3	-68.5	0	0	0	0	112.2	I108 A110 K242 I243 M246 Y263 R265	I108-V238 HydrophobicContact CB-CG1 4.34Å; I108-V238 HydrophobicContact CD1-CG1 3.93Å; I108-V238 HydrophobicContact CG1-CG1 4.31Å; I108-V238 PolarHBondContact O-N 2.87Å; A110-V238 HydrophobicContact CB-CG2 4.07Å; V238-K242 PolarHBondContact O-N 3.25Å; V238-K242 VanDerWaalsContact O-N 3.12Å; V238-I243 HydrophobicContact CB-CB 4.49Å; V238-I243 PolarHBondContact O-N 3.22Å; V238-M246 HydrophobicContact CG1-CE 3.94Å; V238-Y263 HydrophobicContact CB-CD1 4.42Å; V238-Y263 HydrophobicContact CB-CE1 3.84Å; V238-Y263 HydrophobicContact CB-CE2 4.23Å; V238-Y263 HydrophobicContact CG1-CD1 3.87Å; V238-Y263 HydrophobicContact CG1-CD2 4.26Å; V238-Y263 HydrophobicContact CG1-CE1 3.81Å; V238-Y263 HydrophobicContact CG1-CE2 4.18Å; V238-Y263 HydrophobicContact CG1-CG 4.11Å; V238-Y263 HydrophobicContact CG2-CE1 4.27Å; V238-Y263 HydrophobicContact CG2-CE2 3.81Å; V238-R265 VanDerWaalsContact C-NH2 3.29Å; V238-R265 PolarHBondContact O-NH2 2.75Å
239	N	98.2	Very high	98.6	Very high	76 Å²	76	26.7 Å²	26.7	41%	0.406	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-47.5	-176.8	-59.4	-52.5	0	0	0	111.5	G109 D237 M241 K242 R265	G109-N239 PolarHBondContact O-ND2 2.95Å; D237-N239 PolarHBondContact O-N 3.32Å; D237-N239 WeakPolarHBondContact OD1-CA 3.06Å; D237-N239 VanDerWaalsContact OD1-CB 3.31Å; D237-N239 WeakPolarHBondContact OD1-CB 3.17Å; D237-N239 PolarHBondContact OD1-N 2.96Å; N239-M241 VanDerWaalsContact C-N 3.28Å; N239-M241 PolarHBondContact O-N 3.39Å; N239-K242 PolarHBondContact O-N 2.96Å; N239-K242 VanDerWaalsContact O-N 3.15Å; N239-R265 PolarHBondContact OD1-NH1 2.89Å
240	D	98.1	Very high	98.6	Very high	129 Å²	129	26.4 Å²	26.4	69%	0.69	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-39.8	177.1	-68.8	-14.9	0	0	0	110.7	D237 K242	D237-D240 HydrophobicContact CB-CB 4.08Å; D237-D240 PolarHBondContact OD1-N 2.96Å; D240-K242 VanDerWaalsContact C-N 3.31Å; D240-K242 PolarHBondContact O-N 2.67Å
241	M	98.5	Very high	98.6	Very high	41 Å²	41	28.2 Å²	28.2	20%	0.202	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1	178.6	-60.9	-177.7	176	0	0	113.9	I209 A210 P235 L236 D237 N239 I243	I209-M241 HydrophobicContact CG2-CB 4.29Å; I209-M241 HydrophobicContact CG2-SD 4.19Å; A210-M241 HydrophobicContact CB-CG 4.31Å; P235-M241 WeakPolarHBondContact O-CE 3.49Å; L236-M241 HydrophobicContact CD2-CE 4.04Å; L236-M241 HydrophobicContact CD2-SD 3.85Å; D237-M241 VanDerWaalsContact O-CB 3.26Å; D237-M241 WeakPolarHBondContact O-CB 3.32Å; D237-M241 VanDerWaalsContact O-CG 3.28Å; D237-M241 WeakPolarHBondContact O-CG 3.42Å; D237-M241 PolarHBondContact O-N 2.88Å; N239-M241 VanDerWaalsContact C-N 3.28Å; N239-M241 PolarHBondContact O-N 3.39Å; M241-I243 HydrophobicContact CB-CD1 3.63Å; M241-I243 HydrophobicContact CB-CG1 3.83Å; M241-I243 HydrophobicContact CG-CD1 4.46Å; M241-I243 PolarHBondContact O-N 3.06Å; M241-I243 HydrophobicContact SD-CD1 4.09Å
242	K	98.5	Very high	98.6	Very high	78 Å²	78	29.3 Å²	29.3	34%	0.339	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.6	179.6	-60.8	178.9	-177.2	-62.1	0	113.8	V238 N239 D240	V238-K242 PolarHBondContact O-N 3.25Å; V238-K242 VanDerWaalsContact O-N 3.12Å; N239-K242 PolarHBondContact O-N 2.96Å; N239-K242 VanDerWaalsContact O-N 3.15Å; D240-K242 VanDerWaalsContact C-N 3.31Å; D240-K242 PolarHBondContact O-N 2.67Å
243	I	98.8	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.			trans	-81.6	136.7	179.5	-65.6	163.8	0	0	0	109.3	I209 F223 T225 V238 M241 L245 M246 Y263 R265	I209-I243 HydrophobicContact CG2-CD1 3.75Å; I209-I243 HydrophobicContact CG2-CG1 3.98Å; F223-I243 HydrophobicContact CD1-CG1 4.09Å; F223-I243 HydrophobicContact CE1-CG1 3.95Å; T225-I243 HydrophobicContact CG2-CD1 3.71Å; T225-I243 HydrophobicContact CG2-CG1 3.99Å; T225-I243 HydrophobicContact CG2-CG2 3.76Å; V238-I243 HydrophobicContact CB-CB 4.49Å; V238-I243 PolarHBondContact O-N 3.22Å; M241-I243 HydrophobicContact CB-CD1 3.63Å; M241-I243 HydrophobicContact CB-CG1 3.83Å; M241-I243 HydrophobicContact CG-CD1 4.46Å; M241-I243 PolarHBondContact O-N 3.06Å; M241-I243 HydrophobicContact SD-CD1 4.09Å; I243-L245 WeakPolarHBondContact CG2-O 3.49Å; I243-M246 HydrophobicContact CD1-CE 3.4Å; I243-M246 VanDerWaalsContact CD1-CE 3.4Å; I243-M246 HydrophobicContact CG2-CB 4.08Å; I243-M246 HydrophobicContact CG2-CE 4.46Å; I243-Y263 HydrophobicContact CG2-CD1 4.39Å; I243-Y263 HydrophobicContact CG2-CE1 4.47Å; I243-Y263 WeakPolarHBondContact O-CE1 3.5Å; I243-R265 PolarHBondContact O-NE 2.66Å; I243-R265 PolarHBondContact O-NH2 2.88Å
244	D	98.8	Very high	98.6	Very high	14 Å²	14	28.9 Å²	28.9	8%	0.075	15%	0.152	C	C	.	.	S	Bend	trans	-98.6	-35.6	176.7	-71.7	-58.9	0	0	0	112.4	Y222 F223 R265 V270	Y222-D244 VanDerWaalsContact CA-OD2 3.31Å; Y222-D244 WeakPolarHBondContact CA-OD2 3.26Å; Y222-D244 HydrophobicContact CD1-CB 4.15Å; F223-D244 PolarHBondContact N-OD2 3.11Å; F223-D244 WeakPolarHBondContact O-CA 3.32Å; F223-D244 WeakPolarHBondContact O-CB 3.36Å; F223-D244 PolarHBondContact O-N 3.36Å; D244-R265 WeakPolarHBondContact O-CB 3.24Å; D244-R265 PolarHBondContact O-N 2.83Å; D244-R265 WeakPolarHBondContact OD1-CD 3.39Å; D244-R265 IonicContact OD1-NE 3.65Å; D244-V270 HydrophobicContact CB-CG2 3.74Å
245	L	98.9	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.1	175.9	-51.9	95.5	0	0	0	110.9	A128 V132 L193 F223 H224 T225 I243 I262 Y263 V270 V272	A128-L245 HydrophobicContact CB-CB 4.3Å; A128-L245 HydrophobicContact CB-CD2 3.9Å; V132-L245 HydrophobicContact CG2-CD1 3.91Å; V132-L245 HydrophobicContact CG2-CD2 3.67Å; V132-L245 HydrophobicContact CG2-CG 4.49Å; L193-L245 HydrophobicContact CD1-CD1 4.25Å; F223-L245 PolarHBondContact O-N 3.49Å; H224-L245 CarbonylContact C-O 3.55Å; H224-L245 VanDerWaalsContact CA-O 3.28Å; H224-L245 WeakPolarHBondContact CA-O 3.29Å; H224-L245 HydrophobicContact CB-CB 4.11Å; H224-L245 HydrophobicContact CB-CD1 4.47Å; T225-L245 PolarHBondContact N-O 3.2Å; I243-L245 WeakPolarHBondContact CG2-O 3.49Å; L245-I262 HydrophobicContact CD2-CD1 4.3Å; L245-Y263 WeakPolarHBondContact CA-O 3.34Å; L245-V270 HydrophobicContact CD1-CG1 3.99Å; L245-V270 HydrophobicContact CD2-CG1 4.39Å; L245-V270 HydrophobicContact CG-CG1 4.21Å; L245-V272 HydrophobicContact CD2-CG2 3.74Å
246	M	98.9	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.1	176.2	-178.5	-171.9	-71.6	0	0	111.4	I108 T225 A227 V231 L236 V238 I243 I248 I262 Y263	I108-M246 HydrophobicContact CD1-SD 4.27Å; I108-M246 HydrophobicContact CG2-SD 4.12Å; T225-M246 HydrophobicContact CG2-CB 4.27Å; T225-M246 HydrophobicContact CG2-CE 4.2Å; T225-M246 HydrophobicContact CG2-CG 4.15Å; T225-M246 WeakPolarHBondContact O-CA 3.49Å; A227-M246 HydrophobicContact CB-CE 4.37Å; A227-M246 HydrophobicContact CB-CG 3.49Å; A227-M246 VanDerWaalsContact CB-CG 3.49Å; A227-M246 HydrophobicContact CB-SD 3.72Å; V231-M246 HydrophobicContact CG2-SD 4.2Å; L236-M246 HydrophobicContact CB-CE 4.41Å; L236-M246 HydrophobicContact CD1-CE 4.22Å; L236-M246 HydrophobicContact CD1-SD 4.25Å; V238-M246 HydrophobicContact CG1-CE 3.94Å; I243-M246 HydrophobicContact CD1-CE 3.4Å; I243-M246 VanDerWaalsContact CD1-CE 3.4Å; I243-M246 HydrophobicContact CG2-CB 4.08Å; I243-M246 HydrophobicContact CG2-CE 4.46Å; M246-I248 HydrophobicContact CG-CG1 4.49Å; M246-I262 CarbonylContact O-C 3.56Å; M246-I262 VanDerWaalsContact O-CA 3.31Å; M246-I262 WeakPolarHBondContact O-CA 3.33Å; M246-Y263 HydrophobicContact CB-CD1 4.24Å; M246-Y263 HydrophobicContact CB-CG 4.49Å; M246-Y263 PolarHBondContact N-O 3.22Å; M246-Y263 VanDerWaalsContact N-O 3.15Å; M246-Y263 PolarHBondContact O-N 2.96Å
247	S	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	136	176.4	-67.7	0	0	0	0	112.5	S124 N125 H224 T225 A227 A228	S124-S247 WeakPolarHBondContact CB-OG 3.48Å; N125-S247 PolarHBondContact N-OG 3.44Å; N125-S247 WeakPolarHBondContact OD1-CB 3.26Å; N125-S247 PolarHBondContact OD1-OG 3.4Å; H224-S247 PolarHBondContact NE2-OG 3.41Å; T225-S247 PolarHBondContact O-N 3.49Å; A227-S247 CarbonylContact C-O 3.57Å; A227-S247 WeakPolarHBondContact CA-O 3.49Å; A227-S247 PolarHBondContact N-O 3.21Å; A227-S247 VanDerWaalsContact N-O 3.09Å; A228-S247 PolarHBondContact N-O 3.06Å
248	I	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.9	-175.1	-49	-176.4	0	0	0	109.7	V104 I108 V231 M246 G260 A261	V104-I248 HydrophobicContact CG1-CD1 3.88Å; I108-I248 HydrophobicContact CD1-CD1 4.17Å; I108-I248 HydrophobicContact CG2-CD1 4.48Å; V231-I248 HydrophobicContact CB-CG2 4.38Å; V231-I248 HydrophobicContact CG1-CG2 4.09Å; V231-I248 HydrophobicContact CG2-CD1 4.44Å; V231-I248 HydrophobicContact CG2-CG1 4.12Å; V231-I248 HydrophobicContact CG2-CG2 4.29Å; M246-I248 HydrophobicContact CG-CG1 4.49Å; I248-G260 WeakPolarHBondContact O-CA 3.36Å; I248-A261 HydrophobicContact CB-CB 4.27Å; I248-A261 HydrophobicContact CD1-CB 4.44Å; I248-A261 PolarHBondContact N-O 3.04Å; I248-A261 PolarHBondContact O-N 3.41Å; I248-A261 VanDerWaalsContact O-N 3.08Å
249	S	98.8	Very high	98.7	Very high	6 Å²	6	29 Å²	29	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.3	179.2	-173	0	0	0	0	111.8	H251 K252 L253	S249-H251 PolarHBondContact O-N 2.95Å; S249-H251 PolarHBondContact OG-CD2 2.92Å; S249-H251 PolarHBondContact OG-NE2 3.17Å; S249-K252 PolarHBondContact O-N 3.49Å; S249-L253 WeakPolarHBondContact O-CD2 3.34Å
250	G	98.7	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-61.6	-44.2	-175.4	0	0	0	0	0	114.8	K252 L253 G255 V259	G250-K252 PolarHBondContact O-N 3.26Å; G250-K252 VanDerWaalsContact O-N 3.08Å; G250-L253 VanDerWaalsContact O-CD2 3.27Å; G250-L253 WeakPolarHBondContact O-CD2 3.21Å; G250-L253 PolarHBondContact O-N 3.02Å; G250-L253 VanDerWaalsContact O-N 3.14Å; G250-G255 CarbonylContact O-C 3.46Å; G250-G255 VanDerWaalsContact O-CA 3.24Å; G250-G255 WeakPolarHBondContact O-CA 3.17Å; G250-G255 PolarHBondContact O-N 3.29Å; G250-V259 PolarHBondContact N-O 3.11Å
251	H	98.6	Very high	98.7	Very high	39 Å²	39	19.3 Å²	19.3	18%	0.181	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-76.6	6.2	-175.7	81.1	109.8	0	0	0	115.2	A59 T60 T61 S249 G255 P256 K257	A59-H251 PolarHBondContact O-CE1 3.01Å; A59-H251 VanDerWaalsContact O-CE1 3.3Å; T60-H251 WeakPolarHBondContact CB-ND1 3.4Å; T60-H251 PolarHBondContact OG1-ND1 2.85Å; T60-H251 PolarHBondContact OG1-O 2.93Å; T61-H251 PolarHBondContact N-O 2.98Å; T61-H251 PolarHBondContact OG1-O 3.46Å; S249-H251 PolarHBondContact O-N 2.95Å; S249-H251 PolarHBondContact OG-CD2 2.92Å; S249-H251 PolarHBondContact OG-NE2 3.17Å; H251-G255 WeakPolarHBondContact CA-O 3.46Å; H251-P256 PolarHBondContact N-O 3.09Å; H251-K257 HydrophobicContact CB-CB 4.25Å; H251-K257 HydrophobicContact CB-CG 3.54Å
252	K	98.4	Very high	98.7	Very high	25 Å²	25	17.3 Å²	17.3	11%	0.109	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-101.7	-3.1	170.9	-57.4	-56.2	-178.9	87	0	112.5	R58 A59 A228 Q229 K233 S249 G250	R58-K252 WeakPolarHBondContact O-CE 3.35Å; R58-K252 PolarHBondContact O-NZ 3.42Å; A59-K252 WeakPolarHBondContact O-CE 3.41Å; A228-K252 WeakPolarHBondContact O-CB 3.16Å; Q229-K252 VanDerWaalsContact NE2-NZ 3.16Å; K233-K252 WeakPolarHBondContact CE-O 3.32Å; K233-K252 PolarHBondContact NZ-O 2.92Å; S249-K252 PolarHBondContact O-N 3.49Å; G250-K252 PolarHBondContact O-N 3.26Å; G250-K252 VanDerWaalsContact O-N 3.08Å
253	L	98.3	Very high	98.8	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.026	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	37.2	178.2	70.5	159.9	0	0	0	112.4	L107 V231 S249 G250 G255 L298 A301 A305	L107-L253 HydrophobicContact CD2-CD1 4.43Å; V231-L253 HydrophobicContact CG1-CD1 4.22Å; S249-L253 WeakPolarHBondContact O-CD2 3.34Å; G250-L253 VanDerWaalsContact O-CD2 3.27Å; G250-L253 WeakPolarHBondContact O-CD2 3.21Å; G250-L253 PolarHBondContact O-N 3.02Å; G250-L253 VanDerWaalsContact O-N 3.14Å; L253-G255 PolarHBondContact O-N 3.18Å; L253-L298 HydrophobicContact CD2-CD1 4.45Å; L253-A301 HydrophobicContact CD1-CB 4.36Å; L253-A301 HydrophobicContact CG-CB 4.2Å; L253-A305 HydrophobicContact CD1-CB 4.3Å
254	Y	98.8	Very high	98.8	Very high	15 Å²	15	14.4 Å²	14.4	6%	0.059	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	17.6	179	-42.5	-83.5	0	0	0	115.2	T61 P62 L63 D64 G405 R406 F407	T61-Y254 HydrophobicContact CG2-CD1 3.95Å; T61-Y254 HydrophobicContact CG2-CE1 3.68Å; T61-Y254 HydrophobicContact CG2-CG 4.44Å; T61-Y254 VanDerWaalsContact OG1-CA 3.23Å; T61-Y254 WeakPolarHBondContact OG1-CA 3.43Å; T61-Y254 PolarHBondContact OG1-N 2.78Å; P62-Y254 HydrophobicContact CG-CD1 4.32Å; P62-Y254 WeakPolarHBondContact O-CA 3.49Å; P62-Y254 WeakPolarHBondContact O-CD1 3.05Å; L63-Y254 WeakPolarHBondContact CA-O 3.32Å; D64-Y254 PolarHBondContact N-O 3.27Å; Y254-G405 VanDerWaalsContact OH-CA 3.23Å; Y254-G405 WeakPolarHBondContact OH-CA 3.42Å; Y254-R406 HydrophobicContact CD1-CB 4.49Å; Y254-R406 HydrophobicContact CD2-CB 4.47Å; Y254-R406 HydrophobicContact CE1-CB 3.79Å; Y254-R406 HydrophobicContact CE2-CB 3.77Å; Y254-R406 VanDerWaalsContact CZ-CB 3.41Å; Y254-R406 PolarHBondContact OH-N 3.39Å; Y254-F407 HydrophobicContact CD1-CD2 4.19Å; Y254-F407 AromaticContact CD1-CE2 3.73Å; Y254-F407 HydrophobicContact CD1-CE2 3.73Å; Y254-F407 HydrophobicContact CE1-CD2 4.14Å; Y254-F407 HydrophobicContact CE1-CE2 4.12Å
255	G	98.8	Very high	98.7	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.021	8%	0.079	C	C	.	.	S	Bend	trans	-90	-179.3	167.5	0	0	0	0	0	113.5	G250 H251 L253	G250-G255 CarbonylContact O-C 3.46Å; G250-G255 VanDerWaalsContact O-CA 3.24Å; G250-G255 WeakPolarHBondContact O-CA 3.17Å; G250-G255 PolarHBondContact O-N 3.29Å; H251-G255 WeakPolarHBondContact CA-O 3.46Å; L253-G255 PolarHBondContact O-N 3.18Å
256	P	98.8	Very high	98.7	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.058	9%	0.094	C	C	.	.			trans	-73.8	156.2	179.4	29.8	-33.6	0	0	0	113.1	L63 M71 H251 V259 L294	L63-P256 HydrophobicContact CD1-CB 3.95Å; M71-P256 HydrophobicContact CE-CB 3.88Å; M71-P256 HydrophobicContact CE-CG 3.87Å; M71-P256 HydrophobicContact SD-CB 4.08Å; M71-P256 HydrophobicContact SD-CG 3.82Å; H251-P256 PolarHBondContact N-O 3.09Å; P256-V259 HydrophobicContact CG-CG1 3.81Å; P256-L294 HydrophobicContact CB-CD2 4.04Å; P256-L294 HydrophobicContact CG-CB 4.47Å; P256-L294 HydrophobicContact CG-CD2 4.2Å
257	K	98.7	Very high	98.5	Very high	126 Å²	126	27.2 Å²	27.2	55%	0.548	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	158.2	166.9	-66.8	177	178.7	65.5	0	110.2	T60 H251 V259	T60-K257 WeakPolarHBondContact OG1-CE 3.48Å; T60-K257 PolarHBondContact OG1-NZ 3.31Å; H251-K257 HydrophobicContact CB-CB 4.25Å; H251-K257 HydrophobicContact CB-CG 3.54Å; K257-V259 VanDerWaalsContact C-N 3.34Å
258	G	98.5	Very high	98.4	Very high	44 Å²	44	32 Å²	32	45%	0.454	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	16.4	177	0	0	0	0	0	114.7	S119	S119-G258 CarbonylContact O-C 3.37Å; S119-G258 WeakPolarHBondContact O-CA 3.44Å
259	V	98.9	Very high	98.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.184	C	C	.	.			trans	-141.5	144.3	172.5	70.5	0	0	0	0	111.6	T118 S119 G250 P256 K257 L294 V295 L298	T118-V259 WeakPolarHBondContact O-CA 3.4Å; S119-V259 PolarHBondContact O-N 3.19Å; S119-V259 VanDerWaalsContact O-N 3.14Å; G250-V259 PolarHBondContact N-O 3.11Å; P256-V259 HydrophobicContact CG-CG1 3.81Å; K257-V259 VanDerWaalsContact C-N 3.34Å; V259-L294 HydrophobicContact CB-CB 3.83Å; V259-L294 HydrophobicContact CG1-CB 4.14Å; V259-L294 HydrophobicContact CG2-CB 4.12Å; V259-V295 HydrophobicContact CG2-CG1 4Å; V259-L298 HydrophobicContact CG1-CB 4.02Å; V259-L298 HydrophobicContact CG2-CB 4.32Å; V259-L298 HydrophobicContact CG2-CD2 4.09Å
260	G	98.8	Very high	98.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-172.2	172.4	0	0	0	0	0	110.4	T118 I248	T118-G260 PolarHBondContact N-O 3.35Å; T118-G260 PolarHBondContact O-N 2.79Å; I248-G260 WeakPolarHBondContact O-CA 3.36Å
261	A	98.9	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.1	170.4	0	0	0	0	0	110.1	V104 I115 I116 F117 S124 I248 L298	V104-A261 HydrophobicContact CG1-CB 4.3Å; I115-A261 HydrophobicContact CG2-CB 3.98Å; I116-A261 CarbonylContact O-C 3.59Å; I116-A261 WeakPolarHBondContact O-CA 3.26Å; F117-A261 HydrophobicContact CD1-CB 4.46Å; S124-A261 VanDerWaalsContact OG-C 3.25Å; S124-A261 PolarHBondContact OG-O 2.93Å; I248-A261 HydrophobicContact CB-CB 4.27Å; I248-A261 HydrophobicContact CD1-CB 4.44Å; I248-A261 PolarHBondContact N-O 3.04Å; I248-A261 PolarHBondContact O-N 3.41Å; I248-A261 VanDerWaalsContact O-N 3.08Å; A261-L298 HydrophobicContact CB-CD2 4.23Å
262	I	98.9	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.2	164.2	-175.9	179.8	0	0	0	107.9	I116 T118 I127 A128 L245 M246 I264	I116-I262 HydrophobicContact CB-CG2 3.7Å; I116-I262 HydrophobicContact CG2-CG2 4.03Å; I116-I262 PolarHBondContact N-O 3.02Å; I116-I262 PolarHBondContact O-N 3.24Å; T118-I262 HydrophobicContact CG2-CB 4.45Å; T118-I262 HydrophobicContact CG2-CG2 3.93Å; I127-I262 HydrophobicContact CB-CD1 4.28Å; I127-I262 HydrophobicContact CG2-CD1 3.94Å; A128-I262 HydrophobicContact CB-CD1 3.71Å; L245-I262 HydrophobicContact CD2-CD1 4.3Å; M246-I262 CarbonylContact O-C 3.56Å; M246-I262 VanDerWaalsContact O-CA 3.31Å; M246-I262 WeakPolarHBondContact O-CA 3.33Å; I262-I264 HydrophobicContact CD1-CD1 4.22Å; I262-I264 HydrophobicContact CD1-CG1 4.01Å; I262-I264 HydrophobicContact CG1-CG1 3.98Å; I262-I264 HydrophobicContact CG2-CD1 4.25Å; I262-I264 HydrophobicContact CG2-CG1 4.32Å
263	Y	98.9	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.4	164.6	166.3	-101.6	0	0	0	108.7	I108 A110 E114 I115 V238 I243 L245 M246 R265	I108-Y263 HydrophobicContact CD1-CD2 4.15Å; I108-Y263 HydrophobicContact CD1-CG 4.2Å; A110-Y263 HydrophobicContact CB-CD2 3.65Å; A110-Y263 HydrophobicContact CB-CE2 3.59Å; E114-Y263 HydrophobicContact CB-CD2 3.7Å; E114-Y263 HydrophobicContact CB-CE2 3.57Å; E114-Y263 HydrophobicContact CG-CE2 4.14Å; E114-Y263 CarbonylContact O-C 3.5Å; E114-Y263 WeakPolarHBondContact O-CA 3.4Å; E114-Y263 WeakPolarHBondContact OE2-CE2 3.13Å; I115-Y263 HydrophobicContact CD1-CD2 4.27Å; V238-Y263 HydrophobicContact CB-CD1 4.42Å; V238-Y263 HydrophobicContact CB-CE1 3.84Å; V238-Y263 HydrophobicContact CB-CE2 4.23Å; V238-Y263 HydrophobicContact CG1-CD1 3.87Å; V238-Y263 HydrophobicContact CG1-CD2 4.26Å; V238-Y263 HydrophobicContact CG1-CE1 3.81Å; V238-Y263 HydrophobicContact CG1-CE2 4.18Å; V238-Y263 HydrophobicContact CG1-CG 4.11Å; V238-Y263 HydrophobicContact CG2-CE1 4.27Å; V238-Y263 HydrophobicContact CG2-CE2 3.81Å; I243-Y263 HydrophobicContact CG2-CD1 4.39Å; I243-Y263 HydrophobicContact CG2-CE1 4.47Å; I243-Y263 WeakPolarHBondContact O-CE1 3.5Å; L245-Y263 WeakPolarHBondContact CA-O 3.34Å; M246-Y263 HydrophobicContact CB-CD1 4.24Å; M246-Y263 HydrophobicContact CB-CG 4.49Å; M246-Y263 PolarHBondContact N-O 3.22Å; M246-Y263 VanDerWaalsContact N-O 3.15Å; M246-Y263 PolarHBondContact O-N 2.96Å; Y263-R265 HydrophobicContact CE1-CB 3.9Å; Y263-R265 WeakPolarHBondContact OH-CB 3.28Å; Y263-R265 VanDerWaalsContact OH-CZ 3.24Å; Y263-R265 PolarHBondContact OH-NH2 3.21Å
264	I	98.7	Very high	98.1	Very high	16 Å²	16	46 Å²	46	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	109.2	173.9	-54.1	178.6	0	0	0	108.4	E114 I116 I262 R266 V270 V272 M285	E114-I264 WeakPolarHBondContact CB-O 3.46Å; E114-I264 PolarHBondContact O-N 2.97Å; I116-I264 HydrophobicContact CG1-CD1 4.18Å; I262-I264 HydrophobicContact CD1-CD1 4.22Å; I262-I264 HydrophobicContact CD1-CG1 4.01Å; I262-I264 HydrophobicContact CG1-CG1 3.98Å; I262-I264 HydrophobicContact CG2-CD1 4.25Å; I262-I264 HydrophobicContact CG2-CG1 4.32Å; I264-R266 PolarHBondContact O-N 3.45Å; I264-V270 HydrophobicContact CG2-CB 4.04Å; I264-V270 HydrophobicContact CG2-CG1 4.18Å; I264-V272 HydrophobicContact CD1-CG2 4.25Å; I264-V272 HydrophobicContact CG2-CG2 4.12Å; I264-M285 HydrophobicContact CD1-CE 4.01Å; I264-M285 HydrophobicContact CD1-CG 4.39Å
265	R	98.6	Very high	98.1	Very high	17 Å²	17	48 Å²	48	6%	0.064	23%	0.23	C	C	.	.			trans	-57.5	132.4	-177.1	-179.2	-179.1	-72	-71.5	-7.5	112.6	E114 V238 N239 I243 D244 Y263 R267 P268 V270	E114-R265 WeakPolarHBondContact OE1-CA 3.44Å; V238-R265 VanDerWaalsContact C-NH2 3.29Å; V238-R265 PolarHBondContact O-NH2 2.75Å; N239-R265 PolarHBondContact OD1-NH1 2.89Å; I243-R265 PolarHBondContact O-NE 2.66Å; I243-R265 PolarHBondContact O-NH2 2.88Å; D244-R265 WeakPolarHBondContact O-CB 3.24Å; D244-R265 PolarHBondContact O-N 2.83Å; D244-R265 WeakPolarHBondContact OD1-CD 3.39Å; D244-R265 IonicContact OD1-NE 3.65Å; Y263-R265 HydrophobicContact CE1-CB 3.9Å; Y263-R265 WeakPolarHBondContact OH-CB 3.28Å; Y263-R265 VanDerWaalsContact OH-CZ 3.24Å; Y263-R265 PolarHBondContact OH-NH2 3.21Å; R265-R267 WeakPolarHBondContact CD-O 3.44Å; R265-R267 WeakPolarHBondContact CG-O 3.41Å; R265-R267 PolarHBondContact NH1-O 3.46Å; R265-P268 WeakPolarHBondContact CG-O 3.18Å; R265-V270 HydrophobicContact CB-CG2 3.77Å; R265-V270 WeakPolarHBondContact O-CB 3.26Å; R265-V270 PolarHBondContact O-N 3.21Å
266	R	97.5	Very high	98.1	Very high	88 Å²	88	51.6 Å²	51.6	33%	0.332	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-23.6	177.2	-77.1	178.9	77	-139.3	1.3	113.7	R113 E114 I264 P268 R269	R113-R266 VanDerWaalsContact CD-NH1 3.32Å; E114-R266 HydrophobicContact CG-CB 4Å; E114-R266 HydrophobicContact CG-CG 3.77Å; E114-R266 PolarHBondContact OE1-N 3.23Å; I264-R266 PolarHBondContact O-N 3.45Å; R266-P268 CarbonylContact C-O 3.53Å; R266-R269 VanDerWaalsContact O-CA 3.25Å; R266-R269 WeakPolarHBondContact O-CA 3.43Å; R266-R269 WeakPolarHBondContact O-CB 3.22Å; R266-R269 PolarHBondContact O-N 2.82Å
267	R	95.8	Very high	98	Very high	178 Å²	178	56.8 Å²	56.8	67%	0.672	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	115.6	178.6	-68.6	-65.4	-178.1	-107.5	8.9	111.4	R265	R265-R267 WeakPolarHBondContact CD-O 3.44Å; R265-R267 WeakPolarHBondContact CG-O 3.41Å; R265-R267 PolarHBondContact NH1-O 3.46Å
268	P	95.3	Very high	98	Very high	100 Å²	100	53.7 Å²	53.7	65%	0.649	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	cis	-52.6	150.8	-17.9	24.1	-35.8	0	0	0	112.4	R265 R266 V270	R265-P268 WeakPolarHBondContact CG-O 3.18Å; R266-P268 CarbonylContact C-O 3.53Å; P268-V270 PolarHBondContact O-N 3.32Å
269	R	97.1	Very high	97.8	Very high	150 Å²	150	54.9 Å²	54.9	57%	0.566	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	118.2	-170.9	-172.9	179.8	-173.7	-178.3	-0.9	111.2	R266	R266-R269 VanDerWaalsContact O-CA 3.25Å; R266-R269 WeakPolarHBondContact O-CA 3.43Å; R266-R269 WeakPolarHBondContact O-CB 3.22Å; R266-R269 PolarHBondContact O-N 2.82Å
270	V	97.9	Very high	97.7	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.042	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-88.2	141.1	167.7	-175.5	0	0	0	0	109	Y222 D244 L245 I264 R265 P268 V272	Y222-V270 HydrophobicContact CD1-CB 4.45Å; Y222-V270 HydrophobicContact CD1-CG1 4.08Å; Y222-V270 HydrophobicContact CD1-CG2 3.81Å; Y222-V270 HydrophobicContact CE1-CB 4.23Å; Y222-V270 HydrophobicContact CE1-CG1 4.17Å; Y222-V270 HydrophobicContact CE1-CG2 3.76Å; Y222-V270 HydrophobicContact CG-CG1 4.47Å; D244-V270 HydrophobicContact CB-CG2 3.74Å; L245-V270 HydrophobicContact CD1-CG1 3.99Å; L245-V270 HydrophobicContact CD2-CG1 4.39Å; L245-V270 HydrophobicContact CG-CG1 4.21Å; I264-V270 HydrophobicContact CG2-CB 4.04Å; I264-V270 HydrophobicContact CG2-CG1 4.18Å; R265-V270 HydrophobicContact CB-CG2 3.77Å; R265-V270 WeakPolarHBondContact O-CB 3.26Å; R265-V270 PolarHBondContact O-N 3.21Å; P268-V270 PolarHBondContact O-N 3.32Å; V270-V272 HydrophobicContact CG1-CG2 4.14Å
271	R	97.4	Very high	97.6	Very high	95 Å²	95	58.9 Å²	58.9	36%	0.358	33%	0.328	S	S	.	.			trans	-121.8	141.7	175.1	-58	-67.9	-70.8	155.8	-5.8	109.4	F135 Y136	F135-R271 HydrophobicContact CD1-CB 3.6Å; F135-R271 HydrophobicContact CD2-CB 3.99Å; F135-R271 HydrophobicContact CE1-CB 3.3Å; F135-R271 HydrophobicContact CE1-CG 3.83Å; F135-R271 HydrophobicContact CE2-CB 3.72Å; F135-R271 HydrophobicContact CE2-CG 4.4Å; F135-R271 HydrophobicContact CG-CB 3.95Å; F135-R271 HydrophobicContact CZ-CB 3.37Å; F135-R271 HydrophobicContact CZ-CG 3.73Å; Y136-R271 HydrophobicContact CE2-CB 4.41Å; Y136-R271 VanDerWaalsContact CE2-O 3.28Å; Y136-R271 WeakPolarHBondContact CE2-O 3.42Å; Y136-R271 WeakPolarHBondContact OH-CB 3.45Å; Y136-R271 PolarHBondContact OH-N 2.86Å
272	V	98.1	Very high	97.6	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.048	33%	0.331	C	S	.	.			trans	-141.2	134.9	-173.9	178.9	0	0	0	0	105.8	I127 V132 L245 I264 V270 M285	I127-V272 HydrophobicContact CG2-CG1 3.97Å; I127-V272 WeakPolarHBondContact O-CG1 3.4Å; V132-V272 HydrophobicContact CG2-CG2 3.82Å; L245-V272 HydrophobicContact CD2-CG2 3.74Å; I264-V272 HydrophobicContact CD1-CG2 4.25Å; I264-V272 HydrophobicContact CG2-CG2 4.12Å; V270-V272 HydrophobicContact CG1-CG2 4.14Å; V272-M285 HydrophobicContact CB-CE 3.39Å; V272-M285 HydrophobicContact CB-SD 4.48Å; V272-M285 HydrophobicContact CG1-CE 3.55Å; V272-M285 WeakPolarHBondContact O-CE 3.46Å
273	E	98.1	Very high	97.4	Very high	77 Å²	77	66 Å²	66	36%	0.36	36%	0.355	S	S	.	.			trans	-76.8	130.6	170.4	-174.3	-179.4	112.8	0	0	109.4	G131 R134 F135	G131-E273 VanDerWaalsContact CA-O 3.29Å; G131-E273 WeakPolarHBondContact CA-O 3.44Å; G131-E273 PolarHBondContact O-N 3.48Å; R134-E273 HydrophobicContact CB-CB 4.35Å; F135-E273 HydrophobicContact CB-CB 4.34Å
274	A	98.2	Very high	97.3	Very high	34 Å²	34	67.7 Å²	67.7	28%	0.281	37%	0.373	S	S	.	.			trans	-71.5	132.6	177.8	0	0	0	0	0	110.8	G284 M285	A274-G284 VanDerWaalsContact CB-O 3.27Å; A274-G284 WeakPolarHBondContact CB-O 3.28Å; A274-M285 WeakPolarHBondContact CB-O 3.38Å
275	L	98.3	Very high	97.3	Very high	55 Å²	55	68 Å²	68	29%	0.288	37%	0.374	S	S	.	.	S	Bend	trans	-86.3	-36.2	177	-55	-175	0	0	0	112.2	N126 I127 K130	N126-L275 HydrophobicContact CB-CD1 4.09Å; N126-L275 WeakPolarHBondContact O-CD1 3.34Å; I127-L275 HydrophobicContact CG1-CD1 4.2Å; I127-L275 HydrophobicContact CG1-CG 4.4Å; K130-L275 HydrophobicContact CB-CD1 4.08Å; K130-L275 HydrophobicContact CB-CD2 3.94Å; K130-L275 HydrophobicContact CD-CD1 4.14Å
276	Q	98.2	Very high	97.2	Very high	79 Å²	79	68.7 Å²	68.7	37%	0.369	38%	0.377	S	S	.	.	S	Bend	trans	-95.1	105.4	-178.7	-173.9	157.7	-68.1	0	0	110.7	R286 S287	Q276-R286 VanDerWaalsContact NE2-CZ 3.32Å; Q276-S287 PolarHBondContact NE2-O 2.92Å; Q276-S287 WeakPolarHBondContact O-CB 3.31Å; Q276-S287 PolarHBondContact O-N 2.93Å; Q276-S287 PolarHBondContact O-OG 2.91Å
277	S	98.1	Very high	97.3	Very high	117 Å²	117	64.8 Å²	64.8	82%	0.818	36%	0.363	S	S	*	.			trans	-72.4	152.4	176.3	-66.5	0	0	0	0	112
278	G	97	Very high	97.4	Very high	62 Å²	62	57.6 Å²	57.6	64%	0.639	34%	0.344	S	S	*	.	S	Bend	trans	155.3	-151.3	179.3	0	0	0	0	0	112.3	G280 S287	G278-G280 PolarHBondContact O-N 2.89Å; G278-S287 VanDerWaalsContact CA-CB 3.48Å; G278-S287 WeakPolarHBondContact CA-OG 3.17Å; G278-S287 PolarHBondContact N-OG 2.75Å
279	G	96	Very high	97.5	Very high	69 Å²	69	57 Å²	57	71%	0.711	34%	0.339	S	S	*	.	S	Bend	trans	-72.4	9.5	-171.9	0	0	0	0	0	116.6	Q281	G279-Q281 PolarHBondContact O-N 3.45Å
280	G	96.1	Very high	97.6	Very high	37 Å²	37	50 Å²	50	38%	0.381	31%	0.313	S	S	.	.			trans	74.9	23.3	175.5	0	0	0	0	0	114.7	G278 G284 S287	G278-G280 PolarHBondContact O-N 2.89Å; G280-G284 PolarHBondContact O-N 2.96Å; G280-S287 PolarHBondContact N-OG 3Å
281	Q	97.2	Very high	97.6	Very high	47 Å²	47	52 Å²	52	22%	0.22	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	162.9	169.1	-66.2	77.5	20.9	0	0	111.3	H83 G279 R283 G284 R286 G288	H83-Q281 WeakPolarHBondContact CE1-CG 3.48Å; H83-Q281 WeakPolarHBondContact NE2-CG 3.39Å; G279-Q281 PolarHBondContact O-N 3.45Å; Q281-R283 VanDerWaalsContact C-N 3.29Å; Q281-R283 PolarHBondContact O-N 3.39Å; Q281-G284 PolarHBondContact O-N 3.49Å; Q281-R286 CarbonylContact C-O 3.48Å; Q281-R286 CarbonylContact O-C 3.56Å; Q281-G288 WeakPolarHBondContact CB-O 3.37Å; Q281-G288 WeakPolarHBondContact CG-O 3.42Å
282	E	97.9	Very high	97.7	Very high	14 Å²	14	47.9 Å²	47.9	7%	0.065	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	51.9	49.1	-177.2	-63	-64.2	98.8	0	0	112	R101 I116 F117 G284 M285 R286 V290	R101-E282 IonicContact CZ-OE1 3.61Å; R101-E282 IonicContact CZ-OE2 3.74Å; R101-E282 IonicContact NH1-OE1 2.87Å; R101-E282 IonicContact NH1-OE2 3.8Å; R101-E282 PolarHBondContact NH1-OE2 3.48Å; R101-E282 IonicContact NH2-OE1 3.68Å; R101-E282 PolarHBondContact NH2-OE1 3.3Å; R101-E282 IonicContact NH2-OE2 3.33Å; I116-E282 WeakPolarHBondContact CA-OE2 3.34Å; I116-E282 HydrophobicContact CD1-CB 4.25Å; I116-E282 HydrophobicContact CG2-CB 3.77Å; I116-E282 HydrophobicContact CG2-CG 4.19Å; F117-E282 PolarHBondContact N-OE2 3.29Å; E282-G284 PolarHBondContact O-N 3.08Å; E282-M285 VanDerWaalsContact O-CB 3.31Å; E282-M285 WeakPolarHBondContact O-CB 3.36Å; E282-M285 PolarHBondContact O-N 3.48Å; E282-R286 HydrophobicContact CB-CB 4.04Å; E282-R286 HydrophobicContact CG-CB 4.34Å; E282-V290 HydrophobicContact CG-CG2 4.18Å
283	R	96.1	Very high	97.7	Very high	136 Å²	136	48.7 Å²	48.7	51%	0.513	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	60.9	29.2	176.4	-46.7	172.6	-173.5	-80.6	-10.6	113.3	R113 I116 Q281 M285	R113-R283 PolarHBondContact O-NE 3.29Å; I116-R283 HydrophobicContact CD1-CG 4.41Å; Q281-R283 VanDerWaalsContact C-N 3.29Å; Q281-R283 PolarHBondContact O-N 3.39Å; R283-M285 VanDerWaalsContact C-N 3.27Å; R283-M285 PolarHBondContact O-N 3.3Å
284	G	96.6	Very high	97.7	Very high	36 Å²	36	47.3 Å²	47.3	37%	0.371	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	79	4	-176.8	0	0	0	0	0	114.5	A274 G280 Q281 E282	A274-G284 VanDerWaalsContact CB-O 3.27Å; A274-G284 WeakPolarHBondContact CB-O 3.28Å; G280-G284 PolarHBondContact O-N 2.96Å; Q281-G284 PolarHBondContact O-N 3.49Å; E282-G284 PolarHBondContact O-N 3.08Å
285	M	97.3	Very high	97.8	Very high	22 Å²	22	45.7 Å²	45.7	11%	0.108	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-30.9	-176.1	-68.2	-54.4	-42.6	0	0	113.6	I116 I264 V272 A274 E282 R283	I116-M285 HydrophobicContact CD1-CB 4.38Å; I116-M285 HydrophobicContact CG1-CB 4.27Å; I116-M285 HydrophobicContact CG2-CB 4.22Å; I264-M285 HydrophobicContact CD1-CE 4.01Å; I264-M285 HydrophobicContact CD1-CG 4.39Å; V272-M285 HydrophobicContact CB-CE 3.39Å; V272-M285 HydrophobicContact CB-SD 4.48Å; V272-M285 HydrophobicContact CG1-CE 3.55Å; V272-M285 WeakPolarHBondContact O-CE 3.46Å; A274-M285 WeakPolarHBondContact CB-O 3.38Å; E282-M285 VanDerWaalsContact O-CB 3.31Å; E282-M285 WeakPolarHBondContact O-CB 3.36Å; E282-M285 PolarHBondContact O-N 3.48Å; R283-M285 VanDerWaalsContact C-N 3.27Å; R283-M285 PolarHBondContact O-N 3.3Å
286	R	98.2	Very high	97.8	Very high	32 Å²	32	43.7 Å²	43.7	12%	0.121	29%	0.288	C	S	.	.	S	Bend	trans	-150.4	92.2	-176.3	-162.2	-77.1	178.2	174.2	3.7	109.1	I116 E123 I127 Q276 Q281 E282	I116-R286 HydrophobicContact CG2-CB 3.83Å; E123-R286 WeakPolarHBondContact OE1-CG 3.18Å; E123-R286 IonicContact OE1-CZ 3.58Å; E123-R286 IonicContact OE1-NE 2.75Å; E123-R286 PolarHBondContact OE1-NE 3.1Å; E123-R286 IonicContact OE1-NH2 3.51Å; E123-R286 PolarHBondContact OE1-NH2 3.45Å; E123-R286 IonicContact OE2-CZ 3.61Å; E123-R286 IonicContact OE2-NE 3.54Å; E123-R286 IonicContact OE2-NH2 2.81Å; E123-R286 PolarHBondContact OE2-NH2 3.06Å; E123-R286 VanDerWaalsContact OE2-NH2 3.08Å; I127-R286 HydrophobicContact CD1-CG 4.01Å; Q276-R286 VanDerWaalsContact NE2-CZ 3.32Å; Q281-R286 CarbonylContact C-O 3.48Å; Q281-R286 CarbonylContact O-C 3.56Å; E282-R286 HydrophobicContact CB-CB 4.04Å; E282-R286 HydrophobicContact CG-CB 4.34Å
287	S	98.1	Very high	97.8	Very high	6 Å²	6	40 Å²	40	4%	0.042	27%	0.271	C	S	.	.			trans	-67.2	161.1	179.4	-61.5	0	0	0	0	112.3	Q276 G278 G280	Q276-S287 PolarHBondContact NE2-O 2.92Å; Q276-S287 WeakPolarHBondContact O-CB 3.31Å; Q276-S287 PolarHBondContact O-N 2.93Å; Q276-S287 PolarHBondContact O-OG 2.91Å; G278-S287 VanDerWaalsContact CA-CB 3.48Å; G278-S287 WeakPolarHBondContact CA-OG 3.17Å; G278-S287 PolarHBondContact N-OG 2.75Å; G280-S287 PolarHBondContact N-OG 3Å
288	G	97.6	Very high	97.9	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	23%	0.232	S	C	.	.	S	Bend	trans	112.9	158.7	178.9	0	0	0	0	0	113.2	Q281 V290	Q281-G288 WeakPolarHBondContact CB-O 3.37Å; Q281-G288 WeakPolarHBondContact CG-O 3.42Å; G288-V290 PolarHBondContact O-N 2.75Å
289	T	98.2	Very high	98	Very high	87 Å²	87	31.4 Å²	31.4	53%	0.534	20%	0.201	S	C	.	.			trans	-60.4	132	178.5	-55.5	0	0	0	0	110.1	P291	T289-P291 WeakPolarHBondContact O-CD 3.27Å
290	V	98.5	Very high	98.1	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	17%	0.171	C	C	.	.			trans	-78.8	122.7	174.9	176.4	0	0	0	0	107	P82 H83 M97 F117 E282 G288 T292 V295	P82-V290 HydrophobicContact CG-CB 4.13Å; H83-V290 PolarHBondContact NE2-N 3.19Å; M97-V290 HydrophobicContact CG-CG1 3.98Å; M97-V290 HydrophobicContact SD-CB 3.75Å; M97-V290 HydrophobicContact SD-CG1 3.66Å; M97-V290 HydrophobicContact SD-CG2 3.85Å; F117-V290 HydrophobicContact CD2-CG1 4.01Å; E282-V290 HydrophobicContact CG-CG2 4.18Å; G288-V290 PolarHBondContact O-N 2.75Å; V290-T292 VanDerWaalsContact C-N 3.35Å; V290-T292 PolarHBondContact O-N 2.96Å; V290-V295 HydrophobicContact CG1-CB 4.44Å; V290-V295 HydrophobicContact CG1-CG1 3.64Å; V290-V295 HydrophobicContact CG1-CG2 3.97Å
291	P	98.5	Very high	98.2	Very high	49 Å²	49	26.9 Å²	26.9	32%	0.318	15%	0.154	S	C	.	.			trans	-77.3	84.3	-175.8	31	-34.6	0	0	0	110.2	T289 P293 L294 V295	T289-P291 WeakPolarHBondContact O-CD 3.27Å; P291-P293 VanDerWaalsContact C-CD 3.45Å; P291-P293 VanDerWaalsContact C-N 3.35Å; P291-P293 VanDerWaalsContact O-N 3.12Å; P291-L294 HydrophobicContact CB-CB 4.21Å; P291-L294 HydrophobicContact CB-CD1 3.95Å; P291-L294 HydrophobicContact CB-CG 4.09Å; P291-L294 HydrophobicContact CG-CB 4.14Å; P291-L294 HydrophobicContact CG-CD1 4.04Å; P291-L294 HydrophobicContact CG-CG 4.4Å; P291-L294 PolarHBondContact O-N 2.78Å; P291-V295 PolarHBondContact O-N 3.15Å; P291-V295 VanDerWaalsContact O-N 3.08Å
292	T	98.7	Very high	98.3	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-43	-48.8	-172.6	-54.9	0	0	0	0	114.4	Y74 P82 S93 A96 V290 L294 V295 V296	Y74-T292 HydrophobicContact CD1-CG2 3.91Å; Y74-T292 HydrophobicContact CE1-CG2 4.49Å; Y74-T292 HydrophobicContact CG-CG2 4.39Å; P82-T292 WeakPolarHBondContact CD-OG1 3.23Å; P82-T292 WeakPolarHBondContact CG-OG1 3.38Å; S93-T292 WeakPolarHBondContact OG-CB 3.43Å; S93-T292 WeakPolarHBondContact OG-CG2 3.16Å; S93-T292 PolarHBondContact OG-OG1 2.9Å; A96-T292 HydrophobicContact CB-CG2 4.14Å; V290-T292 VanDerWaalsContact C-N 3.35Å; V290-T292 PolarHBondContact O-N 2.96Å; T292-L294 VanDerWaalsContact C-N 3.32Å; T292-L294 PolarHBondContact O-N 3.47Å; T292-V295 WeakPolarHBondContact O-CG2 3.15Å; T292-V295 PolarHBondContact O-N 3.12Å; T292-V296 HydrophobicContact CG2-CG2 4.24Å; T292-V296 WeakPolarHBondContact O-CB 3.5Å; T292-V296 VanDerWaalsContact O-CG2 3.25Å; T292-V296 WeakPolarHBondContact O-CG2 3.38Å; T292-V296 PolarHBondContact O-N 3.19Å
293	P	98.8	Very high	98.4	Very high	26 Å²	26	27.9 Å²	27.9	17%	0.169	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-39.8	178.8	-22.7	33.7	0	0	0	113.1	M71 L75 P291 G297	M71-P293 WeakPolarHBondContact CG-O 3.43Å; L75-P293 HydrophobicContact CD2-CB 3.66Å; L75-P293 HydrophobicContact CD2-CG 3.73Å; L75-P293 HydrophobicContact CG-CB 3.94Å; L75-P293 HydrophobicContact CG-CG 4.23Å; P291-P293 VanDerWaalsContact C-CD 3.45Å; P291-P293 VanDerWaalsContact C-N 3.35Å; P291-P293 VanDerWaalsContact O-N 3.12Å; P293-G297 PolarHBondContact O-N 3.02Å
294	L	98.9	Very high	98.5	Very high	48 Å²	48	22.2 Å²	22.2	25%	0.251	14%	0.138	S	C	.	.	H	α-helix	trans	-72.1	-40.4	-178.7	-55.9	-176.8	0	0	0	111.7	M71 P256 V259 P291 T292 G297 L298	M71-L294 HydrophobicContact CE-CD2 3.93Å; P256-L294 HydrophobicContact CB-CD2 4.04Å; P256-L294 HydrophobicContact CG-CB 4.47Å; P256-L294 HydrophobicContact CG-CD2 4.2Å; V259-L294 HydrophobicContact CB-CB 3.83Å; V259-L294 HydrophobicContact CG1-CB 4.14Å; V259-L294 HydrophobicContact CG2-CB 4.12Å; P291-L294 HydrophobicContact CB-CB 4.21Å; P291-L294 HydrophobicContact CB-CD1 3.95Å; P291-L294 HydrophobicContact CB-CG 4.09Å; P291-L294 HydrophobicContact CG-CB 4.14Å; P291-L294 HydrophobicContact CG-CD1 4.04Å; P291-L294 HydrophobicContact CG-CG 4.4Å; P291-L294 PolarHBondContact O-N 2.78Å; T292-L294 VanDerWaalsContact C-N 3.32Å; T292-L294 PolarHBondContact O-N 3.47Å; L294-G297 PolarHBondContact O-N 2.9Å; L294-L298 PolarHBondContact O-N 3.44Å
295	V	98.9	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-37.5	177	-61	0	0	0	0	111.5	M97 A100 F117 V259 V290 P291 T292 G297 L298 G299	M97-V295 HydrophobicContact CB-CG2 4.44Å; M97-V295 HydrophobicContact CG-CG2 4.41Å; A100-V295 VanDerWaalsContact CB-O 3.23Å; A100-V295 WeakPolarHBondContact CB-O 3.37Å; F117-V295 HydrophobicContact CB-CG1 4.03Å; F117-V295 HydrophobicContact CD1-CB 4.1Å; F117-V295 HydrophobicContact CD1-CG1 3.59Å; F117-V295 HydrophobicContact CD2-CB 4.28Å; F117-V295 HydrophobicContact CD2-CG1 3.78Å; F117-V295 HydrophobicContact CE1-CB 3.86Å; F117-V295 HydrophobicContact CE1-CG1 3.9Å; F117-V295 HydrophobicContact CE2-CB 4.04Å; F117-V295 HydrophobicContact CE2-CG1 4.06Å; F117-V295 HydrophobicContact CE2-CG2 4.47Å; F117-V295 HydrophobicContact CG-CB 4.31Å; F117-V295 HydrophobicContact CG-CG1 3.52Å; F117-V295 HydrophobicContact CZ-CB 3.82Å; F117-V295 HydrophobicContact CZ-CG1 4.12Å; V259-V295 HydrophobicContact CG2-CG1 4Å; V290-V295 HydrophobicContact CG1-CB 4.44Å; V290-V295 HydrophobicContact CG1-CG1 3.64Å; V290-V295 HydrophobicContact CG1-CG2 3.97Å; P291-V295 PolarHBondContact O-N 3.15Å; P291-V295 VanDerWaalsContact O-N 3.08Å; T292-V295 WeakPolarHBondContact O-CG2 3.15Å; T292-V295 PolarHBondContact O-N 3.12Å; V295-G297 VanDerWaalsContact C-N 3.29Å; V295-G297 PolarHBondContact O-N 3.48Å; V295-L298 PolarHBondContact O-N 3.29Å; V295-G299 PolarHBondContact O-N 2.75Å
296	V	98.9	Very high	98.6	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.079	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-45	170.1	169	0	0	0	0	110.6	A70 Y74 A96 T292 L298 G299 A300	A70-V296 HydrophobicContact CB-CG1 4.23Å; A70-V296 VanDerWaalsContact O-CG1 3.3Å; A70-V296 WeakPolarHBondContact O-CG1 3.32Å; Y74-V296 HydrophobicContact CD2-CB 4.21Å; Y74-V296 HydrophobicContact CD2-CG1 3.89Å; Y74-V296 HydrophobicContact CD2-CG2 3.92Å; Y74-V296 HydrophobicContact CE1-CG2 4.46Å; Y74-V296 HydrophobicContact CE2-CB 4.29Å; Y74-V296 HydrophobicContact CE2-CG1 3.71Å; Y74-V296 HydrophobicContact CE2-CG2 3.81Å; Y74-V296 HydrophobicContact CG-CG2 4.29Å; A96-V296 HydrophobicContact CB-CG2 3.89Å; T292-V296 HydrophobicContact CG2-CG2 4.24Å; T292-V296 WeakPolarHBondContact O-CB 3.5Å; T292-V296 VanDerWaalsContact O-CG2 3.25Å; T292-V296 WeakPolarHBondContact O-CG2 3.38Å; T292-V296 PolarHBondContact O-N 3.19Å; V296-L298 VanDerWaalsContact C-N 3.35Å; V296-L298 PolarHBondContact O-N 2.96Å; V296-G299 PolarHBondContact O-N 2.97Å; V296-A300 WeakPolarHBondContact O-CB 3.49Å; V296-A300 PolarHBondContact O-N 3.31Å
297	G	98.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-40.1	175.5	0	0	0	0	0	113.4	V67 M71 P293 L294 V295 A301	V67-G297 VanDerWaalsContact CG1-O 3.25Å; V67-G297 WeakPolarHBondContact CG1-O 3.22Å; M71-G297 VanDerWaalsContact CG-CA 3.48Å; P293-G297 PolarHBondContact O-N 3.02Å; L294-G297 PolarHBondContact O-N 2.9Å; V295-G297 VanDerWaalsContact C-N 3.29Å; V295-G297 PolarHBondContact O-N 3.48Å; G297-A301 VanDerWaalsContact O-CB 3.28Å; G297-A301 WeakPolarHBondContact O-CB 3.49Å; G297-A301 PolarHBondContact O-N 2.98Å
298	L	98.9	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-45	174.7	175.2	62.1	0	0	0	111.9	V104 F117 L253 V259 A261 L294 V295 V296 A301 C302	V104-L298 HydrophobicContact CG2-CD2 4.16Å; V104-L298 HydrophobicContact CG2-CG 3.92Å; F117-L298 HydrophobicContact CD1-CD2 4.12Å; F117-L298 HydrophobicContact CE1-CD2 4.07Å; L253-L298 HydrophobicContact CD2-CD1 4.45Å; V259-L298 HydrophobicContact CG1-CB 4.02Å; V259-L298 HydrophobicContact CG2-CB 4.32Å; V259-L298 HydrophobicContact CG2-CD2 4.09Å; A261-L298 HydrophobicContact CB-CD2 4.23Å; L294-L298 PolarHBondContact O-N 3.44Å; V295-L298 PolarHBondContact O-N 3.29Å; V296-L298 VanDerWaalsContact C-N 3.35Å; V296-L298 PolarHBondContact O-N 2.96Å; L298-A301 PolarHBondContact O-N 2.84Å; L298-C302 PolarHBondContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 2.66Å
299	G	98.9	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-49.1	177.8	0	0	0	0	0	112.2	Q103 V295 V296 A301 C302 E303	Q103-G299 WeakPolarHBondContact CB-O 3.24Å; Q103-G299 PolarHBondContact OE1-O 2.7Å; V295-G299 PolarHBondContact O-N 2.75Å; V296-G299 PolarHBondContact O-N 2.97Å; G299-A301 VanDerWaalsContact C-N 3.32Å; G299-A301 PolarHBondContact O-N 3.15Å; G299-C302 WeakPolarHBondContact O-CB 3.37Å; G299-C302 PolarHBondContact O-N 3.2Å; G299-C302 VanDerWaalsContact O-N 3.1Å; G299-E303 PolarHBondContact O-N 2.93Å
300	A	98.9	Very high	98.7	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-41.3	175.3	0	0	0	0	0	112	V67 A70 V296 C302 E303 L304	V67-A300 HydrophobicContact CG2-CB 4.27Å; A70-A300 HydrophobicContact CB-CB 3.84Å; V296-A300 WeakPolarHBondContact O-CB 3.49Å; V296-A300 PolarHBondContact O-N 3.31Å; A300-C302 VanDerWaalsContact C-N 3.33Å; A300-C302 PolarHBondContact O-N 3.32Å; A300-E303 PolarHBondContact O-N 3.29Å; A300-L304 WeakPolarHBondContact O-CB 3.33Å; A300-L304 VanDerWaalsContact O-CG 3.26Å; A300-L304 WeakPolarHBondContact O-CG 3.37Å; A300-L304 PolarHBondContact O-N 3.45Å
301	A	98.9	Very high	98.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-38.5	175.6	0	0	0	0	0	112.1	V67 L253 G297 L298 G299 A305	V67-A301 HydrophobicContact CG2-CB 3.89Å; L253-A301 HydrophobicContact CD1-CB 4.36Å; L253-A301 HydrophobicContact CG-CB 4.2Å; G297-A301 VanDerWaalsContact O-CB 3.28Å; G297-A301 WeakPolarHBondContact O-CB 3.49Å; G297-A301 PolarHBondContact O-N 2.98Å; L298-A301 PolarHBondContact O-N 2.84Å; G299-A301 VanDerWaalsContact C-N 3.32Å; G299-A301 PolarHBondContact O-N 3.15Å; A301-A305 WeakPolarHBondContact O-CB 3.47Å; A301-A305 PolarHBondContact O-N 3.24Å
302	C	98.9	Very high	98.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-67.7	-43.7	176.4	-67.6	0	0	0	0	112.3	V104 L107 L298 G299 A300 A305 Q306	V104-C302 HydrophobicContact CG2-CB 4.44Å; L107-C302 HydrophobicContact CB-CB 4.24Å; L107-C302 HydrophobicContact CD2-CB 3.73Å; L298-C302 PolarHBondContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 2.66Å; G299-C302 WeakPolarHBondContact O-CB 3.37Å; G299-C302 PolarHBondContact O-N 3.2Å; G299-C302 VanDerWaalsContact O-N 3.1Å; A300-C302 VanDerWaalsContact C-N 3.33Å; A300-C302 PolarHBondContact O-N 3.32Å; C302-A305 PolarHBondContact O-N 3.48Å; C302-Q306 PolarHBondContact O-N 3.47Å
303	E	98.8	Very high	98.6	Very high	81 Å²	81	40.3 Å²	40.3	38%	0.379	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-47.6	176.8	177.8	172.8	-147.5	0	0	111.6	Q103 G299 A300 A305 Q306 Q307	Q103-E303 HydrophobicContact CB-CB 4.41Å; Q103-E303 HydrophobicContact CG-CB 4.18Å; Q103-E303 PolarHBondContact NE2-OE2 3.25Å; G299-E303 PolarHBondContact O-N 2.93Å; A300-E303 PolarHBondContact O-N 3.29Å; E303-A305 VanDerWaalsContact C-N 3.32Å; E303-A305 PolarHBondContact O-N 3.47Å; E303-Q306 WeakPolarHBondContact O-CB 3.25Å; E303-Q306 PolarHBondContact O-N 2.89Å; E303-Q307 WeakPolarHBondContact O-CG 3.43Å; E303-Q307 PolarHBondContact O-N 2.85Å; E303-Q307 VanDerWaalsContact O-N 3.16Å
304	L	98.6	Very high	98.6	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-40	175.6	-68.7	172.2	0	0	0	111.7	D64 R66 V67 A300 Q306 Q307 E308	D64-L304 HydrophobicContact CB-CD1 4.5Å; R66-L304 HydrophobicContact CB-CD1 3.65Å; R66-L304 HydrophobicContact CB-CD2 4.42Å; V67-L304 HydrophobicContact CG2-CD1 3.75Å; A300-L304 WeakPolarHBondContact O-CB 3.33Å; A300-L304 VanDerWaalsContact O-CG 3.26Å; A300-L304 WeakPolarHBondContact O-CG 3.37Å; A300-L304 PolarHBondContact O-N 3.45Å; L304-Q306 VanDerWaalsContact C-N 3.29Å; L304-Q306 PolarHBondContact O-N 2.8Å; L304-Q307 PolarHBondContact O-N 3.28Å; L304-E308 VanDerWaalsContact O-CB 3.31Å; L304-E308 WeakPolarHBondContact O-CB 3.31Å; L304-E308 WeakPolarHBondContact O-CG 3.34Å; L304-E308 PolarHBondContact O-N 2.94Å
305	A	98.6	Very high	98.6	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-37.7	176.3	0	0	0	0	0	111.5	L107 L253 A301 C302 E303 Q307 M309	L107-A305 HydrophobicContact CD2-CB 4.35Å; L253-A305 HydrophobicContact CD1-CB 4.3Å; A301-A305 WeakPolarHBondContact O-CB 3.47Å; A301-A305 PolarHBondContact O-N 3.24Å; C302-A305 PolarHBondContact O-N 3.48Å; E303-A305 VanDerWaalsContact C-N 3.32Å; E303-A305 PolarHBondContact O-N 3.47Å; A305-Q307 VanDerWaalsContact C-N 3.31Å; A305-Q307 PolarHBondContact O-N 2.95Å; A305-M309 WeakPolarHBondContact O-CA 3.41Å; A305-M309 VanDerWaalsContact O-CB 3.22Å; A305-M309 WeakPolarHBondContact O-CB 3.43Å; A305-M309 PolarHBondContact O-N 3.07Å
306	Q	98.3	Very high	98.6	Very high	100 Å²	100	45.7 Å²	45.7	47%	0.467	21%	0.208	S	C	.	.	H	α-helix	trans	-61.8	-39.2	175.3	-168.5	170.7	9.8	0	0	112.2	L107 C302 E303 L304	L107-Q306 HydrophobicContact CD1-CB 3.84Å; L107-Q306 HydrophobicContact CD1-CG 4.33Å; C302-Q306 PolarHBondContact O-N 3.47Å; E303-Q306 WeakPolarHBondContact O-CB 3.25Å; E303-Q306 PolarHBondContact O-N 2.89Å; L304-Q306 VanDerWaalsContact C-N 3.29Å; L304-Q306 PolarHBondContact O-N 2.8Å
307	Q	98.4	Very high	98.5	Very high	121 Å²	121	46.9 Å²	46.9	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-75.7	-40.8	-179.4	-65.9	166.7	5	0	0	112.7	E303 L304 A305	E303-Q307 WeakPolarHBondContact O-CG 3.43Å; E303-Q307 PolarHBondContact O-N 2.85Å; E303-Q307 VanDerWaalsContact O-N 3.16Å; L304-Q307 PolarHBondContact O-N 3.28Å; A305-Q307 VanDerWaalsContact C-N 3.31Å; A305-Q307 PolarHBondContact O-N 2.95Å
308	E	98.3	Very high	98.5	Very high	50 Å²	50	53.1 Å²	53.1	23%	0.234	24%	0.244	C	C	.	.	H	α-helix	trans	-95.5	-9.3	-170.1	-58.3	-76.2	-170	0	0	113.2	R66 L304 E310 Y311 D312	R66-E308 IonicContact CZ-OE1 3.5Å; R66-E308 IonicContact NH1-OE1 3.05Å; R66-E308 PolarHBondContact NH1-OE1 2.87Å; R66-E308 IonicContact NH2-OE1 2.76Å; R66-E308 PolarHBondContact NH2-OE1 3.01Å; L304-E308 VanDerWaalsContact O-CB 3.31Å; L304-E308 WeakPolarHBondContact O-CB 3.31Å; L304-E308 WeakPolarHBondContact O-CG 3.34Å; L304-E308 PolarHBondContact O-N 2.94Å; E308-E310 VanDerWaalsContact C-N 3.3Å; E308-E310 PolarHBondContact O-N 2.75Å; E308-Y311 PolarHBondContact O-N 3.29Å; E308-Y311 VanDerWaalsContact O-N 3.13Å; E308-D312 WeakPolarHBondContact O-CB 3.34Å; E308-D312 PolarHBondContact O-N 3.1Å
309	M	98.3	Very high	98.5	Very high	29 Å²	29	53.5 Å²	53.5	14%	0.143	25%	0.247	C	C	.	.	H	α-helix	trans	-51.1	-47.7	-170	-165.5	-178.2	-61.3	0	0	112.6	L107 P235 A305 H313	L107-M309 HydrophobicContact CD1-CE 3.77Å; P235-M309 HydrophobicContact CG-SD 4.37Å; A305-M309 WeakPolarHBondContact O-CA 3.41Å; A305-M309 VanDerWaalsContact O-CB 3.22Å; A305-M309 WeakPolarHBondContact O-CB 3.43Å; A305-M309 PolarHBondContact O-N 3.07Å; M309-H313 WeakPolarHBondContact O-CB 3.38Å; M309-H313 PolarHBondContact O-N 3.49Å
310	E	98.2	Very high	98.5	Very high	129 Å²	129	53.7 Å²	53.7	60%	0.603	25%	0.248	S	C	*	.	H	α-helix	trans	-67.9	-43.5	-176.6	-167.9	-170.5	153.2	0	0	111.8	E308 H313 K314	E308-E310 VanDerWaalsContact C-N 3.3Å; E308-E310 PolarHBondContact O-N 2.75Å; E310-H313 PolarHBondContact O-N 2.68Å; E310-K314 HydrophobicContact CG-CD 4.43Å; E310-K314 WeakPolarHBondContact O-CG 3.27Å; E310-K314 PolarHBondContact O-N 3.02Å; E310-K314 VanDerWaalsContact O-N 3.07Å; E310-K314 WeakPolarHBondContact OE1-CE 3.46Å; E310-K314 IonicContact OE1-NZ 3.45Å; E310-K314 PolarHBondContact OE1-NZ 2.84Å
311	Y	98.4	Very high	98.4	Very high	141 Å²	141	59.2 Å²	59.2	55%	0.553	27%	0.272	S	S	*	.	H	α-helix	trans	-62.7	-50.7	176.9	174.2	-93.5	0	0	0	111	E308 H313 K314 R315	E308-Y311 PolarHBondContact O-N 3.29Å; E308-Y311 VanDerWaalsContact O-N 3.13Å; Y311-H313 VanDerWaalsContact C-N 3.33Å; Y311-H313 PolarHBondContact O-N 3.29Å; Y311-K314 PolarHBondContact O-N 3.16Å; Y311-R315 WeakPolarHBondContact O-CB 3.4Å; Y311-R315 PolarHBondContact O-N 3.07Å
312	D	98.5	Very high	98.4	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-45.2	178.3	-84.9	-24.8	0	0	0	110.7	E308 K314 R315 I316 R406	E308-D312 WeakPolarHBondContact O-CB 3.34Å; E308-D312 PolarHBondContact O-N 3.1Å; D312-K314 PolarHBondContact O-N 2.74Å; D312-R315 PolarHBondContact O-N 3.47Å; D312-I316 HydrophobicContact CB-CD1 4.27Å; D312-I316 WeakPolarHBondContact O-CB 3.39Å; D312-I316 WeakPolarHBondContact O-CG1 3.4Å; D312-I316 PolarHBondContact O-N 2.66Å; D312-R406 IonicContact OD1-NE 2.84Å; D312-R406 IonicContact OD2-CZ 2.66Å; D312-R406 VanDerWaalsContact OD2-CZ 3.22Å; D312-R406 IonicContact OD2-NE 3.17Å; D312-R406 PolarHBondContact OD2-NE 2.98Å; D312-R406 IonicContact OD2-NH2 3.71Å; D312-R406 PolarHBondContact OD2-NH2 3.21Å
313	H	97.9	Very high	98.4	Very high	69 Å²	69	62.5 Å²	62.5	32%	0.319	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-45.9	-179.5	-162.7	96.2	0	0	0	111.9	K233 M309 E310 Y311 S317	K233-H313 PolarHBondContact O-ND1 2.81Å; K233-H313 VanDerWaalsContact O-ND1 3.14Å; M309-H313 WeakPolarHBondContact O-CB 3.38Å; M309-H313 PolarHBondContact O-N 3.49Å; E310-H313 PolarHBondContact O-N 2.68Å; Y311-H313 VanDerWaalsContact C-N 3.33Å; Y311-H313 PolarHBondContact O-N 3.29Å; H313-S317 VanDerWaalsContact O-CB 3.28Å; H313-S317 WeakPolarHBondContact O-CB 3.18Å; H313-S317 PolarHBondContact O-N 3.08Å; H313-S317 PolarHBondContact O-OG 2.92Å
314	K	98.3	Very high	98.3	Very high	132 Å²	132	59.9 Å²	59.9	57%	0.574	27%	0.272	S	S	*	.	H	α-helix	trans	-61.2	-47.7	176.9	-75.6	171	174	170.5	0	111.7	E310 Y311 D312 S317 K318	E310-K314 HydrophobicContact CG-CD 4.43Å; E310-K314 WeakPolarHBondContact O-CG 3.27Å; E310-K314 PolarHBondContact O-N 3.02Å; E310-K314 VanDerWaalsContact O-N 3.07Å; E310-K314 WeakPolarHBondContact OE1-CE 3.46Å; E310-K314 IonicContact OE1-NZ 3.45Å; E310-K314 PolarHBondContact OE1-NZ 2.84Å; Y311-K314 PolarHBondContact O-N 3.16Å; D312-K314 PolarHBondContact O-N 2.74Å; K314-S317 PolarHBondContact O-N 3.39Å; K314-K318 PolarHBondContact O-N 3.35Å
315	R	98.5	Very high	98.3	Very high	52 Å²	52	64.6 Å²	64.6	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-46.1	-177.8	-166	-176.7	64.9	70.9	20.5	111.8	Y311 D312 S317 K318 L319 G405 R406 T408	Y311-R315 WeakPolarHBondContact O-CB 3.4Å; Y311-R315 PolarHBondContact O-N 3.07Å; D312-R315 PolarHBondContact O-N 3.47Å; R315-S317 VanDerWaalsContact C-N 3.33Å; R315-S317 PolarHBondContact O-N 2.99Å; R315-K318 PolarHBondContact O-N 3.34Å; R315-L319 WeakPolarHBondContact O-CG 3.19Å; R315-L319 PolarHBondContact O-N 3.3Å; R315-L319 VanDerWaalsContact O-N 3.1Å; R315-G405 PolarHBondContact NH2-O 3.36Å; R315-R406 VanDerWaalsContact CZ-O 3.24Å; R315-R406 PolarHBondContact NH2-O 3.05Å; R315-T408 PolarHBondContact NH1-O 3.35Å
316	I	98.6	Very high	98.3	Very high	3 Å²	3	67.9 Å²	67.9	2%	0.015	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-39.5	177.8	-68.6	170.2	0	0	0	110.5	D312 K318 L319 A320 P345 I404	D312-I316 HydrophobicContact CB-CD1 4.27Å; D312-I316 WeakPolarHBondContact O-CB 3.39Å; D312-I316 WeakPolarHBondContact O-CG1 3.4Å; D312-I316 PolarHBondContact O-N 2.66Å; I316-K318 PolarHBondContact O-N 3.26Å; I316-L319 PolarHBondContact O-N 3.08Å; I316-A320 VanDerWaalsContact O-CB 3.26Å; I316-A320 WeakPolarHBondContact O-CB 3.31Å; I316-A320 PolarHBondContact O-N 3.48Å; I316-P345 HydrophobicContact CG2-CB 4.33Å; I316-P345 HydrophobicContact CG2-CG 4.32Å; I316-I404 HydrophobicContact CB-CG2 4.45Å; I316-I404 HydrophobicContact CG1-CG2 4.27Å; I316-I404 HydrophobicContact CG2-CB 4.24Å; I316-I404 HydrophobicContact CG2-CG2 4.02Å
317	S	98.4	Very high	98.3	Very high	39 Å²	39	63.1 Å²	63.1	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-46.9	175.8	-60.2	0	0	0	0	112.1	H313 K314 R315 L319 A320 E321 P345	H313-S317 VanDerWaalsContact O-CB 3.28Å; H313-S317 WeakPolarHBondContact O-CB 3.18Å; H313-S317 PolarHBondContact O-N 3.08Å; H313-S317 PolarHBondContact O-OG 2.92Å; K314-S317 PolarHBondContact O-N 3.39Å; R315-S317 VanDerWaalsContact C-N 3.33Å; R315-S317 PolarHBondContact O-N 2.99Å; S317-L319 PolarHBondContact O-N 3.22Å; S317-A320 PolarHBondContact O-N 3.36Å; S317-E321 WeakPolarHBondContact O-CB 3.44Å; S317-E321 PolarHBondContact O-N 2.71Å; S317-P345 WeakPolarHBondContact OG-CG 3.41Å
318	K	98.5	Very high	98.2	Very high	130 Å²	130	60.4 Å²	60.4	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-60.2	-44.4	176.8	-176	-174.2	175.4	-168.1	0	112	K314 R315 I316 R322	K314-K318 PolarHBondContact O-N 3.35Å; R315-K318 PolarHBondContact O-N 3.34Å; I316-K318 PolarHBondContact O-N 3.26Å; K318-R322 WeakPolarHBondContact O-CB 3.15Å; K318-R322 PolarHBondContact O-N 2.72Å
319	L	98.7	Very high	98.2	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.047	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-39.4	178.4	-69.5	179.5	0	0	0	112.1	R315 I316 S317 R322 L323 I404 T408 E410 V413	R315-L319 WeakPolarHBondContact O-CG 3.19Å; R315-L319 PolarHBondContact O-N 3.3Å; R315-L319 VanDerWaalsContact O-N 3.1Å; I316-L319 PolarHBondContact O-N 3.08Å; S317-L319 PolarHBondContact O-N 3.22Å; L319-R322 WeakPolarHBondContact O-CB 3.2Å; L319-R322 PolarHBondContact O-N 3.32Å; L319-L323 PolarHBondContact O-N 2.87Å; L319-I404 HydrophobicContact CB-CD1 4.15Å; L319-I404 HydrophobicContact CB-CG2 3.97Å; L319-I404 HydrophobicContact CD1-CG2 3.96Å; L319-T408 HydrophobicContact CD1-CG2 4.49Å; L319-T408 WeakPolarHBondContact CD1-O 3.43Å; L319-E410 HydrophobicContact CD2-CB 4.07Å; L319-V413 HydrophobicContact CB-CG2 4.2Å; L319-V413 HydrophobicContact CD2-CG2 4.14Å
320	A	98.1	Very high	98.2	Very high	4 Å²	4	68.9 Å²	68.9	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-47.2	178	0	0	0	0	0	112	I316 S317 R322 L323 I324 P345 I348 I404	I316-A320 VanDerWaalsContact O-CB 3.26Å; I316-A320 WeakPolarHBondContact O-CB 3.31Å; I316-A320 PolarHBondContact O-N 3.48Å; S317-A320 PolarHBondContact O-N 3.36Å; A320-R322 VanDerWaalsContact C-N 3.32Å; A320-R322 PolarHBondContact O-N 2.74Å; A320-L323 PolarHBondContact O-N 2.86Å; A320-I324 WeakPolarHBondContact O-CG1 3.27Å; A320-I324 PolarHBondContact O-N 2.91Å; A320-P345 HydrophobicContact CB-CB 3.91Å; A320-P345 WeakPolarHBondContact CB-O 3.36Å; A320-I348 HydrophobicContact CB-CD1 3.73Å; A320-I348 HydrophobicContact CB-CG1 4.37Å; A320-I404 HydrophobicContact CB-CD1 4.11Å
321	E	97.9	Very high	98.1	Very high	126 Å²	126	63 Å²	63	59%	0.589	29%	0.286	S	S	*	.	H	α-helix	trans	-59.3	-44.3	175.1	-176.9	174.6	-157	0	0	111.2	S317 L323 I324 Q325	S317-E321 WeakPolarHBondContact O-CB 3.44Å; S317-E321 PolarHBondContact O-N 2.71Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-L323 PolarHBondContact O-N 3.08Å; E321-I324 PolarHBondContact O-N 2.56Å; E321-Q325 HydrophobicContact CG-CG 4.05Å; E321-Q325 VanDerWaalsContact O-CB 3.27Å; E321-Q325 WeakPolarHBondContact O-CB 3.24Å; E321-Q325 VanDerWaalsContact O-CG 3.27Å; E321-Q325 WeakPolarHBondContact O-CG 3.44Å; E321-Q325 PolarHBondContact O-N 3.03Å
322	R	98.4	Very high	98	Very high	71 Å²	71	59.6 Å²	59.6	27%	0.268	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-45.2	175.4	-174.8	-178.4	-174.7	91.8	1.8	112.1	K318 L319 A320 K326 E410 V413 D414	K318-R322 WeakPolarHBondContact O-CB 3.15Å; K318-R322 PolarHBondContact O-N 2.72Å; L319-R322 WeakPolarHBondContact O-CB 3.2Å; L319-R322 PolarHBondContact O-N 3.32Å; A320-R322 VanDerWaalsContact C-N 3.32Å; A320-R322 PolarHBondContact O-N 2.74Å; R322-K326 HydrophobicContact CG-CD 4.18Å; R322-K326 VanDerWaalsContact CZ-NZ 3.27Å; R322-K326 WeakPolarHBondContact O-CB 3.33Å; R322-K326 VanDerWaalsContact O-CG 3.26Å; R322-K326 WeakPolarHBondContact O-CG 3.23Å; R322-K326 PolarHBondContact O-N 3.1Å; R322-E410 IonicContact CZ-OE1 3.22Å; R322-E410 IonicContact NE-OE1 3.72Å; R322-E410 PolarHBondContact NE-OE1 3.46Å; R322-E410 IonicContact NH1-OE1 2.76Å; R322-E410 PolarHBondContact NH1-OE1 3.19Å; R322-E410 IonicContact NH2-OE1 2.79Å; R322-V413 HydrophobicContact CB-CG1 4.48Å; R322-V413 HydrophobicContact CG-CG1 4.3Å; R322-D414 IonicContact CZ-OD1 3.75Å; R322-D414 IonicContact CZ-OD2 2.71Å; R322-D414 IonicContact NE-OD1 3.87Å; R322-D414 PolarHBondContact NE-OD1 3.46Å; R322-D414 IonicContact NE-OD2 3.74Å; R322-D414 PolarHBondContact NE-OD2 3.14Å; R322-D414 IonicContact NH2-OD1 2.61Å; R322-D414 PolarHBondContact NH2-OD1 2.95Å; R322-D414 IonicContact NH2-OD2 3.28Å; R322-D414 PolarHBondContact NH2-OD2 3.46Å
323	L	98.5	Very high	97.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-53.7	178.6	-173.1	150.3	0	0	0	111.1	M55 L319 A320 E321 I327 I348 L350 F402 I404 V413 V417	M55-L323 HydrophobicContact CE-CD1 3.91Å; L319-L323 PolarHBondContact O-N 2.87Å; A320-L323 PolarHBondContact O-N 2.86Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-L323 PolarHBondContact O-N 3.08Å; L323-I327 HydrophobicContact CD2-CD1 3.66Å; L323-I327 HydrophobicContact CG-CD1 4.08Å; L323-I327 WeakPolarHBondContact O-CG1 2.88Å; L323-I327 PolarHBondContact O-N 2.89Å; L323-I327 VanDerWaalsContact O-N 3.12Å; L323-I348 HydrophobicContact CB-CD1 4.28Å; L323-I348 HydrophobicContact CD1-CD1 4.44Å; L323-I348 HydrophobicContact CD2-CD1 3.91Å; L323-I348 HydrophobicContact CD2-CG2 4.25Å; L323-I348 HydrophobicContact CG-CD1 4.44Å; L323-L350 HydrophobicContact CD2-CD1 4.49Å; L323-F402 HydrophobicContact CD1-CB 4.15Å; L323-F402 HydrophobicContact CD1-CD1 4.18Å; L323-F402 HydrophobicContact CD1-CG 4.26Å; L323-F402 HydrophobicContact CD2-CD2 4.44Å; L323-F402 HydrophobicContact CD2-CG 4.32Å; L323-I404 HydrophobicContact CD1-CD1 4.24Å; L323-V413 HydrophobicContact CB-CG1 3.92Å; L323-V417 HydrophobicContact CB-CG2 4.44Å; L323-V417 HydrophobicContact CG-CG2 4.18Å
324	I	97.8	Very high	97.8	Very high	25 Å²	25	60.3 Å²	60.3	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-53	-175.9	-66.9	164.8	0	0	0	110.6	A320 E321 K326 I327 M328 M336 I348	A320-I324 WeakPolarHBondContact O-CG1 3.27Å; A320-I324 PolarHBondContact O-N 2.91Å; E321-I324 PolarHBondContact O-N 2.56Å; I324-K326 PolarHBondContact O-N 2.77Å; I324-I327 PolarHBondContact O-N 2.71Å; I324-M328 HydrophobicContact CG2-CE 4.4Å; I324-M328 HydrophobicContact CG2-CG 4.38Å; I324-M328 HydrophobicContact CG2-SD 3.69Å; I324-M328 WeakPolarHBondContact O-CB 3.22Å; I324-M328 PolarHBondContact O-N 2.83Å; I324-M336 HydrophobicContact CD1-SD 4.2Å; I324-I348 HydrophobicContact CD1-CD1 4.18Å; I324-I348 HydrophobicContact CD1-CG1 4.13Å; I324-I348 HydrophobicContact CD1-CG2 4.02Å; I324-I348 HydrophobicContact CG1-CD1 4.09Å; I324-I348 HydrophobicContact CG1-CG1 4.36Å; I324-I348 HydrophobicContact CG1-CG2 3.7Å
325	Q	97.6	Very high	97.7	Very high	115 Å²	115	57.5 Å²	57.5	54%	0.537	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-42.1	-174.8	-70.7	-63.1	-22.3	0	0	111.9	E321 K329	E321-Q325 HydrophobicContact CG-CG 4.05Å; E321-Q325 VanDerWaalsContact O-CB 3.27Å; E321-Q325 WeakPolarHBondContact O-CB 3.24Å; E321-Q325 VanDerWaalsContact O-CG 3.27Å; E321-Q325 WeakPolarHBondContact O-CG 3.44Å; E321-Q325 PolarHBondContact O-N 3.03Å; Q325-K329 WeakPolarHBondContact O-CB 3.14Å; Q325-K329 PolarHBondContact O-N 3.05Å
326	K	98.3	Very high	97.6	Very high	70 Å²	70	56.7 Å²	56.7	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-69.5	-38.9	179.9	-71.1	-175	175.3	-167.5	0	112.5	R322 I324 N330 D414 V417	R322-K326 HydrophobicContact CG-CD 4.18Å; R322-K326 VanDerWaalsContact CZ-NZ 3.27Å; R322-K326 WeakPolarHBondContact O-CB 3.33Å; R322-K326 VanDerWaalsContact O-CG 3.26Å; R322-K326 WeakPolarHBondContact O-CG 3.23Å; R322-K326 PolarHBondContact O-N 3.1Å; I324-K326 PolarHBondContact O-N 2.77Å; K326-N330 PolarHBondContact O-N 3.37Å; K326-N330 PolarHBondContact O-ND2 3.31Å; K326-D414 IonicContact NZ-OD1 2.97Å; K326-D414 PolarHBondContact NZ-OD1 2.9Å; K326-D414 IonicContact NZ-OD2 3.28Å; K326-V417 HydrophobicContact CB-CG1 3.5Å; K326-V417 HydrophobicContact CB-CG2 4.36Å; K326-V417 HydrophobicContact CD-CG1 4.06Å; K326-V417 HydrophobicContact CG-CG1 4.46Å
327	I	98.2	Very high	97.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-56.1	176.7	-70.4	177.9	0	0	0	109.8	L323 I324 K329 N330 L331 V334 L350 F352 F402 V417 C420	L323-I327 HydrophobicContact CD2-CD1 3.66Å; L323-I327 HydrophobicContact CG-CD1 4.08Å; L323-I327 WeakPolarHBondContact O-CG1 2.88Å; L323-I327 PolarHBondContact O-N 2.89Å; L323-I327 VanDerWaalsContact O-N 3.12Å; I324-I327 PolarHBondContact O-N 2.71Å; I327-K329 VanDerWaalsContact C-N 3.3Å; I327-K329 PolarHBondContact O-N 2.81Å; I327-N330 PolarHBondContact O-N 3.42Å; I327-N330 VanDerWaalsContact O-N 3.09Å; I327-L331 HydrophobicContact CG2-CD1 4.12Å; I327-L331 PolarHBondContact O-N 2.75Å; I327-L331 VanDerWaalsContact O-N 3.07Å; I327-V334 HydrophobicContact CG2-CG1 4.21Å; I327-L350 HydrophobicContact CB-CD1 4.47Å; I327-L350 HydrophobicContact CD1-CD1 4.13Å; I327-L350 HydrophobicContact CG2-CD1 3.99Å; I327-F352 HydrophobicContact CG2-CE1 3.74Å; I327-F352 HydrophobicContact CG2-CZ 4.2Å; I327-F402 HydrophobicContact CD1-CZ 4.46Å; I327-V417 HydrophobicContact CD1-CG2 4.44Å; I327-V417 HydrophobicContact CG1-CG1 4.32Å; I327-V417 HydrophobicContact CG1-CG2 4.13Å; I327-C420 HydrophobicContact CD1-CB 4.42Å
328	M	97.6	Very high	97.4	Very high	65 Å²	65	55.5 Å²	55.5	32%	0.32	27%	0.273	S	S	.	.	H	α-helix	trans	-64.8	-31.1	-175.1	-71.2	-175.8	160.3	0	0	113.4	I324 N330 V334 M336 L350	I324-M328 HydrophobicContact CG2-CE 4.4Å; I324-M328 HydrophobicContact CG2-CG 4.38Å; I324-M328 HydrophobicContact CG2-SD 3.69Å; I324-M328 WeakPolarHBondContact O-CB 3.22Å; I324-M328 PolarHBondContact O-N 2.83Å; M328-N330 VanDerWaalsContact C-N 3.33Å; M328-N330 PolarHBondContact O-N 3.26Å; M328-V334 HydrophobicContact CE-CG1 4.4Å; M328-V334 HydrophobicContact CG-CB 4.41Å; M328-V334 HydrophobicContact CG-CG1 4.21Å; M328-M336 HydrophobicContact CE-CB 3.69Å; M328-L350 HydrophobicContact CE-CD2 3.92Å
329	K	97.7	Very high	97.3	Very high	180 Å²	180	51 Å²	51	78%	0.783	26%	0.255	S	S	*	.	H	α-helix	trans	-68.7	-29.9	175.1	-178.3	176.4	177.7	179.7	0	113.2	Q325 I327	Q325-K329 WeakPolarHBondContact O-CB 3.14Å; Q325-K329 PolarHBondContact O-N 3.05Å; I327-K329 VanDerWaalsContact C-N 3.3Å; I327-K329 PolarHBondContact O-N 2.81Å
330	N	97.9	Very high	97	Very high	77 Å²	77	55.4 Å²	55.4	41%	0.412	28%	0.284	S	S	.	.	H	α-helix	trans	-104.8	-7.6	-171.4	-73.4	-80.5	0	0	0	114.1	K326 I327 M328 I421	K326-N330 PolarHBondContact O-N 3.37Å; K326-N330 PolarHBondContact O-ND2 3.31Å; I327-N330 PolarHBondContact O-N 3.42Å; I327-N330 VanDerWaalsContact O-N 3.09Å; M328-N330 VanDerWaalsContact C-N 3.33Å; M328-N330 PolarHBondContact O-N 3.26Å; N330-I421 HydrophobicContact CB-CD1 3.62Å; N330-I421 HydrophobicContact CB-CG1 4.04Å; N330-I421 HydrophobicContact CB-CG2 4.16Å
331	L	97.4	Very high	96.9	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.026	32%	0.322	C	S	.	.	S	Bend	trans	-132	122.4	179.8	-68	174.3	0	0	0	109.8	I327 V334 F352 I421 V424 K425	I327-L331 HydrophobicContact CG2-CD1 4.12Å; I327-L331 PolarHBondContact O-N 2.75Å; I327-L331 VanDerWaalsContact O-N 3.07Å; L331-V334 HydrophobicContact CB-CG2 3.6Å; L331-V334 HydrophobicContact CD1-CG2 4.31Å; L331-F352 HydrophobicContact CD1-CD1 4.22Å; L331-F352 HydrophobicContact CD1-CE1 4.05Å; L331-I421 HydrophobicContact CD1-CG1 4.24Å; L331-I421 HydrophobicContact CD2-CG2 4.29Å; L331-I421 HydrophobicContact CG-CG1 4.25Å; L331-I421 HydrophobicContact CG-CG2 4.47Å; L331-V424 HydrophobicContact CD1-CB 3.82Å; L331-V424 HydrophobicContact CD1-CG1 3.81Å; L331-V424 HydrophobicContact CD1-CG2 4.05Å; L331-V424 HydrophobicContact CD2-CB 4.05Å; L331-V424 HydrophobicContact CD2-CG1 3.76Å; L331-V424 HydrophobicContact CG-CG1 4.36Å; L331-K425 HydrophobicContact CD2-CG 3.84Å
332	P	95.7	Very high	96.8	Very high	70 Å²	70	62.4 Å²	62.4	46%	0.455	31%	0.314	S	S	.	.	S	Bend	trans	-70.5	164	169.1	32.3	-35.7	0	0	0	110.5	V334 R428 W434	P332-V334 VanDerWaalsContact C-N 3.3Å; P332-V334 PolarHBondContact O-N 2.84Å; P332-R428 VanDerWaalsContact O-CZ 3.27Å; P332-R428 PolarHBondContact O-NH1 3.33Å; P332-R428 PolarHBondContact O-NH2 2.96Å; P332-W434 HydrophobicContact CG-CH2 3.82Å
333	D	95.3	Very high	96.7	Very high	73 Å²	73	60.1 Å²	60.1	39%	0.39	31%	0.306	S	S	.	.	S	Bend	trans	54.6	43.7	173.6	-47.7	-64.3	0	0	0	113.6	A353 Y354 R428	D333-A353 HydrophobicContact CB-CB 3.69Å; D333-A353 WeakPolarHBondContact O-CB 3Å; D333-A353 PolarHBondContact O-N 3.47Å; D333-Y354 HydrophobicContact CB-CD2 4.49Å; D333-Y354 HydrophobicContact CB-CE2 3.83Å; D333-R428 PolarHBondContact O-NH2 3.43Å
334	V	96.7	Very high	96.6	Very high	20 Å²	20	60.5 Å²	60.5	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125	169.7	-177.9	0	0	0	0	108.6	I327 M328 L331 P332 L350 S351 F352	I327-V334 HydrophobicContact CG2-CG1 4.21Å; M328-V334 HydrophobicContact CE-CG1 4.4Å; M328-V334 HydrophobicContact CG-CB 4.41Å; M328-V334 HydrophobicContact CG-CG1 4.21Å; L331-V334 HydrophobicContact CB-CG2 3.6Å; L331-V334 HydrophobicContact CD1-CG2 4.31Å; P332-V334 VanDerWaalsContact C-N 3.3Å; P332-V334 PolarHBondContact O-N 2.84Å; V334-L350 HydrophobicContact CG1-CB 4.11Å; V334-L350 HydrophobicContact CG1-CD1 4.2Å; V334-S351 WeakPolarHBondContact CA-O 3.43Å; V334-F352 HydrophobicContact CG1-CD1 4.21Å; V334-F352 HydrophobicContact CG1-CE1 4.01Å; V334-F352 HydrophobicContact CG2-CD1 3.76Å; V334-F352 HydrophobicContact CG2-CE1 4.04Å
335	V	95.3	Very high	96.6	Very high	74 Å²	74	60.1 Å²	60.1	45%	0.448	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.4	-177.7	-178.6	0	0	0	0	109.3	L350 S351	V335-L350 CarbonylContact O-C 3.54Å; V335-L350 VanDerWaalsContact O-CA 3.28Å; V335-L350 WeakPolarHBondContact O-CA 3.44Å; V335-S351 PolarHBondContact N-O 2.96Å; V335-S351 PolarHBondContact O-N 3.32Å
336	M	96.6	Very high	96.7	Very high	35 Å²	35	54.6 Å²	54.6	17%	0.172	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.7	169.9	178.9	172.5	174.1	0	0	109.6	I324 M328 P340 L350	I324-M336 HydrophobicContact CD1-SD 4.2Å; M328-M336 HydrophobicContact CE-CB 3.69Å; M336-P340 HydrophobicContact SD-CB 4.33Å; M336-L350 HydrophobicContact CB-CD2 3.77Å; M336-L350 HydrophobicContact CG-CD2 4.12Å
337	N	96.7	Very high	96.6	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.032	27%	0.266	C	S	.	.			trans	-85	122	175.8	-64.3	-52.8	0	0	0	109.8	I203 N349 S351 L386 I389 S399	I203-N337 HydrophobicContact CG2-CB 3.9Å; N337-N349 HydrophobicContact CB-CB 4.18Å; N337-N349 PolarHBondContact N-O 2.99Å; N337-N349 PolarHBondContact ND2-OD1 3.2Å; N337-S351 PolarHBondContact ND2-OG 2.76Å; N337-S351 PolarHBondContact OD1-OG 2.89Å; N337-L386 HydrophobicContact CB-CD2 3.73Å; N337-I389 HydrophobicContact CB-CD1 4.06Å; N337-S399 PolarHBondContact ND2-OG 3.46Å
338	G	95.9	Very high	96.6	Very high	10 Å²	10	51.3 Å²	51.3	10%	0.103	27%	0.266	C	S	.	.	S	Bend	trans	101.9	167	-176.8	0	0	0	0	0	114.2	S175 V205	S175-G338 CarbonylContact O-C 3.52Å; S175-G338 WeakPolarHBondContact O-CA 3.25Å; V205-G338 VanDerWaalsContact CG2-CA 3.47Å
339	D	96.5	Very high	96.6	Very high	35 Å²	35	48.2 Å²	48.2	19%	0.187	25%	0.251	C	S	.	.			trans	-68.8	122.3	-179.6	-163.6	-63	0	0	0	112.1	S175 I177 K341 Q342 H343	S175-D339 PolarHBondContact O-N 3.26Å; I177-D339 HydrophobicContact CD1-CB 3.97Å; I177-D339 HydrophobicContact CG1-CB 4.41Å; D339-K341 VanDerWaalsContact C-N 3.26Å; D339-K341 PolarHBondContact O-N 2.87Å; D339-K341 WeakPolarHBondContact OD1-CA 3.5Å; D339-K341 VanDerWaalsContact OD1-CB 3.31Å; D339-K341 WeakPolarHBondContact OD1-CB 3.4Å; D339-K341 PolarHBondContact OD1-N 3.48Å; D339-Q342 HydrophobicContact CB-CB 4.2Å; D339-Q342 PolarHBondContact OD1-N 3.43Å; D339-H343 WeakPolarHBondContact O-CB 3.46Å
340	P	93.1	Very high	96.6	Very high	102 Å²	102	39.7 Å²	39.7	66%	0.662	21%	0.214	S	C	*	.	S	Bend	trans	-69.2	-20	179.7	27.7	-35	0	0	0	114	M336	M336-P340 HydrophobicContact SD-CB 4.33Å
341	K	95	Very high	96.5	Very high	187 Å²	187	36 Å²	36	81%	0.813	20%	0.195	S	C	*	.	S	Bend	trans	-92.1	-42.5	179.6	-60.3	178.9	179.9	177.3	0	111.7	D339 H343	D339-K341 VanDerWaalsContact C-N 3.26Å; D339-K341 PolarHBondContact O-N 2.87Å; D339-K341 WeakPolarHBondContact OD1-CA 3.5Å; D339-K341 VanDerWaalsContact OD1-CB 3.31Å; D339-K341 WeakPolarHBondContact OD1-CB 3.4Å; D339-K341 PolarHBondContact OD1-N 3.48Å; K341-H343 PolarHBondContact O-N 3.36Å
342	Q	96.2	Very high	96.4	Very high	91 Å²	91	35.8 Å²	35.8	43%	0.425	19%	0.193	S	C	.	.	S	Bend	trans	-99	62.2	-179.6	-67.3	-66.1	-2.3	0	0	111.7	I177 V205 K206 D339	I177-Q342 HydrophobicContact CD1-CB 3.76Å; I177-Q342 HydrophobicContact CD1-CG 4.02Å; V205-Q342 WeakPolarHBondContact CA-O 3.35Å; K206-Q342 PolarHBondContact N-O 2.82Å; D339-Q342 HydrophobicContact CB-CB 4.2Å; D339-Q342 PolarHBondContact OD1-N 3.43Å
343	H	96.1	Very high	96.3	Very high	22 Å²	22	33 Å²	33	10%	0.102	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-140.1	149	-172.6	164.9	-96.1	0	0	0	112.5	I203 G204 D339 K341 C347	I203-H343 PolarHBondContact O-CD2 2.91Å; G204-H343 WeakPolarHBondContact O-CA 3.3Å; G204-H343 PolarHBondContact O-CD2 3.47Å; D339-H343 WeakPolarHBondContact O-CB 3.46Å; K341-H343 PolarHBondContact O-N 3.36Å; H343-C347 PolarHBondContact NE2-O 3.01Å
344	Y	98.2	Very high	96.2	Very high	9 Å²	9	32 Å²	32	4%	0.035	17%	0.167	C	C	.	.			trans	-85.3	114.4	169.7	170.7	-109	0	0	0	110.3	V199 G204 K233 I234 G346 C347	V199-Y344 HydrophobicContact CG1-CG 4.46Å; G204-Y344 PolarHBondContact O-N 3.35Å; K233-Y344 HydrophobicContact CB-CD2 4.16Å; K233-Y344 HydrophobicContact CB-CE2 3.6Å; K233-Y344 HydrophobicContact CD-CE1 3.86Å; K233-Y344 HydrophobicContact CD-CE2 4.13Å; K233-Y344 HydrophobicContact CG-CE2 4.24Å; I234-Y344 HydrophobicContact CG2-CD2 4.28Å; Y344-G346 PolarHBondContact O-N 3.07Å; Y344-C347 HydrophobicContact CD1-CB 4.05Å; Y344-C347 PolarHBondContact O-N 3.48Å; Y344-C347 VanDerWaalsContact O-N 3.11Å
345	P	97.9	Very high	95.9	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.104	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.5	-168.3	21.5	-34.5	0	0	0	114.9	I316 S317 A320 C347 I348	I316-P345 HydrophobicContact CG2-CB 4.33Å; I316-P345 HydrophobicContact CG2-CG 4.32Å; S317-P345 WeakPolarHBondContact OG-CG 3.41Å; A320-P345 HydrophobicContact CB-CB 3.91Å; A320-P345 WeakPolarHBondContact CB-O 3.36Å; P345-C347 PolarHBondContact O-N 2.81Å; P345-I348 WeakPolarHBondContact O-CG1 3.47Å
346	G	97.8	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	8.4	179.6	0	0	0	0	0	115.8	Y344 G403 I404	Y344-G346 PolarHBondContact O-N 3.07Å; G346-G403 WeakPolarHBondContact O-CA 3.48Å; G346-I404 WeakPolarHBondContact CA-O 3.12Å; G346-I404 PolarHBondContact O-N 2.92Å
347	C	98	Very high	94.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	70.3	-176.7	-174	0	0	0	0	112.7	R58 G204 H343 Y344 P345	R58-C347 HydrophobicContact CG-CB 4.14Å; R58-C347 PolarHBondContact NE-SG 2.88Å; R58-C347 VanDerWaalsContact NE-SG 3.36Å; G204-C347 PolarHBondContact N-SG 2.74Å; H343-C347 PolarHBondContact NE2-O 3.01Å; Y344-C347 HydrophobicContact CD1-CB 4.05Å; Y344-C347 PolarHBondContact O-N 3.48Å; Y344-C347 VanDerWaalsContact O-N 3.11Å; P345-C347 PolarHBondContact O-N 2.81Å
348	I	97.9	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.4	-172.2	-54.1	160.4	0	0	0	109.4	A320 L323 I324 P345 L350 R401 F402 I404	A320-I348 HydrophobicContact CB-CD1 3.73Å; A320-I348 HydrophobicContact CB-CG1 4.37Å; L323-I348 HydrophobicContact CB-CD1 4.28Å; L323-I348 HydrophobicContact CD1-CD1 4.44Å; L323-I348 HydrophobicContact CD2-CD1 3.91Å; L323-I348 HydrophobicContact CD2-CG2 4.25Å; L323-I348 HydrophobicContact CG-CD1 4.44Å; I324-I348 HydrophobicContact CD1-CD1 4.18Å; I324-I348 HydrophobicContact CD1-CG1 4.13Å; I324-I348 HydrophobicContact CD1-CG2 4.02Å; I324-I348 HydrophobicContact CG1-CD1 4.09Å; I324-I348 HydrophobicContact CG1-CG1 4.36Å; I324-I348 HydrophobicContact CG1-CG2 3.7Å; P345-I348 WeakPolarHBondContact O-CG1 3.47Å; I348-L350 HydrophobicContact CG2-CD1 4.37Å; I348-L350 HydrophobicContact CG2-CD2 3.99Å; I348-L350 HydrophobicContact CG2-CG 3.94Å; I348-R401 CarbonylContact O-C 3.52Å; I348-R401 WeakPolarHBondContact O-CA 3.4Å; I348-F402 HydrophobicContact CB-CB 4.32Å; I348-F402 PolarHBondContact N-O 2.68Å; I348-F402 PolarHBondContact O-N 2.99Å; I348-I404 HydrophobicContact CD1-CD1 3.77Å
349	N	97.3	Very high	94	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.2	176.6	-168.5	-50	0	0	0	109.9	E202 I203 N337 I400	E202-N349 WeakPolarHBondContact O-CB 3.22Å; E202-N349 PolarHBondContact O-ND2 3.07Å; I203-N349 HydrophobicContact CB-CB 4.46Å; I203-N349 HydrophobicContact CG2-CB 4.14Å; N337-N349 HydrophobicContact CB-CB 4.18Å; N337-N349 PolarHBondContact N-O 2.99Å; N337-N349 PolarHBondContact ND2-OD1 3.2Å; N349-I400 WeakPolarHBondContact CA-O 3.4Å
350	L	96.7	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.8	-176.8	-56.4	-179.2	0	0	0	110.4	L323 I327 M328 V334 V335 M336 I348 F352 S399 I400 F402	L323-L350 HydrophobicContact CD2-CD1 4.49Å; I327-L350 HydrophobicContact CB-CD1 4.47Å; I327-L350 HydrophobicContact CD1-CD1 4.13Å; I327-L350 HydrophobicContact CG2-CD1 3.99Å; M328-L350 HydrophobicContact CE-CD2 3.92Å; V334-L350 HydrophobicContact CG1-CB 4.11Å; V334-L350 HydrophobicContact CG1-CD1 4.2Å; V335-L350 CarbonylContact O-C 3.54Å; V335-L350 VanDerWaalsContact O-CA 3.28Å; V335-L350 WeakPolarHBondContact O-CA 3.44Å; M336-L350 HydrophobicContact CB-CD2 3.77Å; M336-L350 HydrophobicContact CG-CD2 4.12Å; I348-L350 HydrophobicContact CG2-CD1 4.37Å; I348-L350 HydrophobicContact CG2-CD2 3.99Å; I348-L350 HydrophobicContact CG2-CG 3.94Å; L350-F352 HydrophobicContact CB-CE2 3.88Å; L350-F352 HydrophobicContact CB-CZ 3.93Å; L350-F352 HydrophobicContact CD1-CZ 4.18Å; L350-S399 CarbonylContact O-C 2.96Å; L350-S399 WeakPolarHBondContact O-CA 3.46Å; L350-I400 PolarHBondContact N-O 3.17Å; L350-I400 PolarHBondContact O-N 3.22Å; L350-F402 HydrophobicContact CB-CE2 4.45Å; L350-F402 HydrophobicContact CD1-CE2 4.28Å; L350-F402 HydrophobicContact CG-CE2 4.44Å
351	S	95.5	Very high	93.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.6	166.9	-56.1	0	0	0	0	110.2	V334 V335 N337 L395 S399	V334-S351 WeakPolarHBondContact CA-O 3.43Å; V335-S351 PolarHBondContact N-O 2.96Å; V335-S351 PolarHBondContact O-N 3.32Å; N337-S351 PolarHBondContact ND2-OG 2.76Å; N337-S351 PolarHBondContact OD1-OG 2.89Å; S351-L395 PolarHBondContact OG-O 3.01Å; S351-S399 PolarHBondContact OG-OG 3.47Å
352	F	95.5	Very high	93.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	98.8	178	-61.7	-88.6	0	0	0	109.1	I327 L331 V334 L350 V355 L360 S398 I400 F402 C420 V424	I327-F352 HydrophobicContact CG2-CE1 3.74Å; I327-F352 HydrophobicContact CG2-CZ 4.2Å; L331-F352 HydrophobicContact CD1-CD1 4.22Å; L331-F352 HydrophobicContact CD1-CE1 4.05Å; V334-F352 HydrophobicContact CG1-CD1 4.21Å; V334-F352 HydrophobicContact CG1-CE1 4.01Å; V334-F352 HydrophobicContact CG2-CD1 3.76Å; V334-F352 HydrophobicContact CG2-CE1 4.04Å; L350-F352 HydrophobicContact CB-CE2 3.88Å; L350-F352 HydrophobicContact CB-CZ 3.93Å; L350-F352 HydrophobicContact CD1-CZ 4.18Å; F352-V355 HydrophobicContact CB-CB 4.43Å; F352-V355 PolarHBondContact O-N 3.28Å; F352-L360 HydrophobicContact CB-CD2 4.45Å; F352-L360 HydrophobicContact CD2-CD2 3.65Å; F352-L360 HydrophobicContact CE2-CD2 4.05Å; F352-L360 HydrophobicContact CG-CD2 4.04Å; F352-S398 PolarHBondContact N-O 3.17Å; F352-S398 PolarHBondContact N-OG 3.08Å; F352-S398 WeakPolarHBondContact O-CB 3.47Å; F352-S398 PolarHBondContact O-OG 3.36Å; F352-S398 VanDerWaalsContact O-OG 3.1Å; F352-I400 HydrophobicContact CD2-CG1 4.14Å; F352-I400 HydrophobicContact CE2-CB 4.08Å; F352-I400 HydrophobicContact CE2-CG1 3.97Å; F352-F402 HydrophobicContact CE2-CE2 4.18Å; F352-F402 HydrophobicContact CE2-CZ 4.32Å; F352-F402 HydrophobicContact CZ-CE2 4.18Å; F352-F402 HydrophobicContact CZ-CZ 4.17Å; F352-C420 VanDerWaalsContact CZ-SG 3.59Å; F352-V424 HydrophobicContact CD1-CG1 4.34Å; F352-V424 HydrophobicContact CD1-CG2 3.72Å; F352-V424 HydrophobicContact CE1-CG2 4.13Å; F352-V424 HydrophobicContact CG-CG2 4.15Å
353	A	93.8	Very high	93.5	Very high	10 Å²	10	27.7 Å²	27.7	8%	0.083	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	146.6	-178.2	0	0	0	0	0	111.6	D333 V355 L395 R428	D333-A353 HydrophobicContact CB-CB 3.69Å; D333-A353 WeakPolarHBondContact O-CB 3Å; D333-A353 PolarHBondContact O-N 3.47Å; A353-V355 PolarHBondContact O-N 2.94Å; A353-L395 HydrophobicContact CB-CD2 3.79Å; A353-R428 PolarHBondContact O-NE 3.14Å; A353-R428 PolarHBondContact O-NH2 2.88Å
354	Y	92.9	Very high	93.4	Very high	53 Å²	53	26.8 Å²	26.8	21%	0.208	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	16.2	176.2	-33.3	-67.9	0	0	0	115.2	D333 S431 L433 W434 V437 L443	D333-Y354 HydrophobicContact CB-CD2 4.49Å; D333-Y354 HydrophobicContact CB-CE2 3.83Å; Y354-S431 VanDerWaalsContact O-CB 3.24Å; Y354-S431 WeakPolarHBondContact O-CB 3.37Å; Y354-S431 PolarHBondContact O-OG 3.35Å; Y354-L433 HydrophobicContact CD1-CB 4.1Å; Y354-W434 HydrophobicContact CD2-CD2 4.35Å; Y354-W434 AromaticContact CD2-CE3 3.16Å; Y354-W434 HydrophobicContact CD2-CE3 3.16Å; Y354-W434 AromaticContact CD2-CZ3 3.47Å; Y354-W434 HydrophobicContact CD2-CZ3 3.47Å; Y354-W434 VanDerWaalsContact CD2-CZ3 3.47Å; Y354-W434 AromaticContact CE2-CE3 3.65Å; Y354-W434 HydrophobicContact CE2-CE3 3.65Å; Y354-W434 AromaticContact CE2-CZ3 3.55Å; Y354-W434 HydrophobicContact CE2-CZ3 3.55Å; Y354-W434 AromaticContact CG-CE3 3.8Å; Y354-W434 HydrophobicContact CG-CE3 3.8Å; Y354-W434 HydrophobicContact CG-CZ3 4.5Å; Y354-V437 HydrophobicContact CD1-CG2 4.3Å; Y354-V437 HydrophobicContact CE1-CB 4.44Å; Y354-V437 HydrophobicContact CE1-CG2 3.62Å; Y354-L443 HydrophobicContact CD1-CD1 4.06Å; Y354-L443 HydrophobicContact CE1-CD1 3.69Å
355	V	91.6	Very high	93.1	Very high	11 Å²	11	34 Å²	34	7%	0.067	17%	0.17	C	C	.	.	S	Bend	trans	-127	135.7	176	177.9	0	0	0	0	109.1	F352 A353 L360 S398 V424 L427 R428	F352-V355 HydrophobicContact CB-CB 4.43Å; F352-V355 PolarHBondContact O-N 3.28Å; A353-V355 PolarHBondContact O-N 2.94Å; V355-L360 HydrophobicContact CG1-CB 3.95Å; V355-L360 HydrophobicContact CG1-CD2 4.41Å; V355-S398 WeakPolarHBondContact O-CB 3.35Å; V355-V424 HydrophobicContact CG2-CG1 4.11Å; V355-L427 HydrophobicContact CG1-CB 3.9Å; V355-L427 HydrophobicContact CG1-CD1 3.63Å; V355-L427 HydrophobicContact CG1-CG 4.36Å; V355-L427 HydrophobicContact CG2-CB 4.12Å; V355-R428 HydrophobicContact CG2-CG 3.61Å
356	E	85.7	Confident	92.9	Very high	113 Å²	113	35.9 Å²	35.9	53%	0.528	18%	0.179	S	C	.	.			trans	-77.9	130.3	171.3	-173.6	-168	-155	0	0	110.4	E358 S359 L360	E356-E358 PolarHBondContact O-N 3.3Å; E356-S359 PolarHBondContact O-N 2.78Å; E356-S359 PolarHBondContact OE2-OG 3.46Å; E356-L360 PolarHBondContact O-N 3.28Å
357	G	84.4	Confident	92.9	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-35.3	-173.8	0	0	0	0	0	114.1	L360 L361 H397	G357-L360 PolarHBondContact O-N 3.24Å; G357-L361 WeakPolarHBondContact O-CG 3.35Å; G357-L361 PolarHBondContact O-N 2.68Å; G357-H397 WeakPolarHBondContact CA-O 3.49Å; G357-H397 PolarHBondContact N-O 2.87Å
358	E	84.2	Confident	92.8	Very high	92 Å²	92	37.8 Å²	37.8	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-46.1	175.8	-65.7	-165.9	169.2	0	0	111.4	E356 L360 L361 M362	E356-E358 PolarHBondContact O-N 3.3Å; E358-L360 VanDerWaalsContact C-N 3.26Å; E358-L360 PolarHBondContact O-N 3.03Å; E358-L361 PolarHBondContact O-N 3.01Å; E358-L361 VanDerWaalsContact O-N 3.16Å; E358-M362 WeakPolarHBondContact O-CG 3.48Å; E358-M362 PolarHBondContact O-N 2.92Å
359	S	90.6	Very high	92.5	Very high	38 Å²	38	38.8 Å²	38.8	27%	0.266	20%	0.2	S	C	.	.	H	α-helix	trans	-57.6	-39.6	173.4	-73.8	0	0	0	0	111.9	E356 A363	E356-S359 PolarHBondContact O-N 2.78Å; E356-S359 PolarHBondContact OE2-OG 3.46Å; S359-A363 VanDerWaalsContact O-CB 3.3Å; S359-A363 WeakPolarHBondContact O-CB 3.39Å; S359-A363 PolarHBondContact O-N 2.87Å
360	L	92.6	Very high	92.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-41.8	175.2	-177.5	57.3	0	0	0	112.8	F352 V355 E356 G357 E358 A363 L364 I400 H423 V424 L427	F352-L360 HydrophobicContact CB-CD2 4.45Å; F352-L360 HydrophobicContact CD2-CD2 3.65Å; F352-L360 HydrophobicContact CE2-CD2 4.05Å; F352-L360 HydrophobicContact CG-CD2 4.04Å; V355-L360 HydrophobicContact CG1-CB 3.95Å; V355-L360 HydrophobicContact CG1-CD2 4.41Å; E356-L360 PolarHBondContact O-N 3.28Å; G357-L360 PolarHBondContact O-N 3.24Å; E358-L360 VanDerWaalsContact C-N 3.26Å; E358-L360 PolarHBondContact O-N 3.03Å; L360-A363 PolarHBondContact O-N 3.2Å; L360-L364 HydrophobicContact CD1-CD1 3.91Å; L360-L364 HydrophobicContact CD1-CG 4.2Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 WeakPolarHBondContact O-CB 3.2Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.2Å; L360-L364 PolarHBondContact O-N 3.25Å; L360-I400 HydrophobicContact CD2-CD1 4.27Å; L360-I400 HydrophobicContact CD2-CG1 3.7Å; L360-I400 HydrophobicContact CG-CD1 4.49Å; L360-I400 HydrophobicContact CG-CG1 4.34Å; L360-H423 HydrophobicContact CD1-CB 4.16Å; L360-V424 HydrophobicContact CD1-CG2 3.77Å; L360-V424 HydrophobicContact CD2-CG2 3.96Å; L360-L427 HydrophobicContact CB-CD1 3.97Å; L360-L427 HydrophobicContact CD1-CD1 4Å
361	L	91.5	Very high	91.4	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-43.3	174.7	-74.4	175.1	0	0	0	111.8	G357 E358 A363 L364 L369 I400	G357-L361 WeakPolarHBondContact O-CG 3.35Å; G357-L361 PolarHBondContact O-N 2.68Å; E358-L361 PolarHBondContact O-N 3.01Å; E358-L361 VanDerWaalsContact O-N 3.16Å; L361-A363 VanDerWaalsContact C-N 3.31Å; L361-A363 PolarHBondContact O-N 3.04Å; L361-L364 CarbonylContact O-C 3.54Å; L361-L364 PolarHBondContact O-N 2.98Å; L361-L369 HydrophobicContact CD2-CB 3.72Å; L361-I400 HydrophobicContact CD1-CD1 4.47Å; L361-I400 HydrophobicContact CD2-CD1 3.78Å; L361-I400 HydrophobicContact CD2-CG2 4.49Å; L361-I400 HydrophobicContact CG-CD1 3.74Å
362	M	91.4	Very high	89.8	Confident	146 Å²	146	40.2 Å²	40.2	72%	0.719	21%	0.211	S	C	*	.	H	α-helix	trans	-63.1	-38.8	175.7	-70.9	177.7	67.2	0	0	111.8	E358 L364 K365	E358-M362 WeakPolarHBondContact O-CG 3.48Å; E358-M362 PolarHBondContact O-N 2.92Å; M362-L364 VanDerWaalsContact C-N 3.31Å; M362-K365 PolarHBondContact O-N 2.87Å
363	A	93.6	Very high	88	Confident	25 Å²	25	41.4 Å²	41.4	21%	0.207	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-35.6	175.1	0	0	0	0	0	111.9	S359 L360 L361 K365 H423 L427	S359-A363 VanDerWaalsContact O-CB 3.3Å; S359-A363 WeakPolarHBondContact O-CB 3.39Å; S359-A363 PolarHBondContact O-N 2.87Å; L360-A363 PolarHBondContact O-N 3.2Å; L361-A363 VanDerWaalsContact C-N 3.31Å; L361-A363 PolarHBondContact O-N 3.04Å; A363-K365 PolarHBondContact O-N 3.21Å; A363-H423 HydrophobicContact CB-CB 3.83Å; A363-H423 PolarHBondContact O-NE2 3.13Å; A363-L427 HydrophobicContact CB-CD1 4.32Å
364	L	93.9	Very high	85.7	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	33.6	175.9	-66.4	171.2	0	0	0	113.5	L360 L361 M362 D366 V367 L369 K419	L360-L364 HydrophobicContact CD1-CD1 3.91Å; L360-L364 HydrophobicContact CD1-CG 4.2Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 WeakPolarHBondContact O-CB 3.2Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.2Å; L360-L364 PolarHBondContact O-N 3.25Å; L361-L364 CarbonylContact O-C 3.54Å; L361-L364 PolarHBondContact O-N 2.98Å; M362-L364 VanDerWaalsContact C-N 3.31Å; L364-D366 PolarHBondContact O-N 2.61Å; L364-V367 CarbonylContact O-C 3.6Å; L364-V367 PolarHBondContact O-N 3.23Å; L364-L369 HydrophobicContact CB-CD1 4.35Å; L364-L369 HydrophobicContact CD1-CD1 3.72Å; L364-K419 HydrophobicContact CD2-CB 3.75Å
365	K	92.8	Very high	83.6	Confident	161 Å²	161	44.4 Å²	44.4	70%	0.7	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.5	-178.7	67.2	-178.3	-177.1	-179	0	115.6	M362 A363 V367	M362-K365 PolarHBondContact O-N 2.87Å; A363-K365 PolarHBondContact O-N 3.21Å; K365-V367 VanDerWaalsContact C-N 3.25Å; K365-V367 PolarHBondContact O-N 2.79Å
366	D	94.3	Very high	81.4	Confident	55 Å²	55	46.2 Å²	46.2	29%	0.294	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2	179.3	-53.8	-36.4	0	0	0	112.4	P52 L53 L364 Y415 K419	P52-D366 CarbonylContact C-O 3.6Å; P52-D366 VanDerWaalsContact CA-O 3.24Å; P52-D366 WeakPolarHBondContact CA-O 3.39Å; P52-D366 WeakPolarHBondContact CB-O 3.48Å; L53-D366 PolarHBondContact N-O 3.02Å; L364-D366 PolarHBondContact O-N 2.61Å; D366-Y415 HydrophobicContact CB-CE1 4.13Å; D366-K419 IonicContact OD2-NZ 3.52Å; D366-K419 PolarHBondContact OD2-NZ 3.05Å
367	V	96.1	Very high	79.3	Confident	7 Å²	7	47 Å²	47	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	114.5	-179	-168.7	0	0	0	0	109.8	L53 M55 L364 K365 L369 Y415 T416	L53-V367 HydrophobicContact CB-CG1 4.38Å; M55-V367 HydrophobicContact CB-CG1 3.9Å; M55-V367 HydrophobicContact CG-CG1 3.61Å; L364-V367 CarbonylContact O-C 3.6Å; L364-V367 PolarHBondContact O-N 3.23Å; K365-V367 VanDerWaalsContact C-N 3.25Å; K365-V367 PolarHBondContact O-N 2.79Å; V367-L369 HydrophobicContact CB-CD1 4.24Å; V367-L369 HydrophobicContact CB-CG 4.43Å; V367-L369 HydrophobicContact CG1-CD1 3.96Å; V367-L369 HydrophobicContact CG1-CD2 4.28Å; V367-L369 HydrophobicContact CG1-CG 3.84Å; V367-L369 PolarHBondContact O-N 3.02Å; V367-Y415 HydrophobicContact CG2-CD1 4.43Å; V367-Y415 HydrophobicContact CG2-CE1 4.49Å; V367-T416 HydrophobicContact CG1-CG2 4.09Å
368	A	95.9	Very high	77.4	Confident	33 Å²	33	51.8 Å²	51.8	27%	0.273	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	113	174	0	0	0	0	0	110.3	L53 Y54 M55 D56	L53-A368 WeakPolarHBondContact O-CB 3.31Å; L53-A368 PolarHBondContact O-N 3.21Å; Y54-A368 HydrophobicContact CD2-CB 3.98Å; Y54-A368 HydrophobicContact CE2-CB 4.46Å; M55-A368 CarbonylContact C-O 3.51Å; M55-A368 VanDerWaalsContact C-O 3.28Å; M55-A368 WeakPolarHBondContact CA-O 3.23Å; M55-A368 PolarHBondContact N-O 3.35Å; D56-A368 PolarHBondContact N-O 3.21Å
369	L	93.6	Very high	76	Confident	22 Å²	22	49.4 Å²	49.4	12%	0.115	31%	0.312	C	S	.	.			trans	-134	173.6	-178.1	-69.4	165.1	0	0	0	109.9	M55 L361 L364 V367 I400 F402	M55-L369 HydrophobicContact CB-CD2 3.52Å; M55-L369 HydrophobicContact CB-CG 4.35Å; L361-L369 HydrophobicContact CD2-CB 3.72Å; L364-L369 HydrophobicContact CB-CD1 4.35Å; L364-L369 HydrophobicContact CD1-CD1 3.72Å; V367-L369 HydrophobicContact CB-CD1 4.24Å; V367-L369 HydrophobicContact CB-CG 4.43Å; V367-L369 HydrophobicContact CG1-CD1 3.96Å; V367-L369 HydrophobicContact CG1-CD2 4.28Å; V367-L369 HydrophobicContact CG1-CG 3.84Å; V367-L369 PolarHBondContact O-N 3.02Å; L369-I400 HydrophobicContact CB-CG2 4.22Å; L369-I400 HydrophobicContact CD1-CG2 4.08Å; L369-I400 HydrophobicContact CD2-CG2 4.46Å; L369-I400 HydrophobicContact CG-CG2 4.49Å; L369-F402 HydrophobicContact CD1-CD1 4.18Å; L369-F402 HydrophobicContact CD1-CE1 3.79Å; L369-F402 HydrophobicContact CD2-CB 4.34Å; L369-F402 HydrophobicContact CD2-CD1 3.42Å; L369-F402 VanDerWaalsContact CD2-CD1 3.42Å; L369-F402 HydrophobicContact CD2-CE1 3.92Å; L369-F402 HydrophobicContact CD2-CG 4.05Å; L369-F402 HydrophobicContact CG-CD1 4.47Å
370	S	87.3	Confident	74.7	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.6	178.2	176.8	0	0	0	0	110	D56 A374 R401	D56-S370 WeakPolarHBondContact OD1-CB 3.28Å; S370-A374 WeakPolarHBondContact OG-CB 3.43Å; S370-R401 PolarHBondContact O-N 2.96Å; S370-R401 PolarHBondContact OG-NH2 3.13Å
371	S	82.2	Confident	73.8	Confident	16 Å²	16	59.8 Å²	59.8	11%	0.112	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	161.7	157.7	54.4	0	0	0	0	109.4	S373 A374	S371-S373 PolarHBondContact O-N 3.37Å; S371-S373 VanDerWaalsContact O-N 3.11Å; S371-S373 PolarHBondContact OG-OG 3.41Å; S371-S373 VanDerWaalsContact OG-OG 3.06Å; S371-A374 WeakPolarHBondContact O-CB 3.25Å; S371-A374 PolarHBondContact O-N 3.34Å; S371-A374 VanDerWaalsContact O-N 3.15Å
372	G	62.4	Low	73.3	Confident	10 Å²	10	58.8 Å²	58.8	10%	0.103	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.3	177.7	0	0	0	0	0	114.6
373	S	56.6	Low	73.2	Confident	26 Å²	26	52 Å²	52	18%	0.182	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.9	177.3	50.6	0	0	0	0	114.4	S371 C375 T376	S371-S373 PolarHBondContact O-N 3.37Å; S371-S373 VanDerWaalsContact O-N 3.11Å; S371-S373 PolarHBondContact OG-OG 3.41Å; S371-S373 VanDerWaalsContact OG-OG 3.06Å; S373-C375 VanDerWaalsContact C-N 3.25Å; S373-C375 PolarHBondContact O-N 2.86Å; S373-T376 PolarHBondContact O-N 3.18Å; S373-T376 PolarHBondContact O-OG1 3.45Å
374	A	45.5	Very low	73.1	Confident	51 Å²	51	52.4 Å²	52.4	42%	0.421	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.3	-162.8	0	0	0	0	0	115.8	S370 S371 T376	S370-A374 WeakPolarHBondContact OG-CB 3.43Å; S371-A374 WeakPolarHBondContact O-CB 3.25Å; S371-A374 PolarHBondContact O-N 3.34Å; S371-A374 VanDerWaalsContact O-N 3.15Å; A374-T376 PolarHBondContact O-N 2.9Å
375	C	50.3	Low	73.2	Confident	75 Å²	75	52.3 Å²	52.3	51%	0.507	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.3	173.1	-70.9	0	0	0	0	113	S373	S373-C375 VanDerWaalsContact C-N 3.25Å; S373-C375 PolarHBondContact O-N 2.86Å
376	T	45.2	Very low	73.3	Confident	49 Å²	49	44.6 Å²	44.6	30%	0.301	29%	0.286	S	S	.	.			trans	-113.1	79	172	49	0	0	0	0	108.7	S373 A374 A378 S379	S373-T376 PolarHBondContact O-N 3.18Å; S373-T376 PolarHBondContact O-OG1 3.45Å; A374-T376 PolarHBondContact O-N 2.9Å; T376-A378 PolarHBondContact O-N 2.91Å; T376-S379 WeakPolarHBondContact CB-OG 3.48Å; T376-S379 PolarHBondContact O-N 3.44Å; T376-S379 PolarHBondContact OG1-OG 2.97Å
377	S	42	Very low	73.2	Confident	129 Å²	129	48.9 Å²	48.9	90%	0.902	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	7.6	-178.7	60.9	0	0	0	0	115.4
378	A	43.2	Very low	73.1	Confident	102 Å²	102	49.4 Å²	49.4	84%	0.843	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-9.7	-174.4	0	0	0	0	0	114.5	T376	T376-A378 PolarHBondContact O-N 2.91Å
379	S	54.5	Low	73.1	Confident	43 Å²	43	48.3 Å²	48.3	30%	0.301	29%	0.292	S	S	.	.			trans	-127.3	126.4	-177.8	59.5	0	0	0	0	111.2	T376 E381	T376-S379 WeakPolarHBondContact CB-OG 3.48Å; T376-S379 PolarHBondContact O-N 3.44Å; T376-S379 PolarHBondContact OG1-OG 2.97Å; S379-E381 PolarHBondContact O-N 2.84Å; S379-E381 VanDerWaalsContact O-N 3.07Å
380	L	64.2	Low	73.1	Confident	138 Å²	138	49.6 Å²	49.6	72%	0.723	31%	0.311	S	S	*	.			trans	-66.9	4.8	171.1	-92.3	118.2	0	0	0	113.7	H397	L380-H397 PolarHBondContact O-CE1 3.49Å
381	E	72.7	Confident	73.2	Confident	119 Å²	119	50.6 Å²	50.6	56%	0.556	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-62.8	140	-178.4	-68.1	-176	-176.2	0	0	111.6	S379	S379-E381 PolarHBondContact O-N 2.84Å; S379-E381 VanDerWaalsContact O-N 3.07Å
382	P	80.7	Confident	73.5	Confident	20 Å²	20	54.3 Å²	54.3	13%	0.13	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61.3	157.9	174.7	25.2	-32.6	0	0	0	111	Y384 E393 A396	P382-Y384 PolarHBondContact O-N 3.18Å; P382-Y384 VanDerWaalsContact O-N 3.11Å; P382-E393 HydrophobicContact CG-CG 4.26Å; P382-A396 HydrophobicContact CB-CB 3.98Å
383	S	89.6	Confident	74.5	Confident	4 Å²	4	60 Å²	60	3%	0.028	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-55.4	121.3	178.4	167.5	0	0	0	0	111.2	E202 V385 L386 R387	E202-S383 WeakPolarHBondContact OE2-CB 3.45Å; E202-S383 PolarHBondContact OE2-OG 3.13Å; S383-V385 PolarHBondContact O-N 2.76Å; S383-V385 PolarHBondContact OG-N 3.12Å; S383-V385 VanDerWaalsContact OG-N 3.15Å; S383-L386 PolarHBondContact O-N 2.84Å; S383-L386 PolarHBondContact OG-N 3.48Å; S383-L386 VanDerWaalsContact OG-N 3.16Å; S383-R387 PolarHBondContact O-N 3.05Å
384	Y	92	Very high	75.8	Confident	33 Å²	33	64.7 Å²	64.7	13%	0.129	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-24.6	173.6	66	-81.6	0	0	0	112	E149 K151 L154 P382 A388	E149-Y384 WeakPolarHBondContact O-CE2 3.4Å; E149-Y384 PolarHBondContact O-OH 2.93Å; K151-Y384 HydrophobicContact CD-CE1 4.15Å; K151-Y384 VanDerWaalsContact CE-CE1 3.41Å; K151-Y384 HydrophobicContact CG-CE1 4.16Å; L154-Y384 HydrophobicContact CD1-CD2 3.99Å; L154-Y384 HydrophobicContact CD1-CE2 3.52Å; P382-Y384 PolarHBondContact O-N 3.18Å; P382-Y384 VanDerWaalsContact O-N 3.11Å; Y384-A388 VanDerWaalsContact O-CB 3.3Å; Y384-A388 WeakPolarHBondContact O-CB 3.26Å; Y384-A388 PolarHBondContact O-N 3.29Å
385	V	95.4	Very high	77.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-71.2	-45.1	174.2	177.8	0	0	0	0	110.5	T148 E202 I203 S383 A388 I389	T148-V385 HydrophobicContact CG2-CG1 4.05Å; E202-V385 HydrophobicContact CB-CB 4.45Å; E202-V385 HydrophobicContact CB-CG1 4.37Å; E202-V385 HydrophobicContact CG-CG2 4.28Å; E202-V385 VanDerWaalsContact OE1-CG2 3.3Å; E202-V385 WeakPolarHBondContact OE1-CG2 3.35Å; I203-V385 HydrophobicContact CD1-CG1 4.19Å; I203-V385 HydrophobicContact CG1-CG1 4.21Å; I203-V385 HydrophobicContact CG2-CG1 4.24Å; S383-V385 PolarHBondContact O-N 2.76Å; S383-V385 PolarHBondContact OG-N 3.12Å; S383-V385 VanDerWaalsContact OG-N 3.15Å; V385-A388 PolarHBondContact O-N 3.46Å; V385-I389 PolarHBondContact O-N 2.96Å
386	L	94.6	Very high	79.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.9	-39.8	177.5	-63.2	-177.5	0	0	0	111.7	I203 N337 S383 A388 I389 G390 T391 A396 S399	I203-L386 HydrophobicContact CG2-CD2 3.77Å; N337-L386 HydrophobicContact CB-CD2 3.73Å; S383-L386 PolarHBondContact O-N 2.84Å; S383-L386 PolarHBondContact OG-N 3.48Å; S383-L386 VanDerWaalsContact OG-N 3.16Å; L386-A388 VanDerWaalsContact C-N 3.3Å; L386-A388 PolarHBondContact O-N 3.1Å; L386-I389 HydrophobicContact CD2-CD1 4.07Å; L386-I389 WeakPolarHBondContact O-CG1 3.38Å; L386-I389 PolarHBondContact O-N 2.92Å; L386-G390 PolarHBondContact O-N 3.44Å; L386-T391 WeakPolarHBondContact O-CB 3.46Å; L386-T391 PolarHBondContact O-N 2.81Å; L386-T391 VanDerWaalsContact O-N 3.07Å; L386-T391 PolarHBondContact O-OG1 3.19Å; L386-A396 HydrophobicContact CB-CB 3.97Å; L386-A396 HydrophobicContact CD1-CB 4.21Å; L386-S399 VanDerWaalsContact CD1-OG 3.31Å; L386-S399 WeakPolarHBondContact CD1-OG 3.5Å
387	R	93.3	Very high	81.5	Confident	145 Å²	145	62.5 Å²	62.5	55%	0.547	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-39.4	171.9	-172.5	172	61	-147.9	-2.3	112.1	S383 I389 G390	S383-R387 PolarHBondContact O-N 3.05Å; R387-I389 VanDerWaalsContact C-N 3.33Å; R387-I389 PolarHBondContact O-N 2.79Å; R387-G390 PolarHBondContact O-N 2.76Å
388	A	94.5	Very high	83.7	Confident	17 Å²	17	56.5 Å²	56.5	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-68.4	-26.5	179.9	0	0	0	0	0	114	Q147 T148 V172 Y384 V385 L386 G390	Q147-A388 HydrophobicContact CB-CB 4.04Å; T148-A388 HydrophobicContact CG2-CB 3.76Å; V172-A388 HydrophobicContact CG2-CB 4.42Å; Y384-A388 VanDerWaalsContact O-CB 3.3Å; Y384-A388 WeakPolarHBondContact O-CB 3.26Å; Y384-A388 PolarHBondContact O-N 3.29Å; V385-A388 PolarHBondContact O-N 3.46Å; L386-A388 VanDerWaalsContact C-N 3.3Å; L386-A388 PolarHBondContact O-N 3.1Å; A388-G390 VanDerWaalsContact C-N 3.27Å
389	I	95.9	Very high	86.1	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.051	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	1.5	171.8	65.1	170.7	0	0	0	112.9	V172 K174 I203 N337 V385 L386 R387 T391	V172-I389 HydrophobicContact CG2-CG2 3.74Å; K174-I389 WeakPolarHBondContact CA-O 3.47Å; I203-I389 HydrophobicContact CD1-CG2 4.16Å; N337-I389 HydrophobicContact CB-CD1 4.06Å; V385-I389 PolarHBondContact O-N 2.96Å; L386-I389 HydrophobicContact CD2-CD1 4.07Å; L386-I389 WeakPolarHBondContact O-CG1 3.38Å; L386-I389 PolarHBondContact O-N 2.92Å; R387-I389 VanDerWaalsContact C-N 3.33Å; R387-I389 PolarHBondContact O-N 2.79Å; I389-T391 WeakPolarHBondContact CG1-OG1 3.22Å
390	G	93	Very high	88	Confident	50 Å²	50	49.7 Å²	49.7	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	27.7	178.5	0	0	0	0	0	114.2	L386 R387 A388	L386-G390 PolarHBondContact O-N 3.44Å; R387-G390 PolarHBondContact O-N 2.76Å; A388-G390 VanDerWaalsContact C-N 3.27Å
391	T	90.2	Very high	89.5	Confident	25 Å²	25	43.4 Å²	43.4	15%	0.153	23%	0.225	C	C	.	.			trans	-68.6	132.1	168.7	-56.8	0	0	0	0	109.2	L386 I389 L395 A396	L386-T391 WeakPolarHBondContact O-CB 3.46Å; L386-T391 PolarHBondContact O-N 2.81Å; L386-T391 VanDerWaalsContact O-N 3.07Å; L386-T391 PolarHBondContact O-OG1 3.19Å; I389-T391 WeakPolarHBondContact CG1-OG1 3.22Å; T391-L395 HydrophobicContact CG2-CB 3.57Å; T391-A396 HydrophobicContact CG2-CB 4.37Å
392	D	88.3	Confident	90.7	Very high	94 Å²	94	37.7 Å²	37.7	50%	0.503	20%	0.199	S	C	.	.			trans	-55.1	143.4	174.4	-65.7	-26.6	0	0	0	110.1	D394 L395 A396	D392-D394 VanDerWaalsContact C-N 3.3Å; D392-D394 PolarHBondContact O-N 2.75Å; D392-L395 HydrophobicContact CB-CD1 4.44Å; D392-L395 WeakPolarHBondContact O-CA 3.43Å; D392-L395 WeakPolarHBondContact O-CB 3.49Å; D392-L395 PolarHBondContact O-N 3.17Å; D392-A396 PolarHBondContact O-N 2.87Å
393	E	83.5	Confident	91.5	Very high	131 Å²	131	36.8 Å²	36.8	61%	0.612	19%	0.192	S	C	*	.	H	α-helix	trans	-55.7	-44.3	-172.2	-171.3	163.6	-164.2	0	0	112.3	P382 L395 A396 H397	P382-E393 HydrophobicContact CG-CG 4.26Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.89Å; E393-A396 WeakPolarHBondContact O-CB 3.43Å; E393-A396 PolarHBondContact O-N 2.99Å; E393-A396 VanDerWaalsContact O-N 3.08Å; E393-H397 PolarHBondContact O-CD2 3.34Å; E393-H397 VanDerWaalsContact O-CD2 3.26Å; E393-H397 PolarHBondContact O-N 3.31Å; E393-H397 VanDerWaalsContact O-N 3.11Å
394	D	83.1	Confident	91.9	Very high	123 Å²	123	36.6 Å²	36.6	66%	0.658	19%	0.191	S	C	*	.	H	α-helix	trans	-59.7	-39.2	176.5	-56.3	-21.2	0	0	0	112.4	D392 H397 S398	D392-D394 VanDerWaalsContact C-N 3.3Å; D392-D394 PolarHBondContact O-N 2.75Å; D394-H397 PolarHBondContact O-N 3.18Å; D394-S398 PolarHBondContact O-N 3.45Å
395	L	88	Confident	92.2	Very high	44 Å²	44	35 Å²	35	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-73.7	-31.7	176.7	-72.6	179.2	0	0	0	112.1	S351 A353 T391 D392 E393 H397 S398 S399	S351-L395 PolarHBondContact OG-O 3.01Å; A353-L395 HydrophobicContact CB-CD2 3.79Å; T391-L395 HydrophobicContact CG2-CB 3.57Å; D392-L395 HydrophobicContact CB-CD1 4.44Å; D392-L395 WeakPolarHBondContact O-CA 3.43Å; D392-L395 WeakPolarHBondContact O-CB 3.49Å; D392-L395 PolarHBondContact O-N 3.17Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.89Å; L395-H397 VanDerWaalsContact C-N 3.28Å; L395-H397 PolarHBondContact O-N 2.84Å; L395-S398 WeakPolarHBondContact CA-OG 3.41Å; L395-S398 PolarHBondContact O-N 3.39Å; L395-S398 VanDerWaalsContact O-N 3.15Å; L395-S398 PolarHBondContact O-OG 3.44Å; L395-S399 PolarHBondContact O-N 2.87Å; L395-S399 PolarHBondContact O-OG 3.33Å
396	A	87.7	Confident	92.4	Very high	7 Å²	7	36.2 Å²	36.2	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-37.1	174.8	0	0	0	0	0	111	P382 L386 T391 D392 E393 S398	P382-A396 HydrophobicContact CB-CB 3.98Å; L386-A396 HydrophobicContact CB-CB 3.97Å; L386-A396 HydrophobicContact CD1-CB 4.21Å; T391-A396 HydrophobicContact CG2-CB 4.37Å; D392-A396 PolarHBondContact O-N 2.87Å; E393-A396 WeakPolarHBondContact O-CB 3.43Å; E393-A396 PolarHBondContact O-N 2.99Å; E393-A396 VanDerWaalsContact O-N 3.08Å; A396-S398 VanDerWaalsContact C-N 3.3Å; A396-S398 PolarHBondContact O-N 3.3Å
397	H	85.6	Confident	92.5	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.366	21%	0.21	S	C	.	.	H	α-helix	trans	-69.6	-23.3	173.4	-78.6	-74.8	0	0	0	113.8	G357 L380 E393 D394 L395	G357-H397 WeakPolarHBondContact CA-O 3.49Å; G357-H397 PolarHBondContact N-O 2.87Å; L380-H397 PolarHBondContact O-CE1 3.49Å; E393-H397 PolarHBondContact O-CD2 3.34Å; E393-H397 VanDerWaalsContact O-CD2 3.26Å; E393-H397 PolarHBondContact O-N 3.31Å; E393-H397 VanDerWaalsContact O-N 3.11Å; D394-H397 PolarHBondContact O-N 3.18Å; L395-H397 VanDerWaalsContact C-N 3.28Å; L395-H397 PolarHBondContact O-N 2.84Å
398	S	88	Confident	92.8	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.021	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	16.3	-179.7	74.9	0	0	0	0	114.6	F352 V355 D394 L395 A396	F352-S398 PolarHBondContact N-O 3.17Å; F352-S398 PolarHBondContact N-OG 3.08Å; F352-S398 WeakPolarHBondContact O-CB 3.47Å; F352-S398 PolarHBondContact O-OG 3.36Å; F352-S398 VanDerWaalsContact O-OG 3.1Å; V355-S398 WeakPolarHBondContact O-CB 3.35Å; D394-S398 PolarHBondContact O-N 3.45Å; L395-S398 WeakPolarHBondContact CA-OG 3.41Å; L395-S398 PolarHBondContact O-N 3.39Å; L395-S398 VanDerWaalsContact O-N 3.15Å; L395-S398 PolarHBondContact O-OG 3.44Å; A396-S398 VanDerWaalsContact C-N 3.3Å; A396-S398 PolarHBondContact O-N 3.3Å
399	S	93.2	Very high	93	Very high	1 Å²	1	36 Å²	36	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.9	-171.9	-62.3	0	0	0	0	113.5	N337 L350 S351 L386 L395	N337-S399 PolarHBondContact ND2-OG 3.46Å; L350-S399 CarbonylContact O-C 2.96Å; L350-S399 WeakPolarHBondContact O-CA 3.46Å; S351-S399 PolarHBondContact OG-OG 3.47Å; L386-S399 VanDerWaalsContact CD1-OG 3.31Å; L386-S399 WeakPolarHBondContact CD1-OG 3.5Å; L395-S399 PolarHBondContact O-N 2.87Å; L395-S399 PolarHBondContact O-OG 3.33Å
400	I	94.3	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	179.6	-53.2	-61.8	0	0	0	110.3	N349 L350 F352 L360 L361 L369 F402	N349-I400 WeakPolarHBondContact CA-O 3.4Å; L350-I400 PolarHBondContact N-O 3.17Å; L350-I400 PolarHBondContact O-N 3.22Å; F352-I400 HydrophobicContact CD2-CG1 4.14Å; F352-I400 HydrophobicContact CE2-CB 4.08Å; F352-I400 HydrophobicContact CE2-CG1 3.97Å; L360-I400 HydrophobicContact CD2-CD1 4.27Å; L360-I400 HydrophobicContact CD2-CG1 3.7Å; L360-I400 HydrophobicContact CG-CD1 4.49Å; L360-I400 HydrophobicContact CG-CG1 4.34Å; L361-I400 HydrophobicContact CD1-CD1 4.47Å; L361-I400 HydrophobicContact CD2-CD1 3.78Å; L361-I400 HydrophobicContact CD2-CG2 4.49Å; L361-I400 HydrophobicContact CG-CD1 3.74Å; L369-I400 HydrophobicContact CB-CG2 4.22Å; L369-I400 HydrophobicContact CD1-CG2 4.08Å; L369-I400 HydrophobicContact CD2-CG2 4.46Å; L369-I400 HydrophobicContact CG-CG2 4.49Å; I400-F402 HydrophobicContact CB-CE2 3.84Å; I400-F402 HydrophobicContact CB-CZ 4.09Å; I400-F402 HydrophobicContact CG2-CD2 4.2Å; I400-F402 HydrophobicContact CG2-CE1 4.15Å; I400-F402 HydrophobicContact CG2-CE2 3.68Å; I400-F402 HydrophobicContact CG2-CZ 3.65Å
401	R	96.1	Very high	93.3	Very high	6 Å²	6	42.6 Å²	42.6	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.1	172.5	-172.3	-174.1	71.2	-156.6	-7.8	110.7	D56 N201 E202 I348 S370	D56-R401 IonicContact OD1-CZ 3.19Å; D56-R401 IonicContact OD1-NE 3.97Å; D56-R401 IonicContact OD1-NH2 3.09Å; D56-R401 PolarHBondContact OD1-NH2 3.03Å; N201-R401 WeakPolarHBondContact O-CD 3.46Å; N201-R401 PolarHBondContact O-NH1 2.81Å; E202-R401 WeakPolarHBondContact O-CD 3.28Å; E202-R401 WeakPolarHBondContact O-CG 3.48Å; I348-R401 CarbonylContact O-C 3.52Å; I348-R401 WeakPolarHBondContact O-CA 3.4Å; S370-R401 PolarHBondContact O-N 2.96Å; S370-R401 PolarHBondContact OG-NH2 3.13Å
402	F	97.6	Very high	93.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.1	172.1	-54.6	-96.1	0	0	0	109.9	L323 I327 I348 L350 F352 L369 I400 T416	L323-F402 HydrophobicContact CD1-CB 4.15Å; L323-F402 HydrophobicContact CD1-CD1 4.18Å; L323-F402 HydrophobicContact CD1-CG 4.26Å; L323-F402 HydrophobicContact CD2-CD2 4.44Å; L323-F402 HydrophobicContact CD2-CG 4.32Å; I327-F402 HydrophobicContact CD1-CZ 4.46Å; I348-F402 HydrophobicContact CB-CB 4.32Å; I348-F402 PolarHBondContact N-O 2.68Å; I348-F402 PolarHBondContact O-N 2.99Å; L350-F402 HydrophobicContact CB-CE2 4.45Å; L350-F402 HydrophobicContact CD1-CE2 4.28Å; L350-F402 HydrophobicContact CG-CE2 4.44Å; F352-F402 HydrophobicContact CE2-CE2 4.18Å; F352-F402 HydrophobicContact CE2-CZ 4.32Å; F352-F402 HydrophobicContact CZ-CE2 4.18Å; F352-F402 HydrophobicContact CZ-CZ 4.17Å; L369-F402 HydrophobicContact CD1-CD1 4.18Å; L369-F402 HydrophobicContact CD1-CE1 3.79Å; L369-F402 HydrophobicContact CD2-CB 4.34Å; L369-F402 HydrophobicContact CD2-CD1 3.42Å; L369-F402 VanDerWaalsContact CD2-CD1 3.42Å; L369-F402 HydrophobicContact CD2-CE1 3.92Å; L369-F402 HydrophobicContact CD2-CG 4.05Å; L369-F402 HydrophobicContact CG-CD1 4.47Å; I400-F402 HydrophobicContact CB-CE2 3.84Å; I400-F402 HydrophobicContact CB-CZ 4.09Å; I400-F402 HydrophobicContact CG2-CD2 4.2Å; I400-F402 HydrophobicContact CG2-CE1 4.15Å; I400-F402 HydrophobicContact CG2-CE2 3.68Å; I400-F402 HydrophobicContact CG2-CZ 3.65Å; F402-T416 HydrophobicContact CD1-CG2 4Å; F402-T416 HydrophobicContact CE1-CG2 3.91Å
403	G	97.9	Very high	94.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.8	175.1	0	0	0	0	0	111.6	M55 G346	M55-G403 CarbonylContact C-O 3.38Å; M55-G403 WeakPolarHBondContact CA-O 3.49Å; M55-G403 WeakPolarHBondContact O-CA 3.46Å; M55-G403 PolarHBondContact O-N 2.92Å; G346-G403 WeakPolarHBondContact O-CA 3.48Å
404	I	98.5	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.			trans	-108.4	129.4	174.1	-58.3	177.4	0	0	0	109	M55 I316 L319 A320 L323 G346 I348 T408 V413	M55-I404 HydrophobicContact CE-CG1 3.89Å; I316-I404 HydrophobicContact CB-CG2 4.45Å; I316-I404 HydrophobicContact CG1-CG2 4.27Å; I316-I404 HydrophobicContact CG2-CB 4.24Å; I316-I404 HydrophobicContact CG2-CG2 4.02Å; L319-I404 HydrophobicContact CB-CD1 4.15Å; L319-I404 HydrophobicContact CB-CG2 3.97Å; L319-I404 HydrophobicContact CD1-CG2 3.96Å; A320-I404 HydrophobicContact CB-CD1 4.11Å; L323-I404 HydrophobicContact CD1-CD1 4.24Å; G346-I404 WeakPolarHBondContact CA-O 3.12Å; G346-I404 PolarHBondContact O-N 2.92Å; I348-I404 HydrophobicContact CD1-CD1 3.77Å; I404-T408 HydrophobicContact CG2-CG2 4.05Å; I404-V413 HydrophobicContact CD1-CG2 4.47Å
405	G	98.2	Very high	95.7	Very high	1 Å²	1	33 Å²	33	1%	0.01	16%	0.157	C	C	.	.			trans	-128.4	-170.8	-177.2	0	0	0	0	0	114.2	Y254 R315 F407 T408	Y254-G405 VanDerWaalsContact OH-CA 3.23Å; Y254-G405 WeakPolarHBondContact OH-CA 3.42Å; R315-G405 PolarHBondContact NH2-O 3.36Å; G405-F407 VanDerWaalsContact C-N 3.26Å; G405-F407 PolarHBondContact O-N 2.84Å; G405-T408 PolarHBondContact N-OG1 3.5Å; G405-T408 PolarHBondContact O-N 3.45Å
406	R	98.3	Very high	96.1	Very high	24 Å²	24	31 Å²	31	9%	0.091	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36	-177.5	178.7	173.1	-68.1	170.2	0.2	112.8	D64 Y254 D312 R315	D64-R406 IonicContact OD2-CZ 3.81Å; D64-R406 IonicContact OD2-NH1 2.74Å; D64-R406 PolarHBondContact OD2-NH1 2.66Å; Y254-R406 HydrophobicContact CD1-CB 4.49Å; Y254-R406 HydrophobicContact CD2-CB 4.47Å; Y254-R406 HydrophobicContact CE1-CB 3.79Å; Y254-R406 HydrophobicContact CE2-CB 3.77Å; Y254-R406 VanDerWaalsContact CZ-CB 3.41Å; Y254-R406 PolarHBondContact OH-N 3.39Å; D312-R406 IonicContact OD1-NE 2.84Å; D312-R406 IonicContact OD2-CZ 2.66Å; D312-R406 VanDerWaalsContact OD2-CZ 3.22Å; D312-R406 IonicContact OD2-NE 3.17Å; D312-R406 PolarHBondContact OD2-NE 2.98Å; D312-R406 IonicContact OD2-NH2 3.71Å; D312-R406 PolarHBondContact OD2-NH2 3.21Å; R315-R406 VanDerWaalsContact CZ-O 3.24Å; R315-R406 PolarHBondContact NH2-O 3.05Å
407	F	98.1	Very high	96.6	Very high	97 Å²	97	30.9 Å²	30.9	43%	0.425	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-6.4	-175.6	-55.6	-62.4	0	0	0	113.8	P62 D64 Y254 G405 T409	P62-F407 HydrophobicContact CG-CD2 3.62Å; P62-F407 HydrophobicContact CG-CE2 3.95Å; D64-F407 HydrophobicContact CB-CZ 4.44Å; Y254-F407 HydrophobicContact CD1-CD2 4.19Å; Y254-F407 AromaticContact CD1-CE2 3.73Å; Y254-F407 HydrophobicContact CD1-CE2 3.73Å; Y254-F407 HydrophobicContact CE1-CD2 4.14Å; Y254-F407 HydrophobicContact CE1-CE2 4.12Å; G405-F407 VanDerWaalsContact C-N 3.26Å; G405-F407 PolarHBondContact O-N 2.84Å; F407-T409 PolarHBondContact O-N 3.06Å
408	T	98.6	Very high	97.2	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.031	16%	0.157	C	C	.	.			trans	-65.8	130.8	178.7	-53.1	0	0	0	0	110.5	M55 R315 L319 I404 G405 E412 V413	M55-T408 HydrophobicContact CE-CG2 4.3Å; M55-T408 HydrophobicContact SD-CG2 3.63Å; R315-T408 PolarHBondContact NH1-O 3.35Å; L319-T408 HydrophobicContact CD1-CG2 4.49Å; L319-T408 WeakPolarHBondContact CD1-O 3.43Å; I404-T408 HydrophobicContact CG2-CG2 4.05Å; G405-T408 PolarHBondContact N-OG1 3.5Å; G405-T408 PolarHBondContact O-N 3.45Å; T408-E412 VanDerWaalsContact CA-OE2 3.22Å; T408-E412 WeakPolarHBondContact CA-OE2 3.26Å; T408-V413 HydrophobicContact CG2-CG2 3.96Å
409	T	98.5	Very high	97.7	Very high	55 Å²	55	35.9 Å²	35.9	34%	0.337	17%	0.167	S	C	.	.			trans	-100.8	169.3	-179	85.7	0	0	0	0	113.4	F407 E411 E412 V413	F407-T409 PolarHBondContact O-N 3.06Å; T409-E411 VanDerWaalsContact C-N 3.31Å; T409-E411 WeakPolarHBondContact CB-OE2 3.37Å; T409-E411 PolarHBondContact OG1-N 3Å; T409-E411 PolarHBondContact OG1-OE2 3.27Å; T409-E412 PolarHBondContact N-OE2 3Å; T409-E412 PolarHBondContact OG1-N 3.16Å; T409-V413 WeakPolarHBondContact O-CG2 3.48Å; T409-V413 PolarHBondContact O-N 3.38Å
410	E	98.4	Very high	97.9	Very high	67 Å²	67	35.9 Å²	35.9	31%	0.313	17%	0.167	S	C	.	.	H	α-helix	trans	-67	-35.8	175.3	-174	165.6	-136.1	0	0	111.4	L319 R322 V413 D414	L319-E410 HydrophobicContact CD2-CB 4.07Å; R322-E410 IonicContact CZ-OE1 3.22Å; R322-E410 IonicContact NE-OE1 3.72Å; R322-E410 PolarHBondContact NE-OE1 3.46Å; R322-E410 IonicContact NH1-OE1 2.76Å; R322-E410 PolarHBondContact NH1-OE1 3.19Å; R322-E410 IonicContact NH2-OE1 2.79Å; E410-V413 PolarHBondContact O-N 3.3Å; E410-D414 PolarHBondContact O-N 3.01Å
411	E	98.3	Very high	98.1	Very high	133 Å²	133	37 Å²	37	62%	0.621	17%	0.173	S	C	*	.	H	α-helix	trans	-65.1	-41.8	176.8	-57.9	76.1	-167.6	0	0	111.6	T409 V413 D414 Y415	T409-E411 VanDerWaalsContact C-N 3.31Å; T409-E411 WeakPolarHBondContact CB-OE2 3.37Å; T409-E411 PolarHBondContact OG1-N 3Å; T409-E411 PolarHBondContact OG1-OE2 3.27Å; E411-V413 VanDerWaalsContact C-N 3.34Å; E411-D414 PolarHBondContact O-N 3.47Å; E411-Y415 WeakPolarHBondContact O-CB 3.18Å; E411-Y415 PolarHBondContact O-N 3.39Å
412	E	98.3	Very high	98.2	Very high	47 Å²	47	41.8 Å²	41.8	22%	0.22	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-40.6	176.2	-68.4	-178.7	135.1	0	0	111.7	L53 T408 T409 T416	L53-E412 HydrophobicContact CD1-CB 4.01Å; L53-E412 HydrophobicContact CD1-CG 4.13Å; L53-E412 HydrophobicContact CD2-CG 4Å; T408-E412 VanDerWaalsContact CA-OE2 3.22Å; T408-E412 WeakPolarHBondContact CA-OE2 3.26Å; T409-E412 PolarHBondContact N-OE2 3Å; T409-E412 PolarHBondContact OG1-N 3.16Å; E412-T416 WeakPolarHBondContact O-CB 3.44Å; E412-T416 PolarHBondContact O-N 2.93Å; E412-T416 PolarHBondContact O-OG1 3.41Å
413	V	98.6	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-47	174.5	169.4	0	0	0	0	110.6	M55 L319 R322 L323 I404 T408 T409 E410 E411 Y415 T416 V417	M55-V413 HydrophobicContact CE-CG2 4.41Å; L319-V413 HydrophobicContact CB-CG2 4.2Å; L319-V413 HydrophobicContact CD2-CG2 4.14Å; R322-V413 HydrophobicContact CB-CG1 4.48Å; R322-V413 HydrophobicContact CG-CG1 4.3Å; L323-V413 HydrophobicContact CB-CG1 3.92Å; I404-V413 HydrophobicContact CD1-CG2 4.47Å; T408-V413 HydrophobicContact CG2-CG2 3.96Å; T409-V413 WeakPolarHBondContact O-CG2 3.48Å; T409-V413 PolarHBondContact O-N 3.38Å; E410-V413 PolarHBondContact O-N 3.3Å; E411-V413 VanDerWaalsContact C-N 3.34Å; V413-Y415 PolarHBondContact O-N 2.95Å; V413-T416 PolarHBondContact O-N 3.25Å; V413-V417 HydrophobicContact CG1-CG2 4.3Å; V413-V417 WeakPolarHBondContact O-CB 3.35Å; V413-V417 WeakPolarHBondContact O-CG2 3.43Å; V413-V417 PolarHBondContact O-N 3.5Å
414	D	98.4	Very high	98.1	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.193	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-43.3	179	-80.4	-19.7	0	0	0	113.1	R322 K326 E410 E411 V417 Q418	R322-D414 IonicContact CZ-OD1 3.75Å; R322-D414 IonicContact CZ-OD2 2.71Å; R322-D414 IonicContact NE-OD1 3.87Å; R322-D414 PolarHBondContact NE-OD1 3.46Å; R322-D414 IonicContact NE-OD2 3.74Å; R322-D414 PolarHBondContact NE-OD2 3.14Å; R322-D414 IonicContact NH2-OD1 2.61Å; R322-D414 PolarHBondContact NH2-OD1 2.95Å; R322-D414 IonicContact NH2-OD2 3.28Å; R322-D414 PolarHBondContact NH2-OD2 3.46Å; K326-D414 IonicContact NZ-OD1 2.97Å; K326-D414 PolarHBondContact NZ-OD1 2.9Å; K326-D414 IonicContact NZ-OD2 3.28Å; E410-D414 PolarHBondContact O-N 3.01Å; E411-D414 PolarHBondContact O-N 3.47Å; D414-V417 PolarHBondContact O-N 2.76Å; D414-Q418 WeakPolarHBondContact O-CB 3.41Å; D414-Q418 VanDerWaalsContact O-CG 3.32Å; D414-Q418 WeakPolarHBondContact O-CG 3.25Å; D414-Q418 PolarHBondContact O-N 3.2Å
415	Y	98.1	Very high	98.1	Very high	89 Å²	89	47.5 Å²	47.5	35%	0.349	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-46.3	175.8	-174	-89.7	0	0	0	111.2	L53 D366 V367 E411 V413 V417 Q418 K419	L53-Y415 HydrophobicContact CD1-CD1 3.57Å; L53-Y415 HydrophobicContact CD1-CE1 4.34Å; L53-Y415 HydrophobicContact CD1-CG 4.11Å; L53-Y415 HydrophobicContact CG-CD1 4.48Å; D366-Y415 HydrophobicContact CB-CE1 4.13Å; V367-Y415 HydrophobicContact CG2-CD1 4.43Å; V367-Y415 HydrophobicContact CG2-CE1 4.49Å; E411-Y415 WeakPolarHBondContact O-CB 3.18Å; E411-Y415 PolarHBondContact O-N 3.39Å; V413-Y415 PolarHBondContact O-N 2.95Å; Y415-V417 VanDerWaalsContact C-N 3.35Å; Y415-V417 PolarHBondContact O-N 2.9Å; Y415-Q418 PolarHBondContact O-N 2.95Å; Y415-K419 HydrophobicContact CD1-CG 4.03Å; Y415-K419 HydrophobicContact CE1-CD 4.41Å; Y415-K419 HydrophobicContact CE1-CG 3.7Å; Y415-K419 WeakPolarHBondContact O-CB 3.3Å; Y415-K419 WeakPolarHBondContact O-CG 3.4Å; Y415-K419 PolarHBondContact O-N 3.43Å; Y415-K419 WeakPolarHBondContact OH-CE 3.27Å; Y415-K419 PolarHBondContact OH-NZ 3.02Å
416	T	98.2	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-45.4	177.5	-59.5	0	0	0	0	111.3	V367 F402 E412 V413 K419 C420	V367-T416 HydrophobicContact CG1-CG2 4.09Å; F402-T416 HydrophobicContact CD1-CG2 4Å; F402-T416 HydrophobicContact CE1-CG2 3.91Å; E412-T416 WeakPolarHBondContact O-CB 3.44Å; E412-T416 PolarHBondContact O-N 2.93Å; E412-T416 PolarHBondContact O-OG1 3.41Å; V413-T416 PolarHBondContact O-N 3.25Å; T416-K419 PolarHBondContact O-N 2.7Å; T416-C420 WeakPolarHBondContact O-CB 3.43Å; T416-C420 PolarHBondContact O-N 2.98Å
417	V	98.4	Very high	97.9	Very high	5 Å²	5	54 Å²	54	3%	0.03	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-49	176.8	166	0	0	0	0	111.1	L323 K326 I327 V413 D414 Y415 K419 C420 I421	L323-V417 HydrophobicContact CB-CG2 4.44Å; L323-V417 HydrophobicContact CG-CG2 4.18Å; K326-V417 HydrophobicContact CB-CG1 3.5Å; K326-V417 HydrophobicContact CB-CG2 4.36Å; K326-V417 HydrophobicContact CD-CG1 4.06Å; K326-V417 HydrophobicContact CG-CG1 4.46Å; I327-V417 HydrophobicContact CD1-CG2 4.44Å; I327-V417 HydrophobicContact CG1-CG1 4.32Å; I327-V417 HydrophobicContact CG1-CG2 4.13Å; V413-V417 HydrophobicContact CG1-CG2 4.3Å; V413-V417 WeakPolarHBondContact O-CB 3.35Å; V413-V417 WeakPolarHBondContact O-CG2 3.43Å; V413-V417 PolarHBondContact O-N 3.5Å; D414-V417 PolarHBondContact O-N 2.76Å; Y415-V417 VanDerWaalsContact C-N 3.35Å; Y415-V417 PolarHBondContact O-N 2.9Å; V417-K419 PolarHBondContact O-N 3.35Å; V417-C420 PolarHBondContact O-N 3Å; V417-I421 HydrophobicContact CG1-CD1 3.66Å; V417-I421 WeakPolarHBondContact O-CD1 3.37Å; V417-I421 VanDerWaalsContact O-CG1 3.28Å; V417-I421 WeakPolarHBondContact O-CG1 3.5Å; V417-I421 PolarHBondContact O-N 3.31Å
418	Q	98.1	Very high	97.8	Very high	132 Å²	132	49.6 Å²	49.6	62%	0.617	23%	0.227	S	C	*	.	H	α-helix	trans	-60.1	-47.4	-179.9	-75.5	177	0.7	0	0	111.7	D414 Y415 I421 H422	D414-Q418 WeakPolarHBondContact O-CB 3.41Å; D414-Q418 VanDerWaalsContact O-CG 3.32Å; D414-Q418 WeakPolarHBondContact O-CG 3.25Å; D414-Q418 PolarHBondContact O-N 3.2Å; Y415-Q418 PolarHBondContact O-N 2.95Å; Q418-I421 PolarHBondContact O-N 3.05Å; Q418-H422 WeakPolarHBondContact O-CB 3.34Å; Q418-H422 PolarHBondContact O-N 2.94Å
419	K	97.5	Very high	97.6	Very high	56 Å²	56	56.7 Å²	56.7	24%	0.243	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-44.4	177.6	-72.7	-71.8	-171.6	148.1	0	111.9	L364 D366 Y415 T416 V417 H422 H423	L364-K419 HydrophobicContact CD2-CB 3.75Å; D366-K419 IonicContact OD2-NZ 3.52Å; D366-K419 PolarHBondContact OD2-NZ 3.05Å; Y415-K419 HydrophobicContact CD1-CG 4.03Å; Y415-K419 HydrophobicContact CE1-CD 4.41Å; Y415-K419 HydrophobicContact CE1-CG 3.7Å; Y415-K419 WeakPolarHBondContact O-CB 3.3Å; Y415-K419 WeakPolarHBondContact O-CG 3.4Å; Y415-K419 PolarHBondContact O-N 3.43Å; Y415-K419 WeakPolarHBondContact OH-CE 3.27Å; Y415-K419 PolarHBondContact OH-NZ 3.02Å; T416-K419 PolarHBondContact O-N 2.7Å; V417-K419 PolarHBondContact O-N 3.35Å; K419-H422 PolarHBondContact O-N 2.72Å; K419-H423 WeakPolarHBondContact O-CB 3.37Å; K419-H423 PolarHBondContact O-CD2 2.92Å; K419-H423 PolarHBondContact O-N 3.01Å
420	C	97.6	Very high	97.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-49.8	177.5	-178.2	0	0	0	0	111.4	I327 F352 T416 V417 H422 H423 V424	I327-C420 HydrophobicContact CD1-CB 4.42Å; F352-C420 VanDerWaalsContact CZ-SG 3.59Å; T416-C420 WeakPolarHBondContact O-CB 3.43Å; T416-C420 PolarHBondContact O-N 2.98Å; V417-C420 PolarHBondContact O-N 3Å; C420-H422 PolarHBondContact O-N 2.94Å; C420-H423 PolarHBondContact O-N 3.11Å; C420-V424 WeakPolarHBondContact O-CB 3.33Å; C420-V424 VanDerWaalsContact O-CG2 3.25Å; C420-V424 WeakPolarHBondContact O-CG2 3.37Å; C420-V424 PolarHBondContact O-N 3.03Å
421	I	98	Very high	97.1	Very high	24 Å²	24	57.6 Å²	57.6	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-46.9	177.7	-65.9	162.6	0	0	0	111.2	N330 L331 V417 Q418 K425	N330-I421 HydrophobicContact CB-CD1 3.62Å; N330-I421 HydrophobicContact CB-CG1 4.04Å; N330-I421 HydrophobicContact CB-CG2 4.16Å; L331-I421 HydrophobicContact CD1-CG1 4.24Å; L331-I421 HydrophobicContact CD2-CG2 4.29Å; L331-I421 HydrophobicContact CG-CG1 4.25Å; L331-I421 HydrophobicContact CG-CG2 4.47Å; V417-I421 HydrophobicContact CG1-CD1 3.66Å; V417-I421 WeakPolarHBondContact O-CD1 3.37Å; V417-I421 VanDerWaalsContact O-CG1 3.28Å; V417-I421 WeakPolarHBondContact O-CG1 3.5Å; V417-I421 PolarHBondContact O-N 3.31Å; Q418-I421 PolarHBondContact O-N 3.05Å; I421-K425 HydrophobicContact CG2-CD 4.26Å; I421-K425 WeakPolarHBondContact O-CG 3.4Å; I421-K425 PolarHBondContact O-N 3.06Å
422	H	97.8	Very high	96.8	Very high	107 Å²	107	55.4 Å²	55.4	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-49.7	179.8	174.4	72.9	0	0	0	112	Q418 K419 C420 K425 R426	Q418-H422 WeakPolarHBondContact O-CB 3.34Å; Q418-H422 PolarHBondContact O-N 2.94Å; K419-H422 PolarHBondContact O-N 2.72Å; C420-H422 PolarHBondContact O-N 2.94Å; H422-K425 PolarHBondContact O-N 3.22Å; H422-R426 PolarHBondContact O-N 3.22Å; H422-R426 VanDerWaalsContact O-N 3.09Å
423	H	97.4	Very high	96.4	Very high	21 Å²	21	55.5 Å²	55.5	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-73.1	-35.7	-175.5	-71.4	-59.1	0	0	0	113.2	L360 A363 K419 C420 R426 L427	L360-H423 HydrophobicContact CD1-CB 4.16Å; A363-H423 HydrophobicContact CB-CB 3.83Å; A363-H423 PolarHBondContact O-NE2 3.13Å; K419-H423 WeakPolarHBondContact O-CB 3.37Å; K419-H423 PolarHBondContact O-CD2 2.92Å; K419-H423 PolarHBondContact O-N 3.01Å; C420-H423 PolarHBondContact O-N 3.11Å; H423-R426 PolarHBondContact O-N 3.49Å; H423-L427 WeakPolarHBondContact O-CB 3.32Å; H423-L427 VanDerWaalsContact O-CG 3.26Å; H423-L427 WeakPolarHBondContact O-CG 3.49Å; H423-L427 PolarHBondContact O-N 3.38Å
424	V	97.4	Very high	96.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-44.5	173.8	170	0	0	0	0	110.8	L331 F352 V355 L360 C420 L427 R428	L331-V424 HydrophobicContact CD1-CB 3.82Å; L331-V424 HydrophobicContact CD1-CG1 3.81Å; L331-V424 HydrophobicContact CD1-CG2 4.05Å; L331-V424 HydrophobicContact CD2-CB 4.05Å; L331-V424 HydrophobicContact CD2-CG1 3.76Å; L331-V424 HydrophobicContact CG-CG1 4.36Å; F352-V424 HydrophobicContact CD1-CG1 4.34Å; F352-V424 HydrophobicContact CD1-CG2 3.72Å; F352-V424 HydrophobicContact CE1-CG2 4.13Å; F352-V424 HydrophobicContact CG-CG2 4.15Å; V355-V424 HydrophobicContact CG2-CG1 4.11Å; L360-V424 HydrophobicContact CD1-CG2 3.77Å; L360-V424 HydrophobicContact CD2-CG2 3.96Å; C420-V424 WeakPolarHBondContact O-CB 3.33Å; C420-V424 VanDerWaalsContact O-CG2 3.25Å; C420-V424 WeakPolarHBondContact O-CG2 3.37Å; C420-V424 PolarHBondContact O-N 3.03Å; V424-L427 PolarHBondContact O-N 3.45Å; V424-R428 HydrophobicContact CG1-CG 4.48Å; V424-R428 WeakPolarHBondContact O-CB 3.17Å; V424-R428 WeakPolarHBondContact O-CG 3.33Å; V424-R428 PolarHBondContact O-N 3.02Å
425	K	97.1	Very high	95.9	Very high	98 Å²	98	62 Å²	62	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-49.1	176.4	-73.3	179.8	178.2	-174.5	0	111.6	L331 I421 H422 L427 R428 E429	L331-K425 HydrophobicContact CD2-CG 3.84Å; I421-K425 HydrophobicContact CG2-CD 4.26Å; I421-K425 WeakPolarHBondContact O-CG 3.4Å; I421-K425 PolarHBondContact O-N 3.06Å; H422-K425 PolarHBondContact O-N 3.22Å; K425-L427 VanDerWaalsContact C-N 3.34Å; K425-L427 PolarHBondContact O-N 3.28Å; K425-R428 PolarHBondContact O-N 3.49Å; K425-E429 WeakPolarHBondContact O-CG 3.41Å; K425-E429 PolarHBondContact O-N 3.21Å
426	R	96.5	Very high	95.6	Very high	133 Å²	133	60.2 Å²	60.2	50%	0.502	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-41	177.6	-177.9	-178	163.9	-175.5	-4.5	112.8	H422 H423 E429 M430	H422-R426 PolarHBondContact O-N 3.22Å; H422-R426 VanDerWaalsContact O-N 3.09Å; H423-R426 PolarHBondContact O-N 3.49Å; R426-E429 PolarHBondContact O-N 3.05Å; R426-M430 HydrophobicContact CG-CE 4.46Å
427	L	96.2	Very high	95.2	Very high	28 Å²	28	62.1 Å²	62.1	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-36.8	178.4	-73.7	166.3	0	0	0	111.6	V355 L360 A363 H423 V424 K425 M430 S431	V355-L427 HydrophobicContact CG1-CB 3.9Å; V355-L427 HydrophobicContact CG1-CD1 3.63Å; V355-L427 HydrophobicContact CG1-CG 4.36Å; V355-L427 HydrophobicContact CG2-CB 4.12Å; L360-L427 HydrophobicContact CB-CD1 3.97Å; L360-L427 HydrophobicContact CD1-CD1 4Å; A363-L427 HydrophobicContact CB-CD1 4.32Å; H423-L427 WeakPolarHBondContact O-CB 3.32Å; H423-L427 VanDerWaalsContact O-CG 3.26Å; H423-L427 WeakPolarHBondContact O-CG 3.49Å; H423-L427 PolarHBondContact O-N 3.38Å; V424-L427 PolarHBondContact O-N 3.45Å; K425-L427 VanDerWaalsContact C-N 3.34Å; K425-L427 PolarHBondContact O-N 3.28Å; L427-M430 HydrophobicContact CD2-CE 3.8Å; L427-M430 PolarHBondContact O-N 3.43Å; L427-S431 WeakPolarHBondContact O-CB 3.15Å; L427-S431 PolarHBondContact O-N 3.08Å
428	R	96.3	Very high	94.9	Very high	6 Å²	6	67.7 Å²	67.7	2%	0.023	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-37.7	173	-77.3	-179.6	177.1	169.7	-2	112.6	P332 D333 A353 V355 V424 K425 M430 S431 W434	P332-R428 VanDerWaalsContact O-CZ 3.27Å; P332-R428 PolarHBondContact O-NH1 3.33Å; P332-R428 PolarHBondContact O-NH2 2.96Å; D333-R428 PolarHBondContact O-NH2 3.43Å; A353-R428 PolarHBondContact O-NE 3.14Å; A353-R428 PolarHBondContact O-NH2 2.88Å; V355-R428 HydrophobicContact CG2-CG 3.61Å; V424-R428 HydrophobicContact CG1-CG 4.48Å; V424-R428 WeakPolarHBondContact O-CB 3.17Å; V424-R428 WeakPolarHBondContact O-CG 3.33Å; V424-R428 PolarHBondContact O-N 3.02Å; K425-R428 PolarHBondContact O-N 3.49Å; R428-M430 PolarHBondContact O-N 2.9Å; R428-S431 WeakPolarHBondContact O-CB 3.37Å; R428-S431 PolarHBondContact O-N 3.34Å; R428-W434 HydrophobicContact CB-CB 4.2Å; R428-W434 HydrophobicContact CB-CD2 4.08Å; R428-W434 HydrophobicContact CB-CG 3.72Å; R428-W434 HydrophobicContact CG-CB 4.46Å; R428-W434 HydrophobicContact CG-CD2 4.15Å; R428-W434 HydrophobicContact CG-CG 4.13Å; R428-W434 WeakPolarHBondContact O-CB 3.47Å; R428-W434 VanDerWaalsContact O-CD1 3.24Å
429	E	94.7	Very high	94.6	Very high	153 Å²	153	67.1 Å²	67.1	72%	0.715	32%	0.324	S	S	*	.	H	α-helix	trans	-60.2	-23.8	173.9	-72	163	-167.2	0	0	113.3	K425 R426	K425-E429 WeakPolarHBondContact O-CG 3.41Å; K425-E429 PolarHBondContact O-N 3.21Å; R426-E429 PolarHBondContact O-N 3.05Å
430	M	93	Very high	94.3	Very high	122 Å²	122	67.7 Å²	67.7	60%	0.601	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	0.1	177.5	-58.9	-178	-59.4	0	0	112.9	R426 L427 R428	R426-M430 HydrophobicContact CG-CE 4.46Å; L427-M430 HydrophobicContact CD2-CE 3.8Å; L427-M430 PolarHBondContact O-N 3.43Å; R428-M430 PolarHBondContact O-N 2.9Å
431	S	93	Very high	93.9	Very high	20 Å²	20	70.9 Å²	70.9	14%	0.14	36%	0.362	C	S	.	.			trans	-95	118.2	-171.9	179.6	0	0	0	0	110.9	Y354 L427 R428 L433 W434 E435	Y354-S431 VanDerWaalsContact O-CB 3.24Å; Y354-S431 WeakPolarHBondContact O-CB 3.37Å; Y354-S431 PolarHBondContact O-OG 3.35Å; L427-S431 WeakPolarHBondContact O-CB 3.15Å; L427-S431 PolarHBondContact O-N 3.08Å; R428-S431 WeakPolarHBondContact O-CB 3.37Å; R428-S431 PolarHBondContact O-N 3.34Å; S431-L433 PolarHBondContact O-N 2.83Å; S431-W434 WeakPolarHBondContact O-CB 3.27Å; S431-W434 PolarHBondContact O-N 2.66Å; S431-W434 VanDerWaalsContact O-N 3.09Å; S431-E435 PolarHBondContact O-N 3.37Å; S431-E435 VanDerWaalsContact O-N 3.16Å
432	P	91.3	Very high	93.3	Very high	86 Å²	86	74.4 Å²	74.4	56%	0.558	38%	0.381	S	S	*	.	H	α-helix	trans	-63.5	-30.1	176.3	25.5	-33.5	0	0	0	112	W434 E435 M436	P432-W434 VanDerWaalsContact C-N 3.3Å; P432-W434 PolarHBondContact O-N 3.29Å; P432-E435 PolarHBondContact O-N 3.11Å; P432-M436 VanDerWaalsContact O-CG 3.25Å; P432-M436 WeakPolarHBondContact O-CG 3.42Å; P432-M436 PolarHBondContact O-N 2.98Å
433	L	91.2	Very high	92.7	Very high	49 Å²	49	71 Å²	71	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-36.3	175.3	-61.9	177.6	0	0	0	111.8	Y354 S431 V437 L443 W448	Y354-L433 HydrophobicContact CD1-CB 4.1Å; S431-L433 PolarHBondContact O-N 2.83Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 3.44Å; L433-L443 HydrophobicContact CB-CD1 4.35Å; L433-L443 HydrophobicContact CD2-CD1 4.28Å; L433-L443 HydrophobicContact CD2-CD2 4.08Å; L433-W448 HydrophobicContact CD2-CH2 3.48Å; L433-W448 VanDerWaalsContact CD2-CH2 3.48Å; L433-W448 HydrophobicContact CD2-CZ2 3.73Å
434	W	93.1	Very high	92.1	Very high	46 Å²	46	78.4 Å²	78.4	17%	0.174	40%	0.398	C	S	.	.	H	α-helix	trans	-71.2	-43.2	177.1	-177.9	-113.1	0	0	0	111.5	P332 Y354 R428 S431 P432 M436 V437 Q438	P332-W434 HydrophobicContact CG-CH2 3.82Å; Y354-W434 HydrophobicContact CD2-CD2 4.35Å; Y354-W434 AromaticContact CD2-CE3 3.16Å; Y354-W434 HydrophobicContact CD2-CE3 3.16Å; Y354-W434 AromaticContact CD2-CZ3 3.47Å; Y354-W434 HydrophobicContact CD2-CZ3 3.47Å; Y354-W434 VanDerWaalsContact CD2-CZ3 3.47Å; Y354-W434 AromaticContact CE2-CE3 3.65Å; Y354-W434 HydrophobicContact CE2-CE3 3.65Å; Y354-W434 AromaticContact CE2-CZ3 3.55Å; Y354-W434 HydrophobicContact CE2-CZ3 3.55Å; Y354-W434 AromaticContact CG-CE3 3.8Å; Y354-W434 HydrophobicContact CG-CE3 3.8Å; Y354-W434 HydrophobicContact CG-CZ3 4.5Å; R428-W434 HydrophobicContact CB-CB 4.2Å; R428-W434 HydrophobicContact CB-CD2 4.08Å; R428-W434 HydrophobicContact CB-CG 3.72Å; R428-W434 HydrophobicContact CG-CB 4.46Å; R428-W434 HydrophobicContact CG-CD2 4.15Å; R428-W434 HydrophobicContact CG-CG 4.13Å; R428-W434 WeakPolarHBondContact O-CB 3.47Å; R428-W434 VanDerWaalsContact O-CD1 3.24Å; S431-W434 WeakPolarHBondContact O-CB 3.27Å; S431-W434 PolarHBondContact O-N 2.66Å; S431-W434 VanDerWaalsContact O-N 3.09Å; P432-W434 VanDerWaalsContact C-N 3.3Å; P432-W434 PolarHBondContact O-N 3.29Å; W434-M436 PolarHBondContact O-N 3.13Å; W434-V437 PolarHBondContact O-N 2.95Å; W434-Q438 HydrophobicContact CD2-CG 4.3Å; W434-Q438 VanDerWaalsContact CH2-NE2 3.29Å; W434-Q438 HydrophobicContact CZ2-CG 4.35Å; W434-Q438 WeakPolarHBondContact O-CG 3.32Å; W434-Q438 PolarHBondContact O-N 3.35Å
435	E	92.1	Very high	91.4	Very high	126 Å²	126	82.3 Å²	82.3	59%	0.589	43%	0.425	S	S	*	.	H	α-helix	trans	-56.3	-49.5	174.9	-174.8	175.1	-150.1	0	0	111.2	S431 P432 V437 Q438 D439	S431-E435 PolarHBondContact O-N 3.37Å; S431-E435 VanDerWaalsContact O-N 3.16Å; P432-E435 PolarHBondContact O-N 3.11Å; E435-V437 VanDerWaalsContact C-N 3.32Å; E435-V437 PolarHBondContact O-N 3.38Å; E435-Q438 PolarHBondContact O-N 3.45Å; E435-Q438 VanDerWaalsContact O-N 3.13Å; E435-D439 PolarHBondContact O-N 3.24Å
436	M	92	Very high	90.7	Very high	53 Å²	53	79.6 Å²	79.6	26%	0.261	42%	0.415	S	S	.	.	H	α-helix	trans	-56.8	-43	177.1	-72.6	177.9	125.8	0	0	113	P432 W434 D439 G440 I441 L443 I446	P432-M436 VanDerWaalsContact O-CG 3.25Å; P432-M436 WeakPolarHBondContact O-CG 3.42Å; P432-M436 PolarHBondContact O-N 2.98Å; W434-M436 PolarHBondContact O-N 3.13Å; M436-D439 PolarHBondContact O-N 3.42Å; M436-G440 PolarHBondContact O-N 2.97Å; M436-I441 HydrophobicContact CB-CB 4.16Å; M436-I441 HydrophobicContact CB-CD1 4.21Å; M436-I441 HydrophobicContact CE-CD1 4.5Å; M436-I441 HydrophobicContact CG-CD1 4.14Å; M436-I441 VanDerWaalsContact O-CB 3.25Å; M436-I441 WeakPolarHBondContact O-CB 3.34Å; M436-I441 PolarHBondContact O-N 2.93Å; M436-L443 HydrophobicContact CB-CD2 3.83Å; M436-L443 HydrophobicContact SD-CD2 4.05Å; M436-I446 HydrophobicContact CE-CD1 3.31Å; M436-I446 HydrophobicContact CE-CG1 4.26Å; M436-I446 HydrophobicContact SD-CD1 3.48Å; M436-I446 WeakPolarHBondContact SD-CD1 3.45Å
437	V	91.4	Very high	89.9	Confident	40 Å²	40	83.1 Å²	83.1	24%	0.242	43%	0.434	C	S	.	.	H	α-helix	trans	-70	-36.6	178.5	170.7	0	0	0	0	111.9	Y354 L433 W434 E435 D439 G440 L443	Y354-V437 HydrophobicContact CD1-CG2 4.3Å; Y354-V437 HydrophobicContact CE1-CB 4.44Å; Y354-V437 HydrophobicContact CE1-CG2 3.62Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 3.44Å; W434-V437 PolarHBondContact O-N 2.95Å; E435-V437 VanDerWaalsContact C-N 3.32Å; E435-V437 PolarHBondContact O-N 3.38Å; V437-D439 VanDerWaalsContact C-N 3.26Å; V437-D439 PolarHBondContact O-N 3.42Å; V437-G440 PolarHBondContact O-N 3.08Å; V437-L443 HydrophobicContact CG2-CD1 3.74Å; V437-L443 HydrophobicContact CG2-CD2 4.24Å; V437-L443 HydrophobicContact CG2-CG 3.78Å
438	Q	91.4	Very high	89.1	Confident	122 Å²	122	88.9 Å²	88.9	57%	0.57	45%	0.454	S	S	*	.	H	α-helix	trans	-64.3	-33.2	173.6	-69.1	-57.8	-60.7	0	0	112.1	W434 E435 G440	W434-Q438 HydrophobicContact CD2-CG 4.3Å; W434-Q438 VanDerWaalsContact CH2-NE2 3.29Å; W434-Q438 HydrophobicContact CZ2-CG 4.35Å; W434-Q438 WeakPolarHBondContact O-CG 3.32Å; W434-Q438 PolarHBondContact O-N 3.35Å; E435-Q438 PolarHBondContact O-N 3.45Å; E435-Q438 VanDerWaalsContact O-N 3.13Å; Q438-G440 PolarHBondContact O-N 3.23Å
439	D	92.6	Very high	87.9	Confident	119 Å²	119	94.2 Å²	94.2	64%	0.636	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.6	173.7	-71.1	-11.3	0	0	0	113.5	E435 M436 V437 I441	E435-D439 PolarHBondContact O-N 3.24Å; M436-D439 PolarHBondContact O-N 3.42Å; V437-D439 VanDerWaalsContact C-N 3.26Å; V437-D439 PolarHBondContact O-N 3.42Å; D439-I441 HydrophobicContact CB-CD1 4.42Å; D439-I441 HydrophobicContact CB-CG1 4.34Å
440	G	90.6	Very high	85.6	Confident	68 Å²	68	96.1 Å²	96.1	70%	0.701	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	16.8	178.6	0	0	0	0	0	114.7	M436 V437 Q438	M436-G440 PolarHBondContact O-N 2.97Å; V437-G440 PolarHBondContact O-N 3.08Å; Q438-G440 PolarHBondContact O-N 3.23Å
441	I	88	Confident	82.9	Confident	67 Å²	67	102 Å²	102	34%	0.344	52%	0.522	S	S	.	.			trans	-77.6	126.5	177	-57	174.6	0	0	0	109.5	M436 D439 L443 I446	M436-I441 HydrophobicContact CB-CB 4.16Å; M436-I441 HydrophobicContact CB-CD1 4.21Å; M436-I441 HydrophobicContact CE-CD1 4.5Å; M436-I441 HydrophobicContact CG-CD1 4.14Å; M436-I441 VanDerWaalsContact O-CB 3.25Å; M436-I441 WeakPolarHBondContact O-CB 3.34Å; M436-I441 PolarHBondContact O-N 2.93Å; D439-I441 HydrophobicContact CB-CD1 4.42Å; D439-I441 HydrophobicContact CB-CG1 4.34Å; I441-L443 PolarHBondContact O-N 3.38Å; I441-I446 HydrophobicContact CG2-CD1 4.11Å; I441-I446 HydrophobicContact CG2-CG1 4.27Å
442	D	87.1	Confident	82.4	Confident	98 Å²	98	106.1 Å²	106.1	52%	0.524	54%	0.541	S	S	.	.			trans	-74.2	110.7	170.2	-178.8	1.1	0	0	0	109.9	K444 S445	D442-K444 PolarHBondContact O-N 3.33Å; D442-K444 VanDerWaalsContact O-N 3.1Å; D442-K444 WeakPolarHBondContact OD1-CB 3.32Å; D442-K444 PolarHBondContact OD1-N 3.28Å; D442-S445 WeakPolarHBondContact O-CB 3.35Å; D442-S445 PolarHBondContact O-N 2.83Å; D442-S445 PolarHBondContact O-OG 3.12Å
443	L	85	Confident	82	Confident	35 Å²	35	107.2 Å²	107.2	18%	0.183	54%	0.54	C	S	.	.	G	3₁₀ helix	trans	-58.7	-24.2	179.7	-62.5	-179.4	0	0	0	113.3	Y354 L433 M436 V437 I441 S445 I446 W448	Y354-L443 HydrophobicContact CD1-CD1 4.06Å; Y354-L443 HydrophobicContact CE1-CD1 3.69Å; L433-L443 HydrophobicContact CB-CD1 4.35Å; L433-L443 HydrophobicContact CD2-CD1 4.28Å; L433-L443 HydrophobicContact CD2-CD2 4.08Å; M436-L443 HydrophobicContact CB-CD2 3.83Å; M436-L443 HydrophobicContact SD-CD2 4.05Å; V437-L443 HydrophobicContact CG2-CD1 3.74Å; V437-L443 HydrophobicContact CG2-CD2 4.24Å; V437-L443 HydrophobicContact CG2-CG 3.78Å; I441-L443 PolarHBondContact O-N 3.38Å; L443-S445 PolarHBondContact O-N 3.32Å; L443-I446 HydrophobicContact CD2-CD1 3.83Å; L443-I446 PolarHBondContact O-N 2.89Å; L443-W448 PolarHBondContact O-NE1 3.2Å
444	K	83.2	Confident	81.5	Confident	178 Å²	178	110.4 Å²	110.4	77%	0.774	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-75.1	-15	176.1	-62.9	-175.1	177.5	-176.3	0	113	D442	D442-K444 PolarHBondContact O-N 3.33Å; D442-K444 VanDerWaalsContact O-N 3.1Å; D442-K444 WeakPolarHBondContact OD1-CB 3.32Å; D442-K444 PolarHBondContact OD1-N 3.28Å
445	S	82.7	Confident	80.8	Confident	81 Å²	81	114.2 Å²	114.2	57%	0.566	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-84.7	-14.9	176.3	75.4	0	0	0	0	113.3	D442 L443	D442-S445 WeakPolarHBondContact O-CB 3.35Å; D442-S445 PolarHBondContact O-N 2.83Å; D442-S445 PolarHBondContact O-OG 3.12Å; L443-S445 PolarHBondContact O-N 3.32Å
446	I	83.6	Confident	80.1	Confident	41 Å²	41	113.4 Å²	113.4	21%	0.21	58%	0.578	C	S	.	*	S	Bend	trans	-78.8	129.3	-178.8	-59.1	168.2	0	0	0	109.6	M436 I441 L443 W448	M436-I446 HydrophobicContact CE-CD1 3.31Å; M436-I446 HydrophobicContact CE-CG1 4.26Å; M436-I446 HydrophobicContact SD-CD1 3.48Å; M436-I446 WeakPolarHBondContact SD-CD1 3.45Å; I441-I446 HydrophobicContact CG2-CD1 4.11Å; I441-I446 HydrophobicContact CG2-CG1 4.27Å; L443-I446 HydrophobicContact CD2-CD1 3.83Å; L443-I446 PolarHBondContact O-N 2.89Å; I446-W448 HydrophobicContact CB-CZ2 4.1Å; I446-W448 HydrophobicContact CD1-CH2 4.31Å; I446-W448 HydrophobicContact CD1-CZ2 3.76Å; I446-W448 HydrophobicContact CG2-CD2 3.99Å; I446-W448 HydrophobicContact CG2-CE3 4.42Å; I446-W448 HydrophobicContact CG2-CG 4.43Å; I446-W448 HydrophobicContact CG2-CH2 4.34Å; I446-W448 HydrophobicContact CG2-CZ2 3.92Å; I446-W448 VanDerWaalsContact O-CD1 3.28Å; I446-W448 PolarHBondContact O-N 3.48Å; I446-W448 VanDerWaalsContact O-N 3.17Å
447	K	80.5	Confident	79.3	Confident	207 Å²	207	117.5 Å²	117.5	90%	0.9	60%	0.599	S	S	*	*			trans	-80.4	93.2	170.5	-70.3	-175.1	179.9	-179.9	0	109.7
448	W	79.1	Confident	78.4	Confident	150 Å²	150	123 Å²	123	57%	0.568	62%	0.624	S	S	*	*			trans	-70.5	138.4	172.5	-58.3	99.7	0	0	0	110.8	L433 L443 I446 Q450	L433-W448 HydrophobicContact CD2-CH2 3.48Å; L433-W448 VanDerWaalsContact CD2-CH2 3.48Å; L433-W448 HydrophobicContact CD2-CZ2 3.73Å; L443-W448 PolarHBondContact O-NE1 3.2Å; I446-W448 HydrophobicContact CB-CZ2 4.1Å; I446-W448 HydrophobicContact CD1-CH2 4.31Å; I446-W448 HydrophobicContact CD1-CZ2 3.76Å; I446-W448 HydrophobicContact CG2-CD2 3.99Å; I446-W448 HydrophobicContact CG2-CE3 4.42Å; I446-W448 HydrophobicContact CG2-CG 4.43Å; I446-W448 HydrophobicContact CG2-CH2 4.34Å; I446-W448 HydrophobicContact CG2-CZ2 3.92Å; I446-W448 VanDerWaalsContact O-CD1 3.28Å; I446-W448 PolarHBondContact O-N 3.48Å; I446-W448 VanDerWaalsContact O-N 3.17Å; W448-Q450 PolarHBondContact O-N 3.43Å
449	T	69.5	Low	77.4	Confident	118 Å²	118	123.1 Å²	123.1	72%	0.724	63%	0.628	S	S	*	*			trans	-70.2	119.5	174	-29.1	0	0	0	0	108.5	H451	T449-H451 PolarHBondContact O-N 3.35Å
450	Q	47.1	Very low	76.2	Confident	193 Å²	193	123.4 Å²	123.4	90%	0.902	63%	0.628	S	S	*	*			trans	-68.9	115.4	167.6	-71.9	-179.8	-13.4	0	0	107.8	W448	W448-Q450 PolarHBondContact O-N 3.43Å
451	H	37.6	Very low	74.8	Confident	245 Å²	245	128.5 Å²	128.5	100%	1.134	62%	0.621	S	S	*	*			trans	-86.7	0	169.2	-78.6	-55.3	0	0	0	111.3	T449	T449-H451 PolarHBondContact O-N 3.35Å

Retrieved 451 of 451 residues in 1009.8 ms (Link to these results)

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