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Gamma-aminobutyric acid receptor subunit alpha-4

Alpha subunit of the heteropentameric ligand-gated chloride channel gated by gamma-aminobutyric acid (GABA), a major inhibitory neurotransmitter in the brain¹. GABA-gated chloride channels, also named GABA(A) receptors (GABAAR), consist of five subunits arranged around a central pore and contain GABA active binding site(s) located at the alpha and beta subunit interface(s)². When activated by GABA, GABAARs selectively allow the flow of chloride anions across the cell membrane down their electrochemical gradient³. GABAARs containing alpha-4 are predominantly extrasynaptic, contributing to tonic inhibition in dentate granule cells and thalamic relay neurons (By similarity). Extrasynaptic alpha-4-containing GABAARs control levels of excitability and network activity (By similarity). GABAAR containing alpha-4-beta-3-delta subunits can simultaneously bind GABA and histamine where histamine binds at the interface of two neighboring beta subunits, which may be involved in the regulation of sleep and wakefulness⁴.

AlphaFold DB , UniProt , Accession P48169, Species HUMAN (Homo sapiens, Human), Gene GABRA4, Length 554 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	39.9	Very low	237 Å²	237	146.3 Å²	146.3	100%	1.167	86%	0.857	S	S	*	*				0	104.3	0	-68.5	146.3	159.2	0	0	106.3
2	V	36.6	Very low	40	Very low	147 Å²	147	146.5 Å²	146.5	89%	0.891	85%	0.851	S	S	*	*				71.7	98.8	51.4	-175.1	0	0	0	0	112.2
3	S	43.2	Very low	40.3	Very low	114 Å²	114	144.5 Å²	144.5	80%	0.797	85%	0.85	S	S	*	*			trans	-159.8	102.1	140.8	-169.1	0	0	0	0	109.5
4	A	39	Very low	40.7	Very low	99 Å²	99	138 Å²	138	82%	0.818	82%	0.821	S	S	*	*			trans	-132.3	106.8	169.3	0	0	0	0	0	107.3
5	K	44.8	Very low	41.3	Very low	200 Å²	200	133 Å²	133	87%	0.87	81%	0.81	S	S	*	*			trans	-80.5	120.1	-177.8	-91	-176.7	170.7	-179.9	0	110.6
6	K	34.8	Very low	42	Very low	205 Å²	205	132.2 Å²	132.2	89%	0.891	81%	0.805	S	S	*	*			trans	-82.3	146.2	159.4	-73.8	-177.9	174.1	-179.4	0	109.9
7	V	45.9	Very low	42.9	Very low	132 Å²	132	128.9 Å²	128.9	80%	0.8	79%	0.789	S	S	*	*			trans	-132.8	140.9	163.8	176.6	0	0	0	0	105.7
8	P	40.2	Very low	43.6	Very low	121 Å²	121	128.2 Å²	128.2	79%	0.786	77%	0.773	S	S	*	*			trans	-88	164.8	-152.3	34	-37.1	0	0	0	115.1
9	A	34.4	Very low	44.7	Very low	98 Å²	98	124.4 Å²	124.4	81%	0.81	76%	0.757	S	S	*	*			trans	-82.3	145.4	173.1	0	0	0	0	0	112
10	I	41.7	Very low	45.9	Very low	164 Å²	164	123.7 Å²	123.7	84%	0.841	75%	0.748	S	S	*	*			trans	-104.3	126.4	161.8	-66.2	171.2	0	0	0	106.8
11	A	39.7	Very low	46.9	Very low	92 Å²	92	122.1 Å²	122.1	76%	0.76	74%	0.735	S	S	*	*			trans	-108.7	112.4	-174.1	0	0	0	0	0	111.5
12	L	41.6	Very low	48.3	Very low	149 Å²	149	119.4 Å²	119.4	78%	0.78	71%	0.712	S	S	*	*			trans	-138.7	144.2	167.9	-80	170	0	0	0	109.7	A14	L12-A14 PolarHBondContact O-N 2.93Å
13	S	43.7	Very low	49.8	Very low	120 Å²	120	119.9 Å²	119.9	84%	0.839	70%	0.702	S	S	*	*	S	Bend	trans	48.3	49.8	172.1	55.3	0	0	0	0	117.2
14	A	46	Very low	51.2	Low	54 Å²	54	119.5 Å²	119.5	45%	0.446	69%	0.69	S	S	.	*			trans	-89	3.3	-175.8	0	0	0	0	0	116.4	L12 F18	L12-A14 PolarHBondContact O-N 2.93Å; A14-F18 HydrophobicContact CB-CD2 3.87Å; A14-F18 HydrophobicContact CB-CE2 3.79Å; A14-F18 WeakPolarHBondContact O-CB 3.42Å; A14-F18 WeakPolarHBondContact O-CD2 3.42Å
15	G	49.3	Very low	52.4	Low	63 Å²	63	118.1 Å²	118.1	65%	0.649	67%	0.674	S	S	*	*	H	α-helix	trans	-68.9	-67.6	-170.3	0	0	0	0	0	115.2
16	V	52.8	Low	53.4	Low	120 Å²	120	113.3 Å²	113.3	73%	0.727	66%	0.658	S	S	*	*	H	α-helix	trans	-80.1	-37.3	-169.7	-176	0	0	0	0	112.4	F18 A19 L20	V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 2.88Å; V16-A19 PolarHBondContact O-N 3.18Å; V16-A19 VanDerWaalsContact O-N 3.17Å; V16-L20 PolarHBondContact O-N 3.19Å
17	S	56.5	Low	55	Low	77 Å²	77	106.2 Å²	106.2	54%	0.538	64%	0.637	S	S	.	*	H	α-helix	trans	-63.4	-34.5	-179.2	-173.5	0	0	0	0	112.5	A19 L20 L21	S17-A19 VanDerWaalsContact C-N 3.34Å; S17-A19 PolarHBondContact O-N 3.44Å; S17-L20 PolarHBondContact O-N 3.23Å; S17-L21 VanDerWaalsContact O-CB 3.23Å; S17-L21 WeakPolarHBondContact O-CB 3.47Å; S17-L21 PolarHBondContact O-N 3.26Å
18	F	56.2	Low	55.9	Low	115 Å²	115	104.5 Å²	104.5	50%	0.504	63%	0.627	S	S	.	*	H	α-helix	trans	-71.4	-24.9	177.2	-85.3	-104.6	0	0	0	113.6	A14 V16 R22	A14-F18 HydrophobicContact CB-CD2 3.87Å; A14-F18 HydrophobicContact CB-CE2 3.79Å; A14-F18 WeakPolarHBondContact O-CB 3.42Å; A14-F18 WeakPolarHBondContact O-CD2 3.42Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 PolarHBondContact O-N 2.88Å; F18-R22 VanDerWaalsContact O-CB 3.23Å; F18-R22 WeakPolarHBondContact O-CB 3.49Å; F18-R22 VanDerWaalsContact O-CG 3.29Å; F18-R22 WeakPolarHBondContact O-CG 3.5Å; F18-R22 PolarHBondContact O-N 3.47Å
19	A	64.9	Low	56.9	Low	56 Å²	56	102.9 Å²	102.9	46%	0.463	62%	0.617	S	S	.	*	H	α-helix	trans	-69.6	-49.8	172.5	0	0	0	0	0	110.6	V16 S17 R22 F23	V16-A19 PolarHBondContact O-N 3.18Å; V16-A19 VanDerWaalsContact O-N 3.17Å; S17-A19 VanDerWaalsContact C-N 3.34Å; S17-A19 PolarHBondContact O-N 3.44Å; A19-R22 PolarHBondContact O-N 2.94Å; A19-F23 PolarHBondContact O-N 3.38Å
20	L	67.7	Low	58.1	Low	110 Å²	110	105.1 Å²	105.1	58%	0.576	62%	0.615	S	S	*	*	H	α-helix	trans	-62.3	-42.5	174.9	-91.4	160.4	0	0	0	112.3	V16 S17 F23 L24	V16-L20 PolarHBondContact O-N 3.19Å; S17-L20 PolarHBondContact O-N 3.23Å; L20-F23 PolarHBondContact O-N 3.35Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 3.1Å
21	L	68.3	Low	58.7	Low	92 Å²	92	103.9 Å²	103.9	48%	0.482	61%	0.61	S	S	.	*	H	α-helix	trans	-68	-36.1	177.8	-165.3	70.2	0	0	0	111.9	S17 L24 C25	S17-L21 VanDerWaalsContact O-CB 3.23Å; S17-L21 WeakPolarHBondContact O-CB 3.47Å; S17-L21 PolarHBondContact O-N 3.26Å; L21-L24 PolarHBondContact O-N 3.29Å; L21-C25 WeakPolarHBondContact O-CB 3.43Å; L21-C25 PolarHBondContact O-N 3.27Å; L21-C25 PolarHBondContact O-SG 3.44Å
22	R	66.7	Low	59.1	Low	179 Å²	179	105 Å²	105	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-68.4	-37	171	-79.7	-177.9	-179.7	-99.8	4.3	112.5	F18 A19 L26	F18-R22 VanDerWaalsContact O-CB 3.23Å; F18-R22 WeakPolarHBondContact O-CB 3.49Å; F18-R22 VanDerWaalsContact O-CG 3.29Å; F18-R22 WeakPolarHBondContact O-CG 3.5Å; F18-R22 PolarHBondContact O-N 3.47Å; A19-R22 PolarHBondContact O-N 2.94Å; R22-L26 VanDerWaalsContact O-CB 3.23Å; R22-L26 WeakPolarHBondContact O-CB 3.28Å; R22-L26 VanDerWaalsContact O-CG 3.28Å; R22-L26 WeakPolarHBondContact O-CG 3.43Å; R22-L26 PolarHBondContact O-N 3.45Å
23	F	68.9	Low	59.4	Low	158 Å²	158	100.9 Å²	100.9	69%	0.693	58%	0.583	S	S	*	*	H	α-helix	trans	-67.2	-38.8	173.3	-98.8	-80.4	0	0	0	112.3	A19 L20 A27	A19-F23 PolarHBondContact O-N 3.38Å; L20-F23 PolarHBondContact O-N 3.35Å; F23-A27 VanDerWaalsContact O-CB 3.23Å; F23-A27 WeakPolarHBondContact O-CB 3.45Å; F23-A27 PolarHBondContact O-N 2.96Å
24	L	71.4	Confident	59.6	Low	105 Å²	105	100.4 Å²	100.4	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-67	-45	173	-85.3	157.5	0	0	0	112	L20 L21 A27 V28	L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 3.1Å; L21-L24 PolarHBondContact O-N 3.29Å; L24-A27 PolarHBondContact O-N 3.24Å; L24-V28 WeakPolarHBondContact O-CB 3.2Å; L24-V28 VanDerWaalsContact O-CG2 3.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.12Å
25	C	65.9	Low	59.6	Low	70 Å²	70	99.6 Å²	99.6	47%	0.473	57%	0.573	S	S	.	*	H	α-helix	trans	-64.2	-39.5	174.1	-72.5	0	0	0	0	112.2	L21 V28 C29	L21-C25 WeakPolarHBondContact O-CB 3.43Å; L21-C25 PolarHBondContact O-N 3.27Å; L21-C25 PolarHBondContact O-SG 3.44Å; C25-V28 PolarHBondContact O-N 3.31Å; C25-C29 WeakPolarHBondContact O-CB 3.27Å; C25-C29 PolarHBondContact O-N 3.16Å; C25-C29 PolarHBondContact O-SG 3.3Å
26	L	65.6	Low	59.3	Low	100 Å²	100	102.5 Å²	102.5	52%	0.524	57%	0.57	S	S	.	*	H	α-helix	trans	-66	-41.8	173.5	-79.1	165.3	0	0	0	111.5	R22 V28 C29 L30	R22-L26 VanDerWaalsContact O-CB 3.23Å; R22-L26 WeakPolarHBondContact O-CB 3.28Å; R22-L26 VanDerWaalsContact O-CG 3.28Å; R22-L26 WeakPolarHBondContact O-CG 3.43Å; R22-L26 PolarHBondContact O-N 3.45Å; L26-V28 PolarHBondContact O-N 2.96Å; L26-C29 PolarHBondContact O-N 3.41Å; L26-L30 WeakPolarHBondContact O-CB 3.1Å; L26-L30 WeakPolarHBondContact O-CD1 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 2.98Å
27	A	66.6	Low	58.9	Low	56 Å²	56	101.2 Å²	101.2	46%	0.463	56%	0.559	S	S	.	*	H	α-helix	trans	-62.6	-40.9	175	0	0	0	0	0	111.9	F23 L24 N31	F23-A27 VanDerWaalsContact O-CB 3.23Å; F23-A27 WeakPolarHBondContact O-CB 3.45Å; F23-A27 PolarHBondContact O-N 2.96Å; L24-A27 PolarHBondContact O-N 3.24Å; A27-N31 WeakPolarHBondContact O-CB 3.4Å; A27-N31 PolarHBondContact O-N 3.47Å
28	V	65.2	Low	58.3	Low	96 Å²	96	102.6 Å²	102.6	58%	0.582	56%	0.557	S	S	*	*	H	α-helix	trans	-66.2	-48.2	175.3	170.2	0	0	0	0	111.1	L24 C25 L26 L30 N31 E32	L24-V28 WeakPolarHBondContact O-CB 3.2Å; L24-V28 VanDerWaalsContact O-CG2 3.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.12Å; C25-V28 PolarHBondContact O-N 3.31Å; L26-V28 PolarHBondContact O-N 2.96Å; V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 PolarHBondContact O-N 2.78Å; V28-N31 PolarHBondContact O-N 3.35Å; V28-E32 PolarHBondContact O-N 3.37Å
29	C	61	Low	57.7	Low	86 Å²	86	104.9 Å²	104.9	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-70.7	-21.1	178.7	-66.9	0	0	0	0	114.2	C25 L26	C25-C29 WeakPolarHBondContact O-CB 3.27Å; C25-C29 PolarHBondContact O-N 3.16Å; C25-C29 PolarHBondContact O-SG 3.3Å; L26-C29 PolarHBondContact O-N 3.41Å
30	L	60.3	Low	57	Low	145 Å²	145	108.2 Å²	108.2	76%	0.759	57%	0.573	S	S	*	*	H	α-helix	trans	-86.8	-22.9	172.1	-71.7	168.7	0	0	0	112.6	L26 V28	L26-L30 WeakPolarHBondContact O-CB 3.1Å; L26-L30 WeakPolarHBondContact O-CD1 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 2.98Å; V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 PolarHBondContact O-N 2.78Å
31	N	55.3	Low	56.2	Low	138 Å²	138	109.5 Å²	109.5	74%	0.738	58%	0.576	S	S	*	*	H	α-helix	trans	-89.8	-8.4	173.5	-156.1	42.8	0	0	0	112.6	A27 V28 S33	A27-N31 WeakPolarHBondContact O-CB 3.4Å; A27-N31 PolarHBondContact O-N 3.47Å; V28-N31 PolarHBondContact O-N 3.35Å; N31-S33 PolarHBondContact O-N 3.39Å
32	E	47.4	Very low	55.4	Low	117 Å²	117	111 Å²	111	55%	0.547	58%	0.579	S	S	.	*	S	Bend	trans	-72.5	78	166.8	-162.7	-178	159.8	0	0	109.9	V28 P34	V28-E32 PolarHBondContact O-N 3.37Å; E32-P34 WeakPolarHBondContact O-CD 3.41Å
33	S	48.8	Very low	54.7	Low	61 Å²	61	107.6 Å²	107.6	43%	0.427	57%	0.573	S	S	.	*			trans	-58.6	123.3	-175.9	-175.9	0	0	0	0	111.5	N31 G35 Q36	N31-S33 PolarHBondContact O-N 3.39Å; S33-G35 PolarHBondContact O-N 2.94Å; S33-Q36 PolarHBondContact O-N 3.47Å
34	P	46.3	Very low	54.3	Low	111 Å²	111	102.8 Å²	102.8	72%	0.721	56%	0.558	S	S	*	*	H	α-helix	trans	-58.2	-19	178.7	-27	35.6	0	0	0	114.2	E32	E32-P34 WeakPolarHBondContact O-CD 3.41Å
35	G	46.6	Very low	53.8	Low	36 Å²	36	101.6 Å²	101.6	37%	0.371	56%	0.556	S	S	.	*	H	α-helix	trans	-82.3	-11	175.1	0	0	0	0	0	115.3	S33 K39	S33-G35 PolarHBondContact O-N 2.94Å; G35-K39 WeakPolarHBondContact O-CB 3.33Å; G35-K39 PolarHBondContact O-N 2.67Å
36	Q	43.5	Very low	53.6	Low	124 Å²	124	102.9 Å²	102.9	58%	0.579	56%	0.555	S	S	*	*	H	α-helix	trans	-82.6	-47.6	-175.9	-168.7	158	-17.1	0	0	112.1	S33 Q38 K39 E40	S33-Q36 PolarHBondContact O-N 3.47Å; Q36-Q38 VanDerWaalsContact C-N 3.27Å; Q36-Q38 PolarHBondContact O-N 3.33Å; Q36-K39 WeakPolarHBondContact O-CA 3.23Å; Q36-K39 WeakPolarHBondContact O-CB 3.37Å; Q36-K39 PolarHBondContact O-N 3.28Å; Q36-E40 PolarHBondContact O-N 3.35Å
37	N	43.3	Very low	54.1	Low	93 Å²	93	101.4 Å²	101.4	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-55.6	-43.6	168.4	-76.9	-42.1	0	0	0	111	K39 E40 E41	N37-K39 VanDerWaalsContact C-N 3.27Å; N37-K39 PolarHBondContact O-N 2.74Å; N37-E40 PolarHBondContact O-N 2.9Å; N37-E41 VanDerWaalsContact O-CB 3.29Å; N37-E41 WeakPolarHBondContact O-CB 3.2Å; N37-E41 PolarHBondContact O-N 3.35Å
38	Q	43.6	Very low	54.8	Low	107 Å²	107	101 Å²	101	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-64.1	-26.8	174.3	-70.4	-168.9	10.5	0	0	114.1	Q36 K42	Q36-Q38 VanDerWaalsContact C-N 3.27Å; Q36-Q38 PolarHBondContact O-N 3.33Å; Q38-K42 VanDerWaalsContact O-CB 3.27Å; Q38-K42 WeakPolarHBondContact O-CB 3.46Å; Q38-K42 WeakPolarHBondContact O-CD 3.42Å; Q38-K42 WeakPolarHBondContact O-CG 3.49Å; Q38-K42 PolarHBondContact O-N 2.88Å; Q38-K42 VanDerWaalsContact O-N 3.13Å
39	K	44.7	Very low	55.7	Low	162 Å²	162	100.1 Å²	100.1	70%	0.704	53%	0.53	S	S	*	.	H	α-helix	trans	-75.6	-43.4	175.2	-98.6	-175.4	172.8	-178	0	111.5	G35 Q36 N37 L43	G35-K39 WeakPolarHBondContact O-CB 3.33Å; G35-K39 PolarHBondContact O-N 2.67Å; Q36-K39 WeakPolarHBondContact O-CA 3.23Å; Q36-K39 WeakPolarHBondContact O-CB 3.37Å; Q36-K39 PolarHBondContact O-N 3.28Å; N37-K39 VanDerWaalsContact C-N 3.27Å; N37-K39 PolarHBondContact O-N 2.74Å; K39-L43 VanDerWaalsContact O-CB 3.23Å; K39-L43 WeakPolarHBondContact O-CB 3.17Å; K39-L43 PolarHBondContact O-N 3.27Å
40	E	49.1	Very low	56.9	Low	126 Å²	126	103.4 Å²	103.4	59%	0.589	53%	0.53	S	S	*	.	H	α-helix	trans	-67.7	-40.8	176.4	-67.3	-166.4	133	0	0	111.6	Q36 N37 K42 L43 C44	Q36-E40 PolarHBondContact O-N 3.35Å; N37-E40 PolarHBondContact O-N 2.9Å; E40-K42 PolarHBondContact O-N 3.17Å; E40-L43 PolarHBondContact O-N 3.44Å; E40-C44 WeakPolarHBondContact O-CB 3.31Å; E40-C44 PolarHBondContact O-N 2.91Å
41	E	51.1	Low	58.1	Low	137 Å²	137	98 Å²	98	64%	0.64	50%	0.502	S	S	*	.	H	α-helix	trans	-63.9	-40.5	176.3	-168.4	171.9	-137.4	0	0	112.1	N37 T45	N37-E41 VanDerWaalsContact O-CB 3.29Å; N37-E41 WeakPolarHBondContact O-CB 3.2Å; N37-E41 PolarHBondContact O-N 3.35Å; E41-T45 WeakPolarHBondContact O-CB 3.41Å; E41-T45 PolarHBondContact O-N 3.48Å; E41-T45 PolarHBondContact O-OG1 3Å
42	K	51.2	Low	59.5	Low	125 Å²	125	93.6 Å²	93.6	54%	0.543	48%	0.478	S	S	.	.	H	α-helix	trans	-67.1	-45.4	171.8	-76.4	173.5	-175.9	174.9	0	112.6	Q38 E40 C44 T45 E46	Q38-K42 VanDerWaalsContact O-CB 3.27Å; Q38-K42 WeakPolarHBondContact O-CB 3.46Å; Q38-K42 WeakPolarHBondContact O-CD 3.42Å; Q38-K42 WeakPolarHBondContact O-CG 3.49Å; Q38-K42 PolarHBondContact O-N 2.88Å; Q38-K42 VanDerWaalsContact O-N 3.13Å; E40-K42 PolarHBondContact O-N 3.17Å; K42-C44 VanDerWaalsContact C-N 3.3Å; K42-C44 PolarHBondContact O-N 3.05Å; K42-T45 PolarHBondContact O-N 3.48Å; K42-T45 VanDerWaalsContact O-N 3.15Å; K42-E46 PolarHBondContact O-N 2.92Å
43	L	53.6	Low	61.4	Low	106 Å²	106	92.8 Å²	92.8	56%	0.555	48%	0.478	S	S	*	.	H	α-helix	trans	-60.9	-41.4	178.3	-174.2	68.5	0	0	0	111.2	K39 E40 N47	K39-L43 VanDerWaalsContact O-CB 3.23Å; K39-L43 WeakPolarHBondContact O-CB 3.17Å; K39-L43 PolarHBondContact O-N 3.27Å; E40-L43 PolarHBondContact O-N 3.44Å; L43-N47 WeakPolarHBondContact O-CB 3.39Å; L43-N47 PolarHBondContact O-N 2.78Å; L43-N47 PolarHBondContact O-ND2 2.9Å; L43-N47 VanDerWaalsContact O-ND2 3.07Å
44	C	60.1	Low	63.2	Low	57 Å²	57	94.3 Å²	94.3	39%	0.385	49%	0.488	S	S	.	.	H	α-helix	trans	-59.9	-47.8	173.4	-162.8	0	0	0	0	111	E40 K42 N47 F48	E40-C44 WeakPolarHBondContact O-CB 3.31Å; E40-C44 PolarHBondContact O-N 2.91Å; K42-C44 VanDerWaalsContact C-N 3.3Å; K42-C44 PolarHBondContact O-N 3.05Å; C44-N47 PolarHBondContact O-N 2.83Å; C44-F48 HydrophobicContact CB-CE2 4.49Å; C44-F48 WeakPolarHBondContact O-CD2 3.2Å; C44-F48 WeakPolarHBondContact O-CE2 3.46Å; C44-F48 WeakPolarHBondContact O-CG 3.44Å; C44-F48 PolarHBondContact O-N 3.36Å; C44-F48 WeakPolarHBondContact SG-CE2 3.31Å; C44-F48 WeakPolarHBondContact SG-CZ 3.36Å
45	T	60.9	Low	65.3	Low	80 Å²	80	89.5 Å²	89.5	49%	0.491	46%	0.456	S	S	.	.	H	α-helix	trans	-63.6	-48.3	178.9	-55.1	0	0	0	0	112.8	E41 K42 N47 F48 T49	E41-T45 WeakPolarHBondContact O-CB 3.41Å; E41-T45 PolarHBondContact O-N 3.48Å; E41-T45 PolarHBondContact O-OG1 3Å; K42-T45 PolarHBondContact O-N 3.48Å; K42-T45 VanDerWaalsContact O-N 3.15Å; T45-N47 VanDerWaalsContact C-N 3.31Å; T45-N47 PolarHBondContact O-N 3Å; T45-F48 PolarHBondContact O-N 3.06Å; T45-F48 VanDerWaalsContact O-N 3.16Å; T45-T49 PolarHBondContact O-N 3.5Å
46	E	61.1	Low	67.3	Low	98 Å²	98	89.5 Å²	89.5	46%	0.458	45%	0.448	S	S	.	.	H	α-helix	trans	-61.5	-38.9	178.4	-78.1	-170.8	-142.1	0	0	112.3	K42 F48 T49 R50	K42-E46 PolarHBondContact O-N 2.92Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.23Å; E46-T49 PolarHBondContact O-N 3.08Å; E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.18Å; E46-R50 PolarHBondContact O-N 3.37Å; E46-R50 VanDerWaalsContact O-N 3.09Å; E46-R50 IonicContact OE2-CZ 2.73Å; E46-R50 IonicContact OE2-NH2 3.93Å; E46-R50 PolarHBondContact OE2-NH2 3.04Å
47	N	77.2	Confident	69.5	Low	69 Å²	69	90.4 Å²	90.4	37%	0.369	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-37.2	176.1	-76	-26.5	0	0	0	111.9	L43 C44 T45 I51	L43-N47 WeakPolarHBondContact O-CB 3.39Å; L43-N47 PolarHBondContact O-N 2.78Å; L43-N47 PolarHBondContact O-ND2 2.9Å; L43-N47 VanDerWaalsContact O-ND2 3.07Å; C44-N47 PolarHBondContact O-N 2.83Å; T45-N47 VanDerWaalsContact C-N 3.31Å; T45-N47 PolarHBondContact O-N 3Å; N47-I51 WeakPolarHBondContact O-CB 3.35Å; N47-I51 WeakPolarHBondContact O-CD1 3.48Å; N47-I51 VanDerWaalsContact O-CG1 3.22Å; N47-I51 WeakPolarHBondContact O-CG1 3.48Å; N47-I51 PolarHBondContact O-N 3.38Å
48	F	80.9	Confident	71.7	Confident	48 Å²	48	89.7 Å²	89.7	21%	0.211	47%	0.471	C	S	.	.	H	α-helix	trans	-68.8	-42.4	177.4	-59.9	-43.2	0	0	0	113.1	C44 T45 E46 R50 I51 L52 I114	C44-F48 HydrophobicContact CB-CE2 4.49Å; C44-F48 WeakPolarHBondContact O-CD2 3.2Å; C44-F48 WeakPolarHBondContact O-CE2 3.46Å; C44-F48 WeakPolarHBondContact O-CG 3.44Å; C44-F48 PolarHBondContact O-N 3.36Å; C44-F48 WeakPolarHBondContact SG-CE2 3.31Å; C44-F48 WeakPolarHBondContact SG-CZ 3.36Å; T45-F48 PolarHBondContact O-N 3.06Å; T45-F48 VanDerWaalsContact O-N 3.16Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.23Å; F48-R50 PolarHBondContact O-N 2.97Å; F48-I51 PolarHBondContact O-N 3.09Å; F48-L52 VanDerWaalsContact O-CG 3.29Å; F48-L52 WeakPolarHBondContact O-CG 3.22Å; F48-L52 PolarHBondContact O-N 3.06Å; F48-I114 HydrophobicContact CD1-CD1 4.19Å; F48-I114 HydrophobicContact CE1-CB 4.39Å; F48-I114 HydrophobicContact CE1-CD1 3.37Å; F48-I114 HydrophobicContact CE1-CG1 3.73Å; F48-I114 HydrophobicContact CE2-CD1 4.16Å; F48-I114 HydrophobicContact CZ-CD1 3.36Å; F48-I114 HydrophobicContact CZ-CG1 3.91Å
49	T	83.7	Confident	74.1	Confident	76 Å²	76	85.9 Å²	85.9	47%	0.466	45%	0.452	S	S	.	.	H	α-helix	trans	-60.5	-47.2	176.1	-50.2	0	0	0	0	110.5	T45 E46 I51 L52 D53	T45-T49 PolarHBondContact O-N 3.5Å; E46-T49 PolarHBondContact O-N 3.08Å; T49-I51 VanDerWaalsContact C-N 3.33Å; T49-I51 PolarHBondContact O-N 3.5Å; T49-L52 PolarHBondContact O-N 2.73Å; T49-D53 WeakPolarHBondContact CG2-OD2 3.19Å; T49-D53 PolarHBondContact O-N 2.75Å
50	R	85.7	Confident	76.5	Confident	156 Å²	156	80 Å²	80	59%	0.589	43%	0.429	S	S	*	.	H	α-helix	trans	-59.6	-39.8	177.1	-66	175	-162.6	-157.9	8.9	112.8	E46 F48 S54	E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.18Å; E46-R50 PolarHBondContact O-N 3.37Å; E46-R50 VanDerWaalsContact O-N 3.09Å; E46-R50 IonicContact OE2-CZ 2.73Å; E46-R50 IonicContact OE2-NH2 3.93Å; E46-R50 PolarHBondContact OE2-NH2 3.04Å; F48-R50 PolarHBondContact O-N 2.97Å; R50-S54 WeakPolarHBondContact O-CB 3.42Å; R50-S54 PolarHBondContact O-N 3.27Å
51	I	86.1	Confident	78.6	Confident	30 Å²	30	77.3 Å²	77.3	15%	0.154	42%	0.418	C	S	.	.	H	α-helix	trans	-63.9	-41.6	174.2	-72.2	164	0	0	0	111.1	N47 F48 T49 L55 Y110 L117	N47-I51 WeakPolarHBondContact O-CB 3.35Å; N47-I51 WeakPolarHBondContact O-CD1 3.48Å; N47-I51 VanDerWaalsContact O-CG1 3.22Å; N47-I51 WeakPolarHBondContact O-CG1 3.48Å; N47-I51 PolarHBondContact O-N 3.38Å; F48-I51 PolarHBondContact O-N 3.09Å; T49-I51 VanDerWaalsContact C-N 3.33Å; T49-I51 PolarHBondContact O-N 3.5Å; I51-L55 HydrophobicContact CG2-CD1 3.85Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CB 3.41Å; I51-L55 WeakPolarHBondContact O-CD1 3.3Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.48Å; I51-Y110 HydrophobicContact CG2-CD2 4.15Å; I51-Y110 HydrophobicContact CG2-CG 4.09Å; I51-L117 HydrophobicContact CG2-CD1 4.04Å
52	L	85	Confident	80.6	Confident	47 Å²	47	79.8 Å²	79.8	25%	0.246	42%	0.421	C	S	.	.	H	α-helix	trans	-71.6	-37.8	-178.1	-68.4	172.3	0	0	0	113.3	F48 T49 L55 L117 L119	F48-L52 VanDerWaalsContact O-CG 3.29Å; F48-L52 WeakPolarHBondContact O-CG 3.22Å; F48-L52 PolarHBondContact O-N 3.06Å; T49-L52 PolarHBondContact O-N 2.73Å; L52-L55 HydrophobicContact CD2-CD1 4.44Å; L52-L55 PolarHBondContact O-N 3.43Å; L52-L117 HydrophobicContact CD2-CD1 4.04Å; L52-L119 HydrophobicContact CD1-CD2 4.18Å; L52-L119 HydrophobicContact CD2-CD1 3.94Å; L52-L119 HydrophobicContact CD2-CD2 3.56Å; L52-L119 HydrophobicContact CD2-CG 4.44Å
53	D	86.5	Confident	82.7	Confident	100 Å²	100	76.8 Å²	76.8	54%	0.535	41%	0.411	S	S	.	.	H	α-helix	trans	-70.2	-43.2	174.4	-65.6	-36	0	0	0	110.5	T49 L55 L56 D57	T49-D53 WeakPolarHBondContact CG2-OD2 3.19Å; T49-D53 PolarHBondContact O-N 2.75Å; D53-L55 PolarHBondContact O-N 3.46Å; D53-L56 PolarHBondContact O-N 3.05Å; D53-D57 PolarHBondContact O-N 2.89Å; D53-D57 VanDerWaalsContact O-N 3.1Å
54	S	87.4	Confident	84.6	Confident	93 Å²	93	72.3 Å²	72.3	65%	0.65	39%	0.387	S	S	*	.	H	α-helix	trans	-64.9	-23.2	175.1	-176.1	0	0	0	0	114.1	R50 L56	R50-S54 WeakPolarHBondContact O-CB 3.42Å; R50-S54 PolarHBondContact O-N 3.27Å; S54-L56 VanDerWaalsContact C-N 3.3Å
55	L	89.2	Confident	86.3	Confident	9 Å²	9	70 Å²	70	5%	0.047	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16	173.3	-84.9	167.1	0	0	0	113.1	I51 L52 D53 L108 Y110 L117	I51-L55 HydrophobicContact CG2-CD1 3.85Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CB 3.41Å; I51-L55 WeakPolarHBondContact O-CD1 3.3Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.48Å; L52-L55 HydrophobicContact CD2-CD1 4.44Å; L52-L55 PolarHBondContact O-N 3.43Å; D53-L55 PolarHBondContact O-N 3.46Å; L55-L108 HydrophobicContact CB-CD2 4.02Å; L55-L108 HydrophobicContact CD2-CB 4.19Å; L55-L108 HydrophobicContact CD2-CD2 3.84Å; L55-L108 WeakPolarHBondContact O-CD2 3.17Å; L55-Y110 HydrophobicContact CD1-CD1 4.02Å; L55-Y110 HydrophobicContact CD1-CG 4.31Å; L55-Y110 HydrophobicContact CD2-CD1 4.37Å; L55-L117 HydrophobicContact CD1-CD1 3.7Å
56	L	88.6	Confident	87.8	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.188	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-15.4	-179.2	-69.7	172.2	0	0	0	113.1	D53 S54 G58 Y59 M123 K126 V127	D53-L56 PolarHBondContact O-N 3.05Å; S54-L56 VanDerWaalsContact C-N 3.3Å; L56-G58 PolarHBondContact O-N 2.65Å; L56-Y59 WeakPolarHBondContact O-CB 3.16Å; L56-Y59 PolarHBondContact O-N 3.02Å; L56-Y59 VanDerWaalsContact O-N 3.1Å; L56-M123 HydrophobicContact CD1-CE 4.14Å; L56-M123 HydrophobicContact CD1-SD 3.97Å; L56-M123 HydrophobicContact CD2-CE 3.68Å; L56-M123 HydrophobicContact CD2-SD 4.17Å; L56-M123 HydrophobicContact CG-CE 3.84Å; L56-M123 HydrophobicContact CG-SD 4.31Å; L56-K126 HydrophobicContact CD1-CD 3.58Å; L56-K126 HydrophobicContact CD2-CB 3.91Å; L56-K126 HydrophobicContact CD2-CD 4.27Å; L56-V127 HydrophobicContact CD2-CG2 4.44Å
57	D	90.4	Very high	89.3	Confident	143 Å²	143	69.5 Å²	69.5	77%	0.765	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	132.5	173.8	-166.5	13.6	0	0	0	110.9	D53 Y59	D53-D57 PolarHBondContact O-N 2.89Å; D53-D57 VanDerWaalsContact O-N 3.1Å; D57-Y59 PolarHBondContact O-N 3.47Å
58	G	90.4	Very high	89.9	Confident	78 Å²	78	70 Å²	70	80%	0.804	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	4.5	-171.4	0	0	0	0	0	116.8	L56 D60	L56-G58 PolarHBondContact O-N 2.65Å; G58-D60 PolarHBondContact O-N 2.87Å
59	Y	94.2	Very high	90.5	Very high	28 Å²	28	69.8 Å²	69.8	11%	0.11	40%	0.404	C	S	.	.			trans	-79.6	109	-173.6	-170.5	-83.3	0	0	0	113	L56 D57 N61 D105 R107 L108 V127 W128	L56-Y59 WeakPolarHBondContact O-CB 3.16Å; L56-Y59 PolarHBondContact O-N 3.02Å; L56-Y59 VanDerWaalsContact O-N 3.1Å; D57-Y59 PolarHBondContact O-N 3.47Å; Y59-N61 HydrophobicContact CD1-CB 4.35Å; Y59-N61 HydrophobicContact CE1-CB 3.96Å; Y59-D105 WeakPolarHBondContact CE2-OD2 3.27Å; Y59-D105 PolarHBondContact OH-OD2 3.47Å; Y59-R107 HydrophobicContact CD2-CB 3.93Å; Y59-R107 HydrophobicContact CE2-CB 3.82Å; Y59-R107 PolarHBondContact OH-NH2 3.44Å; Y59-R107 VanDerWaalsContact OH-NH2 3.09Å; Y59-L108 HydrophobicContact CD2-CD1 4.43Å; Y59-L108 HydrophobicContact CD2-CD2 4.05Å; Y59-L108 HydrophobicContact CD2-CG 4.08Å; Y59-L108 HydrophobicContact CE2-CD1 3.68Å; Y59-L108 HydrophobicContact CE2-CD2 4.11Å; Y59-L108 HydrophobicContact CE2-CG 3.67Å; Y59-V127 HydrophobicContact CE1-CB 4.49Å; Y59-V127 HydrophobicContact CE1-CG1 4.43Å; Y59-W128 WeakPolarHBondContact OH-CB 3.34Å; Y59-W128 PolarHBondContact OH-N 3.48Å; Y59-W128 VanDerWaalsContact OH-N 3.14Å
60	D	93.7	Very high	91	Very high	39 Å²	39	71 Å²	71	21%	0.209	41%	0.413	C	S	.	.			trans	-89.9	109.9	171.6	-165.5	-20.5	0	0	0	112.2	G58 R62 L63 R107	G58-D60 PolarHBondContact O-N 2.87Å; D60-R62 VanDerWaalsContact C-N 3.27Å; D60-R62 PolarHBondContact O-N 2.92Å; D60-R62 WeakPolarHBondContact OD1-CB 3.43Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 IonicContact OD1-CZ 3.28Å; D60-R62 PolarHBondContact OD1-N 2.68Å; D60-R62 IonicContact OD1-NE 3.8Å; D60-R62 PolarHBondContact OD1-NE 2.91Å; D60-R62 IonicContact OD1-NH2 3.01Å; D60-R62 IonicContact OD2-CZ 3.03Å; D60-R62 IonicContact OD2-NE 2.76Å; D60-R62 PolarHBondContact OD2-NE 3.31Å; D60-R62 IonicContact OD2-NH2 3.15Å; D60-R62 PolarHBondContact OD2-NH2 3.42Å; D60-L63 HydrophobicContact CB-CD1 4.2Å; D60-L63 HydrophobicContact CB-CG 4.3Å; D60-L63 PolarHBondContact O-N 3.43Å; D60-R107 PolarHBondContact O-NH1 3.32Å
61	N	93.5	Very high	91.5	Very high	68 Å²	68	66.6 Å²	66.6	36%	0.364	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.7	178.8	71.3	-10.2	0	0	0	114.7	Y59 T125 K126	Y59-N61 HydrophobicContact CD1-CB 4.35Å; Y59-N61 HydrophobicContact CE1-CB 3.96Å; N61-T125 PolarHBondContact ND2-O 3.23Å; N61-K126 WeakPolarHBondContact CB-O 3.42Å
62	R	93.5	Very high	92	Very high	189 Å²	189	65.5 Å²	65.5	71%	0.713	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-22.4	175.2	-54.8	169.2	-66.2	-175.1	3.4	111.8	D60	D60-R62 VanDerWaalsContact C-N 3.27Å; D60-R62 PolarHBondContact O-N 2.92Å; D60-R62 WeakPolarHBondContact OD1-CB 3.43Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 IonicContact OD1-CZ 3.28Å; D60-R62 PolarHBondContact OD1-N 2.68Å; D60-R62 IonicContact OD1-NE 3.8Å; D60-R62 PolarHBondContact OD1-NE 2.91Å; D60-R62 IonicContact OD1-NH2 3.01Å; D60-R62 IonicContact OD2-CZ 3.03Å; D60-R62 IonicContact OD2-NE 2.76Å; D60-R62 PolarHBondContact OD2-NE 3.31Å; D60-R62 IonicContact OD2-NH2 3.15Å; D60-R62 PolarHBondContact OD2-NH2 3.42Å
63	L	94.3	Very high	92.6	Very high	63 Å²	63	66.9 Å²	66.9	33%	0.33	40%	0.403	S	S	.	.	S	Bend	trans	-96.4	130.3	-177	-59.2	179.7	0	0	0	111.3	D60 F67 R107	D60-L63 HydrophobicContact CB-CD1 4.2Å; D60-L63 HydrophobicContact CB-CG 4.3Å; D60-L63 PolarHBondContact O-N 3.43Å; L63-F67 HydrophobicContact CB-CB 4.48Å; L63-F67 HydrophobicContact CD2-CD1 4.27Å; L63-F67 HydrophobicContact CD2-CD2 4.3Å; L63-F67 HydrophobicContact CD2-CE1 4.38Å; L63-F67 HydrophobicContact CD2-CE2 4.41Å; L63-F67 HydrophobicContact CD2-CG 4.23Å; L63-F67 HydrophobicContact CD2-CZ 4.44Å; L63-R107 PolarHBondContact O-NH1 2.93Å; L63-R107 VanDerWaalsContact O-NH1 3.17Å; L63-R107 PolarHBondContact O-NH2 3.47Å
64	R	95.1	Very high	93.1	Very high	11 Å²	11	62.1 Å²	62.1	4%	0.042	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-67.7	150.3	175.6	72	174.5	-178.6	79.8	2.5	111.6	G66 F67 P70 T72 W128 Y195 E199	R64-G66 PolarHBondContact NH1-O 3.27Å; R64-G66 PolarHBondContact O-N 3.47Å; R64-F67 HydrophobicContact CG-CB 4.24Å; R64-F67 HydrophobicContact CG-CD2 4.47Å; R64-F67 WeakPolarHBondContact O-CB 3.45Å; R64-F67 PolarHBondContact O-N 3.5Å; R64-P70 PolarHBondContact NH1-O 3.02Å; R64-T72 PolarHBondContact NH1-OG1 3.34Å; R64-T72 VanDerWaalsContact NH1-OG1 3.12Å; R64-W128 HydrophobicContact CB-CZ2 3.81Å; R64-Y195 HydrophobicContact CB-CE1 4.19Å; R64-Y195 HydrophobicContact CG-CE1 4.47Å; R64-E199 WeakPolarHBondContact CD-OE2 3.49Å; R64-E199 IonicContact CZ-OE2 2.94Å; R64-E199 IonicContact NE-OE2 2.63Å; R64-E199 PolarHBondContact NE-OE2 3Å; R64-E199 PolarHBondContact NH1-O 2.87Å; R64-E199 IonicContact NH2-OE2 2.76Å
65	P	95.1	Very high	93.6	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.052	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	120.8	171.8	-20.7	30.2	0	0	0	110.9	T72 I104 D105 W128	P65-T72 HydrophobicContact CB-CG2 4.2Å; P65-T72 HydrophobicContact CG-CG2 4.15Å; P65-T72 PolarHBondContact O-OG1 3.15Å; P65-I104 WeakPolarHBondContact CB-O 3.38Å; P65-D105 HydrophobicContact CB-CB 4.02Å; P65-D105 HydrophobicContact CG-CB 3.83Å; P65-W128 VanDerWaalsContact CD-CD2 3.5Å; P65-W128 HydrophobicContact CG-CD2 4.33Å; P65-W128 HydrophobicContact CG-CE3 3.7Å; P65-W128 HydrophobicContact CG-CZ3 3.9Å
66	G	92.1	Very high	94	Very high	37 Å²	37	61 Å²	61	38%	0.381	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	23.2	-175.6	0	0	0	0	0	114.9	R64 G68 G69	R64-G66 PolarHBondContact NH1-O 3.27Å; R64-G66 PolarHBondContact O-N 3.47Å; G66-G68 PolarHBondContact O-N 2.97Å; G66-G69 CarbonylContact O-C 3.15Å; G66-G69 VanDerWaalsContact O-C 3.3Å; G66-G69 WeakPolarHBondContact O-CA 3.42Å; G66-G69 PolarHBondContact O-N 3.03Å
67	F	92.6	Very high	94.3	Very high	132 Å²	132	59.8 Å²	59.8	58%	0.579	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	135.7	167.8	-175.6	-97.7	0	0	0	111.7	L63 R64 G69	L63-F67 HydrophobicContact CB-CB 4.48Å; L63-F67 HydrophobicContact CD2-CD1 4.27Å; L63-F67 HydrophobicContact CD2-CD2 4.3Å; L63-F67 HydrophobicContact CD2-CE1 4.38Å; L63-F67 HydrophobicContact CD2-CE2 4.41Å; L63-F67 HydrophobicContact CD2-CG 4.23Å; L63-F67 HydrophobicContact CD2-CZ 4.44Å; R64-F67 HydrophobicContact CG-CB 4.24Å; R64-F67 HydrophobicContact CG-CD2 4.47Å; R64-F67 WeakPolarHBondContact O-CB 3.45Å; R64-F67 PolarHBondContact O-N 3.5Å; F67-G69 PolarHBondContact O-N 2.67Å
68	G	90.4	Very high	94.5	Very high	79 Å²	79	53 Å²	53	81%	0.814	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	-3.1	-172.6	0	0	0	0	0	115.6	G66	G66-G68 PolarHBondContact O-N 2.97Å
69	G	93	Very high	94.8	Very high	44 Å²	44	53 Å²	53	45%	0.454	30%	0.295	S	S	.	.	S	Bend	trans	-131.5	-140.9	-180	0	0	0	0	0	112.4	G66 F67	G66-G69 CarbonylContact O-C 3.15Å; G66-G69 VanDerWaalsContact O-C 3.3Å; G66-G69 WeakPolarHBondContact O-CA 3.42Å; G66-G69 PolarHBondContact O-N 3.03Å; F67-G69 PolarHBondContact O-N 2.67Å
70	P	94.9	Very high	94.8	Very high	101 Å²	101	51.6 Å²	51.6	66%	0.656	29%	0.289	S	S	*	.	S	Bend	trans	-62.4	160.3	-171	27.5	-35.8	0	0	0	113.3	R64	R64-P70 PolarHBondContact NH1-O 3.02Å
71	V	95.9	Very high	94.8	Very high	64 Å²	64	51.5 Å²	51.5	39%	0.388	29%	0.29	S	S	.	.			trans	-62.5	142.2	173.2	-59.3	0	0	0	0	111.1	E73 E199 I201	V71-E73 PolarHBondContact O-N 3.16Å; V71-E199 CarbonylContact C-O 3.3Å; V71-E199 WeakPolarHBondContact CA-O 3.42Å; V71-I201 HydrophobicContact CG2-CD1 3.94Å; V71-I201 HydrophobicContact CG2-CG1 4.09Å; V71-I201 HydrophobicContact CG2-CG2 4.49Å
72	T	97	Very high	94.8	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.7	173.8	-45	0	0	0	0	108.6	R64 P65 V74 W128 E199 M200 I201	R64-T72 PolarHBondContact NH1-OG1 3.34Å; R64-T72 VanDerWaalsContact NH1-OG1 3.12Å; P65-T72 HydrophobicContact CB-CG2 4.2Å; P65-T72 HydrophobicContact CG-CG2 4.15Å; P65-T72 PolarHBondContact O-OG1 3.15Å; T72-V74 HydrophobicContact CG2-CG2 4.5Å; T72-W128 HydrophobicContact CG2-CH2 4.02Å; T72-W128 HydrophobicContact CG2-CZ3 4.21Å; T72-E199 PolarHBondContact N-O 2.63Å; T72-M200 WeakPolarHBondContact O-CA 3.48Å; T72-M200 WeakPolarHBondContact O-CG 3.39Å; T72-I201 PolarHBondContact O-N 2.94Å
73	E	96.9	Very high	94.8	Very high	76 Å²	76	40.7 Å²	40.7	36%	0.355	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125	173.1	-168.4	-170.3	-168.8	0	0	110.3	V71 K75 W103 I201 T203	V71-E73 PolarHBondContact O-N 3.16Å; E73-K75 WeakPolarHBondContact OE1-CE 3.5Å; E73-K75 IonicContact OE1-NZ 3.12Å; E73-K75 PolarHBondContact OE1-NZ 2.93Å; E73-K75 WeakPolarHBondContact OE2-CE 3.43Å; E73-K75 IonicContact OE2-NZ 2.87Å; E73-K75 PolarHBondContact OE2-NZ 2.97Å; E73-W103 WeakPolarHBondContact O-CB 3.39Å; E73-I201 HydrophobicContact CB-CG1 4.26Å; E73-I201 HydrophobicContact CG-CD1 4.33Å; E73-I201 HydrophobicContact CG-CG1 4.2Å; E73-T203 HydrophobicContact CG-CG2 4.17Å; E73-T203 WeakPolarHBondContact OE1-CB 3.05Å; E73-T203 WeakPolarHBondContact OE1-CG2 3.34Å; E73-T203 PolarHBondContact OE1-OG1 3.11Å
74	V	97.7	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	103.2	176.1	-175.8	0	0	0	0	109.8	T72 T76 Q101 W103 P130 M200 I201 Y202 T203	T72-V74 HydrophobicContact CG2-CG2 4.5Å; V74-T76 HydrophobicContact CG1-CG2 4.33Å; V74-Q101 HydrophobicContact CG1-CB 4.2Å; V74-W103 HydrophobicContact CG2-CB 4.2Å; V74-P130 HydrophobicContact CG1-CB 4.47Å; V74-P130 HydrophobicContact CG1-CG 4.13Å; V74-P130 HydrophobicContact CG2-CB 4.18Å; V74-P130 HydrophobicContact CG2-CG 4.46Å; V74-M200 HydrophobicContact CG2-CG 3.92Å; V74-M200 HydrophobicContact CG2-SD 3.6Å; V74-M200 VanDerWaalsContact CG2-SD 3.6Å; V74-I201 PolarHBondContact N-O 2.9Å; V74-Y202 HydrophobicContact CB-CD1 3.92Å; V74-Y202 HydrophobicContact CB-CE1 4.05Å; V74-Y202 HydrophobicContact CG1-CD1 3.98Å; V74-Y202 HydrophobicContact CG1-CE1 3.88Å; V74-Y202 WeakPolarHBondContact O-CA 3.4Å; V74-T203 PolarHBondContact O-N 2.79Å; V74-T203 VanDerWaalsContact O-N 3.09Å
75	K	97.2	Very high	94.5	Very high	79 Å²	79	42 Å²	42	34%	0.343	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.9	176.3	-77.3	169.7	-173.3	159.2	0	110.4	E73 Q101 T102 T203	E73-K75 WeakPolarHBondContact OE1-CE 3.5Å; E73-K75 IonicContact OE1-NZ 3.12Å; E73-K75 PolarHBondContact OE1-NZ 2.93Å; E73-K75 WeakPolarHBondContact OE2-CE 3.43Å; E73-K75 IonicContact OE2-NZ 2.87Å; E73-K75 PolarHBondContact OE2-NZ 2.97Å; K75-Q101 CarbonylContact O-C 3.57Å; K75-Q101 WeakPolarHBondContact O-CA 3.42Å; K75-T102 PolarHBondContact N-O 2.97Å; K75-T102 PolarHBondContact O-N 2.9Å; K75-T203 CarbonylContact C-O 3.59Å; K75-T203 VanDerWaalsContact CA-O 3.3Å; K75-T203 WeakPolarHBondContact CA-O 3.05Å; K75-T203 WeakPolarHBondContact CG-OG1 3.4Å
76	T	97.1	Very high	94.5	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	152	-178.5	54.4	0	0	0	0	112.9	V74 F99 R100 Q101 F190 Y202 T203 T205 S211	V74-T76 HydrophobicContact CG1-CG2 4.33Å; T76-F99 HydrophobicContact CG2-CZ 4.28Å; T76-R100 WeakPolarHBondContact CA-O 3.37Å; T76-Q101 HydrophobicContact CG2-CG 4.35Å; T76-F190 HydrophobicContact CG2-CE2 4Å; T76-Y202 HydrophobicContact CG2-CD1 3.89Å; T76-Y202 HydrophobicContact CG2-CE1 4.42Å; T76-T203 PolarHBondContact N-O 2.96Å; T76-T203 PolarHBondContact OG1-O 3.36Å; T76-T205 PolarHBondContact N-OG1 3.44Å; T76-T205 WeakPolarHBondContact O-CB 3.24Å; T76-T205 PolarHBondContact O-N 2.98Å; T76-T205 PolarHBondContact O-OG1 2.96Å; T76-S211 PolarHBondContact O-OG 3.07Å; T76-S211 VanDerWaalsContact O-OG 3.14Å
77	D	94.7	Very high	94.5	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	133.5	-179.2	-179.2	57.6	0	0	0	107.3	R100 K206	D77-R100 HydrophobicContact CB-CB 4.08Å; D77-R100 PolarHBondContact N-O 3.3Å; D77-R100 VanDerWaalsContact N-O 3.11Å; D77-R100 VanDerWaalsContact O-CB 3.32Å; D77-R100 WeakPolarHBondContact O-CB 3.49Å; D77-R100 PolarHBondContact O-N 3.39Å; D77-R100 WeakPolarHBondContact OD2-CD 3.4Å; D77-R100 IonicContact OD2-CZ 3.31Å; D77-R100 IonicContact OD2-NE 3.1Å; D77-R100 IonicContact OD2-NH1 2.77Å; D77-R100 PolarHBondContact OD2-NH1 3.48Å; D77-K206 WeakPolarHBondContact OD1-CE 3.4Å; D77-K206 IonicContact OD1-NZ 2.72Å; D77-K206 PolarHBondContact OD1-NZ 3.39Å; D77-K206 IonicContact OD2-NZ 3.78Å; D77-K206 PolarHBondContact OD2-NZ 2.88Å
78	I	96.4	Very high	94.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.8	-174.2	-56	-175.5	0	0	0	108.3	V80 V97 F99 L188 F190 W204 S211 V212 E213 V248	I78-V80 HydrophobicContact CG2-CG2 4.19Å; I78-V97 HydrophobicContact CG2-CB 4.17Å; I78-V97 HydrophobicContact CG2-CG1 4.09Å; I78-F99 HydrophobicContact CD1-CD2 4.09Å; I78-F99 HydrophobicContact CD1-CE2 4.04Å; I78-F99 HydrophobicContact CG1-CD2 3.93Å; I78-F99 HydrophobicContact CG1-CE2 4.14Å; I78-L188 HydrophobicContact CD1-CD2 4.36Å; I78-F190 HydrophobicContact CD1-CD1 4.49Å; I78-F190 HydrophobicContact CD1-CE1 3.64Å; I78-F190 HydrophobicContact CD1-CZ 4.07Å; I78-W204 HydrophobicContact CD1-CH2 4.17Å; I78-W204 HydrophobicContact CD1-CZ3 4.2Å; I78-W204 HydrophobicContact CG1-CZ3 4.29Å; I78-S211 PolarHBondContact N-O 2.88Å; I78-V212 HydrophobicContact CB-CG2 4.48Å; I78-V212 CarbonylContact O-C 3.59Å; I78-V212 WeakPolarHBondContact O-CA 3.4Å; I78-E213 PolarHBondContact O-N 3.03Å; I78-V248 HydrophobicContact CD1-CG2 4.48Å
79	Y	95.4	Very high	94.5	Very high	76 Å²	76	36.4 Å²	36.4	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.6	169	-174.4	-80.3	0	0	0	108.1	T81 V97 F98 E213 P215	Y79-T81 HydrophobicContact CD1-CG2 3.8Å; Y79-T81 HydrophobicContact CE1-CG2 3.92Å; Y79-T81 PolarHBondContact O-N 3.44Å; Y79-V97 CarbonylContact O-C 3.59Å; Y79-V97 WeakPolarHBondContact O-CA 3.34Å; Y79-F98 HydrophobicContact CD1-CD2 4.12Å; Y79-F98 PolarHBondContact N-O 3.43Å; Y79-F98 VanDerWaalsContact N-O 3.15Å; Y79-F98 PolarHBondContact O-N 2.88Å; Y79-E213 HydrophobicContact CD2-CB 3.84Å; Y79-E213 WeakPolarHBondContact CD2-OE2 3.43Å; Y79-E213 HydrophobicContact CE2-CB 4.43Å; Y79-P215 HydrophobicContact CE1-CG 3.98Å; Y79-P215 HydrophobicContact CE2-CG 4.08Å; Y79-P215 VanDerWaalsContact OH-CG 3.23Å; Y79-P215 WeakPolarHBondContact OH-CG 3.38Å
80	V	95.3	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	111.7	178.4	-178.3	0	0	0	0	108.1	I78 S82 V97 E213 V214 P215 S218 F250	I78-V80 HydrophobicContact CG2-CG2 4.19Å; V80-S82 WeakPolarHBondContact CG1-O 3.22Å; V80-V97 HydrophobicContact CG2-CG1 4.12Å; V80-E213 PolarHBondContact N-O 3.15Å; V80-V214 HydrophobicContact CB-CG1 4.31Å; V80-V214 HydrophobicContact CB-CG2 4.12Å; V80-V214 HydrophobicContact CG1-CG1 4.49Å; V80-V214 HydrophobicContact CG2-CG2 3.92Å; V80-P215 WeakPolarHBondContact O-CD 3.42Å; V80-S218 PolarHBondContact O-OG 3.11Å; V80-F250 HydrophobicContact CG2-CE1 4.23Å; V80-F250 HydrophobicContact CG2-CZ 4.22Å
81	T	93.9	Very high	94.4	Very high	36 Å²	36	37.8 Å²	37.8	22%	0.221	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-33.8	178.5	47.1	0	0	0	0	112.3	Y79 D96 F98 S218	Y79-T81 HydrophobicContact CD1-CG2 3.8Å; Y79-T81 HydrophobicContact CE1-CG2 3.92Å; Y79-T81 PolarHBondContact O-N 3.44Å; T81-D96 PolarHBondContact N-O 3.29Å; T81-D96 WeakPolarHBondContact OG1-CB 3.3Å; T81-D96 PolarHBondContact OG1-O 2.88Å; T81-F98 HydrophobicContact CG2-CD2 3.42Å; T81-F98 VanDerWaalsContact CG2-CD2 3.42Å; T81-F98 HydrophobicContact CG2-CE2 3.37Å; T81-F98 HydrophobicContact CG2-CG 4.46Å; T81-F98 HydrophobicContact CG2-CZ 4.37Å; T81-S218 VanDerWaalsContact O-CB 3.23Å; T81-S218 WeakPolarHBondContact O-CB 3.45Å; T81-S218 PolarHBondContact O-OG 3.49Å
82	S	93.4	Very high	94.4	Very high	30 Å²	30	36.5 Å²	36.5	21%	0.21	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	138.4	171.2	69.9	0	0	0	0	110.3	V80 M95 D96 S218	V80-S82 WeakPolarHBondContact CG1-O 3.22Å; S82-M95 CarbonylContact O-C 3.56Å; S82-M95 VanDerWaalsContact O-CA 3.29Å; S82-M95 WeakPolarHBondContact O-CA 3.34Å; S82-M95 WeakPolarHBondContact O-CB 3.23Å; S82-D96 PolarHBondContact N-O 3.42Å; S82-D96 PolarHBondContact O-N 2.99Å; S82-D96 VanDerWaalsContact OG-CB 3.3Å; S82-D96 WeakPolarHBondContact OG-CB 3.47Å; S82-D96 PolarHBondContact OG-N 3.05Å; S82-S218 CarbonylContact C-O 3.42Å; S82-S218 WeakPolarHBondContact CA-O 3.47Å
83	F	92.8	Very high	94.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.3	158.6	-154.1	-69.6	0	0	0	107	V86 Y93 M95 S218 S220 L221 L226 F250 L252	F83-V86 HydrophobicContact CE1-CG2 3.9Å; F83-Y93 HydrophobicContact CE1-CD2 4.11Å; F83-Y93 HydrophobicContact CE1-CG 4.4Å; F83-Y93 HydrophobicContact CE2-CD2 4.31Å; F83-Y93 AromaticContact CZ-CD2 3.65Å; F83-Y93 HydrophobicContact CZ-CD2 3.65Å; F83-Y93 HydrophobicContact CZ-CE2 4.22Å; F83-Y93 HydrophobicContact CZ-CG 4.09Å; F83-M95 HydrophobicContact CD2-CE 3.88Å; F83-M95 HydrophobicContact CE2-CE 3.55Å; F83-M95 HydrophobicContact CZ-CE 4.38Å; F83-S218 PolarHBondContact N-O 2.85Å; F83-S220 PolarHBondContact O-N 3.25Å; F83-S220 VanDerWaalsContact O-N 3.15Å; F83-S220 PolarHBondContact O-OG 3.42Å; F83-L221 HydrophobicContact CD1-CD1 3.85Å; F83-L221 HydrophobicContact CD1-CD2 3.79Å; F83-L221 HydrophobicContact CD1-CG 3.97Å; F83-L221 HydrophobicContact CE1-CD1 4.33Å; F83-L221 HydrophobicContact CE1-CD2 4.17Å; F83-L221 HydrophobicContact CG-CD1 4.37Å; F83-L226 HydrophobicContact CD2-CD2 4.27Å; F83-F250 HydrophobicContact CD2-CD1 4.27Å; F83-F250 HydrophobicContact CE2-CB 3.82Å; F83-F250 AromaticContact CE2-CD1 3.87Å; F83-F250 HydrophobicContact CE2-CD1 3.87Å; F83-F250 HydrophobicContact CE2-CD2 4.21Å; F83-F250 AromaticContact CE2-CG 3.7Å; F83-F250 HydrophobicContact CE2-CG 3.7Å; F83-F250 HydrophobicContact CZ-CB 4.31Å; F83-L252 HydrophobicContact CE1-CD1 4.31Å; F83-L252 HydrophobicContact CE1-CD2 4.27Å; F83-L252 HydrophobicContact CZ-CD1 4.29Å; F83-L252 HydrophobicContact CZ-CD2 4.2Å
84	G	90.7	Very high	94.2	Very high	6 Å²	6	34 Å²	34	6%	0.062	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-167.4	-171.6	0	0	0	0	0	113.4	T94 L221	G84-T94 VanDerWaalsContact CA-O 3.3Å; G84-T94 WeakPolarHBondContact CA-O 3.25Å; G84-T94 PolarHBondContact N-O 2.97Å; G84-L221 VanDerWaalsContact O-CD2 3.27Å; G84-L221 WeakPolarHBondContact O-CD2 3.31Å
85	P	92.8	Very high	94.1	Very high	95 Å²	95	34 Å²	34	62%	0.617	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	146.8	175.9	23.1	-33.9	0	0	0	113.1	T94	P85-T94 WeakPolarHBondContact CD-OG1 3.39Å; P85-T94 WeakPolarHBondContact CG-OG1 3.26Å; P85-T94 PolarHBondContact O-N 2.71Å; P85-T94 PolarHBondContact O-OG1 3.47Å
86	V	94	Very high	94	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.5	172.9	178	0	0	0	0	107	F83 M174 L221 Y224 L252	F83-V86 HydrophobicContact CE1-CG2 3.9Å; V86-M174 HydrophobicContact CG1-CE 3.44Å; V86-M174 VanDerWaalsContact CG1-CE 3.44Å; V86-M174 HydrophobicContact CG1-SD 4.47Å; V86-L221 HydrophobicContact CG2-CD2 3.67Å; V86-Y224 HydrophobicContact CB-CD2 4.01Å; V86-Y224 HydrophobicContact CB-CE2 3.83Å; V86-Y224 HydrophobicContact CG1-CD2 4.22Å; V86-Y224 HydrophobicContact CG1-CE2 3.59Å; V86-Y224 HydrophobicContact CG2-CD2 4.28Å; V86-Y224 HydrophobicContact CG2-CE2 4.47Å; V86-L252 HydrophobicContact CG2-CD1 3.89Å
87	S	93.1	Very high	94	Very high	39 Å²	39	31.7 Å²	31.7	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	105	178.9	-176.7	0	0	0	0	109.8	V89 E90 M91 E92	S87-V89 PolarHBondContact O-N 3.19Å; S87-E90 WeakPolarHBondContact OG-CB 3.44Å; S87-E90 PolarHBondContact OG-N 2.95Å; S87-E90 VanDerWaalsContact OG-N 3.17Å; S87-M91 WeakPolarHBondContact O-CA 3.37Å; S87-M91 PolarHBondContact O-N 2.93Å; S87-E92 PolarHBondContact N-O 3.13Å; S87-E92 PolarHBondContact O-N 2.96Å
88	D	91.7	Very high	94.1	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.048	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.5	171.1	-61.2	-64.3	0	0	0	111.3	Y224 R254 P311	D88-Y224 PolarHBondContact OD1-OH 3.07Å; D88-R254 IonicContact OD1-CZ 3.44Å; D88-R254 VanDerWaalsContact OD1-CZ 3.32Å; D88-R254 IonicContact OD1-NH1 2.59Å; D88-R254 PolarHBondContact OD1-NH1 3.35Å; D88-R254 IonicContact OD1-NH2 3.93Å; D88-R254 PolarHBondContact OD1-NH2 2.86Å; D88-R254 IonicContact OD2-CZ 3.48Å; D88-R254 IonicContact OD2-NH1 3.59Å; D88-R254 PolarHBondContact OD2-NH1 3.2Å; D88-P311 WeakPolarHBondContact O-CD 3.44Å; D88-P311 VanDerWaalsContact O-CG 3.24Å; D88-P311 WeakPolarHBondContact O-CG 3.36Å
89	V	90.6	Very high	94.1	Very high	83 Å²	83	34.8 Å²	34.8	50%	0.503	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-43.8	-176.5	179.8	0	0	0	0	112	S87	S87-V89 PolarHBondContact O-N 3.19Å
90	E	92.6	Very high	94.2	Very high	117 Å²	117	34.5 Å²	34.5	55%	0.547	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-3.5	-178.5	-64.7	-63.6	147.4	0	0	112.8	S87 E92 K138	S87-E90 WeakPolarHBondContact OG-CB 3.44Å; S87-E90 PolarHBondContact OG-N 2.95Å; S87-E90 VanDerWaalsContact OG-N 3.17Å; E90-E92 VanDerWaalsContact C-N 3.29Å; E90-E92 HydrophobicContact CB-CG 3.92Å; E90-E92 PolarHBondContact O-N 3Å; E90-K138 PolarHBondContact O-NZ 3.32Å
91	M	93.5	Very high	94.3	Very high	57 Å²	57	34.5 Å²	34.5	28%	0.281	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	48.3	-174.4	-63.9	-174.3	175.9	0	0	112.3	S87 E171 C172 P311	S87-M91 WeakPolarHBondContact O-CA 3.37Å; S87-M91 PolarHBondContact O-N 2.93Å; M91-E171 WeakPolarHBondContact O-CA 3.35Å; M91-C172 PolarHBondContact O-N 3.47Å; M91-P311 HydrophobicContact CE-CG 4.38Å
92	E	95.2	Very high	94.5	Very high	36 Å²	36	34.4 Å²	34.4	17%	0.168	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158	177.6	71	176.3	-150.5	0	0	111.8	S87 E90 K138 A170	S87-E92 PolarHBondContact N-O 3.13Å; S87-E92 PolarHBondContact O-N 2.96Å; E90-E92 VanDerWaalsContact C-N 3.29Å; E90-E92 HydrophobicContact CB-CG 3.92Å; E90-E92 PolarHBondContact O-N 3Å; E92-K138 HydrophobicContact CB-CD 4.15Å; E92-K138 WeakPolarHBondContact OE2-CD 3.34Å; E92-A170 CarbonylContact C-O 3.6Å; E92-A170 VanDerWaalsContact CA-O 3.25Å; E92-A170 WeakPolarHBondContact CA-O 3.45Å; E92-A170 WeakPolarHBondContact CB-O 3.29Å
93	Y	95.4	Very high	94.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161	169.8	67.2	-85.6	0	0	0	110	F83 M95 S169 A170 C172 C186 P187 L188	F83-Y93 HydrophobicContact CE1-CD2 4.11Å; F83-Y93 HydrophobicContact CE1-CG 4.4Å; F83-Y93 HydrophobicContact CE2-CD2 4.31Å; F83-Y93 AromaticContact CZ-CD2 3.65Å; F83-Y93 HydrophobicContact CZ-CD2 3.65Å; F83-Y93 HydrophobicContact CZ-CE2 4.22Å; F83-Y93 HydrophobicContact CZ-CG 4.09Å; Y93-M95 HydrophobicContact CD2-CE 4.2Å; Y93-M95 HydrophobicContact CE2-CE 3.51Å; Y93-M95 HydrophobicContact CE2-CG 4.12Å; Y93-M95 HydrophobicContact CE2-SD 4.21Å; Y93-S169 CarbonylContact O-C 3.56Å; Y93-S169 WeakPolarHBondContact O-CA 3.38Å; Y93-A170 VanDerWaalsContact CD1-O 3.31Å; Y93-A170 WeakPolarHBondContact CD1-O 3.47Å; Y93-A170 HydrophobicContact CE1-CB 3.79Å; Y93-A170 HydrophobicContact CE2-CB 4.08Å; Y93-A170 PolarHBondContact N-O 2.59Å; Y93-A170 PolarHBondContact O-N 3.45Å; Y93-A170 WeakPolarHBondContact OH-CB 3.41Å; Y93-C172 HydrophobicContact CD1-CB 3.7Å; Y93-C172 HydrophobicContact CE1-CB 4.05Å; Y93-C186 HydrophobicContact CD1-CB 3.9Å; Y93-C186 HydrophobicContact CE1-CB 3.81Å; Y93-P187 VanDerWaalsContact OH-C 3.26Å; Y93-P187 PolarHBondContact OH-O 3.16Å; Y93-L188 WeakPolarHBondContact OH-CA 3.36Å; Y93-L188 WeakPolarHBondContact OH-CB 3.42Å; Y93-L188 PolarHBondContact OH-N 3.12Å
94	T	95.4	Very high	94.8	Very high	29 Å²	29	37.7 Å²	37.7	18%	0.178	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.1	176.7	53.6	0	0	0	0	111.1	G84 P85 I168	G84-T94 VanDerWaalsContact CA-O 3.3Å; G84-T94 WeakPolarHBondContact CA-O 3.25Å; G84-T94 PolarHBondContact N-O 2.97Å; P85-T94 WeakPolarHBondContact CD-OG1 3.39Å; P85-T94 WeakPolarHBondContact CG-OG1 3.26Å; P85-T94 PolarHBondContact O-N 2.71Å; P85-T94 PolarHBondContact O-OG1 3.47Å; T94-I168 WeakPolarHBondContact CA-O 3.19Å
95	M	94.9	Very high	95.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.2	171.3	52.5	167.3	57.7	0	0	111.4	S82 F83 Y93 V97 T167 I168 L188 F250	S82-M95 CarbonylContact O-C 3.56Å; S82-M95 VanDerWaalsContact O-CA 3.29Å; S82-M95 WeakPolarHBondContact O-CA 3.34Å; S82-M95 WeakPolarHBondContact O-CB 3.23Å; F83-M95 HydrophobicContact CD2-CE 3.88Å; F83-M95 HydrophobicContact CE2-CE 3.55Å; F83-M95 HydrophobicContact CZ-CE 4.38Å; Y93-M95 HydrophobicContact CD2-CE 4.2Å; Y93-M95 HydrophobicContact CE2-CE 3.51Å; Y93-M95 HydrophobicContact CE2-CG 4.12Å; Y93-M95 HydrophobicContact CE2-SD 4.21Å; M95-V97 HydrophobicContact CG-CG1 4.15Å; M95-V97 HydrophobicContact SD-CG1 3.64Å; M95-T167 CarbonylContact O-C 3.58Å; M95-T167 WeakPolarHBondContact O-CA 3.29Å; M95-I168 HydrophobicContact CG-CB 4.3Å; M95-I168 PolarHBondContact N-O 3.21Å; M95-I168 PolarHBondContact O-N 3.44Å; M95-L188 HydrophobicContact SD-CD2 3.95Å; M95-F250 HydrophobicContact CE-CD2 3.81Å; M95-F250 HydrophobicContact CE-CE1 4.11Å; M95-F250 HydrophobicContact CE-CE2 3.35Å; M95-F250 HydrophobicContact CE-CG 4.37Å; M95-F250 HydrophobicContact CE-CZ 3.51Å; M95-F250 HydrophobicContact SD-CE2 4.42Å; M95-F250 HydrophobicContact SD-CZ 4.47Å
96	D	95.4	Very high	95.1	Very high	28 Å²	28	41.6 Å²	41.6	15%	0.15	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.2	163.6	-69.6	-18.3	0	0	0	109.4	T81 S82 H143 R165 L166 T167	T81-D96 PolarHBondContact N-O 3.29Å; T81-D96 WeakPolarHBondContact OG1-CB 3.3Å; T81-D96 PolarHBondContact OG1-O 2.88Å; S82-D96 PolarHBondContact N-O 3.42Å; S82-D96 PolarHBondContact O-N 2.99Å; S82-D96 VanDerWaalsContact OG-CB 3.3Å; S82-D96 WeakPolarHBondContact OG-CB 3.47Å; S82-D96 PolarHBondContact OG-N 3.05Å; D96-H143 IonicContact OD1-NE2 3.81Å; D96-R165 IonicContact OD2-CZ 3.82Å; D96-R165 IonicContact OD2-NH2 3.25Å; D96-R165 PolarHBondContact OD2-NH2 3.17Å; D96-L166 CarbonylContact C-O 3.6Å; D96-L166 WeakPolarHBondContact CA-O 3.3Å; D96-T167 WeakPolarHBondContact OD1-CB 3.43Å; D96-T167 WeakPolarHBondContact OD1-CG2 3.29Å; D96-T167 PolarHBondContact OD1-OG1 3.37Å
97	V	96.2	Very high	95.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148	178.3	-56.6	0	0	0	0	111.9	I78 Y79 V80 M95 F99 R165 L166 I168	I78-V97 HydrophobicContact CG2-CB 4.17Å; I78-V97 HydrophobicContact CG2-CG1 4.09Å; Y79-V97 CarbonylContact O-C 3.59Å; Y79-V97 WeakPolarHBondContact O-CA 3.34Å; V80-V97 HydrophobicContact CG2-CG1 4.12Å; M95-V97 HydrophobicContact CG-CG1 4.15Å; M95-V97 HydrophobicContact SD-CG1 3.64Å; V97-F99 HydrophobicContact CG2-CB 4.28Å; V97-R165 WeakPolarHBondContact O-CA 3.24Å; V97-L166 HydrophobicContact CG2-CB 4.12Å; V97-L166 PolarHBondContact N-O 3.45Å; V97-L166 PolarHBondContact O-N 3.25Å; V97-I168 HydrophobicContact CG2-CD1 3.65Å; V97-I168 HydrophobicContact CG2-CG1 4.43Å
98	F	96.8	Very high	95.1	Very high	75 Å²	75	43.4 Å²	43.4	33%	0.329	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.6	151.2	-68.1	-67.1	0	0	0	108.3	Y79 T81 T163 M164 R165	Y79-F98 HydrophobicContact CD1-CD2 4.12Å; Y79-F98 PolarHBondContact N-O 3.43Å; Y79-F98 VanDerWaalsContact N-O 3.15Å; Y79-F98 PolarHBondContact O-N 2.88Å; T81-F98 HydrophobicContact CG2-CD2 3.42Å; T81-F98 VanDerWaalsContact CG2-CD2 3.42Å; T81-F98 HydrophobicContact CG2-CE2 3.37Å; T81-F98 HydrophobicContact CG2-CG 4.46Å; T81-F98 HydrophobicContact CG2-CZ 4.37Å; F98-T163 HydrophobicContact CB-CG2 4.39Å; F98-M164 WeakPolarHBondContact CA-O 3.22Å; F98-R165 HydrophobicContact CD1-CB 3.84Å; F98-R165 HydrophobicContact CD1-CG 4.05Å; F98-R165 HydrophobicContact CE1-CB 3.74Å; F98-R165 HydrophobicContact CE1-CG 3.83Å; F98-R165 HydrophobicContact CZ-CG 4.45Å
99	F	97.1	Very high	95.2	Very high	3 Å²	3	48 Å²	48	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.3	174.4	-169.8	-111.4	0	0	0	109	T76 I78 V97 Q101 T132 F134 T163 M164 L166 F190	T76-F99 HydrophobicContact CG2-CZ 4.28Å; I78-F99 HydrophobicContact CD1-CD2 4.09Å; I78-F99 HydrophobicContact CD1-CE2 4.04Å; I78-F99 HydrophobicContact CG1-CD2 3.93Å; I78-F99 HydrophobicContact CG1-CE2 4.14Å; V97-F99 HydrophobicContact CG2-CB 4.28Å; F99-Q101 HydrophobicContact CD1-CG 3.96Å; F99-Q101 VanDerWaalsContact CE1-CD 3.46Å; F99-Q101 HydrophobicContact CE1-CG 3.62Å; F99-Q101 HydrophobicContact CZ-CG 4.35Å; F99-T132 HydrophobicContact CE1-CG2 3.94Å; F99-T132 HydrophobicContact CZ-CG2 3.83Å; F99-F134 HydrophobicContact CD2-CZ 4.18Å; F99-F134 HydrophobicContact CE2-CE1 4.49Å; F99-F134 HydrophobicContact CE2-CZ 4.28Å; F99-F134 HydrophobicContact CG-CZ 4.39Å; F99-T163 WeakPolarHBondContact O-CA 3.36Å; F99-M164 HydrophobicContact CB-CG 4.02Å; F99-M164 HydrophobicContact CD1-CE 4.23Å; F99-M164 HydrophobicContact CD1-CG 4.42Å; F99-M164 HydrophobicContact CD1-SD 4.44Å; F99-M164 PolarHBondContact N-O 2.85Å; F99-M164 PolarHBondContact O-N 3.09Å; F99-L166 HydrophobicContact CB-CD1 4.21Å; F99-F190 HydrophobicContact CE2-CD1 4.36Å; F99-F190 HydrophobicContact CE2-CD2 4.06Å; F99-F190 HydrophobicContact CE2-CE1 4.19Å; F99-F190 AromaticContact CE2-CE2 3.87Å; F99-F190 HydrophobicContact CE2-CE2 3.87Å; F99-F190 HydrophobicContact CE2-CG 4.3Å; F99-F190 AromaticContact CE2-CZ 3.92Å; F99-F190 HydrophobicContact CE2-CZ 3.92Å; F99-F190 AromaticContact CZ-CD2 3.77Å; F99-F190 HydrophobicContact CZ-CD2 3.77Å; F99-F190 AromaticContact CZ-CE2 3.77Å; F99-F190 HydrophobicContact CZ-CE2 3.77Å; F99-F190 HydrophobicContact CZ-CG 4.31Å; F99-F190 HydrophobicContact CZ-CZ 4.31Å
100	R	97	Very high	95.2	Very high	69 Å²	69	44.7 Å²	44.7	26%	0.26	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.8	-176.8	-59.1	165	174.8	157.7	5.3	110.4	T76 D77 L161 Y162 T163	T76-R100 WeakPolarHBondContact CA-O 3.37Å; D77-R100 HydrophobicContact CB-CB 4.08Å; D77-R100 PolarHBondContact N-O 3.3Å; D77-R100 VanDerWaalsContact N-O 3.11Å; D77-R100 VanDerWaalsContact O-CB 3.32Å; D77-R100 WeakPolarHBondContact O-CB 3.49Å; D77-R100 PolarHBondContact O-N 3.39Å; D77-R100 WeakPolarHBondContact OD2-CD 3.4Å; D77-R100 IonicContact OD2-CZ 3.31Å; D77-R100 IonicContact OD2-NE 3.1Å; D77-R100 IonicContact OD2-NH1 2.77Å; D77-R100 PolarHBondContact OD2-NH1 3.48Å; R100-L161 HydrophobicContact CB-CD1 4.47Å; R100-Y162 WeakPolarHBondContact CA-O 3.47Å; R100-T163 HydrophobicContact CG-CG2 3.76Å
101	Q	97.5	Very high	95	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	132	-177.9	-50.9	-169.7	-89.1	0	0	109.7	V74 K75 T76 F99 W103 T132 Y162	V74-Q101 HydrophobicContact CG1-CB 4.2Å; K75-Q101 CarbonylContact O-C 3.57Å; K75-Q101 WeakPolarHBondContact O-CA 3.42Å; T76-Q101 HydrophobicContact CG2-CG 4.35Å; F99-Q101 HydrophobicContact CD1-CG 3.96Å; F99-Q101 VanDerWaalsContact CE1-CD 3.46Å; F99-Q101 HydrophobicContact CE1-CG 3.62Å; F99-Q101 HydrophobicContact CZ-CG 4.35Å; Q101-W103 HydrophobicContact CB-CE3 4.28Å; Q101-W103 HydrophobicContact CB-CZ3 4.02Å; Q101-T132 PolarHBondContact NE2-OG1 2.95Å; Q101-Y162 PolarHBondContact N-O 3.35Å; Q101-Y162 PolarHBondContact O-N 2.88Å
102	T	97.5	Very high	94.5	Very high	34 Å²	34	43.1 Å²	43.1	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.2	179.9	-50.6	0	0	0	0	109.9	K75 T159 I160	K75-T102 PolarHBondContact N-O 2.97Å; K75-T102 PolarHBondContact O-N 2.9Å; T102-T159 HydrophobicContact CG2-CG2 3.54Å; T102-I160 VanDerWaalsContact CA-O 3.24Å; T102-I160 WeakPolarHBondContact CA-O 3.21Å
103	W	97.3	Very high	93.9	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	173.6	174.1	68.3	94.2	0	0	0	110.2	E73 V74 Q101 W128 T129 P130 F152 T159 I160 Y162	E73-W103 WeakPolarHBondContact O-CB 3.39Å; V74-W103 HydrophobicContact CG2-CB 4.2Å; Q101-W103 HydrophobicContact CB-CE3 4.28Å; Q101-W103 HydrophobicContact CB-CZ3 4.02Å; W103-W128 AromaticContact CD1-CZ3 3.98Å; W103-W128 HydrophobicContact CD2-CZ3 4.35Å; W103-W128 HydrophobicContact CG-CZ3 4.34Å; W103-W128 HydrophobicContact CZ2-CE3 4.43Å; W103-W128 WeakPolarHBondContact CZ2-O 3.36Å; W103-W128 AromaticContact NE1-CE3 3.76Å; W103-W128 AromaticContact NE1-CZ3 3.75Å; W103-T129 HydrophobicContact CH2-CG2 4.15Å; W103-T129 HydrophobicContact CZ2-CG2 4.38Å; W103-P130 HydrophobicContact CE3-CG 4.07Å; W103-P130 VanDerWaalsContact CH2-CD 3.45Å; W103-P130 HydrophobicContact CH2-CG 4.36Å; W103-P130 VanDerWaalsContact CZ3-CD 3.46Å; W103-P130 HydrophobicContact CZ3-CG 3.88Å; W103-F152 HydrophobicContact CH2-CE2 4.17Å; W103-F152 HydrophobicContact CZ2-CE2 4.33Å; W103-T159 CarbonylContact O-C 3.59Å; W103-T159 WeakPolarHBondContact O-CA 3.49Å; W103-I160 HydrophobicContact CD2-CB 4.3Å; W103-I160 HydrophobicContact CD2-CG2 4.35Å; W103-I160 HydrophobicContact CE3-CG2 4.47Å; W103-I160 HydrophobicContact CH2-CG2 3.73Å; W103-I160 HydrophobicContact CZ2-CB 4.18Å; W103-I160 HydrophobicContact CZ2-CD1 4.17Å; W103-I160 HydrophobicContact CZ2-CG2 3.56Å; W103-I160 HydrophobicContact CZ3-CG2 4.19Å; W103-I160 PolarHBondContact N-O 3.08Å; W103-I160 VanDerWaalsContact N-O 3.13Å; W103-I160 PolarHBondContact O-N 3.28Å; W103-Y162 HydrophobicContact CH2-CD1 4.06Å; W103-Y162 HydrophobicContact CH2-CG 4.27Å; W103-Y162 HydrophobicContact CZ3-CD1 4.17Å; W103-Y162 HydrophobicContact CZ3-CG 4.41Å
104	I	96.8	Very high	93.4	Very high	96 Å²	96	49.3 Å²	49.3	49%	0.492	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.7	177.8	-56.4	176.5	0	0	0	108.7	P65	P65-I104 WeakPolarHBondContact CB-O 3.38Å
105	D	96.2	Very high	93.1	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	27%	0.269	C	S	.	.			trans	-115.6	105.8	166.6	-166	-12.1	0	0	0	110	Y59 P65 R107 L108 G158 I160	Y59-D105 WeakPolarHBondContact CE2-OD2 3.27Å; Y59-D105 PolarHBondContact OH-OD2 3.47Å; P65-D105 HydrophobicContact CB-CB 4.02Å; P65-D105 HydrophobicContact CG-CB 3.83Å; D105-R107 PolarHBondContact O-N 3Å; D105-R107 VanDerWaalsContact O-N 3.17Å; D105-R107 VanDerWaalsContact OD1-CB 3.3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.27Å; D105-R107 WeakPolarHBondContact OD1-CG 3.46Å; D105-R107 IonicContact OD1-CZ 3.74Å; D105-R107 PolarHBondContact OD1-N 3.44Å; D105-R107 VanDerWaalsContact OD1-N 3.09Å; D105-R107 IonicContact OD1-NE 2.89Å; D105-R107 PolarHBondContact OD1-NE 3.48Å; D105-R107 IonicContact OD1-NH2 3.2Å; D105-R107 IonicContact OD2-CZ 3.35Å; D105-R107 VanDerWaalsContact OD2-CZ 3.31Å; D105-R107 IonicContact OD2-NE 2.69Å; D105-R107 PolarHBondContact OD2-NE 3.37Å; D105-R107 VanDerWaalsContact OD2-NE 3.1Å; D105-R107 IonicContact OD2-NH2 3.74Å; D105-R107 PolarHBondContact OD2-NH2 2.94Å; D105-L108 HydrophobicContact CB-CD1 4.44Å; D105-L108 PolarHBondContact O-N 3.08Å; D105-G158 PolarHBondContact N-O 3.4Å; D105-G158 WeakPolarHBondContact O-CA 3.36Å; D105-I160 HydrophobicContact CB-CD1 3.73Å
106	K	93.9	Very high	92.9	Very high	179 Å²	179	57.3 Å²	57.3	78%	0.778	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-61.6	-23.2	-179.6	-63.1	-175.6	-178.9	-178.6	0	112.8	L108 K109	K106-L108 PolarHBondContact O-N 2.84Å; K106-K109 PolarHBondContact O-N 2.99Å
107	R	93.9	Very high	92.6	Very high	87 Å²	87	56.4 Å²	56.4	33%	0.328	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-66.6	-23	175	-60.2	174.9	-70.2	-179.4	-1.3	112.4	Y59 D60 L63 D105	Y59-R107 HydrophobicContact CD2-CB 3.93Å; Y59-R107 HydrophobicContact CE2-CB 3.82Å; Y59-R107 PolarHBondContact OH-NH2 3.44Å; Y59-R107 VanDerWaalsContact OH-NH2 3.09Å; D60-R107 PolarHBondContact O-NH1 3.32Å; L63-R107 PolarHBondContact O-NH1 2.93Å; L63-R107 VanDerWaalsContact O-NH1 3.17Å; L63-R107 PolarHBondContact O-NH2 3.47Å; D105-R107 PolarHBondContact O-N 3Å; D105-R107 VanDerWaalsContact O-N 3.17Å; D105-R107 VanDerWaalsContact OD1-CB 3.3Å; D105-R107 WeakPolarHBondContact OD1-CB 3.27Å; D105-R107 WeakPolarHBondContact OD1-CG 3.46Å; D105-R107 IonicContact OD1-CZ 3.74Å; D105-R107 PolarHBondContact OD1-N 3.44Å; D105-R107 VanDerWaalsContact OD1-N 3.09Å; D105-R107 IonicContact OD1-NE 2.89Å; D105-R107 PolarHBondContact OD1-NE 3.48Å; D105-R107 IonicContact OD1-NH2 3.2Å; D105-R107 IonicContact OD2-CZ 3.35Å; D105-R107 VanDerWaalsContact OD2-CZ 3.31Å; D105-R107 IonicContact OD2-NE 2.69Å; D105-R107 PolarHBondContact OD2-NE 3.37Å; D105-R107 VanDerWaalsContact OD2-NE 3.1Å; D105-R107 IonicContact OD2-NH2 3.74Å; D105-R107 PolarHBondContact OD2-NH2 2.94Å
108	L	93.4	Very high	92.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-105.5	23.6	-178.9	-67.5	167.6	0	0	0	112.5	L55 Y59 D105 K106 V127 I154 I160	L55-L108 HydrophobicContact CB-CD2 4.02Å; L55-L108 HydrophobicContact CD2-CB 4.19Å; L55-L108 HydrophobicContact CD2-CD2 3.84Å; L55-L108 WeakPolarHBondContact O-CD2 3.17Å; Y59-L108 HydrophobicContact CD2-CD1 4.43Å; Y59-L108 HydrophobicContact CD2-CD2 4.05Å; Y59-L108 HydrophobicContact CD2-CG 4.08Å; Y59-L108 HydrophobicContact CE2-CD1 3.68Å; Y59-L108 HydrophobicContact CE2-CD2 4.11Å; Y59-L108 HydrophobicContact CE2-CG 3.67Å; D105-L108 HydrophobicContact CB-CD1 4.44Å; D105-L108 PolarHBondContact O-N 3.08Å; K106-L108 PolarHBondContact O-N 2.84Å; L108-V127 HydrophobicContact CD1-CB 4.39Å; L108-V127 HydrophobicContact CD1-CG1 3.43Å; L108-V127 VanDerWaalsContact CD1-CG1 3.43Å; L108-V127 HydrophobicContact CD1-CG2 4Å; L108-I154 HydrophobicContact CB-CG2 4.23Å; L108-I154 WeakPolarHBondContact O-CG2 3.43Å; L108-I160 HydrophobicContact CD1-CD1 3.74Å
109	K	93.2	Very high	91.7	Very high	104 Å²	104	63.7 Å²	63.7	45%	0.452	31%	0.305	S	S	.	.			trans	-70.2	135.1	162.3	-168.8	-160.6	175.3	-109.6	0	108.8	K106 D111 R156	K106-K109 PolarHBondContact O-N 2.99Å; K109-D111 IonicContact NZ-OD1 3.75Å; K109-D111 PolarHBondContact NZ-OD1 2.97Å; K109-D111 IonicContact NZ-OD2 2.75Å; K109-D111 PolarHBondContact NZ-OD2 3.34Å; K109-R156 WeakPolarHBondContact CG-O 3.44Å
110	Y	90.5	Very high	91	Very high	15 Å²	15	68.8 Å²	68.8	6%	0.059	33%	0.333	C	S	.	.			trans	-130	160.9	169.3	59.4	-83.8	0	0	0	109.3	I51 L55 I114 E115 I116 L117 I154 R156	I51-Y110 HydrophobicContact CG2-CD2 4.15Å; I51-Y110 HydrophobicContact CG2-CG 4.09Å; L55-Y110 HydrophobicContact CD1-CD1 4.02Å; L55-Y110 HydrophobicContact CD1-CG 4.31Å; L55-Y110 HydrophobicContact CD2-CD1 4.37Å; Y110-I114 WeakPolarHBondContact CE2-O 3.21Å; Y110-E115 VanDerWaalsContact OH-C 3.27Å; Y110-E115 PolarHBondContact OH-O 3.5Å; Y110-E115 VanDerWaalsContact OH-O 3.1Å; Y110-I116 PolarHBondContact OH-N 3.12Å; Y110-L117 HydrophobicContact CD1-CD1 3.78Å; Y110-L117 HydrophobicContact CD2-CD1 4.3Å; Y110-L117 HydrophobicContact CE1-CD1 3.52Å; Y110-L117 HydrophobicContact CE1-CG 3.93Å; Y110-L117 HydrophobicContact CE2-CD1 4.08Å; Y110-L117 HydrophobicContact CE2-CG 4.09Å; Y110-L117 HydrophobicContact CG-CD1 4.17Å; Y110-L117 PolarHBondContact OH-N 3.3Å; Y110-I154 HydrophobicContact CD1-CG2 4.38Å; Y110-I154 HydrophobicContact CE1-CB 4.35Å; Y110-I154 HydrophobicContact CE1-CG2 4.02Å; Y110-I154 PolarHBondContact OH-O 3.42Å; Y110-R156 HydrophobicContact CD2-CG 4.28Å; Y110-R156 HydrophobicContact CE2-CB 4.18Å; Y110-R156 HydrophobicContact CE2-CG 4.07Å; Y110-R156 PolarHBondContact N-O 2.74Å; Y110-R156 WeakPolarHBondContact O-CG 3.47Å; Y110-R156 PolarHBondContact OH-N 2.89Å
111	D	87.5	Confident	90.2	Very high	114 Å²	114	67 Å²	67	61%	0.61	33%	0.328	S	S	*	.			trans	-118.7	140.1	168.1	-64.4	-68.7	0	0	0	108.9	K109	K109-D111 IonicContact NZ-OD1 3.75Å; K109-D111 PolarHBondContact NZ-OD1 2.97Å; K109-D111 IonicContact NZ-OD2 2.75Å; K109-D111 PolarHBondContact NZ-OD2 3.34Å
112	G	83	Confident	89.4	Confident	27 Å²	27	73.8 Å²	73.8	28%	0.278	36%	0.362	S	S	.	.	S	Bend	trans	162.9	175.2	-171.3	0	0	0	0	0	112.1	I114 R156	G112-I114 PolarHBondContact O-N 3.18Å; G112-R156 PolarHBondContact O-NE 3.33Å; G112-R156 VanDerWaalsContact O-NE 3.11Å; G112-R156 PolarHBondContact O-NH2 3.32Å
113	P	83.1	Confident	88.7	Confident	104 Å²	104	73 Å²	73	68%	0.675	36%	0.356	S	S	*	.	S	Bend	trans	-71.7	-30.2	-171.6	27.3	-34.7	0	0	0	113.8	R156	P113-R156 PolarHBondContact O-NH2 2.97Å
114	I	84.7	Confident	88.1	Confident	61 Å²	61	73.4 Å²	73.4	31%	0.313	36%	0.359	S	S	.	.			trans	-77.4	142.8	179.1	-75.4	-171.9	0	0	0	111.4	F48 Y110 G112 I116 L117 R156	F48-I114 HydrophobicContact CD1-CD1 4.19Å; F48-I114 HydrophobicContact CE1-CB 4.39Å; F48-I114 HydrophobicContact CE1-CD1 3.37Å; F48-I114 HydrophobicContact CE1-CG1 3.73Å; F48-I114 HydrophobicContact CE2-CD1 4.16Å; F48-I114 HydrophobicContact CZ-CD1 3.36Å; F48-I114 HydrophobicContact CZ-CG1 3.91Å; Y110-I114 WeakPolarHBondContact CE2-O 3.21Å; G112-I114 PolarHBondContact O-N 3.18Å; I114-I116 VanDerWaalsContact CG2-C 3.43Å; I114-I116 WeakPolarHBondContact CG2-O 3.42Å; I114-L117 HydrophobicContact CG2-CD2 4.31Å; I114-R156 VanDerWaalsContact C-NH2 3.29Å; I114-R156 PolarHBondContact O-NE 3.02Å; I114-R156 VanDerWaalsContact O-NE 3.08Å; I114-R156 PolarHBondContact O-NH2 3.43Å
115	E	88.7	Confident	87.6	Confident	139 Å²	139	74 Å²	74	65%	0.65	37%	0.367	S	S	*	.	S	Bend	trans	-89.7	-31	174.7	-63.4	-174	153.2	0	0	113.5	Y110 M155 R156	Y110-E115 VanDerWaalsContact OH-C 3.27Å; Y110-E115 PolarHBondContact OH-O 3.5Å; Y110-E115 VanDerWaalsContact OH-O 3.1Å; E115-M155 CarbonylContact O-C 3.56Å; E115-M155 VanDerWaalsContact O-CA 3.31Å; E115-M155 WeakPolarHBondContact O-CA 3.48Å; E115-R156 PolarHBondContact O-N 3.4Å
116	I	91.2	Very high	87.3	Confident	60 Å²	60	79.5 Å²	79.5	31%	0.308	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	105	-175.4	-50.4	-178.7	0	0	0	110	Y110 I114 R153 I154 M155	Y110-I116 PolarHBondContact OH-N 3.12Å; I114-I116 VanDerWaalsContact CG2-C 3.43Å; I114-I116 WeakPolarHBondContact CG2-O 3.42Å; I116-R153 HydrophobicContact CG2-CB 3.85Å; I116-R153 HydrophobicContact CG2-CG 4.21Å; I116-I154 CarbonylContact C-O 3.58Å; I116-I154 WeakPolarHBondContact CA-O 3.23Å; I116-M155 HydrophobicContact CG1-CG 4.26Å
117	L	89.2	Confident	87.2	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.052	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.5	167.8	-68.5	170.4	0	0	0	109.4	I51 L52 L55 Y110 I114 L119 R153 I154	I51-L117 HydrophobicContact CG2-CD1 4.04Å; L52-L117 HydrophobicContact CD2-CD1 4.04Å; L55-L117 HydrophobicContact CD1-CD1 3.7Å; Y110-L117 HydrophobicContact CD1-CD1 3.78Å; Y110-L117 HydrophobicContact CD2-CD1 4.3Å; Y110-L117 HydrophobicContact CE1-CD1 3.52Å; Y110-L117 HydrophobicContact CE1-CG 3.93Å; Y110-L117 HydrophobicContact CE2-CD1 4.08Å; Y110-L117 HydrophobicContact CE2-CG 4.09Å; Y110-L117 HydrophobicContact CG-CD1 4.17Å; Y110-L117 PolarHBondContact OH-N 3.3Å; I114-L117 HydrophobicContact CG2-CD2 4.31Å; L117-L119 HydrophobicContact CB-CD1 4.48Å; L117-L119 HydrophobicContact CB-CD2 4.11Å; L117-L119 HydrophobicContact CB-CG 4.25Å; L117-R153 VanDerWaalsContact O-CA 3.23Å; L117-R153 WeakPolarHBondContact O-CA 3.4Å; L117-I154 HydrophobicContact CB-CB 4.46Å; L117-I154 PolarHBondContact N-O 3.39Å; L117-I154 PolarHBondContact O-N 3.07Å
118	R	89.4	Confident	87.3	Confident	200 Å²	200	67.4 Å²	67.4	76%	0.755	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.7	-180	-60	176.1	-175.4	175.6	2.2	108.4	R153	R118-R153 HydrophobicContact CG-CG 4.4Å
119	L	84.6	Confident	87.4	Confident	28 Å²	28	69.4 Å²	69.4	15%	0.147	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147	-162.1	-56.7	-177.5	0	0	0	113.1	L52 L117 M123 F152 I154	L52-L119 HydrophobicContact CD1-CD2 4.18Å; L52-L119 HydrophobicContact CD2-CD1 3.94Å; L52-L119 HydrophobicContact CD2-CD2 3.56Å; L52-L119 HydrophobicContact CD2-CG 4.44Å; L117-L119 HydrophobicContact CB-CD1 4.48Å; L117-L119 HydrophobicContact CB-CD2 4.11Å; L117-L119 HydrophobicContact CB-CG 4.25Å; L119-M123 HydrophobicContact CB-CB 4.06Å; L119-M123 HydrophobicContact CB-CG 4.43Å; L119-M123 HydrophobicContact CD1-CB 4.24Å; L119-M123 HydrophobicContact CD1-CE 4.18Å; L119-M123 HydrophobicContact CD1-CG 3.68Å; L119-M123 HydrophobicContact CD1-SD 4.21Å; L119-F152 HydrophobicContact CD1-CD1 4.41Å; L119-F152 PolarHBondContact N-O 2.83Å; L119-I154 HydrophobicContact CD1-CD1 3.63Å; L119-I154 HydrophobicContact CD1-CG1 3.94Å
120	N	82.5	Confident	87.5	Confident	110 Å²	110	64.9 Å²	64.9	59%	0.588	33%	0.334	S	S	*	.			trans	-71.7	158.5	174.6	-167.6	3.3	0	0	0	110.5	M122 M123	N120-M122 PolarHBondContact O-N 3.35Å; N120-M123 PolarHBondContact O-N 3.06Å
121	N	81.2	Confident	87.8	Confident	31 Å²	31	66.3 Å²	66.3	17%	0.166	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-53.4	-25	-176.3	-67	-45.6	0	0	0	114.7	M123 V124 P148 K150	N121-M123 PolarHBondContact O-N 2.68Å; N121-V124 WeakPolarHBondContact O-CB 3.4Å; N121-V124 PolarHBondContact O-N 2.95Å; N121-V124 VanDerWaalsContact O-N 3.09Å; N121-P148 HydrophobicContact CB-CB 4.36Å; N121-P148 PolarHBondContact ND2-O 3.11Å; N121-K150 VanDerWaalsContact OD1-CB 3.27Å; N121-K150 WeakPolarHBondContact OD1-CB 3.42Å; N121-K150 PolarHBondContact OD1-O 3.41Å
122	M	80.6	Confident	88.2	Confident	145 Å²	145	62.2 Å²	62.2	71%	0.714	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.7	175.7	-63.6	178.2	70.7	0	0	114.1	N120 T125	N120-M122 PolarHBondContact O-N 3.35Å; M122-T125 PolarHBondContact O-OG1 2.98Å
123	M	82	Confident	88.9	Confident	18 Å²	18	64.2 Å²	64.2	9%	0.089	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-74.7	-33.2	172.4	-166	72.7	171	0	0	111.8	L56 L119 N120 N121 T125 K126 V127 F152 I154	L56-M123 HydrophobicContact CD1-CE 4.14Å; L56-M123 HydrophobicContact CD1-SD 3.97Å; L56-M123 HydrophobicContact CD2-CE 3.68Å; L56-M123 HydrophobicContact CD2-SD 4.17Å; L56-M123 HydrophobicContact CG-CE 3.84Å; L56-M123 HydrophobicContact CG-SD 4.31Å; L119-M123 HydrophobicContact CB-CB 4.06Å; L119-M123 HydrophobicContact CB-CG 4.43Å; L119-M123 HydrophobicContact CD1-CB 4.24Å; L119-M123 HydrophobicContact CD1-CE 4.18Å; L119-M123 HydrophobicContact CD1-CG 3.68Å; L119-M123 HydrophobicContact CD1-SD 4.21Å; N120-M123 PolarHBondContact O-N 3.06Å; N121-M123 PolarHBondContact O-N 2.68Å; M123-T125 PolarHBondContact O-N 3.33Å; M123-K126 PolarHBondContact O-N 3.42Å; M123-V127 HydrophobicContact CE-CG2 3.88Å; M123-V127 HydrophobicContact CG-CG2 3.96Å; M123-V127 PolarHBondContact O-N 3.3Å; M123-V127 HydrophobicContact SD-CG2 4.39Å; M123-F152 HydrophobicContact CG-CD1 4.26Å; M123-F152 HydrophobicContact CG-CE1 4.34Å; M123-I154 HydrophobicContact CE-CD1 4.15Å
124	V	84.1	Confident	89.5	Confident	10 Å²	10	60.5 Å²	60.5	6%	0.061	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.1	-172.6	-174.9	0	0	0	0	112	N121 T129 F152 Y162	N121-V124 WeakPolarHBondContact O-CB 3.4Å; N121-V124 PolarHBondContact O-N 2.95Å; N121-V124 VanDerWaalsContact O-N 3.09Å; V124-T129 HydrophobicContact CG1-CG2 4.18Å; V124-F152 HydrophobicContact CG2-CB 3.76Å; V124-F152 HydrophobicContact CG2-CD2 3.93Å; V124-F152 HydrophobicContact CG2-CG 4Å; V124-Y162 HydrophobicContact CG1-CD2 4.47Å; V124-Y162 HydrophobicContact CG1-CE2 3.65Å; V124-Y162 HydrophobicContact CG2-CE2 4.33Å
125	T	86	Confident	90.1	Very high	108 Å²	108	61.5 Å²	61.5	66%	0.663	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.8	176.3	52.7	0	0	0	0	113.7	N61 M122 M123	N61-T125 PolarHBondContact ND2-O 3.23Å; M122-T125 PolarHBondContact O-OG1 2.98Å; M123-T125 PolarHBondContact O-N 3.33Å
126	K	90.1	Very high	90.4	Very high	119 Å²	119	56 Å²	56	52%	0.517	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-16.5	178.2	-68.5	-167.1	177.3	-172.9	0	113.8	L56 N61 M123	L56-K126 HydrophobicContact CD1-CD 3.58Å; L56-K126 HydrophobicContact CD2-CB 3.91Å; L56-K126 HydrophobicContact CD2-CD 4.27Å; N61-K126 WeakPolarHBondContact CB-O 3.42Å; M123-K126 PolarHBondContact O-N 3.42Å
127	V	93	Very high	90.6	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.03	27%	0.272	C	S	.	.	S	Bend	trans	-105.8	149	-177	176.2	0	0	0	0	110.2	L56 Y59 L108 M123 T129 F152 I160	L56-V127 HydrophobicContact CD2-CG2 4.44Å; Y59-V127 HydrophobicContact CE1-CB 4.49Å; Y59-V127 HydrophobicContact CE1-CG1 4.43Å; L108-V127 HydrophobicContact CD1-CB 4.39Å; L108-V127 HydrophobicContact CD1-CG1 3.43Å; L108-V127 VanDerWaalsContact CD1-CG1 3.43Å; L108-V127 HydrophobicContact CD1-CG2 4Å; M123-V127 HydrophobicContact CE-CG2 3.88Å; M123-V127 HydrophobicContact CG-CG2 3.96Å; M123-V127 PolarHBondContact O-N 3.3Å; M123-V127 HydrophobicContact SD-CG2 4.39Å; V127-T129 PolarHBondContact O-N 3.33Å; V127-F152 HydrophobicContact CB-CE1 4.45Å; V127-F152 HydrophobicContact CB-CZ 4.04Å; V127-F152 HydrophobicContact CG1-CE1 4.33Å; V127-F152 HydrophobicContact CG1-CZ 3.68Å; V127-F152 HydrophobicContact CG2-CE1 4.33Å; V127-F152 HydrophobicContact CG2-CZ 4.4Å; V127-I160 HydrophobicContact CG1-CD1 4.36Å
128	W	95.6	Very high	90.8	Very high	7 Å²	7	58.2 Å²	58.2	3%	0.027	29%	0.287	C	S	.	.			trans	-64.4	132.7	171.5	177.2	93.9	0	0	0	109.6	Y59 R64 P65 T72 W103 P130 Y195 M200	Y59-W128 WeakPolarHBondContact OH-CB 3.34Å; Y59-W128 PolarHBondContact OH-N 3.48Å; Y59-W128 VanDerWaalsContact OH-N 3.14Å; R64-W128 HydrophobicContact CB-CZ2 3.81Å; P65-W128 VanDerWaalsContact CD-CD2 3.5Å; P65-W128 HydrophobicContact CG-CD2 4.33Å; P65-W128 HydrophobicContact CG-CE3 3.7Å; P65-W128 HydrophobicContact CG-CZ3 3.9Å; T72-W128 HydrophobicContact CG2-CH2 4.02Å; T72-W128 HydrophobicContact CG2-CZ3 4.21Å; W103-W128 AromaticContact CD1-CZ3 3.98Å; W103-W128 HydrophobicContact CD2-CZ3 4.35Å; W103-W128 HydrophobicContact CG-CZ3 4.34Å; W103-W128 HydrophobicContact CZ2-CE3 4.43Å; W103-W128 WeakPolarHBondContact CZ2-O 3.36Å; W103-W128 AromaticContact NE1-CE3 3.76Å; W103-W128 AromaticContact NE1-CZ3 3.75Å; W128-P130 HydrophobicContact CH2-CB 3.99Å; W128-P130 HydrophobicContact CZ3-CB 4.38Å; W128-Y195 HydrophobicContact CZ2-CD2 4.4Å; W128-Y195 AromaticContact CZ2-CE2 3.83Å; W128-Y195 HydrophobicContact CZ2-CE2 3.83Å; W128-Y195 AromaticContact NE1-CE2 3.91Å; W128-Y195 AromaticContact NE1-CZ 3.67Å; W128-Y195 PolarHBondContact NE1-OH 3Å; W128-M200 HydrophobicContact CH2-SD 3.63Å; W128-M200 HydrophobicContact CZ2-SD 4.03Å
129	T	94.9	Very high	91	Very high	43 Å²	43	55.7 Å²	55.7	26%	0.264	28%	0.281	S	S	.	.			trans	-128.2	143.9	173.6	60.1	0	0	0	0	110.1	W103 V124 V127 D131 F152 Y162	W103-T129 HydrophobicContact CH2-CG2 4.15Å; W103-T129 HydrophobicContact CZ2-CG2 4.38Å; V124-T129 HydrophobicContact CG1-CG2 4.18Å; V127-T129 PolarHBondContact O-N 3.33Å; T129-D131 PolarHBondContact O-N 2.65Å; T129-F152 HydrophobicContact CG2-CE2 4.43Å; T129-Y162 HydrophobicContact CG2-CD1 4.41Å; T129-Y162 HydrophobicContact CG2-CE1 4.21Å
130	P	96.6	Very high	91.4	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.052	29%	0.294	C	S	.	.			trans	-60.3	139	177.6	26.8	-35.3	0	0	0	111.3	V74 W103 W128 T132 M200	V74-P130 HydrophobicContact CG1-CB 4.47Å; V74-P130 HydrophobicContact CG1-CG 4.13Å; V74-P130 HydrophobicContact CG2-CB 4.18Å; V74-P130 HydrophobicContact CG2-CG 4.46Å; W103-P130 HydrophobicContact CE3-CG 4.07Å; W103-P130 VanDerWaalsContact CH2-CD 3.45Å; W103-P130 HydrophobicContact CH2-CG 4.36Å; W103-P130 VanDerWaalsContact CZ3-CD 3.46Å; W103-P130 HydrophobicContact CZ3-CG 3.88Å; W128-P130 HydrophobicContact CH2-CB 3.99Å; W128-P130 HydrophobicContact CZ3-CB 4.38Å; P130-T132 PolarHBondContact O-N 3.17Å; P130-M200 HydrophobicContact CB-CE 4.07Å; P130-M200 HydrophobicContact CB-SD 3.89Å
131	D	95.7	Very high	92	Very high	45 Å²	45	56 Å²	56	24%	0.241	29%	0.291	C	S	.	.			trans	-80.4	42.5	-174.3	68	-26.1	0	0	0	113	T129 F133 S192 Y193 A194 M200	T129-D131 PolarHBondContact O-N 2.65Å; D131-F133 PolarHBondContact O-N 3.29Å; D131-S192 WeakPolarHBondContact OD1-CA 3.34Å; D131-S192 WeakPolarHBondContact OD1-CB 3.5Å; D131-S192 PolarHBondContact OD1-OG 3.01Å; D131-S192 PolarHBondContact OD2-OG 2.71Å; D131-Y193 WeakPolarHBondContact OD2-CA 3.36Å; D131-Y193 WeakPolarHBondContact OD2-CB 3.43Å; D131-Y193 PolarHBondContact OD2-N 3.47Å; D131-A194 PolarHBondContact OD2-N 3.13Å; D131-M200 WeakPolarHBondContact OD1-CE 3.22Å
132	T	97	Very high	92.6	Very high	29 Å²	29	56.9 Å²	56.9	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.9	-168.7	-46.3	0	0	0	0	112	F99 Q101 P130 F190 G191 Y202	F99-T132 HydrophobicContact CE1-CG2 3.94Å; F99-T132 HydrophobicContact CZ-CG2 3.83Å; Q101-T132 PolarHBondContact NE2-OG1 2.95Å; P130-T132 PolarHBondContact O-N 3.17Å; T132-F190 HydrophobicContact CG2-CB 4.23Å; T132-F190 HydrophobicContact CG2-CD2 3.77Å; T132-F190 HydrophobicContact CG2-CG 4.43Å; T132-G191 WeakPolarHBondContact CA-O 3.25Å; T132-Y202 HydrophobicContact CG2-CE1 4.06Å; T132-Y202 WeakPolarHBondContact OG1-CE1 3.19Å; T132-Y202 PolarHBondContact OG1-OH 3.03Å
133	F	96.5	Very high	93.2	Very high	68 Å²	68	51.8 Å²	51.8	30%	0.298	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.4	176.9	84.5	-72	0	0	0	111.8	D131 R135 F190 G191 S192 Y193	D131-F133 PolarHBondContact O-N 3.29Å; F133-R135 HydrophobicContact CD2-CG 4.42Å; F133-R135 HydrophobicContact CE1-CG 4.05Å; F133-R135 HydrophobicContact CE2-CB 4.4Å; F133-R135 HydrophobicContact CE2-CG 3.66Å; F133-R135 HydrophobicContact CZ-CG 3.45Å; F133-R135 VanDerWaalsContact CZ-CG 3.45Å; F133-F190 VanDerWaalsContact O-CA 3.25Å; F133-F190 WeakPolarHBondContact O-CA 3.18Å; F133-F190 WeakPolarHBondContact O-CB 3.49Å; F133-G191 WeakPolarHBondContact CD1-O 3.42Å; F133-G191 PolarHBondContact N-O 2.88Å; F133-G191 PolarHBondContact O-N 3.28Å; F133-G191 VanDerWaalsContact O-N 3.15Å; F133-S192 WeakPolarHBondContact CE1-O 2.94Å; F133-Y193 HydrophobicContact CD1-CD2 4.16Å; F133-Y193 HydrophobicContact CD1-CG 4.47Å; F133-Y193 AromaticContact CE1-CD2 3.96Å; F133-Y193 HydrophobicContact CE1-CD2 3.96Å; F133-Y193 HydrophobicContact CE1-CG 4.45Å; F133-Y193 HydrophobicContact CE2-CD2 4.38Å; F133-Y193 HydrophobicContact CG-CD2 4.46Å; F133-Y193 HydrophobicContact CZ-CD2 4.06Å
134	F	96.9	Very high	93.7	Very high	26 Å²	26	56.4 Å²	56.4	11%	0.114	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.1	176.1	-62.9	-81.3	0	0	0	109.4	F99 N136 G137 L166 I168 L188 K189 F190	F99-F134 HydrophobicContact CD2-CZ 4.18Å; F99-F134 HydrophobicContact CE2-CE1 4.49Å; F99-F134 HydrophobicContact CE2-CZ 4.28Å; F99-F134 HydrophobicContact CG-CZ 4.39Å; F134-N136 PolarHBondContact O-N 3.36Å; F134-G137 PolarHBondContact O-N 3.15Å; F134-L166 HydrophobicContact CE2-CD1 3.6Å; F134-L166 HydrophobicContact CZ-CD1 3.96Å; F134-I168 HydrophobicContact CD1-CD1 4.09Å; F134-I168 HydrophobicContact CD2-CD1 4.25Å; F134-I168 HydrophobicContact CE1-CD1 3.62Å; F134-I168 HydrophobicContact CE2-CD1 3.81Å; F134-I168 HydrophobicContact CE2-CG1 4.36Å; F134-I168 HydrophobicContact CG-CD1 4.4Å; F134-I168 HydrophobicContact CG-CG2 4.44Å; F134-I168 HydrophobicContact CZ-CD1 3.48Å; F134-I168 VanDerWaalsContact CZ-CD1 3.48Å; F134-I168 HydrophobicContact CZ-CG1 4.48Å; F134-L188 HydrophobicContact CD1-CD1 3.71Å; F134-L188 HydrophobicContact CD1-CG 4.17Å; F134-L188 HydrophobicContact CE1-CD1 4.13Å; F134-L188 HydrophobicContact CE1-CD2 4.33Å; F134-L188 HydrophobicContact CE1-CG 4.32Å; F134-K189 CarbonylContact C-O 3.58Å; F134-K189 VanDerWaalsContact CA-O 3.31Å; F134-K189 WeakPolarHBondContact CA-O 3.42Å; F134-F190 HydrophobicContact CD1-CB 3.75Å; F134-F190 HydrophobicContact CE1-CB 3.86Å; F134-F190 HydrophobicContact CE1-CD1 4.23Å; F134-F190 HydrophobicContact CE1-CG 4.25Å; F134-F190 HydrophobicContact CG-CB 4.49Å
135	R	95.5	Very high	94	Very high	82 Å²	82	62.8 Å²	62.8	31%	0.309	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.1	-173.6	-80.1	-175.4	171.4	-139.3	-1.8	113.9	F133 K189	F133-R135 HydrophobicContact CD2-CG 4.42Å; F133-R135 HydrophobicContact CE1-CG 4.05Å; F133-R135 HydrophobicContact CE2-CB 4.4Å; F133-R135 HydrophobicContact CE2-CG 3.66Å; F133-R135 HydrophobicContact CZ-CG 3.45Å; F133-R135 VanDerWaalsContact CZ-CG 3.45Å; R135-K189 HydrophobicContact CB-CB 4.11Å; R135-K189 PolarHBondContact N-O 3.09Å
136	N	96.5	Very high	94.2	Very high	24 Å²	24	64.3 Å²	64.3	13%	0.128	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	19	172.6	68.6	-47.7	0	0	0	112.8	F134 K138 A170 E171 P187 K189	F134-N136 PolarHBondContact O-N 3.36Å; N136-K138 PolarHBondContact O-N 3.29Å; N136-A170 CarbonylContact O-C 3.49Å; N136-A170 VanDerWaalsContact O-CA 3.3Å; N136-A170 WeakPolarHBondContact O-CA 3.37Å; N136-E171 HydrophobicContact CB-CB 4.34Å; N136-E171 PolarHBondContact ND2-O 2.84Å; N136-E171 PolarHBondContact O-N 3.04Å; N136-P187 PolarHBondContact ND2-O 3.29Å; N136-K189 PolarHBondContact OD1-N 3.36Å
137	G	94.8	Very high	94.1	Very high	30 Å²	30	61 Å²	61	31%	0.309	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	110.2	174.8	0	0	0	0	0	111.3	F134 S169	F134-G137 PolarHBondContact O-N 3.15Å; G137-S169 CarbonylContact C-O 3.59Å
138	K	93.8	Very high	94	Very high	86 Å²	86	63.8 Å²	63.8	37%	0.374	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-42.5	174.2	-75.3	177.5	169.7	180	0	111.6	E90 E92 N136 S169 E171	E90-K138 PolarHBondContact O-NZ 3.32Å; E92-K138 HydrophobicContact CB-CD 4.15Å; E92-K138 WeakPolarHBondContact OE2-CD 3.34Å; N136-K138 PolarHBondContact O-N 3.29Å; K138-S169 PolarHBondContact N-O 3.47Å; K138-E171 HydrophobicContact CD-CB 4.28Å; K138-E171 HydrophobicContact CG-CB 4.31Å
139	K	93	Very high	93.8	Very high	147 Å²	147	66.1 Å²	66.1	64%	0.639	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.5	175.4	-63	173.1	-172.9	156.5	0	108.1	S169	K139-S169 PolarHBondContact N-O 2.99Å; K139-S169 WeakPolarHBondContact O-CA 3.48Å; K139-S169 WeakPolarHBondContact O-CB 3.43Å; K139-S169 PolarHBondContact O-N 3.23Å; K139-S169 VanDerWaalsContact O-O 3.1Å
140	S	92.8	Very high	93.7	Very high	60 Å²	60	67.5 Å²	67.5	42%	0.42	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	140.1	175.7	-65.3	0	0	0	0	110	T167	S140-T167 CarbonylContact C-O 3.53Å; S140-T167 WeakPolarHBondContact CA-O 3.42Å
141	V	95.1	Very high	93.4	Very high	84 Å²	84	70.1 Å²	70.1	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115	-173.5	-177.6	0	0	0	0	109.1	L166 T167	V141-L166 WeakPolarHBondContact O-CA 3.26Å; V141-T167 PolarHBondContact N-O 3.36Å; V141-T167 PolarHBondContact O-N 2.97Å
142	S	94.3	Very high	93.2	Very high	50 Å²	50	68 Å²	68	35%	0.35	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.6	162.8	176.4	0	0	0	0	108.2
143	H	94.2	Very high	93	Very high	39 Å²	39	70.8 Å²	70.8	18%	0.181	38%	0.377	C	S	.	.			trans	-65.6	147.5	178.3	-52.4	-90.5	0	0	0	111	D96 N149 R165 T167	D96-H143 IonicContact OD1-NE2 3.81Å; H143-N149 HydrophobicContact CB-CB 4.02Å; H143-N149 WeakPolarHBondContact CB-OD1 3.44Å; H143-N149 PolarHBondContact O-N 3.4Å; H143-N149 PolarHBondContact O-OD1 3.49Å; H143-N149 VanDerWaalsContact O-OD1 3.09Å; H143-R165 WeakPolarHBondContact CD2-CD 3.33Å; H143-R165 VanDerWaalsContact CD2-CG 3.42Å; H143-R165 WeakPolarHBondContact CD2-CG 3.37Å; H143-R165 PolarHBondContact CD2-NE 3.19Å; H143-R165 PolarHBondContact CD2-O 3.37Å; H143-R165 PolarHBondContact N-O 3.22Å; H143-R165 PolarHBondContact NE2-NE 3.12Å; H143-T167 PolarHBondContact CE1-OG1 3.25Å; H143-T167 PolarHBondContact NE2-OG1 3.42Å
144	N	92.4	Very high	92.9	Very high	114 Å²	114	67.5 Å²	67.5	61%	0.61	36%	0.362	S	S	*	.			trans	-136.8	22.5	-176.3	65.8	-13.6	0	0	0	114.3	A147 N149	N144-A147 VanDerWaalsContact C-C 3.49Å; N144-A147 CarbonylContact C-O 3.52Å; N144-A147 CarbonylContact O-C 3.4Å; N144-A147 PolarHBondContact O-N 3.32Å; N144-N149 PolarHBondContact N-OD1 2.99Å; N144-N149 VanDerWaalsContact N-OD1 3.13Å
145	M	89.3	Confident	92.8	Very high	145 Å²	145	69.8 Å²	69.8	71%	0.714	37%	0.374	S	S	*	.	S	Bend	trans	-120.3	126.3	-172.1	-172.9	62	66.6	0	0	110.7	A147 N149	M145-A147 VanDerWaalsContact C-N 3.28Å; M145-A147 PolarHBondContact N-O 3.45Å; M145-N149 PolarHBondContact N-OD1 3.01Å; M145-N149 PolarHBondContact O-ND2 3.04Å; M145-N149 PolarHBondContact O-OD1 3.4Å
146	T	90	Very high	92.6	Very high	139 Å²	139	70 Å²	70	85%	0.853	38%	0.375	S	S	*	.	S	Bend	cis	-76.9	-7.5	-7.7	48.9	0	0	0	0	114.1
147	A	88.2	Confident	92.5	Very high	50 Å²	50	73.1 Å²	73.1	41%	0.413	39%	0.392	S	S	.	.	S	Bend	trans	-141.2	165.5	173.2	0	0	0	0	0	108.7	N144 M145 N149	N144-A147 VanDerWaalsContact C-C 3.49Å; N144-A147 CarbonylContact C-O 3.52Å; N144-A147 CarbonylContact O-C 3.4Å; N144-A147 PolarHBondContact O-N 3.32Å; M145-A147 VanDerWaalsContact C-N 3.28Å; M145-A147 PolarHBondContact N-O 3.45Å; A147-N149 PolarHBondContact O-N 3.08Å; A147-N149 VanDerWaalsContact O-N 3.09Å; A147-N149 PolarHBondContact O-OD1 2.99Å
148	P	91.2	Very high	92.5	Very high	64 Å²	64	71.7 Å²	71.7	42%	0.416	38%	0.377	S	S	.	.			trans	-47.4	119.7	174.4	-27.8	35.5	0	0	0	111.6	N121 K150	N121-P148 HydrophobicContact CB-CB 4.36Å; N121-P148 PolarHBondContact ND2-O 3.11Å; P148-K150 PolarHBondContact O-N 3.2Å
149	N	91.9	Very high	92.6	Very high	55 Å²	55	68.5 Å²	68.5	29%	0.294	37%	0.365	S	S	.	.			trans	-80.5	54.9	-174.8	-60.8	92.7	0	0	0	110.7	H143 N144 M145 A147 M164 R165	H143-N149 HydrophobicContact CB-CB 4.02Å; H143-N149 WeakPolarHBondContact CB-OD1 3.44Å; H143-N149 PolarHBondContact O-N 3.4Å; H143-N149 PolarHBondContact O-OD1 3.49Å; H143-N149 VanDerWaalsContact O-OD1 3.09Å; N144-N149 PolarHBondContact N-OD1 2.99Å; N144-N149 VanDerWaalsContact N-OD1 3.13Å; M145-N149 PolarHBondContact N-OD1 3.01Å; M145-N149 PolarHBondContact O-ND2 3.04Å; M145-N149 PolarHBondContact O-OD1 3.4Å; A147-N149 PolarHBondContact O-N 3.08Å; A147-N149 VanDerWaalsContact O-N 3.09Å; A147-N149 PolarHBondContact O-OD1 2.99Å; N149-M164 WeakPolarHBondContact O-CA 3.3Å; N149-R165 HydrophobicContact CB-CB 3.97Å; N149-R165 PolarHBondContact O-N 2.96Å
150	K	92.3	Very high	92.7	Very high	73 Å²	73	61.5 Å²	61.5	32%	0.317	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	154.7	177.2	-71.1	175.8	176	-166.9	0	109	N121 P148 Y162 T163 M164	N121-K150 VanDerWaalsContact OD1-CB 3.27Å; N121-K150 WeakPolarHBondContact OD1-CB 3.42Å; N121-K150 PolarHBondContact OD1-O 3.41Å; P148-K150 PolarHBondContact O-N 3.2Å; K150-Y162 HydrophobicContact CB-CE2 4.24Å; K150-Y162 HydrophobicContact CD-CE2 4.11Å; K150-Y162 VanDerWaalsContact CE-OH 3.3Å; K150-Y162 WeakPolarHBondContact CE-OH 3.33Å; K150-Y162 HydrophobicContact CG-CE2 4.19Å; K150-Y162 PolarHBondContact NZ-OH 3.07Å; K150-Y162 VanDerWaalsContact NZ-OH 3.11Å; K150-T163 CarbonylContact C-O 3.43Å; K150-T163 VanDerWaalsContact CA-O 3.28Å; K150-T163 WeakPolarHBondContact CA-O 3.48Å; K150-M164 HydrophobicContact CG-CB 4Å
151	L	90.1	Very high	92.8	Very high	63 Å²	63	60.7 Å²	60.7	33%	0.33	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.8	178.1	169.2	139.8	0	0	0	108.3	R153 Y162 T163	L151-R153 HydrophobicContact CD2-CG 4.03Å; L151-R153 HydrophobicContact CG-CG 4.49Å; L151-Y162 CarbonylContact O-C 3.55Å; L151-Y162 WeakPolarHBondContact O-CA 3.35Å; L151-T163 PolarHBondContact N-O 3.06Å; L151-T163 PolarHBondContact O-N 2.7Å
152	F	91.8	Very high	92.8	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.5	-177.7	-159.1	-99.4	0	0	0	109.5	W103 L119 M123 V124 V127 T129 I154 I160 Y162	W103-F152 HydrophobicContact CH2-CE2 4.17Å; W103-F152 HydrophobicContact CZ2-CE2 4.33Å; L119-F152 HydrophobicContact CD1-CD1 4.41Å; L119-F152 PolarHBondContact N-O 2.83Å; M123-F152 HydrophobicContact CG-CD1 4.26Å; M123-F152 HydrophobicContact CG-CE1 4.34Å; V124-F152 HydrophobicContact CG2-CB 3.76Å; V124-F152 HydrophobicContact CG2-CD2 3.93Å; V124-F152 HydrophobicContact CG2-CG 4Å; V127-F152 HydrophobicContact CB-CE1 4.45Å; V127-F152 HydrophobicContact CB-CZ 4.04Å; V127-F152 HydrophobicContact CG1-CE1 4.33Å; V127-F152 HydrophobicContact CG1-CZ 3.68Å; V127-F152 HydrophobicContact CG2-CE1 4.33Å; V127-F152 HydrophobicContact CG2-CZ 4.4Å; T129-F152 HydrophobicContact CG2-CE2 4.43Å; F152-I154 HydrophobicContact CD1-CG1 4.1Å; F152-I154 HydrophobicContact CE1-CD1 3.99Å; F152-I154 HydrophobicContact CE1-CG1 3.74Å; F152-I160 HydrophobicContact CD2-CG2 4.28Å; F152-I160 HydrophobicContact CE1-CG2 4.09Å; F152-I160 HydrophobicContact CE2-CG2 3.5Å; F152-I160 VanDerWaalsContact CE2-CG2 3.5Å; F152-I160 HydrophobicContact CZ-CD1 4.32Å; F152-I160 HydrophobicContact CZ-CG1 4.37Å; F152-I160 HydrophobicContact CZ-CG2 3.38Å; F152-Y162 AromaticContact CD2-CD2 3.9Å; F152-Y162 HydrophobicContact CD2-CD2 3.9Å; F152-Y162 HydrophobicContact CD2-CG 4.21Å
153	R	93.5	Very high	92.9	Very high	86 Å²	86	55.7 Å²	55.7	33%	0.325	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.1	179.8	-67.7	179.1	-178.2	167.5	2.2	109.9	I116 L117 R118 L151 I160 L161	I116-R153 HydrophobicContact CG2-CB 3.85Å; I116-R153 HydrophobicContact CG2-CG 4.21Å; L117-R153 VanDerWaalsContact O-CA 3.23Å; L117-R153 WeakPolarHBondContact O-CA 3.4Å; R118-R153 HydrophobicContact CG-CG 4.4Å; L151-R153 HydrophobicContact CD2-CG 4.03Å; L151-R153 HydrophobicContact CG-CG 4.49Å; R153-I160 WeakPolarHBondContact O-CA 3.44Å; R153-L161 HydrophobicContact CB-CB 4.36Å; R153-L161 PolarHBondContact N-O 3.38Å; R153-L161 PolarHBondContact O-N 3.12Å
154	I	93.5	Very high	92.9	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.8	174.9	-46.3	-179.6	0	0	0	107.5	L108 Y110 I116 L117 L119 M123 F152 I160	L108-I154 HydrophobicContact CB-CG2 4.23Å; L108-I154 WeakPolarHBondContact O-CG2 3.43Å; Y110-I154 HydrophobicContact CD1-CG2 4.38Å; Y110-I154 HydrophobicContact CE1-CB 4.35Å; Y110-I154 HydrophobicContact CE1-CG2 4.02Å; Y110-I154 PolarHBondContact OH-O 3.42Å; I116-I154 CarbonylContact C-O 3.58Å; I116-I154 WeakPolarHBondContact CA-O 3.23Å; L117-I154 HydrophobicContact CB-CB 4.46Å; L117-I154 PolarHBondContact N-O 3.39Å; L117-I154 PolarHBondContact O-N 3.07Å; L119-I154 HydrophobicContact CD1-CD1 3.63Å; L119-I154 HydrophobicContact CD1-CG1 3.94Å; M123-I154 HydrophobicContact CE-CD1 4.15Å; F152-I154 HydrophobicContact CD1-CG1 4.1Å; F152-I154 HydrophobicContact CE1-CD1 3.99Å; F152-I154 HydrophobicContact CE1-CG1 3.74Å; I154-I160 HydrophobicContact CG1-CG1 4.49Å; I154-I160 HydrophobicContact CG2-CG1 4.42Å
155	M	94.6	Very high	93.1	Very high	73 Å²	73	53.4 Å²	53.4	36%	0.36	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	150.6	172.4	-56	-176.8	69.1	0	0	109.8	E115 I116 N157 G158 T159	E115-M155 CarbonylContact O-C 3.56Å; E115-M155 VanDerWaalsContact O-CA 3.31Å; E115-M155 WeakPolarHBondContact O-CA 3.48Å; I116-M155 HydrophobicContact CG1-CG 4.26Å; M155-N157 WeakPolarHBondContact CB-OD1 3.36Å; M155-N157 PolarHBondContact O-N 3.2Å; M155-G158 PolarHBondContact O-N 3.33Å; M155-T159 WeakPolarHBondContact CB-O 3.48Å; M155-T159 WeakPolarHBondContact CG-O 3.19Å; M155-T159 PolarHBondContact N-O 2.73Å; M155-T159 HydrophobicContact SD-CG2 3.99Å
156	R	92.6	Very high	93.4	Very high	86 Å²	86	47.1 Å²	47.1	33%	0.325	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-31.8	-175.4	-164.4	-175.5	-63.1	164.3	3.9	114.6	K109 Y110 G112 P113 I114 E115 G158	K109-R156 WeakPolarHBondContact CG-O 3.44Å; Y110-R156 HydrophobicContact CD2-CG 4.28Å; Y110-R156 HydrophobicContact CE2-CB 4.18Å; Y110-R156 HydrophobicContact CE2-CG 4.07Å; Y110-R156 PolarHBondContact N-O 2.74Å; Y110-R156 WeakPolarHBondContact O-CG 3.47Å; Y110-R156 PolarHBondContact OH-N 2.89Å; G112-R156 PolarHBondContact O-NE 3.33Å; G112-R156 VanDerWaalsContact O-NE 3.11Å; G112-R156 PolarHBondContact O-NH2 3.32Å; P113-R156 PolarHBondContact O-NH2 2.97Å; I114-R156 VanDerWaalsContact C-NH2 3.29Å; I114-R156 PolarHBondContact O-NE 3.02Å; I114-R156 VanDerWaalsContact O-NE 3.08Å; I114-R156 PolarHBondContact O-NH2 3.43Å; E115-R156 PolarHBondContact O-N 3.4Å; R156-G158 VanDerWaalsContact C-N 3.28Å; R156-G158 PolarHBondContact O-N 3.4Å
157	N	93.8	Very high	93.8	Very high	91 Å²	91	42.1 Å²	42.1	49%	0.487	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	3.1	178.7	70	-19.8	0	0	0	115.1	M155 T159	M155-N157 WeakPolarHBondContact CB-OD1 3.36Å; M155-N157 PolarHBondContact O-N 3.2Å; N157-T159 PolarHBondContact ND2-OG1 2.93Å; N157-T159 VanDerWaalsContact OD1-CB 3.31Å; N157-T159 WeakPolarHBondContact OD1-CB 3.44Å; N157-T159 PolarHBondContact OD1-N 3.46Å; N157-T159 PolarHBondContact OD1-OG1 2.91Å; N157-T159 VanDerWaalsContact OD1-OG1 3.09Å
158	G	93.5	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	84.7	5.8	-173.9	0	0	0	0	0	114.7	D105 M155 R156 I160	D105-G158 PolarHBondContact N-O 3.4Å; D105-G158 WeakPolarHBondContact O-CA 3.36Å; M155-G158 PolarHBondContact O-N 3.33Å; R156-G158 VanDerWaalsContact C-N 3.28Å; R156-G158 PolarHBondContact O-N 3.4Å; G158-I160 PolarHBondContact O-N 2.88Å
159	T	96.4	Very high	94.5	Very high	18 Å²	18	37.7 Å²	37.7	11%	0.11	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.3	170	-59	0	0	0	0	109.8	T102 W103 M155 N157	T102-T159 HydrophobicContact CG2-CG2 3.54Å; W103-T159 CarbonylContact O-C 3.59Å; W103-T159 WeakPolarHBondContact O-CA 3.49Å; M155-T159 WeakPolarHBondContact CB-O 3.48Å; M155-T159 WeakPolarHBondContact CG-O 3.19Å; M155-T159 PolarHBondContact N-O 2.73Å; M155-T159 HydrophobicContact SD-CG2 3.99Å; N157-T159 PolarHBondContact ND2-OG1 2.93Å; N157-T159 VanDerWaalsContact OD1-CB 3.31Å; N157-T159 WeakPolarHBondContact OD1-CB 3.44Å; N157-T159 PolarHBondContact OD1-N 3.46Å; N157-T159 PolarHBondContact OD1-OG1 2.91Å; N157-T159 VanDerWaalsContact OD1-OG1 3.09Å
160	I	95.5	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.9	178.1	-67.7	160.3	0	0	0	108.7	T102 W103 D105 L108 V127 F152 R153 I154 G158	T102-I160 VanDerWaalsContact CA-O 3.24Å; T102-I160 WeakPolarHBondContact CA-O 3.21Å; W103-I160 HydrophobicContact CD2-CB 4.3Å; W103-I160 HydrophobicContact CD2-CG2 4.35Å; W103-I160 HydrophobicContact CE3-CG2 4.47Å; W103-I160 HydrophobicContact CH2-CG2 3.73Å; W103-I160 HydrophobicContact CZ2-CB 4.18Å; W103-I160 HydrophobicContact CZ2-CD1 4.17Å; W103-I160 HydrophobicContact CZ2-CG2 3.56Å; W103-I160 HydrophobicContact CZ3-CG2 4.19Å; W103-I160 PolarHBondContact N-O 3.08Å; W103-I160 VanDerWaalsContact N-O 3.13Å; W103-I160 PolarHBondContact O-N 3.28Å; D105-I160 HydrophobicContact CB-CD1 3.73Å; L108-I160 HydrophobicContact CD1-CD1 3.74Å; V127-I160 HydrophobicContact CG1-CD1 4.36Å; F152-I160 HydrophobicContact CD2-CG2 4.28Å; F152-I160 HydrophobicContact CE1-CG2 4.09Å; F152-I160 HydrophobicContact CE2-CG2 3.5Å; F152-I160 VanDerWaalsContact CE2-CG2 3.5Å; F152-I160 HydrophobicContact CZ-CD1 4.32Å; F152-I160 HydrophobicContact CZ-CG1 4.37Å; F152-I160 HydrophobicContact CZ-CG2 3.38Å; R153-I160 WeakPolarHBondContact O-CA 3.44Å; I154-I160 HydrophobicContact CG1-CG1 4.49Å; I154-I160 HydrophobicContact CG2-CG1 4.42Å; G158-I160 PolarHBondContact O-N 2.88Å
161	L	95.6	Very high	95	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.225	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.1	164.9	169.8	62.4	0	0	0	109	R100 R153	R100-L161 HydrophobicContact CB-CD1 4.47Å; R153-L161 HydrophobicContact CB-CB 4.36Å; R153-L161 PolarHBondContact N-O 3.38Å; R153-L161 PolarHBondContact O-N 3.12Å
162	Y	95.3	Very high	95.3	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.039	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.2	171	-177.5	-149.2	0	0	0	109	R100 Q101 W103 V124 T129 K150 L151 F152 M164	R100-Y162 WeakPolarHBondContact CA-O 3.47Å; Q101-Y162 PolarHBondContact N-O 3.35Å; Q101-Y162 PolarHBondContact O-N 2.88Å; W103-Y162 HydrophobicContact CH2-CD1 4.06Å; W103-Y162 HydrophobicContact CH2-CG 4.27Å; W103-Y162 HydrophobicContact CZ3-CD1 4.17Å; W103-Y162 HydrophobicContact CZ3-CG 4.41Å; V124-Y162 HydrophobicContact CG1-CD2 4.47Å; V124-Y162 HydrophobicContact CG1-CE2 3.65Å; V124-Y162 HydrophobicContact CG2-CE2 4.33Å; T129-Y162 HydrophobicContact CG2-CD1 4.41Å; T129-Y162 HydrophobicContact CG2-CE1 4.21Å; K150-Y162 HydrophobicContact CB-CE2 4.24Å; K150-Y162 HydrophobicContact CD-CE2 4.11Å; K150-Y162 VanDerWaalsContact CE-OH 3.3Å; K150-Y162 WeakPolarHBondContact CE-OH 3.33Å; K150-Y162 HydrophobicContact CG-CE2 4.19Å; K150-Y162 PolarHBondContact NZ-OH 3.07Å; K150-Y162 VanDerWaalsContact NZ-OH 3.11Å; L151-Y162 CarbonylContact O-C 3.55Å; L151-Y162 WeakPolarHBondContact O-CA 3.35Å; F152-Y162 AromaticContact CD2-CD2 3.9Å; F152-Y162 HydrophobicContact CD2-CD2 3.9Å; F152-Y162 HydrophobicContact CD2-CG 4.21Å; Y162-M164 HydrophobicContact CD1-CE 3.95Å; Y162-M164 HydrophobicContact CE1-CE 3.32Å
163	T	95.2	Very high	95.4	Very high	20 Å²	20	37.5 Å²	37.5	12%	0.123	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.5	176.1	-57.6	0	0	0	0	109.2	F98 F99 R100 K150 L151	F98-T163 HydrophobicContact CB-CG2 4.39Å; F99-T163 WeakPolarHBondContact O-CA 3.36Å; R100-T163 HydrophobicContact CG-CG2 3.76Å; K150-T163 CarbonylContact C-O 3.43Å; K150-T163 VanDerWaalsContact CA-O 3.28Å; K150-T163 WeakPolarHBondContact CA-O 3.48Å; L151-T163 PolarHBondContact N-O 3.06Å; L151-T163 PolarHBondContact O-N 2.7Å
164	M	94.6	Very high	95.4	Very high	24 Å²	24	33.9 Å²	33.9	12%	0.118	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.2	175.8	62.1	-176.7	93.7	0	0	110.7	F98 F99 N149 K150 Y162 L166	F98-M164 WeakPolarHBondContact CA-O 3.22Å; F99-M164 HydrophobicContact CB-CG 4.02Å; F99-M164 HydrophobicContact CD1-CE 4.23Å; F99-M164 HydrophobicContact CD1-CG 4.42Å; F99-M164 HydrophobicContact CD1-SD 4.44Å; F99-M164 PolarHBondContact N-O 2.85Å; F99-M164 PolarHBondContact O-N 3.09Å; N149-M164 WeakPolarHBondContact O-CA 3.3Å; K150-M164 HydrophobicContact CG-CB 4Å; Y162-M164 HydrophobicContact CD1-CE 3.95Å; Y162-M164 HydrophobicContact CE1-CE 3.32Å; M164-L166 HydrophobicContact CG-CD1 4.16Å; M164-L166 HydrophobicContact CG-CD2 4.07Å; M164-L166 HydrophobicContact CG-CG 3.92Å; M164-L166 HydrophobicContact SD-CD1 3.91Å; M164-L166 HydrophobicContact SD-CD2 3.84Å; M164-L166 HydrophobicContact SD-CG 4.07Å
165	R	96.1	Very high	95.3	Very high	81 Å²	81	42.9 Å²	42.9	31%	0.306	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.1	167.4	-165.3	-166.4	158.5	164.2	1.8	109.2	D96 V97 F98 H143 N149	D96-R165 IonicContact OD2-CZ 3.82Å; D96-R165 IonicContact OD2-NH2 3.25Å; D96-R165 PolarHBondContact OD2-NH2 3.17Å; V97-R165 WeakPolarHBondContact O-CA 3.24Å; F98-R165 HydrophobicContact CD1-CB 3.84Å; F98-R165 HydrophobicContact CD1-CG 4.05Å; F98-R165 HydrophobicContact CE1-CB 3.74Å; F98-R165 HydrophobicContact CE1-CG 3.83Å; F98-R165 HydrophobicContact CZ-CG 4.45Å; H143-R165 WeakPolarHBondContact CD2-CD 3.33Å; H143-R165 VanDerWaalsContact CD2-CG 3.42Å; H143-R165 WeakPolarHBondContact CD2-CG 3.37Å; H143-R165 PolarHBondContact CD2-NE 3.19Å; H143-R165 PolarHBondContact CD2-O 3.37Å; H143-R165 PolarHBondContact N-O 3.22Å; H143-R165 PolarHBondContact NE2-NE 3.12Å; N149-R165 HydrophobicContact CB-CB 3.97Å; N149-R165 PolarHBondContact O-N 2.96Å
166	L	96.8	Very high	95.2	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.068	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140	178.7	-56.7	177.7	0	0	0	110.7	D96 V97 F99 F134 V141 M164 I168	D96-L166 CarbonylContact C-O 3.6Å; D96-L166 WeakPolarHBondContact CA-O 3.3Å; V97-L166 HydrophobicContact CG2-CB 4.12Å; V97-L166 PolarHBondContact N-O 3.45Å; V97-L166 PolarHBondContact O-N 3.25Å; F99-L166 HydrophobicContact CB-CD1 4.21Å; F134-L166 HydrophobicContact CE2-CD1 3.6Å; F134-L166 HydrophobicContact CZ-CD1 3.96Å; V141-L166 WeakPolarHBondContact O-CA 3.26Å; M164-L166 HydrophobicContact CG-CD1 4.16Å; M164-L166 HydrophobicContact CG-CD2 4.07Å; M164-L166 HydrophobicContact CG-CG 3.92Å; M164-L166 HydrophobicContact SD-CD1 3.91Å; M164-L166 HydrophobicContact SD-CD2 3.84Å; M164-L166 HydrophobicContact SD-CG 4.07Å; L166-I168 HydrophobicContact CB-CD1 4.4Å; L166-I168 HydrophobicContact CB-CG1 3.99Å; L166-I168 HydrophobicContact CD1-CD1 4.33Å; L166-I168 HydrophobicContact CD1-CG1 4.45Å
167	T	97.1	Very high	95.2	Very high	34 Å²	34	37.4 Å²	37.4	21%	0.209	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.8	151.8	-53.6	0	0	0	0	107.9	M95 D96 S140 V141 H143	M95-T167 CarbonylContact O-C 3.58Å; M95-T167 WeakPolarHBondContact O-CA 3.29Å; D96-T167 WeakPolarHBondContact OD1-CB 3.43Å; D96-T167 WeakPolarHBondContact OD1-CG2 3.29Å; D96-T167 PolarHBondContact OD1-OG1 3.37Å; S140-T167 CarbonylContact C-O 3.53Å; S140-T167 WeakPolarHBondContact CA-O 3.42Å; V141-T167 PolarHBondContact N-O 3.36Å; V141-T167 PolarHBondContact O-N 2.97Å; H143-T167 PolarHBondContact CE1-OG1 3.25Å; H143-T167 PolarHBondContact NE2-OG1 3.42Å
168	I	97.2	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.2	-179.6	-56.6	168	0	0	0	108.6	T94 M95 V97 F134 L166 A170 L188	T94-I168 WeakPolarHBondContact CA-O 3.19Å; M95-I168 HydrophobicContact CG-CB 4.3Å; M95-I168 PolarHBondContact N-O 3.21Å; M95-I168 PolarHBondContact O-N 3.44Å; V97-I168 HydrophobicContact CG2-CD1 3.65Å; V97-I168 HydrophobicContact CG2-CG1 4.43Å; F134-I168 HydrophobicContact CD1-CD1 4.09Å; F134-I168 HydrophobicContact CD2-CD1 4.25Å; F134-I168 HydrophobicContact CE1-CD1 3.62Å; F134-I168 HydrophobicContact CE2-CD1 3.81Å; F134-I168 HydrophobicContact CE2-CG1 4.36Å; F134-I168 HydrophobicContact CG-CD1 4.4Å; F134-I168 HydrophobicContact CG-CG2 4.44Å; F134-I168 HydrophobicContact CZ-CD1 3.48Å; F134-I168 VanDerWaalsContact CZ-CD1 3.48Å; F134-I168 HydrophobicContact CZ-CG1 4.48Å; L166-I168 HydrophobicContact CB-CD1 4.4Å; L166-I168 HydrophobicContact CB-CG1 3.99Å; L166-I168 HydrophobicContact CD1-CD1 4.33Å; L166-I168 HydrophobicContact CD1-CG1 4.45Å; I168-A170 HydrophobicContact CG2-CB 4.06Å; I168-L188 HydrophobicContact CD1-CD1 4.32Å; I168-L188 HydrophobicContact CG2-CD1 4.01Å
169	S	97	Very high	95.1	Very high	20 Å²	20	34.3 Å²	34.3	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	106.7	164.7	-56.3	0	0	0	0	108.2	Y93 G137 K138 K139	Y93-S169 CarbonylContact O-C 3.56Å; Y93-S169 WeakPolarHBondContact O-CA 3.38Å; G137-S169 CarbonylContact C-O 3.59Å; K138-S169 PolarHBondContact N-O 3.47Å; K139-S169 PolarHBondContact N-O 2.99Å; K139-S169 WeakPolarHBondContact O-CA 3.48Å; K139-S169 WeakPolarHBondContact O-CB 3.43Å; K139-S169 PolarHBondContact O-N 3.23Å; K139-S169 VanDerWaalsContact O-O 3.1Å
170	A	97.5	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.3	-174.8	0	0	0	0	0	112.1	E92 Y93 N136 I168 L188	E92-A170 CarbonylContact C-O 3.6Å; E92-A170 VanDerWaalsContact CA-O 3.25Å; E92-A170 WeakPolarHBondContact CA-O 3.45Å; E92-A170 WeakPolarHBondContact CB-O 3.29Å; Y93-A170 VanDerWaalsContact CD1-O 3.31Å; Y93-A170 WeakPolarHBondContact CD1-O 3.47Å; Y93-A170 HydrophobicContact CE1-CB 3.79Å; Y93-A170 HydrophobicContact CE2-CB 4.08Å; Y93-A170 PolarHBondContact N-O 2.59Å; Y93-A170 PolarHBondContact O-N 3.45Å; Y93-A170 WeakPolarHBondContact OH-CB 3.41Å; N136-A170 CarbonylContact O-C 3.49Å; N136-A170 VanDerWaalsContact O-CA 3.3Å; N136-A170 WeakPolarHBondContact O-CA 3.37Å; I168-A170 HydrophobicContact CG2-CB 4.06Å; A170-L188 HydrophobicContact CB-CD1 4.26Å
171	E	97.3	Very high	94.7	Very high	89 Å²	89	33.8 Å²	33.8	42%	0.416	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	132.1	178.9	-171.5	176.1	155.5	0	0	111.3	M91 N136 K138	M91-E171 WeakPolarHBondContact O-CA 3.35Å; N136-E171 HydrophobicContact CB-CB 4.34Å; N136-E171 PolarHBondContact ND2-O 2.84Å; N136-E171 PolarHBondContact O-N 3.04Å; K138-E171 HydrophobicContact CD-CB 4.28Å; K138-E171 HydrophobicContact CG-CB 4.31Å
172	C	96.7	Very high	94.5	Very high	2 Å²	2	32 Å²	32	1%	0.014	16%	0.157	C	C	.	.			trans	-126.6	107.6	172.7	175.1	0	0	0	0	109.3	M91 Y93 M174 C186	M91-C172 PolarHBondContact O-N 3.47Å; Y93-C172 HydrophobicContact CD1-CB 3.7Å; Y93-C172 HydrophobicContact CE1-CB 4.05Å; C172-M174 HydrophobicContact CB-CE 4.03Å; C172-M174 PolarHBondContact O-N 3.22Å; C172-C186 HydrophobicContact CB-CB 3.66Å; C172-C186 WeakPolarHBondContact CB-SG 3.43Å; C172-C186 WeakPolarHBondContact SG-CA 3.42Å; C172-C186 WeakPolarHBondContact SG-CB 3.4Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 3.15Å
173	P	94	Very high	94.3	Very high	97 Å²	97	32.9 Å²	32.9	63%	0.63	17%	0.169	S	C	*	.			trans	-73.3	96	178.6	29	-33.6	0	0	0	110.4
174	M	92.5	Very high	94.2	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.049	17%	0.166	C	C	.	.			trans	-84	138.7	-177.5	-62.9	168.7	-157.1	0	0	111.7	V86 C172 L176	V86-M174 HydrophobicContact CG1-CE 3.44Å; V86-M174 VanDerWaalsContact CG1-CE 3.44Å; V86-M174 HydrophobicContact CG1-SD 4.47Å; C172-M174 HydrophobicContact CB-CE 4.03Å; C172-M174 PolarHBondContact O-N 3.22Å; M174-L176 HydrophobicContact CB-CD2 4.05Å; M174-L176 HydrophobicContact CB-CG 4.25Å
175	R	92.2	Very high	94.3	Very high	189 Å²	189	33.8 Å²	33.8	71%	0.713	18%	0.18	S	C	*	.			trans	-105.5	88	175.6	-173.8	178.5	179.2	169.8	-0.1	110.3	V177	R175-V177 HydrophobicContact CG-CB 4.46Å; R175-V177 HydrophobicContact CG-CG2 3.86Å; R175-V177 PolarHBondContact O-N 3.18Å
176	L	92.7	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	26.8	-171.7	-55.7	173.8	0	0	0	113.9	M174 F179 D182 H184 L310 P311 V313 Y315 T317	M174-L176 HydrophobicContact CB-CD2 4.05Å; M174-L176 HydrophobicContact CB-CG 4.25Å; L176-F179 HydrophobicContact CB-CB 4.18Å; L176-F179 HydrophobicContact CD2-CD2 4.19Å; L176-F179 VanDerWaalsContact O-CB 3.3Å; L176-F179 WeakPolarHBondContact O-CB 3.33Å; L176-F179 PolarHBondContact O-N 2.84Å; L176-D182 WeakPolarHBondContact CD2-OD2 3.46Å; L176-H184 WeakPolarHBondContact CD2-NE2 3.44Å; L176-L310 HydrophobicContact CD1-CD2 4.15Å; L176-P311 HydrophobicContact CD1-CG 3.26Å; L176-V313 HydrophobicContact CD1-CG1 4.45Å; L176-Y315 PolarHBondContact N-OH 2.72Å; L176-T317 WeakPolarHBondContact O-CG2 3.27Å
177	V	92.8	Very high	94.3	Very high	44 Å²	44	30 Å²	30	27%	0.267	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-43.9	-175.5	173.8	0	0	0	0	110.9	R175 F179 Y315 T317 A318	R175-V177 HydrophobicContact CG-CB 4.46Å; R175-V177 HydrophobicContact CG-CG2 3.86Å; R175-V177 PolarHBondContact O-N 3.18Å; V177-F179 VanDerWaalsContact C-N 3.34Å; V177-Y315 HydrophobicContact CB-CE2 4.48Å; V177-Y315 HydrophobicContact CG2-CD2 4.02Å; V177-Y315 HydrophobicContact CG2-CE2 3.71Å; V177-T317 CarbonylContact O-C 3.46Å; V177-T317 WeakPolarHBondContact O-CA 3.38Å; V177-A318 PolarHBondContact O-N 2.94Å
178	D	92.3	Very high	94.3	Very high	26 Å²	26	28.5 Å²	28.5	14%	0.139	16%	0.158	C	C	.	.	S	Bend	trans	-94.2	7.8	-177.7	-66.1	-83.8	0	0	0	113	M181 Y541 K544	D178-M181 WeakPolarHBondContact CB-O 3.42Å; D178-M181 CarbonylContact O-C 3.46Å; D178-M181 WeakPolarHBondContact O-CA 3.34Å; D178-M181 PolarHBondContact O-N 3.4Å; D178-Y541 HydrophobicContact CB-CD1 4.49Å; D178-Y541 WeakPolarHBondContact OD1-CE1 3.29Å; D178-K544 WeakPolarHBondContact OD1-CD 3.46Å; D178-K544 IonicContact OD1-NZ 2.75Å; D178-K544 PolarHBondContact OD1-NZ 3.48Å; D178-K544 IonicContact OD2-NZ 2.73Å
179	F	92.9	Very high	94.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	133.3	-179.6	175.5	-83.1	0	0	0	112.9	L176 V177 R254 F259 L310 T317 M319	L176-F179 HydrophobicContact CB-CB 4.18Å; L176-F179 HydrophobicContact CD2-CD2 4.19Å; L176-F179 VanDerWaalsContact O-CB 3.3Å; L176-F179 WeakPolarHBondContact O-CB 3.33Å; L176-F179 PolarHBondContact O-N 2.84Å; V177-F179 VanDerWaalsContact C-N 3.34Å; F179-R254 VanDerWaalsContact CD2-CZ 3.48Å; F179-R254 VanDerWaalsContact CE2-CZ 3.42Å; F179-F259 HydrophobicContact CE1-CD1 4.38Å; F179-F259 HydrophobicContact CE1-CE1 4.03Å; F179-F259 HydrophobicContact CE1-CZ 4.45Å; F179-F259 HydrophobicContact CE2-CE1 4.48Å; F179-F259 HydrophobicContact CE2-CZ 4.15Å; F179-F259 HydrophobicContact CZ-CD1 4.27Å; F179-F259 AromaticContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE2 4.43Å; F179-F259 AromaticContact CZ-CZ 3.6Å; F179-F259 HydrophobicContact CZ-CZ 3.6Å; F179-L310 HydrophobicContact CD1-CD1 3.95Å; F179-L310 HydrophobicContact CD1-CD2 3.81Å; F179-L310 HydrophobicContact CD1-CG 4.21Å; F179-L310 HydrophobicContact CD2-CD2 3.72Å; F179-L310 HydrophobicContact CE1-CD1 3.82Å; F179-L310 HydrophobicContact CE1-CD2 3.69Å; F179-L310 HydrophobicContact CE1-CG 3.78Å; F179-L310 HydrophobicContact CE2-CD2 3.55Å; F179-L310 HydrophobicContact CE2-CG 4.37Å; F179-L310 HydrophobicContact CG-CD2 3.84Å; F179-L310 HydrophobicContact CZ-CD1 4.41Å; F179-L310 HydrophobicContact CZ-CD2 3.54Å; F179-L310 HydrophobicContact CZ-CG 3.86Å; F179-T317 HydrophobicContact CB-CG2 4.44Å; F179-M319 HydrophobicContact CD1-CB 4.22Å; F179-M319 HydrophobicContact CD1-CE 4.28Å; F179-M319 HydrophobicContact CD1-SD 4.4Å; F179-M319 HydrophobicContact CE1-CE 3.79Å; F179-M319 HydrophobicContact CE1-SD 3.87Å; F179-M319 PolarHBondContact O-N 2.94Å; F179-M319 VanDerWaalsContact O-N 3.09Å
180	P	92.3	Very high	94.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.1	20.8	5.8	40.5	-40	0	0	0	114.3	D182 M256 F259 Y264	P180-D182 WeakPolarHBondContact CA-OD1 3.2Å; P180-M256 HydrophobicContact CB-SD 4.35Å; P180-M256 HydrophobicContact CG-CE 3.86Å; P180-M256 HydrophobicContact CG-SD 3.46Å; P180-M256 WeakPolarHBondContact CG-SD 3.16Å; P180-F259 HydrophobicContact CB-CB 4.35Å; P180-F259 HydrophobicContact CB-CD1 4.4Å; P180-F259 HydrophobicContact CB-CD2 3.55Å; P180-F259 HydrophobicContact CB-CE2 3.9Å; P180-F259 HydrophobicContact CB-CG 3.83Å; P180-F259 HydrophobicContact CB-CZ 4.46Å; P180-F259 HydrophobicContact CG-CB 3.89Å; P180-F259 HydrophobicContact CG-CD2 4.03Å; P180-F259 HydrophobicContact CG-CG 3.92Å; P180-Y264 VanDerWaalsContact CD-OH 3.29Å; P180-Y264 WeakPolarHBondContact CD-OH 3.45Å; P180-Y264 HydrophobicContact CG-CE2 4.09Å
181	M	90.1	Very high	94.2	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.03	16%	0.16	C	C	.	.	S	Bend	trans	-102.1	65.5	176.7	-71	159.3	-67.4	0	0	108.1	D178 M256 Y537 W538 Y541 L542	D178-M181 WeakPolarHBondContact CB-O 3.42Å; D178-M181 CarbonylContact O-C 3.46Å; D178-M181 WeakPolarHBondContact O-CA 3.34Å; D178-M181 PolarHBondContact O-N 3.4Å; M181-M256 HydrophobicContact CE-CE 4.03Å; M181-M256 HydrophobicContact CG-CE 3.93Å; M181-M256 HydrophobicContact SD-CE 3.76Å; M181-Y537 HydrophobicContact CE-CE1 4.07Å; M181-W538 HydrophobicContact SD-CE3 4.45Å; M181-W538 HydrophobicContact SD-CZ3 4.03Å; M181-Y541 HydrophobicContact CE-CD1 4.46Å; M181-Y541 HydrophobicContact CE-CD2 4.44Å; M181-Y541 HydrophobicContact CE-CG 3.93Å; M181-Y541 VanDerWaalsContact SD-CB 3.55Å; M181-L542 HydrophobicContact SD-CD2 4.25Å
182	D	91.4	Very high	94.2	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	14%	0.141	C	C	.	.			trans	-134.6	134.9	-168.6	54.4	-27.9	0	0	0	113.6	L176 P180 H184 R254	L176-D182 WeakPolarHBondContact CD2-OD2 3.46Å; P180-D182 WeakPolarHBondContact CA-OD1 3.2Å; D182-H184 IonicContact OD2-CE1 3.29Å; D182-H184 PolarHBondContact OD2-CE1 2.9Å; D182-H184 VanDerWaalsContact OD2-CE1 3.25Å; D182-H184 IonicContact OD2-NE2 2.67Å; D182-H184 PolarHBondContact OD2-NE2 3.31Å; D182-H184 VanDerWaalsContact OD2-NE2 3.12Å; D182-R254 PolarHBondContact O-N 2.93Å; D182-R254 WeakPolarHBondContact OD1-CD 3.37Å; D182-R254 IonicContact OD1-CZ 3.09Å; D182-R254 IonicContact OD1-NE 2.81Å; D182-R254 PolarHBondContact OD1-NE 3.43Å; D182-R254 IonicContact OD1-NH2 2.69Å; D182-R254 IonicContact OD2-CZ 2.67Å; D182-R254 IonicContact OD2-NE 3.68Å; D182-R254 PolarHBondContact OD2-NE 2.83Å; D182-R254 IonicContact OD2-NH2 2.71Å; D182-R254 PolarHBondContact OD2-NH2 3.27Å
183	G	91.5	Very high	94.1	Very high	29 Å²	29	33.5 Å²	33.5	30%	0.299	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143	167.1	0	0	0	0	0	112.5	L252 E548	G183-L252 CarbonylContact C-O 3.59Å; G183-L252 WeakPolarHBondContact CA-O 3.44Å; G183-E548 PolarHBondContact N-OE2 2.91Å
184	H	94.1	Very high	94.2	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.06	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.7	178.8	-59.6	-26.7	0	0	0	111.9	L176 D182 Y224 L252 R254	L176-H184 WeakPolarHBondContact CD2-NE2 3.44Å; D182-H184 IonicContact OD2-CE1 3.29Å; D182-H184 PolarHBondContact OD2-CE1 2.9Å; D182-H184 VanDerWaalsContact OD2-CE1 3.25Å; D182-H184 IonicContact OD2-NE2 2.67Å; D182-H184 PolarHBondContact OD2-NE2 3.31Å; D182-H184 VanDerWaalsContact OD2-NE2 3.12Å; H184-Y224 PolarHBondContact CD2-OH 3.09Å; H184-L252 PolarHBondContact N-O 2.84Å; H184-L252 PolarHBondContact O-N 2.86Å; H184-R254 PolarHBondContact NE2-NH2 2.69Å
185	A	95.1	Very high	94.3	Very high	50 Å²	50	33.2 Å²	33.2	41%	0.413	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	87	173.4	0	0	0	0	0	110	P187 Y249 F250	A185-P187 WeakPolarHBondContact O-CD 3.35Å; A185-Y249 HydrophobicContact CB-CD1 4.12Å; A185-F250 CarbonylContact C-O 3.5Å
186	C	96.4	Very high	94.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.4	-175.6	-71.7	0	0	0	0	111.8	Y93 C172 F250 L252	Y93-C186 HydrophobicContact CD1-CB 3.9Å; Y93-C186 HydrophobicContact CE1-CB 3.81Å; C172-C186 HydrophobicContact CB-CB 3.66Å; C172-C186 WeakPolarHBondContact CB-SG 3.43Å; C172-C186 WeakPolarHBondContact SG-CA 3.42Å; C172-C186 WeakPolarHBondContact SG-CB 3.4Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 3.15Å; C186-F250 PolarHBondContact N-O 2.84Å; C186-F250 PolarHBondContact O-N 2.84Å; C186-L252 HydrophobicContact CB-CD1 4.5Å
187	P	96.6	Very high	94.7	Very high	16 Å²	16	29.2 Å²	29.2	10%	0.104	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	147.5	-177.3	33.2	-34.2	0	0	0	112.4	Y93 N136 A185 K189 T247 V248 Y249	Y93-P187 VanDerWaalsContact OH-C 3.26Å; Y93-P187 PolarHBondContact OH-O 3.16Å; N136-P187 PolarHBondContact ND2-O 3.29Å; A185-P187 WeakPolarHBondContact O-CD 3.35Å; P187-K189 HydrophobicContact CB-CG 4.18Å; P187-T247 HydrophobicContact CB-CG2 4.45Å; P187-V248 CarbonylContact C-O 3.59Å; P187-V248 VanDerWaalsContact CA-O 3.31Å; P187-V248 WeakPolarHBondContact CA-O 3.47Å; P187-Y249 HydrophobicContact CB-CD1 4.09Å; P187-Y249 HydrophobicContact CB-CE1 3.93Å
188	L	97.1	Very high	94.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	107.6	159.1	-178.2	70.6	0	0	0	107.2	I78 Y93 M95 F134 I168 A170 T247 V248 F250	I78-L188 HydrophobicContact CD1-CD2 4.36Å; Y93-L188 WeakPolarHBondContact OH-CA 3.36Å; Y93-L188 WeakPolarHBondContact OH-CB 3.42Å; Y93-L188 PolarHBondContact OH-N 3.12Å; M95-L188 HydrophobicContact SD-CD2 3.95Å; F134-L188 HydrophobicContact CD1-CD1 3.71Å; F134-L188 HydrophobicContact CD1-CG 4.17Å; F134-L188 HydrophobicContact CE1-CD1 4.13Å; F134-L188 HydrophobicContact CE1-CD2 4.33Å; F134-L188 HydrophobicContact CE1-CG 4.32Å; I168-L188 HydrophobicContact CD1-CD1 4.32Å; I168-L188 HydrophobicContact CG2-CD1 4.01Å; A170-L188 HydrophobicContact CB-CD1 4.26Å; L188-T247 WeakPolarHBondContact O-CA 3.41Å; L188-V248 HydrophobicContact CB-CB 4.39Å; L188-V248 PolarHBondContact N-O 2.95Å; L188-V248 PolarHBondContact O-N 2.83Å; L188-F250 HydrophobicContact CB-CE2 3.98Å; L188-F250 HydrophobicContact CD2-CE2 4.46Å
189	K	96.9	Very high	94.9	Very high	43 Å²	43	32.8 Å²	32.8	19%	0.187	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.4	-177.9	-57.5	-147.9	171.6	-157.7	0	110.6	F134 R135 N136 P187 E234 V245 M246 T247	F134-K189 CarbonylContact C-O 3.58Å; F134-K189 VanDerWaalsContact CA-O 3.31Å; F134-K189 WeakPolarHBondContact CA-O 3.42Å; R135-K189 HydrophobicContact CB-CB 4.11Å; R135-K189 PolarHBondContact N-O 3.09Å; N136-K189 PolarHBondContact OD1-N 3.36Å; P187-K189 HydrophobicContact CB-CG 4.18Å; K189-E234 WeakPolarHBondContact CE-OE1 3.3Å; K189-E234 VanDerWaalsContact NZ-CD 3.3Å; K189-E234 IonicContact NZ-OE1 3.82Å; K189-E234 PolarHBondContact NZ-OE1 3.32Å; K189-E234 IonicContact NZ-OE2 3.46Å; K189-E234 PolarHBondContact NZ-OE2 2.94Å; K189-E234 VanDerWaalsContact NZ-OE2 3.09Å; K189-V245 HydrophobicContact CB-CG1 4.09Å; K189-V245 HydrophobicContact CD-CG1 4.46Å; K189-M246 WeakPolarHBondContact CA-O 3.23Å; K189-T247 HydrophobicContact CD-CG2 4.27Å; K189-T247 WeakPolarHBondContact CD-OG1 3.42Å; K189-T247 HydrophobicContact CG-CG2 4.03Å; K189-T247 WeakPolarHBondContact CG-OG1 3.41Å
190	F	97.2	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.8	174.6	64.9	-88	0	0	0	113	T76 I78 F99 T132 F133 F134 W204 V245 M246	T76-F190 HydrophobicContact CG2-CE2 4Å; I78-F190 HydrophobicContact CD1-CD1 4.49Å; I78-F190 HydrophobicContact CD1-CE1 3.64Å; I78-F190 HydrophobicContact CD1-CZ 4.07Å; F99-F190 HydrophobicContact CE2-CD1 4.36Å; F99-F190 HydrophobicContact CE2-CD2 4.06Å; F99-F190 HydrophobicContact CE2-CE1 4.19Å; F99-F190 AromaticContact CE2-CE2 3.87Å; F99-F190 HydrophobicContact CE2-CE2 3.87Å; F99-F190 HydrophobicContact CE2-CG 4.3Å; F99-F190 AromaticContact CE2-CZ 3.92Å; F99-F190 HydrophobicContact CE2-CZ 3.92Å; F99-F190 AromaticContact CZ-CD2 3.77Å; F99-F190 HydrophobicContact CZ-CD2 3.77Å; F99-F190 AromaticContact CZ-CE2 3.77Å; F99-F190 HydrophobicContact CZ-CE2 3.77Å; F99-F190 HydrophobicContact CZ-CG 4.31Å; F99-F190 HydrophobicContact CZ-CZ 4.31Å; T132-F190 HydrophobicContact CG2-CB 4.23Å; T132-F190 HydrophobicContact CG2-CD2 3.77Å; T132-F190 HydrophobicContact CG2-CG 4.43Å; F133-F190 VanDerWaalsContact O-CA 3.25Å; F133-F190 WeakPolarHBondContact O-CA 3.18Å; F133-F190 WeakPolarHBondContact O-CB 3.49Å; F134-F190 HydrophobicContact CD1-CB 3.75Å; F134-F190 HydrophobicContact CE1-CB 3.86Å; F134-F190 HydrophobicContact CE1-CD1 4.23Å; F134-F190 HydrophobicContact CE1-CG 4.25Å; F134-F190 HydrophobicContact CG-CB 4.49Å; F190-W204 AromaticContact CE1-CH2 3.73Å; F190-W204 HydrophobicContact CE1-CH2 3.73Å; F190-W204 HydrophobicContact CE1-CZ2 4.43Å; F190-W204 HydrophobicContact CE1-CZ3 4.41Å; F190-W204 AromaticContact CZ-CH2 3.57Å; F190-W204 HydrophobicContact CZ-CH2 3.57Å; F190-W204 HydrophobicContact CZ-CZ2 4.28Å; F190-W204 AromaticContact CZ-CZ3 3.91Å; F190-W204 HydrophobicContact CZ-CZ3 3.91Å; F190-V245 WeakPolarHBondContact O-CA 3.48Å; F190-M246 HydrophobicContact CD1-CB 4.14Å; F190-M246 HydrophobicContact CD2-CB 3.96Å; F190-M246 HydrophobicContact CD2-CG 4.28Å; F190-M246 HydrophobicContact CE1-CB 3.66Å; F190-M246 HydrophobicContact CE2-CB 3.47Å; F190-M246 VanDerWaalsContact CE2-CB 3.47Å; F190-M246 HydrophobicContact CE2-CG 3.68Å; F190-M246 HydrophobicContact CG-CB 4.28Å; F190-M246 HydrophobicContact CZ-CB 3.32Å; F190-M246 HydrophobicContact CZ-CG 3.93Å; F190-M246 PolarHBondContact N-O 3.23Å; F190-M246 PolarHBondContact O-N 3.09Å
191	G	96.6	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-170.6	178.9	0	0	0	0	0	112.1	T132 F133	T132-G191 WeakPolarHBondContact CA-O 3.25Å; F133-G191 WeakPolarHBondContact CD1-O 3.42Å; F133-G191 PolarHBondContact N-O 2.88Å; F133-G191 PolarHBondContact O-N 3.28Å; F133-G191 VanDerWaalsContact O-N 3.15Å
192	S	96.8	Very high	95.5	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	146.3	174.8	-174.9	0	0	0	0	110.8	D131 F133 Y195 M200 Y202 Y243	D131-S192 WeakPolarHBondContact OD1-CA 3.34Å; D131-S192 WeakPolarHBondContact OD1-CB 3.5Å; D131-S192 PolarHBondContact OD1-OG 3.01Å; D131-S192 PolarHBondContact OD2-OG 2.71Å; F133-S192 WeakPolarHBondContact CE1-O 2.94Å; S192-Y195 VanDerWaalsContact CB-O 3.31Å; S192-Y195 WeakPolarHBondContact CB-O 3.02Å; S192-Y195 WeakPolarHBondContact OG-CA 3.4Å; S192-Y195 WeakPolarHBondContact OG-CB 3.42Å; S192-Y195 PolarHBondContact OG-N 3.07Å; S192-Y195 PolarHBondContact OG-O 3.43Å; S192-M200 VanDerWaalsContact CB-CE 3.5Å; S192-M200 WeakPolarHBondContact OG-CE 3.27Å; S192-Y202 VanDerWaalsContact N-CE2 3.28Å; S192-Y243 WeakPolarHBondContact O-CD1 3.34Å
193	Y	95.1	Very high	95.8	Very high	170 Å²	170	36.8 Å²	36.8	67%	0.667	21%	0.205	S	C	*	.	S	Bend	trans	-86.8	-51.9	175.1	-176.7	-95.8	0	0	0	111.3	D131 F133 Y243	D131-Y193 WeakPolarHBondContact OD2-CA 3.36Å; D131-Y193 WeakPolarHBondContact OD2-CB 3.43Å; D131-Y193 PolarHBondContact OD2-N 3.47Å; F133-Y193 HydrophobicContact CD1-CD2 4.16Å; F133-Y193 HydrophobicContact CD1-CG 4.47Å; F133-Y193 AromaticContact CE1-CD2 3.96Å; F133-Y193 HydrophobicContact CE1-CD2 3.96Å; F133-Y193 HydrophobicContact CE1-CG 4.45Å; F133-Y193 HydrophobicContact CE2-CD2 4.38Å; F133-Y193 HydrophobicContact CG-CD2 4.46Å; F133-Y193 HydrophobicContact CZ-CD2 4.06Å; Y193-Y243 WeakPolarHBondContact O-CE1 3.43Å
194	A	95.2	Very high	95.9	Very high	56 Å²	56	36.6 Å²	36.6	46%	0.463	20%	0.195	S	C	.	.	S	Bend	trans	-93.4	-51.8	-177.6	0	0	0	0	0	112.5	D131 P196 Y243	D131-A194 PolarHBondContact OD2-N 3.13Å; A194-P196 WeakPolarHBondContact O-CD 3.27Å; A194-Y243 WeakPolarHBondContact O-CE1 3.41Å; A194-Y243 PolarHBondContact O-OH 3.28Å; A194-Y243 VanDerWaalsContact O-OH 3.05Å
195	Y	95.6	Very high	95.9	Very high	45 Å²	45	38.8 Å²	38.8	18%	0.176	21%	0.21	C	C	.	.			trans	-76	118.8	-167.9	-56	-73.7	0	0	0	112.9	R64 W128 S192 E199 M200 Y243	R64-Y195 HydrophobicContact CB-CE1 4.19Å; R64-Y195 HydrophobicContact CG-CE1 4.47Å; W128-Y195 HydrophobicContact CZ2-CD2 4.4Å; W128-Y195 AromaticContact CZ2-CE2 3.83Å; W128-Y195 HydrophobicContact CZ2-CE2 3.83Å; W128-Y195 AromaticContact NE1-CE2 3.91Å; W128-Y195 AromaticContact NE1-CZ 3.67Å; W128-Y195 PolarHBondContact NE1-OH 3Å; S192-Y195 VanDerWaalsContact CB-O 3.31Å; S192-Y195 WeakPolarHBondContact CB-O 3.02Å; S192-Y195 WeakPolarHBondContact OG-CA 3.4Å; S192-Y195 WeakPolarHBondContact OG-CB 3.42Å; S192-Y195 PolarHBondContact OG-N 3.07Å; S192-Y195 PolarHBondContact OG-O 3.43Å; Y195-E199 HydrophobicContact CD1-CB 4.37Å; Y195-M200 HydrophobicContact CD2-CE 3.87Å; Y195-M200 HydrophobicContact CD2-SD 4.46Å; Y195-M200 HydrophobicContact CG-CE 4.47Å; Y195-Y243 VanDerWaalsContact O-CD1 3.32Å; Y195-Y243 WeakPolarHBondContact O-CD1 3.48Å; Y195-Y243 WeakPolarHBondContact O-CE1 3.45Å
196	P	96.1	Very high	95.7	Very high	22 Å²	22	40.5 Å²	40.5	14%	0.143	21%	0.208	C	C	.	.			trans	-73.2	171.3	173.2	31.9	-36	0	0	0	112	A194 S198 E199 M200 E242	A194-P196 WeakPolarHBondContact O-CD 3.27Å; P196-S198 WeakPolarHBondContact CG-OG 3.45Å; P196-S198 PolarHBondContact O-N 3.4Å; P196-S198 VanDerWaalsContact O-N 3.1Å; P196-E199 HydrophobicContact CG-CG 4.32Å; P196-E199 WeakPolarHBondContact O-CA 3.45Å; P196-E199 PolarHBondContact O-N 3.01Å; P196-M200 PolarHBondContact O-N 3.22Å; P196-E242 CarbonylContact C-O 3.58Å; P196-E242 WeakPolarHBondContact CA-O 3.47Å; P196-E242 WeakPolarHBondContact CB-O 3.46Å
197	K	95.7	Very high	95.3	Very high	83 Å²	83	41.9 Å²	41.9	36%	0.361	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.2	176	179.7	177	-179.6	173.2	0	114.2	E199 I201 T235 E242 I244	K197-E199 PolarHBondContact O-N 3.13Å; K197-I201 HydrophobicContact CG-CG2 4.33Å; K197-T235 HydrophobicContact CD-CG2 3.85Å; K197-T235 PolarHBondContact NZ-OG1 3.43Å; K197-E242 VanDerWaalsContact CB-O 3.31Å; K197-E242 WeakPolarHBondContact CB-O 3.44Å; K197-E242 PolarHBondContact N-O 2.81Å; K197-I244 HydrophobicContact CB-CD1 4.49Å; K197-I244 HydrophobicContact CB-CG1 4.3Å; K197-I244 HydrophobicContact CD-CD1 3.67Å; K197-I244 HydrophobicContact CD-CG1 4.33Å; K197-I244 HydrophobicContact CG-CD1 3.89Å; K197-I244 HydrophobicContact CG-CG1 4.02Å
198	S	94.6	Very high	94.6	Very high	88 Å²	88	44.4 Å²	44.4	62%	0.615	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-3.3	173.5	51.9	0	0	0	0	114.1	P196	P196-S198 WeakPolarHBondContact CG-OG 3.45Å; P196-S198 PolarHBondContact O-N 3.4Å; P196-S198 VanDerWaalsContact O-N 3.1Å
199	E	95.6	Very high	93.8	Very high	58 Å²	58	52.1 Å²	52.1	27%	0.271	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-40.5	-179.1	-72.8	-157.2	-106.2	0	0	113.2	R64 V71 T72 Y195 P196 K197	R64-E199 WeakPolarHBondContact CD-OE2 3.49Å; R64-E199 IonicContact CZ-OE2 2.94Å; R64-E199 IonicContact NE-OE2 2.63Å; R64-E199 PolarHBondContact NE-OE2 3Å; R64-E199 PolarHBondContact NH1-O 2.87Å; R64-E199 IonicContact NH2-OE2 2.76Å; V71-E199 CarbonylContact C-O 3.3Å; V71-E199 WeakPolarHBondContact CA-O 3.42Å; T72-E199 PolarHBondContact N-O 2.63Å; Y195-E199 HydrophobicContact CD1-CB 4.37Å; P196-E199 HydrophobicContact CG-CG 4.32Å; P196-E199 WeakPolarHBondContact O-CA 3.45Å; P196-E199 PolarHBondContact O-N 3.01Å; K197-E199 PolarHBondContact O-N 3.13Å
200	M	95.5	Very high	93.5	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139	179.1	-170.1	165.3	68.5	0	0	111.4	T72 V74 W128 P130 D131 S192 Y195 P196 Y202	T72-M200 WeakPolarHBondContact O-CA 3.48Å; T72-M200 WeakPolarHBondContact O-CG 3.39Å; V74-M200 HydrophobicContact CG2-CG 3.92Å; V74-M200 HydrophobicContact CG2-SD 3.6Å; V74-M200 VanDerWaalsContact CG2-SD 3.6Å; W128-M200 HydrophobicContact CH2-SD 3.63Å; W128-M200 HydrophobicContact CZ2-SD 4.03Å; P130-M200 HydrophobicContact CB-CE 4.07Å; P130-M200 HydrophobicContact CB-SD 3.89Å; D131-M200 WeakPolarHBondContact OD1-CE 3.22Å; S192-M200 VanDerWaalsContact CB-CE 3.5Å; S192-M200 WeakPolarHBondContact OG-CE 3.27Å; Y195-M200 HydrophobicContact CD2-CE 3.87Å; Y195-M200 HydrophobicContact CD2-SD 4.46Å; Y195-M200 HydrophobicContact CG-CE 4.47Å; P196-M200 PolarHBondContact O-N 3.22Å; M200-Y202 HydrophobicContact CE-CE2 3.91Å; M200-Y202 VanDerWaalsContact CE-OH 3.3Å; M200-Y202 WeakPolarHBondContact CE-OH 3.31Å
201	I	96.6	Very high	93.2	Very high	45 Å²	45	56.7 Å²	56.7	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142	175.5	60.4	172.9	0	0	0	110.4	V71 T72 E73 V74 K197 I244	V71-I201 HydrophobicContact CG2-CD1 3.94Å; V71-I201 HydrophobicContact CG2-CG1 4.09Å; V71-I201 HydrophobicContact CG2-CG2 4.49Å; T72-I201 PolarHBondContact O-N 2.94Å; E73-I201 HydrophobicContact CB-CG1 4.26Å; E73-I201 HydrophobicContact CG-CD1 4.33Å; E73-I201 HydrophobicContact CG-CG1 4.2Å; V74-I201 PolarHBondContact N-O 2.9Å; K197-I201 HydrophobicContact CG-CG2 4.33Å; I201-I244 HydrophobicContact CB-CG1 4.36Å; I201-I244 HydrophobicContact CG2-CG1 4.11Å
202	Y	96.9	Very high	93.1	Very high	9 Å²	9	56.8 Å²	56.8	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.1	171.5	-67.8	-88.5	0	0	0	110.2	V74 T76 T132 S192 M200 M246	V74-Y202 HydrophobicContact CB-CD1 3.92Å; V74-Y202 HydrophobicContact CB-CE1 4.05Å; V74-Y202 HydrophobicContact CG1-CD1 3.98Å; V74-Y202 HydrophobicContact CG1-CE1 3.88Å; V74-Y202 WeakPolarHBondContact O-CA 3.4Å; T76-Y202 HydrophobicContact CG2-CD1 3.89Å; T76-Y202 HydrophobicContact CG2-CE1 4.42Å; T132-Y202 HydrophobicContact CG2-CE1 4.06Å; T132-Y202 WeakPolarHBondContact OG1-CE1 3.19Å; T132-Y202 PolarHBondContact OG1-OH 3.03Å; S192-Y202 VanDerWaalsContact N-CE2 3.28Å; M200-Y202 HydrophobicContact CE-CE2 3.91Å; M200-Y202 VanDerWaalsContact CE-OH 3.3Å; M200-Y202 WeakPolarHBondContact CE-OH 3.31Å; Y202-M246 VanDerWaalsContact CB-CG 3.44Å; Y202-M246 HydrophobicContact CG-CG 4.14Å
203	T	95.9	Very high	92.9	Very high	39 Å²	39	60.1 Å²	60.1	24%	0.239	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157	176.9	56.1	0	0	0	0	110.5	E73 V74 K75 T76	E73-T203 HydrophobicContact CG-CG2 4.17Å; E73-T203 WeakPolarHBondContact OE1-CB 3.05Å; E73-T203 WeakPolarHBondContact OE1-CG2 3.34Å; E73-T203 PolarHBondContact OE1-OG1 3.11Å; V74-T203 PolarHBondContact O-N 2.79Å; V74-T203 VanDerWaalsContact O-N 3.09Å; K75-T203 CarbonylContact C-O 3.59Å; K75-T203 VanDerWaalsContact CA-O 3.3Å; K75-T203 WeakPolarHBondContact CA-O 3.05Å; K75-T203 WeakPolarHBondContact CG-OG1 3.4Å; T76-T203 PolarHBondContact N-O 2.96Å; T76-T203 PolarHBondContact OG1-O 3.36Å
204	W	95.4	Very high	92.7	Very high	26 Å²	26	53.7 Å²	53.7	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.6	-179.4	-69.9	117.4	0	0	0	111	I78 F190 K206 G207 V212 V231 M246 V248	I78-W204 HydrophobicContact CD1-CH2 4.17Å; I78-W204 HydrophobicContact CD1-CZ3 4.2Å; I78-W204 HydrophobicContact CG1-CZ3 4.29Å; F190-W204 AromaticContact CE1-CH2 3.73Å; F190-W204 HydrophobicContact CE1-CH2 3.73Å; F190-W204 HydrophobicContact CE1-CZ2 4.43Å; F190-W204 HydrophobicContact CE1-CZ3 4.41Å; F190-W204 AromaticContact CZ-CH2 3.57Å; F190-W204 HydrophobicContact CZ-CH2 3.57Å; F190-W204 HydrophobicContact CZ-CZ2 4.28Å; F190-W204 AromaticContact CZ-CZ3 3.91Å; F190-W204 HydrophobicContact CZ-CZ3 3.91Å; W204-K206 PolarHBondContact O-N 2.93Å; W204-K206 VanDerWaalsContact O-N 3.13Å; W204-G207 PolarHBondContact O-N 3.22Å; W204-G207 VanDerWaalsContact O-N 3.11Å; W204-V212 HydrophobicContact CH2-CG2 4.08Å; W204-V212 HydrophobicContact CZ3-CG2 4.12Å; W204-V231 HydrophobicContact CD2-CG1 3.98Å; W204-V231 HydrophobicContact CG-CG1 4.36Å; W204-V231 HydrophobicContact CH2-CG1 4.19Å; W204-V231 HydrophobicContact CZ2-CG1 3.37Å; W204-V231 VanDerWaalsContact NE1-CG1 3.28Å; W204-M246 HydrophobicContact CD2-CE 3.59Å; W204-M246 VanDerWaalsContact CE2-CE 3.48Å; W204-M246 HydrophobicContact CE3-CE 4.26Å; W204-M246 HydrophobicContact CG-CE 3.71Å; W204-M246 HydrophobicContact CH2-CB 4.37Å; W204-M246 HydrophobicContact CZ2-CB 3.93Å; W204-M246 HydrophobicContact CZ2-CE 4.13Å; W204-V248 HydrophobicContact CH2-CG2 3.63Å; W204-V248 HydrophobicContact CZ2-CG2 3.96Å
205	T	93.5	Very high	92.4	Very high	59 Å²	59	52.7 Å²	52.7	36%	0.362	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-37.3	-173.3	-52.7	0	0	0	0	114.1	T76 S211	T76-T205 PolarHBondContact N-OG1 3.44Å; T76-T205 WeakPolarHBondContact O-CB 3.24Å; T76-T205 PolarHBondContact O-N 2.98Å; T76-T205 PolarHBondContact O-OG1 2.96Å; T205-S211 PolarHBondContact N-OG 3.48Å
206	K	90.5	Very high	91.8	Very high	85 Å²	85	60.6 Å²	60.6	37%	0.37	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	14.4	-176.8	-59.9	161.4	-176	155.3	0	112.6	D77 W204 K210 S211 E213	D77-K206 WeakPolarHBondContact OD1-CE 3.4Å; D77-K206 IonicContact OD1-NZ 2.72Å; D77-K206 PolarHBondContact OD1-NZ 3.39Å; D77-K206 IonicContact OD2-NZ 3.78Å; D77-K206 PolarHBondContact OD2-NZ 2.88Å; W204-K206 PolarHBondContact O-N 2.93Å; W204-K206 VanDerWaalsContact O-N 3.13Å; K206-K210 HydrophobicContact CB-CB 3.77Å; K206-K210 HydrophobicContact CD-CB 4.45Å; K206-K210 WeakPolarHBondContact CD-O 3.14Å; K206-S211 PolarHBondContact N-OG 3.22Å; K206-E213 VanDerWaalsContact NZ-CD 3.34Å; K206-E213 IonicContact NZ-OE1 2.83Å; K206-E213 PolarHBondContact NZ-OE1 3.32Å; K206-E213 IonicContact NZ-OE2 3.12Å
207	G	88.4	Confident	91	Very high	30 Å²	30	68.7 Å²	68.7	31%	0.309	35%	0.349	S	S	.	.			trans	76.2	167.5	-163.3	0	0	0	0	0	112.8	W204 E209 K210 S211	W204-G207 PolarHBondContact O-N 3.22Å; W204-G207 VanDerWaalsContact O-N 3.11Å; G207-E209 PolarHBondContact O-N 2.94Å; G207-K210 PolarHBondContact O-N 2.76Å; G207-S211 WeakPolarHBondContact O-CB 3.38Å; G207-S211 PolarHBondContact O-N 3.02Å
208	P	81.5	Confident	90.1	Very high	69 Å²	69	65.4 Å²	65.4	45%	0.448	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-54	-166.3	-27.6	35.6	0	0	0	114.3	K210 V231	P208-K210 VanDerWaalsContact C-N 3.34Å; P208-K210 PolarHBondContact O-N 3.24Å; P208-V231 HydrophobicContact CB-CB 3.98Å; P208-V231 HydrophobicContact CB-CG1 3.91Å; P208-V231 WeakPolarHBondContact O-CB 3.37Å; P208-V231 WeakPolarHBondContact O-CG1 3.35Å; P208-V231 WeakPolarHBondContact O-CG2 3.5Å
209	E	80	Confident	89.3	Confident	162 Å²	162	63.6 Å²	63.6	76%	0.757	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.3	-173.9	-63.3	168.6	-172.5	0	0	114	G207	G207-E209 PolarHBondContact O-N 2.94Å
210	K	90.1	Very high	88.5	Confident	140 Å²	140	64.2 Å²	64.2	61%	0.609	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-9.9	-168.5	-65.4	177.5	-175.8	173.4	0	113.7	K206 G207 P208 V212	K206-K210 HydrophobicContact CB-CB 3.77Å; K206-K210 HydrophobicContact CD-CB 4.45Å; K206-K210 WeakPolarHBondContact CD-O 3.14Å; G207-K210 PolarHBondContact O-N 2.76Å; P208-K210 VanDerWaalsContact C-N 3.34Å; P208-K210 PolarHBondContact O-N 3.24Å; K210-V212 VanDerWaalsContact C-N 3.33Å
211	S	92.2	Very high	88.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-85.8	-0	176.5	-102	0	0	0	0	114.4	T76 I78 T205 K206 G207	T76-S211 PolarHBondContact O-OG 3.07Å; T76-S211 VanDerWaalsContact O-OG 3.14Å; I78-S211 PolarHBondContact N-O 2.88Å; T205-S211 PolarHBondContact N-OG 3.48Å; K206-S211 PolarHBondContact N-OG 3.22Å; G207-S211 WeakPolarHBondContact O-CB 3.38Å; G207-S211 PolarHBondContact O-N 3.02Å
212	V	93.4	Very high	87.5	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	96	171.7	-175.4	0	0	0	0	109	I78 W204 K210 V214 Q229 V231 V248 F250	I78-V212 HydrophobicContact CB-CG2 4.48Å; I78-V212 CarbonylContact O-C 3.59Å; I78-V212 WeakPolarHBondContact O-CA 3.4Å; W204-V212 HydrophobicContact CH2-CG2 4.08Å; W204-V212 HydrophobicContact CZ3-CG2 4.12Å; K210-V212 VanDerWaalsContact C-N 3.33Å; V212-V214 HydrophobicContact CG1-CG2 4.31Å; V212-Q229 HydrophobicContact CB-CG 4.34Å; V212-Q229 HydrophobicContact CG1-CG 4.05Å; V212-Q229 PolarHBondContact O-NE2 3.34Å; V212-V231 HydrophobicContact CB-CG2 4.1Å; V212-V231 HydrophobicContact CG2-CG1 4.48Å; V212-V231 HydrophobicContact CG2-CG2 3.64Å; V212-V248 HydrophobicContact CG1-CG1 4.06Å; V212-V248 HydrophobicContact CG2-CG1 4.2Å; V212-V248 HydrophobicContact CG2-CG2 3.72Å; V212-F250 HydrophobicContact CG1-CE1 4.38Å; V212-F250 HydrophobicContact CG1-CZ 4.32Å
213	E	92.6	Very high	87.2	Confident	73 Å²	73	72.1 Å²	72.1	34%	0.341	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.5	179.9	-71.9	170.2	-176.9	0	0	109.8	I78 Y79 V80 K206	I78-E213 PolarHBondContact O-N 3.03Å; Y79-E213 HydrophobicContact CD2-CB 3.84Å; Y79-E213 WeakPolarHBondContact CD2-OE2 3.43Å; Y79-E213 HydrophobicContact CE2-CB 4.43Å; V80-E213 PolarHBondContact N-O 3.15Å; K206-E213 VanDerWaalsContact NZ-CD 3.34Å; K206-E213 IonicContact NZ-OE1 2.83Å; K206-E213 PolarHBondContact NZ-OE1 3.32Å; K206-E213 IonicContact NZ-OE2 3.12Å
214	V	91.6	Very high	87	Confident	35 Å²	35	70.3 Å²	70.3	21%	0.212	37%	0.368	C	S	.	.			trans	-120	104.9	173	-168.2	0	0	0	0	108.8	V80 V212 L226 F250	V80-V214 HydrophobicContact CB-CG1 4.31Å; V80-V214 HydrophobicContact CB-CG2 4.12Å; V80-V214 HydrophobicContact CG1-CG1 4.49Å; V80-V214 HydrophobicContact CG2-CG2 3.92Å; V212-V214 HydrophobicContact CG1-CG2 4.31Å; V214-L226 HydrophobicContact CG1-CD2 3.87Å; V214-F250 HydrophobicContact CG2-CE1 4.1Å
215	P	89.6	Confident	86.8	Confident	34 Å²	34	73 Å²	73	22%	0.221	38%	0.384	C	S	.	.			trans	-62.7	144.8	173.2	-20	32.1	0	0	0	111.3	Y79 V80 E217 S218	Y79-P215 HydrophobicContact CE1-CG 3.98Å; Y79-P215 HydrophobicContact CE2-CG 4.08Å; Y79-P215 VanDerWaalsContact OH-CG 3.23Å; Y79-P215 WeakPolarHBondContact OH-CG 3.38Å; V80-P215 WeakPolarHBondContact O-CD 3.42Å; P215-E217 PolarHBondContact O-N 3.09Å; P215-S218 WeakPolarHBondContact CD-OG 3.39Å; P215-S218 WeakPolarHBondContact O-CB 3.4Å; P215-S218 PolarHBondContact O-N 3.38Å
216	K	81.4	Confident	86.7	Confident	211 Å²	211	72 Å²	72	92%	0.917	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60.8	-30.4	177.3	-65.5	-175.2	178.3	-177.8	0	112.7	S218	K216-S218 VanDerWaalsContact C-N 3.27Å; K216-S218 PolarHBondContact O-N 2.94Å
217	E	80.4	Confident	86.7	Confident	193 Å²	193	71.4 Å²	71.4	90%	0.902	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-72.4	-16.1	176.5	-65.6	169.6	-156.5	0	0	113.4	P215 S219	P215-E217 PolarHBondContact O-N 3.09Å; E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 3.44Å
218	S	77.2	Confident	86.8	Confident	14 Å²	14	70.9 Å²	70.9	10%	0.098	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-82.3	-3.8	-176.9	-67.1	0	0	0	0	114.2	V80 T81 S82 F83 P215 K216 S220	V80-S218 PolarHBondContact O-OG 3.11Å; T81-S218 VanDerWaalsContact O-CB 3.23Å; T81-S218 WeakPolarHBondContact O-CB 3.45Å; T81-S218 PolarHBondContact O-OG 3.49Å; S82-S218 CarbonylContact C-O 3.42Å; S82-S218 WeakPolarHBondContact CA-O 3.47Å; F83-S218 PolarHBondContact N-O 2.85Å; P215-S218 WeakPolarHBondContact CD-OG 3.39Å; P215-S218 WeakPolarHBondContact O-CB 3.4Å; P215-S218 PolarHBondContact O-N 3.38Å; K216-S218 VanDerWaalsContact C-N 3.27Å; K216-S218 PolarHBondContact O-N 2.94Å; S218-S220 PolarHBondContact O-N 3.24Å
219	S	78.2	Confident	87.3	Confident	50 Å²	50	70.7 Å²	70.7	35%	0.35	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-80.2	104.3	175.5	-173.7	0	0	0	0	110.9	E217 L221	E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 3.44Å; S219-L221 VanDerWaalsContact C-N 3.31Å
220	S	78.9	Confident	87.9	Confident	70 Å²	70	66.6 Å²	66.6	49%	0.49	35%	0.35	S	S	.	.			trans	-93.9	15.5	171.9	75.2	0	0	0	0	113.3	F83 S218 V222	F83-S220 PolarHBondContact O-N 3.25Å; F83-S220 VanDerWaalsContact O-N 3.15Å; F83-S220 PolarHBondContact O-OG 3.42Å; S218-S220 PolarHBondContact O-N 3.24Å; S220-V222 PolarHBondContact O-N 3.44Å
221	L	85.4	Confident	88.1	Confident	12 Å²	12	61 Å²	61	6%	0.063	33%	0.328	C	S	.	.			trans	-75.4	108	-170.6	-70.3	170.2	0	0	0	113.5	F83 G84 V86 S219 Y224 L226 L252 K255	F83-L221 HydrophobicContact CD1-CD1 3.85Å; F83-L221 HydrophobicContact CD1-CD2 3.79Å; F83-L221 HydrophobicContact CD1-CG 3.97Å; F83-L221 HydrophobicContact CE1-CD1 4.33Å; F83-L221 HydrophobicContact CE1-CD2 4.17Å; F83-L221 HydrophobicContact CG-CD1 4.37Å; G84-L221 VanDerWaalsContact O-CD2 3.27Å; G84-L221 WeakPolarHBondContact O-CD2 3.31Å; V86-L221 HydrophobicContact CG2-CD2 3.67Å; S219-L221 VanDerWaalsContact C-N 3.31Å; L221-Y224 VanDerWaalsContact CB-O 3.22Å; L221-Y224 WeakPolarHBondContact CB-O 3.43Å; L221-L226 HydrophobicContact CD1-CB 3.99Å; L221-L252 HydrophobicContact CD1-CD2 3.8Å; L221-K255 PolarHBondContact O-NZ 3.33Å; L221-K255 VanDerWaalsContact O-NZ 3.09Å
222	V	85.4	Confident	88.1	Confident	123 Å²	123	63 Å²	63	75%	0.745	34%	0.342	S	S	*	.	S	Bend	trans	-77.9	-36	176.6	-70	0	0	0	0	114.2	S220 K255	S220-V222 PolarHBondContact O-N 3.44Å; V222-K255 WeakPolarHBondContact O-CD 3.29Å
223	Q	88.8	Confident	88.1	Confident	88 Å²	88	66.7 Å²	66.7	41%	0.411	37%	0.368	S	S	.	.	S	Bend	trans	-103.8	-9.4	-175.1	-74.9	165	-59.2	0	0	114.4	K255	Q223-K255 WeakPolarHBondContact O-CB 3.38Å; Q223-K255 PolarHBondContact O-N 3.39Å
224	Y	92.4	Very high	88.1	Confident	1 Å²	1	66 Å²	66	0%	0.004	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.2	-176	-74.1	-89.6	0	0	0	110.7	V86 D88 H184 L221 L252 R253 R254 K255	V86-Y224 HydrophobicContact CB-CD2 4.01Å; V86-Y224 HydrophobicContact CB-CE2 3.83Å; V86-Y224 HydrophobicContact CG1-CD2 4.22Å; V86-Y224 HydrophobicContact CG1-CE2 3.59Å; V86-Y224 HydrophobicContact CG2-CD2 4.28Å; V86-Y224 HydrophobicContact CG2-CE2 4.47Å; D88-Y224 PolarHBondContact OD1-OH 3.07Å; H184-Y224 PolarHBondContact CD2-OH 3.09Å; L221-Y224 VanDerWaalsContact CB-O 3.22Å; L221-Y224 WeakPolarHBondContact CB-O 3.43Å; Y224-L252 HydrophobicContact CD1-CB 3.73Å; Y224-L252 HydrophobicContact CE1-CB 4.2Å; Y224-L252 HydrophobicContact CG-CB 4.37Å; Y224-R253 CarbonylContact C-O 3.5Å; Y224-R253 VanDerWaalsContact CA-O 3.27Å; Y224-R253 WeakPolarHBondContact CA-O 3.3Å; Y224-R254 HydrophobicContact CD1-CB 4.29Å; Y224-R254 HydrophobicContact CE1-CB 4.18Å; Y224-R254 VanDerWaalsContact OH-CZ 3.26Å; Y224-R254 PolarHBondContact OH-NH1 2.86Å; Y224-R254 PolarHBondContact OH-NH2 3.39Å; Y224-K255 WeakPolarHBondContact O-CE 3.3Å; Y224-K255 PolarHBondContact O-NZ 3.33Å
225	D	91.2	Very high	88.3	Confident	83 Å²	83	67.3 Å²	67.3	44%	0.444	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.3	158.4	-72.9	-51.7	0	0	0	109.6	I227 L252 R253 K255	D225-I227 PolarHBondContact O-N 3.48Å; D225-L252 WeakPolarHBondContact O-CA 3.25Å; D225-R253 PolarHBondContact N-O 2.94Å; D225-R253 PolarHBondContact O-N 2.96Å; D225-K255 WeakPolarHBondContact OD1-CE 3.38Å; D225-K255 IonicContact OD1-NZ 2.79Å; D225-K255 PolarHBondContact OD1-NZ 2.88Å; D225-K255 WeakPolarHBondContact OD2-CE 3.38Å; D225-K255 IonicContact OD2-NZ 4Å
226	L	91.4	Very high	88.5	Confident	36 Å²	36	68.1 Å²	68.1	19%	0.188	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.2	168.1	176.7	64.5	0	0	0	108.1	F83 V214 L221 G228 F250 L252	F83-L226 HydrophobicContact CD2-CD2 4.27Å; V214-L226 HydrophobicContact CG1-CD2 3.87Å; L221-L226 HydrophobicContact CD1-CB 3.99Å; L226-G228 WeakPolarHBondContact CD1-O 3.37Å; L226-F250 HydrophobicContact CD1-CB 3.99Å; L226-F250 HydrophobicContact CD1-CD1 4.22Å; L226-L252 HydrophobicContact CB-CD2 4.14Å; L226-L252 HydrophobicContact CD1-CD2 3.76Å
227	I	90.1	Very high	89.1	Confident	74 Å²	74	65.6 Å²	65.6	38%	0.379	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-41.1	179.6	-48.6	170.1	0	0	0	110	D225 H251 R253	D225-I227 PolarHBondContact O-N 3.48Å; I227-H251 HydrophobicContact CB-CB 4.26Å; I227-H251 HydrophobicContact CD1-CB 4.32Å; I227-H251 PolarHBondContact N-O 3.49Å; I227-R253 HydrophobicContact CD1-CB 4.08Å; I227-R253 VanDerWaalsContact CD1-NH1 3.29Å; I227-R253 HydrophobicContact CG1-CB 4.29Å
228	G	90.8	Very high	89.7	Confident	19 Å²	19	58.9 Å²	58.9	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-166.1	-175.9	0	0	0	0	0	111.4	L226 H251	L226-G228 WeakPolarHBondContact CD1-O 3.37Å; G228-H251 PolarHBondContact O-N 2.84Å
229	Q	91.8	Very high	90.5	Very high	64 Å²	64	66.6 Å²	66.6	30%	0.299	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.4	-176	71.7	-74.8	7.1	0	0	112.2	V212 V248 Y249 F250	V212-Q229 HydrophobicContact CB-CG 4.34Å; V212-Q229 HydrophobicContact CG1-CG 4.05Å; V212-Q229 PolarHBondContact O-NE2 3.34Å; Q229-V248 HydrophobicContact CB-CG1 4.32Å; Q229-Y249 CarbonylContact C-O 3.56Å; Q229-Y249 WeakPolarHBondContact CA-O 3.38Å; Q229-F250 HydrophobicContact CB-CD1 3.98Å; Q229-F250 HydrophobicContact CB-CE1 4.19Å
230	T	93.7	Very high	91.3	Very high	76 Å²	76	68.9 Å²	68.9	47%	0.466	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.3	172.7	-55.7	0	0	0	0	109.2	Y249 H251	T230-Y249 PolarHBondContact N-O 2.72Å; T230-Y249 PolarHBondContact O-N 2.94Å; T230-H251 PolarHBondContact OG1-NE2 3.42Å
231	V	94.3	Very high	92	Very high	23 Å²	23	66.8 Å²	66.8	14%	0.139	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.5	-170.9	179.4	0	0	0	0	110.6	W204 P208 V212 V248	W204-V231 HydrophobicContact CD2-CG1 3.98Å; W204-V231 HydrophobicContact CG-CG1 4.36Å; W204-V231 HydrophobicContact CH2-CG1 4.19Å; W204-V231 HydrophobicContact CZ2-CG1 3.37Å; W204-V231 VanDerWaalsContact NE1-CG1 3.28Å; P208-V231 HydrophobicContact CB-CB 3.98Å; P208-V231 HydrophobicContact CB-CG1 3.91Å; P208-V231 WeakPolarHBondContact O-CB 3.37Å; P208-V231 WeakPolarHBondContact O-CG1 3.35Å; P208-V231 WeakPolarHBondContact O-CG2 3.5Å; V212-V231 HydrophobicContact CB-CG2 4.1Å; V212-V231 HydrophobicContact CG2-CG1 4.48Å; V212-V231 HydrophobicContact CG2-CG2 3.64Å; V231-V248 HydrophobicContact CG2-CG1 4.26Å; V231-V248 HydrophobicContact CG2-CG2 4.48Å
232	S	91.5	Very high	92.5	Very high	42 Å²	42	69.9 Å²	69.9	29%	0.294	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	169.8	-176.3	67.1	0	0	0	0	112.7	T247	S232-T247 PolarHBondContact N-O 2.76Å; S232-T247 PolarHBondContact O-N 3.01Å; S232-T247 PolarHBondContact OG-O 2.73Å
233	S	92.9	Very high	93	Very high	80 Å²	80	64.5 Å²	64.5	56%	0.559	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	128.6	173.3	56	0	0	0	0	109.2	V245	S233-V245 WeakPolarHBondContact CA-O 3.45Å
234	E	93.6	Very high	93.4	Very high	57 Å²	57	61.4 Å²	61.4	27%	0.266	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144	-174.7	62.9	-165.7	132.9	0	0	110.4	K189 I236 V245 T247	K189-E234 WeakPolarHBondContact CE-OE1 3.3Å; K189-E234 VanDerWaalsContact NZ-CD 3.3Å; K189-E234 IonicContact NZ-OE1 3.82Å; K189-E234 PolarHBondContact NZ-OE1 3.32Å; K189-E234 IonicContact NZ-OE2 3.46Å; K189-E234 PolarHBondContact NZ-OE2 2.94Å; K189-E234 VanDerWaalsContact NZ-OE2 3.09Å; E234-I236 HydrophobicContact CG-CD1 4.1Å; E234-I236 HydrophobicContact CG-CG1 3.92Å; E234-V245 HydrophobicContact CG-CB 3.89Å; E234-V245 HydrophobicContact CG-CG1 4.29Å; E234-V245 PolarHBondContact N-O 3.47Å; E234-V245 PolarHBondContact O-N 3.42Å; E234-T247 WeakPolarHBondContact OE1-CB 3.23Å; E234-T247 PolarHBondContact OE1-OG1 3.45Å
235	T	95.6	Very high	93.6	Very high	63 Å²	63	61.4 Å²	61.4	39%	0.387	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.1	169.3	-59.3	0	0	0	0	108.2	K197 E242 Y243 I244	K197-T235 HydrophobicContact CD-CG2 3.85Å; K197-T235 PolarHBondContact NZ-OG1 3.43Å; T235-E242 HydrophobicContact CG2-CB 4.04Å; T235-Y243 CarbonylContact C-O 3.57Å; T235-Y243 WeakPolarHBondContact CA-O 3.3Å; T235-I244 WeakPolarHBondContact OG1-CD1 3.49Å
236	I	94	Very high	93.8	Very high	51 Å²	51	57.5 Å²	57.5	26%	0.262	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.8	178.4	-57.2	-170.3	0	0	0	109.8	E234 Y243 V245	E234-I236 HydrophobicContact CG-CD1 4.1Å; E234-I236 HydrophobicContact CG-CG1 3.92Å; I236-Y243 PolarHBondContact N-O 3.03Å; I236-Y243 PolarHBondContact O-N 3.29Å; I236-V245 HydrophobicContact CB-CG2 4.3Å; I236-V245 HydrophobicContact CD1-CB 4.18Å; I236-V245 HydrophobicContact CD1-CG1 4.4Å; I236-V245 HydrophobicContact CD1-CG2 3.91Å; I236-V245 HydrophobicContact CG1-CB 4.33Å; I236-V245 HydrophobicContact CG1-CG2 4.01Å
237	K	94.6	Very high	94.1	Very high	159 Å²	159	55.8 Å²	55.8	69%	0.691	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.2	172.8	-168.1	163.2	-165	133.5	0	110.7	E242	K237-E242 HydrophobicContact CB-CG 4.14Å; K237-E242 HydrophobicContact CD-CG 4.28Å; K237-E242 HydrophobicContact CG-CG 3.94Å; K237-E242 IonicContact NZ-OE1 3.97Å; K237-E242 PolarHBondContact NZ-OE1 3.12Å
238	S	92.1	Very high	94.3	Very high	52 Å²	52	52.2 Å²	52.2	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	170.2	174.7	-175.2	0	0	0	0	109.7	T240 G241	S238-T240 PolarHBondContact O-N 3.12Å; S238-T240 PolarHBondContact OG-OG1 3.47Å; S238-G241 WeakPolarHBondContact CA-O 3.38Å; S238-G241 WeakPolarHBondContact CB-O 3.35Å; S238-G241 PolarHBondContact N-O 3Å; S238-G241 PolarHBondContact O-N 3.25Å
239	I	94.4	Very high	94.6	Very high	175 Å²	175	54.8 Å²	54.8	90%	0.897	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.3	170.4	61.9	174.5	0	0	0	112.7
240	T	94.1	Very high	94.7	Very high	99 Å²	99	51.7 Å²	51.7	61%	0.607	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-11.8	179.7	50.3	0	0	0	0	114.3	S238 Y243	S238-T240 PolarHBondContact O-N 3.12Å; S238-T240 PolarHBondContact OG-OG1 3.47Å; T240-Y243 VanDerWaalsContact OG1-CE2 3.29Å; T240-Y243 WeakPolarHBondContact OG1-CE2 3.5Å; T240-Y243 PolarHBondContact OG1-OH 3.07Å
241	G	93.7	Very high	94.7	Very high	25 Å²	25	50.3 Å²	50.3	26%	0.258	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.7	-174.6	-174.1	0	0	0	0	0	113.6	S238 Y243	S238-G241 WeakPolarHBondContact CA-O 3.38Å; S238-G241 WeakPolarHBondContact CB-O 3.35Å; S238-G241 PolarHBondContact N-O 3Å; S238-G241 PolarHBondContact O-N 3.25Å; G241-Y243 WeakPolarHBondContact O-CD2 3.15Å; G241-Y243 WeakPolarHBondContact O-CE2 3.2Å
242	E	96.5	Very high	94.7	Very high	78 Å²	78	49.3 Å²	49.3	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.3	176.6	-66	-177	-172.3	0	0	110.6	P196 K197 T235 K237	P196-E242 CarbonylContact C-O 3.58Å; P196-E242 WeakPolarHBondContact CA-O 3.47Å; P196-E242 WeakPolarHBondContact CB-O 3.46Å; K197-E242 VanDerWaalsContact CB-O 3.31Å; K197-E242 WeakPolarHBondContact CB-O 3.44Å; K197-E242 PolarHBondContact N-O 2.81Å; T235-E242 HydrophobicContact CG2-CB 4.04Å; K237-E242 HydrophobicContact CB-CG 4.14Å; K237-E242 HydrophobicContact CD-CG 4.28Å; K237-E242 HydrophobicContact CG-CG 3.94Å; K237-E242 IonicContact NZ-OE1 3.97Å; K237-E242 PolarHBondContact NZ-OE1 3.12Å
243	Y	96.6	Very high	94.7	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139	-174	-67	-97.9	0	0	0	110.8	S192 Y193 A194 Y195 T235 I236 T240 G241	S192-Y243 WeakPolarHBondContact O-CD1 3.34Å; Y193-Y243 WeakPolarHBondContact O-CE1 3.43Å; A194-Y243 WeakPolarHBondContact O-CE1 3.41Å; A194-Y243 PolarHBondContact O-OH 3.28Å; A194-Y243 VanDerWaalsContact O-OH 3.05Å; Y195-Y243 VanDerWaalsContact O-CD1 3.32Å; Y195-Y243 WeakPolarHBondContact O-CD1 3.48Å; Y195-Y243 WeakPolarHBondContact O-CE1 3.45Å; T235-Y243 CarbonylContact C-O 3.57Å; T235-Y243 WeakPolarHBondContact CA-O 3.3Å; I236-Y243 PolarHBondContact N-O 3.03Å; I236-Y243 PolarHBondContact O-N 3.29Å; T240-Y243 VanDerWaalsContact OG1-CE2 3.29Å; T240-Y243 WeakPolarHBondContact OG1-CE2 3.5Å; T240-Y243 PolarHBondContact OG1-OH 3.07Å; G241-Y243 WeakPolarHBondContact O-CD2 3.15Å; G241-Y243 WeakPolarHBondContact O-CE2 3.2Å
244	I	96.1	Very high	94.7	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.5	165.3	-58.9	-56.8	0	0	0	108.6	K197 I201 T235 M246	K197-I244 HydrophobicContact CB-CD1 4.49Å; K197-I244 HydrophobicContact CB-CG1 4.3Å; K197-I244 HydrophobicContact CD-CD1 3.67Å; K197-I244 HydrophobicContact CD-CG1 4.33Å; K197-I244 HydrophobicContact CG-CD1 3.89Å; K197-I244 HydrophobicContact CG-CG1 4.02Å; I201-I244 HydrophobicContact CB-CG1 4.36Å; I201-I244 HydrophobicContact CG2-CG1 4.11Å; T235-I244 WeakPolarHBondContact OG1-CD1 3.49Å; I244-M246 HydrophobicContact CG2-SD 4.01Å
245	V	96.8	Very high	94.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.1	173.7	178.6	0	0	0	0	108.4	K189 F190 S233 E234 I236	K189-V245 HydrophobicContact CB-CG1 4.09Å; K189-V245 HydrophobicContact CD-CG1 4.46Å; F190-V245 WeakPolarHBondContact O-CA 3.48Å; S233-V245 WeakPolarHBondContact CA-O 3.45Å; E234-V245 HydrophobicContact CG-CB 3.89Å; E234-V245 HydrophobicContact CG-CG1 4.29Å; E234-V245 PolarHBondContact N-O 3.47Å; E234-V245 PolarHBondContact O-N 3.42Å; I236-V245 HydrophobicContact CB-CG2 4.3Å; I236-V245 HydrophobicContact CD1-CB 4.18Å; I236-V245 HydrophobicContact CD1-CG1 4.4Å; I236-V245 HydrophobicContact CD1-CG2 3.91Å; I236-V245 HydrophobicContact CG1-CB 4.33Å; I236-V245 HydrophobicContact CG1-CG2 4.01Å
246	M	96.3	Very high	94.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.3	177.9	-55.3	-61.5	-92.3	0	0	107.6	K189 F190 Y202 W204 I244	K189-M246 WeakPolarHBondContact CA-O 3.23Å; F190-M246 HydrophobicContact CD1-CB 4.14Å; F190-M246 HydrophobicContact CD2-CB 3.96Å; F190-M246 HydrophobicContact CD2-CG 4.28Å; F190-M246 HydrophobicContact CE1-CB 3.66Å; F190-M246 HydrophobicContact CE2-CB 3.47Å; F190-M246 VanDerWaalsContact CE2-CB 3.47Å; F190-M246 HydrophobicContact CE2-CG 3.68Å; F190-M246 HydrophobicContact CG-CB 4.28Å; F190-M246 HydrophobicContact CZ-CB 3.32Å; F190-M246 HydrophobicContact CZ-CG 3.93Å; F190-M246 PolarHBondContact N-O 3.23Å; F190-M246 PolarHBondContact O-N 3.09Å; Y202-M246 VanDerWaalsContact CB-CG 3.44Å; Y202-M246 HydrophobicContact CG-CG 4.14Å; W204-M246 HydrophobicContact CD2-CE 3.59Å; W204-M246 VanDerWaalsContact CE2-CE 3.48Å; W204-M246 HydrophobicContact CE3-CE 4.26Å; W204-M246 HydrophobicContact CG-CE 3.71Å; W204-M246 HydrophobicContact CH2-CB 4.37Å; W204-M246 HydrophobicContact CZ2-CB 3.93Å; W204-M246 HydrophobicContact CZ2-CE 4.13Å; I244-M246 HydrophobicContact CG2-SD 4.01Å
247	T	96.1	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.9	-170.8	-71.1	0	0	0	0	110.3	P187 L188 K189 S232 E234 Y249	P187-T247 HydrophobicContact CB-CG2 4.45Å; L188-T247 WeakPolarHBondContact O-CA 3.41Å; K189-T247 HydrophobicContact CD-CG2 4.27Å; K189-T247 WeakPolarHBondContact CD-OG1 3.42Å; K189-T247 HydrophobicContact CG-CG2 4.03Å; K189-T247 WeakPolarHBondContact CG-OG1 3.41Å; S232-T247 PolarHBondContact N-O 2.76Å; S232-T247 PolarHBondContact O-N 3.01Å; S232-T247 PolarHBondContact OG-O 2.73Å; E234-T247 WeakPolarHBondContact OE1-CB 3.23Å; E234-T247 PolarHBondContact OE1-OG1 3.45Å; T247-Y249 HydrophobicContact CG2-CD2 3.82Å; T247-Y249 HydrophobicContact CG2-CE1 4.49Å; T247-Y249 HydrophobicContact CG2-CE2 3.31Å
248	V	95.8	Very high	94.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.7	174.3	-175.9	0	0	0	0	108.1	I78 P187 L188 W204 V212 Q229 V231 F250	I78-V248 HydrophobicContact CD1-CG2 4.48Å; P187-V248 CarbonylContact C-O 3.59Å; P187-V248 VanDerWaalsContact CA-O 3.31Å; P187-V248 WeakPolarHBondContact CA-O 3.47Å; L188-V248 HydrophobicContact CB-CB 4.39Å; L188-V248 PolarHBondContact N-O 2.95Å; L188-V248 PolarHBondContact O-N 2.83Å; W204-V248 HydrophobicContact CH2-CG2 3.63Å; W204-V248 HydrophobicContact CZ2-CG2 3.96Å; V212-V248 HydrophobicContact CG1-CG1 4.06Å; V212-V248 HydrophobicContact CG2-CG1 4.2Å; V212-V248 HydrophobicContact CG2-CG2 3.72Å; Q229-V248 HydrophobicContact CB-CG1 4.32Å; V231-V248 HydrophobicContact CG2-CG1 4.26Å; V231-V248 HydrophobicContact CG2-CG2 4.48Å; V248-F250 HydrophobicContact CB-CE2 3.93Å; V248-F250 HydrophobicContact CB-CZ 4.29Å; V248-F250 HydrophobicContact CG1-CD2 4.07Å; V248-F250 HydrophobicContact CG1-CE1 4.07Å; V248-F250 HydrophobicContact CG1-CE2 3.47Å; V248-F250 VanDerWaalsContact CG1-CE2 3.47Å; V248-F250 HydrophobicContact CG1-CZ 3.49Å; V248-F250 VanDerWaalsContact CG1-CZ 3.49Å
249	Y	95.5	Very high	94.2	Very high	72 Å²	72	42.3 Å²	42.3	28%	0.282	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123	172.3	-70.1	-86.7	0	0	0	109.4	A185 P187 Q229 T230 T247	A185-Y249 HydrophobicContact CB-CD1 4.12Å; P187-Y249 HydrophobicContact CB-CD1 4.09Å; P187-Y249 HydrophobicContact CB-CE1 3.93Å; Q229-Y249 CarbonylContact C-O 3.56Å; Q229-Y249 WeakPolarHBondContact CA-O 3.38Å; T230-Y249 PolarHBondContact N-O 2.72Å; T230-Y249 PolarHBondContact O-N 2.94Å; T247-Y249 HydrophobicContact CG2-CD2 3.82Å; T247-Y249 HydrophobicContact CG2-CE1 4.49Å; T247-Y249 HydrophobicContact CG2-CE2 3.31Å
250	F	94.4	Very high	94.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.4	173.4	-64.4	-86.6	0	0	0	109.2	V80 F83 M95 A185 C186 L188 V212 V214 L226 Q229 V248	V80-F250 HydrophobicContact CG2-CE1 4.23Å; V80-F250 HydrophobicContact CG2-CZ 4.22Å; F83-F250 HydrophobicContact CD2-CD1 4.27Å; F83-F250 HydrophobicContact CE2-CB 3.82Å; F83-F250 AromaticContact CE2-CD1 3.87Å; F83-F250 HydrophobicContact CE2-CD1 3.87Å; F83-F250 HydrophobicContact CE2-CD2 4.21Å; F83-F250 AromaticContact CE2-CG 3.7Å; F83-F250 HydrophobicContact CE2-CG 3.7Å; F83-F250 HydrophobicContact CZ-CB 4.31Å; M95-F250 HydrophobicContact CE-CD2 3.81Å; M95-F250 HydrophobicContact CE-CE1 4.11Å; M95-F250 HydrophobicContact CE-CE2 3.35Å; M95-F250 HydrophobicContact CE-CG 4.37Å; M95-F250 HydrophobicContact CE-CZ 3.51Å; M95-F250 HydrophobicContact SD-CE2 4.42Å; M95-F250 HydrophobicContact SD-CZ 4.47Å; A185-F250 CarbonylContact C-O 3.5Å; C186-F250 PolarHBondContact N-O 2.84Å; C186-F250 PolarHBondContact O-N 2.84Å; L188-F250 HydrophobicContact CB-CE2 3.98Å; L188-F250 HydrophobicContact CD2-CE2 4.46Å; V212-F250 HydrophobicContact CG1-CE1 4.38Å; V212-F250 HydrophobicContact CG1-CZ 4.32Å; V214-F250 HydrophobicContact CG2-CE1 4.1Å; L226-F250 HydrophobicContact CD1-CB 3.99Å; L226-F250 HydrophobicContact CD1-CD1 4.22Å; Q229-F250 HydrophobicContact CB-CD1 3.98Å; Q229-F250 HydrophobicContact CB-CE1 4.19Å; V248-F250 HydrophobicContact CB-CE2 3.93Å; V248-F250 HydrophobicContact CB-CZ 4.29Å; V248-F250 HydrophobicContact CG1-CD2 4.07Å; V248-F250 HydrophobicContact CG1-CE1 4.07Å; V248-F250 HydrophobicContact CG1-CE2 3.47Å; V248-F250 VanDerWaalsContact CG1-CE2 3.47Å; V248-F250 HydrophobicContact CG1-CZ 3.49Å; V248-F250 VanDerWaalsContact CG1-CZ 3.49Å
251	H	94.1	Very high	94.1	Very high	47 Å²	47	38 Å²	38	22%	0.218	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.4	-175	-64.1	-60.2	0	0	0	110.8	I227 G228 T230	I227-H251 HydrophobicContact CB-CB 4.26Å; I227-H251 HydrophobicContact CD1-CB 4.32Å; I227-H251 PolarHBondContact N-O 3.49Å; G228-H251 PolarHBondContact O-N 2.84Å; T230-H251 PolarHBondContact OG1-NE2 3.42Å
252	L	93.5	Very high	94.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.8	-178.8	-55	-179.7	0	0	0	110.3	F83 V86 G183 H184 C186 L221 Y224 D225 L226	F83-L252 HydrophobicContact CE1-CD1 4.31Å; F83-L252 HydrophobicContact CE1-CD2 4.27Å; F83-L252 HydrophobicContact CZ-CD1 4.29Å; F83-L252 HydrophobicContact CZ-CD2 4.2Å; V86-L252 HydrophobicContact CG2-CD1 3.89Å; G183-L252 CarbonylContact C-O 3.59Å; G183-L252 WeakPolarHBondContact CA-O 3.44Å; H184-L252 PolarHBondContact N-O 2.84Å; H184-L252 PolarHBondContact O-N 2.86Å; C186-L252 HydrophobicContact CB-CD1 4.5Å; L221-L252 HydrophobicContact CD1-CD2 3.8Å; Y224-L252 HydrophobicContact CD1-CB 3.73Å; Y224-L252 HydrophobicContact CE1-CB 4.2Å; Y224-L252 HydrophobicContact CG-CB 4.37Å; D225-L252 WeakPolarHBondContact O-CA 3.25Å; L226-L252 HydrophobicContact CB-CD2 4.14Å; L226-L252 HydrophobicContact CD1-CD2 3.76Å
253	R	92.1	Very high	94	Very high	55 Å²	55	38.6 Å²	38.6	21%	0.208	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.4	168.1	174.8	174.4	-71.5	112.5	5	110.1	Y224 D225 I227	Y224-R253 CarbonylContact C-O 3.5Å; Y224-R253 VanDerWaalsContact CA-O 3.27Å; Y224-R253 WeakPolarHBondContact CA-O 3.3Å; D225-R253 PolarHBondContact N-O 2.94Å; D225-R253 PolarHBondContact O-N 2.96Å; I227-R253 HydrophobicContact CD1-CB 4.08Å; I227-R253 VanDerWaalsContact CD1-NH1 3.29Å; I227-R253 HydrophobicContact CG1-CB 4.29Å
254	R	93.1	Very high	93.9	Very high	14 Å²	14	38.1 Å²	38.1	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	147.4	-177.2	-162.5	179.8	-59.6	-84	2	113	D88 F179 D182 H184 Y224 M256 F259	D88-R254 IonicContact OD1-CZ 3.44Å; D88-R254 VanDerWaalsContact OD1-CZ 3.32Å; D88-R254 IonicContact OD1-NH1 2.59Å; D88-R254 PolarHBondContact OD1-NH1 3.35Å; D88-R254 IonicContact OD1-NH2 3.93Å; D88-R254 PolarHBondContact OD1-NH2 2.86Å; D88-R254 IonicContact OD2-CZ 3.48Å; D88-R254 IonicContact OD2-NH1 3.59Å; D88-R254 PolarHBondContact OD2-NH1 3.2Å; F179-R254 VanDerWaalsContact CD2-CZ 3.48Å; F179-R254 VanDerWaalsContact CE2-CZ 3.42Å; D182-R254 PolarHBondContact O-N 2.93Å; D182-R254 WeakPolarHBondContact OD1-CD 3.37Å; D182-R254 IonicContact OD1-CZ 3.09Å; D182-R254 IonicContact OD1-NE 2.81Å; D182-R254 PolarHBondContact OD1-NE 3.43Å; D182-R254 IonicContact OD1-NH2 2.69Å; D182-R254 IonicContact OD2-CZ 2.67Å; D182-R254 IonicContact OD2-NE 3.68Å; D182-R254 PolarHBondContact OD2-NE 2.83Å; D182-R254 IonicContact OD2-NH2 2.71Å; D182-R254 PolarHBondContact OD2-NH2 3.27Å; H184-R254 PolarHBondContact NE2-NH2 2.69Å; Y224-R254 HydrophobicContact CD1-CB 4.29Å; Y224-R254 HydrophobicContact CE1-CB 4.18Å; Y224-R254 VanDerWaalsContact OH-CZ 3.26Å; Y224-R254 PolarHBondContact OH-NH1 2.86Å; Y224-R254 PolarHBondContact OH-NH2 3.39Å; R254-M256 PolarHBondContact O-N 2.89Å; R254-F259 HydrophobicContact CG-CE2 4.26Å
255	K	91.9	Very high	93.8	Very high	69 Å²	69	40.9 Å²	40.9	30%	0.3	20%	0.199	S	C	.	.			trans	-87	98.4	175.8	-74.9	170.9	170.8	149.2	0	111.5	L221 V222 Q223 Y224 D225 G257	L221-K255 PolarHBondContact O-NZ 3.33Å; L221-K255 VanDerWaalsContact O-NZ 3.09Å; V222-K255 WeakPolarHBondContact O-CD 3.29Å; Q223-K255 WeakPolarHBondContact O-CB 3.38Å; Q223-K255 PolarHBondContact O-N 3.39Å; Y224-K255 WeakPolarHBondContact O-CE 3.3Å; Y224-K255 PolarHBondContact O-NZ 3.33Å; D225-K255 WeakPolarHBondContact OD1-CE 3.38Å; D225-K255 IonicContact OD1-NZ 2.79Å; D225-K255 PolarHBondContact OD1-NZ 2.88Å; D225-K255 WeakPolarHBondContact OD2-CE 3.38Å; D225-K255 IonicContact OD2-NZ 4Å; K255-G257 VanDerWaalsContact C-N 3.28Å; K255-G257 PolarHBondContact O-N 3.33Å
256	M	90.6	Very high	93.8	Very high	38 Å²	38	42.6 Å²	42.6	19%	0.187	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.4	-177.2	-178.4	44	147.2	0	0	115	P180 M181 R254 Y258 F259 M260 Y264 W538	P180-M256 HydrophobicContact CB-SD 4.35Å; P180-M256 HydrophobicContact CG-CE 3.86Å; P180-M256 HydrophobicContact CG-SD 3.46Å; P180-M256 WeakPolarHBondContact CG-SD 3.16Å; M181-M256 HydrophobicContact CE-CE 4.03Å; M181-M256 HydrophobicContact CG-CE 3.93Å; M181-M256 HydrophobicContact SD-CE 3.76Å; R254-M256 PolarHBondContact O-N 2.89Å; M256-Y258 VanDerWaalsContact C-N 3.28Å; M256-Y258 PolarHBondContact O-N 3.21Å; M256-Y258 VanDerWaalsContact O-N 3.11Å; M256-F259 PolarHBondContact O-N 3.08Å; M256-F259 VanDerWaalsContact O-N 3.09Å; M256-F259 HydrophobicContact SD-CB 4.01Å; M256-M260 HydrophobicContact CE-CG 4.33Å; M256-M260 HydrophobicContact CE-SD 3.81Å; M256-M260 HydrophobicContact CG-CG 3.72Å; M256-M260 HydrophobicContact CG-SD 4.26Å; M256-M260 WeakPolarHBondContact O-CG 3.22Å; M256-M260 PolarHBondContact O-N 3Å; M256-M260 VanDerWaalsContact O-N 3.07Å; M256-M260 HydrophobicContact SD-CG 3.94Å; M256-M260 HydrophobicContact SD-SD 4.22Å; M256-Y264 HydrophobicContact CE-CD2 4.02Å; M256-Y264 HydrophobicContact CE-CE2 3.54Å; M256-Y264 HydrophobicContact SD-CE2 4.17Å; M256-W538 HydrophobicContact CE-CH2 3.8Å; M256-W538 HydrophobicContact CE-CZ3 3.63Å
257	G	91.2	Very high	93.8	Very high	48 Å²	48	42.5 Å²	42.5	50%	0.495	21%	0.21	S	C	.	.	H	α-helix	trans	-56	-33.1	-172.5	0	0	0	0	0	115.9	K255 I261	K255-G257 VanDerWaalsContact C-N 3.28Å; K255-G257 PolarHBondContact O-N 3.33Å; G257-I261 PolarHBondContact O-N 3.42Å
258	Y	92.4	Very high	93.8	Very high	125 Å²	125	44.3 Å²	44.3	49%	0.49	22%	0.219	S	C	.	.	H	α-helix	trans	-65.8	-50.6	175.6	174.5	-96.6	0	0	0	111.8	M256 M260 I261 Q262	M256-Y258 VanDerWaalsContact C-N 3.28Å; M256-Y258 PolarHBondContact O-N 3.21Å; M256-Y258 VanDerWaalsContact O-N 3.11Å; Y258-M260 VanDerWaalsContact C-N 3.33Å; Y258-M260 PolarHBondContact O-N 2.86Å; Y258-I261 PolarHBondContact O-N 2.76Å; Y258-Q262 HydrophobicContact CD2-CG 4.07Å; Y258-Q262 HydrophobicContact CE1-CB 4.45Å; Y258-Q262 HydrophobicContact CE1-CG 4.21Å; Y258-Q262 HydrophobicContact CE2-CG 3.74Å; Y258-Q262 HydrophobicContact CG-CG 4.45Å; Y258-Q262 WeakPolarHBondContact O-CB 3.43Å; Y258-Q262 WeakPolarHBondContact O-CG 3.33Å; Y258-Q262 PolarHBondContact O-N 3.23Å
259	F	93.1	Very high	93.8	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-33.3	-177.2	-58.3	-78.6	0	0	0	112.1	F179 P180 R254 M256 I261 T263 Y264	F179-F259 HydrophobicContact CE1-CD1 4.38Å; F179-F259 HydrophobicContact CE1-CE1 4.03Å; F179-F259 HydrophobicContact CE1-CZ 4.45Å; F179-F259 HydrophobicContact CE2-CE1 4.48Å; F179-F259 HydrophobicContact CE2-CZ 4.15Å; F179-F259 HydrophobicContact CZ-CD1 4.27Å; F179-F259 AromaticContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE2 4.43Å; F179-F259 AromaticContact CZ-CZ 3.6Å; F179-F259 HydrophobicContact CZ-CZ 3.6Å; P180-F259 HydrophobicContact CB-CB 4.35Å; P180-F259 HydrophobicContact CB-CD1 4.4Å; P180-F259 HydrophobicContact CB-CD2 3.55Å; P180-F259 HydrophobicContact CB-CE2 3.9Å; P180-F259 HydrophobicContact CB-CG 3.83Å; P180-F259 HydrophobicContact CB-CZ 4.46Å; P180-F259 HydrophobicContact CG-CB 3.89Å; P180-F259 HydrophobicContact CG-CD2 4.03Å; P180-F259 HydrophobicContact CG-CG 3.92Å; R254-F259 HydrophobicContact CG-CE2 4.26Å; M256-F259 PolarHBondContact O-N 3.08Å; M256-F259 VanDerWaalsContact O-N 3.09Å; M256-F259 HydrophobicContact SD-CB 4.01Å; F259-I261 VanDerWaalsContact C-N 3.34Å; F259-I261 PolarHBondContact O-N 2.93Å; F259-T263 WeakPolarHBondContact O-CA 3.02Å; F259-T263 WeakPolarHBondContact O-CB 3.3Å; F259-T263 PolarHBondContact O-N 3.26Å; F259-Y264 HydrophobicContact CB-CD2 4.4Å; F259-Y264 HydrophobicContact CB-CE2 4.2Å; F259-Y264 WeakPolarHBondContact O-CD2 3.38Å; F259-Y264 PolarHBondContact O-N 2.92Å; F259-Y264 VanDerWaalsContact O-N 3.09Å
260	M	92.7	Very high	93.9	Very high	66 Å²	66	46.4 Å²	46.4	33%	0.325	23%	0.233	S	C	.	.	I	π-helix	trans	-56.3	-47.4	172.8	-71	-64.9	-82.9	0	0	112	M256 Y258 Y264 I265 W538	M256-M260 HydrophobicContact CE-CG 4.33Å; M256-M260 HydrophobicContact CE-SD 3.81Å; M256-M260 HydrophobicContact CG-CG 3.72Å; M256-M260 HydrophobicContact CG-SD 4.26Å; M256-M260 WeakPolarHBondContact O-CG 3.22Å; M256-M260 PolarHBondContact O-N 3Å; M256-M260 VanDerWaalsContact O-N 3.07Å; M256-M260 HydrophobicContact SD-CG 3.94Å; M256-M260 HydrophobicContact SD-SD 4.22Å; Y258-M260 VanDerWaalsContact C-N 3.33Å; Y258-M260 PolarHBondContact O-N 2.86Å; M260-Y264 HydrophobicContact SD-CD2 4.09Å; M260-Y264 HydrophobicContact SD-CG 4.26Å; M260-I265 WeakPolarHBondContact O-CB 3.35Å; M260-I265 VanDerWaalsContact O-CG1 3.3Å; M260-I265 WeakPolarHBondContact O-CG1 3.36Å; M260-I265 PolarHBondContact O-N 3.09Å; M260-W538 HydrophobicContact CE-CH2 4.09Å; M260-W538 HydrophobicContact CE-CZ2 4.37Å; M260-W538 HydrophobicContact SD-CH2 3.43Å; M260-W538 WeakPolarHBondContact SD-CH2 3.5Å; M260-W538 HydrophobicContact SD-CZ2 4.13Å; M260-W538 HydrophobicContact SD-CZ3 4.02Å
261	I	94.2	Very high	94	Very high	116 Å²	116	46.4 Å²	46.4	60%	0.595	23%	0.233	S	C	*	.	I	π-helix	trans	-80.2	-38.1	-175.5	-62.3	172.2	0	0	0	111.9	G257 Y258 F259 P266	G257-I261 PolarHBondContact O-N 3.42Å; Y258-I261 PolarHBondContact O-N 2.76Å; F259-I261 VanDerWaalsContact C-N 3.34Å; F259-I261 PolarHBondContact O-N 2.93Å; I261-P266 WeakPolarHBondContact O-CD 2.91Å; I261-P266 WeakPolarHBondContact O-CG 3.47Å
262	Q	92.9	Very high	94	Very high	107 Å²	107	47.9 Å²	47.9	50%	0.5	24%	0.242	S	C	.	.	I	π-helix	trans	-86.9	-25.4	-175.7	-66.2	-70.7	-0.7	0	0	114.3	Y258	Y258-Q262 HydrophobicContact CD2-CG 4.07Å; Y258-Q262 HydrophobicContact CE1-CB 4.45Å; Y258-Q262 HydrophobicContact CE1-CG 4.21Å; Y258-Q262 HydrophobicContact CE2-CG 3.74Å; Y258-Q262 HydrophobicContact CG-CG 4.45Å; Y258-Q262 WeakPolarHBondContact O-CB 3.43Å; Y258-Q262 WeakPolarHBondContact O-CG 3.33Å; Y258-Q262 PolarHBondContact O-N 3.23Å
263	T	93.8	Very high	94	Very high	9 Å²	9	52 Å²	52	6%	0.055	26%	0.263	C	S	.	.	I	π-helix	trans	-124.9	-60.4	-172	-49	0	0	0	0	112.4	F259 C267 A306 M319 I323	F259-T263 WeakPolarHBondContact O-CA 3.02Å; F259-T263 WeakPolarHBondContact O-CB 3.3Å; F259-T263 PolarHBondContact O-N 3.26Å; T263-C267 VanDerWaalsContact O-CB 3.29Å; T263-C267 WeakPolarHBondContact O-CB 3.37Å; T263-C267 PolarHBondContact O-N 3.41Å; T263-C267 PolarHBondContact O-SG 2.87Å; T263-A306 HydrophobicContact CG2-CB 3.95Å; T263-M319 HydrophobicContact CG2-CG 4.21Å; T263-M319 HydrophobicContact CG2-SD 4.01Å; T263-I323 HydrophobicContact CG2-CD1 3.94Å; T263-I323 HydrophobicContact CG2-CG1 4.28Å
264	Y	94.9	Very high	94.1	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.254	C	S	.	.	I	π-helix	trans	-66.2	-50.5	-171.9	-68.8	-85.7	0	0	0	112.5	P180 M256 F259 M260 C267 I268 F322 Y537 W538	P180-Y264 VanDerWaalsContact CD-OH 3.29Å; P180-Y264 WeakPolarHBondContact CD-OH 3.45Å; P180-Y264 HydrophobicContact CG-CE2 4.09Å; M256-Y264 HydrophobicContact CE-CD2 4.02Å; M256-Y264 HydrophobicContact CE-CE2 3.54Å; M256-Y264 HydrophobicContact SD-CE2 4.17Å; F259-Y264 HydrophobicContact CB-CD2 4.4Å; F259-Y264 HydrophobicContact CB-CE2 4.2Å; F259-Y264 WeakPolarHBondContact O-CD2 3.38Å; F259-Y264 PolarHBondContact O-N 2.92Å; F259-Y264 VanDerWaalsContact O-N 3.09Å; M260-Y264 HydrophobicContact SD-CD2 4.09Å; M260-Y264 HydrophobicContact SD-CG 4.26Å; Y264-C267 PolarHBondContact O-N 2.87Å; Y264-I268 WeakPolarHBondContact O-CB 3.46Å; Y264-I268 WeakPolarHBondContact O-CD1 3.31Å; Y264-I268 VanDerWaalsContact O-CG1 3.23Å; Y264-I268 WeakPolarHBondContact O-CG1 3.25Å; Y264-I268 PolarHBondContact O-N 2.75Å; Y264-F322 AromaticContact CD1-CD1 3.52Å; Y264-F322 HydrophobicContact CD1-CD1 3.52Å; Y264-F322 HydrophobicContact CD1-CD2 4.05Å; Y264-F322 AromaticContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE2 4.07Å; Y264-F322 AromaticContact CD1-CG 3.79Å; Y264-F322 HydrophobicContact CD1-CG 3.79Å; Y264-F322 AromaticContact CD1-CZ 3.83Å; Y264-F322 HydrophobicContact CD1-CZ 3.83Å; Y264-F322 HydrophobicContact CE1-CB 3.94Å; Y264-F322 AromaticContact CE1-CD1 3.7Å; Y264-F322 HydrophobicContact CE1-CD1 3.7Å; Y264-F322 AromaticContact CE1-CD2 3.94Å; Y264-F322 HydrophobicContact CE1-CD2 3.94Å; Y264-F322 HydrophobicContact CE1-CE1 4.19Å; Y264-F322 HydrophobicContact CE1-CE2 4.41Å; Y264-F322 AromaticContact CE1-CG 3.56Å; Y264-F322 HydrophobicContact CE1-CG 3.56Å; Y264-F322 HydrophobicContact CG-CE1 4.43Å; Y264-Y537 AromaticContact CE1-CE1 3.76Å; Y264-Y537 HydrophobicContact CE1-CE1 3.76Å; Y264-Y537 AromaticContact CE1-CZ 3.99Å; Y264-Y537 PolarHBondContact OH-OH 3.13Å; Y264-W538 AromaticContact CD1-CH2 3.51Å; Y264-W538 HydrophobicContact CD1-CH2 3.51Å; Y264-W538 AromaticContact CD1-CZ2 3.53Å; Y264-W538 HydrophobicContact CD1-CZ2 3.53Å; Y264-W538 HydrophobicContact CD2-CH2 4.14Å; Y264-W538 AromaticContact CE1-CH2 3.79Å; Y264-W538 HydrophobicContact CE1-CH2 3.79Å; Y264-W538 HydrophobicContact CE1-CZ2 4.12Å; Y264-W538 HydrophobicContact CE2-CH2 4.39Å; Y264-W538 AromaticContact CG-CH2 3.72Å; Y264-W538 HydrophobicContact CG-CH2 3.72Å; Y264-W538 AromaticContact CG-CZ2 3.92Å; Y264-W538 HydrophobicContact CG-CZ2 3.92Å
265	I	95.6	Very high	94.1	Very high	80 Å²	80	49.5 Å²	49.5	41%	0.41	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-48.5	179.6	-69.5	167.7	0	0	0	111.5	M260 C267 I268 M269	M260-I265 WeakPolarHBondContact O-CB 3.35Å; M260-I265 VanDerWaalsContact O-CG1 3.3Å; M260-I265 WeakPolarHBondContact O-CG1 3.36Å; M260-I265 PolarHBondContact O-N 3.09Å; I265-C267 PolarHBondContact O-N 2.85Å; I265-I268 PolarHBondContact O-N 3.22Å; I265-M269 HydrophobicContact CG2-CG 4.28Å; I265-M269 WeakPolarHBondContact O-CB 3.48Å; I265-M269 VanDerWaalsContact O-CG 3.27Å; I265-M269 WeakPolarHBondContact O-CG 3.39Å; I265-M269 PolarHBondContact O-N 2.81Å
266	P	96.5	Very high	94	Very high	36 Å²	36	49.1 Å²	49.1	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-40.2	175	-29.7	38.4	0	0	0	114.5	I261 T270 L302	I261-P266 WeakPolarHBondContact O-CD 2.91Å; I261-P266 WeakPolarHBondContact O-CG 3.47Å; P266-T270 WeakPolarHBondContact O-CB 3.44Å; P266-T270 PolarHBondContact O-N 3.31Å; P266-T270 PolarHBondContact O-OG1 2.87Å; P266-L302 HydrophobicContact CB-CD1 3.82Å; P266-L302 HydrophobicContact CB-CD2 3.72Å; P266-L302 HydrophobicContact CB-CG 4.46Å
267	C	96.5	Very high	94	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-46.7	175.1	-75.1	0	0	0	0	111.7	T263 Y264 I265 M269 T270 V271 M299 F322 C326	T263-C267 VanDerWaalsContact O-CB 3.29Å; T263-C267 WeakPolarHBondContact O-CB 3.37Å; T263-C267 PolarHBondContact O-N 3.41Å; T263-C267 PolarHBondContact O-SG 2.87Å; Y264-C267 PolarHBondContact O-N 2.87Å; I265-C267 PolarHBondContact O-N 2.85Å; C267-M269 PolarHBondContact O-N 2.04Å; C267-T270 PolarHBondContact O-N 2.97Å; C267-V271 WeakPolarHBondContact O-CG2 3.43Å; C267-V271 PolarHBondContact O-N 2.87Å; C267-M299 HydrophobicContact CB-CE 4.31Å; C267-M299 HydrophobicContact CB-SD 4.46Å; C267-F322 HydrophobicContact CB-CE1 4Å; C267-C326 HydrophobicContact CB-CB 4.47Å
268	I	96.3	Very high	94	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.195	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-47.6	176.5	-71	165.6	0	0	0	110.9	Y264 I265 T270 V271 I272 F322 F530	Y264-I268 WeakPolarHBondContact O-CB 3.46Å; Y264-I268 WeakPolarHBondContact O-CD1 3.31Å; Y264-I268 VanDerWaalsContact O-CG1 3.23Å; Y264-I268 WeakPolarHBondContact O-CG1 3.25Å; Y264-I268 PolarHBondContact O-N 2.75Å; I265-I268 PolarHBondContact O-N 3.22Å; I268-T270 VanDerWaalsContact C-N 3.32Å; I268-T270 PolarHBondContact O-N 3.36Å; I268-V271 PolarHBondContact O-N 2.92Å; I268-I272 HydrophobicContact CG2-CD1 3.85Å; I268-I272 WeakPolarHBondContact O-CG1 3.31Å; I268-I272 PolarHBondContact O-N 2.69Å; I268-F322 HydrophobicContact CD1-CZ 4.06Å; I268-F322 HydrophobicContact CG1-CE1 4.32Å; I268-F322 HydrophobicContact CG1-CZ 3.77Å; I268-F530 HydrophobicContact CG1-CZ 4.16Å; I268-F530 HydrophobicContact CG2-CE1 4.29Å
269	M	95.5	Very high	93.9	Very high	107 Å²	107	45.9 Å²	45.9	53%	0.527	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-37.1	177.7	-67.9	-64.8	176.7	0	0	112.1	I265 C267 I272 L273	I265-M269 HydrophobicContact CG2-CG 4.28Å; I265-M269 WeakPolarHBondContact O-CB 3.48Å; I265-M269 VanDerWaalsContact O-CG 3.27Å; I265-M269 WeakPolarHBondContact O-CG 3.39Å; I265-M269 PolarHBondContact O-N 2.81Å; C267-M269 PolarHBondContact O-N 2.04Å; M269-I272 PolarHBondContact O-N 2.99Å; M269-L273 WeakPolarHBondContact O-CB 3.44Å; M269-L273 VanDerWaalsContact O-CG 3.27Å; M269-L273 WeakPolarHBondContact O-CG 3.39Å; M269-L273 PolarHBondContact O-N 3.22Å
270	T	96.2	Very high	93.7	Very high	9 Å²	9	47 Å²	47	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-38.3	177.4	-55.1	0	0	0	0	112	P266 C267 I268 L273 S274 T295 T298 M299	P266-T270 WeakPolarHBondContact O-CB 3.44Å; P266-T270 PolarHBondContact O-N 3.31Å; P266-T270 PolarHBondContact O-OG1 2.87Å; C267-T270 PolarHBondContact O-N 2.97Å; I268-T270 VanDerWaalsContact C-N 3.32Å; I268-T270 PolarHBondContact O-N 3.36Å; T270-L273 PolarHBondContact O-N 3.45Å; T270-S274 PolarHBondContact O-N 3.45Å; T270-T295 HydrophobicContact CG2-CG2 4.35Å; T270-T298 HydrophobicContact CG2-CG2 3.83Å; T270-M299 HydrophobicContact CG2-CG 3.71Å; T270-M299 HydrophobicContact CG2-SD 3.77Å
271	V	96.4	Very high	93.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-41.7	172.3	175.7	0	0	0	0	111.3	C267 I268 S274 Q275 C326 F329 V330 F530	C267-V271 WeakPolarHBondContact O-CG2 3.43Å; C267-V271 PolarHBondContact O-N 2.87Å; I268-V271 PolarHBondContact O-N 2.92Å; V271-S274 PolarHBondContact O-N 2.88Å; V271-S274 PolarHBondContact O-OG 3.09Å; V271-Q275 WeakPolarHBondContact O-CG 3.48Å; V271-Q275 PolarHBondContact O-N 3.3Å; V271-C326 HydrophobicContact CG2-CB 3.65Å; V271-F329 HydrophobicContact CG1-CB 3.95Å; V271-F329 HydrophobicContact CG1-CG 4.45Å; V271-F329 HydrophobicContact CG2-CB 4.49Å; V271-V330 HydrophobicContact CB-CG2 4.43Å; V271-V330 HydrophobicContact CG2-CG2 3.94Å; V271-F530 HydrophobicContact CB-CD1 4.47Å; V271-F530 HydrophobicContact CB-CE1 3.93Å; V271-F530 HydrophobicContact CB-CE2 4.11Å; V271-F530 HydrophobicContact CB-CZ 3.72Å; V271-F530 HydrophobicContact CG1-CD1 3.74Å; V271-F530 HydrophobicContact CG1-CD2 3.8Å; V271-F530 HydrophobicContact CG1-CE1 3.7Å; V271-F530 HydrophobicContact CG1-CE2 3.76Å; V271-F530 HydrophobicContact CG1-CG 3.79Å; V271-F530 HydrophobicContact CG1-CZ 3.71Å; V271-F530 HydrophobicContact CG2-CE2 3.99Å; V271-F530 HydrophobicContact CG2-CZ 3.93Å
272	I	94.6	Very high	93.1	Very high	77 Å²	77	44.3 Å²	44.3	40%	0.395	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-43	175.6	-67.5	165.7	0	0	0	110.4	I268 M269 S274 Q275 V276	I268-I272 HydrophobicContact CG2-CD1 3.85Å; I268-I272 WeakPolarHBondContact O-CG1 3.31Å; I268-I272 PolarHBondContact O-N 2.69Å; M269-I272 PolarHBondContact O-N 2.99Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.82Å; I272-Q275 WeakPolarHBondContact O-CB 3.47Å; I272-Q275 PolarHBondContact O-N 2.65Å; I272-Q275 VanDerWaalsContact O-N 3.12Å; I272-V276 PolarHBondContact O-N 3.11Å
273	L	93.8	Very high	92.6	Very high	89 Å²	89	44.3 Å²	44.3	47%	0.466	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-34.5	177	-75.6	170.8	0	0	0	113.4	M269 T270 Q275 V276 T295	M269-L273 WeakPolarHBondContact O-CB 3.44Å; M269-L273 VanDerWaalsContact O-CG 3.27Å; M269-L273 WeakPolarHBondContact O-CG 3.39Å; M269-L273 PolarHBondContact O-N 3.22Å; T270-L273 PolarHBondContact O-N 3.45Å; L273-Q275 VanDerWaalsContact C-N 3.32Å; L273-V276 PolarHBondContact O-N 3.2Å; L273-T295 HydrophobicContact CB-CG2 4.18Å
274	S	94.3	Very high	92.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-34.4	174.8	76.4	0	0	0	0	111.6	T270 V271 I272 V276 S277	T270-S274 PolarHBondContact O-N 3.45Å; V271-S274 PolarHBondContact O-N 2.88Å; V271-S274 PolarHBondContact O-OG 3.09Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.82Å; S274-V276 PolarHBondContact O-N 3.33Å; S274-S277 WeakPolarHBondContact O-CB 3.36Å; S274-S277 PolarHBondContact O-N 3.04Å; S274-S277 PolarHBondContact O-OG 2.99Å
275	Q	92	Very high	92.2	Very high	13 Å²	13	48.5 Å²	48.5	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-67.9	-31.4	176.7	-62.7	173.6	20	0	0	112.6	V271 I272 L273 S277 F278 W279 F526	V271-Q275 WeakPolarHBondContact O-CG 3.48Å; V271-Q275 PolarHBondContact O-N 3.3Å; I272-Q275 WeakPolarHBondContact O-CB 3.47Å; I272-Q275 PolarHBondContact O-N 2.65Å; I272-Q275 VanDerWaalsContact O-N 3.12Å; L273-Q275 VanDerWaalsContact C-N 3.32Å; Q275-S277 PolarHBondContact O-N 3.15Å; Q275-F278 HydrophobicContact CB-CD2 4.14Å; Q275-F278 HydrophobicContact CB-CE2 3.99Å; Q275-F278 HydrophobicContact CG-CE2 3.99Å; Q275-F278 WeakPolarHBondContact O-CB 3.29Å; Q275-F278 WeakPolarHBondContact O-CD2 3.32Å; Q275-F278 WeakPolarHBondContact O-CG 3.47Å; Q275-F278 PolarHBondContact O-N 2.8Å; Q275-W279 HydrophobicContact CB-CZ3 4.42Å; Q275-W279 VanDerWaalsContact O-CE3 3.23Å; Q275-W279 VanDerWaalsContact O-CZ3 3.22Å; Q275-W279 WeakPolarHBondContact O-CZ3 3.39Å; Q275-F526 HydrophobicContact CG-CB 4.1Å
276	V	91.3	Very high	92.1	Very high	62 Å²	62	49.4 Å²	49.4	38%	0.376	26%	0.26	S	S	.	.	H	α-helix	trans	-53.3	-29.9	175.1	177.4	0	0	0	0	112	I272 L273 S274 F278 W279	I272-V276 PolarHBondContact O-N 3.11Å; L273-V276 PolarHBondContact O-N 3.2Å; S274-V276 PolarHBondContact O-N 3.33Å; V276-F278 PolarHBondContact O-N 3.41Å; V276-F278 VanDerWaalsContact O-N 3.15Å; V276-W279 PolarHBondContact O-N 3.47Å
277	S	90.4	Very high	91.9	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.028	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-58	-26.6	176.7	73.8	0	0	0	0	114.2	S274 Q275 W279 I280 R288	S274-S277 WeakPolarHBondContact O-CB 3.36Å; S274-S277 PolarHBondContact O-N 3.04Å; S274-S277 PolarHBondContact O-OG 2.99Å; Q275-S277 PolarHBondContact O-N 3.15Å; S277-W279 PolarHBondContact O-N 2.67Å; S277-I280 WeakPolarHBondContact O-CB 3.12Å; S277-I280 PolarHBondContact O-N 2.78Å; S277-I280 VanDerWaalsContact O-N 3.16Å; S277-R288 PolarHBondContact O-NE 2.97Å
278	F	91.4	Very high	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-70.1	-18.9	177	-50.4	-39.6	0	0	0	113.2	Q275 V276 A333 E336 A522 R523 F526	Q275-F278 HydrophobicContact CB-CD2 4.14Å; Q275-F278 HydrophobicContact CB-CE2 3.99Å; Q275-F278 HydrophobicContact CG-CE2 3.99Å; Q275-F278 WeakPolarHBondContact O-CB 3.29Å; Q275-F278 WeakPolarHBondContact O-CD2 3.32Å; Q275-F278 WeakPolarHBondContact O-CG 3.47Å; Q275-F278 PolarHBondContact O-N 2.8Å; V276-F278 PolarHBondContact O-N 3.41Å; V276-F278 VanDerWaalsContact O-N 3.15Å; F278-A333 HydrophobicContact CE1-CB 4.03Å; F278-A333 HydrophobicContact CZ-CB 3.8Å; F278-E336 HydrophobicContact CD1-CG 4.26Å; F278-E336 WeakPolarHBondContact CD1-OE2 3.39Å; F278-E336 HydrophobicContact CE1-CB 4Å; F278-E336 HydrophobicContact CE1-CG 3.76Å; F278-E336 WeakPolarHBondContact CE1-OE2 3.45Å; F278-A522 HydrophobicContact CD1-CB 4Å; F278-A522 HydrophobicContact CD2-CB 3.98Å; F278-A522 HydrophobicContact CE1-CB 4.11Å; F278-A522 HydrophobicContact CE2-CB 4.08Å; F278-A522 HydrophobicContact CG-CB 3.95Å; F278-A522 HydrophobicContact CZ-CB 4.15Å; F278-R523 HydrophobicContact CB-CG 3.8Å; F278-R523 VanDerWaalsContact O-CZ 3.22Å; F278-R523 PolarHBondContact O-NE 3.33Å; F278-R523 PolarHBondContact O-NH2 2.74Å; F278-F526 HydrophobicContact CE2-CB 3.77Å; F278-F526 AromaticContact CE2-CD1 3.95Å; F278-F526 HydrophobicContact CE2-CD1 3.95Å; F278-F526 AromaticContact CE2-CD2 3.81Å; F278-F526 HydrophobicContact CE2-CD2 3.81Å; F278-F526 HydrophobicContact CE2-CE1 4.45Å; F278-F526 HydrophobicContact CE2-CE2 4.33Å; F278-F526 AromaticContact CE2-CG 3.59Å; F278-F526 HydrophobicContact CE2-CG 3.59Å; F278-F526 HydrophobicContact CZ-CB 4.45Å; F278-F526 AromaticContact CZ-CD1 3.8Å; F278-F526 HydrophobicContact CZ-CD1 3.8Å; F278-F526 AromaticContact CZ-CD2 3.83Å; F278-F526 HydrophobicContact CZ-CD2 3.83Å; F278-F526 AromaticContact CZ-CE1 3.85Å; F278-F526 HydrophobicContact CZ-CE1 3.85Å; F278-F526 AromaticContact CZ-CE2 3.88Å; F278-F526 HydrophobicContact CZ-CE2 3.88Å; F278-F526 AromaticContact CZ-CG 3.79Å; F278-F526 HydrophobicContact CZ-CG 3.79Å; F278-F526 AromaticContact CZ-CZ 3.88Å; F278-F526 HydrophobicContact CZ-CZ 3.88Å
279	W	89.7	Confident	91.5	Very high	138 Å²	138	50.1 Å²	50.1	52%	0.523	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-83.5	-15.7	173.9	-76.3	-98.6	0	0	0	112.9	Q275 V276 S277 R523	Q275-W279 HydrophobicContact CB-CZ3 4.42Å; Q275-W279 VanDerWaalsContact O-CE3 3.23Å; Q275-W279 VanDerWaalsContact O-CZ3 3.22Å; Q275-W279 WeakPolarHBondContact O-CZ3 3.39Å; V276-W279 PolarHBondContact O-N 3.47Å; S277-W279 PolarHBondContact O-N 2.67Å; W279-R523 HydrophobicContact CD2-CG 4.2Å; W279-R523 HydrophobicContact CE3-CG 4.36Å; W279-R523 HydrophobicContact CH2-CB 4.5Å; W279-R523 HydrophobicContact CH2-CG 4.33Å; W279-R523 HydrophobicContact CZ2-CB 4.36Å; W279-R523 HydrophobicContact CZ2-CG 4.15Å; W279-R523 HydrophobicContact CZ3-CG 4.43Å
280	I	89.5	Confident	91.5	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.169	27%	0.27	C	S	.	.	S	Bend	trans	-76.5	132.6	177.8	-54.5	178	0	0	0	110.2	S277 K282 A287 R288 F291	S277-I280 WeakPolarHBondContact O-CB 3.12Å; S277-I280 PolarHBondContact O-N 2.78Å; S277-I280 VanDerWaalsContact O-N 3.16Å; I280-K282 PolarHBondContact O-N 2.92Å; I280-A287 HydrophobicContact CG2-CB 4.37Å; I280-R288 HydrophobicContact CB-CG 3.92Å; I280-R288 HydrophobicContact CD1-CG 4.37Å; I280-R288 HydrophobicContact CG2-CG 3.98Å; I280-R288 PolarHBondContact O-NH1 2.99Å; I280-F291 HydrophobicContact CD1-CD2 3.62Å; I280-F291 HydrophobicContact CD1-CE2 3.77Å; I280-F291 HydrophobicContact CD1-CG 4.44Å
281	N	87.6	Confident	91.2	Very high	87 Å²	87	52.7 Å²	52.7	47%	0.465	28%	0.284	S	S	.	.			trans	-51.8	135.5	175.9	-71.3	-32.9	0	0	0	111.5	E283 S284	N281-E283 PolarHBondContact O-N 2.93Å; N281-S284 WeakPolarHBondContact O-CB 3.32Å; N281-S284 PolarHBondContact O-N 2.8Å
282	K	85.5	Confident	91	Very high	39 Å²	39	52.9 Å²	52.9	17%	0.17	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.3	-177.4	70.5	-160.1	164.4	-165.3	0	114.4	I280 S284 V340 T344 S513 G514 T515	I280-K282 PolarHBondContact O-N 2.92Å; K282-S284 VanDerWaalsContact C-N 3.33Å; K282-V340 HydrophobicContact CB-CG1 3.76Å; K282-T344 HydrophobicContact CD-CG2 4.31Å; K282-T344 HydrophobicContact CG-CG2 4.33Å; K282-S513 WeakPolarHBondContact CE-O 3.34Å; K282-S513 PolarHBondContact NZ-O 3.27Å; K282-G514 VanDerWaalsContact CD-O 3.31Å; K282-G514 WeakPolarHBondContact CD-O 3.42Å; K282-G514 VanDerWaalsContact CE-O 3.27Å; K282-G514 WeakPolarHBondContact CE-O 3.14Å; K282-G514 VanDerWaalsContact CG-O 3.31Å; K282-G514 WeakPolarHBondContact CG-O 3.2Å; K282-G514 PolarHBondContact N-O 3.09Å; K282-T515 PolarHBondContact NZ-O 2.86Å
283	E	82.5	Confident	91.1	Very high	107 Å²	107	53.9 Å²	53.9	50%	0.5	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-23.1	177.8	-68.4	162.8	-155.9	0	0	112.3	N281 V285	N281-E283 PolarHBondContact O-N 2.93Å; E283-V285 PolarHBondContact O-N 3.35Å
284	S	89.3	Confident	91.1	Very high	51 Å²	51	53.2 Å²	53.2	36%	0.357	29%	0.291	S	S	.	.			trans	-81.8	50.1	178.4	-52	0	0	0	0	112.1	N281 K282 P286 A287 R288	N281-S284 WeakPolarHBondContact O-CB 3.32Å; N281-S284 PolarHBondContact O-N 2.8Å; K282-S284 VanDerWaalsContact C-N 3.33Å; S284-P286 VanDerWaalsContact C-CD 3.43Å; S284-P286 VanDerWaalsContact C-N 3.35Å; S284-A287 WeakPolarHBondContact O-CB 3.46Å; S284-A287 PolarHBondContact O-N 2.59Å; S284-R288 PolarHBondContact O-N 2.83Å
285	V	90.7	Very high	91.2	Very high	47 Å²	47	53.5 Å²	53.5	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-47.5	-45.9	-177	-177.3	0	0	0	0	113	E283 A287 R288 T289 F337	E283-V285 PolarHBondContact O-N 3.35Å; V285-A287 VanDerWaalsContact C-N 3.32Å; V285-A287 PolarHBondContact O-N 3.04Å; V285-R288 PolarHBondContact O-N 2.84Å; V285-T289 PolarHBondContact O-N 2.87Å; V285-T289 PolarHBondContact O-OG1 2.89Å; V285-F337 HydrophobicContact CG1-CE2 4.26Å; V285-F337 HydrophobicContact CG1-CZ 3.84Å
286	P	93.6	Very high	91.4	Very high	98 Å²	98	54.2 Å²	54.2	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-61.2	-37.4	179.2	-23.1	35.1	0	0	0	113.6	S284 V290	S284-P286 VanDerWaalsContact C-CD 3.43Å; S284-P286 VanDerWaalsContact C-N 3.35Å; P286-V290 WeakPolarHBondContact O-CG2 3.46Å; P286-V290 PolarHBondContact O-N 3.17Å; P286-V290 VanDerWaalsContact O-N 3.07Å
287	A	92.6	Very high	91.7	Very high	38 Å²	38	56.4 Å²	56.4	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-47.6	-179.3	0	0	0	0	0	111.3	I280 S284 V285 T289 V290 F291	I280-A287 HydrophobicContact CG2-CB 4.37Å; S284-A287 WeakPolarHBondContact O-CB 3.46Å; S284-A287 PolarHBondContact O-N 2.59Å; V285-A287 VanDerWaalsContact C-N 3.32Å; V285-A287 PolarHBondContact O-N 3.04Å; A287-T289 PolarHBondContact O-N 2.92Å; A287-V290 PolarHBondContact O-N 2.83Å; A287-F291 WeakPolarHBondContact O-CD2 3.35Å; A287-F291 PolarHBondContact O-N 2.92Å
288	R	92.3	Very high	92	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-37.9	178.1	-72.3	178.6	74.5	157.6	-7.3	112.2	S277 I280 S284 V285 V290 G292 E336 F337 D519	S277-R288 PolarHBondContact O-NE 2.97Å; I280-R288 HydrophobicContact CB-CG 3.92Å; I280-R288 HydrophobicContact CD1-CG 4.37Å; I280-R288 HydrophobicContact CG2-CG 3.98Å; I280-R288 PolarHBondContact O-NH1 2.99Å; S284-R288 PolarHBondContact O-N 2.83Å; V285-R288 PolarHBondContact O-N 2.84Å; R288-V290 PolarHBondContact O-N 2.68Å; R288-G292 PolarHBondContact O-N 2.88Å; R288-E336 IonicContact CZ-OE2 3.22Å; R288-E336 IonicContact NH2-OE1 2.86Å; R288-E336 PolarHBondContact NH2-OE1 3.12Å; R288-E336 IonicContact NH2-OE2 3.27Å; R288-E336 PolarHBondContact NH2-OE2 3.29Å; R288-F337 HydrophobicContact CB-CD1 4.4Å; R288-F337 HydrophobicContact CB-CD2 3.43Å; R288-F337 VanDerWaalsContact CB-CD2 3.43Å; R288-F337 HydrophobicContact CB-CE1 4.43Å; R288-F337 HydrophobicContact CB-CE2 3.47Å; R288-F337 VanDerWaalsContact CB-CE2 3.47Å; R288-F337 HydrophobicContact CB-CG 3.91Å; R288-F337 HydrophobicContact CB-CZ 3.98Å; R288-F337 HydrophobicContact CG-CD2 4.27Å; R288-F337 HydrophobicContact CG-CE2 4.48Å; R288-D519 IonicContact CZ-OD1 3.48Å; R288-D519 VanDerWaalsContact CZ-OD1 3.22Å; R288-D519 IonicContact NH1-OD1 2.89Å; R288-D519 PolarHBondContact NH1-OD1 2.89Å; R288-D519 IonicContact NH1-OD2 2.86Å; R288-D519 PolarHBondContact NH1-OD2 3.49Å; R288-D519 IonicContact NH2-OD1 2.83Å; R288-D519 PolarHBondContact NH2-OD1 3.48Å
289	T	92.9	Very high	92.2	Very high	50 Å²	50	58.7 Å²	58.7	31%	0.307	32%	0.321	S	S	.	.	H	α-helix	trans	-57.1	-48.4	171.2	-59.9	0	0	0	0	111.8	V285 A287 G292 I293 F337	V285-T289 PolarHBondContact O-N 2.87Å; V285-T289 PolarHBondContact O-OG1 2.89Å; A287-T289 PolarHBondContact O-N 2.92Å; T289-G292 PolarHBondContact O-N 2.67Å; T289-I293 HydrophobicContact CG2-CD1 3.68Å; T289-I293 HydrophobicContact CG2-CG1 4.47Å; T289-I293 WeakPolarHBondContact O-CB 3.46Å; T289-I293 WeakPolarHBondContact O-CG1 3.35Å; T289-I293 PolarHBondContact O-N 3.29Å; T289-F337 WeakPolarHBondContact OG1-CE1 3.37Å; T289-F337 VanDerWaalsContact OG1-CZ 3.24Å; T289-F337 WeakPolarHBondContact OG1-CZ 3.39Å
290	V	94.2	Very high	92.5	Very high	89 Å²	89	54.6 Å²	54.6	54%	0.539	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-48.6	-179.6	170.3	0	0	0	0	111.3	P286 A287 R288 G292 I293 T294	P286-V290 WeakPolarHBondContact O-CG2 3.46Å; P286-V290 PolarHBondContact O-N 3.17Å; P286-V290 VanDerWaalsContact O-N 3.07Å; A287-V290 PolarHBondContact O-N 2.83Å; R288-V290 PolarHBondContact O-N 2.68Å; V290-G292 VanDerWaalsContact C-N 3.33Å; V290-G292 PolarHBondContact O-N 2.81Å; V290-I293 PolarHBondContact O-N 3.32Å; V290-T294 VanDerWaalsContact O-CB 3.25Å; V290-T294 WeakPolarHBondContact O-CB 3.38Å; V290-T294 PolarHBondContact O-N 3.3Å; V290-T294 PolarHBondContact O-OG1 2.79Å; V290-T294 VanDerWaalsContact O-OG1 3.12Å
291	F	91.5	Very high	92.8	Very high	81 Å²	81	57.1 Å²	57.1	36%	0.355	33%	0.328	S	S	.	.	H	α-helix	trans	-57.1	-44.2	176.9	-89.9	-79.7	0	0	0	112.5	I280 A287 T295	I280-F291 HydrophobicContact CD1-CD2 3.62Å; I280-F291 HydrophobicContact CD1-CE2 3.77Å; I280-F291 HydrophobicContact CD1-CG 4.44Å; A287-F291 WeakPolarHBondContact O-CD2 3.35Å; A287-F291 PolarHBondContact O-N 2.92Å; F291-T295 WeakPolarHBondContact O-CB 3.37Å; F291-T295 WeakPolarHBondContact O-CG2 3.41Å; F291-T295 PolarHBondContact O-N 2.76Å; F291-T295 VanDerWaalsContact O-N 3.08Å; F291-T295 PolarHBondContact O-OG1 3.3Å
292	G	92.4	Very high	93.1	Very high	4 Å²	4	54.5 Å²	54.5	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-46.8	179	0	0	0	0	0	113.3	R288 T289 V290 T295 V296	R288-G292 PolarHBondContact O-N 2.88Å; T289-G292 PolarHBondContact O-N 2.67Å; V290-G292 VanDerWaalsContact C-N 3.33Å; V290-G292 PolarHBondContact O-N 2.81Å; G292-T295 PolarHBondContact O-OG1 2.77Å; G292-V296 WeakPolarHBondContact O-CG2 3.36Å; G292-V296 PolarHBondContact O-N 2.91Å
293	I	94.8	Very high	93.5	Very high	99 Å²	99	54.4 Å²	54.4	51%	0.508	32%	0.318	S	S	.	.	H	α-helix	trans	-69.5	-43	-179.4	-66	174.9	0	0	0	111.2	T289 V290 V296 L297 L334	T289-I293 HydrophobicContact CG2-CD1 3.68Å; T289-I293 HydrophobicContact CG2-CG1 4.47Å; T289-I293 WeakPolarHBondContact O-CB 3.46Å; T289-I293 WeakPolarHBondContact O-CG1 3.35Å; T289-I293 PolarHBondContact O-N 3.29Å; V290-I293 PolarHBondContact O-N 3.32Å; I293-V296 PolarHBondContact O-N 3.39Å; I293-L297 PolarHBondContact O-N 2.85Å; I293-L334 HydrophobicContact CG1-CD1 4.46Å
294	T	95.8	Very high	94.1	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.454	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-40.8	179.8	-64.7	0	0	0	0	111.8	V290 L297 T298	V290-T294 VanDerWaalsContact O-CB 3.25Å; V290-T294 WeakPolarHBondContact O-CB 3.38Å; V290-T294 PolarHBondContact O-N 3.3Å; V290-T294 PolarHBondContact O-OG1 2.79Å; V290-T294 VanDerWaalsContact O-OG1 3.12Å; T294-L297 PolarHBondContact O-N 3.22Å; T294-T298 PolarHBondContact O-N 2.94Å; T294-T298 PolarHBondContact O-OG1 2.95Å; T294-T298 VanDerWaalsContact O-OG1 3.07Å
295	T	95.7	Very high	94.2	Very high	8 Å²	8	55 Å²	55	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-67.9	-36.8	178.1	49.5	0	0	0	0	112.8	T270 L273 F291 G292 T298 M299	T270-T295 HydrophobicContact CG2-CG2 4.35Å; L273-T295 HydrophobicContact CB-CG2 4.18Å; F291-T295 WeakPolarHBondContact O-CB 3.37Å; F291-T295 WeakPolarHBondContact O-CG2 3.41Å; F291-T295 PolarHBondContact O-N 2.76Å; F291-T295 VanDerWaalsContact O-N 3.08Å; F291-T295 PolarHBondContact O-OG1 3.3Å; G292-T295 PolarHBondContact O-OG1 2.77Å; T295-T298 PolarHBondContact O-N 3.13Å; T295-M299 PolarHBondContact O-N 3.14Å
296	V	96.3	Very high	94.2	Very high	29 Å²	29	53 Å²	53	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-42.5	170.6	173	0	0	0	0	111.2	G292 I293 M299 T300 F327 V330 L334	G292-V296 WeakPolarHBondContact O-CG2 3.36Å; G292-V296 PolarHBondContact O-N 2.91Å; I293-V296 PolarHBondContact O-N 3.39Å; V296-M299 PolarHBondContact O-N 2.72Å; V296-T300 PolarHBondContact O-N 2.84Å; V296-T300 PolarHBondContact O-OG1 2.83Å; V296-F327 HydrophobicContact CG1-CE2 4.4Å; V296-F327 HydrophobicContact CG1-CZ 4.1Å; V296-V330 HydrophobicContact CB-CG1 4.46Å; V296-V330 HydrophobicContact CG2-CG1 3.79Å; V296-L334 HydrophobicContact CG2-CD2 4.46Å
297	L	96.7	Very high	94	Very high	107 Å²	107	53.2 Å²	53.2	56%	0.56	30%	0.302	S	S	*	.	H	α-helix	trans	-63.3	-45.3	176.2	-179.2	61.1	0	0	0	111.6	I293 T294 M299 T300 T301	I293-L297 PolarHBondContact O-N 2.85Å; T294-L297 PolarHBondContact O-N 3.22Å; L297-M299 PolarHBondContact O-N 3.34Å; L297-T300 WeakPolarHBondContact O-CB 3.35Å; L297-T300 PolarHBondContact O-N 3.15Å; L297-T300 VanDerWaalsContact O-N 3.11Å; L297-T301 PolarHBondContact O-N 3Å; L297-T301 PolarHBondContact O-OG1 3.43Å
298	T	96.5	Very high	93.7	Very high	53 Å²	53	58.5 Å²	58.5	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-46.2	175.7	-59.6	0	0	0	0	111.8	T270 T294 T295 T300 T301 L302	T270-T298 HydrophobicContact CG2-CG2 3.83Å; T294-T298 PolarHBondContact O-N 2.94Å; T294-T298 PolarHBondContact O-OG1 2.95Å; T294-T298 VanDerWaalsContact O-OG1 3.07Å; T295-T298 PolarHBondContact O-N 3.13Å; T298-T300 VanDerWaalsContact C-N 3.27Å; T298-T300 PolarHBondContact O-N 2.85Å; T298-T301 PolarHBondContact O-N 2.97Å; T298-L302 HydrophobicContact CG2-CD1 4.13Å; T298-L302 HydrophobicContact CG2-CG 4.47Å; T298-L302 WeakPolarHBondContact O-CG 3.35Å; T298-L302 PolarHBondContact O-N 3.01Å
299	M	95.7	Very high	93.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-36.5	174.3	-75.9	-55	-53	0	0	112.6	C267 T270 T295 V296 L297 L302 S303 I323 C326 F327 V330	C267-M299 HydrophobicContact CB-CE 4.31Å; C267-M299 HydrophobicContact CB-SD 4.46Å; T270-M299 HydrophobicContact CG2-CG 3.71Å; T270-M299 HydrophobicContact CG2-SD 3.77Å; T295-M299 PolarHBondContact O-N 3.14Å; V296-M299 PolarHBondContact O-N 2.72Å; L297-M299 PolarHBondContact O-N 3.34Å; M299-L302 HydrophobicContact SD-CD1 4.48Å; M299-S303 VanDerWaalsContact O-CB 3.27Å; M299-S303 WeakPolarHBondContact O-CB 3.47Å; M299-S303 PolarHBondContact O-N 3.11Å; M299-I323 HydrophobicContact CE-CG2 4.5Å; M299-C326 HydrophobicContact CE-CB 3.54Å; M299-C326 HydrophobicContact SD-CB 4.36Å; M299-F327 HydrophobicContact CB-CD2 3.84Å; M299-F327 HydrophobicContact CB-CE2 4.4Å; M299-V330 HydrophobicContact CG-CB 4.1Å; M299-V330 HydrophobicContact CG-CG1 4.19Å; M299-V330 HydrophobicContact CG-CG2 3.76Å; M299-V330 HydrophobicContact SD-CG2 4.45Å
300	T	96.1	Very high	92.8	Very high	51 Å²	51	58.8 Å²	58.8	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-45.8	175.6	-52.7	0	0	0	0	110.9	V296 L297 T298 S303 I304	V296-T300 PolarHBondContact O-N 2.84Å; V296-T300 PolarHBondContact O-OG1 2.83Å; L297-T300 WeakPolarHBondContact O-CB 3.35Å; L297-T300 PolarHBondContact O-N 3.15Å; L297-T300 VanDerWaalsContact O-N 3.11Å; T298-T300 VanDerWaalsContact C-N 3.27Å; T298-T300 PolarHBondContact O-N 2.85Å; T300-S303 PolarHBondContact O-N 2.85Å; T300-I304 HydrophobicContact CG2-CD1 4.07Å; T300-I304 WeakPolarHBondContact O-CG1 3.37Å; T300-I304 PolarHBondContact O-N 2.88Å; T300-I304 VanDerWaalsContact O-N 3.07Å
301	T	96	Very high	92.7	Very high	86 Å²	86	55.1 Å²	55.1	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-44.6	176.5	-56.3	0	0	0	0	112.3	L297 T298 I304 S305	L297-T301 PolarHBondContact O-N 3Å; L297-T301 PolarHBondContact O-OG1 3.43Å; T298-T301 PolarHBondContact O-N 2.97Å; T301-I304 PolarHBondContact O-N 3.03Å; T301-S305 WeakPolarHBondContact O-CB 3.3Å; T301-S305 PolarHBondContact O-N 2.67Å
302	L	94.9	Very high	92.6	Very high	32 Å²	32	61.7 Å²	61.7	17%	0.168	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-42.7	177.4	-69.8	173.6	0	0	0	111.9	P266 T298 M299 S305 A306	P266-L302 HydrophobicContact CB-CD1 3.82Å; P266-L302 HydrophobicContact CB-CD2 3.72Å; P266-L302 HydrophobicContact CB-CG 4.46Å; T298-L302 HydrophobicContact CG2-CD1 4.13Å; T298-L302 HydrophobicContact CG2-CG 4.47Å; T298-L302 WeakPolarHBondContact O-CG 3.35Å; T298-L302 PolarHBondContact O-N 3.01Å; M299-L302 HydrophobicContact SD-CD1 4.48Å; L302-S305 PolarHBondContact O-N 3.4Å; L302-A306 WeakPolarHBondContact O-CB 3.38Å; L302-A306 PolarHBondContact O-N 3.15Å
303	S	93.9	Very high	92.6	Very high	38 Å²	38	62.9 Å²	62.9	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-47.4	176.4	-177.4	0	0	0	0	112.3	M299 T300 A306 R307	M299-S303 VanDerWaalsContact O-CB 3.27Å; M299-S303 WeakPolarHBondContact O-CB 3.47Å; M299-S303 PolarHBondContact O-N 3.11Å; T300-S303 PolarHBondContact O-N 2.85Å; S303-A306 PolarHBondContact O-N 2.78Å; S303-R307 WeakPolarHBondContact O-CG 3.37Å; S303-R307 PolarHBondContact O-N 2.86Å; S303-R307 VanDerWaalsContact O-N 3.09Å
304	I	93.7	Very high	92.5	Very high	92 Å²	92	64.3 Å²	64.3	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-46.4	176.3	-67.8	166	0	0	0	110.5	T300 T301 A306 R307 H308	T300-I304 HydrophobicContact CG2-CD1 4.07Å; T300-I304 WeakPolarHBondContact O-CG1 3.37Å; T300-I304 PolarHBondContact O-N 2.88Å; T300-I304 VanDerWaalsContact O-N 3.07Å; T301-I304 PolarHBondContact O-N 3.03Å; I304-A306 PolarHBondContact O-N 3.06Å; I304-R307 PolarHBondContact O-N 3.37Å; I304-H308 WeakPolarHBondContact CG2-NE2 3.39Å; I304-H308 PolarHBondContact O-CD2 2.87Å; I304-H308 PolarHBondContact O-N 3.28Å
305	S	92.1	Very high	92.4	Very high	77 Å²	77	64.7 Å²	64.7	54%	0.538	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-41.9	-179.3	-166.8	0	0	0	0	112.5	T301 L302 H308	T301-S305 WeakPolarHBondContact O-CB 3.3Å; T301-S305 PolarHBondContact O-N 2.67Å; L302-S305 PolarHBondContact O-N 3.4Å; S305-H308 PolarHBondContact O-N 3.09Å
306	A	91	Very high	92.2	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-67.1	-36.3	177.1	0	0	0	0	0	112.6	T263 L302 S303 I304 H308 S309 M319 I323	T263-A306 HydrophobicContact CG2-CB 3.95Å; L302-A306 WeakPolarHBondContact O-CB 3.38Å; L302-A306 PolarHBondContact O-N 3.15Å; S303-A306 PolarHBondContact O-N 2.78Å; I304-A306 PolarHBondContact O-N 3.06Å; A306-H308 VanDerWaalsContact C-N 3.31Å; A306-H308 PolarHBondContact O-N 3.32Å; A306-S309 PolarHBondContact O-N 3.1Å; A306-M319 HydrophobicContact CB-CE 3.77Å; A306-M319 HydrophobicContact CB-SD 4.07Å; A306-I323 HydrophobicContact CB-CD1 3.67Å
307	R	88.3	Confident	92.1	Very high	104 Å²	104	65.1 Å²	65.1	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-66.1	-27.7	175.8	-79	-64.9	-160.4	-169.2	-3.6	114	S303 I304 S309 L310 D320	S303-R307 WeakPolarHBondContact O-CG 3.37Å; S303-R307 PolarHBondContact O-N 2.86Å; S303-R307 VanDerWaalsContact O-N 3.09Å; I304-R307 PolarHBondContact O-N 3.37Å; R307-S309 PolarHBondContact O-N 3.45Å; R307-L310 PolarHBondContact O-N 2.78Å; R307-D320 IonicContact CZ-OD1 2.77Å; R307-D320 IonicContact CZ-OD2 3.8Å; R307-D320 IonicContact NE-OD1 2.72Å; R307-D320 PolarHBondContact NE-OD1 2.86Å; R307-D320 IonicContact NH1-OD1 3.64Å; R307-D320 PolarHBondContact NH1-OD1 2.61Å; R307-D320 IonicContact NH1-OD2 3.96Å; R307-D320 PolarHBondContact NH1-OD2 3.27Å; R307-D320 IonicContact NH2-OD1 3.7Å; R307-D320 PolarHBondContact NH2-OD1 3.05Å; R307-D320 VanDerWaalsContact NH2-OD1 3.12Å; R307-D320 IonicContact NH2-OD2 2.87Å; R307-D320 PolarHBondContact NH2-OD2 2.79Å
308	H	86.8	Confident	92	Very high	149 Å²	149	60 Å²	60	69%	0.69	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.2	177.5	-76.8	-65.3	0	0	0	114	I304 S305 A306 L310	I304-H308 WeakPolarHBondContact CG2-NE2 3.39Å; I304-H308 PolarHBondContact O-CD2 2.87Å; I304-H308 PolarHBondContact O-N 3.28Å; S305-H308 PolarHBondContact O-N 3.09Å; A306-H308 VanDerWaalsContact C-N 3.31Å; A306-H308 PolarHBondContact O-N 3.32Å; H308-L310 VanDerWaalsContact C-N 3.34Å
309	S	80.5	Confident	91.8	Very high	45 Å²	45	57.5 Å²	57.5	32%	0.315	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.2	176.3	-56.4	0	0	0	0	114.2	A306 R307	A306-S309 PolarHBondContact O-N 3.1Å; R307-S309 PolarHBondContact O-N 3.45Å
310	L	85.8	Confident	91.7	Very high	11 Å²	11	58.2 Å²	58.2	6%	0.058	32%	0.318	C	S	.	.	S	Bend	trans	-125.2	150.1	-173.8	-85	172.7	0	0	0	112.7	L176 F179 R307 H308 T317 M319	L176-L310 HydrophobicContact CD1-CD2 4.15Å; F179-L310 HydrophobicContact CD1-CD1 3.95Å; F179-L310 HydrophobicContact CD1-CD2 3.81Å; F179-L310 HydrophobicContact CD1-CG 4.21Å; F179-L310 HydrophobicContact CD2-CD2 3.72Å; F179-L310 HydrophobicContact CE1-CD1 3.82Å; F179-L310 HydrophobicContact CE1-CD2 3.69Å; F179-L310 HydrophobicContact CE1-CG 3.78Å; F179-L310 HydrophobicContact CE2-CD2 3.55Å; F179-L310 HydrophobicContact CE2-CG 4.37Å; F179-L310 HydrophobicContact CG-CD2 3.84Å; F179-L310 HydrophobicContact CZ-CD1 4.41Å; F179-L310 HydrophobicContact CZ-CD2 3.54Å; F179-L310 HydrophobicContact CZ-CG 3.86Å; R307-L310 PolarHBondContact O-N 2.78Å; H308-L310 VanDerWaalsContact C-N 3.34Å; L310-T317 HydrophobicContact CD1-CG2 4.31Å; L310-M319 HydrophobicContact CD1-CE 3.61Å
311	P	91.4	Very high	91.6	Very high	12 Å²	12	63 Å²	63	8%	0.078	33%	0.33	C	S	.	.			trans	-58.8	156.5	159.2	26.4	-35	0	0	0	111.3	D88 M91 L176 V313	D88-P311 WeakPolarHBondContact O-CD 3.44Å; D88-P311 VanDerWaalsContact O-CG 3.24Å; D88-P311 WeakPolarHBondContact O-CG 3.36Å; M91-P311 HydrophobicContact CE-CG 4.38Å; L176-P311 HydrophobicContact CD1-CG 3.26Å; P311-V313 HydrophobicContact CG-CG1 4.2Å; P311-V313 PolarHBondContact O-N 3.33Å
312	K	90.4	Very high	91.6	Very high	220 Å²	220	58.9 Å²	58.9	96%	0.957	31%	0.305	S	S	*	.			trans	-77	67.6	176.7	-65.8	176.1	-179.2	173.4	0	111.5
313	V	91.5	Very high	91.6	Very high	28 Å²	28	57.7 Å²	57.7	17%	0.17	30%	0.299	C	S	.	.			trans	-66.8	145.8	172.6	-69.4	0	0	0	0	111.4	L176 P311 Y315 T317	L176-V313 HydrophobicContact CD1-CG1 4.45Å; P311-V313 HydrophobicContact CG-CG1 4.2Å; P311-V313 PolarHBondContact O-N 3.33Å; V313-Y315 VanDerWaalsContact C-N 3.33Å; V313-Y315 HydrophobicContact CB-CD1 4.19Å; V313-Y315 HydrophobicContact CB-CD2 4.37Å; V313-Y315 HydrophobicContact CB-CE1 3.93Å; V313-Y315 HydrophobicContact CB-CE2 4.12Å; V313-Y315 HydrophobicContact CB-CG 4.41Å; V313-Y315 HydrophobicContact CG1-CE1 3.97Å; V313-Y315 HydrophobicContact CG1-CE2 4.22Å; V313-Y315 HydrophobicContact CG2-CD2 4.38Å; V313-Y315 HydrophobicContact CG2-CE2 4.24Å; V313-Y315 WeakPolarHBondContact CG2-O 3.32Å; V313-T317 HydrophobicContact CG2-CG2 4.13Å
314	S	92.6	Very high	91.7	Very high	129 Å²	129	58.5 Å²	58.5	90%	0.902	31%	0.307	S	S	*	.	S	Bend	trans	-85.9	-2.7	178.9	52.9	0	0	0	0	114.1
315	Y	93.7	Very high	91.8	Very high	82 Å²	82	56 Å²	56	32%	0.322	30%	0.297	S	S	.	.	S	Bend	trans	-113.8	155.1	178.8	53.7	-97.7	0	0	0	111.2	L176 V177 V313	L176-Y315 PolarHBondContact N-OH 2.72Å; V177-Y315 HydrophobicContact CB-CE2 4.48Å; V177-Y315 HydrophobicContact CG2-CD2 4.02Å; V177-Y315 HydrophobicContact CG2-CE2 3.71Å; V313-Y315 VanDerWaalsContact C-N 3.33Å; V313-Y315 HydrophobicContact CB-CD1 4.19Å; V313-Y315 HydrophobicContact CB-CD2 4.37Å; V313-Y315 HydrophobicContact CB-CE1 3.93Å; V313-Y315 HydrophobicContact CB-CE2 4.12Å; V313-Y315 HydrophobicContact CB-CG 4.41Å; V313-Y315 HydrophobicContact CG1-CE1 3.97Å; V313-Y315 HydrophobicContact CG1-CE2 4.22Å; V313-Y315 HydrophobicContact CG2-CD2 4.38Å; V313-Y315 HydrophobicContact CG2-CE2 4.24Å; V313-Y315 WeakPolarHBondContact CG2-O 3.32Å
316	A	92.9	Very high	92.1	Very high	46 Å²	46	52.4 Å²	52.4	38%	0.38	27%	0.271	S	S	.	.			trans	-78.9	128.4	174.8	0	0	0	0	0	111	D320	A316-D320 HydrophobicContact CB-CB 4.25Å
317	T	94.2	Very high	92.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.			trans	-82.3	166.6	174.1	67.5	0	0	0	0	111.7	L176 V177 F179 L310 V313 M319 D320 W321	L176-T317 WeakPolarHBondContact O-CG2 3.27Å; V177-T317 CarbonylContact O-C 3.46Å; V177-T317 WeakPolarHBondContact O-CA 3.38Å; F179-T317 HydrophobicContact CB-CG2 4.44Å; L310-T317 HydrophobicContact CD1-CG2 4.31Å; V313-T317 HydrophobicContact CG2-CG2 4.13Å; T317-M319 PolarHBondContact O-N 2.88Å; T317-D320 WeakPolarHBondContact CB-OD2 3.39Å; T317-D320 WeakPolarHBondContact CG2-OD2 3.32Å; T317-D320 PolarHBondContact N-OD2 2.87Å; T317-D320 WeakPolarHBondContact O-CB 3.49Å; T317-D320 PolarHBondContact O-N 2.92Å; T317-D320 PolarHBondContact OG1-N 2.95Å; T317-D320 VanDerWaalsContact OG1-N 3.15Å; T317-D320 PolarHBondContact OG1-OD2 2.9Å; T317-W321 VanDerWaalsContact O-CD1 3.27Å; T317-W321 PolarHBondContact O-N 3.46Å; T317-W321 VanDerWaalsContact O-N 3.07Å
318	A	93.1	Very high	92.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-38.5	173.2	0	0	0	0	0	112.7	V177 F322 Y537 Y541	V177-A318 PolarHBondContact O-N 2.94Å; A318-F322 PolarHBondContact O-N 2.79Å; A318-Y537 VanDerWaalsContact C-OH 3.23Å; A318-Y537 WeakPolarHBondContact O-CE2 3.31Å; A318-Y537 PolarHBondContact O-OH 3.03Å; A318-Y541 HydrophobicContact CB-CD1 3.8Å; A318-Y541 HydrophobicContact CB-CD2 4.48Å; A318-Y541 HydrophobicContact CB-CE1 3.3Å; A318-Y541 HydrophobicContact CB-CE2 4.07Å; A318-Y541 HydrophobicContact CB-CG 4.37Å; A318-Y541 VanDerWaalsContact CB-CZ 3.44Å
319	M	93	Very high	93.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-39.2	173	-170.9	-178.4	68.3	0	0	112.4	F179 T263 A306 L310 T317 F322 I323	F179-M319 HydrophobicContact CD1-CB 4.22Å; F179-M319 HydrophobicContact CD1-CE 4.28Å; F179-M319 HydrophobicContact CD1-SD 4.4Å; F179-M319 HydrophobicContact CE1-CE 3.79Å; F179-M319 HydrophobicContact CE1-SD 3.87Å; F179-M319 PolarHBondContact O-N 2.94Å; F179-M319 VanDerWaalsContact O-N 3.09Å; T263-M319 HydrophobicContact CG2-CG 4.21Å; T263-M319 HydrophobicContact CG2-SD 4.01Å; A306-M319 HydrophobicContact CB-CE 3.77Å; A306-M319 HydrophobicContact CB-SD 4.07Å; L310-M319 HydrophobicContact CD1-CE 3.61Å; T317-M319 PolarHBondContact O-N 2.88Å; M319-F322 WeakPolarHBondContact O-CB 3.31Å; M319-F322 PolarHBondContact O-N 2.76Å; M319-I323 HydrophobicContact CE-CD1 4.4Å; M319-I323 HydrophobicContact CG-CD1 3.88Å; M319-I323 HydrophobicContact CG-CG1 4.46Å; M319-I323 WeakPolarHBondContact O-CG1 3.41Å; M319-I323 PolarHBondContact O-N 2.78Å; M319-I323 HydrophobicContact SD-CD1 4.44Å
320	D	94.2	Very high	93.9	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.08	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-41.6	178.8	-62.3	-40.4	0	0	0	111.8	R307 A316 T317 F322 I323 A324	R307-D320 IonicContact CZ-OD1 2.77Å; R307-D320 IonicContact CZ-OD2 3.8Å; R307-D320 IonicContact NE-OD1 2.72Å; R307-D320 PolarHBondContact NE-OD1 2.86Å; R307-D320 IonicContact NH1-OD1 3.64Å; R307-D320 PolarHBondContact NH1-OD1 2.61Å; R307-D320 IonicContact NH1-OD2 3.96Å; R307-D320 PolarHBondContact NH1-OD2 3.27Å; R307-D320 IonicContact NH2-OD1 3.7Å; R307-D320 PolarHBondContact NH2-OD1 3.05Å; R307-D320 VanDerWaalsContact NH2-OD1 3.12Å; R307-D320 IonicContact NH2-OD2 2.87Å; R307-D320 PolarHBondContact NH2-OD2 2.79Å; A316-D320 HydrophobicContact CB-CB 4.25Å; T317-D320 WeakPolarHBondContact CB-OD2 3.39Å; T317-D320 WeakPolarHBondContact CG2-OD2 3.32Å; T317-D320 PolarHBondContact N-OD2 2.87Å; T317-D320 WeakPolarHBondContact O-CB 3.49Å; T317-D320 PolarHBondContact O-N 2.92Å; T317-D320 PolarHBondContact OG1-N 2.95Å; T317-D320 VanDerWaalsContact OG1-N 3.15Å; T317-D320 PolarHBondContact OG1-OD2 2.9Å; D320-F322 VanDerWaalsContact C-N 3.31Å; D320-F322 PolarHBondContact O-N 2.83Å; D320-I323 PolarHBondContact O-N 2.95Å; D320-A324 WeakPolarHBondContact O-CB 3.47Å; D320-A324 PolarHBondContact O-N 3.01Å
321	W	94.1	Very high	94.3	Very high	151 Å²	151	49.8 Å²	49.8	57%	0.572	26%	0.263	S	S	*	.	H	α-helix	trans	-60.9	-40.8	173.3	-77.4	108.8	0	0	0	111.7	T317 V325	T317-W321 VanDerWaalsContact O-CD1 3.27Å; T317-W321 PolarHBondContact O-N 3.46Å; T317-W321 VanDerWaalsContact O-N 3.07Å; W321-V325 WeakPolarHBondContact O-CG2 3.47Å; W321-V325 PolarHBondContact O-N 3.3Å
322	F	95.7	Very high	94.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-49.1	175.7	-169.4	-94	0	0	0	112.3	Y264 C267 I268 A318 M319 D320 V325 C326 F533 Y537	Y264-F322 AromaticContact CD1-CD1 3.52Å; Y264-F322 HydrophobicContact CD1-CD1 3.52Å; Y264-F322 HydrophobicContact CD1-CD2 4.05Å; Y264-F322 AromaticContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE2 4.07Å; Y264-F322 AromaticContact CD1-CG 3.79Å; Y264-F322 HydrophobicContact CD1-CG 3.79Å; Y264-F322 AromaticContact CD1-CZ 3.83Å; Y264-F322 HydrophobicContact CD1-CZ 3.83Å; Y264-F322 HydrophobicContact CE1-CB 3.94Å; Y264-F322 AromaticContact CE1-CD1 3.7Å; Y264-F322 HydrophobicContact CE1-CD1 3.7Å; Y264-F322 AromaticContact CE1-CD2 3.94Å; Y264-F322 HydrophobicContact CE1-CD2 3.94Å; Y264-F322 HydrophobicContact CE1-CE1 4.19Å; Y264-F322 HydrophobicContact CE1-CE2 4.41Å; Y264-F322 AromaticContact CE1-CG 3.56Å; Y264-F322 HydrophobicContact CE1-CG 3.56Å; Y264-F322 HydrophobicContact CG-CE1 4.43Å; C267-F322 HydrophobicContact CB-CE1 4Å; I268-F322 HydrophobicContact CD1-CZ 4.06Å; I268-F322 HydrophobicContact CG1-CE1 4.32Å; I268-F322 HydrophobicContact CG1-CZ 3.77Å; A318-F322 PolarHBondContact O-N 2.79Å; M319-F322 WeakPolarHBondContact O-CB 3.31Å; M319-F322 PolarHBondContact O-N 2.76Å; D320-F322 VanDerWaalsContact C-N 3.31Å; D320-F322 PolarHBondContact O-N 2.83Å; F322-V325 PolarHBondContact O-N 3.46Å; F322-C326 WeakPolarHBondContact CE1-SG 3.36Å; F322-C326 WeakPolarHBondContact O-CB 3.43Å; F322-C326 PolarHBondContact O-N 2.73Å; F322-C326 PolarHBondContact O-SG 2.97Å; F322-F533 AromaticContact CD2-CE1 3.79Å; F322-F533 HydrophobicContact CD2-CE1 3.79Å; F322-F533 AromaticContact CD2-CZ 3.84Å; F322-F533 HydrophobicContact CD2-CZ 3.84Å; F322-F533 AromaticContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CZ 4.29Å; F322-Y537 HydrophobicContact CB-CE1 4.46Å; F322-Y537 HydrophobicContact CB-CE2 3.79Å; F322-Y537 AromaticContact CD2-CD1 3.75Å; F322-Y537 HydrophobicContact CD2-CD1 3.75Å; F322-Y537 AromaticContact CD2-CD2 3.97Å; F322-Y537 HydrophobicContact CD2-CD2 3.97Å; F322-Y537 AromaticContact CD2-CE1 3.74Å; F322-Y537 HydrophobicContact CD2-CE1 3.74Å; F322-Y537 AromaticContact CD2-CE2 3.94Å; F322-Y537 HydrophobicContact CD2-CE2 3.94Å; F322-Y537 AromaticContact CD2-CG 3.88Å; F322-Y537 HydrophobicContact CD2-CG 3.88Å; F322-Y537 AromaticContact CD2-CZ 3.84Å; F322-Y537 HydrophobicContact CE2-CD1 4.17Å; F322-Y537 HydrophobicContact CE2-CE1 4.42Å; F322-Y537 HydrophobicContact CE2-CG 4.43Å; F322-Y537 HydrophobicContact CG-CE1 4.38Å; F322-Y537 HydrophobicContact CG-CE2 4.35Å
323	I	95.5	Very high	94.6	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-42.6	179.5	-67.2	168.5	0	0	0	110.7	T263 M299 A306 M319 D320 C326 F327	T263-I323 HydrophobicContact CG2-CD1 3.94Å; T263-I323 HydrophobicContact CG2-CG1 4.28Å; M299-I323 HydrophobicContact CE-CG2 4.5Å; A306-I323 HydrophobicContact CB-CD1 3.67Å; M319-I323 HydrophobicContact CE-CD1 4.4Å; M319-I323 HydrophobicContact CG-CD1 3.88Å; M319-I323 HydrophobicContact CG-CG1 4.46Å; M319-I323 WeakPolarHBondContact O-CG1 3.41Å; M319-I323 PolarHBondContact O-N 2.78Å; M319-I323 HydrophobicContact SD-CD1 4.44Å; D320-I323 PolarHBondContact O-N 2.95Å; I323-C326 PolarHBondContact O-N 2.85Å; I323-F327 WeakPolarHBondContact O-CB 3.37Å; I323-F327 PolarHBondContact O-N 3.02Å
324	A	95.7	Very high	94.7	Very high	54 Å²	54	42.1 Å²	42.1	45%	0.446	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-42.9	179.1	0	0	0	0	0	112.4	D320 F327 A328	D320-A324 WeakPolarHBondContact O-CB 3.47Å; D320-A324 PolarHBondContact O-N 3.01Å; A324-F327 PolarHBondContact O-N 2.57Å; A324-A328 PolarHBondContact O-N 2.96Å
325	V	96	Very high	94.8	Very high	41 Å²	41	40.4 Å²	40.4	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-42	175.8	173.6	0	0	0	0	111.2	W321 F322 F327 A328 F329 F533	W321-V325 WeakPolarHBondContact O-CG2 3.47Å; W321-V325 PolarHBondContact O-N 3.3Å; F322-V325 PolarHBondContact O-N 3.46Å; V325-F327 VanDerWaalsContact C-N 3.31Å; V325-F327 PolarHBondContact O-N 2.97Å; V325-A328 WeakPolarHBondContact O-CB 3.31Å; V325-A328 PolarHBondContact O-N 2.94Å; V325-F329 HydrophobicContact CG1-CD2 3.8Å; V325-F329 HydrophobicContact CG1-CE2 3.64Å; V325-F329 VanDerWaalsContact O-CD2 3.3Å; V325-F329 WeakPolarHBondContact O-CD2 3.28Å; V325-F329 PolarHBondContact O-N 3.26Å; V325-F533 HydrophobicContact CB-CD2 4.5Å; V325-F533 HydrophobicContact CB-CE1 4.06Å; V325-F533 HydrophobicContact CB-CE2 3.93Å; V325-F533 HydrophobicContact CB-CZ 3.68Å; V325-F533 HydrophobicContact CG1-CD1 3.78Å; V325-F533 HydrophobicContact CG1-CD2 3.79Å; V325-F533 HydrophobicContact CG1-CE1 3.69Å; V325-F533 HydrophobicContact CG1-CE2 3.71Å; V325-F533 HydrophobicContact CG1-CG 3.83Å; V325-F533 HydrophobicContact CG1-CZ 3.66Å; V325-F533 HydrophobicContact CG2-CE2 3.95Å; V325-F533 HydrophobicContact CG2-CZ 4.14Å
326	C	96.6	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-41.7	173.6	-68.5	0	0	0	0	112	C267 V271 M299 F322 I323 F329 V330	C267-C326 HydrophobicContact CB-CB 4.47Å; V271-C326 HydrophobicContact CG2-CB 3.65Å; M299-C326 HydrophobicContact CE-CB 3.54Å; M299-C326 HydrophobicContact SD-CB 4.36Å; F322-C326 WeakPolarHBondContact CE1-SG 3.36Å; F322-C326 WeakPolarHBondContact O-CB 3.43Å; F322-C326 PolarHBondContact O-N 2.73Å; F322-C326 PolarHBondContact O-SG 2.97Å; I323-C326 PolarHBondContact O-N 2.85Å; C326-F329 PolarHBondContact O-N 3.21Å; C326-V330 WeakPolarHBondContact O-CG2 3.48Å; C326-V330 PolarHBondContact O-N 2.85Å; C326-V330 VanDerWaalsContact O-N 3.11Å
327	F	96.1	Very high	94.6	Very high	74 Å²	74	35.7 Å²	35.7	33%	0.325	19%	0.188	S	C	.	.	H	α-helix	trans	-62.8	-42.5	175.4	-169.1	-78.7	0	0	0	111.3	V296 M299 I323 A324 V325 V330 F331	V296-F327 HydrophobicContact CG1-CE2 4.4Å; V296-F327 HydrophobicContact CG1-CZ 4.1Å; M299-F327 HydrophobicContact CB-CD2 3.84Å; M299-F327 HydrophobicContact CB-CE2 4.4Å; I323-F327 WeakPolarHBondContact O-CB 3.37Å; I323-F327 PolarHBondContact O-N 3.02Å; A324-F327 PolarHBondContact O-N 2.57Å; V325-F327 VanDerWaalsContact C-N 3.31Å; V325-F327 PolarHBondContact O-N 2.97Å; F327-V330 PolarHBondContact O-N 3.05Å; F327-F331 WeakPolarHBondContact O-CB 3.49Å; F327-F331 PolarHBondContact O-N 3.39Å
328	A	96.4	Very high	94.6	Very high	50 Å²	50	38.2 Å²	38.2	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-44.7	175.7	0	0	0	0	0	112	A324 V325 V330 F331 S332	A324-A328 PolarHBondContact O-N 2.96Å; V325-A328 WeakPolarHBondContact O-CB 3.31Å; V325-A328 PolarHBondContact O-N 2.94Å; A328-V330 PolarHBondContact O-N 2.92Å; A328-F331 PolarHBondContact O-N 3.01Å; A328-S332 WeakPolarHBondContact O-CB 3.45Å; A328-S332 PolarHBondContact O-N 2.88Å; A328-S332 PolarHBondContact O-OG 2.87Å; A328-S332 VanDerWaalsContact O-OG 3.09Å
329	F	96.2	Very high	94.5	Very high	31 Å²	31	39.8 Å²	39.8	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-44.3	175.2	-86.8	-71	0	0	0	113	V271 V325 C326 S332 A333 F526 T529 F530 F533	V271-F329 HydrophobicContact CG1-CB 3.95Å; V271-F329 HydrophobicContact CG1-CG 4.45Å; V271-F329 HydrophobicContact CG2-CB 4.49Å; V325-F329 HydrophobicContact CG1-CD2 3.8Å; V325-F329 HydrophobicContact CG1-CE2 3.64Å; V325-F329 VanDerWaalsContact O-CD2 3.3Å; V325-F329 WeakPolarHBondContact O-CD2 3.28Å; V325-F329 PolarHBondContact O-N 3.26Å; C326-F329 PolarHBondContact O-N 3.21Å; F329-S332 PolarHBondContact O-N 2.74Å; F329-A333 PolarHBondContact O-N 2.94Å; F329-A333 VanDerWaalsContact O-N 3.15Å; F329-F526 HydrophobicContact CD1-CD1 4.17Å; F329-T529 WeakPolarHBondContact CE1-OG1 3.45Å; F329-F530 HydrophobicContact CD1-CB 4.42Å; F329-F530 AromaticContact CD2-CD2 3.66Å; F329-F530 HydrophobicContact CD2-CD2 3.66Å; F329-F530 HydrophobicContact CD2-CE2 4.35Å; F329-F530 HydrophobicContact CE1-CB 4.09Å; F329-F530 HydrophobicContact CE2-CB 4.28Å; F329-F530 AromaticContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CG-CD2 4.2Å; F329-F530 HydrophobicContact CZ-CB 4.02Å; F329-F530 HydrophobicContact CZ-CD2 4.35Å; F329-F533 HydrophobicContact CE2-CB 4.41Å
330	V	96.1	Very high	94.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-41.2	178.5	170.6	0	0	0	0	111.2	V271 V296 M299 C326 F327 A328 A333 L334	V271-V330 HydrophobicContact CB-CG2 4.43Å; V271-V330 HydrophobicContact CG2-CG2 3.94Å; V296-V330 HydrophobicContact CB-CG1 4.46Å; V296-V330 HydrophobicContact CG2-CG1 3.79Å; M299-V330 HydrophobicContact CG-CB 4.1Å; M299-V330 HydrophobicContact CG-CG1 4.19Å; M299-V330 HydrophobicContact CG-CG2 3.76Å; M299-V330 HydrophobicContact SD-CG2 4.45Å; C326-V330 WeakPolarHBondContact O-CG2 3.48Å; C326-V330 PolarHBondContact O-N 2.85Å; C326-V330 VanDerWaalsContact O-N 3.11Å; F327-V330 PolarHBondContact O-N 3.05Å; A328-V330 PolarHBondContact O-N 2.92Å; V330-A333 PolarHBondContact O-N 3.39Å; V330-L334 PolarHBondContact O-N 3.08Å
331	F	95.5	Very high	94.2	Very high	103 Å²	103	41.3 Å²	41.3	45%	0.452	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-41.3	174.1	-173.9	-100.4	0	0	0	112.2	F327 A328 A333 L334 I335	F327-F331 WeakPolarHBondContact O-CB 3.49Å; F327-F331 PolarHBondContact O-N 3.39Å; A328-F331 PolarHBondContact O-N 3.01Å; F331-A333 VanDerWaalsContact C-N 3.26Å; F331-A333 PolarHBondContact O-N 3.39Å; F331-L334 WeakPolarHBondContact O-CB 3.42Å; F331-L334 PolarHBondContact O-N 3.13Å; F331-L334 VanDerWaalsContact O-N 3.08Å; F331-I335 HydrophobicContact CD1-CG1 4.06Å; F331-I335 HydrophobicContact CE1-CD1 3.96Å; F331-I335 HydrophobicContact CE1-CG1 3.75Å; F331-I335 HydrophobicContact CZ-CD1 4.04Å; F331-I335 HydrophobicContact CZ-CG1 4.25Å; F331-I335 WeakPolarHBondContact O-CG1 3.08Å; F331-I335 PolarHBondContact O-N 2.88Å; F331-I335 VanDerWaalsContact O-N 3.07Å
332	S	94.3	Very high	94.1	Very high	54 Å²	54	41.3 Å²	41.3	38%	0.378	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-31.2	175.3	-68.9	0	0	0	0	113.1	A328 F329 I335 E336	A328-S332 WeakPolarHBondContact O-CB 3.45Å; A328-S332 PolarHBondContact O-N 2.88Å; A328-S332 PolarHBondContact O-OG 2.87Å; A328-S332 VanDerWaalsContact O-OG 3.09Å; F329-S332 PolarHBondContact O-N 2.74Å; S332-I335 PolarHBondContact O-N 2.82Å; S332-E336 WeakPolarHBondContact O-CB 3.24Å; S332-E336 PolarHBondContact O-N 2.88Å
333	A	93.6	Very high	93.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-68.2	-34.6	173.3	0	0	0	0	0	112.5	F278 F329 V330 F331 F337 F526	F278-A333 HydrophobicContact CE1-CB 4.03Å; F278-A333 HydrophobicContact CZ-CB 3.8Å; F329-A333 PolarHBondContact O-N 2.94Å; F329-A333 VanDerWaalsContact O-N 3.15Å; V330-A333 PolarHBondContact O-N 3.39Å; F331-A333 VanDerWaalsContact C-N 3.26Å; F331-A333 PolarHBondContact O-N 3.39Å; A333-F337 PolarHBondContact O-N 2.9Å; A333-F337 VanDerWaalsContact O-N 3.13Å; A333-F526 HydrophobicContact CB-CE1 4.33Å
334	L	93.2	Very high	93.5	Very high	44 Å²	44	47.4 Å²	47.4	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-38.7	173.1	-175.1	68	0	0	0	111.8	I293 V296 V330 F331 F337 A338	I293-L334 HydrophobicContact CG1-CD1 4.46Å; V296-L334 HydrophobicContact CG2-CD2 4.46Å; V330-L334 PolarHBondContact O-N 3.08Å; F331-L334 WeakPolarHBondContact O-CB 3.42Å; F331-L334 PolarHBondContact O-N 3.13Å; F331-L334 VanDerWaalsContact O-N 3.08Å; L334-F337 HydrophobicContact CD1-CD1 4.4Å; L334-F337 PolarHBondContact O-N 3.22Å; L334-A338 PolarHBondContact O-N 3.1Å
335	I	94.1	Very high	93.1	Very high	94 Å²	94	48.5 Å²	48.5	48%	0.482	26%	0.258	S	S	.	.	H	α-helix	trans	-67.2	-39.5	174.8	-63	-65	0	0	0	111.6	F331 S332 A338 A339	F331-I335 HydrophobicContact CD1-CG1 4.06Å; F331-I335 HydrophobicContact CE1-CD1 3.96Å; F331-I335 HydrophobicContact CE1-CG1 3.75Å; F331-I335 HydrophobicContact CZ-CD1 4.04Å; F331-I335 HydrophobicContact CZ-CG1 4.25Å; F331-I335 WeakPolarHBondContact O-CG1 3.08Å; F331-I335 PolarHBondContact O-N 2.88Å; F331-I335 VanDerWaalsContact O-N 3.07Å; S332-I335 PolarHBondContact O-N 2.82Å; I335-A338 PolarHBondContact O-N 2.81Å; I335-A339 PolarHBondContact O-N 3.5Å
336	E	93.2	Very high	92.8	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.065	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-49.1	173	-173.5	-76.3	158.6	0	0	110.9	F278 R288 S332 A338 A339 V340 I518 D519 A522 F526	F278-E336 HydrophobicContact CD1-CG 4.26Å; F278-E336 WeakPolarHBondContact CD1-OE2 3.39Å; F278-E336 HydrophobicContact CE1-CB 4Å; F278-E336 HydrophobicContact CE1-CG 3.76Å; F278-E336 WeakPolarHBondContact CE1-OE2 3.45Å; R288-E336 IonicContact CZ-OE2 3.22Å; R288-E336 IonicContact NH2-OE1 2.86Å; R288-E336 PolarHBondContact NH2-OE1 3.12Å; R288-E336 IonicContact NH2-OE2 3.27Å; R288-E336 PolarHBondContact NH2-OE2 3.29Å; S332-E336 WeakPolarHBondContact O-CB 3.24Å; S332-E336 PolarHBondContact O-N 2.88Å; E336-A338 PolarHBondContact O-N 2.86Å; E336-A339 WeakPolarHBondContact O-CB 3.49Å; E336-A339 PolarHBondContact O-N 3.19Å; E336-V340 WeakPolarHBondContact O-CG2 3.38Å; E336-V340 PolarHBondContact O-N 2.75Å; E336-V340 WeakPolarHBondContact OE1-CG2 3.37Å; E336-I518 HydrophobicContact CG-CG2 4.01Å; E336-I518 WeakPolarHBondContact OE1-CG2 3.49Å; E336-D519 PolarHBondContact OE1-N 2.69Å; E336-A522 HydrophobicContact CG-CB 3.93Å; E336-F526 HydrophobicContact CB-CZ 4.42Å
337	F	90.8	Very high	92.4	Very high	14 Å²	14	55 Å²	55	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.9	162.9	-116.8	0	0	0	112.3	V285 R288 T289 A333 L334 A339 V340 N341	V285-F337 HydrophobicContact CG1-CE2 4.26Å; V285-F337 HydrophobicContact CG1-CZ 3.84Å; R288-F337 HydrophobicContact CB-CD1 4.4Å; R288-F337 HydrophobicContact CB-CD2 3.43Å; R288-F337 VanDerWaalsContact CB-CD2 3.43Å; R288-F337 HydrophobicContact CB-CE1 4.43Å; R288-F337 HydrophobicContact CB-CE2 3.47Å; R288-F337 VanDerWaalsContact CB-CE2 3.47Å; R288-F337 HydrophobicContact CB-CG 3.91Å; R288-F337 HydrophobicContact CB-CZ 3.98Å; R288-F337 HydrophobicContact CG-CD2 4.27Å; R288-F337 HydrophobicContact CG-CE2 4.48Å; T289-F337 WeakPolarHBondContact OG1-CE1 3.37Å; T289-F337 VanDerWaalsContact OG1-CZ 3.24Å; T289-F337 WeakPolarHBondContact OG1-CZ 3.39Å; A333-F337 PolarHBondContact O-N 2.9Å; A333-F337 VanDerWaalsContact O-N 3.13Å; L334-F337 HydrophobicContact CD1-CD1 4.4Å; L334-F337 PolarHBondContact O-N 3.22Å; F337-A339 VanDerWaalsContact C-N 3.32Å; F337-A339 PolarHBondContact O-N 3.46Å; F337-V340 PolarHBondContact O-N 2.83Å; F337-N341 HydrophobicContact CE2-CB 4.33Å; F337-N341 WeakPolarHBondContact O-CB 3.31Å; F337-N341 PolarHBondContact O-N 3.09Å
338	A	92.4	Very high	91.9	Very high	53 Å²	53	55.6 Å²	55.6	44%	0.438	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-42.3	175.9	0	0	0	0	0	111.7	L334 I335 E336 Y342	L334-A338 PolarHBondContact O-N 3.1Å; I335-A338 PolarHBondContact O-N 2.81Å; E336-A338 PolarHBondContact O-N 2.86Å; A338-Y342 WeakPolarHBondContact O-CB 3.46Å; A338-Y342 PolarHBondContact O-N 2.81Å
339	A	92.1	Very high	91.5	Very high	33 Å²	33	57.2 Å²	57.2	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-45.3	174	0	0	0	0	0	112.2	I335 E336 F337 N341 Y342 F343 I518	I335-A339 PolarHBondContact O-N 3.5Å; E336-A339 WeakPolarHBondContact O-CB 3.49Å; E336-A339 PolarHBondContact O-N 3.19Å; F337-A339 VanDerWaalsContact C-N 3.32Å; F337-A339 PolarHBondContact O-N 3.46Å; A339-N341 VanDerWaalsContact C-N 3.34Å; A339-N341 PolarHBondContact O-N 2.99Å; A339-Y342 PolarHBondContact O-N 2.91Å; A339-F343 HydrophobicContact CB-CD2 4.43Å; A339-F343 HydrophobicContact CB-CE2 4.46Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 PolarHBondContact O-N 3.31Å; A339-I518 HydrophobicContact CB-CD1 4.45Å
340	V	90.9	Very high	91.1	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-46	175.9	167	0	0	0	0	111.6	K282 E336 F337 T344 I518	K282-V340 HydrophobicContact CB-CG1 3.76Å; E336-V340 WeakPolarHBondContact O-CG2 3.38Å; E336-V340 PolarHBondContact O-N 2.75Å; E336-V340 WeakPolarHBondContact OE1-CG2 3.37Å; F337-V340 PolarHBondContact O-N 2.83Å; V340-T344 WeakPolarHBondContact O-CB 3.46Å; V340-T344 PolarHBondContact O-N 3.41Å; V340-T344 PolarHBondContact O-OG1 3Å; V340-I518 HydrophobicContact CG2-CB 3.76Å; V340-I518 HydrophobicContact CG2-CD1 4.08Å; V340-I518 HydrophobicContact CG2-CG1 4.44Å; V340-I518 HydrophobicContact CG2-CG2 4.03Å
341	N	90.4	Very high	90.7	Very high	48 Å²	48	63.8 Å²	63.8	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-50.7	177.2	-174.2	23.1	0	0	0	110.8	F337 A339 F343 T344 N345	F337-N341 HydrophobicContact CE2-CB 4.33Å; F337-N341 WeakPolarHBondContact O-CB 3.31Å; F337-N341 PolarHBondContact O-N 3.09Å; A339-N341 VanDerWaalsContact C-N 3.34Å; A339-N341 PolarHBondContact O-N 2.99Å; N341-F343 PolarHBondContact O-N 3.05Å; N341-T344 PolarHBondContact O-N 2.9Å; N341-N345 WeakPolarHBondContact O-CB 3.23Å; N341-N345 VanDerWaalsContact O-CG 3.25Å; N341-N345 PolarHBondContact O-N 3.28Å; N341-N345 PolarHBondContact O-ND2 3.34Å; N341-N345 PolarHBondContact OD1-ND2 2.87Å
342	Y	91.7	Very high	90.2	Very high	151 Å²	151	64.8 Å²	64.8	59%	0.592	33%	0.333	S	S	*	.	H	α-helix	trans	-57.5	-50.9	179.2	-177.1	-103.9	0	0	0	112.9	A338 A339 T344 N345 I346	A338-Y342 WeakPolarHBondContact O-CB 3.46Å; A338-Y342 PolarHBondContact O-N 2.81Å; A339-Y342 PolarHBondContact O-N 2.91Å; Y342-T344 PolarHBondContact O-N 2.94Å; Y342-N345 PolarHBondContact O-N 3.18Å; Y342-I346 HydrophobicContact CD1-CD1 3.88Å; Y342-I346 HydrophobicContact CE1-CD1 3.38Å; Y342-I346 HydrophobicContact CE2-CD1 4.19Å; Y342-I346 HydrophobicContact CG-CD1 4.47Å; Y342-I346 WeakPolarHBondContact O-CG1 3.27Å; Y342-I346 PolarHBondContact O-N 3.13Å
343	F	90.6	Very high	89.8	Confident	113 Å²	113	71.2 Å²	71.2	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-67.9	-34.9	178.3	-73.9	-63.1	0	0	0	112.8	A339 N341 I346 Q347 I518	A339-F343 HydrophobicContact CB-CD2 4.43Å; A339-F343 HydrophobicContact CB-CE2 4.46Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 PolarHBondContact O-N 3.31Å; N341-F343 PolarHBondContact O-N 3.05Å; F343-I346 PolarHBondContact O-N 3.09Å; F343-Q347 WeakPolarHBondContact O-CG 3.39Å; F343-Q347 PolarHBondContact O-N 3.09Å; F343-I518 HydrophobicContact CD2-CD1 3.68Å; F343-I518 HydrophobicContact CE2-CD1 4.3Å
344	T	87.6	Confident	89.2	Confident	21 Å²	21	79.2 Å²	79.2	13%	0.129	38%	0.383	C	S	.	.	H	α-helix	trans	-64.7	-45.1	175.9	-59.9	0	0	0	0	110.9	K282 V340 N341 Y342 I346 Q347 M348	K282-T344 HydrophobicContact CD-CG2 4.31Å; K282-T344 HydrophobicContact CG-CG2 4.33Å; V340-T344 WeakPolarHBondContact O-CB 3.46Å; V340-T344 PolarHBondContact O-N 3.41Å; V340-T344 PolarHBondContact O-OG1 3Å; N341-T344 PolarHBondContact O-N 2.9Å; Y342-T344 PolarHBondContact O-N 2.94Å; T344-I346 PolarHBondContact O-N 3.17Å; T344-Q347 PolarHBondContact O-N 2.8Å; T344-M348 HydrophobicContact CG2-CE 3.92Å; T344-M348 HydrophobicContact CG2-SD 4.3Å; T344-M348 WeakPolarHBondContact O-CG 3.3Å; T344-M348 PolarHBondContact O-N 2.91Å
345	N	87.9	Confident	88.3	Confident	78 Å²	78	83.1 Å²	83.1	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-43.4	176.9	-68	-35.2	0	0	0	112	N341 Y342 Q347 M348 E349	N341-N345 WeakPolarHBondContact O-CB 3.23Å; N341-N345 VanDerWaalsContact O-CG 3.25Å; N341-N345 PolarHBondContact O-N 3.28Å; N341-N345 PolarHBondContact O-ND2 3.34Å; N341-N345 PolarHBondContact OD1-ND2 2.87Å; Y342-N345 PolarHBondContact O-N 3.18Å; N345-Q347 VanDerWaalsContact C-N 3.3Å; N345-Q347 PolarHBondContact O-N 2.98Å; N345-M348 PolarHBondContact O-N 3.41Å; N345-E349 WeakPolarHBondContact O-CG 3.4Å; N345-E349 PolarHBondContact O-N 3.11Å
346	I	89.8	Confident	86.9	Confident	54 Å²	54	83 Å²	83	28%	0.277	42%	0.416	S	S	.	.	H	α-helix	trans	-58.9	-40.7	174.1	-74.5	174.8	0	0	0	111.9	Y342 F343 T344 K350	Y342-I346 HydrophobicContact CD1-CD1 3.88Å; Y342-I346 HydrophobicContact CE1-CD1 3.38Å; Y342-I346 HydrophobicContact CE2-CD1 4.19Å; Y342-I346 HydrophobicContact CG-CD1 4.47Å; Y342-I346 WeakPolarHBondContact O-CG1 3.27Å; Y342-I346 PolarHBondContact O-N 3.13Å; F343-I346 PolarHBondContact O-N 3.09Å; T344-I346 PolarHBondContact O-N 3.17Å; I346-K350 HydrophobicContact CG2-CD 4Å; I346-K350 WeakPolarHBondContact O-CB 3.33Å; I346-K350 VanDerWaalsContact O-CG 3.28Å; I346-K350 WeakPolarHBondContact O-CG 3.44Å; I346-K350 PolarHBondContact O-N 2.98Å
347	Q	87	Confident	85	Confident	124 Å²	124	90.3 Å²	90.3	58%	0.579	45%	0.448	S	S	*	.	H	α-helix	trans	-73.5	-35	179.8	-64.8	-74.7	69.6	0	0	111.9	F343 T344 N345 K350 A351	F343-Q347 WeakPolarHBondContact O-CG 3.39Å; F343-Q347 PolarHBondContact O-N 3.09Å; T344-Q347 PolarHBondContact O-N 2.8Å; N345-Q347 VanDerWaalsContact C-N 3.3Å; N345-Q347 PolarHBondContact O-N 2.98Å; Q347-K350 PolarHBondContact O-N 3.32Å; Q347-A351 WeakPolarHBondContact O-CB 3.5Å; Q347-A351 PolarHBondContact O-N 2.88Å
348	M	85.5	Confident	83.3	Confident	85 Å²	85	94.6 Å²	94.6	42%	0.419	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-44.3	171.6	-73.9	-178.5	172.2	0	0	111.8	T344 N345 K350 A351 K352	T344-M348 HydrophobicContact CG2-CE 3.92Å; T344-M348 HydrophobicContact CG2-SD 4.3Å; T344-M348 WeakPolarHBondContact O-CG 3.3Å; T344-M348 PolarHBondContact O-N 2.91Å; N345-M348 PolarHBondContact O-N 3.41Å; M348-K350 PolarHBondContact O-N 3.17Å; M348-A351 WeakPolarHBondContact O-CB 3.35Å; M348-A351 PolarHBondContact O-N 2.77Å; M348-A351 VanDerWaalsContact O-N 3.16Å; M348-K352 WeakPolarHBondContact O-CG 3.17Å; M348-K352 PolarHBondContact O-N 3.45Å
349	E	88.5	Confident	81.5	Confident	85 Å²	85	98 Å²	98	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-40.6	175	-73	-55.1	121	0	0	112.4	N345 A351 K352 R353	N345-E349 WeakPolarHBondContact O-CG 3.4Å; N345-E349 PolarHBondContact O-N 3.11Å; E349-A351 VanDerWaalsContact C-N 3.3Å; E349-A351 PolarHBondContact O-N 3.1Å; E349-K352 PolarHBondContact O-N 3.14Å; E349-K352 WeakPolarHBondContact OE1-CD 3.38Å; E349-K352 WeakPolarHBondContact OE1-CE 3.37Å; E349-K352 IonicContact OE1-NZ 3.88Å; E349-K352 PolarHBondContact OE1-NZ 3.17Å; E349-R353 WeakPolarHBondContact O-CG 3.3Å; E349-R353 PolarHBondContact O-N 2.97Å; E349-R353 VanDerWaalsContact O-N 3.12Å
350	K	89	Confident	79.5	Confident	118 Å²	118	105.7 Å²	105.7	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-32.2	172.7	-75	171.1	-179.9	176.6	0	112.8	I346 Q347 M348 K354	I346-K350 HydrophobicContact CG2-CD 4Å; I346-K350 WeakPolarHBondContact O-CB 3.33Å; I346-K350 VanDerWaalsContact O-CG 3.28Å; I346-K350 WeakPolarHBondContact O-CG 3.44Å; I346-K350 PolarHBondContact O-N 2.98Å; Q347-K350 PolarHBondContact O-N 3.32Å; M348-K350 PolarHBondContact O-N 3.17Å; K350-K354 WeakPolarHBondContact O-CG 3.17Å; K350-K354 PolarHBondContact O-N 2.72Å
351	A	86.1	Confident	77.4	Confident	52 Å²	52	114.4 Å²	114.4	43%	0.43	57%	0.566	S	S	.	*	H	α-helix	trans	-70.7	-49.6	175	0	0	0	0	0	111.5	Q347 M348 E349 R353 K354 T355	Q347-A351 WeakPolarHBondContact O-CB 3.5Å; Q347-A351 PolarHBondContact O-N 2.88Å; M348-A351 WeakPolarHBondContact O-CB 3.35Å; M348-A351 PolarHBondContact O-N 2.77Å; M348-A351 VanDerWaalsContact O-N 3.16Å; E349-A351 VanDerWaalsContact C-N 3.3Å; E349-A351 PolarHBondContact O-N 3.1Å; A351-R353 VanDerWaalsContact C-N 3.3Å; A351-R353 PolarHBondContact O-N 2.94Å; A351-K354 WeakPolarHBondContact O-CB 3.42Å; A351-K354 PolarHBondContact O-N 3.09Å; A351-T355 PolarHBondContact O-N 3.08Å; A351-T355 VanDerWaalsContact O-N 3.1Å; A351-T355 PolarHBondContact O-OG1 3.34Å
352	K	85.8	Confident	75.7	Confident	124 Å²	124	118.3 Å²	118.3	54%	0.539	59%	0.591	S	S	.	*	H	α-helix	trans	-51.5	-48.1	175.6	-69.5	172.5	-170.5	173.1	0	111.7	M348 E349 K354 T355 S356	M348-K352 WeakPolarHBondContact O-CG 3.17Å; M348-K352 PolarHBondContact O-N 3.45Å; E349-K352 PolarHBondContact O-N 3.14Å; E349-K352 WeakPolarHBondContact OE1-CD 3.38Å; E349-K352 WeakPolarHBondContact OE1-CE 3.37Å; E349-K352 IonicContact OE1-NZ 3.88Å; E349-K352 PolarHBondContact OE1-NZ 3.17Å; K352-K354 PolarHBondContact O-N 3.01Å; K352-T355 PolarHBondContact O-N 3.47Å; K352-S356 WeakPolarHBondContact O-CB 3.03Å; K352-S356 PolarHBondContact O-N 2.87Å; K352-S356 PolarHBondContact O-OG 3.02Å
353	R	84.8	Confident	73.9	Confident	188 Å²	188	117 Å²	117	71%	0.709	60%	0.601	S	S	*	*	H	α-helix	trans	-64.6	-18.4	178.6	-70.1	178.5	-174	-152.8	1.6	114.9	E349 A351 S356	E349-R353 WeakPolarHBondContact O-CG 3.3Å; E349-R353 PolarHBondContact O-N 2.97Å; E349-R353 VanDerWaalsContact O-N 3.12Å; A351-R353 VanDerWaalsContact C-N 3.3Å; A351-R353 PolarHBondContact O-N 2.94Å; R353-S356 PolarHBondContact O-OG 3.04Å
354	K	81.5	Confident	71.8	Confident	169 Å²	169	116.3 Å²	116.3	74%	0.735	62%	0.616	S	S	*	*	H	α-helix	trans	-85.3	-45.7	172.2	-75.4	-176.6	175.5	-169	0	111.1	K350 A351 K352 S356 K357	K350-K354 WeakPolarHBondContact O-CG 3.17Å; K350-K354 PolarHBondContact O-N 2.72Å; A351-K354 WeakPolarHBondContact O-CB 3.42Å; A351-K354 PolarHBondContact O-N 3.09Å; K352-K354 PolarHBondContact O-N 3.01Å; K354-S356 VanDerWaalsContact C-N 3.27Å; K354-S356 PolarHBondContact O-N 2.91Å; K354-K357 PolarHBondContact O-N 3.11Å
355	T	75.6	Confident	70.1	Confident	126 Å²	126	119.2 Å²	119.2	77%	0.773	64%	0.643	S	S	*	*	H	α-helix	trans	-66.5	-28.1	178.8	-48.5	0	0	0	0	112.6	A351 K352 K357	A351-T355 PolarHBondContact O-N 3.08Å; A351-T355 VanDerWaalsContact O-N 3.1Å; A351-T355 PolarHBondContact O-OG1 3.34Å; K352-T355 PolarHBondContact O-N 3.47Å; T355-K357 PolarHBondContact O-N 2.86Å
356	S	63.1	Low	68.2	Low	91 Å²	91	119.5 Å²	119.5	64%	0.636	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	6.2	176	71	0	0	0	0	114.7	K352 R353 K354	K352-S356 WeakPolarHBondContact O-CB 3.03Å; K352-S356 PolarHBondContact O-N 2.87Å; K352-S356 PolarHBondContact O-OG 3.02Å; R353-S356 PolarHBondContact O-OG 3.04Å; K354-S356 VanDerWaalsContact C-N 3.27Å; K354-S356 PolarHBondContact O-N 2.91Å
357	K	54.7	Low	65.9	Low	168 Å²	168	123.5 Å²	123.5	73%	0.73	68%	0.675	S	S	*	*	S	Bend	trans	-103.1	111.5	174.9	-157.6	176.7	-172.9	-173.7	0	107.9	K354 T355	K354-K357 PolarHBondContact O-N 3.11Å; T355-K357 PolarHBondContact O-N 2.86Å
358	P	54.9	Low	64	Low	104 Å²	104	122.9 Å²	122.9	68%	0.675	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.2	151.2	-174.1	25.8	-34.2	0	0	0	111.2	Q360	P358-Q360 PolarHBondContact O-N 3.46Å
359	P	54.1	Low	61.6	Low	125 Å²	125	130.8 Å²	130.8	81%	0.812	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-54.1	136.7	169.6	-22	33.2	0	0	0	110.2	E361	P359-E361 PolarHBondContact O-N 2.76Å
360	Q	49.2	Very low	59.3	Low	194 Å²	194	135.9 Å²	135.9	91%	0.907	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69.7	116.2	171.2	-75.4	-176.7	-101.3	0	0	108.7	P358	P358-Q360 PolarHBondContact O-N 3.46Å
361	E	47.5	Very low	56.9	Low	185 Å²	185	138.9 Å²	138.9	86%	0.864	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-64	132.9	178	-164.8	162.7	-148.9	0	0	110.1	P359 P363	P359-E361 PolarHBondContact O-N 2.76Å; E361-P363 WeakPolarHBondContact O-CD 3.44Å
362	V	55.6	Low	54.9	Low	130 Å²	130	144.7 Å²	144.7	79%	0.788	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-73.7	123	-174.6	179.6	0	0	0	0	109.1	A364	V362-A364 PolarHBondContact O-N 3.49Å
363	P	52.5	Low	52.7	Low	124 Å²	124	143.8 Å²	143.8	81%	0.805	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-65.3	117.5	-177.7	-22.5	34.1	0	0	0	112.3	E361	E361-P363 WeakPolarHBondContact O-CD 3.44Å
364	A	48	Very low	50.4	Low	97 Å²	97	144.5 Å²	144.5	80%	0.802	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-73.9	132.3	170.4	0	0	0	0	0	110.6	V362	V362-A364 PolarHBondContact O-N 3.49Å
365	A	50.9	Low	48.7	Very low	83 Å²	83	140.9 Å²	140.9	69%	0.686	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-77.9	130.7	-177	0	0	0	0	0	112.2
366	P	47.2	Very low	46.8	Very low	83 Å²	83	140.1 Å²	140.1	54%	0.539	77%	0.769	S	S	.	*	P	Polyproline II helix	trans	-84.8	148.5	-179.7	32	-34.5	0	0	0	113.8	N385	P366-N385 HydrophobicContact CG-CB 3.72Å; P366-N385 PolarHBondContact O-ND2 3.39Å
367	V	42.7	Very low	45.6	Very low	138 Å²	138	142.6 Å²	142.6	84%	0.836	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-78.7	137.6	177.8	177.2	0	0	0	0	111.3
368	Q	45.8	Very low	44.7	Very low	111 Å²	111	142 Å²	142	52%	0.519	77%	0.774	S	S	.	*	P	Polyproline II helix	trans	-102.8	149.3	165.2	-66	-166.5	4.2	0	0	111.2	L384 N385	Q368-L384 HydrophobicContact CG-CD2 4.21Å; Q368-L384 VanDerWaalsContact NE2-CD2 3.33Å; Q368-N385 PolarHBondContact NE2-OD1 3.15Å
369	R	36.5	Very low	43.9	Very low	252 Å²	252	143.9 Å²	143.9	95%	0.951	78%	0.779	S	S	*	*			trans	-114.5	126.6	167.8	-82.3	179.1	169	172.4	-3.5	108.2
370	E	40.7	Very low	43.1	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	77%	0.77	S	S	*	*			trans	-137.5	151.4	163	-165.2	158.2	-143.3	0	0	108.6
371	K	38.3	Very low	42.6	Very low	181 Å²	181	141 Å²	141	79%	0.787	77%	0.766	S	S	*	*			trans	-158.9	98.5	-165.3	-174.8	-160	-179.5	-164.2	0	111.8
372	H	44.3	Very low	42.1	Very low	173 Å²	173	136.6 Å²	136.6	80%	0.801	76%	0.762	S	S	*	*			trans	-172.3	160.2	137.3	-107.7	-92.7	0	0	0	107.2
373	P	38.2	Very low	41.4	Very low	106 Å²	106	138.1 Å²	138.1	69%	0.688	77%	0.766	S	S	*	*			trans	-133.9	144.7	-131.4	38.4	-21.2	0	0	0	116.2
374	E	37.6	Very low	40.8	Very low	203 Å²	203	137 Å²	137	95%	0.949	75%	0.752	S	S	*	*			trans	-153.5	176.6	147.4	-122.7	159.2	-167.9	0	0	111.3
375	A	44.4	Very low	40.4	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	73%	0.729	S	S	*	*			trans	-97.3	-173.7	-150.8	0	0	0	0	0	114.2
376	P	37.1	Very low	39.8	Very low	109 Å²	109	138.9 Å²	138.9	71%	0.708	73%	0.734	S	S	*	*				-129.4	167.4	-112.9	35	-15	0	0	0	116
377	L	37.4	Very low	39.4	Very low	143 Å²	143	145.7 Å²	145.7	75%	0.749	75%	0.749	S	S	*	*				158.3	127.7	129.4	-84.4	155.4	0	0	0	114.3
378	Q	36.6	Very low	39.1	Very low	155 Å²	155	148.8 Å²	148.8	72%	0.724	75%	0.751	S	S	*	*			trans	65.5	118	145.4	-68.4	172.4	-7.6	0	0	122.8
379	N	36.9	Very low	38.6	Very low	144 Å²	144	153.3 Å²	153.3	77%	0.77	76%	0.764	S	S	*	*			trans	73	131.8	133.2	-68.6	-0.8	0	0	0	121.3
380	T	38	Very low	38.7	Very low	104 Å²	104	146.1 Å²	146.1	64%	0.638	75%	0.748	S	S	*	*			cis	-161.1	135.1	-18.6	-28.7	0	0	0	0	110.6
381	N	38	Very low	38.5	Very low	154 Å²	154	144 Å²	144	82%	0.824	74%	0.743	S	S	*	*			trans	58.2	150.8	161.5	-59.7	-22.6	0	0	0	120.4
382	A	38.3	Very low	38.4	Very low	93 Å²	93	139.7 Å²	139.7	77%	0.769	74%	0.741	S	S	*	*			cis	-171.8	125.2	-29.3	0	0	0	0	0	108.3
383	N	39.5	Very low	37.9	Very low	163 Å²	163	139 Å²	139	87%	0.872	74%	0.742	S	S	*	*			trans	-168.2	118.3	-178.7	-152.5	-3.7	0	0	0	113.6
384	L	40.5	Very low	37.9	Very low	100 Å²	100	139.3 Å²	139.3	52%	0.524	74%	0.742	S	S	.	*			trans	-174.8	131.5	163.8	-137.9	66.6	0	0	0	117	Q368	Q368-L384 HydrophobicContact CG-CD2 4.21Å; Q368-L384 VanDerWaalsContact NE2-CD2 3.33Å
385	N	38.9	Very low	37.8	Very low	58 Å²	58	138 Å²	138	31%	0.31	74%	0.735	S	S	.	*				152.5	136.5	116.4	-87.4	-56.7	0	0	0	117.6	P366 Q368	P366-N385 HydrophobicContact CG-CB 3.72Å; P366-N385 PolarHBondContact O-ND2 3.39Å; Q368-N385 PolarHBondContact NE2-OD1 3.15Å
386	M	38	Very low	37.2	Very low	161 Å²	161	138.5 Å²	138.5	79%	0.793	73%	0.733	S	S	*	*			trans	26.2	138.2	154.9	-51.3	-165.5	-171.3	0	0	122.6
387	R	38.7	Very low	37.1	Very low	227 Å²	227	142.8 Å²	142.8	86%	0.857	74%	0.744	S	S	*	*			cis	87.9	108.6	8.5	-156.9	-177.3	-170.8	-177.8	5.1	120.2
388	K	37	Very low	36.8	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	75%	0.745	S	S	*	*			trans	-164.4	149.5	156	-105.6	175	179.9	175.8	0	107.6
389	R	35.7	Very low	36.7	Very low	205 Å²	205	141.6 Å²	141.6	77%	0.774	75%	0.752	S	S	*	*			cis	73.8	133.9	9.7	-109.7	-165	177.9	-174.2	-0.8	116.3
390	T	37.6	Very low	36.7	Very low	101 Å²	101	141.1 Å²	141.1	62%	0.62	75%	0.754	S	S	*	*			cis	-155.5	160.7	13.4	-42.6	0	0	0	0	111.9
391	N	37.9	Very low	36.6	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	76%	0.758	S	S	*	*			trans	157.3	125.7	138.5	-76	-4.3	0	0	0	108.7
392	A	36.4	Very low	36.4	Very low	90 Å²	90	139.5 Å²	139.5	74%	0.744	76%	0.758	S	S	*	*			cis	75.7	131.1	49.9	0	0	0	0	0	112.1
393	L	34.1	Very low	36.2	Very low	158 Å²	158	144.9 Å²	144.9	83%	0.827	76%	0.758	S	S	*	*			cis	-163.3	177.8	-1.9	-175.6	68.3	0	0	0	107.6
394	V	36.5	Very low	35.8	Very low	113 Å²	113	143.1 Å²	143.1	69%	0.685	75%	0.754	S	S	*	*			trans	76.6	141	162.4	-168.7	0	0	0	0	115.2
395	H	36.7	Very low	35.6	Very low	176 Å²	176	145.9 Å²	145.9	82%	0.815	76%	0.764	S	S	*	*			cis	-132.7	156.4	-5.8	-125.5	-57.3	0	0	0	109.4
396	S	31	Very low	35.5	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	79%	0.787	S	S	*	*			trans	-87.9	146.4	156	-56.8	0	0	0	0	109.9
397	E	35.3	Very low	35.5	Very low	199 Å²	199	145.2 Å²	145.2	93%	0.93	79%	0.785	S	S	*	*				-161.4	163	129.5	-114.7	170.1	161.2	0	0	111.2
398	S	31.4	Very low	35.3	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	78%	0.775	S	S	*	*			trans	-133.8	142.7	-170.6	55.4	0	0	0	0	110.6
399	D	35.1	Very low	35.3	Very low	161 Å²	161	138.3 Å²	138.3	86%	0.861	77%	0.77	S	S	*	*			trans	-151.2	171.1	148.1	-142.7	-15.3	0	0	0	113.6
400	V	36.2	Very low	35.3	Very low	134 Å²	134	133.2 Å²	133.2	81%	0.812	77%	0.765	S	S	*	*			trans	-99.3	150	-162.6	173.6	0	0	0	0	112.2
401	G	35.1	Very low	35	Very low	70 Å²	70	134 Å²	134	72%	0.722	78%	0.775	S	S	*	*			trans	175.7	101.7	164.2	0	0	0	0	0	116.4
402	N	33.9	Very low	34.8	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	78%	0.78	S	S	*	*			trans	0.8	149.3	152.7	-69.5	-35.1	0	0	0	119.6
403	R	34.7	Very low	34.4	Very low	205 Å²	205	137.8 Å²	137.8	77%	0.774	78%	0.781	S	S	*	*			cis	-164.7	160.3	40.6	-152.6	170.9	-176.9	140.2	-1.4	111.9	E405	R403-E405 IonicContact NE-OE1 3.32Å
404	T	31.5	Very low	34.4	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	78%	0.778	S	S	*	*			trans	-133.2	123.4	177.2	-50.5	0	0	0	0	111.8
405	E	36.6	Very low	34.2	Very low	158 Å²	158	135.9 Å²	135.9	74%	0.738	78%	0.782	S	S	*	*			trans	-140.4	125.5	166.6	-67	174.1	178.5	0	0	105.3	R403	R403-E405 IonicContact NE-OE1 3.32Å
406	V	36	Very low	33.9	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	78%	0.78	S	S	*	*			cis	83.5	108.6	32.1	-173	0	0	0	0	113.3
407	G	37.4	Very low	34.1	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	78%	0.784	S	S	*	*			trans	148.6	86.3	-175.6	0	0	0	0	0	110.6
408	N	34.4	Very low	33.8	Very low	120 Å²	120	134.2 Å²	134.2	64%	0.642	78%	0.78	S	S	*	*			cis	95.5	129.9	25.3	-160.9	20.2	0	0	0	114
409	H	38.4	Very low	33.8	Very low	166 Å²	166	138 Å²	138	77%	0.769	79%	0.786	S	S	*	*			trans	64.9	151.2	178.3	-57.1	-51.3	0	0	0	117
410	S	35.2	Very low	33.5	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	78%	0.78	S	S	*	*			cis	-155.8	136.5	-12.4	164.7	0	0	0	0	109.7
411	S	30.7	Very low	33.4	Very low	118 Å²	118	135 Å²	135	83%	0.825	78%	0.783	S	S	*	*			trans	-86.5	142.6	167.2	47.9	0	0	0	0	111.4
412	K	35.1	Very low	33.1	Very low	205 Å²	205	142.1 Å²	142.1	89%	0.891	79%	0.794	S	S	*	*			trans	-139.6	140.5	164.5	-83	-167.4	174	-177.8	0	111.1
413	S	28	Very low	33.1	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	79%	0.79	S	S	*	*			trans	-125.8	179	167.9	-175.1	0	0	0	0	108
414	S	32.4	Very low	32.9	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	79%	0.793	S	S	*	*			trans	67.5	152.2	-169	76.7	0	0	0	0	113.6
415	T	33.2	Very low	33.1	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	79%	0.793	S	S	*	*			cis	-141.2	155.8	22.8	-63.9	0	0	0	0	112.6
416	V	30.5	Very low	32.9	Very low	128 Å²	128	138.3 Å²	138.3	78%	0.776	80%	0.8	S	S	*	*			trans	-80.4	132.1	171	173.7	0	0	0	0	110.8
417	V	34.5	Very low	32.7	Very low	135 Å²	135	136 Å²	136	82%	0.818	79%	0.791	S	S	*	*			trans	-133.5	136.6	156.1	-178.7	0	0	0	0	108.7
418	Q	29.5	Very low	32.6	Very low	180 Å²	180	143.3 Å²	143.3	84%	0.841	80%	0.797	S	S	*	*			trans	-125.3	121	179.6	167	-170.1	-17.2	0	0	107.4
419	E	30.6	Very low	32.6	Very low	192 Å²	192	146 Å²	146	90%	0.897	81%	0.811	S	S	*	*			trans	-150.2	159.9	163.9	-145.9	162.3	-148	0	0	112.4
420	S	29.4	Very low	32.6	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	81%	0.813	S	S	*	*			trans	-123.9	132.2	-163.8	172	0	0	0	0	111.4
421	S	34.2	Very low	32.5	Very low	124 Å²	124	143.7 Å²	143.7	87%	0.867	82%	0.819	S	S	*	*			trans	-154.7	144.3	167.3	-82.8	0	0	0	0	111.4
422	K	29.2	Very low	32.8	Very low	220 Å²	220	143.3 Å²	143.3	96%	0.957	82%	0.816	S	S	*	*			trans	-80.7	136.9	-176	-61.7	169.8	-178.7	172.6	0	110.7
423	G	33	Very low	33.2	Very low	72 Å²	72	138.7 Å²	138.7	74%	0.742	81%	0.807	S	S	*	*			trans	-154.1	117.2	173	0	0	0	0	0	112.5
424	T	30.3	Very low	33.8	Very low	136 Å²	136	141.1 Å²	141.1	83%	0.834	81%	0.811	S	S	*	*			trans	-79.6	128	-176.6	-51.8	0	0	0	0	112
425	P	36.7	Very low	34.1	Very low	121 Å²	121	141.4 Å²	141.4	79%	0.786	81%	0.811	S	S	*	*			trans	-76.5	124.9	166.7	-0.6	17.1	0	0	0	110.3
426	R	33	Very low	34.3	Very low	234 Å²	234	144.9 Å²	144.9	88%	0.883	82%	0.815	S	S	*	*			trans	-116.7	144.2	171.1	-155.3	-179.5	-168.3	-179.6	4.2	107.5
427	S	31.6	Very low	34.5	Very low	85 Å²	85	144.3 Å²	144.3	59%	0.594	82%	0.817	S	S	*	*			trans	69.9	154.5	-165.2	87.4	0	0	0	0	112.2
428	Y	35.1	Very low	34.6	Very low	225 Å²	225	149.9 Å²	149.9	88%	0.882	82%	0.823	S	S	*	*			cis	-116.4	132.2	27.7	-62.5	-92.7	0	0	0	114.4
429	L	33.2	Very low	35	Very low	178 Å²	178	145.9 Å²	145.9	93%	0.932	82%	0.821	S	S	*	*			trans	-86.9	103.3	162.2	-101.7	152.8	0	0	0	108
430	A	38.6	Very low	35.1	Very low	98 Å²	98	144.9 Å²	144.9	81%	0.81	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78.6	121	172.9	0	0	0	0	0	110
431	S	33.5	Very low	35.4	Very low	115 Å²	115	144.3 Å²	144.3	80%	0.804	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.7	126.7	-179.8	53.8	0	0	0	0	112.4
432	S	38.4	Very low	35.4	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.8	130.7	165.3	-171.1	0	0	0	0	110.4
433	P	43.4	Very low	35.7	Very low	109 Å²	109	141 Å²	141	71%	0.708	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-84.1	129.9	176.2	32	-31.9	0	0	0	112.1	P435	P433-P435 WeakPolarHBondContact O-CD 3.41Å
434	N	40.1	Very low	35.6	Very low	162 Å²	162	143.7 Å²	143.7	87%	0.866	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.4	135.8	173.5	-69.8	-28.9	0	0	0	112.1
435	P	37.6	Very low	36	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	81%	0.814	S	S	*	*			trans	-114.1	52.6	169.1	40	-30.5	0	0	0	112.9	P433	P433-P435 WeakPolarHBondContact O-CD 3.41Å
436	F	37.2	Very low	36	Very low	195 Å²	195	144 Å²	144	86%	0.855	81%	0.813	S	S	*	*			trans	-133.5	99.3	167.5	-85.6	-72.5	0	0	0	111.2
437	S	34.8	Very low	35.9	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	81%	0.812	S	S	*	*			trans	-160.8	126.1	173.6	-77.8	0	0	0	0	109.7
438	R	37.6	Very low	36.2	Very low	252 Å²	252	138.6 Å²	138.6	95%	0.951	82%	0.823	S	S	*	*			trans	69.7	139.9	-166	-53.2	174.3	173.2	167.1	-3.3	112.8
439	A	36.9	Very low	36.2	Very low	96 Å²	96	139.8 Å²	139.8	79%	0.793	83%	0.826	S	S	*	*			cis	-136.6	157.5	12.3	0	0	0	0	0	113.4
440	N	32.9	Very low	36.4	Very low	172 Å²	172	135.7 Å²	135.7	92%	0.92	82%	0.819	S	S	*	*			trans	-101.7	124.6	168.5	-77.2	-12.8	0	0	0	110.1
441	A	36.4	Very low	36.3	Very low	95 Å²	95	138.6 Å²	138.6	79%	0.785	82%	0.82	S	S	*	*			trans	178.1	118.4	152.5	0	0	0	0	0	105.5
442	A	33.8	Very low	36.3	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	82%	0.818	S	S	*	*			cis	78.1	125.7	49.8	0	0	0	0	0	113.5
443	E	36.4	Very low	36.4	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	82%	0.824	S	S	*	*			trans	72.9	94.6	160.4	-56	-170.8	130.5	0	0	121
444	T	31.5	Very low	36.1	Very low	129 Å²	129	139.2 Å²	139.2	79%	0.791	83%	0.83	S	S	*	*				41.2	143.9	113.3	-29	0	0	0	0	122.2
445	I	38.4	Very low	35.8	Very low	154 Å²	154	136.8 Å²	136.8	79%	0.79	83%	0.825	S	S	*	*			trans	111.5	122.2	153.2	-57.4	-175.3	0	0	0	118.2
446	S	35.5	Very low	36.1	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	82%	0.823	S	S	*	*			trans	48.8	100.4	153.7	-61.1	0	0	0	0	124.6
447	A	31.9	Very low	36	Very low	103 Å²	103	133.3 Å²	133.3	85%	0.851	82%	0.82	S	S	*	*				48.1	101.5	107.8	0	0	0	0	0	122.8
448	A	37.7	Very low	35.9	Very low	102 Å²	102	132.9 Å²	132.9	84%	0.843	82%	0.817	S	S	*	*			trans	-152.5	123.2	136.1	0	0	0	0	0	107.5
449	R	34.3	Very low	35.9	Very low	250 Å²	250	128 Å²	128	94%	0.943	81%	0.808	S	S	*	*			cis	96.4	61.7	35	-159.2	-169.9	-166.6	164.2	6.8	115
450	A	38.1	Very low	35.8	Very low	93 Å²	93	134 Å²	134	77%	0.769	81%	0.811	S	S	*	*			trans	-174.6	146	154.2	0	0	0	0	0	109.3
451	L	36	Very low	35.6	Very low	159 Å²	159	132.2 Å²	132.2	83%	0.832	81%	0.806	S	S	*	*			cis	-160	131	-25.2	-145.9	151.5	0	0	0	106.6
452	P	33.7	Very low	35.5	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	81%	0.808	S	S	*	*			trans	-87.5	156.4	-174.2	34.2	-36.1	0	0	0	113.6
453	S	39.9	Very low	35.3	Very low	127 Å²	127	138.1 Å²	138.1	89%	0.888	81%	0.814	S	S	*	*			trans	-126.9	149.8	159.2	65.5	0	0	0	0	110.2
454	A	38.2	Very low	35.4	Very low	101 Å²	101	137.9 Å²	137.9	84%	0.835	82%	0.816	S	S	*	*			trans	-126.4	162.6	-168.6	0	0	0	0	0	113.1
455	S	33.8	Very low	35.5	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	81%	0.814	S	S	*	*			trans	-75.7	-175.5	167.7	59.2	0	0	0	0	110.8
456	P	42.9	Very low	35.1	Very low	108 Å²	108	141.7 Å²	141.7	70%	0.701	82%	0.821	S	S	*	*			cis	-146.1	178.1	11.3	45.8	-26.1	0	0	0	118.8
457	T	35.3	Very low	35.2	Very low	130 Å²	130	146.7 Å²	146.7	80%	0.798	83%	0.828	S	S	*	*			trans	34	127.3	149.7	-35.5	0	0	0	0	122.9
458	S	32.7	Very low	35.3	Very low	108 Å²	108	146.4 Å²	146.4	76%	0.755	83%	0.826	S	S	*	*				140.7	165.5	116.6	-155.6	0	0	0	0	116.9
459	I	37.5	Very low	35.2	Very low	149 Å²	149	147 Å²	147	76%	0.764	82%	0.824	S	S	*	*			trans	83.2	87.7	163.4	-50.6	-173.4	0	0	0	119.2
460	R	34.1	Very low	35.4	Very low	222 Å²	222	141.4 Å²	141.4	84%	0.838	82%	0.818	S	S	*	*				65.4	105.8	115.2	-160.4	175	-169.7	-176.1	3.9	121.3
461	T	30	Very low	35.1	Very low	135 Å²	135	140.4 Å²	140.4	83%	0.828	82%	0.816	S	S	*	*			trans	18.9	120.5	142.4	60.3	0	0	0	0	120.2
462	G	33.9	Very low	35.2	Very low	79 Å²	79	139.1 Å²	139.1	81%	0.814	82%	0.82	S	S	*	*			trans	-153.3	136.3	163.3	0	0	0	0	0	112.8
463	Y	30.2	Very low	35.3	Very low	232 Å²	232	138 Å²	138	91%	0.91	82%	0.821	S	S	*	*			trans	-68.3	148.7	173.9	-117.6	-118.4	0	0	0	111
464	M	38.1	Very low	35.2	Very low	177 Å²	177	137 Å²	137	87%	0.872	82%	0.815	S	S	*	*			trans	-134	119	166.3	-99.1	-65.9	161.2	0	0	111.9
465	P	34.2	Very low	35.3	Very low	116 Å²	116	138.5 Å²	138.5	75%	0.753	81%	0.813	S	S	*	*			trans	-89.2	161.6	-179.7	35.4	-34.8	0	0	0	113.5
466	R	30.1	Very low	35.3	Very low	247 Å²	247	144.9 Å²	144.9	93%	0.932	82%	0.821	S	S	*	*			trans	-79.2	127.7	-176	-176.8	-171.7	-168.1	-176.8	5.3	112.8
467	K	37.3	Very low	35	Very low	213 Å²	213	148.8 Å²	148.8	93%	0.926	83%	0.829	S	S	*	*			trans	-143.2	165.2	156	-104.8	-179.4	-178.7	179.4	0	110.8
468	A	33.4	Very low	35.2	Very low	97 Å²	97	148.6 Å²	148.6	80%	0.802	83%	0.827	S	S	*	*			trans	-133.4	-170.7	-166.8	0	0	0	0	0	111.9
469	S	35.8	Very low	35.4	Very low	114 Å²	114	153.5 Å²	153.5	80%	0.797	84%	0.835	S	S	*	*			trans	95.5	137.2	179.6	-155.4	0	0	0	0	114.1
470	V	37.4	Very low	35.4	Very low	134 Å²	134	149.3 Å²	149.3	81%	0.812	83%	0.829	S	S	*	*			cis	-158.8	153.5	-13.9	121.4	0	0	0	0	109.5
471	G	33.6	Very low	35.5	Very low	72 Å²	72	144.8 Å²	144.8	74%	0.742	83%	0.832	S	S	*	*			trans	81.2	156.7	161.8	0	0	0	0	0	116.6
472	S	37.4	Very low	36	Very low	131 Å²	131	149.1 Å²	149.1	92%	0.916	83%	0.833	S	S	*	*			cis	-145.8	173.9	-8.3	-162.8	0	0	0	0	111.4
473	A	34.8	Very low	36.5	Very low	95 Å²	95	152.4 Å²	152.4	79%	0.785	83%	0.831	S	S	*	*			trans	-80.7	156.7	-160	0	0	0	0	0	117
474	S	38.2	Very low	37.1	Very low	108 Å²	108	149.5 Å²	149.5	76%	0.755	83%	0.826	S	S	*	*				-162.1	175.6	120.6	-155	0	0	0	0	113.3
475	T	39.7	Very low	37.1	Very low	132 Å²	132	151.7 Å²	151.7	81%	0.81	82%	0.824	S	S	*	*			trans	56	62.5	161.4	50.2	0	0	0	0	120.9
476	R	34.6	Very low	37.5	Very low	244 Å²	244	152.2 Å²	152.2	92%	0.921	82%	0.819	S	S	*	*			trans	-140.6	106.7	139.2	-73.4	-167.8	-178.4	162.8	3	110.7
477	H	37.1	Very low	38	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.875	82%	0.815	S	S	*	*			trans	-151.4	40	-175.7	-145.1	-75.6	0	0	0	116
478	V	39.9	Very low	38.1	Very low	126 Å²	126	144.7 Å²	144.7	76%	0.764	80%	0.803	S	S	*	*	S	Bend	trans	-134.8	151	169.9	-159.3	0	0	0	0	108.9
479	F	37.2	Very low	38.4	Very low	211 Å²	211	145.5 Å²	145.5	93%	0.925	80%	0.798	S	S	*	*	S	Bend	trans	61.6	65.7	-179.7	-68.1	-83.6	0	0	0	116.7
480	G	37.4	Very low	38.5	Very low	62 Å²	62	146 Å²	146	64%	0.639	80%	0.796	S	S	*	*			trans	-140	-25.9	164.9	0	0	0	0	0	115.8	R482	G480-R482 PolarHBondContact O-N 2.98Å
481	S	36.1	Very low	38.6	Very low	127 Å²	127	146.9 Å²	146.9	89%	0.888	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	9.3	-159.2	47.8	0	0	0	0	117.2
482	R	40.7	Very low	38.8	Very low	226 Å²	226	149.5 Å²	149.5	85%	0.853	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-1.8	-172.2	-134.2	179.5	-173	-168.6	1.5	117.1	G480	G480-R482 PolarHBondContact O-N 2.98Å
483	L	42.8	Very low	38.8	Very low	148 Å²	148	152 Å²	152	78%	0.775	80%	0.799	S	S	*	*	S	Bend	trans	-110.5	-9.5	-175.7	-137.4	75.1	0	0	0	115.7
484	Q	42.7	Very low	38.8	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	80%	0.796	S	S	*	*	S	Bend	trans	-94.6	-12.5	-179	-104.6	173.1	-29.4	0	0	114.7	I486	Q484-I486 VanDerWaalsContact C-N 3.31Å; Q484-I486 PolarHBondContact O-N 2.98Å
485	R	38.7	Very low	38.8	Very low	224 Å²	224	150.4 Å²	150.4	85%	0.845	80%	0.799	S	S	*	*	S	Bend	trans	-88.9	13.1	179.7	-159	176.8	-79.8	-178.7	-5.3	114
486	I	41.8	Very low	38.6	Very low	127 Å²	127	151.2 Å²	151.2	65%	0.651	80%	0.804	S	S	*	*	S	Bend	trans	-117.5	-14.6	-179.2	-63.6	174	0	0	0	112	Q484	Q484-I486 VanDerWaalsContact C-N 3.31Å; Q484-I486 PolarHBondContact O-N 2.98Å
487	K	41	Very low	38.7	Very low	191 Å²	191	143.1 Å²	143.1	83%	0.83	80%	0.796	S	S	*	*	S	Bend	trans	-95	7.4	-178.8	-71.5	-167.2	172.6	-172.8	0	115.1
488	T	40.5	Very low	38.7	Very low	111 Å²	111	144 Å²	144	68%	0.681	80%	0.798	S	S	*	*	S	Bend	trans	-129.2	9.4	-171.2	-18.3	0	0	0	0	113.9
489	T	38.8	Very low	38.5	Very low	113 Å²	113	146.7 Å²	146.7	69%	0.693	81%	0.807	S	S	*	*	S	Bend	trans	-127.2	23.6	-174.9	-32.8	0	0	0	0	112.2
490	V	38.9	Very low	38.8	Very low	125 Å²	125	142.3 Å²	142.3	76%	0.758	80%	0.802	S	S	*	*	S	Bend	trans	-138.4	50.2	174.4	-164.9	0	0	0	0	108.8
491	N	39	Very low	39.2	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	81%	0.809	S	S	*	*	S	Bend	trans	-147.7	21.7	177.9	-102	-16.5	0	0	0	112.4
492	T	38.5	Very low	39.7	Very low	126 Å²	126	144.1 Å²	144.1	77%	0.773	81%	0.806	S	S	*	*	S	Bend	trans	-153.7	156.3	171.6	-25.3	0	0	0	0	107.2
493	I	36.4	Very low	40.2	Very low	183 Å²	183	138.4 Å²	138.4	94%	0.938	80%	0.798	S	S	*	*	S	Bend	trans	73.6	124.1	-168.5	-48.2	161.5	0	0	0	111.5
494	G	35.6	Very low	41.1	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	80%	0.796	S	S	*	*			trans	138.7	2.9	-178.2	0	0	0	0	0	116.4	T496	G494-T496 PolarHBondContact O-N 2.63Å
495	A	36.7	Very low	41.7	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	80%	0.798	S	S	*	*			trans	-78.2	79.3	179.4	0	0	0	0	0	112.7
496	T	36.8	Very low	42.4	Very low	149 Å²	149	129.7 Å²	129.7	91%	0.914	80%	0.797	S	S	*	*			trans	176.1	136.5	152.4	18.8	0	0	0	0	110.4	G494	G494-T496 PolarHBondContact O-N 2.63Å
497	G	36.9	Very low	43.2	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	80%	0.799	S	S	*	*			trans	127	94.9	165.1	0	0	0	0	0	116.5
498	K	36.7	Very low	43.7	Very low	208 Å²	208	124.1 Å²	124.1	90%	0.904	80%	0.796	S	S	*	*			trans	41.6	118.7	154.1	-67.3	-179.3	175.8	179.5	0	119.3
499	L	36.1	Very low	44.1	Very low	182 Å²	182	123 Å²	123	95%	0.953	79%	0.79	S	S	*	*			trans	-59.3	134.6	164.6	-70.5	73.8	0	0	0	111.2
500	S	41.8	Very low	44.2	Very low	119 Å²	119	122.6 Å²	122.6	83%	0.832	79%	0.79	S	S	*	*			trans	-147.7	149.2	154.6	-169	0	0	0	0	108.2
501	A	47	Very low	44.4	Very low	95 Å²	95	123.3 Å²	123.3	79%	0.785	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.8	136.3	-160.1	0	0	0	0	0	114.4
502	T	46.5	Very low	44.9	Very low	133 Å²	133	119.4 Å²	119.4	82%	0.816	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68	131.5	166.5	-43	0	0	0	0	109.8
503	P	51.9	Low	45.8	Very low	106 Å²	106	115.9 Å²	115.9	69%	0.688	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-68.2	152.4	174.5	28.9	-34.8	0	0	0	111.6
504	P	59.9	Low	47	Very low	114 Å²	114	107.8 Å²	107.8	74%	0.74	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65.6	159.2	177.5	28.6	-35.4	0	0	0	112	S506	P504-S506 PolarHBondContact O-N 3.38Å
505	P	57.1	Low	48.5	Very low	127 Å²	127	107.1 Å²	107.1	83%	0.825	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.1	178.5	25.8	-34.9	0	0	0	111.3	A507	P505-A507 PolarHBondContact O-N 3.09Å
506	S	53.5	Low	50.5	Low	117 Å²	117	103 Å²	103	82%	0.818	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-55.6	129.3	176.5	56.1	0	0	0	0	111.4	P504	P504-S506 PolarHBondContact O-N 3.38Å
507	A	57.4	Low	52.8	Low	86 Å²	86	104.6 Å²	104.6	71%	0.711	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-53.2	149.5	177.6	0	0	0	0	0	112.3	P505	P505-A507 PolarHBondContact O-N 3.09Å
508	P	51.7	Low	55.1	Low	116 Å²	116	103.6 Å²	103.6	75%	0.753	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-58.1	145.2	176.2	25.3	-34.8	0	0	0	110.9
509	P	49.2	Very low	57.6	Low	87 Å²	87	93.7 Å²	93.7	57%	0.565	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-60	143.4	179.8	25.7	-34.2	0	0	0	110.7	S511	P509-S511 PolarHBondContact O-N 2.97Å
510	P	39.7	Very low	60.1	Low	105 Å²	105	92 Å²	92	68%	0.682	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-58.9	133	-175	23.3	-33.7	0	0	0	111.1	G512 S513	P510-G512 PolarHBondContact O-N 3.19Å; P510-S513 PolarHBondContact O-N 3.21Å; P510-S513 PolarHBondContact O-OG 3.37Å
511	S	43.1	Very low	62.5	Low	140 Å²	140	94.8 Å²	94.8	98%	0.979	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	5	-163.4	47.9	0	0	0	0	117	P509	P509-S511 PolarHBondContact O-N 2.97Å
512	G	51.2	Low	64.6	Low	70 Å²	70	90.6 Å²	90.6	72%	0.722	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-2.2	170.9	0	0	0	0	0	115.4	P510	P510-G512 PolarHBondContact O-N 3.19Å
513	S	55.8	Low	66.8	Low	52 Å²	52	87.3 Å²	87.3	36%	0.364	53%	0.53	S	S	.	.	S	Bend	trans	-82.4	-25.4	-172.3	70.8	0	0	0	0	115.1	K282 P510 T515	K282-S513 WeakPolarHBondContact CE-O 3.34Å; K282-S513 PolarHBondContact NZ-O 3.27Å; P510-S513 PolarHBondContact O-N 3.21Å; P510-S513 PolarHBondContact O-OG 3.37Å; S513-T515 PolarHBondContact O-N 3.3Å
514	G	61.5	Low	68.7	Low	13 Å²	13	87.7 Å²	87.7	13%	0.134	53%	0.525	C	S	.	.	S	Bend	trans	-72.2	-20.2	-164.8	0	0	0	0	0	116.1	K282	K282-G514 VanDerWaalsContact CD-O 3.31Å; K282-G514 WeakPolarHBondContact CD-O 3.42Å; K282-G514 VanDerWaalsContact CE-O 3.27Å; K282-G514 WeakPolarHBondContact CE-O 3.14Å; K282-G514 VanDerWaalsContact CG-O 3.31Å; K282-G514 WeakPolarHBondContact CG-O 3.2Å; K282-G514 PolarHBondContact N-O 3.09Å
515	T	67.5	Low	70.3	Confident	56 Å²	56	87.4 Å²	87.4	34%	0.344	52%	0.516	S	S	.	.	S	Bend	trans	-81	145.3	179.1	-34	0	0	0	0	111.2	K282 S513 D519	K282-T515 PolarHBondContact NZ-O 2.86Å; S513-T515 PolarHBondContact O-N 3.3Å; T515-D519 HydrophobicContact CG2-CB 3.91Å
516	S	78.5	Confident	72	Confident	16 Å²	16	82.4 Å²	82.4	11%	0.112	48%	0.482	C	S	.	.			trans	-82.1	153.4	163.9	-172.1	0	0	0	0	110.4	I518 D519 K520	S516-I518 PolarHBondContact O-N 3.4Å; S516-I518 PolarHBondContact OG-N 3.46Å; S516-D519 WeakPolarHBondContact CA-OD2 3.22Å; S516-D519 WeakPolarHBondContact CB-OD2 3.29Å; S516-D519 PolarHBondContact N-OD2 3.29Å; S516-K520 PolarHBondContact O-N 2.88Å
517	K	85.3	Confident	73.9	Confident	181 Å²	181	79 Å²	79	79%	0.787	46%	0.456	S	S	*	.	H	α-helix	trans	-61.9	-30.7	167.4	-70.7	-171.8	176.8	-174	0	111.2	K520 Y521	K517-K520 PolarHBondContact O-N 2.97Å; K517-Y521 WeakPolarHBondContact O-CD2 3.22Å; K517-Y521 PolarHBondContact O-N 3.06Å
518	I	86.9	Confident	75.6	Confident	52 Å²	52	79.4 Å²	79.4	27%	0.267	45%	0.45	S	S	.	.	H	α-helix	trans	-69.4	-52	179.5	-52.3	172.8	0	0	0	109.8	E336 A339 V340 F343 S516 K520 Y521 A522	E336-I518 HydrophobicContact CG-CG2 4.01Å; E336-I518 WeakPolarHBondContact OE1-CG2 3.49Å; A339-I518 HydrophobicContact CB-CD1 4.45Å; V340-I518 HydrophobicContact CG2-CB 3.76Å; V340-I518 HydrophobicContact CG2-CD1 4.08Å; V340-I518 HydrophobicContact CG2-CG1 4.44Å; V340-I518 HydrophobicContact CG2-CG2 4.03Å; F343-I518 HydrophobicContact CD2-CD1 3.68Å; F343-I518 HydrophobicContact CE2-CD1 4.3Å; S516-I518 PolarHBondContact O-N 3.4Å; S516-I518 PolarHBondContact OG-N 3.46Å; I518-K520 PolarHBondContact O-N 3.28Å; I518-K520 VanDerWaalsContact O-N 3.09Å; I518-Y521 PolarHBondContact O-N 3.26Å; I518-A522 PolarHBondContact O-N 3.1Å
519	D	88.1	Confident	77.7	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-46.4	-44.3	173.4	-55.2	-32.9	0	0	0	111.9	R288 E336 T515 S516 Y521 A522 R523	R288-D519 IonicContact CZ-OD1 3.48Å; R288-D519 VanDerWaalsContact CZ-OD1 3.22Å; R288-D519 IonicContact NH1-OD1 2.89Å; R288-D519 PolarHBondContact NH1-OD1 2.89Å; R288-D519 IonicContact NH1-OD2 2.86Å; R288-D519 PolarHBondContact NH1-OD2 3.49Å; R288-D519 IonicContact NH2-OD1 2.83Å; R288-D519 PolarHBondContact NH2-OD1 3.48Å; E336-D519 PolarHBondContact OE1-N 2.69Å; T515-D519 HydrophobicContact CG2-CB 3.91Å; S516-D519 WeakPolarHBondContact CA-OD2 3.22Å; S516-D519 WeakPolarHBondContact CB-OD2 3.29Å; S516-D519 PolarHBondContact N-OD2 3.29Å; D519-Y521 VanDerWaalsContact C-N 3.32Å; D519-Y521 PolarHBondContact O-N 3.1Å; D519-A522 PolarHBondContact O-N 3.2Å; D519-R523 WeakPolarHBondContact O-CB 3.4Å; D519-R523 WeakPolarHBondContact O-CG 3.47Å; D519-R523 PolarHBondContact O-N 3.03Å
520	K	89.4	Confident	79.9	Confident	148 Å²	148	73 Å²	73	64%	0.643	41%	0.406	S	S	*	.	H	α-helix	trans	-63.1	-35.7	-178	-171.1	178.4	179	-178	0	112.6	S516 K517 I518	S516-K520 PolarHBondContact O-N 2.88Å; K517-K520 PolarHBondContact O-N 2.97Å; I518-K520 PolarHBondContact O-N 3.28Å; I518-K520 VanDerWaalsContact O-N 3.09Å
521	Y	91.3	Very high	82.5	Confident	177 Å²	177	69.6 Å²	69.6	69%	0.694	39%	0.39	S	S	*	.	H	α-helix	trans	-78.2	-41.4	173.1	-67.2	-65	0	0	0	111.6	K517 I518 D519 R523 I524 L525	K517-Y521 WeakPolarHBondContact O-CD2 3.22Å; K517-Y521 PolarHBondContact O-N 3.06Å; I518-Y521 PolarHBondContact O-N 3.26Å; D519-Y521 VanDerWaalsContact C-N 3.32Å; D519-Y521 PolarHBondContact O-N 3.1Å; Y521-R523 VanDerWaalsContact C-N 3.33Å; Y521-R523 PolarHBondContact O-N 3.05Å; Y521-I524 PolarHBondContact O-N 3.07Å; Y521-I524 VanDerWaalsContact O-N 3.08Å; Y521-L525 WeakPolarHBondContact O-CB 3.46Å; Y521-L525 PolarHBondContact O-N 3.44Å
522	A	92	Very high	85	Confident	6 Å²	6	65.4 Å²	65.4	5%	0.05	36%	0.364	C	S	.	.	H	α-helix	trans	-58.3	-42.6	-179.4	0	0	0	0	0	112.5	F278 E336 I518 D519 I524 L525 F526	F278-A522 HydrophobicContact CD1-CB 4Å; F278-A522 HydrophobicContact CD2-CB 3.98Å; F278-A522 HydrophobicContact CE1-CB 4.11Å; F278-A522 HydrophobicContact CE2-CB 4.08Å; F278-A522 HydrophobicContact CG-CB 3.95Å; F278-A522 HydrophobicContact CZ-CB 4.15Å; E336-A522 HydrophobicContact CG-CB 3.93Å; I518-A522 PolarHBondContact O-N 3.1Å; D519-A522 PolarHBondContact O-N 3.2Å; A522-I524 PolarHBondContact O-N 3.07Å; A522-L525 PolarHBondContact O-N 3.29Å; A522-F526 HydrophobicContact CB-CD2 4.02Å; A522-F526 HydrophobicContact CB-CE2 4.11Å; A522-F526 WeakPolarHBondContact O-CB 3.34Å; A522-F526 PolarHBondContact O-N 3.44Å
523	R	92.2	Very high	87.1	Confident	65 Å²	65	64.2 Å²	64.2	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-56.5	-18.3	175	-73.6	169.9	-166.4	-168.3	1.8	115.3	F278 W279 D519 Y521 P527	F278-R523 HydrophobicContact CB-CG 3.8Å; F278-R523 VanDerWaalsContact O-CZ 3.22Å; F278-R523 PolarHBondContact O-NE 3.33Å; F278-R523 PolarHBondContact O-NH2 2.74Å; W279-R523 HydrophobicContact CD2-CG 4.2Å; W279-R523 HydrophobicContact CE3-CG 4.36Å; W279-R523 HydrophobicContact CH2-CB 4.5Å; W279-R523 HydrophobicContact CH2-CG 4.33Å; W279-R523 HydrophobicContact CZ2-CB 4.36Å; W279-R523 HydrophobicContact CZ2-CG 4.15Å; W279-R523 HydrophobicContact CZ3-CG 4.43Å; D519-R523 WeakPolarHBondContact O-CB 3.4Å; D519-R523 WeakPolarHBondContact O-CG 3.47Å; D519-R523 PolarHBondContact O-N 3.03Å; Y521-R523 VanDerWaalsContact C-N 3.33Å; Y521-R523 PolarHBondContact O-N 3.05Å; R523-P527 WeakPolarHBondContact O-CG 3.41Å
524	I	92	Very high	89	Confident	114 Å²	114	62.8 Å²	62.8	59%	0.585	33%	0.328	S	S	*	.	H	α-helix	trans	-107.7	-47.4	176.8	-61.3	170.7	0	0	0	109.7	Y521 A522 V528	Y521-I524 PolarHBondContact O-N 3.07Å; Y521-I524 VanDerWaalsContact O-N 3.08Å; A522-I524 PolarHBondContact O-N 3.07Å; I524-V528 HydrophobicContact CG2-CG2 4.38Å; I524-V528 WeakPolarHBondContact O-CB 3.35Å; I524-V528 VanDerWaalsContact O-CG2 3.23Å; I524-V528 WeakPolarHBondContact O-CG2 3.46Å; I524-V528 PolarHBondContact O-N 3.41Å
525	L	92.6	Very high	90.5	Very high	107 Å²	107	68.4 Å²	68.4	56%	0.56	35%	0.352	S	S	*	.	H	α-helix	trans	-63.4	-45.9	-174.2	-175.6	63.6	0	0	0	112.6	Y521 A522 T529	Y521-L525 WeakPolarHBondContact O-CB 3.46Å; Y521-L525 PolarHBondContact O-N 3.44Å; A522-L525 PolarHBondContact O-N 3.29Å; L525-T529 HydrophobicContact CD1-CG2 3.96Å; L525-T529 WeakPolarHBondContact O-CB 3.19Å; L525-T529 WeakPolarHBondContact O-CG2 3.12Å; L525-T529 PolarHBondContact O-N 3.16Å; L525-T529 PolarHBondContact O-OG1 3.15Å
526	F	92.5	Very high	91.8	Very high	23 Å²	23	70.3 Å²	70.3	10%	0.101	36%	0.363	C	S	.	.	H	α-helix	trans	-68.5	-49.3	-176.6	-80.3	-111.1	0	0	0	112.9	Q275 F278 F329 A333 E336 A522 V528 T529 F530	Q275-F526 HydrophobicContact CG-CB 4.1Å; F278-F526 HydrophobicContact CE2-CB 3.77Å; F278-F526 AromaticContact CE2-CD1 3.95Å; F278-F526 HydrophobicContact CE2-CD1 3.95Å; F278-F526 AromaticContact CE2-CD2 3.81Å; F278-F526 HydrophobicContact CE2-CD2 3.81Å; F278-F526 HydrophobicContact CE2-CE1 4.45Å; F278-F526 HydrophobicContact CE2-CE2 4.33Å; F278-F526 AromaticContact CE2-CG 3.59Å; F278-F526 HydrophobicContact CE2-CG 3.59Å; F278-F526 HydrophobicContact CZ-CB 4.45Å; F278-F526 AromaticContact CZ-CD1 3.8Å; F278-F526 HydrophobicContact CZ-CD1 3.8Å; F278-F526 AromaticContact CZ-CD2 3.83Å; F278-F526 HydrophobicContact CZ-CD2 3.83Å; F278-F526 AromaticContact CZ-CE1 3.85Å; F278-F526 HydrophobicContact CZ-CE1 3.85Å; F278-F526 AromaticContact CZ-CE2 3.88Å; F278-F526 HydrophobicContact CZ-CE2 3.88Å; F278-F526 AromaticContact CZ-CG 3.79Å; F278-F526 HydrophobicContact CZ-CG 3.79Å; F278-F526 AromaticContact CZ-CZ 3.88Å; F278-F526 HydrophobicContact CZ-CZ 3.88Å; F329-F526 HydrophobicContact CD1-CD1 4.17Å; A333-F526 HydrophobicContact CB-CE1 4.33Å; E336-F526 HydrophobicContact CB-CZ 4.42Å; A522-F526 HydrophobicContact CB-CD2 4.02Å; A522-F526 HydrophobicContact CB-CE2 4.11Å; A522-F526 WeakPolarHBondContact O-CB 3.34Å; A522-F526 PolarHBondContact O-N 3.44Å; F526-V528 PolarHBondContact O-N 3.3Å; F526-T529 PolarHBondContact O-OG1 3.29Å; F526-F530 VanDerWaalsContact O-CB 3.3Å; F526-F530 WeakPolarHBondContact O-CB 3.35Å; F526-F530 PolarHBondContact O-N 3.01Å
527	P	93.6	Very high	92.5	Very high	44 Å²	44	70 Å²	70	29%	0.286	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-42.3	176.5	-23.8	32.4	0	0	0	113.2	R523 G531	R523-P527 WeakPolarHBondContact O-CG 3.41Å; P527-G531 PolarHBondContact O-N 3.09Å
528	V	94.4	Very high	92.8	Very high	95 Å²	95	63.7 Å²	63.7	58%	0.576	33%	0.331	S	S	*	.	H	α-helix	trans	-67.8	-45.1	-178	172.6	0	0	0	0	111.5	I524 F526 G531 A532	I524-V528 HydrophobicContact CG2-CG2 4.38Å; I524-V528 WeakPolarHBondContact O-CB 3.35Å; I524-V528 VanDerWaalsContact O-CG2 3.23Å; I524-V528 WeakPolarHBondContact O-CG2 3.46Å; I524-V528 PolarHBondContact O-N 3.41Å; F526-V528 PolarHBondContact O-N 3.3Å; V528-G531 PolarHBondContact O-N 3.38Å; V528-A532 WeakPolarHBondContact O-CB 3.11Å; V528-A532 PolarHBondContact O-N 2.93Å
529	T	95.2	Very high	93	Very high	57 Å²	57	65.6 Å²	65.6	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-69.2	-37.1	178.6	50.6	0	0	0	0	112.5	F329 L525 F526 F533	F329-T529 WeakPolarHBondContact CE1-OG1 3.45Å; L525-T529 HydrophobicContact CD1-CG2 3.96Å; L525-T529 WeakPolarHBondContact O-CB 3.19Å; L525-T529 WeakPolarHBondContact O-CG2 3.12Å; L525-T529 PolarHBondContact O-N 3.16Å; L525-T529 PolarHBondContact O-OG1 3.15Å; F526-T529 PolarHBondContact O-OG1 3.29Å; T529-F533 WeakPolarHBondContact O-CB 3.15Å; T529-F533 PolarHBondContact O-N 3.29Å
530	F	95.4	Very high	93.1	Very high	11 Å²	11	68.6 Å²	68.6	5%	0.048	36%	0.363	C	S	.	.	H	α-helix	trans	-69.1	-38	174.1	-174.7	-120.1	0	0	0	112.5	I268 V271 F329 F526 F533 N534	I268-F530 HydrophobicContact CG1-CZ 4.16Å; I268-F530 HydrophobicContact CG2-CE1 4.29Å; V271-F530 HydrophobicContact CB-CD1 4.47Å; V271-F530 HydrophobicContact CB-CE1 3.93Å; V271-F530 HydrophobicContact CB-CE2 4.11Å; V271-F530 HydrophobicContact CB-CZ 3.72Å; V271-F530 HydrophobicContact CG1-CD1 3.74Å; V271-F530 HydrophobicContact CG1-CD2 3.8Å; V271-F530 HydrophobicContact CG1-CE1 3.7Å; V271-F530 HydrophobicContact CG1-CE2 3.76Å; V271-F530 HydrophobicContact CG1-CG 3.79Å; V271-F530 HydrophobicContact CG1-CZ 3.71Å; V271-F530 HydrophobicContact CG2-CE2 3.99Å; V271-F530 HydrophobicContact CG2-CZ 3.93Å; F329-F530 HydrophobicContact CD1-CB 4.42Å; F329-F530 AromaticContact CD2-CD2 3.66Å; F329-F530 HydrophobicContact CD2-CD2 3.66Å; F329-F530 HydrophobicContact CD2-CE2 4.35Å; F329-F530 HydrophobicContact CE1-CB 4.09Å; F329-F530 HydrophobicContact CE2-CB 4.28Å; F329-F530 AromaticContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CG-CD2 4.2Å; F329-F530 HydrophobicContact CZ-CB 4.02Å; F329-F530 HydrophobicContact CZ-CD2 4.35Å; F526-F530 VanDerWaalsContact O-CB 3.3Å; F526-F530 WeakPolarHBondContact O-CB 3.35Å; F526-F530 PolarHBondContact O-N 3.01Å; F530-F533 HydrophobicContact CD2-CD1 4.1Å; F530-F533 HydrophobicContact CE2-CD1 4.12Å; F530-F533 HydrophobicContact CE2-CE1 4.5Å; F530-F533 PolarHBondContact O-N 3.35Å; F530-N534 WeakPolarHBondContact CE1-ND2 3.33Å; F530-N534 VanDerWaalsContact CE2-ND2 3.25Å; F530-N534 WeakPolarHBondContact CE2-ND2 3.29Å; F530-N534 WeakPolarHBondContact CZ-ND2 3.23Å; F530-N534 PolarHBondContact O-N 3.49Å; F530-N534 PolarHBondContact O-ND2 2.84Å
531	G	94.9	Very high	93	Very high	34 Å²	34	63.3 Å²	63.3	35%	0.351	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-46.4	173.3	0	0	0	0	0	112.4	P527 V528 F533 N534 M535	P527-G531 PolarHBondContact O-N 3.09Å; V528-G531 PolarHBondContact O-N 3.38Å; G531-F533 PolarHBondContact O-N 2.98Å; G531-N534 PolarHBondContact O-N 3.4Å; G531-M535 WeakPolarHBondContact O-CG 3.27Å; G531-M535 PolarHBondContact O-N 2.98Å
532	A	95.1	Very high	92.6	Very high	53 Å²	53	58.9 Å²	58.9	44%	0.438	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-42.8	174.8	0	0	0	0	0	112.2	V528 M535 V536	V528-A532 WeakPolarHBondContact O-CB 3.11Å; V528-A532 PolarHBondContact O-N 2.93Å; A532-M535 PolarHBondContact O-N 3.41Å; A532-V536 WeakPolarHBondContact O-CG2 3.43Å; A532-V536 PolarHBondContact O-N 3.31Å
533	F	95.5	Very high	92.1	Very high	45 Å²	45	61.2 Å²	61.2	20%	0.197	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-49.2	173.9	165.7	-107.9	0	0	0	112.1	F322 V325 F329 T529 F530 G531 M535 V536 Y537	F322-F533 AromaticContact CD2-CE1 3.79Å; F322-F533 HydrophobicContact CD2-CE1 3.79Å; F322-F533 AromaticContact CD2-CZ 3.84Å; F322-F533 HydrophobicContact CD2-CZ 3.84Å; F322-F533 AromaticContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CZ 4.29Å; V325-F533 HydrophobicContact CB-CD2 4.5Å; V325-F533 HydrophobicContact CB-CE1 4.06Å; V325-F533 HydrophobicContact CB-CE2 3.93Å; V325-F533 HydrophobicContact CB-CZ 3.68Å; V325-F533 HydrophobicContact CG1-CD1 3.78Å; V325-F533 HydrophobicContact CG1-CD2 3.79Å; V325-F533 HydrophobicContact CG1-CE1 3.69Å; V325-F533 HydrophobicContact CG1-CE2 3.71Å; V325-F533 HydrophobicContact CG1-CG 3.83Å; V325-F533 HydrophobicContact CG1-CZ 3.66Å; V325-F533 HydrophobicContact CG2-CE2 3.95Å; V325-F533 HydrophobicContact CG2-CZ 4.14Å; F329-F533 HydrophobicContact CE2-CB 4.41Å; T529-F533 WeakPolarHBondContact O-CB 3.15Å; T529-F533 PolarHBondContact O-N 3.29Å; F530-F533 HydrophobicContact CD2-CD1 4.1Å; F530-F533 HydrophobicContact CE2-CD1 4.12Å; F530-F533 HydrophobicContact CE2-CE1 4.5Å; F530-F533 PolarHBondContact O-N 3.35Å; G531-F533 PolarHBondContact O-N 2.98Å; F533-M535 PolarHBondContact O-N 3.33Å; F533-V536 PolarHBondContact O-N 2.87Å; F533-Y537 HydrophobicContact CE2-CD2 4.31Å; F533-Y537 HydrophobicContact CZ-CD2 4.09Å; F533-Y537 HydrophobicContact CZ-CG 4.41Å; F533-Y537 VanDerWaalsContact O-CB 3.29Å; F533-Y537 WeakPolarHBondContact O-CB 3.23Å; F533-Y537 PolarHBondContact O-N 3.49Å
534	N	94.7	Very high	91.4	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.112	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-44.4	178.6	-82.8	-93.7	0	0	0	111.5	F530 G531 V536 Y537 W538	F530-N534 WeakPolarHBondContact CE1-ND2 3.33Å; F530-N534 VanDerWaalsContact CE2-ND2 3.25Å; F530-N534 WeakPolarHBondContact CE2-ND2 3.29Å; F530-N534 WeakPolarHBondContact CZ-ND2 3.23Å; F530-N534 PolarHBondContact O-N 3.49Å; F530-N534 PolarHBondContact O-ND2 2.84Å; G531-N534 PolarHBondContact O-N 3.4Å; N534-V536 PolarHBondContact O-N 2.92Å; N534-Y537 PolarHBondContact O-N 3.31Å; N534-W538 PolarHBondContact O-N 3.33Å
535	M	93.8	Very high	90.3	Very high	132 Å²	132	58.2 Å²	58.2	65%	0.65	33%	0.329	S	S	*	.	H	α-helix	trans	-58	-48.2	177	-74.4	-64.7	-65.3	0	0	112	G531 A532 F533 V539	G531-M535 WeakPolarHBondContact O-CG 3.27Å; G531-M535 PolarHBondContact O-N 2.98Å; A532-M535 PolarHBondContact O-N 3.41Å; F533-M535 PolarHBondContact O-N 3.33Å; M535-V539 WeakPolarHBondContact O-CB 3.23Å; M535-V539 WeakPolarHBondContact O-CG2 3.43Å; M535-V539 PolarHBondContact O-N 3.35Å; M535-V539 VanDerWaalsContact O-N 3.08Å
536	V	94.3	Very high	89	Confident	95 Å²	95	57.3 Å²	57.3	58%	0.576	33%	0.328	S	S	*	.	H	α-helix	trans	-64.1	-44.6	177.5	173	0	0	0	0	111.2	A532 F533 N534 V539 V540	A532-V536 WeakPolarHBondContact O-CG2 3.43Å; A532-V536 PolarHBondContact O-N 3.31Å; F533-V536 PolarHBondContact O-N 2.87Å; N534-V536 PolarHBondContact O-N 2.92Å; V536-V539 PolarHBondContact O-N 3.35Å; V536-V540 HydrophobicContact CG1-CG2 4.21Å; V536-V540 WeakPolarHBondContact O-CB 3.23Å; V536-V540 VanDerWaalsContact O-CG2 3.26Å; V536-V540 WeakPolarHBondContact O-CG2 3.23Å; V536-V540 PolarHBondContact O-N 3.44Å
537	Y	93.8	Very high	87.3	Confident	10 Å²	10	62.1 Å²	62.1	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-55.2	179.9	-176.4	-89.3	0	0	0	111.8	M181 Y264 A318 F322 F533 N534 V539 V540 Y541	M181-Y537 HydrophobicContact CE-CE1 4.07Å; Y264-Y537 AromaticContact CE1-CE1 3.76Å; Y264-Y537 HydrophobicContact CE1-CE1 3.76Å; Y264-Y537 AromaticContact CE1-CZ 3.99Å; Y264-Y537 PolarHBondContact OH-OH 3.13Å; A318-Y537 VanDerWaalsContact C-OH 3.23Å; A318-Y537 WeakPolarHBondContact O-CE2 3.31Å; A318-Y537 PolarHBondContact O-OH 3.03Å; F322-Y537 HydrophobicContact CB-CE1 4.46Å; F322-Y537 HydrophobicContact CB-CE2 3.79Å; F322-Y537 AromaticContact CD2-CD1 3.75Å; F322-Y537 HydrophobicContact CD2-CD1 3.75Å; F322-Y537 AromaticContact CD2-CD2 3.97Å; F322-Y537 HydrophobicContact CD2-CD2 3.97Å; F322-Y537 AromaticContact CD2-CE1 3.74Å; F322-Y537 HydrophobicContact CD2-CE1 3.74Å; F322-Y537 AromaticContact CD2-CE2 3.94Å; F322-Y537 HydrophobicContact CD2-CE2 3.94Å; F322-Y537 AromaticContact CD2-CG 3.88Å; F322-Y537 HydrophobicContact CD2-CG 3.88Å; F322-Y537 AromaticContact CD2-CZ 3.84Å; F322-Y537 HydrophobicContact CE2-CD1 4.17Å; F322-Y537 HydrophobicContact CE2-CE1 4.42Å; F322-Y537 HydrophobicContact CE2-CG 4.43Å; F322-Y537 HydrophobicContact CG-CE1 4.38Å; F322-Y537 HydrophobicContact CG-CE2 4.35Å; F533-Y537 HydrophobicContact CE2-CD2 4.31Å; F533-Y537 HydrophobicContact CZ-CD2 4.09Å; F533-Y537 HydrophobicContact CZ-CG 4.41Å; F533-Y537 VanDerWaalsContact O-CB 3.29Å; F533-Y537 WeakPolarHBondContact O-CB 3.23Å; F533-Y537 PolarHBondContact O-N 3.49Å; N534-Y537 PolarHBondContact O-N 3.31Å; Y537-V539 PolarHBondContact O-N 3.17Å; Y537-V540 PolarHBondContact O-N 3.45Å; Y537-Y541 HydrophobicContact CD1-CD2 4.31Å; Y537-Y541 AromaticContact CD2-CD2 3.87Å; Y537-Y541 HydrophobicContact CD2-CD2 3.87Å; Y537-Y541 AromaticContact CD2-CE2 3.68Å; Y537-Y541 HydrophobicContact CD2-CE2 3.68Å; Y537-Y541 HydrophobicContact CE1-CD2 4.11Å; Y537-Y541 AromaticContact CE2-CD2 3.66Å; Y537-Y541 HydrophobicContact CE2-CD2 3.66Å; Y537-Y541 AromaticContact CE2-CE2 3.39Å; Y537-Y541 HydrophobicContact CE2-CE2 3.39Å; Y537-Y541 HydrophobicContact CG-CD2 4.18Å; Y537-Y541 HydrophobicContact CG-CE2 4.43Å; Y537-Y541 AromaticContact CZ-CD2 3.78Å; Y537-Y541 AromaticContact CZ-CE2 3.93Å; Y537-Y541 WeakPolarHBondContact O-CD2 3.28Å; Y537-Y541 PolarHBondContact O-N 3.35Å; Y537-Y541 VanDerWaalsContact O-N 3.12Å
538	W	92.1	Very high	85.7	Confident	48 Å²	48	63.3 Å²	63.3	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-65.5	-37.8	-178	-68	116.8	0	0	0	112.3	M181 M256 M260 Y264 N534 L542	M181-W538 HydrophobicContact SD-CE3 4.45Å; M181-W538 HydrophobicContact SD-CZ3 4.03Å; M256-W538 HydrophobicContact CE-CH2 3.8Å; M256-W538 HydrophobicContact CE-CZ3 3.63Å; M260-W538 HydrophobicContact CE-CH2 4.09Å; M260-W538 HydrophobicContact CE-CZ2 4.37Å; M260-W538 HydrophobicContact SD-CH2 3.43Å; M260-W538 WeakPolarHBondContact SD-CH2 3.5Å; M260-W538 HydrophobicContact SD-CZ2 4.13Å; M260-W538 HydrophobicContact SD-CZ3 4.02Å; Y264-W538 AromaticContact CD1-CH2 3.51Å; Y264-W538 HydrophobicContact CD1-CH2 3.51Å; Y264-W538 AromaticContact CD1-CZ2 3.53Å; Y264-W538 HydrophobicContact CD1-CZ2 3.53Å; Y264-W538 HydrophobicContact CD2-CH2 4.14Å; Y264-W538 AromaticContact CE1-CH2 3.79Å; Y264-W538 HydrophobicContact CE1-CH2 3.79Å; Y264-W538 HydrophobicContact CE1-CZ2 4.12Å; Y264-W538 HydrophobicContact CE2-CH2 4.39Å; Y264-W538 AromaticContact CG-CH2 3.72Å; Y264-W538 HydrophobicContact CG-CH2 3.72Å; Y264-W538 AromaticContact CG-CZ2 3.92Å; Y264-W538 HydrophobicContact CG-CZ2 3.92Å; N534-W538 PolarHBondContact O-N 3.33Å; W538-L542 HydrophobicContact CB-CD1 4.2Å; W538-L542 HydrophobicContact CE3-CD1 4.19Å; W538-L542 HydrophobicContact CE3-CG 4.3Å; W538-L542 WeakPolarHBondContact O-CB 3.45Å; W538-L542 WeakPolarHBondContact O-CG 3.2Å; W538-L542 PolarHBondContact O-N 2.83Å
539	V	91.1	Very high	84.1	Confident	92 Å²	92	64.2 Å²	64.2	56%	0.558	35%	0.351	S	S	*	.	H	α-helix	trans	-64.6	-44	174.9	169.5	0	0	0	0	111.7	M535 V536 Y537 S543	M535-V539 WeakPolarHBondContact O-CB 3.23Å; M535-V539 WeakPolarHBondContact O-CG2 3.43Å; M535-V539 PolarHBondContact O-N 3.35Å; M535-V539 VanDerWaalsContact O-N 3.08Å; V536-V539 PolarHBondContact O-N 3.35Å; Y537-V539 PolarHBondContact O-N 3.17Å; V539-S543 WeakPolarHBondContact O-CB 3.29Å; V539-S543 PolarHBondContact O-N 2.82Å; V539-S543 PolarHBondContact O-OG 3.27Å
540	V	89.9	Confident	82.2	Confident	64 Å²	64	63.8 Å²	63.8	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-44	-177.5	167.4	0	0	0	0	112.2	V536 Y537 S543	V536-V540 HydrophobicContact CG1-CG2 4.21Å; V536-V540 WeakPolarHBondContact O-CB 3.23Å; V536-V540 VanDerWaalsContact O-CG2 3.26Å; V536-V540 WeakPolarHBondContact O-CG2 3.23Å; V536-V540 PolarHBondContact O-N 3.44Å; Y537-V540 PolarHBondContact O-N 3.45Å; V540-S543 PolarHBondContact O-OG 2.81Å; V540-S543 VanDerWaalsContact O-OG 3.13Å
541	Y	86.6	Confident	80.5	Confident	37 Å²	37	70.2 Å²	70.2	15%	0.145	38%	0.38	C	S	.	.	H	α-helix	trans	-84.2	-39	-176.4	-68.9	-76.2	0	0	0	113.5	D178 M181 A318 Y537 S543 K544 D545	D178-Y541 HydrophobicContact CB-CD1 4.49Å; D178-Y541 WeakPolarHBondContact OD1-CE1 3.29Å; M181-Y541 HydrophobicContact CE-CD1 4.46Å; M181-Y541 HydrophobicContact CE-CD2 4.44Å; M181-Y541 HydrophobicContact CE-CG 3.93Å; M181-Y541 VanDerWaalsContact SD-CB 3.55Å; A318-Y541 HydrophobicContact CB-CD1 3.8Å; A318-Y541 HydrophobicContact CB-CD2 4.48Å; A318-Y541 HydrophobicContact CB-CE1 3.3Å; A318-Y541 HydrophobicContact CB-CE2 4.07Å; A318-Y541 HydrophobicContact CB-CG 4.37Å; A318-Y541 VanDerWaalsContact CB-CZ 3.44Å; Y537-Y541 HydrophobicContact CD1-CD2 4.31Å; Y537-Y541 AromaticContact CD2-CD2 3.87Å; Y537-Y541 HydrophobicContact CD2-CD2 3.87Å; Y537-Y541 AromaticContact CD2-CE2 3.68Å; Y537-Y541 HydrophobicContact CD2-CE2 3.68Å; Y537-Y541 HydrophobicContact CE1-CD2 4.11Å; Y537-Y541 AromaticContact CE2-CD2 3.66Å; Y537-Y541 HydrophobicContact CE2-CD2 3.66Å; Y537-Y541 AromaticContact CE2-CE2 3.39Å; Y537-Y541 HydrophobicContact CE2-CE2 3.39Å; Y537-Y541 HydrophobicContact CG-CD2 4.18Å; Y537-Y541 HydrophobicContact CG-CE2 4.43Å; Y537-Y541 AromaticContact CZ-CD2 3.78Å; Y537-Y541 AromaticContact CZ-CE2 3.93Å; Y537-Y541 WeakPolarHBondContact O-CD2 3.28Å; Y537-Y541 PolarHBondContact O-N 3.35Å; Y537-Y541 VanDerWaalsContact O-N 3.12Å; Y541-S543 VanDerWaalsContact C-N 3.29Å; Y541-S543 PolarHBondContact O-N 2.83Å; Y541-K544 HydrophobicContact CD1-CD 4.38Å; Y541-K544 WeakPolarHBondContact O-CB 3.32Å; Y541-K544 PolarHBondContact O-N 2.82Å; Y541-D545 PolarHBondContact O-N 2.92Å
542	L	83.7	Confident	78.6	Confident	84 Å²	84	70.7 Å²	70.7	44%	0.44	38%	0.378	S	S	.	.	H	α-helix	trans	-70.2	-25.2	176.8	-61	172.5	0	0	0	112.8	M181 W538 T546	M181-L542 HydrophobicContact SD-CD2 4.25Å; W538-L542 HydrophobicContact CB-CD1 4.2Å; W538-L542 HydrophobicContact CE3-CD1 4.19Å; W538-L542 HydrophobicContact CE3-CG 4.3Å; W538-L542 WeakPolarHBondContact O-CB 3.45Å; W538-L542 WeakPolarHBondContact O-CG 3.2Å; W538-L542 PolarHBondContact O-N 2.83Å; L542-T546 PolarHBondContact O-N 2.9Å; L542-T546 PolarHBondContact O-OG1 2.96Å
543	S	81.6	Confident	76.6	Confident	55 Å²	55	74.2 Å²	74.2	39%	0.385	39%	0.389	S	S	.	.	H	α-helix	trans	-71.7	-35.6	172.4	58.7	0	0	0	0	112.3	V539 V540 Y541 T546 M547	V539-S543 WeakPolarHBondContact O-CB 3.29Å; V539-S543 PolarHBondContact O-N 2.82Å; V539-S543 PolarHBondContact O-OG 3.27Å; V540-S543 PolarHBondContact O-OG 2.81Å; V540-S543 VanDerWaalsContact O-OG 3.13Å; Y541-S543 VanDerWaalsContact C-N 3.29Å; Y541-S543 PolarHBondContact O-N 2.83Å; S543-T546 WeakPolarHBondContact CA-OG1 3.15Å; S543-T546 PolarHBondContact O-N 3.43Å; S543-T546 PolarHBondContact O-OG1 3.32Å; S543-M547 WeakPolarHBondContact O-CG 3.18Å; S543-M547 PolarHBondContact O-N 2.85Å
544	K	77.2	Confident	73.9	Confident	84 Å²	84	82.6 Å²	82.6	37%	0.365	43%	0.431	S	S	.	.	H	α-helix	trans	-59.5	-49	170.2	-73.4	179.2	172.5	-166	0	111.9	D178 Y541 T546 M547 E548	D178-K544 WeakPolarHBondContact OD1-CD 3.46Å; D178-K544 IonicContact OD1-NZ 2.75Å; D178-K544 PolarHBondContact OD1-NZ 3.48Å; D178-K544 IonicContact OD2-NZ 2.73Å; Y541-K544 HydrophobicContact CD1-CD 4.38Å; Y541-K544 WeakPolarHBondContact O-CB 3.32Å; Y541-K544 PolarHBondContact O-N 2.82Å; K544-T546 PolarHBondContact O-N 2.86Å; K544-T546 VanDerWaalsContact O-N 3.16Å; K544-M547 PolarHBondContact O-N 2.82Å; K544-E548 PolarHBondContact O-N 3.43Å
545	D	69.4	Low	72.8	Confident	31 Å²	31	85.7 Å²	85.7	17%	0.166	45%	0.447	C	S	.	.	H	α-helix	trans	-50.7	-41.4	176	-82.9	-40.5	0	0	0	112	Y541 K549	Y541-D545 PolarHBondContact O-N 2.92Å; D545-K549 VanDerWaalsContact O-CB 3.3Å; D545-K549 WeakPolarHBondContact O-CB 3.43Å; D545-K549 PolarHBondContact O-N 2.82Å; D545-K549 VanDerWaalsContact O-N 3.12Å
546	T	64.9	Low	71.7	Confident	88 Å²	88	83.2 Å²	83.2	54%	0.54	44%	0.436	S	S	.	.	H	α-helix	trans	-73.1	-33	177.4	49.4	0	0	0	0	114.1	L542 S543 K544 S550	L542-T546 PolarHBondContact O-N 2.9Å; L542-T546 PolarHBondContact O-OG1 2.96Å; S543-T546 WeakPolarHBondContact CA-OG1 3.15Å; S543-T546 PolarHBondContact O-N 3.43Å; S543-T546 PolarHBondContact O-OG1 3.32Å; K544-T546 PolarHBondContact O-N 2.86Å; K544-T546 VanDerWaalsContact O-N 3.16Å; T546-S550 PolarHBondContact O-N 3.49Å; T546-S550 VanDerWaalsContact O-N 3.15Å
547	M	55.7	Low	70.5	Confident	125 Å²	125	82.6 Å²	82.6	62%	0.616	43%	0.429	S	S	*	.	H	α-helix	trans	-69.4	-49.8	175.4	-68.2	-58.5	-140.7	0	0	111.1	S543 K544 K549 S550 E551	S543-M547 WeakPolarHBondContact O-CG 3.18Å; S543-M547 PolarHBondContact O-N 2.85Å; K544-M547 PolarHBondContact O-N 2.82Å; M547-K549 PolarHBondContact O-N 3.39Å; M547-S550 WeakPolarHBondContact O-CA 3.41Å; M547-S550 WeakPolarHBondContact O-CB 3.17Å; M547-S550 PolarHBondContact O-N 2.9Å; M547-S550 PolarHBondContact O-OG 3.02Å; M547-E551 PolarHBondContact O-N 3.36Å
548	E	61.3	Low	69.1	Low	68 Å²	68	86.8 Å²	86.8	32%	0.318	45%	0.452	S	S	.	.	H	α-helix	trans	-59.4	-33.3	175.6	-67.6	-170.9	179.1	0	0	111.7	G183 K544 S550 S552	G183-E548 PolarHBondContact N-OE2 2.91Å; K544-E548 PolarHBondContact O-N 3.43Å; E548-S550 VanDerWaalsContact C-N 3.33Å; E548-S552 WeakPolarHBondContact O-CB 3.39Å; E548-S552 PolarHBondContact O-N 3.23Å; E548-S552 PolarHBondContact O-OG 2.98Å
549	K	59.3	Low	67.7	Low	115 Å²	115	89.3 Å²	89.3	50%	0.5	47%	0.468	S	S	.	.	H	α-helix	trans	-66.7	-30.4	172.3	-172.1	178.7	174.8	-172.8	0	113.1	D545 M547 L553	D545-K549 VanDerWaalsContact O-CB 3.3Å; D545-K549 WeakPolarHBondContact O-CB 3.43Å; D545-K549 PolarHBondContact O-N 2.82Å; D545-K549 VanDerWaalsContact O-N 3.12Å; M547-K549 PolarHBondContact O-N 3.39Å; K549-L553 HydrophobicContact CG-CD1 4.2Å; K549-L553 WeakPolarHBondContact O-CD1 3.45Å; K549-L553 VanDerWaalsContact O-CG 3.26Å; K549-L553 WeakPolarHBondContact O-CG 3.48Å
550	S	55.4	Low	66.1	Low	48 Å²	48	89.1 Å²	89.1	34%	0.336	46%	0.462	S	S	.	.	H	α-helix	trans	-75.9	-43.1	174.2	70.8	0	0	0	0	112	T546 M547 E548 S552 L553 M554	T546-S550 PolarHBondContact O-N 3.49Å; T546-S550 VanDerWaalsContact O-N 3.15Å; M547-S550 WeakPolarHBondContact O-CA 3.41Å; M547-S550 WeakPolarHBondContact O-CB 3.17Å; M547-S550 PolarHBondContact O-N 2.9Å; M547-S550 PolarHBondContact O-OG 3.02Å; E548-S550 VanDerWaalsContact C-N 3.33Å; S550-S552 VanDerWaalsContact C-N 3.31Å; S550-S552 PolarHBondContact O-N 2.96Å; S550-L553 PolarHBondContact O-N 2.96Å; S550-L553 VanDerWaalsContact O-N 3.13Å; S550-M554 PolarHBondContact O-N 3.06Å
551	E	59.6	Low	64.4	Low	145 Å²	145	90.9 Å²	90.9	68%	0.678	47%	0.468	S	S	*	.	H	α-helix	trans	-67	-29.4	177.9	-65.3	-176.9	153.4	0	0	112.9	M547 L553	M547-E551 PolarHBondContact O-N 3.36Å; E551-L553 VanDerWaalsContact C-N 3.28Å; E551-L553 PolarHBondContact O-N 2.75Å
552	S	55.3	Low	62.7	Low	44 Å²	44	95 Å²	95	31%	0.308	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	7.3	174.1	53.6	0	0	0	0	114.7	E548 S550	E548-S552 WeakPolarHBondContact O-CB 3.39Å; E548-S552 PolarHBondContact O-N 3.23Å; E548-S552 PolarHBondContact O-OG 2.98Å; S550-S552 VanDerWaalsContact C-N 3.31Å; S550-S552 PolarHBondContact O-N 2.96Å
553	L	52.5	Low	61	Low	128 Å²	128	95.9 Å²	95.9	67%	0.67	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	9.1	175.5	-70	175.8	0	0	0	113.2	K549 S550 E551	K549-L553 HydrophobicContact CG-CD1 4.2Å; K549-L553 WeakPolarHBondContact O-CD1 3.45Å; K549-L553 VanDerWaalsContact O-CG 3.26Å; K549-L553 WeakPolarHBondContact O-CG 3.48Å; S550-L553 PolarHBondContact O-N 2.96Å; S550-L553 VanDerWaalsContact O-N 3.13Å; E551-L553 VanDerWaalsContact C-N 3.28Å; E551-L553 PolarHBondContact O-N 2.75Å
554	M	39.2	Very low	59.1	Low	220 Å²	220	99.6 Å²	99.6	100%	1.084	51%	0.507	S	S	*	.			trans	-111.6	0	172.4	-66	-172.6	-175.3	0	0	111.3	S550	S550-M554 PolarHBondContact O-N 3.06Å

Retrieved 554 of 554 residues in 1148.6 ms (Link to these results)

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