A0A087YDS0_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087YDS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 602 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.8	Low	48.6	Very low	241 Å²	241	160.6 Å²	160.6	100%	1.187	74%	0.74	S	S	*	*				0	81.6	0	-173.5	-169.1	-61.8	0	0	109.4
2	A	47.7	Very low	49.4	Very low	81 Å²	81	156.2 Å²	156.2	67%	0.669	73%	0.725	S	S	*	*			trans	-146.6	-32	-170.7	0	0	0	0	0	116
3	F	42.5	Very low	50.4	Low	193 Å²	193	153 Å²	153	85%	0.846	72%	0.715	S	S	*	*	S	Bend	trans	-75.9	-25.1	-172.3	-117.7	-100.3	0	0	0	115
4	V	48.5	Very low	51	Low	125 Å²	125	149.5 Å²	149.5	76%	0.758	70%	0.703	S	S	*	*	H	α-helix	trans	-70.1	-43.1	-175.2	-177.9	0	0	0	0	112	R6 R7	V4-R6 PolarHBondContact O-N 2.64Å; V4-R7 PolarHBondContact O-N 2.68Å
5	F	45.3	Very low	51.5	Low	155 Å²	155	146.4 Å²	146.4	68%	0.68	69%	0.693	S	S	*	*	H	α-helix	trans	-63.6	-24.1	-177.4	-96.3	-84.7	0	0	0	114.3
6	R	47.4	Very low	52.6	Low	210 Å²	210	143.3 Å²	143.3	79%	0.792	69%	0.686	S	S	*	*	H	α-helix	trans	-77.3	-28.6	-178.7	-153.3	173.3	-172.2	178.2	2.1	112.9	V4	V4-R6 PolarHBondContact O-N 2.64Å
7	R	46.9	Very low	53.2	Low	207 Å²	207	141.7 Å²	141.7	78%	0.781	68%	0.682	S	S	*	*	H	α-helix	trans	-73.8	-39.4	177.5	-111.4	179.4	174.2	175.2	-2.4	112.6	V4 V10 L11	V4-R7 PolarHBondContact O-N 2.68Å; R7-V10 PolarHBondContact O-N 3.09Å; R7-L11 PolarHBondContact O-N 2.94Å
8	W	48.1	Very low	53.5	Low	189 Å²	189	137.1 Å²	137.1	72%	0.716	67%	0.671	S	S	*	*	H	α-helix	trans	-69.3	-38.2	-174.6	-131.1	33.2	0	0	0	113	V10 L11 L12	W8-V10 VanDerWaalsContact C-N 3.32Å; W8-V10 PolarHBondContact O-N 2.61Å; W8-L11 PolarHBondContact O-N 2.91Å; W8-L12 PolarHBondContact O-N 3.33Å
9	R	47.9	Very low	53.9	Low	189 Å²	189	134.9 Å²	134.9	71%	0.713	67%	0.666	S	S	*	*	H	α-helix	trans	-62.7	-35	175.4	-73.7	-172.8	172.9	-172.7	-1.8	113.3	L13	R9-L13 PolarHBondContact O-N 3.38Å; R9-L13 VanDerWaalsContact O-N 3.12Å
10	V	58.3	Low	54.3	Low	81 Å²	81	130.7 Å²	130.7	49%	0.491	65%	0.653	S	S	.	*	H	α-helix	trans	-71.4	-41.5	177.8	177.8	0	0	0	0	111.3	R7 W8 L12 L13 L14	R7-V10 PolarHBondContact O-N 3.09Å; W8-V10 VanDerWaalsContact C-N 3.32Å; W8-V10 PolarHBondContact O-N 2.61Å; V10-L12 PolarHBondContact O-N 2.87Å; V10-L13 PolarHBondContact O-N 3.17Å; V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 3.44Å
11	L	49.8	Very low	54.7	Low	96 Å²	96	126.2 Å²	126.2	50%	0.503	64%	0.641	S	S	.	*	H	α-helix	trans	-65	-36	176.1	-80.5	161.8	0	0	0	112.7	R7 W8 N15	R7-L11 PolarHBondContact O-N 2.94Å; W8-L11 PolarHBondContact O-N 2.91Å; L11-N15 PolarHBondContact O-N 3.06Å; L11-N15 PolarHBondContact O-ND2 3.14Å
12	L	58.9	Low	54.6	Low	107 Å²	107	122.6 Å²	122.6	56%	0.56	62%	0.619	S	S	*	*	H	α-helix	trans	-65.6	-46.3	172.3	-90.7	159.4	0	0	0	112.1	W8 V10 L14 N15 V16	W8-L12 PolarHBondContact O-N 3.33Å; V10-L12 PolarHBondContact O-N 2.87Å; L12-L14 PolarHBondContact O-N 3.23Å; L12-N15 PolarHBondContact O-N 2.82Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.45Å
13	L	62.3	Low	54.6	Low	115 Å²	115	124.6 Å²	124.6	60%	0.602	62%	0.616	S	S	*	*	H	α-helix	trans	-59.1	-43.7	176.9	-92.6	159.2	0	0	0	112.8	R9 V10 V16 L17	R9-L13 PolarHBondContact O-N 3.38Å; R9-L13 VanDerWaalsContact O-N 3.12Å; V10-L13 PolarHBondContact O-N 3.17Å; L13-V16 PolarHBondContact O-N 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.29Å
14	L	58.8	Low	54.9	Low	104 Å²	104	119.9 Å²	119.9	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-64.6	-40.3	178.3	-73.8	168.5	0	0	0	112.7	V10 L12 L17 A18	V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 3.44Å; L12-L14 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-A18 PolarHBondContact O-N 2.93Å
15	N	58.7	Low	54.8	Low	103 Å²	103	121 Å²	121	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-68.1	-39.9	176.3	-80.4	-72.6	0	0	0	112.4	L11 L12 L17 A18 V19	L11-N15 PolarHBondContact O-N 3.06Å; L11-N15 PolarHBondContact O-ND2 3.14Å; L12-N15 PolarHBondContact O-N 2.82Å; N15-L17 VanDerWaalsContact C-N 3.35Å; N15-L17 PolarHBondContact O-N 2.73Å; N15-A18 PolarHBondContact O-N 3.48Å; N15-V19 WeakPolarHBondContact O-CG2 3.41Å; N15-V19 PolarHBondContact O-N 2.88Å
16	V	68	Low	54.6	Low	96 Å²	96	123.3 Å²	123.3	58%	0.582	60%	0.602	S	S	*	*	H	α-helix	trans	-62.8	-41.4	175.8	170.7	0	0	0	0	111.3	L12 L13 V19 A20	L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.45Å; L13-V16 PolarHBondContact O-N 3.32Å; V16-V19 PolarHBondContact O-N 3.41Å; V16-A20 WeakPolarHBondContact O-CB 3.1Å; V16-A20 PolarHBondContact O-N 3.31Å
17	L	62.9	Low	54.3	Low	117 Å²	117	116.6 Å²	116.6	61%	0.613	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-40.7	174.9	-72.5	168.6	0	0	0	112.5	L13 L14 N15 A20 G21	L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.29Å; L14-L17 PolarHBondContact O-N 2.85Å; N15-L17 VanDerWaalsContact C-N 3.35Å; N15-L17 PolarHBondContact O-N 2.73Å; L17-A20 PolarHBondContact O-N 2.03Å; L17-G21 PolarHBondContact O-N 3.32Å
18	A	58.5	Low	54.2	Low	59 Å²	59	115.3 Å²	115.3	49%	0.488	59%	0.591	S	S	.	*	H	α-helix	trans	-62.9	-44.6	176.6	0	0	0	0	0	112.4	L14 N15 G21 F22	L14-A18 PolarHBondContact O-N 2.93Å; N15-A18 PolarHBondContact O-N 3.48Å; A18-G21 PolarHBondContact O-N 3.19Å; A18-F22 PolarHBondContact O-N 2.84Å
19	V	61.9	Low	53.8	Low	95 Å²	95	110.7 Å²	110.7	58%	0.576	59%	0.587	S	S	*	*	H	α-helix	trans	-66.4	-40.7	177.4	174	0	0	0	0	111.5	N15 V16 G21 F22 M23	N15-V19 WeakPolarHBondContact O-CG2 3.41Å; N15-V19 PolarHBondContact O-N 2.88Å; V16-V19 PolarHBondContact O-N 3.41Å; V19-G21 VanDerWaalsContact C-N 3.34Å; V19-G21 PolarHBondContact O-N 3.27Å; V19-F22 PolarHBondContact O-N 2.83Å; V19-M23 HydrophobicContact CG1-CG 4.48Å; V19-M23 WeakPolarHBondContact O-CG 3.48Å; V19-M23 PolarHBondContact O-N 3.35Å
20	A	61.9	Low	53.3	Low	50 Å²	50	108.5 Å²	108.5	41%	0.413	59%	0.59	S	S	.	*	H	α-helix	trans	-63.5	-38.2	174.9	0	0	0	0	0	112.6	V16 L17 T24	V16-A20 WeakPolarHBondContact O-CB 3.1Å; V16-A20 PolarHBondContact O-N 3.31Å; L17-A20 PolarHBondContact O-N 2.03Å; A20-T24 WeakPolarHBondContact O-CB 3.17Å; A20-T24 WeakPolarHBondContact O-CG2 3.23Å; A20-T24 PolarHBondContact O-N 3.34Å; A20-T24 PolarHBondContact O-OG1 3.37Å
21	G	61.8	Low	52.2	Low	38 Å²	38	109.8 Å²	109.8	39%	0.392	60%	0.598	S	S	.	*	H	α-helix	trans	-62.4	-42.9	172.7	0	0	0	0	0	112.7	L17 A18 V19 T24 F25	L17-G21 PolarHBondContact O-N 3.32Å; A18-G21 PolarHBondContact O-N 3.19Å; V19-G21 VanDerWaalsContact C-N 3.34Å; V19-G21 PolarHBondContact O-N 3.27Å; G21-T24 PolarHBondContact O-OG1 2.9Å; G21-T24 VanDerWaalsContact O-OG1 3.12Å; G21-F25 WeakPolarHBondContact O-CB 3.22Å; G21-F25 PolarHBondContact O-N 3.43Å
22	F	49.9	Very low	51.3	Low	164 Å²	164	117.1 Å²	117.1	72%	0.719	62%	0.619	S	S	*	*	H	α-helix	trans	-65.3	-45.1	177.9	-125.9	-90.1	0	0	0	112.5	A18 V19 T24 F25 W26	A18-F22 PolarHBondContact O-N 2.84Å; V19-F22 PolarHBondContact O-N 2.83Å; F22-T24 PolarHBondContact O-N 3.25Å; F22-F25 PolarHBondContact O-N 3Å; F22-W26 PolarHBondContact O-N 2.87Å
23	M	48.1	Very low	49.9	Very low	124 Å²	124	117.8 Å²	117.8	61%	0.611	63%	0.632	S	S	*	*	H	α-helix	trans	-65.1	-38.8	178.9	-70	-66	-75	0	0	112.5	V19 W26 A27	V19-M23 HydrophobicContact CG1-CG 4.48Å; V19-M23 WeakPolarHBondContact O-CG 3.48Å; V19-M23 PolarHBondContact O-N 3.35Å; M23-W26 PolarHBondContact O-N 3.4Å; M23-A27 WeakPolarHBondContact O-CB 3.18Å; M23-A27 PolarHBondContact O-N 3.23Å; M23-A27 VanDerWaalsContact O-N 3.09Å
24	T	49.3	Very low	48.3	Very low	94 Å²	94	118.4 Å²	118.4	58%	0.577	64%	0.64	S	S	*	*	H	α-helix	trans	-73.3	-29.7	177.5	50.3	0	0	0	0	113.2	A20 G21 F22 K28	A20-T24 WeakPolarHBondContact O-CB 3.17Å; A20-T24 WeakPolarHBondContact O-CG2 3.23Å; A20-T24 PolarHBondContact O-N 3.34Å; A20-T24 PolarHBondContact O-OG1 3.37Å; G21-T24 PolarHBondContact O-OG1 2.9Å; G21-T24 VanDerWaalsContact O-OG1 3.12Å; F22-T24 PolarHBondContact O-N 3.25Å; T24-K28 PolarHBondContact O-N 3.09Å
25	F	47	Very low	46.9	Very low	147 Å²	147	122.4 Å²	122.4	65%	0.645	66%	0.656	S	S	*	*	H	α-helix	trans	-67.4	-47.2	170	-171	-103.9	0	0	0	111.4	G21 F22 A27 K28 C29	G21-F25 WeakPolarHBondContact O-CB 3.22Å; G21-F25 PolarHBondContact O-N 3.43Å; F22-F25 PolarHBondContact O-N 3Å; F25-A27 PolarHBondContact O-N 3.44Å; F25-K28 PolarHBondContact O-N 3.17Å; F25-K28 VanDerWaalsContact O-N 3.15Å; F25-C29 PolarHBondContact O-N 3.37Å
26	W	40.6	Very low	45.4	Very low	205 Å²	205	122.1 Å²	122.1	78%	0.777	67%	0.668	S	S	*	*	H	α-helix	trans	-63.9	-38.5	-178	-151	50.4	0	0	0	112.6	F22 M23 K28	F22-W26 PolarHBondContact O-N 2.87Å; M23-W26 PolarHBondContact O-N 3.4Å; W26-K28 VanDerWaalsContact C-N 3.31Å; W26-K28 PolarHBondContact O-N 3.41Å
27	A	40.7	Very low	43.6	Very low	69 Å²	69	122.5 Å²	122.5	57%	0.57	68%	0.682	S	S	*	*	H	α-helix	trans	-65.5	-28.9	175.4	0	0	0	0	0	113.9	M23 F25	M23-A27 WeakPolarHBondContact O-CB 3.18Å; M23-A27 PolarHBondContact O-N 3.23Å; M23-A27 VanDerWaalsContact O-N 3.09Å; F25-A27 PolarHBondContact O-N 3.44Å
28	K	45.1	Very low	42	Very low	179 Å²	179	120.1 Å²	120.1	78%	0.778	69%	0.685	S	S	*	*	H	α-helix	trans	-84	-21.8	-174.9	-125.8	175.5	-176.1	177.9	0	114.3	T24 F25 W26 N30	T24-K28 PolarHBondContact O-N 3.09Å; F25-K28 PolarHBondContact O-N 3.17Å; F25-K28 VanDerWaalsContact O-N 3.15Å; W26-K28 VanDerWaalsContact C-N 3.31Å; W26-K28 PolarHBondContact O-N 3.41Å; K28-N30 VanDerWaalsContact C-N 3.35Å
29	C	39.4	Very low	41.3	Very low	93 Å²	93	123 Å²	123	63%	0.628	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-6.8	179.9	-68.5	0	0	0	0	114.2	F25	F25-C29 PolarHBondContact O-N 3.37Å
30	N	37.9	Very low	39.7	Very low	143 Å²	143	126.2 Å²	126.2	77%	0.765	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	21.9	-170.2	-153.7	25.8	0	0	0	114.7	K28	K28-N30 VanDerWaalsContact C-N 3.35Å
31	T	33.8	Very low	38.3	Very low	108 Å²	108	127.1 Å²	127.1	66%	0.663	72%	0.715	S	S	*	*			trans	-142.1	74.9	-176.9	43.6	0	0	0	0	114.5
32	R	31.6	Very low	37.4	Very low	250 Å²	250	131 Å²	131	94%	0.943	73%	0.734	S	S	*	*			trans	179.6	93.6	149.7	-103.8	163.5	-178.1	-157.8	-0.7	113.6
33	S	30.5	Very low	36.4	Very low	121 Å²	121	128 Å²	128	85%	0.846	74%	0.739	S	S	*	*			trans	-168.8	58.8	165.1	45.9	0	0	0	0	114.1
34	V	28.6	Very low	35.6	Very low	127 Å²	127	130 Å²	130	77%	0.77	75%	0.752	S	S	*	*			trans	-146.7	139.5	171.2	179.1	0	0	0	0	105.6
35	Q	29.1	Very low	34.7	Very low	188 Å²	188	128.4 Å²	128.4	88%	0.879	76%	0.755	S	S	*	*			cis	-121.3	-177.9	11.8	-113.8	127.1	5.6	0	0	110.2
36	A	27.1	Very low	34	Very low	97 Å²	97	133 Å²	133	80%	0.802	77%	0.768	S	S	*	*			cis	-150.9	172.5	30.7	0	0	0	0	0	114.5
37	A	29.5	Very low	33.4	Very low	105 Å²	105	134.9 Å²	134.9	87%	0.868	78%	0.775	S	S	*	*			trans	-94.7	176.9	172.6	0	0	0	0	0	111
38	G	28.8	Very low	33.1	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	79%	0.786	S	S	*	*			cis	167.8	-164.1	5.3	0	0	0	0	0	108.5
39	P	45.4	Very low	32.5	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	79%	0.794	S	S	*	*			cis	-116.3	-132.2	-7.8	25.5	0.4	0	0	0	109.8
40	E	28.2	Very low	32	Very low	163 Å²	163	141 Å²	141	76%	0.762	80%	0.802	S	S	*	*			cis	-160.9	167.1	-1.1	-157	36.1	-78.7	0	0	112.8
41	A	31.6	Very low	31.9	Very low	70 Å²	70	142.4 Å²	142.4	58%	0.579	81%	0.809	S	S	*	*			trans	5.3	162.2	156.2	0	0	0	0	0	124.9
42	P	42.8	Very low	31.7	Very low	120 Å²	120	140.7 Å²	140.7	78%	0.779	81%	0.813	S	S	*	*			cis	-144.6	175.7	-39.7	40.9	-24.2	0	0	0	116.4
43	A	29.9	Very low	31.7	Very low	101 Å²	101	135.3 Å²	135.3	84%	0.835	81%	0.809	S	S	*	*			trans	70	152.2	161.2	0	0	0	0	0	117.6
44	D	30.3	Very low	31.9	Very low	165 Å²	165	134.6 Å²	134.6	88%	0.882	81%	0.81	S	S	*	*			cis	-146.2	175.7	-6.1	-176.9	24.6	0	0	0	108.7
45	G	30.4	Very low	32.2	Very low	61 Å²	61	137 Å²	137	63%	0.629	81%	0.812	S	S	*	*			trans	120.9	85.8	152.5	0	0	0	0	0	118.9
46	R	31.8	Very low	32.7	Very low	244 Å²	244	131.3 Å²	131.3	92%	0.921	81%	0.805	S	S	*	*			trans	9.6	122.3	150	-61.5	174.1	179.6	170.8	-0.2	119.7
47	R	28.5	Very low	33.3	Very low	243 Å²	243	132.4 Å²	132.4	92%	0.917	80%	0.804	S	S	*	*			trans	-74.2	155.6	155.3	-74.8	-179	172.9	171	-2.4	111.9
48	P	35.1	Very low	34.4	Very low	125 Å²	125	132.9 Å²	132.9	81%	0.812	80%	0.801	S	S	*	*				-119.1	173.5	112.8	35	-34.3	0	0	0	113.1
49	R	31.3	Very low	35.7	Very low	248 Å²	248	133.2 Å²	133.2	94%	0.936	79%	0.79	S	S	*	*			trans	-77.7	133.8	-179.5	-76.5	174	165.8	158.3	-7.1	112
50	A	30.7	Very low	37	Very low	96 Å²	96	130.2 Å²	130.2	79%	0.793	77%	0.771	S	S	*	*			trans	-138	141.9	151.9	0	0	0	0	0	108.5
51	N	34.5	Very low	38.7	Very low	173 Å²	173	129.1 Å²	129.1	93%	0.925	77%	0.766	S	S	*	*			trans	-82	129.2	178.5	-74.5	-16.3	0	0	0	110.1
52	G	30	Very low	40.1	Very low	73 Å²	73	133.1 Å²	133.1	75%	0.753	77%	0.772	S	S	*	*			trans	-144.9	90.6	176.5	0	0	0	0	0	111.3	A54	G52-A54 PolarHBondContact O-N 3.32Å; G52-A54 VanDerWaalsContact O-N 3.15Å
53	T	31.8	Very low	41.5	Very low	137 Å²	137	130.3 Å²	130.3	84%	0.84	75%	0.753	S	S	*	*			trans	-77.3	95.5	177.2	44.4	0	0	0	0	110.8	Q55	T53-Q55 VanDerWaalsContact C-N 3.33Å; T53-Q55 PolarHBondContact O-N 3.44Å
54	A	34.6	Very low	43.4	Very low	106 Å²	106	129.7 Å²	129.7	88%	0.876	74%	0.735	S	S	*	*			trans	-75.6	81	172.2	0	0	0	0	0	111.3	G52	G52-A54 PolarHBondContact O-N 3.32Å; G52-A54 VanDerWaalsContact O-N 3.15Å
55	Q	35.1	Very low	44.9	Very low	176 Å²	176	126.3 Å²	126.3	82%	0.822	72%	0.717	S	S	*	*			trans	-100.5	114.4	160.8	-76.5	-175.5	-23.4	0	0	109	T53	T53-Q55 VanDerWaalsContact C-N 3.33Å; T53-Q55 PolarHBondContact O-N 3.44Å
56	G	39.6	Very low	46.7	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	72%	0.721	S	S	*	*			trans	-64	131	166.4	0	0	0	0	0	109.3	S58	G56-S58 PolarHBondContact O-N 3.26Å; G56-S58 VanDerWaalsContact O-N 3.12Å
57	P	38.4	Very low	48.6	Very low	120 Å²	120	127.1 Å²	127.1	78%	0.779	71%	0.705	S	S	*	*			trans	-70.7	112.5	-171.9	27	-34.2	0	0	0	111	V59	P57-V59 PolarHBondContact O-N 2.84Å
58	S	53.8	Low	50.3	Low	115 Å²	115	120.5 Å²	120.5	80%	0.804	69%	0.687	S	S	*	*			trans	-61	108.2	162.4	55.4	0	0	0	0	108.4	G56 S60	G56-S58 PolarHBondContact O-N 3.26Å; G56-S58 VanDerWaalsContact O-N 3.12Å; S58-S60 PolarHBondContact O-N 3.15Å; S58-S60 VanDerWaalsContact O-N 3.14Å
59	V	55.4	Low	51	Low	73 Å²	73	117.8 Å²	117.8	44%	0.442	67%	0.672	S	S	.	*			trans	-59	118.9	-178	-177.8	0	0	0	0	109	P57 V63 L64	P57-V59 PolarHBondContact O-N 2.84Å; V59-V63 HydrophobicContact CG1-CB 3.87Å; V59-V63 HydrophobicContact CG1-CG1 3.68Å; V59-L64 HydrophobicContact CG1-CD1 4.49Å; V59-L64 HydrophobicContact CG1-CG 4.02Å
60	S	73.9	Confident	52.3	Low	55 Å²	55	109.3 Å²	109.3	39%	0.385	65%	0.65	S	S	.	*			trans	-65	151.7	-178.9	73.8	0	0	0	0	110.9	S58 E62 V63 L64	S58-S60 PolarHBondContact O-N 3.15Å; S58-S60 VanDerWaalsContact O-N 3.14Å; S60-E62 PolarHBondContact O-N 2.65Å; S60-V63 PolarHBondContact O-N 3.39Å; S60-V63 WeakPolarHBondContact OG-CG2 3.39Å; S60-V63 PolarHBondContact OG-N 3.4Å; S60-L64 PolarHBondContact O-N 3.25Å
61	H	62.5	Low	53.6	Low	141 Å²	141	110 Å²	110	65%	0.653	64%	0.64	S	S	*	*	H	α-helix	trans	-55.4	-35.5	179.9	-169.5	-99.8	0	0	0	112.1	L64 L65	H61-L64 WeakPolarHBondContact O-CB 3.32Å; H61-L64 PolarHBondContact O-N 3.45Å; H61-L65 WeakPolarHBondContact O-CG 3.43Å; H61-L65 PolarHBondContact O-N 3.46Å
62	E	60.7	Low	54.6	Low	153 Å²	153	108.3 Å²	108.3	72%	0.715	63%	0.627	S	S	*	*	H	α-helix	trans	-67.8	-38.4	174.9	-60.4	-179.2	138.9	0	0	113.2	S60 L64 L65 K66	S60-E62 PolarHBondContact O-N 2.65Å; E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L65 PolarHBondContact O-N 2.86Å; E62-K66 WeakPolarHBondContact O-CB 3.25Å; E62-K66 PolarHBondContact O-N 2.84Å
63	V	73.6	Confident	55.5	Low	62 Å²	62	108.1 Å²	108.1	38%	0.376	61%	0.608	S	S	.	*	H	α-helix	trans	-69.8	-33.5	175	174.2	0	0	0	0	110.7	V59 S60 R67	V59-V63 HydrophobicContact CG1-CB 3.87Å; V59-V63 HydrophobicContact CG1-CG1 3.68Å; S60-V63 PolarHBondContact O-N 3.39Å; S60-V63 WeakPolarHBondContact OG-CG2 3.39Å; S60-V63 PolarHBondContact OG-N 3.4Å; V63-R67 VanDerWaalsContact O-CB 3.3Å; V63-R67 WeakPolarHBondContact O-CB 3.1Å; V63-R67 WeakPolarHBondContact O-CG 2.99Å; V63-R67 PolarHBondContact O-N 3.34Å
64	L	69.3	Low	56.8	Low	87 Å²	87	105.1 Å²	105.1	46%	0.455	59%	0.59	S	S	.	*	H	α-helix	trans	-63.1	-52.9	169.6	-97.3	161	0	0	0	111.6	V59 S60 H61 E62 K66 R67 L68	V59-L64 HydrophobicContact CG1-CD1 4.49Å; V59-L64 HydrophobicContact CG1-CG 4.02Å; S60-L64 PolarHBondContact O-N 3.25Å; H61-L64 WeakPolarHBondContact O-CB 3.32Å; H61-L64 PolarHBondContact O-N 3.45Å; E62-L64 VanDerWaalsContact C-N 3.32Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 2.67Å; L64-R67 PolarHBondContact O-N 2.82Å; L64-L68 WeakPolarHBondContact O-CB 3.45Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 3.32Å
65	L	62.4	Low	58	Low	94 Å²	94	103.4 Å²	103.4	49%	0.492	57%	0.568	S	S	.	*	H	α-helix	trans	-58.9	-42.2	176.6	-73.1	173.6	0	0	0	112.4	H61 E62 L68 S69	H61-L65 WeakPolarHBondContact O-CG 3.43Å; H61-L65 PolarHBondContact O-N 3.46Å; E62-L65 PolarHBondContact O-N 2.86Å; L65-L68 PolarHBondContact O-N 2.85Å; L65-S69 WeakPolarHBondContact O-CB 3.42Å; L65-S69 PolarHBondContact O-N 2.92Å
66	K	66.7	Low	59	Low	165 Å²	165	99 Å²	99	72%	0.717	54%	0.544	S	S	*	.	H	α-helix	trans	-68.8	-32.6	178.2	-168.3	171	-174.9	174.2	0	112.5	E62 L64 S70	E62-K66 WeakPolarHBondContact O-CB 3.25Å; E62-K66 PolarHBondContact O-N 2.84Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 2.67Å; K66-S70 VanDerWaalsContact O-CB 3.23Å; K66-S70 WeakPolarHBondContact O-CB 3.43Å; K66-S70 PolarHBondContact O-N 3.19Å
67	R	73.4	Confident	59.8	Low	158 Å²	158	103.9 Å²	103.9	60%	0.596	54%	0.541	S	S	*	.	H	α-helix	trans	-72.4	-39.2	171.3	-77.3	175.4	178	-155.4	-0.6	112.2	V63 L64 S70 L71	V63-R67 VanDerWaalsContact O-CB 3.3Å; V63-R67 WeakPolarHBondContact O-CB 3.1Å; V63-R67 WeakPolarHBondContact O-CG 2.99Å; V63-R67 PolarHBondContact O-N 3.34Å; L64-R67 PolarHBondContact O-N 2.82Å; R67-S70 PolarHBondContact O-N 3.13Å; R67-L71 WeakPolarHBondContact O-CB 3.43Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 3.07Å
68	L	63.5	Low	60.8	Low	103 Å²	103	105.1 Å²	105.1	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-50.5	174.3	-73.9	166.4	0	0	0	110.8	L64 L65 S70 L71 E72	L64-L68 WeakPolarHBondContact O-CB 3.45Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 3.32Å; L65-L68 PolarHBondContact O-N 2.85Å; L68-S70 VanDerWaalsContact C-N 3.3Å; L68-S70 PolarHBondContact O-N 3.39Å; L68-L71 WeakPolarHBondContact O-CB 3.34Å; L68-L71 PolarHBondContact O-N 3.38Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L68-E72 WeakPolarHBondContact O-CB 3.47Å; L68-E72 PolarHBondContact O-N 3.02Å
69	S	49	Very low	61.1	Low	69 Å²	69	101.3 Å²	101.3	48%	0.483	51%	0.507	S	S	.	.	H	α-helix	trans	-59.6	-37.8	174	172	0	0	0	0	112.5	L65 D73	L65-S69 WeakPolarHBondContact O-CB 3.42Å; L65-S69 PolarHBondContact O-N 2.92Å; S69-D73 VanDerWaalsContact O-CB 3.31Å; S69-D73 WeakPolarHBondContact O-CB 3.36Å; S69-D73 PolarHBondContact O-N 3.15Å
70	S	59	Low	61.2	Low	69 Å²	69	99.8 Å²	99.8	48%	0.483	50%	0.496	S	S	.	.	H	α-helix	trans	-71.9	-28.9	175	-173.8	0	0	0	0	113.6	K66 R67 L68 V74	K66-S70 VanDerWaalsContact O-CB 3.23Å; K66-S70 WeakPolarHBondContact O-CB 3.43Å; K66-S70 PolarHBondContact O-N 3.19Å; R67-S70 PolarHBondContact O-N 3.13Å; L68-S70 VanDerWaalsContact C-N 3.3Å; L68-S70 PolarHBondContact O-N 3.39Å; S70-V74 WeakPolarHBondContact O-CB 3.47Å; S70-V74 VanDerWaalsContact O-CG2 3.23Å; S70-V74 WeakPolarHBondContact O-CG2 3.37Å; S70-V74 PolarHBondContact O-N 2.77Å
71	L	58.7	Low	60.7	Low	111 Å²	111	99 Å²	99	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-74.2	-44.4	173.1	-87	161.4	0	0	0	110.5	R67 L68 D73 V74 V75	R67-L71 WeakPolarHBondContact O-CB 3.43Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 3.07Å; L68-L71 WeakPolarHBondContact O-CB 3.34Å; L68-L71 PolarHBondContact O-N 3.38Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L71-D73 PolarHBondContact O-N 2.76Å; L71-V74 PolarHBondContact O-N 2.78Å; L71-V75 WeakPolarHBondContact O-CB 3.46Å; L71-V75 VanDerWaalsContact O-CG2 3.29Å; L71-V75 WeakPolarHBondContact O-CG2 3.35Å; L71-V75 PolarHBondContact O-N 2.83Å
72	E	54.7	Low	61.3	Low	138 Å²	138	93.7 Å²	93.7	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-54.4	-50.4	171.9	-176.7	175.8	-160	0	0	110.5	L68 V74 V75 Y76	L68-E72 WeakPolarHBondContact O-CB 3.47Å; L68-E72 PolarHBondContact O-N 3.02Å; E72-V74 PolarHBondContact O-N 2.9Å; E72-V75 PolarHBondContact O-N 3.01Å; E72-Y76 WeakPolarHBondContact O-CB 3.45Å; E72-Y76 PolarHBondContact O-N 3.37Å
73	D	50	Low	62.2	Low	69 Å²	69	86.5 Å²	86.5	37%	0.369	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-33	179.8	-160.1	63.2	0	0	0	113	S69 L71 R77	S69-D73 VanDerWaalsContact O-CB 3.31Å; S69-D73 WeakPolarHBondContact O-CB 3.36Å; S69-D73 PolarHBondContact O-N 3.15Å; L71-D73 PolarHBondContact O-N 2.76Å; D73-R77 WeakPolarHBondContact O-CB 3.42Å; D73-R77 VanDerWaalsContact O-CD 3.32Å; D73-R77 WeakPolarHBondContact O-CD 3.46Å; D73-R77 WeakPolarHBondContact O-CG 3.19Å; D73-R77 PolarHBondContact O-N 2.98Å; D73-R77 IonicContact OD2-CZ 3.12Å; D73-R77 IonicContact OD2-NE 2.77Å; D73-R77 PolarHBondContact OD2-NE 2.9Å; D73-R77 IonicContact OD2-NH2 2.67Å; D73-R77 PolarHBondContact OD2-NH2 2.86Å
74	V	58.4	Low	62.6	Low	74 Å²	74	91.7 Å²	91.7	45%	0.448	46%	0.457	S	S	.	.	H	α-helix	trans	-71.4	-45.5	173.5	166.2	0	0	0	0	111.9	S70 L71 E72 R77 Q78	S70-V74 WeakPolarHBondContact O-CB 3.47Å; S70-V74 VanDerWaalsContact O-CG2 3.23Å; S70-V74 WeakPolarHBondContact O-CG2 3.37Å; S70-V74 PolarHBondContact O-N 2.77Å; L71-V74 PolarHBondContact O-N 2.78Å; E72-V74 PolarHBondContact O-N 2.9Å; V74-R77 PolarHBondContact O-N 2.79Å; V74-Q78 PolarHBondContact O-N 3.21Å
75	V	60.7	Low	63.2	Low	70 Å²	70	92.1 Å²	92.1	42%	0.424	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-45.2	176.1	168.4	0	0	0	0	110.1	L71 E72 R77 Q78 L79	L71-V75 WeakPolarHBondContact O-CB 3.46Å; L71-V75 VanDerWaalsContact O-CG2 3.29Å; L71-V75 WeakPolarHBondContact O-CG2 3.35Å; L71-V75 PolarHBondContact O-N 2.83Å; E72-V75 PolarHBondContact O-N 3.01Å; V75-R77 PolarHBondContact O-N 3.31Å; V75-Q78 PolarHBondContact O-N 3.32Å; V75-L79 HydrophobicContact CG1-CD1 3.62Å; V75-L79 HydrophobicContact CG1-CG 4.26Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 VanDerWaalsContact O-CG 3.29Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 2.89Å
76	Y	55.3	Low	64.1	Low	82 Å²	82	89.1 Å²	89.1	32%	0.322	45%	0.452	S	S	.	.	H	α-helix	trans	-59	-44.1	175.8	-165	-100.8	0	0	0	111.2	E72 L79 N80 G91	E72-Y76 WeakPolarHBondContact O-CB 3.45Å; E72-Y76 PolarHBondContact O-N 3.37Å; Y76-L79 PolarHBondContact O-N 2.94Å; Y76-N80 WeakPolarHBondContact CD1-ND2 3.47Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.46Å; Y76-N80 WeakPolarHBondContact O-CB 3.25Å; Y76-N80 PolarHBondContact O-N 2.7Å; Y76-N80 PolarHBondContact O-ND2 3.35Å; Y76-G91 WeakPolarHBondContact OH-CA 3.49Å
77	R	56.1	Low	64.9	Low	173 Å²	173	84.1 Å²	84.1	65%	0.653	45%	0.447	S	S	*	.	H	α-helix	trans	-63.9	-38.6	174.3	-73.9	166.5	-165.1	-124.6	6.5	113.7	D73 V74 V75	D73-R77 WeakPolarHBondContact O-CB 3.42Å; D73-R77 VanDerWaalsContact O-CD 3.32Å; D73-R77 WeakPolarHBondContact O-CD 3.46Å; D73-R77 WeakPolarHBondContact O-CG 3.19Å; D73-R77 PolarHBondContact O-N 2.98Å; D73-R77 IonicContact OD2-CZ 3.12Å; D73-R77 IonicContact OD2-NE 2.77Å; D73-R77 PolarHBondContact OD2-NE 2.9Å; D73-R77 IonicContact OD2-NH2 2.67Å; D73-R77 PolarHBondContact OD2-NH2 2.86Å; V74-R77 PolarHBondContact O-N 2.79Å; V75-R77 PolarHBondContact O-N 3.31Å
78	Q	60.5	Low	65.6	Low	146 Å²	146	77.2 Å²	77.2	68%	0.682	42%	0.422	S	S	*	.	H	α-helix	trans	-67.6	-43.2	175.1	-75.3	-172	-53.8	0	0	111.7	V74 V75 G81	V74-Q78 PolarHBondContact O-N 3.21Å; V75-Q78 PolarHBondContact O-N 3.32Å; Q78-G81 PolarHBondContact O-N 2.85Å
79	L	59.1	Low	66.8	Low	36 Å²	36	76 Å²	76	19%	0.188	42%	0.415	C	S	.	.	H	α-helix	trans	-72.2	-38.2	-177.1	-67	176.8	0	0	0	112.8	V75 Y76 G81 L82	V75-L79 HydrophobicContact CG1-CD1 3.62Å; V75-L79 HydrophobicContact CG1-CG 4.26Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 VanDerWaalsContact O-CG 3.29Å; V75-L79 WeakPolarHBondContact O-CG 3.36Å; V75-L79 PolarHBondContact O-N 2.89Å; Y76-L79 PolarHBondContact O-N 2.94Å; L79-G81 PolarHBondContact O-N 2.99Å; L79-L82 HydrophobicContact CD2-CD1 3.87Å; L79-L82 VanDerWaalsContact O-CB 3.25Å; L79-L82 WeakPolarHBondContact O-CB 3.25Å; L79-L82 WeakPolarHBondContact O-CG 3.42Å; L79-L82 PolarHBondContact O-N 2.86Å
80	N	57.7	Low	68.5	Low	41 Å²	41	73.8 Å²	73.8	22%	0.219	40%	0.397	C	S	.	.	H	α-helix	trans	-55.9	-24	171.3	-77.1	-42.4	0	0	0	113.5	Y76 L82 K84 E90	Y76-N80 WeakPolarHBondContact CD1-ND2 3.47Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.46Å; Y76-N80 WeakPolarHBondContact O-CB 3.25Å; Y76-N80 PolarHBondContact O-N 2.7Å; Y76-N80 PolarHBondContact O-ND2 3.35Å; N80-L82 PolarHBondContact O-N 3.14Å; N80-K84 WeakPolarHBondContact O-CB 3.21Å; N80-K84 PolarHBondContact O-N 3.08Å; N80-E90 WeakPolarHBondContact OD1-CB 3.28Å
81	G	63.3	Low	69.6	Low	39 Å²	39	70.9 Å²	70.9	40%	0.402	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-30.1	174	0	0	0	0	0	113.1	Q78 L79 S85	Q78-G81 PolarHBondContact O-N 2.85Å; L79-G81 PolarHBondContact O-N 2.99Å; G81-S85 PolarHBondContact O-N 2.67Å; G81-S85 VanDerWaalsContact O-N 3.09Å
82	L	76.2	Confident	70.4	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.152	38%	0.376	C	S	.	.	H	α-helix	trans	-66.9	-55.7	-179.9	-57.9	172.3	0	0	0	110.8	L79 N80 K84 S85 L86 Y210 K213 R214	L79-L82 HydrophobicContact CD2-CD1 3.87Å; L79-L82 VanDerWaalsContact O-CB 3.25Å; L79-L82 WeakPolarHBondContact O-CB 3.25Å; L79-L82 WeakPolarHBondContact O-CG 3.42Å; L79-L82 PolarHBondContact O-N 2.86Å; N80-L82 PolarHBondContact O-N 3.14Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.43Å; L82-S85 WeakPolarHBondContact O-CB 3.3Å; L82-S85 PolarHBondContact O-N 2.87Å; L82-S85 VanDerWaalsContact O-N 3.1Å; L82-S85 PolarHBondContact O-OG 3.33Å; L82-L86 PolarHBondContact O-N 2.94Å; L82-Y210 HydrophobicContact CB-CD2 3.65Å; L82-Y210 HydrophobicContact CB-CE2 3.48Å; L82-Y210 VanDerWaalsContact CB-CE2 3.48Å; L82-K213 HydrophobicContact CD1-CB 3.71Å; L82-K213 HydrophobicContact CD2-CB 4.09Å; L82-K213 HydrophobicContact CD2-CD 3.78Å; L82-R214 HydrophobicContact CD1-CB 4.17Å
83	S	79.6	Confident	71.6	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-40.2	179.4	-72	0	0	0	0	112	S85 L86 G87 L88 E90 L131 Y210	S83-S85 PolarHBondContact O-N 2.78Å; S83-L86 CarbonylContact O-C 3.43Å; S83-L86 WeakPolarHBondContact O-CA 3.31Å; S83-L86 WeakPolarHBondContact O-CB 3.45Å; S83-L86 PolarHBondContact O-N 2.84Å; S83-G87 PolarHBondContact O-N 2.74Å; S83-G87 VanDerWaalsContact O-N 3.16Å; S83-L88 CarbonylContact C-O 3.42Å; S83-L88 PolarHBondContact O-N 2.57Å; S83-E90 WeakPolarHBondContact CB-OE1 3.49Å; S83-E90 VanDerWaalsContact OG-CD 3.32Å; S83-E90 WeakPolarHBondContact OG-CG 3.35Å; S83-E90 PolarHBondContact OG-OE1 2.88Å; S83-L131 WeakPolarHBondContact OG-CD1 3.23Å; S83-Y210 WeakPolarHBondContact OG-CE2 3.42Å; S83-Y210 PolarHBondContact OG-OH 2.8Å
84	K	80.8	Confident	73.5	Confident	172 Å²	172	66.3 Å²	66.3	75%	0.748	38%	0.376	S	S	*	.	H	α-helix	trans	-60.1	-34.7	176.6	-171.4	176.5	179.3	-178	0	112.4	N80 L82 L86 G87	N80-K84 WeakPolarHBondContact O-CB 3.21Å; N80-K84 PolarHBondContact O-N 3.08Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 3.43Å; K84-L86 PolarHBondContact O-N 2.04Å; K84-G87 PolarHBondContact O-N 2.96Å
85	S	81.6	Confident	75.1	Confident	95 Å²	95	66.6 Å²	66.6	66%	0.664	37%	0.369	S	S	*	.	H	α-helix	trans	-68.3	-21.1	174.8	76.1	0	0	0	0	113.8	G81 L82 S83	G81-S85 PolarHBondContact O-N 2.67Å; G81-S85 VanDerWaalsContact O-N 3.09Å; L82-S85 WeakPolarHBondContact O-CB 3.3Å; L82-S85 PolarHBondContact O-N 2.87Å; L82-S85 VanDerWaalsContact O-N 3.1Å; L82-S85 PolarHBondContact O-OG 3.33Å; S83-S85 PolarHBondContact O-N 2.78Å
86	L	82.3	Confident	76.7	Confident	31 Å²	31	63.6 Å²	63.6	16%	0.162	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.8	175.9	-58.9	166.4	0	0	0	112.8	L82 S83 K84 L88 L166 L170 P206 Y210	L82-L86 PolarHBondContact O-N 2.94Å; S83-L86 CarbonylContact O-C 3.43Å; S83-L86 WeakPolarHBondContact O-CA 3.31Å; S83-L86 WeakPolarHBondContact O-CB 3.45Å; S83-L86 PolarHBondContact O-N 2.84Å; K84-L86 PolarHBondContact O-N 2.04Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 HydrophobicContact CB-CD1 4.19Å; L86-L88 HydrophobicContact CB-CG 4.09Å; L86-L166 HydrophobicContact CB-CD2 4.47Å; L86-L166 HydrophobicContact CD1-CD2 4.22Å; L86-L166 HydrophobicContact CD2-CD2 4.26Å; L86-L170 HydrophobicContact CD1-CD1 4.38Å; L86-P206 HydrophobicContact CD2-CB 3.76Å; L86-Y210 HydrophobicContact CD1-CD2 3.44Å; L86-Y210 VanDerWaalsContact CD1-CD2 3.44Å; L86-Y210 HydrophobicContact CD1-CE2 4.23Å; L86-Y210 HydrophobicContact CD1-CG 4.02Å
87	G	82.7	Confident	78.5	Confident	60 Å²	60	64.9 Å²	64.9	62%	0.619	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	9.8	-174.3	0	0	0	0	0	115.1	S83 K84	S83-G87 PolarHBondContact O-N 2.74Å; S83-G87 VanDerWaalsContact O-N 3.16Å; K84-G87 PolarHBondContact O-N 2.96Å
88	L	88.5	Confident	80.3	Confident	14 Å²	14	58 Å²	58	7%	0.073	34%	0.342	C	S	.	.			trans	-99.9	164.6	-173.9	-56.1	-178.5	0	0	0	112.7	S83 L86 D127 L131 L166 L170	S83-L88 CarbonylContact C-O 3.42Å; S83-L88 PolarHBondContact O-N 2.57Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 HydrophobicContact CB-CD1 4.19Å; L86-L88 HydrophobicContact CB-CG 4.09Å; L88-D127 HydrophobicContact CD2-CB 4.16Å; L88-L131 HydrophobicContact CB-CD1 4.48Å; L88-L131 HydrophobicContact CD1-CD1 4.43Å; L88-L166 HydrophobicContact CD1-CD2 4.34Å; L88-L166 HydrophobicContact CD1-CG 4.32Å; L88-L170 HydrophobicContact CD1-CD1 3.8Å
89	I	88.2	Confident	81.9	Confident	76 Å²	76	51.2 Å²	51.2	39%	0.39	31%	0.311	S	S	.	.			trans	-118.6	136.2	-173	-54.3	178.1	0	0	0	110	S130 L131	I89-S130 CarbonylContact O-C 3.58Å; I89-S130 WeakPolarHBondContact O-CA 3.4Å; I89-S130 PolarHBondContact O-OG 3.3Å; I89-L131 WeakPolarHBondContact O-CG 3.26Å; I89-L131 PolarHBondContact O-N 2.85Å
90	E	85.3	Confident	83.6	Confident	24 Å²	24	55 Å²	55	11%	0.112	33%	0.331	C	S	.	.			trans	-116.6	161.1	174.5	-81.8	-179.8	-117.4	0	0	111.6	N80 S83 S130 L131 D132 H174 Y210 R214	N80-E90 WeakPolarHBondContact OD1-CB 3.28Å; S83-E90 WeakPolarHBondContact CB-OE1 3.49Å; S83-E90 VanDerWaalsContact OG-CD 3.32Å; S83-E90 WeakPolarHBondContact OG-CG 3.35Å; S83-E90 PolarHBondContact OG-OE1 2.88Å; E90-S130 WeakPolarHBondContact CA-OG 3.49Å; E90-L131 HydrophobicContact CG-CB 4.45Å; E90-L131 HydrophobicContact CG-CD1 4.2Å; E90-D132 WeakPolarHBondContact CA-OD2 3.32Å; E90-D132 WeakPolarHBondContact CB-OD2 3.43Å; E90-H174 IonicContact OE2-CE1 2.74Å; E90-Y210 PolarHBondContact OE1-OH 2.81Å; E90-R214 IonicContact OE1-NE 3.88Å; E90-R214 IonicContact OE2-CZ 3.46Å; E90-R214 VanDerWaalsContact OE2-CZ 3.22Å; E90-R214 IonicContact OE2-NE 2.66Å; E90-R214 PolarHBondContact OE2-NE 3.47Å; E90-R214 IonicContact OE2-NH2 3.98Å; E90-R214 PolarHBondContact OE2-NH2 2.93Å
91	G	82.1	Confident	85.5	Confident	7 Å²	7	56 Å²	56	7%	0.072	34%	0.34	C	S	.	.	S	Bend	trans	88.4	161.3	177.2	0	0	0	0	0	117	Y76 G93 S130 D132	Y76-G91 WeakPolarHBondContact OH-CA 3.49Å; G91-G93 PolarHBondContact O-N 3.02Å; G91-S130 PolarHBondContact N-OG 2.85Å; G91-S130 VanDerWaalsContact N-OG 3.16Å; G91-S130 WeakPolarHBondContact O-CB 3.11Å; G91-S130 PolarHBondContact O-OG 2.96Å; G91-D132 PolarHBondContact N-OD2 2.97Å
92	F	76.3	Confident	87	Confident	124 Å²	124	54.5 Å²	54.5	54%	0.544	32%	0.323	S	S	.	.	S	Bend	trans	-73.6	32.7	-166.3	-43.3	-74.3	0	0	0	116.6	K97 D132 T134	F92-K97 VanDerWaalsContact O-CD 3.31Å; F92-K97 WeakPolarHBondContact O-CD 3.41Å; F92-K97 WeakPolarHBondContact O-CE 3.48Å; F92-K97 PolarHBondContact O-NZ 3.09Å; F92-K97 VanDerWaalsContact O-NZ 3.11Å; F92-D132 HydrophobicContact CD1-CB 4.38Å; F92-D132 WeakPolarHBondContact CD1-O 3.38Å; F92-D132 HydrophobicContact CE1-CB 4.26Å; F92-T134 HydrophobicContact CD1-CG2 4.12Å
93	G	79.4	Confident	87.8	Confident	32 Å²	32	58.1 Å²	58.1	33%	0.33	35%	0.347	S	S	.	.			trans	-127.4	-175.4	-174.3	0	0	0	0	0	114.1	G91	G91-G93 PolarHBondContact O-N 3.02Å
94	G	89.1	Confident	88.4	Confident	66 Å²	66	59.1 Å²	59.1	68%	0.68	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	81	-160.7	173.2	0	0	0	0	0	115.4
95	R	93.6	Very high	89	Confident	81 Å²	81	53.3 Å²	53.3	31%	0.306	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-63.7	146.6	177.9	-73	-179.4	173.9	166.5	-2.7	110.6	K97 A102 T103 E108 I129	R95-K97 VanDerWaalsContact C-N 3.25Å; R95-K97 PolarHBondContact O-N 3.45Å; R95-A102 HydrophobicContact CB-CB 4.03Å; R95-T103 PolarHBondContact NE-O 3.34Å; R95-E108 IonicContact CZ-OE1 3.74Å; R95-E108 IonicContact CZ-OE2 2.99Å; R95-E108 IonicContact NH1-OE1 3.72Å; R95-E108 PolarHBondContact NH1-OE1 2.97Å; R95-E108 IonicContact NH1-OE2 2.96Å; R95-E108 IonicContact NH2-OE1 2.83Å; R95-E108 PolarHBondContact NH2-OE1 3.44Å; R95-E108 IonicContact NH2-OE2 2.66Å; R95-E108 PolarHBondContact NH2-OE2 3.12Å; R95-I129 HydrophobicContact CB-CG1 4.05Å
96	G	92.9	Very high	89.4	Confident	6 Å²	6	54.2 Å²	54.2	6%	0.062	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	7.3	173.8	0	0	0	0	0	115.7	G99 L100 R133	G96-G99 PolarHBondContact O-N 2.97Å; G96-L100 WeakPolarHBondContact CA-O 3.49Å; G96-R133 WeakPolarHBondContact O-CD 3.35Å; G96-R133 PolarHBondContact O-NH1 3.34Å
97	K	93.7	Very high	89.8	Confident	110 Å²	110	59 Å²	59	48%	0.478	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-59.3	138.3	178.5	179.4	179.9	-179.1	163.4	0	111.7	F92 R95 G99 L100	F92-K97 VanDerWaalsContact O-CD 3.31Å; F92-K97 WeakPolarHBondContact O-CD 3.41Å; F92-K97 WeakPolarHBondContact O-CE 3.48Å; F92-K97 PolarHBondContact O-NZ 3.09Å; F92-K97 VanDerWaalsContact O-NZ 3.11Å; R95-K97 VanDerWaalsContact C-N 3.25Å; R95-K97 PolarHBondContact O-N 3.45Å; K97-G99 PolarHBondContact O-N 3.23Å; K97-L100 WeakPolarHBondContact O-CB 3.33Å; K97-L100 WeakPolarHBondContact O-CG 3.46Å; K97-L100 PolarHBondContact O-N 2.89Å
98	G	92.9	Very high	90.3	Very high	29 Å²	29	57.5 Å²	57.5	30%	0.299	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	69.1	20.5	-179.4	0	0	0	0	0	113.5	L100 T134 P136	G98-L100 PolarHBondContact O-N 3.23Å; G98-T134 CarbonylContact C-O 3.54Å; G98-T134 WeakPolarHBondContact CA-O 3.46Å; G98-T134 PolarHBondContact N-O 2.78Å; G98-T134 PolarHBondContact N-OG1 3.43Å; G98-P136 WeakPolarHBondContact O-CD 3.31Å
99	G	94.1	Very high	90.4	Very high	3 Å²	3	60 Å²	60	3%	0.031	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	65.2	13.3	-172.6	0	0	0	0	0	114.8	G96 K97 T134 E288 V289	G96-G99 PolarHBondContact O-N 2.97Å; K97-G99 PolarHBondContact O-N 3.23Å; G99-T134 PolarHBondContact N-O 2.94Å; G99-E288 CarbonylContact O-C 3.36Å; G99-E288 WeakPolarHBondContact O-CA 3.4Å; G99-V289 PolarHBondContact O-N 2.8Å
100	L	96.1	Very high	90.6	Very high	114 Å²	114	60.6 Å²	60.6	60%	0.597	35%	0.354	S	S	*	.			trans	-69.2	153.4	178.5	-65.4	176.9	0	0	0	111.7	G96 K97 G98 A102	G96-L100 WeakPolarHBondContact CA-O 3.49Å; K97-L100 WeakPolarHBondContact O-CB 3.33Å; K97-L100 WeakPolarHBondContact O-CG 3.46Å; K97-L100 PolarHBondContact O-N 2.89Å; G98-L100 PolarHBondContact O-N 3.23Å; L100-A102 PolarHBondContact O-N 3.17Å
101	P	96.4	Very high	90.8	Very high	64 Å²	64	63.6 Å²	63.6	42%	0.416	37%	0.371	S	S	.	.			trans	-60.8	131.6	177.1	23.7	-31.8	0	0	0	110.7	T286 E288	P101-T286 HydrophobicContact CB-CG2 4.46Å; P101-E288 HydrophobicContact CB-CB 3.98Å; P101-E288 HydrophobicContact CB-CG 4.31Å; P101-E288 WeakPolarHBondContact CD-OE1 3.42Å; P101-E288 HydrophobicContact CG-CG 4.48Å
102	A	94.9	Very high	91.3	Very high	6 Å²	6	63.3 Å²	63.3	5%	0.05	37%	0.367	C	S	.	.			trans	-105.3	144.9	175.2	0	0	0	0	0	111	R95 L100 L125 I129 T286	R95-A102 HydrophobicContact CB-CB 4.03Å; L100-A102 PolarHBondContact O-N 3.17Å; A102-L125 HydrophobicContact CB-CD1 3.87Å; A102-L125 HydrophobicContact CB-CD2 4.08Å; A102-L125 HydrophobicContact CB-CG 4.32Å; A102-L125 WeakPolarHBondContact O-CD2 3.43Å; A102-I129 HydrophobicContact CB-CD1 3.98Å; A102-I129 HydrophobicContact CB-CG1 4.37Å; A102-T286 WeakPolarHBondContact CB-O 3.46Å; A102-T286 PolarHBondContact N-O 2.78Å
103	T	92.4	Very high	92.1	Very high	105 Å²	105	63.2 Å²	63.2	64%	0.644	37%	0.367	S	S	*	.			trans	-120.4	153.2	-176.2	53	0	0	0	0	112	R95	R95-T103 PolarHBondContact NE-O 3.34Å
104	L	92.9	Very high	92.6	Very high	23 Å²	23	69.1 Å²	69.1	12%	0.12	38%	0.38	C	S	.	.			trans	-104.7	153	170.4	-66.8	-175.8	0	0	0	109.7	E108 E109 A112 Y124 L125	L104-E108 HydrophobicContact CB-CB 3.84Å; L104-E108 HydrophobicContact CD1-CB 4.36Å; L104-E108 HydrophobicContact CD2-CB 4.09Å; L104-E108 HydrophobicContact CG-CB 4.31Å; L104-E109 HydrophobicContact CB-CG 3.92Å; L104-A112 HydrophobicContact CD1-CB 3.6Å; L104-Y124 HydrophobicContact CD1-CD1 3.78Å; L104-Y124 HydrophobicContact CD1-CE1 4.3Å; L104-Y124 HydrophobicContact CD2-CD1 3.97Å; L104-Y124 HydrophobicContact CD2-CE1 4.12Å; L104-L125 HydrophobicContact CD1-CB 4.28Å; L104-L125 HydrophobicContact CD2-CB 4Å; L104-L125 HydrophobicContact CD2-CD1 3.62Å; L104-L125 HydrophobicContact CD2-CG 4.37Å; L104-L125 HydrophobicContact CG-CB 4.2Å; L104-L125 HydrophobicContact CG-CD1 4.14Å
105	S	92.9	Very high	92.8	Very high	49 Å²	49	67.8 Å²	67.8	34%	0.343	36%	0.357	S	S	.	.			trans	-73.4	161.7	167.5	61.3	0	0	0	0	111.7	L107 E108 E109	S105-L107 PolarHBondContact O-N 3.5Å; S105-L107 VanDerWaalsContact O-N 3.09Å; S105-E108 WeakPolarHBondContact CB-OE2 3.46Å; S105-E108 PolarHBondContact N-OE2 2.96Å; S105-E108 WeakPolarHBondContact O-CB 3.38Å; S105-E108 PolarHBondContact O-N 3.35Å; S105-E108 VanDerWaalsContact O-N 3.12Å; S105-E108 VanDerWaalsContact OG-CG 3.29Å; S105-E108 WeakPolarHBondContact OG-CG 3.45Å; S105-E108 PolarHBondContact OG-OE2 3.37Å; S105-E109 PolarHBondContact O-N 3.03Å
106	P	91.3	Very high	92.7	Very high	114 Å²	114	66.6 Å²	66.6	74%	0.74	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.5	-179.8	-26.4	36	0	0	0	115.3	N110	P106-N110 PolarHBondContact O-ND2 2.8Å; P106-N110 VanDerWaalsContact O-ND2 3.1Å
107	L	90.3	Very high	92.6	Very high	132 Å²	132	72.2 Å²	72.2	69%	0.691	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-52.9	172.6	-172	70.1	0	0	0	110.5	S105 E109 N110	S105-L107 PolarHBondContact O-N 3.5Å; S105-L107 VanDerWaalsContact O-N 3.09Å; L107-E109 PolarHBondContact O-N 2.87Å; L107-N110 WeakPolarHBondContact O-CB 3.26Å; L107-N110 PolarHBondContact O-N 2.95Å
108	E	92.4	Very high	92.3	Very high	29 Å²	29	68.8 Å²	68.8	14%	0.136	36%	0.364	C	S	.	.	H	α-helix	trans	-56.1	-34	176.2	-73.4	176	104.2	0	0	113.1	R95 L104 S105 N110 D111 A112 Y124 R128	R95-E108 IonicContact CZ-OE1 3.74Å; R95-E108 IonicContact CZ-OE2 2.99Å; R95-E108 IonicContact NH1-OE1 3.72Å; R95-E108 PolarHBondContact NH1-OE1 2.97Å; R95-E108 IonicContact NH1-OE2 2.96Å; R95-E108 IonicContact NH2-OE1 2.83Å; R95-E108 PolarHBondContact NH2-OE1 3.44Å; R95-E108 IonicContact NH2-OE2 2.66Å; R95-E108 PolarHBondContact NH2-OE2 3.12Å; L104-E108 HydrophobicContact CB-CB 3.84Å; L104-E108 HydrophobicContact CD1-CB 4.36Å; L104-E108 HydrophobicContact CD2-CB 4.09Å; L104-E108 HydrophobicContact CG-CB 4.31Å; S105-E108 WeakPolarHBondContact CB-OE2 3.46Å; S105-E108 PolarHBondContact N-OE2 2.96Å; S105-E108 WeakPolarHBondContact O-CB 3.38Å; S105-E108 PolarHBondContact O-N 3.35Å; S105-E108 VanDerWaalsContact O-N 3.12Å; S105-E108 VanDerWaalsContact OG-CG 3.29Å; S105-E108 WeakPolarHBondContact OG-CG 3.45Å; S105-E108 PolarHBondContact OG-OE2 3.37Å; E108-N110 PolarHBondContact O-N 2.67Å; E108-D111 PolarHBondContact O-N 2.62Å; E108-A112 VanDerWaalsContact O-CB 3.31Å; E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 2.9Å; E108-Y124 HydrophobicContact CB-CE1 3.63Å; E108-Y124 HydrophobicContact CG-CE1 3.84Å; E108-R128 WeakPolarHBondContact OE1-CD 3.41Å; E108-R128 IonicContact OE1-NE 2.74Å; E108-R128 PolarHBondContact OE1-NE 2.95Å
109	E	91.9	Very high	92.2	Very high	65 Å²	65	68.4 Å²	68.4	30%	0.304	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-22.8	174.6	-88.1	-61.5	149.2	0	0	113.9	L104 S105 L107 K113 K116	L104-E109 HydrophobicContact CB-CG 3.92Å; S105-E109 PolarHBondContact O-N 3.03Å; L107-E109 PolarHBondContact O-N 2.87Å; E109-K113 WeakPolarHBondContact O-CG 3.03Å; E109-K116 IonicContact OE1-NZ 2.8Å; E109-K116 PolarHBondContact OE1-NZ 2.82Å; E109-K116 IonicContact OE2-NZ 3.53Å; E109-K116 PolarHBondContact OE2-NZ 3.03Å
110	N	90.9	Very high	92.2	Very high	89 Å²	89	68.4 Å²	68.4	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-75.8	-47.4	172.4	-74.1	-58.9	0	0	0	111.3	P106 L107 E108 A112 K113	P106-N110 PolarHBondContact O-ND2 2.8Å; P106-N110 VanDerWaalsContact O-ND2 3.1Å; L107-N110 WeakPolarHBondContact O-CB 3.26Å; L107-N110 PolarHBondContact O-N 2.95Å; E108-N110 PolarHBondContact O-N 2.67Å; N110-A112 VanDerWaalsContact C-N 3.27Å; N110-A112 PolarHBondContact O-N 3.41Å; N110-K113 WeakPolarHBondContact O-CB 3.12Å; N110-K113 PolarHBondContact O-N 2.76Å; N110-K113 PolarHBondContact OD1-NZ 2.76Å
111	D	90.8	Very high	92.1	Very high	88 Å²	88	63 Å²	63	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-40.6	176.3	-57.1	-11.5	0	0	0	111.7	E108 K113 Y124	E108-D111 PolarHBondContact O-N 2.62Å; D111-K113 PolarHBondContact O-N 3.24Å; D111-Y124 HydrophobicContact CB-CD2 3.85Å; D111-Y124 HydrophobicContact CB-CE2 3.17Å; D111-Y124 PolarHBondContact OD2-OH 2.92Å
112	A	93	Very high	92.1	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-21.8	-176.1	0	0	0	0	0	114	L104 E108 N110 Y114 L115 K116 Y124	L104-A112 HydrophobicContact CD1-CB 3.6Å; E108-A112 VanDerWaalsContact O-CB 3.31Å; E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 2.9Å; N110-A112 VanDerWaalsContact C-N 3.27Å; N110-A112 PolarHBondContact O-N 3.41Å; A112-Y114 PolarHBondContact O-N 2.95Å; A112-L115 PolarHBondContact O-N 2.93Å; A112-K116 HydrophobicContact CB-CD 4.31Å; A112-K116 WeakPolarHBondContact O-CB 3.36Å; A112-K116 WeakPolarHBondContact O-CG 3.41Å; A112-K116 PolarHBondContact O-N 2.61Å; A112-Y124 HydrophobicContact CB-CD1 4.05Å; A112-Y124 HydrophobicContact CB-CG 3.89Å
113	K	91.8	Very high	92.1	Very high	123 Å²	123	59.8 Å²	59.8	54%	0.535	30%	0.304	S	S	.	.	H	α-helix	trans	-54	-48	-175.7	-76	165.7	-177	173.5	0	113.1	E109 N110 D111 E117	E109-K113 WeakPolarHBondContact O-CG 3.03Å; N110-K113 WeakPolarHBondContact O-CB 3.12Å; N110-K113 PolarHBondContact O-N 2.76Å; N110-K113 PolarHBondContact OD1-NZ 2.76Å; D111-K113 PolarHBondContact O-N 3.24Å; K113-E117 WeakPolarHBondContact O-CB 3.42Å; K113-E117 PolarHBondContact O-N 2.78Å
114	Y	91.2	Very high	92.2	Very high	155 Å²	155	55.9 Å²	55.9	61%	0.608	28%	0.278	S	S	*	.	H	α-helix	trans	-64.1	-42.8	-179.1	173	-105.5	0	0	0	111.8	A112 E117 K118	A112-Y114 PolarHBondContact O-N 2.95Å; Y114-E117 PolarHBondContact O-N 2.82Å; Y114-K118 WeakPolarHBondContact O-CB 3.32Å; Y114-K118 PolarHBondContact O-N 2.74Å
115	L	91.6	Very high	92.4	Very high	38 Å²	38	54.9 Å²	54.9	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-75.3	-35.4	-178.1	-59.2	-177.3	0	0	0	112.5	A112 E117 K118 Y119 A123 Y124	A112-L115 PolarHBondContact O-N 2.93Å; L115-E117 VanDerWaalsContact C-N 3.29Å; L115-E117 PolarHBondContact O-N 2.95Å; L115-K118 PolarHBondContact O-N 3.3Å; L115-Y119 HydrophobicContact CB-CD2 4.43Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å; L115-Y119 WeakPolarHBondContact O-CD2 3.36Å; L115-Y119 PolarHBondContact O-N 3.14Å; L115-A123 HydrophobicContact CB-CB 4.29Å; L115-Y124 HydrophobicContact CD1-CD2 4.31Å
116	K	92.5	Very high	92.6	Very high	57 Å²	57	52.5 Å²	52.5	25%	0.248	26%	0.256	C	S	.	.	H	α-helix	trans	-54.2	-47.2	167.8	-76.6	176.4	179.5	-174.9	0	110.7	E109 A112 G120 Y121 N122	E109-K116 IonicContact OE1-NZ 2.8Å; E109-K116 PolarHBondContact OE1-NZ 2.82Å; E109-K116 IonicContact OE2-NZ 3.53Å; E109-K116 PolarHBondContact OE2-NZ 3.03Å; A112-K116 HydrophobicContact CB-CD 4.31Å; A112-K116 WeakPolarHBondContact O-CB 3.36Å; A112-K116 WeakPolarHBondContact O-CG 3.41Å; A112-K116 PolarHBondContact O-N 2.61Å; K116-G120 WeakPolarHBondContact O-CA 3.5Å; K116-G120 PolarHBondContact O-N 3.34Å; K116-Y121 WeakPolarHBondContact CA-O 3.41Å; K116-N122 WeakPolarHBondContact CE-ND2 3.46Å; K116-N122 WeakPolarHBondContact CE-OD1 3.46Å; K116-N122 HydrophobicContact CG-CB 3.98Å
117	E	90	Very high	92.7	Very high	124 Å²	124	49 Å²	49	58%	0.579	23%	0.231	S	C	*	.	H	α-helix	trans	-78	-26.4	-178.9	-177.5	55.7	-166	0	0	113.8	K113 Y114 L115 K387	K113-E117 WeakPolarHBondContact O-CB 3.42Å; K113-E117 PolarHBondContact O-N 2.78Å; Y114-E117 PolarHBondContact O-N 2.82Å; L115-E117 VanDerWaalsContact C-N 3.29Å; L115-E117 PolarHBondContact O-N 2.95Å; E117-K387 WeakPolarHBondContact O-CE 3.5Å; E117-K387 PolarHBondContact O-NZ 3.49Å; E117-K387 IonicContact OE1-NZ 3.57Å; E117-K387 PolarHBondContact OE1-NZ 2.87Å; E117-K387 VanDerWaalsContact OE2-CE 3.32Å; E117-K387 WeakPolarHBondContact OE2-CE 3.36Å; E117-K387 IonicContact OE2-NZ 3.59Å; E117-K387 PolarHBondContact OE2-NZ 3.06Å
118	K	88.5	Confident	92.9	Very high	38 Å²	38	46.5 Å²	46.5	17%	0.165	21%	0.212	C	C	.	.	H	α-helix	trans	-68.6	-56.5	172.1	-175.7	-177	173.4	-170.4	0	111.6	Y114 L115 D197	Y114-K118 WeakPolarHBondContact O-CB 3.32Å; Y114-K118 PolarHBondContact O-N 2.74Å; L115-K118 PolarHBondContact O-N 3.3Å; K118-D197 WeakPolarHBondContact CE-OD2 3.43Å; K118-D197 IonicContact NZ-OD1 2.76Å; K118-D197 PolarHBondContact NZ-OD1 3.46Å; K118-D197 IonicContact NZ-OD2 3.72Å; K118-D197 PolarHBondContact NZ-OD2 2.75Å
119	Y	91	Very high	93.1	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.078	21%	0.207	C	C	.	.	H	α-helix	trans	-91.7	-17	-168.8	-61.4	-70	0	0	0	114.2	L115 Y121 A123 N163 A165 R385	L115-Y119 HydrophobicContact CB-CD2 4.43Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å; L115-Y119 WeakPolarHBondContact O-CD2 3.36Å; L115-Y119 PolarHBondContact O-N 3.14Å; Y119-Y121 VanDerWaalsContact C-N 3.28Å; Y119-A123 HydrophobicContact CD2-CB 3.42Å; Y119-A123 VanDerWaalsContact CD2-CB 3.42Å; Y119-A123 HydrophobicContact CE2-CB 3.77Å; Y119-A123 HydrophobicContact CG-CB 4.3Å; Y119-N163 VanDerWaalsContact CE1-O 3.29Å; Y119-N163 WeakPolarHBondContact CE1-O 3.29Å; Y119-A165 HydrophobicContact CD2-CB 4.42Å; Y119-A165 HydrophobicContact CE1-CB 4.32Å; Y119-A165 HydrophobicContact CE2-CB 4.19Å; Y119-R385 PolarHBondContact O-NH1 3.06Å
120	G	92.8	Very high	93.3	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.031	19%	0.192	C	C	.	.	S	Bend	trans	78.8	11	-170.3	0	0	0	0	0	113.8	K116 R385 M386	K116-G120 WeakPolarHBondContact O-CA 3.5Å; K116-G120 PolarHBondContact O-N 3.34Å; G120-R385 WeakPolarHBondContact O-CA 3.34Å; G120-M386 PolarHBondContact O-N 2.96Å
121	Y	95.4	Very high	93.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	17%	0.17	C	C	.	.	S	Bend	trans	-153.2	163.9	173.1	63	-106.8	0	0	0	110.5	K116 Y119 A123 E164 A165 V168 H284 F287 I383 R385	K116-Y121 WeakPolarHBondContact CA-O 3.41Å; Y119-Y121 VanDerWaalsContact C-N 3.28Å; Y121-A123 VanDerWaalsContact C-N 3.3Å; Y121-A123 HydrophobicContact CD2-CB 4.2Å; Y121-A123 HydrophobicContact CE2-CB 3.77Å; Y121-A123 PolarHBondContact O-N 3.47Å; Y121-E164 WeakPolarHBondContact CE1-OE1 3.33Å; Y121-E164 PolarHBondContact OH-OE1 2.82Å; Y121-A165 HydrophobicContact CE2-CB 4.12Å; Y121-A165 VanDerWaalsContact OH-CB 3.26Å; Y121-A165 WeakPolarHBondContact OH-CB 3.47Å; Y121-A165 PolarHBondContact OH-N 2.91Å; Y121-V168 HydrophobicContact CE2-CG2 3.71Å; Y121-H284 CarbonylContact C-O 3.56Å; Y121-H284 WeakPolarHBondContact CA-O 3.45Å; Y121-H284 WeakPolarHBondContact CB-O 3.18Å; Y121-F287 HydrophobicContact CD2-CE2 4.32Å; Y121-F287 AromaticContact CD2-CZ 3.89Å; Y121-F287 HydrophobicContact CD2-CZ 3.89Å; Y121-F287 HydrophobicContact CE2-CZ 4.38Å; Y121-I383 HydrophobicContact CD1-CG2 3.89Å; Y121-I383 HydrophobicContact CG-CG2 3.95Å; Y121-R385 HydrophobicContact CD1-CG 4.23Å
122	N	95.7	Very high	93.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	15%	0.15	C	C	.	.			trans	-76.2	67.8	-174.3	-166.9	-0.4	0	0	0	113.1	K116 Y124 L125 S126 H284 D285 F287	K116-N122 WeakPolarHBondContact CE-ND2 3.46Å; K116-N122 WeakPolarHBondContact CE-OD1 3.46Å; K116-N122 HydrophobicContact CG-CB 3.98Å; N122-Y124 PolarHBondContact O-N 3.4Å; N122-L125 HydrophobicContact CB-CB 4.15Å; N122-L125 VanDerWaalsContact ND2-CB 3.3Å; N122-L125 WeakPolarHBondContact ND2-CB 3.46Å; N122-L125 PolarHBondContact O-N 2.95Å; N122-L125 VanDerWaalsContact O-N 3.08Å; N122-L125 PolarHBondContact OD1-N 3.43Å; N122-S126 PolarHBondContact O-N 3.25Å; N122-H284 WeakPolarHBondContact CB-O 3.37Å; N122-H284 PolarHBondContact N-O 2.77Å; N122-D285 WeakPolarHBondContact CB-O 3.43Å; N122-D285 PolarHBondContact ND2-O 3.49Å; N122-F287 HydrophobicContact CB-CE2 4.31Å; N122-F287 WeakPolarHBondContact O-CE2 3.47Å
123	A	94.7	Very high	93.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-56.4	-37.6	179.7	0	0	0	0	0	112.5	L115 Y119 Y121 L125 S126 D127 A165	L115-A123 HydrophobicContact CB-CB 4.29Å; Y119-A123 HydrophobicContact CD2-CB 3.42Å; Y119-A123 VanDerWaalsContact CD2-CB 3.42Å; Y119-A123 HydrophobicContact CE2-CB 3.77Å; Y119-A123 HydrophobicContact CG-CB 4.3Å; Y121-A123 VanDerWaalsContact C-N 3.3Å; Y121-A123 HydrophobicContact CD2-CB 4.2Å; Y121-A123 HydrophobicContact CE2-CB 3.77Å; Y121-A123 PolarHBondContact O-N 3.47Å; A123-L125 VanDerWaalsContact C-N 3.27Å; A123-L125 PolarHBondContact O-N 3.25Å; A123-S126 CarbonylContact O-C 3.48Å; A123-S126 WeakPolarHBondContact O-CA 3.29Å; A123-S126 WeakPolarHBondContact O-CB 3.42Å; A123-S126 PolarHBondContact O-N 3.09Å; A123-D127 PolarHBondContact O-N 3.36Å; A123-A165 HydrophobicContact CB-CB 3.85Å
124	Y	95.3	Very high	93.8	Very high	23 Å²	23	31.2 Å²	31.2	9%	0.09	14%	0.141	C	C	.	.	H	α-helix	trans	-54	-40.5	175.1	-173.6	-81.8	0	0	0	113.3	L104 E108 D111 A112 L115 N122 R128	L104-Y124 HydrophobicContact CD1-CD1 3.78Å; L104-Y124 HydrophobicContact CD1-CE1 4.3Å; L104-Y124 HydrophobicContact CD2-CD1 3.97Å; L104-Y124 HydrophobicContact CD2-CE1 4.12Å; E108-Y124 HydrophobicContact CB-CE1 3.63Å; E108-Y124 HydrophobicContact CG-CE1 3.84Å; D111-Y124 HydrophobicContact CB-CD2 3.85Å; D111-Y124 HydrophobicContact CB-CE2 3.17Å; D111-Y124 PolarHBondContact OD2-OH 2.92Å; A112-Y124 HydrophobicContact CB-CD1 4.05Å; A112-Y124 HydrophobicContact CB-CG 3.89Å; L115-Y124 HydrophobicContact CD1-CD2 4.31Å; N122-Y124 PolarHBondContact O-N 3.4Å; Y124-R128 VanDerWaalsContact CE1-NE 3.3Å; Y124-R128 WeakPolarHBondContact O-CD 3.46Å; Y124-R128 PolarHBondContact O-NH1 3.01Å; Y124-R128 PolarHBondContact OH-NH2 3.48Å; Y124-R128 VanDerWaalsContact OH-NH2 3.08Å
125	L	96.3	Very high	94	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-73.4	-38.9	173	175.5	61.8	0	0	0	111.4	A102 L104 N122 A123 D127 R128 I129 D285 F287	A102-L125 HydrophobicContact CB-CD1 3.87Å; A102-L125 HydrophobicContact CB-CD2 4.08Å; A102-L125 HydrophobicContact CB-CG 4.32Å; A102-L125 WeakPolarHBondContact O-CD2 3.43Å; L104-L125 HydrophobicContact CD1-CB 4.28Å; L104-L125 HydrophobicContact CD2-CB 4Å; L104-L125 HydrophobicContact CD2-CD1 3.62Å; L104-L125 HydrophobicContact CD2-CG 4.37Å; L104-L125 HydrophobicContact CG-CB 4.2Å; L104-L125 HydrophobicContact CG-CD1 4.14Å; N122-L125 HydrophobicContact CB-CB 4.15Å; N122-L125 VanDerWaalsContact ND2-CB 3.3Å; N122-L125 WeakPolarHBondContact ND2-CB 3.46Å; N122-L125 PolarHBondContact O-N 2.95Å; N122-L125 VanDerWaalsContact O-N 3.08Å; N122-L125 PolarHBondContact OD1-N 3.43Å; A123-L125 VanDerWaalsContact C-N 3.27Å; A123-L125 PolarHBondContact O-N 3.25Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 2.93Å; L125-R128 CarbonylContact O-C 3.33Å; L125-R128 WeakPolarHBondContact O-CA 3.26Å; L125-R128 WeakPolarHBondContact O-CB 3.28Å; L125-R128 PolarHBondContact O-N 3.19Å; L125-I129 HydrophobicContact CD1-CD1 4.36Å; L125-I129 HydrophobicContact CD1-CG1 4.46Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 HydrophobicContact CG-CG1 4.48Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.07Å; L125-D285 WeakPolarHBondContact CD2-O 3.44Å; L125-F287 HydrophobicContact CD2-CD2 4.34Å
126	S	96.3	Very high	94.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.9	-42.4	176	-140.9	0	0	0	0	112.3	N122 A123 R128 I129 V168 R171 F287	N122-S126 PolarHBondContact O-N 3.25Å; A123-S126 CarbonylContact O-C 3.48Å; A123-S126 WeakPolarHBondContact O-CA 3.29Å; A123-S126 WeakPolarHBondContact O-CB 3.42Å; A123-S126 PolarHBondContact O-N 3.09Å; S126-R128 PolarHBondContact O-N 3.49Å; S126-R128 VanDerWaalsContact O-N 3.1Å; S126-I129 PolarHBondContact O-N 2.75Å; S126-I129 VanDerWaalsContact O-O 3.13Å; S126-V168 VanDerWaalsContact OG-CG2 3.28Å; S126-V168 WeakPolarHBondContact OG-CG2 3.47Å; S126-R171 VanDerWaalsContact C-NH2 3.33Å; S126-R171 PolarHBondContact O-NH2 3.11Å; S126-R171 PolarHBondContact OG-NH2 3.34Å; S126-F287 VanDerWaalsContact CB-CZ 3.47Å; S126-F287 WeakPolarHBondContact OG-CE1 3.35Å; S126-F287 WeakPolarHBondContact OG-CZ 3.35Å
127	D	94.9	Very high	94.1	Very high	40 Å²	40	23.5 Å²	23.5	21%	0.214	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.1	176.6	-53	-32.2	0	0	0	112.5	L88 A123 L125 S167	L88-D127 HydrophobicContact CD2-CB 4.16Å; A123-D127 PolarHBondContact O-N 3.36Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 2.93Å; D127-S167 WeakPolarHBondContact OD1-CB 3.27Å; D127-S167 PolarHBondContact OD1-OG 3.11Å
128	R	94.8	Very high	94.3	Very high	80 Å²	80	19.7 Å²	19.7	30%	0.302	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	6.2	179.5	-63.7	163.7	175.8	61.8	5.4	113.2	E108 Y124 L125 S126	E108-R128 WeakPolarHBondContact OE1-CD 3.41Å; E108-R128 IonicContact OE1-NE 2.74Å; E108-R128 PolarHBondContact OE1-NE 2.95Å; Y124-R128 VanDerWaalsContact CE1-NE 3.3Å; Y124-R128 WeakPolarHBondContact O-CD 3.46Å; Y124-R128 PolarHBondContact O-NH1 3.01Å; Y124-R128 PolarHBondContact OH-NH2 3.48Å; Y124-R128 VanDerWaalsContact OH-NH2 3.08Å; L125-R128 CarbonylContact O-C 3.33Å; L125-R128 WeakPolarHBondContact O-CA 3.26Å; L125-R128 WeakPolarHBondContact O-CB 3.28Å; L125-R128 PolarHBondContact O-N 3.19Å; S126-R128 PolarHBondContact O-N 3.49Å; S126-R128 VanDerWaalsContact O-N 3.1Å
129	I	95.9	Very high	94.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-106.4	138.4	171.1	-69.1	171.2	0	0	0	107.9	R95 A102 L125 S126 R133 R171 F287	R95-I129 HydrophobicContact CB-CG1 4.05Å; A102-I129 HydrophobicContact CB-CD1 3.98Å; A102-I129 HydrophobicContact CB-CG1 4.37Å; L125-I129 HydrophobicContact CD1-CD1 4.36Å; L125-I129 HydrophobicContact CD1-CG1 4.46Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 HydrophobicContact CG-CG1 4.48Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.07Å; S126-I129 PolarHBondContact O-N 2.75Å; S126-I129 VanDerWaalsContact O-O 3.13Å; I129-R133 HydrophobicContact CG2-CB 4.29Å; I129-R133 HydrophobicContact CG2-CG 4Å; I129-R171 PolarHBondContact O-NH1 2.87Å; I129-F287 HydrophobicContact CD1-CB 3.42Å; I129-F287 VanDerWaalsContact CD1-CB 3.42Å; I129-F287 HydrophobicContact CD1-CD1 4.34Å; I129-F287 HydrophobicContact CD1-CD2 4.33Å; I129-F287 HydrophobicContact CD1-CG 3.79Å
130	S	95.7	Very high	94.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	10%	0.098	C	C	.	.			trans	-64	140.3	-177.5	-177.8	0	0	0	0	113.3	I89 E90 G91 D132 R133 R171	I89-S130 CarbonylContact O-C 3.58Å; I89-S130 WeakPolarHBondContact O-CA 3.4Å; I89-S130 PolarHBondContact O-OG 3.3Å; E90-S130 WeakPolarHBondContact CA-OG 3.49Å; G91-S130 PolarHBondContact N-OG 2.85Å; G91-S130 VanDerWaalsContact N-OG 3.16Å; G91-S130 WeakPolarHBondContact O-CB 3.11Å; G91-S130 PolarHBondContact O-OG 2.96Å; S130-D132 PolarHBondContact O-N 2.95Å; S130-D132 PolarHBondContact OG-N 3.23Å; S130-R133 WeakPolarHBondContact O-CB 3.43Å; S130-R133 PolarHBondContact O-N 2.78Å; S130-R171 PolarHBondContact O-NH1 2.88Å
131	L	95.7	Very high	94.6	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.7	171.9	-58.6	-179.5	0	0	0	111.7	S83 L88 I89 E90 S167 L170 R171 H174	S83-L131 WeakPolarHBondContact OG-CD1 3.23Å; L88-L131 HydrophobicContact CB-CD1 4.48Å; L88-L131 HydrophobicContact CD1-CD1 4.43Å; I89-L131 WeakPolarHBondContact O-CG 3.26Å; I89-L131 PolarHBondContact O-N 2.85Å; E90-L131 HydrophobicContact CG-CB 4.45Å; E90-L131 HydrophobicContact CG-CD1 4.2Å; L131-S167 WeakPolarHBondContact CD2-O 3.4Å; L131-L170 HydrophobicContact CD1-CB 4Å; L131-L170 HydrophobicContact CD1-CD1 4.36Å; L131-L170 HydrophobicContact CD2-CB 3.88Å; L131-R171 HydrophobicContact CD2-CB 4.19Å; L131-H174 HydrophobicContact CB-CB 4.3Å; L131-H174 WeakPolarHBondContact O-CB 3.47Å
132	D	94.3	Very high	94.5	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.043	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	31.1	176.7	-46.6	-77	0	0	0	112.6	E90 G91 F92 S130 H174 N178	E90-D132 WeakPolarHBondContact CA-OD2 3.32Å; E90-D132 WeakPolarHBondContact CB-OD2 3.43Å; G91-D132 PolarHBondContact N-OD2 2.97Å; F92-D132 HydrophobicContact CD1-CB 4.38Å; F92-D132 WeakPolarHBondContact CD1-O 3.38Å; F92-D132 HydrophobicContact CE1-CB 4.26Å; S130-D132 PolarHBondContact O-N 2.95Å; S130-D132 PolarHBondContact OG-N 3.23Å; D132-H174 IonicContact OD1-CE1 3.53Å; D132-H174 IonicContact OD1-CG 3.87Å; D132-H174 IonicContact OD1-ND1 3.79Å; D132-H174 PolarHBondContact OD1-ND1 3.22Å; D132-H174 IonicContact OD2-ND1 2.91Å; D132-N178 PolarHBondContact OD1-ND2 3.06Å
133	R	94.4	Very high	94.5	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.026	15%	0.153	C	C	.	.			trans	-63.2	143.8	175	70.5	146.6	175.7	-176.8	-0.5	110.8	G96 I129 S130 E254 F287	G96-R133 WeakPolarHBondContact O-CD 3.35Å; G96-R133 PolarHBondContact O-NH1 3.34Å; I129-R133 HydrophobicContact CG2-CB 4.29Å; I129-R133 HydrophobicContact CG2-CG 4Å; S130-R133 WeakPolarHBondContact O-CB 3.43Å; S130-R133 PolarHBondContact O-N 2.78Å; R133-E254 WeakPolarHBondContact CG-OE2 3.42Å; R133-E254 IonicContact CZ-OE1 3.63Å; R133-E254 IonicContact CZ-OE2 3.75Å; R133-E254 IonicContact NE-OE1 3.59Å; R133-E254 PolarHBondContact NE-OE1 3.2Å; R133-E254 IonicContact NE-OE2 2.83Å; R133-E254 PolarHBondContact NE-OE2 3.06Å; R133-E254 IonicContact NH2-OE1 2.67Å; R133-E254 PolarHBondContact NH2-OE1 3.46Å; R133-E254 IonicContact NH2-OE2 3.41Å; R133-F287 VanDerWaalsContact CZ-O 3.31Å; R133-F287 PolarHBondContact NH1-O 3.39Å; R133-F287 PolarHBondContact NH2-O 3.46Å
134	T	93.3	Very high	94.2	Very high	52 Å²	52	37 Å²	37	32%	0.319	18%	0.176	S	C	.	.			trans	-80	149.7	169.5	53.8	0	0	0	0	110.7	F92 G98 G99	F92-T134 HydrophobicContact CD1-CG2 4.12Å; G98-T134 CarbonylContact C-O 3.54Å; G98-T134 WeakPolarHBondContact CA-O 3.46Å; G98-T134 PolarHBondContact N-O 2.78Å; G98-T134 PolarHBondContact N-OG1 3.43Å; G99-T134 PolarHBondContact N-O 2.94Å
135	I	94.4	Very high	93.9	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.087	21%	0.21	C	C	.	.			trans	-124.7	158	174.6	64.5	168.9	0	0	0	110.2	E254 F255 T256 V289 A381	I135-E254 HydrophobicContact CD1-CB 4.03Å; I135-E254 HydrophobicContact CG2-CB 4.41Å; I135-E254 WeakPolarHBondContact CG2-OE2 3.13Å; I135-F255 WeakPolarHBondContact CD1-O 3.47Å; I135-T256 HydrophobicContact CD1-CG2 3.77Å; I135-T256 HydrophobicContact CG1-CG2 4.39Å; I135-V289 HydrophobicContact CB-CG2 4.29Å; I135-V289 HydrophobicContact CG2-CG2 3.98Å; I135-A381 HydrophobicContact CD1-CB 4.48Å
136	P	93.6	Very high	93.7	Very high	32 Å²	32	47.9 Å²	47.9	21%	0.208	23%	0.229	C	C	.	.			trans	-71.7	141.1	-177.2	29.1	-36.4	0	0	0	112.7	G98 H138 V289	G98-P136 WeakPolarHBondContact O-CD 3.31Å; P136-H138 VanDerWaalsContact CG-NE2 3.3Å; P136-H138 WeakPolarHBondContact CG-NE2 3.33Å; P136-H138 PolarHBondContact O-N 3.44Å; P136-V289 HydrophobicContact CG-CB 4.05Å; P136-V289 HydrophobicContact CG-CG1 3.95Å
137	D	93.1	Very high	93.5	Very high	39 Å²	39	53.3 Å²	53.3	21%	0.209	27%	0.267	C	S	.	.			trans	-80.9	95.7	170.2	178	9.3	0	0	0	110.3	R139 R144	D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 3.33Å; D137-R139 VanDerWaalsContact OD1-CB 3.24Å; D137-R139 WeakPolarHBondContact OD1-CB 3.5Å; D137-R139 VanDerWaalsContact OD1-CG 3.3Å; D137-R139 WeakPolarHBondContact OD1-CG 3.44Å; D137-R139 IonicContact OD1-CZ 2.96Å; D137-R139 PolarHBondContact OD1-N 3.4Å; D137-R139 IonicContact OD1-NE 2.91Å; D137-R139 PolarHBondContact OD1-NE 2.88Å; D137-R139 IonicContact OD1-NH2 3.54Å; D137-R139 IonicContact OD2-CZ 2.74Å; D137-R139 IonicContact OD2-NE 3.9Å; D137-R139 PolarHBondContact OD2-NE 2.88Å; D137-R139 IonicContact OD2-NH2 3.92Å; D137-R139 PolarHBondContact OD2-NH2 2.94Å; D137-R144 PolarHBondContact O-NH2 3.49Å; D137-R144 IonicContact OD2-CZ 2.71Å; D137-R144 IonicContact OD2-NE 2.8Å; D137-R144 PolarHBondContact OD2-NE 3.34Å; D137-R144 IonicContact OD2-NH2 3.38Å
138	H	94.1	Very high	93.4	Very high	44 Å²	44	54.1 Å²	54.1	20%	0.204	27%	0.267	C	S	.	.			trans	-85.2	8.5	178.2	-73.3	-36.5	0	0	0	115.2	P136 D280 R291	P136-H138 VanDerWaalsContact CG-NE2 3.3Å; P136-H138 WeakPolarHBondContact CG-NE2 3.33Å; P136-H138 PolarHBondContact O-N 3.44Å; H138-D280 IonicContact CD2-OD2 2.76Å; H138-R291 HydrophobicContact CB-CB 4.21Å; H138-R291 HydrophobicContact CB-CG 3.92Å; H138-R291 PolarHBondContact NE2-N 3.43Å
139	R	94.5	Very high	93.3	Very high	30 Å²	30	53.6 Å²	53.6	11%	0.113	27%	0.274	C	S	.	.	S	Bend	trans	-69.2	146.1	180	-64.3	172.3	-60.3	171.6	3.3	112.3	D137 C143 P257 S258 C377 R379	D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 3.33Å; D137-R139 VanDerWaalsContact OD1-CB 3.24Å; D137-R139 WeakPolarHBondContact OD1-CB 3.5Å; D137-R139 VanDerWaalsContact OD1-CG 3.3Å; D137-R139 WeakPolarHBondContact OD1-CG 3.44Å; D137-R139 IonicContact OD1-CZ 2.96Å; D137-R139 PolarHBondContact OD1-N 3.4Å; D137-R139 IonicContact OD1-NE 2.91Å; D137-R139 PolarHBondContact OD1-NE 2.88Å; D137-R139 IonicContact OD1-NH2 3.54Å; D137-R139 IonicContact OD2-CZ 2.74Å; D137-R139 IonicContact OD2-NE 3.9Å; D137-R139 PolarHBondContact OD2-NE 2.88Å; D137-R139 IonicContact OD2-NH2 3.92Å; D137-R139 PolarHBondContact OD2-NH2 2.94Å; R139-C143 HydrophobicContact CB-CB 4.07Å; R139-P257 PolarHBondContact NH1-O 2.96Å; R139-P257 PolarHBondContact NH2-O 2.83Å; R139-S258 PolarHBondContact NH1-O 2.87Å; R139-C377 WeakPolarHBondContact CD-O 3.43Å; R139-R379 HydrophobicContact CG-CB 4.49Å; R139-R379 HydrophobicContact CG-CG 3.8Å
140	P	93.2	Very high	93.2	Very high	24 Å²	24	64.4 Å²	64.4	16%	0.156	32%	0.315	C	S	.	.			trans	-51.2	143.4	171	-26.1	31.6	0	0	0	113.5	K142 C143 M320 P376	P140-K142 PolarHBondContact O-N 3.4Å; P140-C143 VanDerWaalsContact O-CB 3.28Å; P140-C143 WeakPolarHBondContact O-CB 3.47Å; P140-C143 PolarHBondContact O-N 2.99Å; P140-M320 WeakPolarHBondContact CG-O 3.39Å; P140-P376 WeakPolarHBondContact CD-O 3.42Å; P140-P376 HydrophobicContact CG-CB 3.96Å
141	N	91.9	Very high	93.1	Very high	121 Å²	121	69.7 Å²	69.7	65%	0.647	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.7	-176.8	-78.2	-37.7	0	0	0	115	R144	N141-R144 PolarHBondContact OD1-NH1 3.23Å
142	K	93.3	Very high	93.2	Very high	118 Å²	118	70.2 Å²	70.2	51%	0.513	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-41	173.9	-177.4	168.2	165.9	-169	0	111.9	P140 R144 K145 D319 S321	P140-K142 PolarHBondContact O-N 3.4Å; K142-R144 VanDerWaalsContact C-N 3.3Å; K142-R144 PolarHBondContact O-N 3.33Å; K142-K145 PolarHBondContact O-N 2.99Å; K142-D319 IonicContact NZ-OD1 3.8Å; K142-D319 IonicContact NZ-OD2 3.42Å; K142-D319 PolarHBondContact NZ-OD2 2.91Å; K142-S321 WeakPolarHBondContact CD-OG 3.46Å
143	C	94.1	Very high	93.4	Very high	4 Å²	4	70.3 Å²	70.3	3%	0.027	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-55.2	-42.9	178.2	-58.4	0	0	0	0	112.5	R139 P140 K145 V146 S321 C377	R139-C143 HydrophobicContact CB-CB 4.07Å; P140-C143 VanDerWaalsContact O-CB 3.28Å; P140-C143 WeakPolarHBondContact O-CB 3.47Å; P140-C143 PolarHBondContact O-N 2.99Å; C143-K145 PolarHBondContact O-N 3.04Å; C143-V146 PolarHBondContact O-N 3.38Å; C143-S321 VanDerWaalsContact SG-CB 3.57Å; C143-C377 HydrophobicContact CB-CB 3.6Å; C143-C377 WeakPolarHBondContact CB-SG 3.44Å; C143-C377 WeakPolarHBondContact SG-CA 3.47Å; C143-C377 WeakPolarHBondContact SG-CB 3.35Å; C143-C377 CovalentContact SG-SG 2.04Å; C143-C377 PolarHBondContact SG-SG 2.82Å
144	R	90.1	Very high	93.6	Very high	131 Å²	131	73.2 Å²	73.2	49%	0.494	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-62.5	-9.4	178.6	-64.5	-179.7	179.8	156.4	-2.9	114.7	D137 N141 K142	D137-R144 PolarHBondContact O-NH2 3.49Å; D137-R144 IonicContact OD2-CZ 2.71Å; D137-R144 IonicContact OD2-NE 2.8Å; D137-R144 PolarHBondContact OD2-NE 3.34Å; D137-R144 IonicContact OD2-NH2 3.38Å; N141-R144 PolarHBondContact OD1-NH1 3.23Å; K142-R144 VanDerWaalsContact C-N 3.3Å; K142-R144 PolarHBondContact O-N 3.33Å
145	K	89.1	Confident	93.9	Very high	187 Å²	187	70.7 Å²	70.7	81%	0.813	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-111.4	-2.7	178.3	-59.9	-178.8	-178.6	-178.9	0	113	K142 C143	K142-K145 PolarHBondContact O-N 2.99Å; C143-K145 PolarHBondContact O-N 3.04Å
146	V	90.7	Very high	94.1	Very high	66 Å²	66	69.9 Å²	69.9	40%	0.4	34%	0.341	S	S	.	.			trans	-77.6	134.5	177	-176.5	0	0	0	0	109.1	C143 Y148	C143-V146 PolarHBondContact O-N 3.38Å; V146-Y148 HydrophobicContact CB-CE1 4.48Å; V146-Y148 HydrophobicContact CB-CE2 4.09Å; V146-Y148 HydrophobicContact CG1-CD1 4.16Å; V146-Y148 HydrophobicContact CG1-CD2 4.45Å; V146-Y148 HydrophobicContact CG1-CE1 3.57Å; V146-Y148 HydrophobicContact CG1-CE2 3.9Å; V146-Y148 VanDerWaalsContact CG1-CZ 3.41Å
147	S	92.1	Very high	94.3	Very high	114 Å²	114	68.4 Å²	68.4	80%	0.797	33%	0.331	S	S	*	.			trans	-105.5	134.7	167.8	-171	0	0	0	0	108.6
148	Y	93.9	Very high	94.6	Very high	56 Å²	56	66.6 Å²	66.6	22%	0.22	32%	0.322	C	S	.	.			trans	-104.8	156.5	179.1	-58.3	-80.7	0	0	0	110.4	V146 E261 P262 A265	V146-Y148 HydrophobicContact CB-CE1 4.48Å; V146-Y148 HydrophobicContact CB-CE2 4.09Å; V146-Y148 HydrophobicContact CG1-CD1 4.16Å; V146-Y148 HydrophobicContact CG1-CD2 4.45Å; V146-Y148 HydrophobicContact CG1-CE1 3.57Å; V146-Y148 HydrophobicContact CG1-CE2 3.9Å; V146-Y148 VanDerWaalsContact CG1-CZ 3.41Å; Y148-E261 HydrophobicContact CD2-CB 3.56Å; Y148-E261 HydrophobicContact CE2-CB 4.26Å; Y148-E261 HydrophobicContact CG-CB 3.79Å; Y148-P262 HydrophobicContact CE1-CB 3.83Å; Y148-P262 HydrophobicContact CE2-CB 4.5Å; Y148-P262 HydrophobicContact CE2-CG 4.42Å; Y148-A265 HydrophobicContact CD1-CB 3.91Å
149	P	92.6	Very high	94.8	Very high	70 Å²	70	64.5 Å²	64.5	46%	0.455	31%	0.312	S	S	.	.			trans	-57	155.2	171.3	-21.8	33.2	0	0	0	111.8	D151 L152	P149-D151 WeakPolarHBondContact CB-OD1 3.32Å; P149-L152 HydrophobicContact CB-CD2 4.42Å; P149-L152 WeakPolarHBondContact O-CD1 3.33Å; P149-L152 WeakPolarHBondContact O-CG 3.34Å
150	R	92	Very high	94.9	Very high	229 Å²	229	63.8 Å²	63.8	86%	0.864	31%	0.311	S	S	*	.	S	Bend	trans	-88.6	-17.9	174.6	-70.1	-173.2	176.6	-134.1	0.2	113.5	L152	R150-L152 PolarHBondContact O-N 2.98Å
151	D	95.1	Very high	94.9	Very high	111 Å²	111	63 Å²	63	59%	0.594	31%	0.305	S	S	*	.			trans	-91.8	43.8	-177.6	66.8	-27.8	0	0	0	111.2	P149 K268	P149-D151 WeakPolarHBondContact CB-OD1 3.32Å; D151-K268 PolarHBondContact O-NZ 3.43Å; D151-K268 IonicContact OD1-NZ 2.75Å; D151-K268 PolarHBondContact OD1-NZ 3.02Å; D151-K268 IonicContact OD2-NZ 3.64Å; D151-K268 PolarHBondContact OD2-NZ 3.26Å
152	L	98.1	Very high	94.9	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-80.6	149.7	177.6	-66.3	176.3	0	0	0	111	P149 R150 L184 E261 L264 A265 K268	P149-L152 HydrophobicContact CB-CD2 4.42Å; P149-L152 WeakPolarHBondContact O-CD1 3.33Å; P149-L152 WeakPolarHBondContact O-CG 3.34Å; R150-L152 PolarHBondContact O-N 2.98Å; L152-L184 HydrophobicContact CB-CD2 3.76Å; L152-L184 HydrophobicContact CD1-CD1 4.37Å; L152-E261 HydrophobicContact CD1-CB 4.15Å; L152-L264 HydrophobicContact CB-CB 4.15Å; L152-L264 HydrophobicContact CD1-CB 4.22Å; L152-A265 HydrophobicContact CD2-CB 4.05Å; L152-K268 HydrophobicContact CD2-CD 4.16Å
153	P	98.2	Very high	94.9	Very high	10 Å²	10	54 Å²	54	7%	0.065	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64.3	151.5	178.1	28	-36.2	0	0	0	111.6	E244 V245 L264 K268	P153-E244 HydrophobicContact CB-CB 4.14Å; P153-E244 VanDerWaalsContact CB-CD 3.49Å; P153-E244 HydrophobicContact CB-CG 4.28Å; P153-E244 WeakPolarHBondContact CB-OE2 3.38Å; P153-V245 HydrophobicContact CB-CG2 4.03Å; P153-V245 HydrophobicContact CG-CG2 3.83Å; P153-L264 HydrophobicContact CG-CB 4.39Å; P153-L264 HydrophobicContact CG-CD2 4.22Å; P153-K268 HydrophobicContact CG-CB 4.5Å
154	Q	98.6	Very high	94.9	Very high	67 Å²	67	54 Å²	54	31%	0.313	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-74.5	154.2	175.3	-54.7	-159	-69	0	0	111.3	H183 L184 K186 A243 V245	Q154-H183 PolarHBondContact NE2-O 3.2Å; Q154-L184 CarbonylContact C-O 3.46Å; Q154-L184 WeakPolarHBondContact CA-O 3.48Å; Q154-L184 WeakPolarHBondContact CB-O 3.42Å; Q154-K186 HydrophobicContact CB-CB 4.17Å; Q154-A243 HydrophobicContact CB-CB 4.22Å; Q154-A243 WeakPolarHBondContact O-CB 3.48Å; Q154-V245 PolarHBondContact O-N 3.29Å; Q154-V245 VanDerWaalsContact O-N 3.17Å
155	I	98.8	Very high	95.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.7	179.5	-169.9	165.9	0	0	0	112.7	L157 T180 L184 K186 V245 W259 L264 V335	I155-L157 HydrophobicContact CD1-CD2 3.68Å; I155-L157 HydrophobicContact CG1-CD2 3.89Å; I155-L157 HydrophobicContact CG2-CD2 4.47Å; I155-T180 HydrophobicContact CG2-CG2 4.45Å; I155-L184 PolarHBondContact N-O 3.3Å; I155-K186 WeakPolarHBondContact O-CB 3.38Å; I155-K186 PolarHBondContact O-N 3.39Å; I155-V245 CarbonylContact C-O 3.57Å; I155-V245 VanDerWaalsContact CA-O 3.32Å; I155-V245 WeakPolarHBondContact CA-O 3.26Å; I155-V245 HydrophobicContact CB-CB 4.4Å; I155-V245 HydrophobicContact CD1-CG1 4.05Å; I155-V245 HydrophobicContact CG1-CB 4.35Å; I155-V245 HydrophobicContact CG1-CG1 4.07Å; I155-W259 HydrophobicContact CD1-CH2 4.07Å; I155-L264 HydrophobicContact CB-CD2 4.11Å; I155-L264 HydrophobicContact CD1-CD2 4.38Å; I155-L264 HydrophobicContact CG2-CD1 4.42Å; I155-V335 HydrophobicContact CD1-CG1 3.68Å
156	S	98.9	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.1	162.8	-53.7	0	0	0	0	108.3	E187 A243 V245 T246 G247	S156-E187 WeakPolarHBondContact OG-CG 3.1Å; S156-E187 PolarHBondContact OG-OE1 3.24Å; S156-A243 WeakPolarHBondContact OG-CB 3.44Å; S156-A243 PolarHBondContact OG-N 3.36Å; S156-A243 VanDerWaalsContact OG-N 3.13Å; S156-V245 PolarHBondContact N-O 2.88Å; S156-T246 WeakPolarHBondContact O-CA 3.35Å; S156-G247 PolarHBondContact O-N 3.28Å
157	L	98.8	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.6	175.6	-60	177.9	0	0	0	109.9	I155 F159 A176 L185 E187 I188 I189 G247 F249 W259	I155-L157 HydrophobicContact CD1-CD2 3.68Å; I155-L157 HydrophobicContact CG1-CD2 3.89Å; I155-L157 HydrophobicContact CG2-CD2 4.47Å; L157-F159 HydrophobicContact CB-CE2 3.98Å; L157-F159 HydrophobicContact CB-CZ 4.35Å; L157-A176 HydrophobicContact CD1-CB 3.78Å; L157-L185 HydrophobicContact CD1-CD1 3.61Å; L157-L185 HydrophobicContact CG-CD1 3.81Å; L157-E187 PolarHBondContact N-O 3.17Å; L157-I188 HydrophobicContact CB-CG1 4.32Å; L157-I188 HydrophobicContact CD1-CG1 4.47Å; L157-I188 CarbonylContact O-C 3.51Å; L157-I188 WeakPolarHBondContact O-CA 3.35Å; L157-I189 PolarHBondContact O-N 2.89Å; L157-G247 CarbonylContact C-O 3.35Å; L157-G247 WeakPolarHBondContact CA-O 3.34Å; L157-F249 HydrophobicContact CD2-CD2 4.35Å; L157-F249 HydrophobicContact CD2-CE2 3.87Å; L157-W259 HydrophobicContact CD1-CZ2 4.29Å; L157-W259 HydrophobicContact CD2-CH2 3.73Å; L157-W259 HydrophobicContact CD2-CZ2 3.85Å
158	I	98.8	Very high	95.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.2	-174.8	-61.1	162.3	0	0	0	108.1	I189 V191 A241 T246 G247 F248 F249	I158-I189 WeakPolarHBondContact CA-O 3.15Å; I158-I189 HydrophobicContact CG1-CB 4.26Å; I158-I189 HydrophobicContact CG1-CD1 4.03Å; I158-V191 HydrophobicContact CG2-CG2 4.21Å; I158-A241 HydrophobicContact CD1-CB 4.24Å; I158-T246 HydrophobicContact CD1-CG2 3.98Å; I158-G247 PolarHBondContact N-O 3.33Å; I158-F248 HydrophobicContact CB-CD1 3.99Å; I158-F248 HydrophobicContact CB-CE1 4.37Å; I158-F248 HydrophobicContact CD1-CD1 3.88Å; I158-F248 HydrophobicContact CD1-CE1 3.41Å; I158-F248 VanDerWaalsContact CD1-CE1 3.41Å; I158-F248 HydrophobicContact CD1-CZ 3.87Å; I158-F248 HydrophobicContact CG1-CE1 4.5Å; I158-F248 HydrophobicContact CG2-CD1 3.98Å; I158-F248 HydrophobicContact CG2-CE1 4.31Å; I158-F249 PolarHBondContact O-N 3.19Å
159	F	98.4	Very high	96	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.8	174.1	-58.9	-80.1	0	0	0	109.7	L157 A176 I188 I189 L190 V191 F249 A251 V253 F255	L157-F159 HydrophobicContact CB-CE2 3.98Å; L157-F159 HydrophobicContact CB-CZ 4.35Å; F159-A176 HydrophobicContact CE2-CB 4.47Å; F159-A176 HydrophobicContact CZ-CB 4.1Å; F159-I188 HydrophobicContact CD2-CG2 3.68Å; F159-I188 HydrophobicContact CE2-CG2 3.67Å; F159-I189 PolarHBondContact N-O 3.37Å; F159-L190 HydrophobicContact CB-CD2 3.91Å; F159-L190 HydrophobicContact CD2-CD2 3.82Å; F159-L190 HydrophobicContact CG-CD2 4.26Å; F159-V191 PolarHBondContact O-N 3.09Å; F159-F249 WeakPolarHBondContact CA-O 3.45Å; F159-F249 HydrophobicContact CD1-CB 3.61Å; F159-F249 HydrophobicContact CE1-CB 3.58Å; F159-F249 HydrophobicContact CE1-CD2 4.48Å; F159-F249 HydrophobicContact CE1-CG 4.14Å; F159-A251 HydrophobicContact CB-CB 4.2Å; F159-V253 HydrophobicContact CD1-CG2 4.4Å; F159-V253 HydrophobicContact CE1-CG2 3.77Å; F159-F255 AromaticContact CE1-CE2 3.69Å; F159-F255 HydrophobicContact CE1-CE2 3.69Å; F159-F255 AromaticContact CE1-CZ 3.79Å; F159-F255 HydrophobicContact CE1-CZ 3.79Å; F159-F255 AromaticContact CZ-CE2 3.55Å; F159-F255 HydrophobicContact CZ-CE2 3.55Å; F159-F255 AromaticContact CZ-CZ 3.73Å; F159-F255 HydrophobicContact CZ-CZ 3.73Å
160	I	95.3	Very high	96.2	Very high	15 Å²	15	25 Å²	25	8%	0.077	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	140	172.9	51.6	154.5	0	0	0	110.8	V191 L230 A233 R234 F249 A251	I160-V191 HydrophobicContact CG2-CB 4.16Å; I160-V191 HydrophobicContact CG2-CG2 4.48Å; I160-L230 HydrophobicContact CD1-CB 4.03Å; I160-L230 HydrophobicContact CD1-CD1 3.63Å; I160-L230 HydrophobicContact CD1-CG 3.48Å; I160-L230 VanDerWaalsContact CD1-CG 3.48Å; I160-A233 HydrophobicContact CB-CB 4.43Å; I160-A233 HydrophobicContact CG2-CB 3.8Å; I160-R234 HydrophobicContact CD1-CG 4.03Å; I160-R234 HydrophobicContact CG1-CG 4.33Å; I160-R234 HydrophobicContact CG2-CG 3.74Å; I160-F249 PolarHBondContact N-O 3.13Å; I160-A251 VanDerWaalsContact O-CB 3.32Å; I160-A251 WeakPolarHBondContact O-CB 3.39Å; I160-A251 PolarHBondContact O-N 2.9Å
161	F	94.5	Very high	96.5	Very high	8 Å²	8	14.2 Å²	14.2	4%	0.035	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153	175.3	70.8	-84.5	0	0	0	112.8	E164 I169 L190 V191 D192 D193 L203 L207 A251	F161-E164 HydrophobicContact CB-CB 4.01Å; F161-I169 HydrophobicContact CB-CD1 4.46Å; F161-I169 HydrophobicContact CD2-CD1 3.87Å; F161-I169 HydrophobicContact CE2-CD1 4.17Å; F161-I169 HydrophobicContact CG-CD1 4.04Å; F161-L190 HydrophobicContact CE1-CB 4.01Å; F161-V191 VanDerWaalsContact CD1-O 3.31Å; F161-V191 WeakPolarHBondContact CD1-O 3.3Å; F161-V191 PolarHBondContact N-O 2.97Å; F161-D192 HydrophobicContact CE1-CB 3.94Å; F161-D192 HydrophobicContact CE2-CB 3.88Å; F161-D192 HydrophobicContact CZ-CB 3.44Å; F161-D192 VanDerWaalsContact CZ-CB 3.44Å; F161-D193 PolarHBondContact O-N 3.42Å; F161-L203 HydrophobicContact CD2-CD1 4.03Å; F161-L203 HydrophobicContact CE2-CB 4.15Å; F161-L203 HydrophobicContact CE2-CD1 3.88Å; F161-L203 HydrophobicContact CE2-CG 4.49Å; F161-L207 HydrophobicContact CZ-CD2 3.96Å; F161-A251 HydrophobicContact CB-CB 3.77Å
162	V	92.4	Very high	96.6	Very high	18 Å²	18	9 Å²	9	11%	0.109	5%	0.047	C	C	.	.	S	Bend	trans	-148.4	125.3	164.3	64.6	0	0	0	0	108.4	E164 D193 R227 Y390	V162-E164 VanDerWaalsContact C-N 3.29Å; V162-E164 PolarHBondContact O-N 3.49Å; V162-D193 HydrophobicContact CB-CB 4.27Å; V162-D193 WeakPolarHBondContact CG2-O 3.4Å; V162-R227 VanDerWaalsContact CG2-CZ 3.48Å; V162-Y390 HydrophobicContact CG1-CD1 3.89Å; V162-Y390 HydrophobicContact CG1-CE1 4.18Å
163	N	92.5	Very high	96.7	Very high	30 Å²	30	8.3 Å²	8.3	16%	0.16	4%	0.043	C	C	.	.	S	Bend	trans	47.7	47.4	-178.4	-60.3	-9.5	0	0	0	113.6	Y119 S195 D196 D197 T200 R227	Y119-N163 VanDerWaalsContact CE1-O 3.29Å; Y119-N163 WeakPolarHBondContact CE1-O 3.29Å; N163-S195 PolarHBondContact N-OG 3.28Å; N163-S195 VanDerWaalsContact N-OG 3.14Å; N163-S195 WeakPolarHBondContact OD1-CA 3.4Å; N163-S195 VanDerWaalsContact OD1-CB 3.25Å; N163-S195 WeakPolarHBondContact OD1-CB 3.26Å; N163-D196 PolarHBondContact ND2-OD1 2.67Å; N163-D196 PolarHBondContact OD1-N 2.67Å; N163-D196 PolarHBondContact OD1-OD1 2.95Å; N163-D197 WeakPolarHBondContact CB-OD2 3.28Å; N163-T200 HydrophobicContact CB-CG2 4.18Å; N163-R227 PolarHBondContact ND2-NH2 3.35Å
164	E	94.1	Very high	96.6	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.019	4%	0.04	C	C	.	.			trans	-96.2	153.4	-178.7	-172.3	74	-82.6	0	0	111.4	Y121 F161 V162 L166 I169 L203 H252 R385	Y121-E164 WeakPolarHBondContact CE1-OE1 3.33Å; Y121-E164 PolarHBondContact OH-OE1 2.82Å; F161-E164 HydrophobicContact CB-CB 4.01Å; V162-E164 VanDerWaalsContact C-N 3.29Å; V162-E164 PolarHBondContact O-N 3.49Å; E164-L166 PolarHBondContact O-N 3.12Å; E164-I169 HydrophobicContact CB-CD1 4.06Å; E164-I169 HydrophobicContact CB-CG1 4.06Å; E164-I169 HydrophobicContact CG-CD1 4.32Å; E164-I169 HydrophobicContact CG-CG1 3.75Å; E164-L203 WeakPolarHBondContact O-CD1 3.48Å; E164-H252 IonicContact OE2-CE1 3.56Å; E164-H252 IonicContact OE2-CG 3.88Å; E164-H252 IonicContact OE2-ND1 2.71Å; E164-H252 PolarHBondContact OE2-ND1 3.27Å; E164-R385 IonicContact OE1-CZ 3.78Å; E164-R385 IonicContact OE1-NH1 3.48Å; E164-R385 PolarHBondContact OE1-NH1 2.9Å; E164-R385 IonicContact OE1-NH2 2.73Å; E164-R385 PolarHBondContact OE1-NH2 3.03Å; E164-R385 IonicContact OE2-CZ 3.77Å; E164-R385 IonicContact OE2-NH2 3.02Å; E164-R385 PolarHBondContact OE2-NH2 2.79Å
165	A	94.4	Very high	96.6	Very high	4 Å²	4	5 Å²	5	3%	0.033	3%	0.027	C	C	.	.			trans	-68.9	129.6	176.1	0	0	0	0	0	111.8	Y119 Y121 A123 S167 V168 I169	Y119-A165 HydrophobicContact CD2-CB 4.42Å; Y119-A165 HydrophobicContact CE1-CB 4.32Å; Y119-A165 HydrophobicContact CE2-CB 4.19Å; Y121-A165 HydrophobicContact CE2-CB 4.12Å; Y121-A165 VanDerWaalsContact OH-CB 3.26Å; Y121-A165 WeakPolarHBondContact OH-CB 3.47Å; Y121-A165 PolarHBondContact OH-N 2.91Å; A123-A165 HydrophobicContact CB-CB 3.85Å; A165-S167 VanDerWaalsContact C-N 3.3Å; A165-S167 PolarHBondContact O-N 2.85Å; A165-V168 HydrophobicContact CB-CB 4.41Å; A165-V168 HydrophobicContact CB-CG2 4.25Å; A165-V168 WeakPolarHBondContact O-CB 3.4Å; A165-V168 PolarHBondContact O-N 3.39Å; A165-I169 PolarHBondContact O-N 2.91Å
166	L	94.8	Very high	96.5	Very high	7 Å²	7	5 Å²	5	4%	0.037	3%	0.027	C	C	.	.	H	α-helix	trans	-55.5	-42.8	-176.9	177.3	64.2	0	0	0	112.8	L86 L88 E164 V168 I169 L170 Q202 L203 L207	L86-L166 HydrophobicContact CB-CD2 4.47Å; L86-L166 HydrophobicContact CD1-CD2 4.22Å; L86-L166 HydrophobicContact CD2-CD2 4.26Å; L88-L166 HydrophobicContact CD1-CD2 4.34Å; L88-L166 HydrophobicContact CD1-CG 4.32Å; E164-L166 PolarHBondContact O-N 3.12Å; L166-V168 PolarHBondContact O-N 2.92Å; L166-I169 PolarHBondContact O-N 2.6Å; L166-L170 HydrophobicContact CD1-CD1 3.87Å; L166-L170 HydrophobicContact CD1-CG 3.94Å; L166-L170 HydrophobicContact CD2-CD1 4.46Å; L166-L170 HydrophobicContact CG-CD1 3.94Å; L166-L170 HydrophobicContact CG-CG 4.34Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 3.1Å; L166-Q202 HydrophobicContact CD2-CB 4.12Å; L166-L203 HydrophobicContact CB-CD2 4.11Å; L166-L203 HydrophobicContact CD1-CD2 4.16Å; L166-L207 HydrophobicContact CD1-CB 4.02Å; L166-L207 HydrophobicContact CD1-CD1 3.78Å; L166-L207 HydrophobicContact CD1-CG 4.37Å
167	S	95.8	Very high	96.5	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.007	4%	0.038	C	C	.	.	H	α-helix	trans	-59.7	-30.2	178.4	55.7	0	0	0	0	113.2	D127 L131 A165 R171	D127-S167 WeakPolarHBondContact OD1-CB 3.27Å; D127-S167 PolarHBondContact OD1-OG 3.11Å; L131-S167 WeakPolarHBondContact CD2-O 3.4Å; A165-S167 VanDerWaalsContact C-N 3.3Å; A165-S167 PolarHBondContact O-N 2.85Å; S167-R171 VanDerWaalsContact O-CB 3.23Å; S167-R171 WeakPolarHBondContact O-CB 3.14Å; S167-R171 PolarHBondContact O-N 3.33Å; S167-R171 VanDerWaalsContact O-N 3.11Å; S167-R171 PolarHBondContact O-NH2 2.83Å
168	V	96.7	Very high	96.3	Very high	3 Å²	3	10 Å²	10	2%	0.018	6%	0.056	C	C	.	.	H	α-helix	trans	-82.4	-40.2	-179.7	172.7	0	0	0	0	111.7	Y121 S126 A165 L166 R171 S172 H252 F287 I383	Y121-V168 HydrophobicContact CE2-CG2 3.71Å; S126-V168 VanDerWaalsContact OG-CG2 3.28Å; S126-V168 WeakPolarHBondContact OG-CG2 3.47Å; A165-V168 HydrophobicContact CB-CB 4.41Å; A165-V168 HydrophobicContact CB-CG2 4.25Å; A165-V168 WeakPolarHBondContact O-CB 3.4Å; A165-V168 PolarHBondContact O-N 3.39Å; L166-V168 PolarHBondContact O-N 2.92Å; V168-R171 PolarHBondContact O-N 2.96Å; V168-S172 PolarHBondContact O-N 3.38Å; V168-S172 VanDerWaalsContact O-N 3.08Å; V168-S172 PolarHBondContact O-OG 3.05Å; V168-H252 HydrophobicContact CG1-CB 3.4Å; V168-H252 VanDerWaalsContact CG1-CB 3.4Å; V168-F287 HydrophobicContact CG2-CE1 4.39Å; V168-F287 HydrophobicContact CG2-CZ 4.36Å; V168-I383 HydrophobicContact CG1-CD1 3.66Å; V168-I383 HydrophobicContact CG2-CD1 4.04Å
169	I	97.3	Very high	96.2	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-59.1	-51.7	171	-56.4	171.3	0	0	0	109.6	F161 E164 A165 L166 R171 S172 V173 L190 L203 A251	F161-I169 HydrophobicContact CB-CD1 4.46Å; F161-I169 HydrophobicContact CD2-CD1 3.87Å; F161-I169 HydrophobicContact CE2-CD1 4.17Å; F161-I169 HydrophobicContact CG-CD1 4.04Å; E164-I169 HydrophobicContact CB-CD1 4.06Å; E164-I169 HydrophobicContact CB-CG1 4.06Å; E164-I169 HydrophobicContact CG-CD1 4.32Å; E164-I169 HydrophobicContact CG-CG1 3.75Å; A165-I169 PolarHBondContact O-N 2.91Å; L166-I169 PolarHBondContact O-N 2.6Å; I169-R171 PolarHBondContact O-N 2.68Å; I169-S172 VanDerWaalsContact O-CB 3.32Å; I169-S172 WeakPolarHBondContact O-CB 3.21Å; I169-S172 PolarHBondContact O-N 2.86Å; I169-S172 VanDerWaalsContact O-N 3.13Å; I169-V173 PolarHBondContact O-N 3.39Å; I169-L190 HydrophobicContact CG2-CD1 4.31Å; I169-L190 HydrophobicContact CG2-CD2 4.44Å; I169-L203 HydrophobicContact CD1-CD1 4.46Å; I169-L203 HydrophobicContact CD1-CD2 3.59Å; I169-A251 HydrophobicContact CG1-CB 4.3Å
170	L	97.4	Very high	96.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.7	-36.2	-176.7	-68.5	-179.2	0	0	0	112.2	L86 L88 L131 L166 S172 V173 H174 L207 Y210 V211	L86-L170 HydrophobicContact CD1-CD1 4.38Å; L88-L170 HydrophobicContact CD1-CD1 3.8Å; L131-L170 HydrophobicContact CD1-CB 4Å; L131-L170 HydrophobicContact CD1-CD1 4.36Å; L131-L170 HydrophobicContact CD2-CB 3.88Å; L166-L170 HydrophobicContact CD1-CD1 3.87Å; L166-L170 HydrophobicContact CD1-CG 3.94Å; L166-L170 HydrophobicContact CD2-CD1 4.46Å; L166-L170 HydrophobicContact CG-CD1 3.94Å; L166-L170 HydrophobicContact CG-CG 4.34Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 3.1Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.16Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-V173 VanDerWaalsContact O-N 3.16Å; L170-H174 WeakPolarHBondContact O-CB 3.24Å; L170-H174 PolarHBondContact O-CD2 2.91Å; L170-H174 PolarHBondContact O-N 2.93Å; L170-L207 HydrophobicContact CD2-CD1 3.74Å; L170-L207 HydrophobicContact CG-CD1 4.43Å; L170-Y210 HydrophobicContact CD1-CD1 3.94Å; L170-Y210 HydrophobicContact CD1-CD2 4.45Å; L170-Y210 HydrophobicContact CD1-CE1 4.12Å; L170-Y210 HydrophobicContact CD1-CG 4.14Å; L170-Y210 HydrophobicContact CD2-CD1 3.52Å; L170-Y210 HydrophobicContact CD2-CE1 3.87Å; L170-Y210 HydrophobicContact CD2-CG 4.35Å; L170-Y210 HydrophobicContact CG-CD1 4.38Å; L170-V211 HydrophobicContact CD2-CG1 4.24Å
171	R	97.7	Very high	96.2	Very high	3 Å²	3	13.2 Å²	13.2	1%	0.011	7%	0.074	C	C	.	.	H	α-helix	trans	-65	-33.6	173.6	-162.3	-171.7	-36.5	-67.7	-3.9	112.7	S126 I129 S130 L131 S167 V168 I169 S175 E254	S126-R171 VanDerWaalsContact C-NH2 3.33Å; S126-R171 PolarHBondContact O-NH2 3.11Å; S126-R171 PolarHBondContact OG-NH2 3.34Å; I129-R171 PolarHBondContact O-NH1 2.87Å; S130-R171 PolarHBondContact O-NH1 2.88Å; L131-R171 HydrophobicContact CD2-CB 4.19Å; S167-R171 VanDerWaalsContact O-CB 3.23Å; S167-R171 WeakPolarHBondContact O-CB 3.14Å; S167-R171 PolarHBondContact O-N 3.33Å; S167-R171 VanDerWaalsContact O-N 3.11Å; S167-R171 PolarHBondContact O-NH2 2.83Å; V168-R171 PolarHBondContact O-N 2.96Å; I169-R171 PolarHBondContact O-N 2.68Å; R171-S175 WeakPolarHBondContact O-CB 3.41Å; R171-S175 PolarHBondContact O-N 3.31Å; R171-S175 PolarHBondContact O-OG 2.83Å; R171-E254 VanDerWaalsContact CD-OE1 3.28Å; R171-E254 WeakPolarHBondContact CD-OE1 3.17Å; R171-E254 HydrophobicContact CG-CG 4.1Å
172	S	98.2	Very high	96.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-43	171.2	-52.4	0	0	0	0	111.1	V168 I169 L170 S175 A176 A251 V253	V168-S172 PolarHBondContact O-N 3.38Å; V168-S172 VanDerWaalsContact O-N 3.08Å; V168-S172 PolarHBondContact O-OG 3.05Å; I169-S172 VanDerWaalsContact O-CB 3.32Å; I169-S172 WeakPolarHBondContact O-CB 3.21Å; I169-S172 PolarHBondContact O-N 2.86Å; I169-S172 VanDerWaalsContact O-N 3.13Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.16Å; S172-S175 PolarHBondContact O-OG 3.1Å; S172-A176 WeakPolarHBondContact O-CB 3.31Å; S172-A176 PolarHBondContact O-N 2.9Å; S172-A251 PolarHBondContact OG-O 3.2Å; S172-A251 VanDerWaalsContact OG-O 3.13Å; S172-V253 VanDerWaalsContact CA-O 3.29Å; S172-V253 WeakPolarHBondContact CA-O 3.31Å; S172-V253 WeakPolarHBondContact CB-O 3.29Å; S172-V253 PolarHBondContact OG-N 2.79Å; S172-V253 VanDerWaalsContact OG-N 3.16Å; S172-V253 PolarHBondContact OG-O 2.88Å; S172-V253 VanDerWaalsContact OG-O 3.06Å
173	V	98.3	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-47.7	175.5	178.1	0	0	0	0	111.9	I169 L170 A176 V177 I188 L190 Y215 V219	I169-V173 PolarHBondContact O-N 3.39Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-V173 VanDerWaalsContact O-N 3.16Å; V173-A176 PolarHBondContact O-N 3.11Å; V173-V177 WeakPolarHBondContact O-CG2 3.41Å; V173-V177 PolarHBondContact O-N 2.86Å; V173-I188 HydrophobicContact CG1-CD1 4.07Å; V173-I188 HydrophobicContact CG2-CG2 4.39Å; V173-L190 HydrophobicContact CG2-CD1 4.29Å; V173-L190 HydrophobicContact CG2-CD2 3.86Å; V173-Y215 HydrophobicContact CG1-CD2 3.92Å; V173-Y215 HydrophobicContact CG1-CE2 3.63Å; V173-V219 HydrophobicContact CG1-CG2 3.88Å
174	H	97.6	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-51.5	179.7	-83.6	-122.1	0	0	0	111.2	E90 L131 D132 L170 A176 V177 N178 Y210 Y215	E90-H174 IonicContact OE2-CE1 2.74Å; L131-H174 HydrophobicContact CB-CB 4.3Å; L131-H174 WeakPolarHBondContact O-CB 3.47Å; D132-H174 IonicContact OD1-CE1 3.53Å; D132-H174 IonicContact OD1-CG 3.87Å; D132-H174 IonicContact OD1-ND1 3.79Å; D132-H174 PolarHBondContact OD1-ND1 3.22Å; D132-H174 IonicContact OD2-ND1 2.91Å; L170-H174 WeakPolarHBondContact O-CB 3.24Å; L170-H174 PolarHBondContact O-CD2 2.91Å; L170-H174 PolarHBondContact O-N 2.93Å; H174-A176 VanDerWaalsContact C-N 3.32Å; H174-A176 PolarHBondContact O-N 2.88Å; H174-V177 PolarHBondContact O-N 2.86Å; H174-N178 WeakPolarHBondContact O-CB 3.28Å; H174-N178 PolarHBondContact O-N 3.39Å; H174-N178 PolarHBondContact O-ND2 2.76Å; H174-Y210 PolarHBondContact CE1-OH 3.42Å; H174-Y210 AromaticContact NE2-CE1 3.71Å; H174-Y210 AromaticContact NE2-CZ 3.76Å; H174-Y210 PolarHBondContact NE2-OH 2.99Å; H174-Y215 PolarHBondContact CD2-OH 3.21Å; H174-Y215 VanDerWaalsContact CG-OH 3.31Å; H174-Y215 PolarHBondContact NE2-OH 2.75Å
175	S	97.6	Very high	97	Very high	7 Å²	7	20.5 Å²	20.5	5%	0.049	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-36.4	178.1	60.9	0	0	0	0	112.4	R171 S172 H179 E254 F255	R171-S175 WeakPolarHBondContact O-CB 3.41Å; R171-S175 PolarHBondContact O-N 3.31Å; R171-S175 PolarHBondContact O-OG 2.83Å; S172-S175 PolarHBondContact O-OG 3.1Å; S175-H179 VanDerWaalsContact O-CB 3.3Å; S175-H179 WeakPolarHBondContact O-CB 3.28Å; S175-H179 PolarHBondContact O-N 2.71Å; S175-E254 WeakPolarHBondContact OG-CA 3.46Å; S175-F255 PolarHBondContact OG-N 3.04Å
176	A	98	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-45.2	173.5	0	0	0	0	0	112.8	L157 F159 S172 V173 H174 T180 I188 F255	L157-A176 HydrophobicContact CD1-CB 3.78Å; F159-A176 HydrophobicContact CE2-CB 4.47Å; F159-A176 HydrophobicContact CZ-CB 4.1Å; S172-A176 WeakPolarHBondContact O-CB 3.31Å; S172-A176 PolarHBondContact O-N 2.9Å; V173-A176 PolarHBondContact O-N 3.11Å; H174-A176 VanDerWaalsContact C-N 3.32Å; H174-A176 PolarHBondContact O-N 2.88Å; A176-T180 WeakPolarHBondContact O-CB 3.37Å; A176-T180 PolarHBondContact O-N 2.86Å; A176-T180 VanDerWaalsContact O-N 3.14Å; A176-T180 PolarHBondContact O-OG1 2.94Å; A176-I188 HydrophobicContact CB-CD1 4.09Å; A176-F255 HydrophobicContact CB-CD2 3.78Å; A176-F255 HydrophobicContact CB-CE2 3.79Å
177	V	97.6	Very high	97.4	Very high	37 Å²	37	24.4 Å²	24.4	22%	0.224	14%	0.138	C	C	.	.	H	α-helix	trans	-70.9	-43	177.3	176.6	0	0	0	0	111.6	V173 H174 H179 L185 I188 Y215 L218	V173-V177 WeakPolarHBondContact O-CG2 3.41Å; V173-V177 PolarHBondContact O-N 2.86Å; H174-V177 PolarHBondContact O-N 2.86Å; V177-H179 VanDerWaalsContact C-N 3.27Å; V177-H179 PolarHBondContact O-N 2.83Å; V177-L185 HydrophobicContact CG2-CD2 4.1Å; V177-I188 HydrophobicContact CG2-CD1 3.65Å; V177-Y215 HydrophobicContact CB-CE1 4.16Å; V177-Y215 HydrophobicContact CG1-CD1 4.5Å; V177-Y215 HydrophobicContact CG1-CE1 3.95Å; V177-Y215 HydrophobicContact CG2-CD1 4.22Å; V177-Y215 HydrophobicContact CG2-CE1 3.91Å; V177-L218 HydrophobicContact CG2-CD2 3.99Å
178	N	95.8	Very high	97.5	Very high	69 Å²	69	24.4 Å²	24.4	37%	0.369	14%	0.138	S	C	.	.	H	α-helix	trans	-70	-20.7	-177	-68.3	-18.5	0	0	0	113.1	D132 H174	D132-N178 PolarHBondContact OD1-ND2 3.06Å; H174-N178 WeakPolarHBondContact O-CB 3.28Å; H174-N178 PolarHBondContact O-N 3.39Å; H174-N178 PolarHBondContact O-ND2 2.76Å
179	H	96.3	Very high	97.6	Very high	42 Å²	42	24.2 Å²	24.2	19%	0.194	14%	0.137	C	C	.	.	H	α-helix	trans	-124.4	6.7	-174	-60.3	-37.9	0	0	0	115.5	S175 V177 F255	S175-H179 VanDerWaalsContact O-CB 3.3Å; S175-H179 WeakPolarHBondContact O-CB 3.28Å; S175-H179 PolarHBondContact O-N 2.71Å; V177-H179 VanDerWaalsContact C-N 3.27Å; V177-H179 PolarHBondContact O-N 2.83Å; H179-F255 HydrophobicContact CB-CB 4.41Å; H179-F255 PolarHBondContact CD2-O 3.08Å
180	T	97.6	Very high	97.7	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.049	14%	0.137	C	C	.	.	S	Bend	trans	-113.5	125.1	170.4	-47.8	0	0	0	0	110	I155 A176 A182 L185 W259 A260	I155-T180 HydrophobicContact CG2-CG2 4.45Å; A176-T180 WeakPolarHBondContact O-CB 3.37Å; A176-T180 PolarHBondContact O-N 2.86Å; A176-T180 VanDerWaalsContact O-N 3.14Å; A176-T180 PolarHBondContact O-OG1 2.94Å; T180-A182 PolarHBondContact O-N 3.24Å; T180-L185 HydrophobicContact CG2-CB 3.87Å; T180-W259 PolarHBondContact OG1-NE1 3.37Å; T180-A260 HydrophobicContact CG2-CB 3.92Å
181	P	96.4	Very high	97.7	Very high	34 Å²	34	24.2 Å²	24.2	22%	0.221	14%	0.137	C	C	.	.			trans	-57.3	131.3	179.2	-26.1	34.5	0	0	0	112.6	H183 L184 L185 E261	P181-H183 PolarHBondContact O-N 2.03Å; P181-L184 HydrophobicContact CB-CD1 4.15Å; P181-L184 HydrophobicContact CB-CG 4.22Å; P181-L184 HydrophobicContact CG-CD1 4.07Å; P181-L184 WeakPolarHBondContact O-CA 3.46Å; P181-L184 WeakPolarHBondContact O-CB 3.41Å; P181-L184 PolarHBondContact O-N 2.87Å; P181-L185 PolarHBondContact O-N 3.35Å; P181-L185 VanDerWaalsContact O-N 3.12Å; P181-E261 HydrophobicContact CG-CG 4.36Å
182	A	96.1	Very high	97.7	Very high	96 Å²	96	24 Å²	24	79%	0.793	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.5	-171.2	0	0	0	0	0	116	T180	T180-A182 PolarHBondContact O-N 3.24Å
183	H	96.7	Very high	97.5	Very high	106 Å²	106	24.3 Å²	24.3	49%	0.491	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-18.6	171.3	61.9	-79.9	0	0	0	112.8	Q154 P181	Q154-H183 PolarHBondContact NE2-O 3.2Å; P181-H183 PolarHBondContact O-N 2.03Å
184	L	98.3	Very high	97.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-40.1	178.5	-54.3	-178.6	0	0	0	111.4	L152 Q154 I155 P181 K186 E261 L264	L152-L184 HydrophobicContact CB-CD2 3.76Å; L152-L184 HydrophobicContact CD1-CD1 4.37Å; Q154-L184 CarbonylContact C-O 3.46Å; Q154-L184 WeakPolarHBondContact CA-O 3.48Å; Q154-L184 WeakPolarHBondContact CB-O 3.42Å; I155-L184 PolarHBondContact N-O 3.3Å; P181-L184 HydrophobicContact CB-CD1 4.15Å; P181-L184 HydrophobicContact CB-CG 4.22Å; P181-L184 HydrophobicContact CG-CD1 4.07Å; P181-L184 WeakPolarHBondContact O-CA 3.46Å; P181-L184 WeakPolarHBondContact O-CB 3.41Å; P181-L184 PolarHBondContact O-N 2.87Å; L184-K186 PolarHBondContact O-N 3.36Å; L184-K186 VanDerWaalsContact O-N 3.16Å; L184-E261 HydrophobicContact CD1-CG 4.14Å; L184-L264 HydrophobicContact CB-CD1 4.1Å; L184-L264 HydrophobicContact CD1-CD1 3.97Å; L184-L264 HydrophobicContact CG-CD1 4.44Å
185	L	98.5	Very high	96.9	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	110.3	177	-174.8	61.4	0	0	0	110.6	L157 V177 T180 P181 I188 L218	L157-L185 HydrophobicContact CD1-CD1 3.61Å; L157-L185 HydrophobicContact CG-CD1 3.81Å; V177-L185 HydrophobicContact CG2-CD2 4.1Å; T180-L185 HydrophobicContact CG2-CB 3.87Å; P181-L185 PolarHBondContact O-N 3.35Å; P181-L185 VanDerWaalsContact O-N 3.12Å; L185-I188 HydrophobicContact CD1-CG1 4.1Å; L185-I188 HydrophobicContact CD2-CD1 4.18Å; L185-I188 HydrophobicContact CD2-CG1 4.33Å; L185-L218 HydrophobicContact CD2-CD1 4.32Å; L185-L218 HydrophobicContact CD2-CD2 4.3Å; L185-L218 HydrophobicContact CG-CD1 4.26Å
186	K	98.5	Very high	96.2	Very high	89 Å²	89	30.7 Å²	30.7	39%	0.387	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-50.7	177	-179.3	55.1	149.5	-153.1	0	111.9	Q154 I155 L184 A243	Q154-K186 HydrophobicContact CB-CB 4.17Å; I155-K186 WeakPolarHBondContact O-CB 3.38Å; I155-K186 PolarHBondContact O-N 3.39Å; L184-K186 PolarHBondContact O-N 3.36Å; L184-K186 VanDerWaalsContact O-N 3.16Å; K186-A243 HydrophobicContact CB-CB 3.71Å; K186-A243 HydrophobicContact CG-CB 3.92Å
187	E	98.5	Very high	94.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	159.5	-170.2	65.1	-160.5	146.8	0	0	110.2	S156 L157 I189 L218 K220 T242	S156-E187 WeakPolarHBondContact OG-CG 3.1Å; S156-E187 PolarHBondContact OG-OE1 3.24Å; L157-E187 PolarHBondContact N-O 3.17Å; E187-I189 HydrophobicContact CG-CD1 4.03Å; E187-I189 HydrophobicContact CG-CG1 4.21Å; E187-L218 CarbonylContact C-O 3.53Å; E187-L218 VanDerWaalsContact CA-O 3.28Å; E187-L218 WeakPolarHBondContact CA-O 3.1Å; E187-K220 WeakPolarHBondContact OE2-CE 3.25Å; E187-K220 IonicContact OE2-NZ 3.39Å; E187-K220 PolarHBondContact OE2-NZ 3.01Å; E187-T242 WeakPolarHBondContact OE1-CB 3.3Å; E187-T242 PolarHBondContact OE1-N 3.41Å; E187-T242 PolarHBondContact OE1-OG1 2.92Å; E187-T242 PolarHBondContact OE2-OG1 2.92Å
188	I	98.8	Very high	93.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.1	169	-65.4	176.6	0	0	0	107.7	L157 F159 V173 A176 V177 L185 L190 L218 V219 K220	L157-I188 HydrophobicContact CB-CG1 4.32Å; L157-I188 HydrophobicContact CD1-CG1 4.47Å; L157-I188 CarbonylContact O-C 3.51Å; L157-I188 WeakPolarHBondContact O-CA 3.35Å; F159-I188 HydrophobicContact CD2-CG2 3.68Å; F159-I188 HydrophobicContact CE2-CG2 3.67Å; V173-I188 HydrophobicContact CG1-CD1 4.07Å; V173-I188 HydrophobicContact CG2-CG2 4.39Å; A176-I188 HydrophobicContact CB-CD1 4.09Å; V177-I188 HydrophobicContact CG2-CD1 3.65Å; L185-I188 HydrophobicContact CD1-CG1 4.1Å; L185-I188 HydrophobicContact CD2-CD1 4.18Å; L185-I188 HydrophobicContact CD2-CG1 4.33Å; I188-L190 HydrophobicContact CG2-CD2 3.9Å; I188-L190 HydrophobicContact CG2-CG 4.44Å; I188-L218 PolarHBondContact N-O 3.16Å; I188-V219 HydrophobicContact CB-CG2 4.04Å; I188-V219 HydrophobicContact CD1-CG2 4.39Å; I188-V219 HydrophobicContact CG2-CG1 4.38Å; I188-V219 HydrophobicContact CG2-CG2 4.41Å; I188-V219 CarbonylContact O-C 3.16Å; I188-V219 WeakPolarHBondContact O-CA 3.43Å; I188-K220 PolarHBondContact O-N 2.91Å
189	I	98.8	Very high	91.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.8	-177.3	-63.6	153.4	0	0	0	107.6	L157 I158 F159 E187 V191 V222 V240 A241	L157-I189 PolarHBondContact O-N 2.89Å; I158-I189 WeakPolarHBondContact CA-O 3.15Å; I158-I189 HydrophobicContact CG1-CB 4.26Å; I158-I189 HydrophobicContact CG1-CD1 4.03Å; F159-I189 PolarHBondContact N-O 3.37Å; E187-I189 HydrophobicContact CG-CD1 4.03Å; E187-I189 HydrophobicContact CG-CG1 4.21Å; I189-V191 HydrophobicContact CG2-CG2 3.95Å; I189-V222 HydrophobicContact CG2-CG2 4.04Å; I189-V240 HydrophobicContact CD1-CG2 4.02Å; I189-V240 HydrophobicContact CG1-CG2 4.24Å; I189-V240 HydrophobicContact CG2-CG2 3.79Å; I189-A241 HydrophobicContact CD1-CB 3.8Å
190	L	98.6	Very high	90.2	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114	175.3	-53.7	-176.7	0	0	0	108.6	F159 F161 I169 V173 I188 L207 V211 V219 K220 I221 V222	F159-L190 HydrophobicContact CB-CD2 3.91Å; F159-L190 HydrophobicContact CD2-CD2 3.82Å; F159-L190 HydrophobicContact CG-CD2 4.26Å; F161-L190 HydrophobicContact CE1-CB 4.01Å; I169-L190 HydrophobicContact CG2-CD1 4.31Å; I169-L190 HydrophobicContact CG2-CD2 4.44Å; V173-L190 HydrophobicContact CG2-CD1 4.29Å; V173-L190 HydrophobicContact CG2-CD2 3.86Å; I188-L190 HydrophobicContact CG2-CD2 3.9Å; I188-L190 HydrophobicContact CG2-CG 4.44Å; L190-L207 HydrophobicContact CD1-CD1 4.3Å; L190-V211 HydrophobicContact CD1-CG1 4.26Å; L190-V219 HydrophobicContact CD1-CG1 3.86Å; L190-V219 HydrophobicContact CG-CG1 4.01Å; L190-K220 PolarHBondContact N-O 2.79Å; L190-I221 HydrophobicContact CB-CG1 4.39Å; L190-I221 HydrophobicContact CD1-CG1 4.46Å; L190-I221 CarbonylContact O-C 3.51Å; L190-I221 WeakPolarHBondContact O-CA 3.48Å; L190-V222 PolarHBondContact O-N 3.28Å
191	V	98.1	Very high	89.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.6	179.4	-168.7	0	0	0	0	110	I158 F159 I160 F161 I189 D193 V222 A233	I158-V191 HydrophobicContact CG2-CG2 4.21Å; F159-V191 PolarHBondContact O-N 3.09Å; I160-V191 HydrophobicContact CG2-CB 4.16Å; I160-V191 HydrophobicContact CG2-CG2 4.48Å; F161-V191 VanDerWaalsContact CD1-O 3.31Å; F161-V191 WeakPolarHBondContact CD1-O 3.3Å; F161-V191 PolarHBondContact N-O 2.97Å; I189-V191 HydrophobicContact CG2-CG2 3.95Å; V191-D193 PolarHBondContact O-N 2.9Å; V191-V222 WeakPolarHBondContact CA-O 3.41Å; V191-V222 HydrophobicContact CG1-CB 4.36Å; V191-V222 HydrophobicContact CG1-CG1 4.34Å; V191-V222 HydrophobicContact CG2-CB 4.35Å; V191-A233 HydrophobicContact CG1-CB 4.05Å
192	D	96.6	Very high	88.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	102.3	173.2	-176.6	7.9	0	0	0	108.9	F161 N194 S195 K204 V222 R223 N224	F161-D192 HydrophobicContact CE1-CB 3.94Å; F161-D192 HydrophobicContact CE2-CB 3.88Å; F161-D192 HydrophobicContact CZ-CB 3.44Å; F161-D192 VanDerWaalsContact CZ-CB 3.44Å; D192-N194 PolarHBondContact O-N 2.76Å; D192-S195 WeakPolarHBondContact OD1-CB 3.48Å; D192-S195 PolarHBondContact OD1-N 3.03Å; D192-S195 PolarHBondContact OD1-OG 2.8Å; D192-K204 IonicContact OD1-NZ 2.7Å; D192-K204 IonicContact OD2-NZ 3.36Å; D192-K204 PolarHBondContact OD2-NZ 2.88Å; D192-V222 PolarHBondContact N-O 2.71Å; D192-R223 HydrophobicContact CB-CB 4.3Å; D192-R223 HydrophobicContact CB-CG 3.99Å; D192-R223 IonicContact OD2-CZ 2.83Å; D192-R223 IonicContact OD2-NH1 3.36Å; D192-R223 PolarHBondContact OD2-NH1 2.85Å; D192-N224 PolarHBondContact O-N 2.79Å
193	D	94.3	Very high	88.6	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.037	21%	0.208	C	C	.	.			trans	-78.5	54.1	177.6	-172	40.7	0	0	0	111.7	F161 V162 V191 N224 E228 G229 A233	F161-D193 PolarHBondContact O-N 3.42Å; V162-D193 HydrophobicContact CB-CB 4.27Å; V162-D193 WeakPolarHBondContact CG2-O 3.4Å; V191-D193 PolarHBondContact O-N 2.9Å; D193-N224 PolarHBondContact OD1-ND2 3.47Å; D193-E228 PolarHBondContact OD1-N 2.85Å; D193-G229 PolarHBondContact OD1-N 2.99Å; D193-G229 WeakPolarHBondContact OD2-CA 3.33Å; D193-G229 PolarHBondContact OD2-N 2.86Å; D193-A233 HydrophobicContact CB-CB 4.01Å
194	N	93	Very high	88.3	Confident	48 Å²	48	35.3 Å²	35.3	26%	0.257	20%	0.199	S	C	.	.			trans	53.1	63.7	-175.3	-170.6	81.4	0	0	0	112.8	D192 D196 K226 R227	D192-N194 PolarHBondContact O-N 2.76Å; N194-D196 PolarHBondContact O-N 2.66Å; N194-K226 WeakPolarHBondContact CB-O 3.43Å; N194-R227 HydrophobicContact CB-CB 4.44Å
195	S	91.1	Very high	87.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.021	22%	0.22	C	C	.	.			trans	-59.3	131.1	166.4	-52.1	0	0	0	0	109.9	N163 D192 K204	N163-S195 PolarHBondContact N-OG 3.28Å; N163-S195 VanDerWaalsContact N-OG 3.14Å; N163-S195 WeakPolarHBondContact OD1-CA 3.4Å; N163-S195 VanDerWaalsContact OD1-CB 3.25Å; N163-S195 WeakPolarHBondContact OD1-CB 3.26Å; D192-S195 WeakPolarHBondContact OD1-CB 3.48Å; D192-S195 PolarHBondContact OD1-N 3.03Å; D192-S195 PolarHBondContact OD1-OG 2.8Å; S195-K204 WeakPolarHBondContact O-CE 3.48Å; S195-K204 PolarHBondContact O-NZ 3.16Å
196	D	83.4	Confident	87.5	Confident	90 Å²	90	39.3 Å²	39.3	48%	0.481	23%	0.234	S	C	.	.			trans	-144	-6.2	-157.6	52.9	17.8	0	0	0	114.7	N163 N194 R227	N163-D196 PolarHBondContact ND2-OD1 2.67Å; N163-D196 PolarHBondContact OD1-N 2.67Å; N163-D196 PolarHBondContact OD1-OD1 2.95Å; N194-D196 PolarHBondContact O-N 2.66Å; D196-R227 IonicContact OD1-NH2 3.38Å; D196-R227 PolarHBondContact OD1-NH2 3.22Å; D196-R227 IonicContact OD2-CZ 3.61Å; D196-R227 IonicContact OD2-NE 3.25Å; D196-R227 IonicContact OD2-NH2 3.48Å; D196-R227 PolarHBondContact OD2-NH2 3.36Å
197	D	69.6	Low	87.2	Confident	40 Å²	40	35 Å²	35	21%	0.214	22%	0.215	C	C	.	.			trans	-80.6	142.5	177.6	88.9	64	0	0	0	111.8	K118 N163 A199 T200	K118-D197 WeakPolarHBondContact CE-OD2 3.43Å; K118-D197 IonicContact NZ-OD1 2.76Å; K118-D197 PolarHBondContact NZ-OD1 3.46Å; K118-D197 IonicContact NZ-OD2 3.72Å; K118-D197 PolarHBondContact NZ-OD2 2.75Å; N163-D197 WeakPolarHBondContact CB-OD2 3.28Å; D197-A199 PolarHBondContact O-N 2.81Å; D197-A199 WeakPolarHBondContact OD1-CA 3.44Å; D197-A199 WeakPolarHBondContact OD1-CB 3.48Å; D197-A199 PolarHBondContact OD1-N 3.41Å; D197-T200 PolarHBondContact N-OG1 3.03Å; D197-T200 WeakPolarHBondContact O-CB 3.37Å; D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact O-OG1 2.72Å; D197-T200 PolarHBondContact OD1-N 3.46Å; D197-T200 VanDerWaalsContact OD2-CG2 3.26Å; D197-T200 WeakPolarHBondContact OD2-CG2 3.33Å
198	G	62.9	Low	86.9	Confident	74 Å²	74	38.7 Å²	38.7	76%	0.763	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-5	-174.2	0	0	0	0	0	115.7
199	A	61.2	Low	86.6	Confident	56 Å²	56	42.9 Å²	42.9	46%	0.463	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	13.8	170.2	0	0	0	0	0	112.5	D197	D197-A199 PolarHBondContact O-N 2.81Å; D197-A199 WeakPolarHBondContact OD1-CA 3.44Å; D197-A199 WeakPolarHBondContact OD1-CB 3.48Å; D197-A199 PolarHBondContact OD1-N 3.41Å
200	T	67	Low	86.4	Confident	4 Å²	4	43 Å²	43	3%	0.025	26%	0.255	C	S	.	.			trans	-114.5	16.3	177.2	64.6	0	0	0	0	114	N163 D197 Q202 L203	N163-T200 HydrophobicContact CB-CG2 4.18Å; D197-T200 PolarHBondContact N-OG1 3.03Å; D197-T200 WeakPolarHBondContact O-CB 3.37Å; D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact O-OG1 2.72Å; D197-T200 PolarHBondContact OD1-N 3.46Å; D197-T200 VanDerWaalsContact OD2-CG2 3.26Å; D197-T200 WeakPolarHBondContact OD2-CG2 3.33Å; T200-Q202 PolarHBondContact O-N 3.24Å; T200-Q202 VanDerWaalsContact O-N 3.12Å; T200-L203 HydrophobicContact CG2-CD1 3.93Å; T200-L203 HydrophobicContact CG2-CG 4.41Å; T200-L203 WeakPolarHBondContact O-CB 3.43Å; T200-L203 PolarHBondContact O-N 2.97Å
201	E	80.4	Confident	86.2	Confident	152 Å²	152	43.1 Å²	43.1	71%	0.71	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-50.6	-36.1	169.7	-61.6	-171.8	137.5	0	0	112	L203 K204 P206	E201-L203 PolarHBondContact O-N 3Å; E201-K204 WeakPolarHBondContact O-CB 3.44Å; E201-K204 PolarHBondContact O-N 3.16Å; E201-P206 WeakPolarHBondContact O-CD 3.49Å
202	Q	85.4	Confident	85.9	Confident	93 Å²	93	47.1 Å²	47.1	44%	0.435	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54.4	-29	173.2	-72.9	-171.8	-17.8	0	0	114.3	L166 T200 K204 L207	L166-Q202 HydrophobicContact CD2-CB 4.12Å; T200-Q202 PolarHBondContact O-N 3.24Å; T200-Q202 VanDerWaalsContact O-N 3.12Å; Q202-K204 VanDerWaalsContact C-N 3.29Å; Q202-L207 WeakPolarHBondContact O-CB 3.36Å; Q202-L207 PolarHBondContact O-N 2.68Å
203	L	90.1	Very high	85.7	Confident	2 Å²	2	52 Å²	52	1%	0.01	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-80.6	-9.1	177.7	-53	-172.2	0	0	0	113.2	F161 E164 L166 I169 T200 E201 R223	F161-L203 HydrophobicContact CD2-CD1 4.03Å; F161-L203 HydrophobicContact CE2-CB 4.15Å; F161-L203 HydrophobicContact CE2-CD1 3.88Å; F161-L203 HydrophobicContact CE2-CG 4.49Å; E164-L203 WeakPolarHBondContact O-CD1 3.48Å; L166-L203 HydrophobicContact CB-CD2 4.11Å; L166-L203 HydrophobicContact CD1-CD2 4.16Å; I169-L203 HydrophobicContact CD1-CD1 4.46Å; I169-L203 HydrophobicContact CD1-CD2 3.59Å; T200-L203 HydrophobicContact CG2-CD1 3.93Å; T200-L203 HydrophobicContact CG2-CG 4.41Å; T200-L203 WeakPolarHBondContact O-CB 3.43Å; T200-L203 PolarHBondContact O-N 2.97Å; E201-L203 PolarHBondContact O-N 3Å; L203-R223 PolarHBondContact O-NH1 2.91Å; L203-R223 PolarHBondContact O-NH2 3.25Å
204	K	90.4	Very high	85.7	Confident	67 Å²	67	53.7 Å²	53.7	29%	0.291	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-110.6	177.2	-52.3	-56.5	178	178	0	109.2	D192 S195 E201 Q202 E208 R223	D192-K204 IonicContact OD1-NZ 2.7Å; D192-K204 IonicContact OD2-NZ 3.36Å; D192-K204 PolarHBondContact OD2-NZ 2.88Å; S195-K204 WeakPolarHBondContact O-CE 3.48Å; S195-K204 PolarHBondContact O-NZ 3.16Å; E201-K204 WeakPolarHBondContact O-CB 3.44Å; E201-K204 PolarHBondContact O-N 3.16Å; Q202-K204 VanDerWaalsContact C-N 3.29Å; K204-E208 WeakPolarHBondContact O-CB 3.25Å; K204-E208 PolarHBondContact O-N 2.63Å; K204-R223 PolarHBondContact O-NH2 3.4Å
205	G	88.9	Confident	85.8	Confident	45 Å²	45	52.2 Å²	52.2	46%	0.464	30%	0.295	S	S	.	.	H	α-helix	trans	-54	-52.6	-178.8	0	0	0	0	0	114.2	L207 E208 D209	G205-L207 PolarHBondContact O-N 3.01Å; G205-E208 WeakPolarHBondContact O-CB 3.21Å; G205-E208 PolarHBondContact O-N 2.89Å; G205-E208 VanDerWaalsContact O-N 3.1Å; G205-D209 WeakPolarHBondContact O-CB 3.31Å; G205-D209 PolarHBondContact O-N 3.49Å
206	P	91	Very high	85.9	Confident	51 Å²	51	56.9 Å²	56.9	33%	0.331	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-39.3	-172.9	-26.3	37.3	0	0	0	114.8	L86 E201 Y210	L86-P206 HydrophobicContact CD2-CB 3.76Å; E201-P206 WeakPolarHBondContact O-CD 3.49Å; P206-Y210 WeakPolarHBondContact O-CB 3.42Å; P206-Y210 PolarHBondContact O-N 3.37Å
207	L	93.3	Very high	86.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-44.1	171.5	172.5	61.1	0	0	0	111.6	F161 L166 L170 L190 Q202 G205 Y210 V211 I221	F161-L207 HydrophobicContact CZ-CD2 3.96Å; L166-L207 HydrophobicContact CD1-CB 4.02Å; L166-L207 HydrophobicContact CD1-CD1 3.78Å; L166-L207 HydrophobicContact CD1-CG 4.37Å; L170-L207 HydrophobicContact CD2-CD1 3.74Å; L170-L207 HydrophobicContact CG-CD1 4.43Å; L190-L207 HydrophobicContact CD1-CD1 4.3Å; Q202-L207 WeakPolarHBondContact O-CB 3.36Å; Q202-L207 PolarHBondContact O-N 2.68Å; G205-L207 PolarHBondContact O-N 3.01Å; L207-Y210 PolarHBondContact O-N 3.2Å; L207-V211 HydrophobicContact CD1-CG1 3.96Å; L207-V211 WeakPolarHBondContact O-CG1 3.13Å; L207-V211 WeakPolarHBondContact O-CG2 3.45Å; L207-V211 PolarHBondContact O-N 2.98Å; L207-I221 HydrophobicContact CD2-CD1 4.28Å; L207-I221 HydrophobicContact CG-CD1 3.99Å
208	E	92.8	Very high	87.8	Confident	81 Å²	81	55.9 Å²	55.9	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-44.7	-179.4	-163.8	162.6	146.3	0	0	111.4	K204 G205 Y210 V211 N212 I221 R223	K204-E208 WeakPolarHBondContact O-CB 3.25Å; K204-E208 PolarHBondContact O-N 2.63Å; G205-E208 WeakPolarHBondContact O-CB 3.21Å; G205-E208 PolarHBondContact O-N 2.89Å; G205-E208 VanDerWaalsContact O-N 3.1Å; E208-Y210 VanDerWaalsContact C-N 3.32Å; E208-Y210 PolarHBondContact O-N 3.01Å; E208-V211 PolarHBondContact O-N 3.09Å; E208-N212 VanDerWaalsContact O-CB 3.23Å; E208-N212 WeakPolarHBondContact O-CB 3.21Å; E208-N212 PolarHBondContact O-N 3.48Å; E208-N212 PolarHBondContact O-ND2 3.39Å; E208-I221 HydrophobicContact CB-CD1 3.91Å; E208-I221 HydrophobicContact CG-CD1 4.08Å; E208-R223 IonicContact OE2-CZ 3.5Å; E208-R223 IonicContact OE2-NE 2.66Å; E208-R223 PolarHBondContact OE2-NE 2.84Å; E208-R223 IonicContact OE2-NH2 2.79Å; E208-R223 PolarHBondContact OE2-NH2 2.8Å
209	D	92.1	Very high	89.5	Confident	87 Å²	87	52.5 Å²	52.5	47%	0.465	30%	0.3	S	S	.	.	H	α-helix	trans	-60.8	-39.4	173.2	-121.9	12.2	0	0	0	112	G205 K213	G205-D209 WeakPolarHBondContact O-CB 3.31Å; G205-D209 PolarHBondContact O-N 3.49Å; D209-K213 VanDerWaalsContact CG-CE 3.49Å; D209-K213 WeakPolarHBondContact O-CB 3.44Å; D209-K213 WeakPolarHBondContact O-CD 3.16Å; D209-K213 WeakPolarHBondContact O-CE 3.16Å; D209-K213 WeakPolarHBondContact O-CG 3.44Å; D209-K213 PolarHBondContact O-N 3.46Å; D209-K213 VanDerWaalsContact OD1-CE 3.27Å; D209-K213 WeakPolarHBondContact OD1-CE 3.38Å; D209-K213 IonicContact OD1-NZ 3.96Å; D209-K213 PolarHBondContact OD1-NZ 3.01Å; D209-K213 IonicContact OD2-NZ 3.82Å; D209-K213 PolarHBondContact OD2-NZ 3.44Å
210	Y	93.6	Very high	91.2	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-55.5	177	-173	-88.2	0	0	0	111.4	L82 S83 L86 E90 L170 H174 P206 L207 E208 N212 K213 R214 Y215	L82-Y210 HydrophobicContact CB-CD2 3.65Å; L82-Y210 HydrophobicContact CB-CE2 3.48Å; L82-Y210 VanDerWaalsContact CB-CE2 3.48Å; S83-Y210 WeakPolarHBondContact OG-CE2 3.42Å; S83-Y210 PolarHBondContact OG-OH 2.8Å; L86-Y210 HydrophobicContact CD1-CD2 3.44Å; L86-Y210 VanDerWaalsContact CD1-CD2 3.44Å; L86-Y210 HydrophobicContact CD1-CE2 4.23Å; L86-Y210 HydrophobicContact CD1-CG 4.02Å; E90-Y210 PolarHBondContact OE1-OH 2.81Å; L170-Y210 HydrophobicContact CD1-CD1 3.94Å; L170-Y210 HydrophobicContact CD1-CD2 4.45Å; L170-Y210 HydrophobicContact CD1-CE1 4.12Å; L170-Y210 HydrophobicContact CD1-CG 4.14Å; L170-Y210 HydrophobicContact CD2-CD1 3.52Å; L170-Y210 HydrophobicContact CD2-CE1 3.87Å; L170-Y210 HydrophobicContact CD2-CG 4.35Å; L170-Y210 HydrophobicContact CG-CD1 4.38Å; H174-Y210 PolarHBondContact CE1-OH 3.42Å; H174-Y210 AromaticContact NE2-CE1 3.71Å; H174-Y210 AromaticContact NE2-CZ 3.76Å; H174-Y210 PolarHBondContact NE2-OH 2.99Å; P206-Y210 WeakPolarHBondContact O-CB 3.42Å; P206-Y210 PolarHBondContact O-N 3.37Å; L207-Y210 PolarHBondContact O-N 3.2Å; E208-Y210 VanDerWaalsContact C-N 3.32Å; E208-Y210 PolarHBondContact O-N 3.01Å; Y210-N212 PolarHBondContact O-N 2.85Å; Y210-K213 PolarHBondContact O-N 2.84Å; Y210-R214 HydrophobicContact CD1-CB 4.21Å; Y210-R214 HydrophobicContact CE1-CB 3.8Å; Y210-R214 HydrophobicContact CE1-CG 3.83Å; Y210-R214 VanDerWaalsContact O-CB 3.28Å; Y210-R214 WeakPolarHBondContact O-CB 3.49Å; Y210-R214 PolarHBondContact O-N 3.39Å; Y210-Y215 HydrophobicContact CE1-CE2 4.42Å
211	V	94.6	Very high	92.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-35.5	-173.6	-57.7	0	0	0	0	112.2	L170 L190 L207 E208 K213 Y215 V219 I221	L170-V211 HydrophobicContact CD2-CG1 4.24Å; L190-V211 HydrophobicContact CD1-CG1 4.26Å; L207-V211 HydrophobicContact CD1-CG1 3.96Å; L207-V211 WeakPolarHBondContact O-CG1 3.13Å; L207-V211 WeakPolarHBondContact O-CG2 3.45Å; L207-V211 PolarHBondContact O-N 2.98Å; E208-V211 PolarHBondContact O-N 3.09Å; V211-K213 VanDerWaalsContact C-N 3.29Å; V211-K213 PolarHBondContact O-N 2.94Å; V211-Y215 CarbonylContact O-C 3.53Å; V211-Y215 WeakPolarHBondContact O-CA 3.22Å; V211-Y215 PolarHBondContact O-N 3.39Å; V211-V219 HydrophobicContact CB-CB 3.95Å; V211-V219 HydrophobicContact CB-CG1 3.68Å; V211-V219 HydrophobicContact CG1-CG1 3.86Å; V211-V219 HydrophobicContact CG2-CB 4.41Å; V211-V219 HydrophobicContact CG2-CG1 3.94Å; V211-I221 HydrophobicContact CG2-CD1 3.99Å; V211-I221 HydrophobicContact CG2-CG1 4.2Å
212	N	93.1	Very high	93.4	Very high	84 Å²	84	49.8 Å²	49.8	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-33.3	175.2	-74.8	-31.2	0	0	0	112.5	E208 Y210	E208-N212 VanDerWaalsContact O-CB 3.23Å; E208-N212 WeakPolarHBondContact O-CB 3.21Å; E208-N212 PolarHBondContact O-N 3.48Å; E208-N212 PolarHBondContact O-ND2 3.39Å; Y210-N212 PolarHBondContact O-N 2.85Å
213	K	92.4	Very high	93.9	Very high	104 Å²	104	48.4 Å²	48.4	45%	0.452	27%	0.269	S	S	.	.	H	α-helix	trans	-87.1	-35.9	179.4	-65.1	168	-159.9	172.7	0	112.9	L82 D209 Y210 V211	L82-K213 HydrophobicContact CD1-CB 3.71Å; L82-K213 HydrophobicContact CD2-CB 4.09Å; L82-K213 HydrophobicContact CD2-CD 3.78Å; D209-K213 VanDerWaalsContact CG-CE 3.49Å; D209-K213 WeakPolarHBondContact O-CB 3.44Å; D209-K213 WeakPolarHBondContact O-CD 3.16Å; D209-K213 WeakPolarHBondContact O-CE 3.16Å; D209-K213 WeakPolarHBondContact O-CG 3.44Å; D209-K213 PolarHBondContact O-N 3.46Å; D209-K213 VanDerWaalsContact OD1-CE 3.27Å; D209-K213 WeakPolarHBondContact OD1-CE 3.38Å; D209-K213 IonicContact OD1-NZ 3.96Å; D209-K213 PolarHBondContact OD1-NZ 3.01Å; D209-K213 IonicContact OD2-NZ 3.82Å; D209-K213 PolarHBondContact OD2-NZ 3.44Å; Y210-K213 PolarHBondContact O-N 2.84Å; V211-K213 VanDerWaalsContact C-N 3.29Å; V211-K213 PolarHBondContact O-N 2.94Å
214	R	93	Very high	94.2	Very high	42 Å²	42	49.1 Å²	49.1	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-84.5	-33.9	-177.9	-166.4	68.7	170.4	84.4	-6.9	113.4	L82 E90 Y210	L82-R214 HydrophobicContact CD1-CB 4.17Å; E90-R214 IonicContact OE1-NE 3.88Å; E90-R214 IonicContact OE2-CZ 3.46Å; E90-R214 VanDerWaalsContact OE2-CZ 3.22Å; E90-R214 IonicContact OE2-NE 2.66Å; E90-R214 PolarHBondContact OE2-NE 3.47Å; E90-R214 IonicContact OE2-NH2 3.98Å; E90-R214 PolarHBondContact OE2-NH2 2.93Å; Y210-R214 HydrophobicContact CD1-CB 4.21Å; Y210-R214 HydrophobicContact CE1-CB 3.8Å; Y210-R214 HydrophobicContact CE1-CG 3.83Å; Y210-R214 VanDerWaalsContact O-CB 3.28Å; Y210-R214 WeakPolarHBondContact O-CB 3.49Å; Y210-R214 PolarHBondContact O-N 3.39Å
215	Y	94.9	Very high	94.3	Very high	16 Å²	16	54.6 Å²	54.6	6%	0.063	30%	0.3	C	S	.	.	S	Bend	trans	-138.2	53.4	-171.4	-57.2	-65	0	0	0	112.9	V173 H174 V177 Y210 V211 G217 L218 V219	V173-Y215 HydrophobicContact CG1-CD2 3.92Å; V173-Y215 HydrophobicContact CG1-CE2 3.63Å; H174-Y215 PolarHBondContact CD2-OH 3.21Å; H174-Y215 VanDerWaalsContact CG-OH 3.31Å; H174-Y215 PolarHBondContact NE2-OH 2.75Å; V177-Y215 HydrophobicContact CB-CE1 4.16Å; V177-Y215 HydrophobicContact CG1-CD1 4.5Å; V177-Y215 HydrophobicContact CG1-CE1 3.95Å; V177-Y215 HydrophobicContact CG2-CD1 4.22Å; V177-Y215 HydrophobicContact CG2-CE1 3.91Å; Y210-Y215 HydrophobicContact CE1-CE2 4.42Å; V211-Y215 CarbonylContact O-C 3.53Å; V211-Y215 WeakPolarHBondContact O-CA 3.22Å; V211-Y215 PolarHBondContact O-N 3.39Å; Y215-G217 PolarHBondContact O-N 2.98Å; Y215-L218 HydrophobicContact CD1-CD2 4.41Å; Y215-L218 PolarHBondContact O-N 2.87Å; Y215-V219 VanDerWaalsContact CB-CG2 3.49Å; Y215-V219 HydrophobicContact CD2-CG2 3.87Å; Y215-V219 HydrophobicContact CG-CG2 3.87Å; Y215-V219 PolarHBondContact O-N 3.14Å
216	P	94.6	Very high	94.4	Very high	101 Å²	101	58.2 Å²	58.2	66%	0.656	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	120.4	-171.2	22.6	-34.7	0	0	0	112.6	L218	P216-L218 PolarHBondContact O-N 3.3Å; P216-L218 VanDerWaalsContact O-N 3.15Å
217	G	93.6	Very high	94.4	Very high	64 Å²	64	60.6 Å²	60.6	66%	0.66	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-14.8	179.7	0	0	0	0	0	115.9	Y215	Y215-G217 PolarHBondContact O-N 2.98Å
218	L	97.9	Very high	94.2	Very high	45 Å²	45	63.2 Å²	63.2	24%	0.236	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-42.9	177.8	-179.4	69.3	0	0	0	111.8	V177 L185 E187 I188 Y215 P216	V177-L218 HydrophobicContact CG2-CD2 3.99Å; L185-L218 HydrophobicContact CD2-CD1 4.32Å; L185-L218 HydrophobicContact CD2-CD2 4.3Å; L185-L218 HydrophobicContact CG-CD1 4.26Å; E187-L218 CarbonylContact C-O 3.53Å; E187-L218 VanDerWaalsContact CA-O 3.28Å; E187-L218 WeakPolarHBondContact CA-O 3.1Å; I188-L218 PolarHBondContact N-O 3.16Å; Y215-L218 HydrophobicContact CD1-CD2 4.41Å; Y215-L218 PolarHBondContact O-N 2.87Å; P216-L218 PolarHBondContact O-N 3.3Å; P216-L218 VanDerWaalsContact O-N 3.15Å
219	V	98.3	Very high	94	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135	177.4	-179	0	0	0	0	109.7	V173 I188 L190 V211 Y215	V173-V219 HydrophobicContact CG1-CG2 3.88Å; I188-V219 HydrophobicContact CB-CG2 4.04Å; I188-V219 HydrophobicContact CD1-CG2 4.39Å; I188-V219 HydrophobicContact CG2-CG1 4.38Å; I188-V219 HydrophobicContact CG2-CG2 4.41Å; I188-V219 CarbonylContact O-C 3.16Å; I188-V219 WeakPolarHBondContact O-CA 3.43Å; L190-V219 HydrophobicContact CD1-CG1 3.86Å; L190-V219 HydrophobicContact CG-CG1 4.01Å; V211-V219 HydrophobicContact CB-CB 3.95Å; V211-V219 HydrophobicContact CB-CG1 3.68Å; V211-V219 HydrophobicContact CG1-CG1 3.86Å; V211-V219 HydrophobicContact CG2-CB 4.41Å; V211-V219 HydrophobicContact CG2-CG1 3.94Å; Y215-V219 VanDerWaalsContact CB-CG2 3.49Å; Y215-V219 HydrophobicContact CD2-CG2 3.87Å; Y215-V219 HydrophobicContact CG-CG2 3.87Å; Y215-V219 PolarHBondContact O-N 3.14Å
220	K	97.1	Very high	93.9	Very high	84 Å²	84	57 Å²	57	37%	0.365	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.8	179.2	-62.4	174	-179.5	174.2	0	109.4	E187 I188 L190	E187-K220 WeakPolarHBondContact OE2-CE 3.25Å; E187-K220 IonicContact OE2-NZ 3.39Å; E187-K220 PolarHBondContact OE2-NZ 3.01Å; I188-K220 PolarHBondContact O-N 2.91Å; L190-K220 PolarHBondContact N-O 2.79Å
221	I	97.6	Very high	93.9	Very high	40 Å²	40	57 Å²	57	21%	0.205	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.8	173.2	-52.5	-176.3	0	0	0	109.4	L190 L207 E208 V211 R223	L190-I221 HydrophobicContact CB-CG1 4.39Å; L190-I221 HydrophobicContact CD1-CG1 4.46Å; L190-I221 CarbonylContact O-C 3.51Å; L190-I221 WeakPolarHBondContact O-CA 3.48Å; L207-I221 HydrophobicContact CD2-CD1 4.28Å; L207-I221 HydrophobicContact CG-CD1 3.99Å; E208-I221 HydrophobicContact CB-CD1 3.91Å; E208-I221 HydrophobicContact CG-CD1 4.08Å; V211-I221 HydrophobicContact CG2-CD1 3.99Å; V211-I221 HydrophobicContact CG2-CG1 4.2Å; I221-R223 HydrophobicContact CG2-CG 3.88Å
222	V	97.3	Very high	93.9	Very high	31 Å²	31	59.6 Å²	59.6	19%	0.188	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.5	168	178.8	0	0	0	0	107.2	I189 L190 V191 D192 E236 V240	I189-V222 HydrophobicContact CG2-CG2 4.04Å; L190-V222 PolarHBondContact O-N 3.28Å; V191-V222 WeakPolarHBondContact CA-O 3.41Å; V191-V222 HydrophobicContact CG1-CB 4.36Å; V191-V222 HydrophobicContact CG1-CG1 4.34Å; V191-V222 HydrophobicContact CG2-CB 4.35Å; D192-V222 PolarHBondContact N-O 2.71Å; V222-E236 HydrophobicContact CG1-CB 4.46Å; V222-V240 HydrophobicContact CG2-CG1 4.24Å; V222-V240 HydrophobicContact CG2-CG2 3.74Å
223	R	96	Very high	94	Very high	63 Å²	63	55.6 Å²	55.6	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.2	179.1	-52.3	-168.5	-174.4	-91.4	5.8	110.8	D192 L203 K204 E208 I221	D192-R223 HydrophobicContact CB-CB 4.3Å; D192-R223 HydrophobicContact CB-CG 3.99Å; D192-R223 IonicContact OD2-CZ 2.83Å; D192-R223 IonicContact OD2-NH1 3.36Å; D192-R223 PolarHBondContact OD2-NH1 2.85Å; L203-R223 PolarHBondContact O-NH1 2.91Å; L203-R223 PolarHBondContact O-NH2 3.25Å; K204-R223 PolarHBondContact O-NH2 3.4Å; E208-R223 IonicContact OE2-CZ 3.5Å; E208-R223 IonicContact OE2-NE 2.66Å; E208-R223 PolarHBondContact OE2-NE 2.84Å; E208-R223 IonicContact OE2-NH2 2.79Å; E208-R223 PolarHBondContact OE2-NH2 2.8Å; I221-R223 HydrophobicContact CG2-CG 3.88Å
224	N	94.9	Very high	94.1	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.091	26%	0.257	C	S	.	.			trans	-71.1	142.8	174.6	-65.5	-10.4	0	0	0	109.8	D192 D193 K226 E228	D192-N224 PolarHBondContact O-N 2.79Å; D193-N224 PolarHBondContact OD1-ND2 3.47Å; N224-K226 VanDerWaalsContact CB-O 3.26Å; N224-K226 WeakPolarHBondContact CB-O 3.37Å; N224-K226 PolarHBondContact O-N 3.15Å; N224-E228 HydrophobicContact CB-CG 4.4Å
225	Q	92.6	Very high	94.3	Very high	182 Å²	182	49.7 Å²	49.7	85%	0.85	25%	0.253	S	S	*	.	S	Bend	trans	-78.7	-7.8	-178.5	-60.2	-61.6	-57.4	0	0	113.7
226	K	92.1	Very high	94.4	Very high	122 Å²	122	51.6 Å²	51.6	53%	0.53	26%	0.263	S	S	.	.	S	Bend	trans	-156.9	167.1	174.6	63.9	178.3	-176.5	171.6	0	107.3	N194 N224 E228	N194-K226 WeakPolarHBondContact CB-O 3.43Å; N224-K226 VanDerWaalsContact CB-O 3.26Å; N224-K226 WeakPolarHBondContact CB-O 3.37Å; N224-K226 PolarHBondContact O-N 3.15Å; K226-E228 WeakPolarHBondContact CE-OE1 3.12Å; K226-E228 WeakPolarHBondContact CE-OE2 2.8Å; K226-E228 HydrophobicContact CG-CG 4.26Å; K226-E228 IonicContact NZ-OE1 2.7Å; K226-E228 PolarHBondContact NZ-OE1 3.31Å; K226-E228 IonicContact NZ-OE2 3.37Å; K226-E228 PolarHBondContact NZ-OE2 3.32Å; K226-E228 PolarHBondContact O-N 3.27Å
227	R	90	Very high	94.6	Very high	101 Å²	101	46.8 Å²	46.8	38%	0.381	23%	0.232	S	C	.	.			trans	-73.3	112	174.3	-168.6	179.5	-64.6	-139.4	-0.9	109.7	V162 N163 N194 D196	V162-R227 VanDerWaalsContact CG2-CZ 3.48Å; N163-R227 PolarHBondContact ND2-NH2 3.35Å; N194-R227 HydrophobicContact CB-CB 4.44Å; D196-R227 IonicContact OD1-NH2 3.38Å; D196-R227 PolarHBondContact OD1-NH2 3.22Å; D196-R227 IonicContact OD2-CZ 3.61Å; D196-R227 IonicContact OD2-NE 3.25Å; D196-R227 IonicContact OD2-NH2 3.48Å; D196-R227 PolarHBondContact OD2-NH2 3.36Å
228	E	89.8	Confident	94.8	Very high	54 Å²	54	45.8 Å²	45.8	25%	0.252	21%	0.208	S	C	.	.			trans	-98.7	-23.1	-176.9	-66.8	-79	-161.7	0	0	112.4	D193 N224 K226 R232	D193-E228 PolarHBondContact OD1-N 2.85Å; N224-E228 HydrophobicContact CB-CG 4.4Å; K226-E228 WeakPolarHBondContact CE-OE1 3.12Å; K226-E228 WeakPolarHBondContact CE-OE2 2.8Å; K226-E228 HydrophobicContact CG-CG 4.26Å; K226-E228 IonicContact NZ-OE1 2.7Å; K226-E228 PolarHBondContact NZ-OE1 3.31Å; K226-E228 IonicContact NZ-OE2 3.37Å; K226-E228 PolarHBondContact NZ-OE2 3.32Å; K226-E228 PolarHBondContact O-N 3.27Å; E228-R232 HydrophobicContact CB-CB 3.62Å; E228-R232 HydrophobicContact CB-CG 4.43Å; E228-R232 WeakPolarHBondContact O-CD 3.27Å; E228-R232 PolarHBondContact O-NH1 2.86Å
229	G	89.1	Confident	94.8	Very high	10 Å²	10	49 Å²	49	10%	0.103	22%	0.22	C	C	.	.			trans	96.2	158.6	-177.9	0	0	0	0	0	113.6	D193 I231 R232 A233	D193-G229 PolarHBondContact OD1-N 2.99Å; D193-G229 WeakPolarHBondContact OD2-CA 3.33Å; D193-G229 PolarHBondContact OD2-N 2.86Å; G229-I231 PolarHBondContact O-N 2.97Å; G229-R232 PolarHBondContact O-N 3.47Å; G229-A233 PolarHBondContact O-N 3.33Å
230	L	89.9	Confident	94.8	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-43.4	-43.4	-176.2	169.2	142.6	0	0	0	113.5	I160 R234 V353 Y354 E357	I160-L230 HydrophobicContact CD1-CB 4.03Å; I160-L230 HydrophobicContact CD1-CD1 3.63Å; I160-L230 HydrophobicContact CD1-CG 3.48Å; I160-L230 VanDerWaalsContact CD1-CG 3.48Å; L230-R234 WeakPolarHBondContact O-CG 3.46Å; L230-R234 PolarHBondContact O-N 3.43Å; L230-R234 VanDerWaalsContact O-N 3.08Å; L230-V353 PolarHBondContact N-O 2.8Å; L230-Y354 HydrophobicContact CD1-CD2 4.22Å; L230-E357 HydrophobicContact CD2-CG 3.87Å
231	I	92.4	Very high	94.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-46.6	-175.4	-68.1	170.4	0	0	0	111.6	G229 I235 L347 D348 M351 E357	G229-I231 PolarHBondContact O-N 2.97Å; I231-I235 WeakPolarHBondContact O-CG1 3.33Å; I231-I235 PolarHBondContact O-N 2.86Å; I231-L347 HydrophobicContact CG1-CD1 4.5Å; I231-L347 HydrophobicContact CG2-CB 3.7Å; I231-L347 HydrophobicContact CG2-CD1 4.41Å; I231-D348 WeakPolarHBondContact CG2-O 3.14Å; I231-M351 HydrophobicContact CD1-CB 3.43Å; I231-M351 VanDerWaalsContact CD1-CB 3.43Å; I231-M351 HydrophobicContact CD1-CG 4.37Å; I231-M351 HydrophobicContact CD1-SD 4.06Å; I231-E357 HydrophobicContact CD1-CB 3.67Å; I231-E357 HydrophobicContact CD1-CG 4.16Å; I231-E357 HydrophobicContact CG1-CB 3.77Å; I231-E357 HydrophobicContact CG1-CG 3.83Å
232	R	94.5	Very high	94.9	Very high	57 Å²	57	49.9 Å²	49.9	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-79.3	-37.5	-176.6	-61	-178.5	-166	118.6	-2.1	110.4	E228 G229 R234 I235 E236 S349 M351 D352	E228-R232 HydrophobicContact CB-CB 3.62Å; E228-R232 HydrophobicContact CB-CG 4.43Å; E228-R232 WeakPolarHBondContact O-CD 3.27Å; E228-R232 PolarHBondContact O-NH1 2.86Å; G229-R232 PolarHBondContact O-N 3.47Å; R232-R234 VanDerWaalsContact C-N 3.34Å; R232-R234 PolarHBondContact O-N 2.92Å; R232-I235 WeakPolarHBondContact O-CA 3.43Å; R232-I235 WeakPolarHBondContact O-CB 3.42Å; R232-I235 PolarHBondContact O-N 2.93Å; R232-E236 PolarHBondContact O-N 3.37Å; R232-S349 PolarHBondContact NE-O 2.85Å; R232-S349 PolarHBondContact NH2-O 2.88Å; R232-M351 PolarHBondContact NH2-O 3.2Å; R232-D352 IonicContact CZ-OD1 2.67Å; R232-D352 IonicContact NH1-OD1 2.77Å; R232-D352 IonicContact NH2-OD1 2.95Å; R232-D352 PolarHBondContact NH2-OD1 3.02Å
233	A	95.2	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-41	171.4	0	0	0	0	0	113	I160 V191 D193 G229 I235 E236 G237	I160-A233 HydrophobicContact CB-CB 4.43Å; I160-A233 HydrophobicContact CG2-CB 3.8Å; V191-A233 HydrophobicContact CG1-CB 4.05Å; D193-A233 HydrophobicContact CB-CB 4.01Å; G229-A233 PolarHBondContact O-N 3.33Å; A233-I235 VanDerWaalsContact C-N 3.3Å; A233-I235 PolarHBondContact O-N 3.41Å; A233-E236 PolarHBondContact O-N 2.93Å; A233-G237 PolarHBondContact O-N 3.05Å; A233-G237 VanDerWaalsContact O-N 3.08Å
234	R	95.9	Very high	95.1	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.011	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-35.9	172.8	-73.5	177.4	179.3	-179.7	-1.3	112.1	I160 L230 R232 W238 F248 D250 G331 L347	I160-R234 HydrophobicContact CD1-CG 4.03Å; I160-R234 HydrophobicContact CG1-CG 4.33Å; I160-R234 HydrophobicContact CG2-CG 3.74Å; L230-R234 WeakPolarHBondContact O-CG 3.46Å; L230-R234 PolarHBondContact O-N 3.43Å; L230-R234 VanDerWaalsContact O-N 3.08Å; R232-R234 VanDerWaalsContact C-N 3.34Å; R232-R234 PolarHBondContact O-N 2.92Å; R234-W238 PolarHBondContact O-N 2.86Å; R234-F248 HydrophobicContact CB-CD1 4.02Å; R234-F248 HydrophobicContact CB-CE1 4.26Å; R234-F248 HydrophobicContact CG-CD1 4.11Å; R234-F248 WeakPolarHBondContact O-CE1 3.28Å; R234-D250 IonicContact NH2-OD1 2.71Å; R234-D250 PolarHBondContact NH2-OD1 3.02Å; R234-G331 VanDerWaalsContact CZ-O 3.32Å; R234-G331 PolarHBondContact NH1-O 2.75Å; R234-G331 PolarHBondContact NH2-O 2.9Å; R234-L347 HydrophobicContact CB-CD1 4.15Å
235	I	96.9	Very high	95.3	Very high	18 Å²	18	49.7 Å²	49.7	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-43.9	175.8	-70.6	166	0	0	0	111.7	I231 R232 A233 G237 W238 K239 L346 L347	I231-I235 WeakPolarHBondContact O-CG1 3.33Å; I231-I235 PolarHBondContact O-N 2.86Å; R232-I235 WeakPolarHBondContact O-CA 3.43Å; R232-I235 WeakPolarHBondContact O-CB 3.42Å; R232-I235 PolarHBondContact O-N 2.93Å; A233-I235 VanDerWaalsContact C-N 3.3Å; A233-I235 PolarHBondContact O-N 3.41Å; I235-G237 VanDerWaalsContact C-N 3.34Å; I235-G237 PolarHBondContact O-N 3.4Å; I235-W238 PolarHBondContact O-N 3.47Å; I235-K239 WeakPolarHBondContact O-CG 3.49Å; I235-K239 PolarHBondContact O-N 3.3Å; I235-L346 HydrophobicContact CD1-CB 4.36Å; I235-L346 HydrophobicContact CG1-CB 4.04Å; I235-L346 HydrophobicContact CG1-CD1 4.19Å; I235-L346 HydrophobicContact CG2-CD1 3.97Å; I235-L347 HydrophobicContact CD1-CB 4.41Å
236	E	97.6	Very high	95.6	Very high	56 Å²	56	41 Å²	41	26%	0.262	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-39.1	176.3	-57.9	-43.4	120	0	0	112.1	V222 R232 A233 W238 K239	V222-E236 HydrophobicContact CG1-CB 4.46Å; R232-E236 PolarHBondContact O-N 3.37Å; A233-E236 PolarHBondContact O-N 2.93Å; E236-W238 PolarHBondContact O-N 3.44Å; E236-K239 PolarHBondContact O-N 2.99Å; E236-K239 WeakPolarHBondContact OE1-CE 3.02Å; E236-K239 IonicContact OE1-NZ 3.98Å; E236-K239 PolarHBondContact OE1-NZ 2.79Å; E236-K239 WeakPolarHBondContact OE2-CD 3.37Å; E236-K239 WeakPolarHBondContact OE2-CE 3.23Å; E236-K239 IonicContact OE2-NZ 2.68Å; E236-K239 PolarHBondContact OE2-NZ 3.4Å
237	G	98	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-38.7	172.3	0	0	0	0	0	113.6	A233 I235 V240 A241	A233-G237 PolarHBondContact O-N 3.05Å; A233-G237 VanDerWaalsContact O-N 3.08Å; I235-G237 VanDerWaalsContact C-N 3.34Å; I235-G237 PolarHBondContact O-N 3.4Å; G237-V240 WeakPolarHBondContact O-CG2 3.26Å; G237-A241 PolarHBondContact O-N 3.04Å
238	W	98.3	Very high	96.3	Very high	44 Å²	44	30.4 Å²	30.4	17%	0.167	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-39.6	175.7	175.8	90.2	0	0	0	112.6	R234 I235 E236 V240 A241 F248 R338 F341 L346	R234-W238 PolarHBondContact O-N 2.86Å; I235-W238 PolarHBondContact O-N 3.47Å; E236-W238 PolarHBondContact O-N 3.44Å; W238-V240 VanDerWaalsContact C-N 3.26Å; W238-V240 PolarHBondContact O-N 3.25Å; W238-A241 WeakPolarHBondContact O-CB 3.5Å; W238-A241 PolarHBondContact O-N 3.47Å; W238-A241 VanDerWaalsContact O-N 3.13Å; W238-F248 HydrophobicContact CB-CE1 4.13Å; W238-F248 HydrophobicContact CB-CZ 4.01Å; W238-F248 HydrophobicContact CG-CZ 4.42Å; W238-R338 PolarHBondContact NE1-O 3.49Å; W238-F341 AromaticContact CD1-CD1 3.76Å; W238-F341 HydrophobicContact CG-CD1 4.4Å; W238-L346 HydrophobicContact CD2-CD1 4.14Å; W238-L346 HydrophobicContact CD2-CD2 3.53Å; W238-L346 HydrophobicContact CE3-CD1 3.64Å; W238-L346 HydrophobicContact CE3-CD2 3.9Å; W238-L346 HydrophobicContact CE3-CG 4.43Å; W238-L346 HydrophobicContact CG-CD2 3.91Å; W238-L346 HydrophobicContact CH2-CD1 4.49Å; W238-L346 HydrophobicContact CH2-CD2 4.33Å; W238-L346 HydrophobicContact CZ2-CD2 4Å; W238-L346 HydrophobicContact CZ3-CD1 3.84Å; W238-L346 HydrophobicContact CZ3-CD2 4.29Å
239	K	98	Very high	96.7	Very high	112 Å²	112	27.9 Å²	27.9	49%	0.487	14%	0.139	S	C	.	.	H	α-helix	trans	-57.9	-37.8	-179.8	-73.1	174.6	-170.4	165.7	0	112.9	I235 E236	I235-K239 WeakPolarHBondContact O-CG 3.49Å; I235-K239 PolarHBondContact O-N 3.3Å; E236-K239 PolarHBondContact O-N 2.99Å; E236-K239 WeakPolarHBondContact OE1-CE 3.02Å; E236-K239 IonicContact OE1-NZ 3.98Å; E236-K239 PolarHBondContact OE1-NZ 2.79Å; E236-K239 WeakPolarHBondContact OE2-CD 3.37Å; E236-K239 WeakPolarHBondContact OE2-CE 3.23Å; E236-K239 IonicContact OE2-NZ 2.68Å; E236-K239 PolarHBondContact OE2-NZ 3.4Å
240	V	98.2	Very high	96.9	Very high	61 Å²	61	28.4 Å²	28.4	37%	0.37	14%	0.14	S	C	.	.	H	α-helix	trans	-89.2	-7.7	-179.2	-55.6	0	0	0	0	113.7	I189 V222 G237 W238	I189-V240 HydrophobicContact CD1-CG2 4.02Å; I189-V240 HydrophobicContact CG1-CG2 4.24Å; I189-V240 HydrophobicContact CG2-CG2 3.79Å; V222-V240 HydrophobicContact CG2-CG1 4.24Å; V222-V240 HydrophobicContact CG2-CG2 3.74Å; G237-V240 WeakPolarHBondContact O-CG2 3.26Å; W238-V240 VanDerWaalsContact C-N 3.26Å; W238-V240 PolarHBondContact O-N 3.25Å
241	A	98.5	Very high	97.2	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	13%	0.133	C	C	.	.			trans	-73.9	138.4	-179.6	0	0	0	0	0	112	I158 I189 G237 W238 T246 R338	I158-A241 HydrophobicContact CD1-CB 4.24Å; I189-A241 HydrophobicContact CD1-CB 3.8Å; G237-A241 PolarHBondContact O-N 3.04Å; W238-A241 WeakPolarHBondContact O-CB 3.5Å; W238-A241 PolarHBondContact O-N 3.47Å; W238-A241 VanDerWaalsContact O-N 3.13Å; A241-T246 HydrophobicContact CB-CG2 3.7Å; A241-R338 PolarHBondContact O-NE 3.1Å; A241-R338 PolarHBondContact O-NH2 3.5Å
242	T	98.4	Very high	97.4	Very high	83 Å²	83	27.5 Å²	27.5	51%	0.509	13%	0.134	S	C	.	.			trans	-119.9	-6.5	-169.6	66	0	0	0	0	114.5	E187	E187-T242 WeakPolarHBondContact OE1-CB 3.3Å; E187-T242 PolarHBondContact OE1-N 3.41Å; E187-T242 PolarHBondContact OE1-OG1 2.92Å; E187-T242 PolarHBondContact OE2-OG1 2.92Å
243	A	98.5	Very high	97.5	Very high	5 Å²	5	25 Å²	25	4%	0.041	13%	0.125	C	C	.	.	S	Bend	trans	-86.8	162.3	175.8	0	0	0	0	0	112.7	Q154 S156 K186 V245 R338	Q154-A243 HydrophobicContact CB-CB 4.22Å; Q154-A243 WeakPolarHBondContact O-CB 3.48Å; S156-A243 WeakPolarHBondContact OG-CB 3.44Å; S156-A243 PolarHBondContact OG-N 3.36Å; S156-A243 VanDerWaalsContact OG-N 3.13Å; K186-A243 HydrophobicContact CB-CB 3.71Å; K186-A243 HydrophobicContact CG-CB 3.92Å; A243-V245 VanDerWaalsContact C-N 3.25Å; A243-V245 PolarHBondContact O-N 3.49Å; A243-R338 WeakPolarHBondContact O-CD 3.33Å
244	E	98.6	Very high	97.7	Very high	103 Å²	103	25.1 Å²	25.1	48%	0.481	13%	0.126	S	C	.	.	S	Bend	trans	-65.1	-29	175.6	-170.8	-169.8	134.9	0	0	112.6	P153 N337 R338	P153-E244 HydrophobicContact CB-CB 4.14Å; P153-E244 VanDerWaalsContact CB-CD 3.49Å; P153-E244 HydrophobicContact CB-CG 4.28Å; P153-E244 WeakPolarHBondContact CB-OE2 3.38Å; E244-N337 PolarHBondContact O-ND2 2.96Å; E244-R338 WeakPolarHBondContact O-CB 3.28Å; E244-R338 PolarHBondContact O-N 2.73Å
245	V	98.9	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.2	179.1	-179.8	0	0	0	0	110.4	P153 Q154 I155 S156 A243 L264 I267 V335 A336	P153-V245 HydrophobicContact CB-CG2 4.03Å; P153-V245 HydrophobicContact CG-CG2 3.83Å; Q154-V245 PolarHBondContact O-N 3.29Å; Q154-V245 VanDerWaalsContact O-N 3.17Å; I155-V245 CarbonylContact C-O 3.57Å; I155-V245 VanDerWaalsContact CA-O 3.32Å; I155-V245 WeakPolarHBondContact CA-O 3.26Å; I155-V245 HydrophobicContact CB-CB 4.4Å; I155-V245 HydrophobicContact CD1-CG1 4.05Å; I155-V245 HydrophobicContact CG1-CB 4.35Å; I155-V245 HydrophobicContact CG1-CG1 4.07Å; S156-V245 PolarHBondContact N-O 2.88Å; A243-V245 VanDerWaalsContact C-N 3.25Å; A243-V245 PolarHBondContact O-N 3.49Å; V245-L264 HydrophobicContact CB-CD2 3.86Å; V245-L264 HydrophobicContact CG1-CD2 3.77Å; V245-L264 HydrophobicContact CG2-CD2 3.84Å; V245-I267 HydrophobicContact CG1-CD1 3.83Å; V245-I267 HydrophobicContact CG2-CG2 4.02Å; V245-V335 HydrophobicContact CG1-CG1 3.37Å; V245-A336 WeakPolarHBondContact CG1-O 3.32Å
246	T	98.8	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124	172.9	45.7	0	0	0	0	110.2	S156 I158 A241 F248 V335 A336 R338	S156-T246 WeakPolarHBondContact O-CA 3.35Å; I158-T246 HydrophobicContact CD1-CG2 3.98Å; A241-T246 HydrophobicContact CB-CG2 3.7Å; T246-F248 WeakPolarHBondContact OG1-CE2 3.23Å; T246-V335 WeakPolarHBondContact O-CA 3.39Å; T246-A336 PolarHBondContact N-O 3.05Å; T246-A336 PolarHBondContact O-N 2.84Å; T246-A336 PolarHBondContact OG1-O 2.83Å; T246-R338 HydrophobicContact CG2-CB 4.04Å; T246-R338 HydrophobicContact CG2-CG 4Å
247	G	98.4	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.6	172.1	0	0	0	0	0	110.9	S156 L157 I158	S156-G247 PolarHBondContact O-N 3.28Å; L157-G247 CarbonylContact C-O 3.35Å; L157-G247 WeakPolarHBondContact CA-O 3.34Å; I158-G247 PolarHBondContact N-O 3.33Å
248	F	98.1	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.7	178.9	-58	-91.7	0	0	0	109.8	I158 R234 W238 T246 S333 F334 F341	I158-F248 HydrophobicContact CB-CD1 3.99Å; I158-F248 HydrophobicContact CB-CE1 4.37Å; I158-F248 HydrophobicContact CD1-CD1 3.88Å; I158-F248 HydrophobicContact CD1-CE1 3.41Å; I158-F248 VanDerWaalsContact CD1-CE1 3.41Å; I158-F248 HydrophobicContact CD1-CZ 3.87Å; I158-F248 HydrophobicContact CG1-CE1 4.5Å; I158-F248 HydrophobicContact CG2-CD1 3.98Å; I158-F248 HydrophobicContact CG2-CE1 4.31Å; R234-F248 HydrophobicContact CB-CD1 4.02Å; R234-F248 HydrophobicContact CB-CE1 4.26Å; R234-F248 HydrophobicContact CG-CD1 4.11Å; R234-F248 WeakPolarHBondContact O-CE1 3.28Å; W238-F248 HydrophobicContact CB-CE1 4.13Å; W238-F248 HydrophobicContact CB-CZ 4.01Å; W238-F248 HydrophobicContact CG-CZ 4.42Å; T246-F248 WeakPolarHBondContact OG1-CE2 3.23Å; F248-S333 CarbonylContact O-C 3.45Å; F248-S333 WeakPolarHBondContact O-CA 3.12Å; F248-S333 WeakPolarHBondContact O-CB 3.39Å; F248-F334 HydrophobicContact CB-CD1 3.93Å; F248-F334 HydrophobicContact CB-CE1 3.61Å; F248-F334 HydrophobicContact CB-CZ 4.06Å; F248-F334 HydrophobicContact CD1-CZ 4.47Å; F248-F334 HydrophobicContact CD2-CD1 4.25Å; F248-F334 AromaticContact CD2-CD2 3.95Å; F248-F334 HydrophobicContact CD2-CD2 3.95Å; F248-F334 AromaticContact CD2-CE1 3.7Å; F248-F334 HydrophobicContact CD2-CE1 3.7Å; F248-F334 AromaticContact CD2-CE2 3.35Å; F248-F334 HydrophobicContact CD2-CE2 3.35Å; F248-F334 HydrophobicContact CD2-CG 4.38Å; F248-F334 AromaticContact CD2-CZ 3.2Å; F248-F334 HydrophobicContact CD2-CZ 3.2Å; F248-F334 AromaticContact CE2-CE2 3.65Å; F248-F334 HydrophobicContact CE2-CE2 3.65Å; F248-F334 AromaticContact CE2-CZ 3.67Å; F248-F334 HydrophobicContact CE2-CZ 3.67Å; F248-F334 HydrophobicContact CG-CD1 4.42Å; F248-F334 AromaticContact CG-CE1 3.76Å; F248-F334 HydrophobicContact CG-CE1 3.76Å; F248-F334 HydrophobicContact CG-CE2 4.25Å; F248-F334 AromaticContact CG-CZ 3.67Å; F248-F334 HydrophobicContact CG-CZ 3.67Å; F248-F334 HydrophobicContact CZ-CZ 4.46Å; F248-F334 PolarHBondContact N-O 3.43Å; F248-F334 PolarHBondContact O-N 3.22Å; F248-F341 HydrophobicContact CE1-CE1 4.38Å; F248-F341 AromaticContact CE2-CD1 3.9Å; F248-F341 HydrophobicContact CE2-CD1 3.9Å; F248-F341 AromaticContact CE2-CE1 3.75Å; F248-F341 HydrophobicContact CE2-CE1 3.75Å; F248-F341 HydrophobicContact CE2-CZ 4.43Å; F248-F341 AromaticContact CZ-CD1 3.81Å; F248-F341 HydrophobicContact CZ-CD1 3.81Å; F248-F341 AromaticContact CZ-CE1 3.52Å; F248-F341 HydrophobicContact CZ-CE1 3.52Å; F248-F341 HydrophobicContact CZ-CZ 4.47Å
249	F	97.5	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.9	-177.8	-66.8	-89.9	0	0	0	110.8	L157 I158 F159 I160 V253 F255 W259 P277 C332 V335 V380	L157-F249 HydrophobicContact CD2-CD2 4.35Å; L157-F249 HydrophobicContact CD2-CE2 3.87Å; I158-F249 PolarHBondContact O-N 3.19Å; F159-F249 WeakPolarHBondContact CA-O 3.45Å; F159-F249 HydrophobicContact CD1-CB 3.61Å; F159-F249 HydrophobicContact CE1-CB 3.58Å; F159-F249 HydrophobicContact CE1-CD2 4.48Å; F159-F249 HydrophobicContact CE1-CG 4.14Å; I160-F249 PolarHBondContact N-O 3.13Å; F249-V253 HydrophobicContact CB-CG2 4.36Å; F249-F255 AromaticContact CD1-CE1 3.98Å; F249-F255 HydrophobicContact CD1-CE1 3.98Å; F249-F255 AromaticContact CD1-CZ 3.79Å; F249-F255 HydrophobicContact CD1-CZ 3.79Å; F249-F255 HydrophobicContact CD2-CE1 4.37Å; F249-F255 HydrophobicContact CD2-CZ 4.01Å; F249-F255 AromaticContact CE1-CE1 3.61Å; F249-F255 HydrophobicContact CE1-CE1 3.61Å; F249-F255 AromaticContact CE1-CZ 3.92Å; F249-F255 HydrophobicContact CE1-CZ 3.92Å; F249-F255 HydrophobicContact CE2-CE1 4.03Å; F249-F255 HydrophobicContact CE2-CZ 4.13Å; F249-F255 HydrophobicContact CG-CE1 4.38Å; F249-F255 AromaticContact CG-CZ 3.87Å; F249-F255 HydrophobicContact CG-CZ 3.87Å; F249-F255 AromaticContact CZ-CE1 3.65Å; F249-F255 HydrophobicContact CZ-CE1 3.65Å; F249-F255 HydrophobicContact CZ-CZ 4.11Å; F249-W259 AromaticContact CE2-CH2 3.96Å; F249-W259 HydrophobicContact CE2-CH2 3.96Å; F249-W259 HydrophobicContact CE2-CZ3 4.38Å; F249-W259 AromaticContact CZ-CH2 3.72Å; F249-W259 HydrophobicContact CZ-CH2 3.72Å; F249-W259 AromaticContact CZ-CZ3 3.7Å; F249-W259 HydrophobicContact CZ-CZ3 3.7Å; F249-P277 HydrophobicContact CE1-CG 4.26Å; F249-P277 HydrophobicContact CZ-CG 4.41Å; F249-C332 WeakPolarHBondContact CA-O 3.46Å; F249-V335 HydrophobicContact CE2-CG2 4.24Å; F249-V335 HydrophobicContact CZ-CG2 3.99Å; F249-V380 HydrophobicContact CD1-CG1 4.45Å; F249-V380 HydrophobicContact CE1-CG1 4.36Å; F249-V380 HydrophobicContact CE1-CG2 4.14Å
250	D	95	Very high	96.9	Very high	22 Å²	22	18.7 Å²	18.7	12%	0.118	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144.3	161.3	-65.5	-11.7	0	0	0	109.6	R234 H252 V253 C332 H382	R234-D250 IonicContact NH2-OD1 2.71Å; R234-D250 PolarHBondContact NH2-OD1 3.02Å; D250-H252 PolarHBondContact O-N 3.18Å; D250-H252 IonicContact OD2-NE2 3.46Å; D250-V253 WeakPolarHBondContact O-CG2 3.35Å; D250-C332 PolarHBondContact N-O 3.14Å; D250-C332 VanDerWaalsContact OD2-CA 3.32Å; D250-C332 WeakPolarHBondContact OD2-CA 3.37Å; D250-C332 WeakPolarHBondContact OD2-CB 3.48Å; D250-H382 IonicContact OD2-CD2 3.57Å; D250-H382 IonicContact OD2-CE1 3.43Å; D250-H382 IonicContact OD2-NE2 3.65Å; D250-H382 PolarHBondContact OD2-NE2 3.37Å
251	A	95.4	Very high	96.9	Very high	1 Å²	1	17 Å²	17	1%	0.008	10%	0.097	C	C	.	.	S	Bend	trans	-73.2	23.4	-179.4	0	0	0	0	0	115.4	F159 I160 F161 I169 S172	F159-A251 HydrophobicContact CB-CB 4.2Å; I160-A251 VanDerWaalsContact O-CB 3.32Å; I160-A251 WeakPolarHBondContact O-CB 3.39Å; I160-A251 PolarHBondContact O-N 2.9Å; F161-A251 HydrophobicContact CB-CB 3.77Å; I169-A251 HydrophobicContact CG1-CB 4.3Å; S172-A251 PolarHBondContact OG-O 3.2Å; S172-A251 VanDerWaalsContact OG-O 3.13Å
252	H	96.4	Very high	96.9	Very high	10 Å²	10	17.2 Å²	17.2	5%	0.046	10%	0.098	C	C	.	.	S	Bend	trans	-135.6	60.5	-179.1	45.6	-83.8	0	0	0	111.3	E164 V168 D250 H382 I383 R385	E164-H252 IonicContact OE2-CE1 3.56Å; E164-H252 IonicContact OE2-CG 3.88Å; E164-H252 IonicContact OE2-ND1 2.71Å; E164-H252 PolarHBondContact OE2-ND1 3.27Å; V168-H252 HydrophobicContact CG1-CB 3.4Å; V168-H252 VanDerWaalsContact CG1-CB 3.4Å; D250-H252 PolarHBondContact O-N 3.18Å; D250-H252 IonicContact OD2-NE2 3.46Å; H252-H382 AromaticContact CD2-CD2 3.97Å; H252-H382 AromaticContact CD2-CE1 3.72Å; H252-H382 AromaticContact CD2-NE2 3.39Å; H252-H382 PolarHBondContact CD2-NE2 2.97Å; H252-H382 AromaticContact NE2-CE1 3.72Å; H252-H382 AromaticContact NE2-NE2 3.39Å; H252-H382 PolarHBondContact NE2-NE2 2.78Å; H252-I383 HydrophobicContact CB-CB 4.32Å; H252-I383 HydrophobicContact CB-CD1 3.99Å; H252-I383 HydrophobicContact CB-CG1 4.17Å; H252-I383 PolarHBondContact O-N 2.72Å; H252-I383 VanDerWaalsContact O-N 3.13Å; H252-R385 PolarHBondContact CE1-NH2 2.71Å; H252-R385 PolarHBondContact ND1-NH2 3.04Å; H252-R385 PolarHBondContact NE2-NE 3.35Å; H252-R385 PolarHBondContact NE2-NH2 3.04Å
253	V	97.8	Very high	96.8	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.024	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	158.8	-177.6	-66.4	0	0	0	0	112.8	F159 S172 F249 D250 F255 V380 A381 H382	F159-V253 HydrophobicContact CD1-CG2 4.4Å; F159-V253 HydrophobicContact CE1-CG2 3.77Å; S172-V253 VanDerWaalsContact CA-O 3.29Å; S172-V253 WeakPolarHBondContact CA-O 3.31Å; S172-V253 WeakPolarHBondContact CB-O 3.29Å; S172-V253 PolarHBondContact OG-N 2.79Å; S172-V253 VanDerWaalsContact OG-N 3.16Å; S172-V253 PolarHBondContact OG-O 2.88Å; S172-V253 VanDerWaalsContact OG-O 3.06Å; F249-V253 HydrophobicContact CB-CG2 4.36Å; D250-V253 WeakPolarHBondContact O-CG2 3.35Å; V253-F255 HydrophobicContact CG2-CD2 4.41Å; V253-F255 HydrophobicContact CG2-CE2 3.63Å; V253-F255 HydrophobicContact CG2-CZ 4Å; V253-V380 HydrophobicContact CB-CG1 3.72Å; V253-V380 HydrophobicContact CG1-CG1 4.06Å; V253-V380 HydrophobicContact CG2-CG1 4.31Å; V253-A381 CarbonylContact C-O 3.55Å; V253-A381 WeakPolarHBondContact CA-O 3.31Å; V253-A381 WeakPolarHBondContact CB-O 3.22Å; V253-H382 HydrophobicContact CG1-CB 4.22Å
254	E	97.9	Very high	96.9	Very high	4 Å²	4	13 Å²	13	2%	0.019	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.8	170.6	-64.9	179.7	-121.7	0	0	110.2	R133 I135 R171 S175 I282 A381	R133-E254 WeakPolarHBondContact CG-OE2 3.42Å; R133-E254 IonicContact CZ-OE1 3.63Å; R133-E254 IonicContact CZ-OE2 3.75Å; R133-E254 IonicContact NE-OE1 3.59Å; R133-E254 PolarHBondContact NE-OE1 3.2Å; R133-E254 IonicContact NE-OE2 2.83Å; R133-E254 PolarHBondContact NE-OE2 3.06Å; R133-E254 IonicContact NH2-OE1 2.67Å; R133-E254 PolarHBondContact NH2-OE1 3.46Å; R133-E254 IonicContact NH2-OE2 3.41Å; I135-E254 HydrophobicContact CD1-CB 4.03Å; I135-E254 HydrophobicContact CG2-CB 4.41Å; I135-E254 WeakPolarHBondContact CG2-OE2 3.13Å; R171-E254 VanDerWaalsContact CD-OE1 3.28Å; R171-E254 WeakPolarHBondContact CD-OE1 3.17Å; R171-E254 HydrophobicContact CG-CG 4.1Å; S175-E254 WeakPolarHBondContact OG-CA 3.46Å; E254-I282 HydrophobicContact CB-CD1 4.18Å; E254-I282 HydrophobicContact CG-CD1 3.96Å; E254-A381 PolarHBondContact N-O 2.91Å; E254-A381 PolarHBondContact O-N 3.34Å
255	F	97.6	Very high	96.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.9	-174.4	-67.8	-93.3	0	0	0	112.3	I135 F159 S175 A176 H179 F249 V253 W259 V380	I135-F255 WeakPolarHBondContact CD1-O 3.47Å; F159-F255 AromaticContact CE1-CE2 3.69Å; F159-F255 HydrophobicContact CE1-CE2 3.69Å; F159-F255 AromaticContact CE1-CZ 3.79Å; F159-F255 HydrophobicContact CE1-CZ 3.79Å; F159-F255 AromaticContact CZ-CE2 3.55Å; F159-F255 HydrophobicContact CZ-CE2 3.55Å; F159-F255 AromaticContact CZ-CZ 3.73Å; F159-F255 HydrophobicContact CZ-CZ 3.73Å; S175-F255 PolarHBondContact OG-N 3.04Å; A176-F255 HydrophobicContact CB-CD2 3.78Å; A176-F255 HydrophobicContact CB-CE2 3.79Å; H179-F255 HydrophobicContact CB-CB 4.41Å; H179-F255 PolarHBondContact CD2-O 3.08Å; F249-F255 AromaticContact CD1-CE1 3.98Å; F249-F255 HydrophobicContact CD1-CE1 3.98Å; F249-F255 AromaticContact CD1-CZ 3.79Å; F249-F255 HydrophobicContact CD1-CZ 3.79Å; F249-F255 HydrophobicContact CD2-CE1 4.37Å; F249-F255 HydrophobicContact CD2-CZ 4.01Å; F249-F255 AromaticContact CE1-CE1 3.61Å; F249-F255 HydrophobicContact CE1-CE1 3.61Å; F249-F255 AromaticContact CE1-CZ 3.92Å; F249-F255 HydrophobicContact CE1-CZ 3.92Å; F249-F255 HydrophobicContact CE2-CE1 4.03Å; F249-F255 HydrophobicContact CE2-CZ 4.13Å; F249-F255 HydrophobicContact CG-CE1 4.38Å; F249-F255 AromaticContact CG-CZ 3.87Å; F249-F255 HydrophobicContact CG-CZ 3.87Å; F249-F255 AromaticContact CZ-CE1 3.65Å; F249-F255 HydrophobicContact CZ-CE1 3.65Å; F249-F255 HydrophobicContact CZ-CZ 4.11Å; V253-F255 HydrophobicContact CG2-CD2 4.41Å; V253-F255 HydrophobicContact CG2-CE2 3.63Å; V253-F255 HydrophobicContact CG2-CZ 4Å; F255-W259 AromaticContact CD1-CD1 3.89Å; F255-W259 AromaticContact CD1-CD2 3.65Å; F255-W259 HydrophobicContact CD1-CD2 3.65Å; F255-W259 AromaticContact CD1-CE2 3.33Å; F255-W259 HydrophobicContact CD1-CE3 4.28Å; F255-W259 HydrophobicContact CD1-CG 4Å; F255-W259 HydrophobicContact CD1-CH2 4.31Å; F255-W259 AromaticContact CD1-CZ2 3.71Å; F255-W259 HydrophobicContact CD1-CZ2 3.71Å; F255-W259 AromaticContact CD1-NE1 3.5Å; F255-W259 HydrophobicContact CE1-CD2 4.17Å; F255-W259 AromaticContact CE1-CE2 3.74Å; F255-W259 HydrophobicContact CE1-CE3 4.42Å; F255-W259 AromaticContact CE1-CH2 3.87Å; F255-W259 HydrophobicContact CE1-CH2 3.87Å; F255-W259 AromaticContact CE1-CZ2 3.58Å; F255-W259 HydrophobicContact CE1-CZ2 3.58Å; F255-W259 HydrophobicContact CE1-CZ3 4.29Å; F255-V380 HydrophobicContact CD1-CG1 4.26Å; F255-V380 HydrophobicContact CD1-CG2 3.58Å; F255-V380 HydrophobicContact CE1-CG1 4.29Å; F255-V380 HydrophobicContact CE1-CG2 3.87Å; F255-V380 HydrophobicContact CG-CG2 4.41Å
256	T	94.1	Very high	96.8	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-88.5	154.2	173.4	64.1	0	0	0	0	112.2	I135 S258 W259 R379	I135-T256 HydrophobicContact CD1-CG2 3.77Å; I135-T256 HydrophobicContact CG1-CG2 4.39Å; T256-S258 PolarHBondContact O-N 3.48Å; T256-W259 WeakPolarHBondContact O-CB 3.29Å; T256-W259 PolarHBondContact O-N 3.17Å; T256-R379 WeakPolarHBondContact CB-O 3.38Å; T256-R379 HydrophobicContact CG2-CB 3.89Å; T256-R379 WeakPolarHBondContact CG2-O 3.35Å; T256-R379 PolarHBondContact N-O 2.99Å; T256-R379 PolarHBondContact OG1-O 3.28Å
257	P	91	Very high	96.8	Very high	50 Å²	50	11.4 Å²	11.4	33%	0.325	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	129.9	175.2	-26.4	34.6	0	0	0	113.3	R139	R139-P257 PolarHBondContact NH1-O 2.96Å; R139-P257 PolarHBondContact NH2-O 2.83Å
258	S	91.9	Very high	96.7	Very high	47 Å²	47	15.8 Å²	15.8	33%	0.329	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	50.8	-177.2	-67.4	0	0	0	0	113.9	R139 T256 E261	R139-S258 PolarHBondContact NH1-O 2.87Å; T256-S258 PolarHBondContact O-N 3.48Å; S258-E261 WeakPolarHBondContact CA-OE1 3.46Å; S258-E261 VanDerWaalsContact CA-OE2 3.28Å; S258-E261 WeakPolarHBondContact CA-OE2 3.4Å; S258-E261 WeakPolarHBondContact CB-OE1 3.34Å; S258-E261 PolarHBondContact OG-OE1 2.87Å
259	W	96.8	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.			trans	-82.4	-35	169.4	77.6	-82.2	0	0	0	112.2	I155 L157 T180 F249 F255 T256 P262 V263 P277 V335 S378 V380	I155-W259 HydrophobicContact CD1-CH2 4.07Å; L157-W259 HydrophobicContact CD1-CZ2 4.29Å; L157-W259 HydrophobicContact CD2-CH2 3.73Å; L157-W259 HydrophobicContact CD2-CZ2 3.85Å; T180-W259 PolarHBondContact OG1-NE1 3.37Å; F249-W259 AromaticContact CE2-CH2 3.96Å; F249-W259 HydrophobicContact CE2-CH2 3.96Å; F249-W259 HydrophobicContact CE2-CZ3 4.38Å; F249-W259 AromaticContact CZ-CH2 3.72Å; F249-W259 HydrophobicContact CZ-CH2 3.72Å; F249-W259 AromaticContact CZ-CZ3 3.7Å; F249-W259 HydrophobicContact CZ-CZ3 3.7Å; F255-W259 AromaticContact CD1-CD1 3.89Å; F255-W259 AromaticContact CD1-CD2 3.65Å; F255-W259 HydrophobicContact CD1-CD2 3.65Å; F255-W259 AromaticContact CD1-CE2 3.33Å; F255-W259 HydrophobicContact CD1-CE3 4.28Å; F255-W259 HydrophobicContact CD1-CG 4Å; F255-W259 HydrophobicContact CD1-CH2 4.31Å; F255-W259 AromaticContact CD1-CZ2 3.71Å; F255-W259 HydrophobicContact CD1-CZ2 3.71Å; F255-W259 AromaticContact CD1-NE1 3.5Å; F255-W259 HydrophobicContact CE1-CD2 4.17Å; F255-W259 AromaticContact CE1-CE2 3.74Å; F255-W259 HydrophobicContact CE1-CE3 4.42Å; F255-W259 AromaticContact CE1-CH2 3.87Å; F255-W259 HydrophobicContact CE1-CH2 3.87Å; F255-W259 AromaticContact CE1-CZ2 3.58Å; F255-W259 HydrophobicContact CE1-CZ2 3.58Å; F255-W259 HydrophobicContact CE1-CZ3 4.29Å; T256-W259 WeakPolarHBondContact O-CB 3.29Å; T256-W259 PolarHBondContact O-N 3.17Å; W259-P262 WeakPolarHBondContact O-CD 3.22Å; W259-P262 WeakPolarHBondContact O-CG 3.17Å; W259-V263 HydrophobicContact CE3-CG2 4.26Å; W259-V263 HydrophobicContact CZ3-CG2 4.36Å; W259-V263 WeakPolarHBondContact O-CG2 3.45Å; W259-P277 HydrophobicContact CE3-CG 4.46Å; W259-P277 HydrophobicContact CZ3-CG 4.5Å; W259-V335 HydrophobicContact CZ3-CG2 4.21Å; W259-S378 WeakPolarHBondContact O-CB 3.2Å; W259-S378 PolarHBondContact O-OG 2.73Å; W259-V380 HydrophobicContact CE3-CG2 4.35Å
260	A	97.8	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-77.7	-39.3	-167.6	0	0	0	0	0	112.7	T180 V263 L264	T180-A260 HydrophobicContact CG2-CB 3.92Å; A260-V263 WeakPolarHBondContact O-CB 3.46Å; A260-V263 PolarHBondContact O-N 3.23Å; A260-V263 VanDerWaalsContact O-N 3.09Å; A260-L264 HydrophobicContact CB-CD1 4.15Å; A260-L264 WeakPolarHBondContact O-CB 3.1Å; A260-L264 VanDerWaalsContact O-CG 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.16Å
261	E	97.8	Very high	96.9	Very high	26 Å²	26	26.8 Å²	26.8	12%	0.121	14%	0.136	C	C	.	.	H	α-helix	trans	-56.1	-48.5	-177	-56.6	93.1	111.6	0	0	113.4	Y148 L152 P181 L184 S258 V263 A265	Y148-E261 HydrophobicContact CD2-CB 3.56Å; Y148-E261 HydrophobicContact CE2-CB 4.26Å; Y148-E261 HydrophobicContact CG-CB 3.79Å; L152-E261 HydrophobicContact CD1-CB 4.15Å; P181-E261 HydrophobicContact CG-CG 4.36Å; L184-E261 HydrophobicContact CD1-CG 4.14Å; S258-E261 WeakPolarHBondContact CA-OE1 3.46Å; S258-E261 VanDerWaalsContact CA-OE2 3.28Å; S258-E261 WeakPolarHBondContact CA-OE2 3.4Å; S258-E261 WeakPolarHBondContact CB-OE1 3.34Å; S258-E261 PolarHBondContact OG-OE1 2.87Å; E261-V263 VanDerWaalsContact C-N 3.35Å; E261-V263 PolarHBondContact O-N 3.37Å; E261-A265 VanDerWaalsContact O-CB 3.28Å; E261-A265 WeakPolarHBondContact O-CB 3.3Å; E261-A265 PolarHBondContact O-N 3.11Å
262	P	97.4	Very high	97	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.039	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-37.4	172.8	14.5	-24.1	0	0	0	113.9	Y148 W259 R266 L375 C377	Y148-P262 HydrophobicContact CE1-CB 3.83Å; Y148-P262 HydrophobicContact CE2-CB 4.5Å; Y148-P262 HydrophobicContact CE2-CG 4.42Å; W259-P262 WeakPolarHBondContact O-CD 3.22Å; W259-P262 WeakPolarHBondContact O-CG 3.17Å; P262-R266 WeakPolarHBondContact O-CG 3.15Å; P262-R266 PolarHBondContact O-N 2.73Å; P262-R266 VanDerWaalsContact O-N 3.16Å; P262-L375 HydrophobicContact CB-CD1 4.47Å; P262-C377 HydrophobicContact CB-CB 4.25Å; P262-C377 HydrophobicContact CG-CB 4.3Å
263	V	98.3	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-50.4	178.7	173.5	0	0	0	0	110.6	W259 A260 E261 A265 R266 I267 I275 V335 L375 S378	W259-V263 HydrophobicContact CE3-CG2 4.26Å; W259-V263 HydrophobicContact CZ3-CG2 4.36Å; W259-V263 WeakPolarHBondContact O-CG2 3.45Å; A260-V263 WeakPolarHBondContact O-CB 3.46Å; A260-V263 PolarHBondContact O-N 3.23Å; A260-V263 VanDerWaalsContact O-N 3.09Å; E261-V263 VanDerWaalsContact C-N 3.35Å; E261-V263 PolarHBondContact O-N 3.37Å; V263-A265 PolarHBondContact O-N 2.77Å; V263-R266 PolarHBondContact O-N 2.77Å; V263-I267 HydrophobicContact CG1-CD1 3.99Å; V263-I267 WeakPolarHBondContact O-CG1 3.2Å; V263-I267 PolarHBondContact O-N 3.33Å; V263-I275 HydrophobicContact CB-CG2 4.13Å; V263-I275 HydrophobicContact CG1-CB 4.04Å; V263-I275 HydrophobicContact CG1-CG2 3.79Å; V263-I275 HydrophobicContact CG2-CG2 3.84Å; V263-V335 HydrophobicContact CG1-CB 3.63Å; V263-V335 HydrophobicContact CG1-CG1 3.61Å; V263-V335 HydrophobicContact CG1-CG2 3.97Å; V263-L375 HydrophobicContact CG2-CD1 4.3Å; V263-S378 VanDerWaalsContact CG2-OG 3.31Å; V263-S378 WeakPolarHBondContact CG2-OG 3.4Å
264	L	98.6	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.5	-33.5	-176.8	-64.2	168	0	0	0	111.9	L152 P153 I155 L184 V245 A260 K268	L152-L264 HydrophobicContact CB-CB 4.15Å; L152-L264 HydrophobicContact CD1-CB 4.22Å; P153-L264 HydrophobicContact CG-CB 4.39Å; P153-L264 HydrophobicContact CG-CD2 4.22Å; I155-L264 HydrophobicContact CB-CD2 4.11Å; I155-L264 HydrophobicContact CD1-CD2 4.38Å; I155-L264 HydrophobicContact CG2-CD1 4.42Å; L184-L264 HydrophobicContact CB-CD1 4.1Å; L184-L264 HydrophobicContact CD1-CD1 3.97Å; L184-L264 HydrophobicContact CG-CD1 4.44Å; V245-L264 HydrophobicContact CB-CD2 3.86Å; V245-L264 HydrophobicContact CG1-CD2 3.77Å; V245-L264 HydrophobicContact CG2-CD2 3.84Å; A260-L264 HydrophobicContact CB-CD1 4.15Å; A260-L264 WeakPolarHBondContact O-CB 3.1Å; A260-L264 VanDerWaalsContact O-CG 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.16Å; L264-K268 VanDerWaalsContact O-CB 3.28Å; L264-K268 WeakPolarHBondContact O-CB 3.46Å; L264-K268 PolarHBondContact O-N 3.37Å
265	A	98	Very high	97.1	Very high	12 Å²	12	30.7 Å²	30.7	10%	0.099	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-47.4	171	0	0	0	0	0	111.7	Y148 L152 E261 V263 I267 K268 E269	Y148-A265 HydrophobicContact CD1-CB 3.91Å; L152-A265 HydrophobicContact CD2-CB 4.05Å; E261-A265 VanDerWaalsContact O-CB 3.28Å; E261-A265 WeakPolarHBondContact O-CB 3.3Å; E261-A265 PolarHBondContact O-N 3.11Å; V263-A265 PolarHBondContact O-N 2.77Å; A265-I267 VanDerWaalsContact C-N 3.34Å; A265-I267 PolarHBondContact O-N 3Å; A265-K268 PolarHBondContact O-N 2.96Å; A265-E269 WeakPolarHBondContact O-CG 3.26Å; A265-E269 PolarHBondContact O-N 3.39Å
266	R	97.7	Very high	97.1	Very high	54 Å²	54	30.7 Å²	30.7	20%	0.204	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-33.3	179.5	-68.4	-64	-67.4	179.1	-11.9	113.3	P262 V263 E269 N270 R273 I275 E373 L375	P262-R266 WeakPolarHBondContact O-CG 3.15Å; P262-R266 PolarHBondContact O-N 2.73Å; P262-R266 VanDerWaalsContact O-N 3.16Å; V263-R266 PolarHBondContact O-N 2.77Å; R266-E269 IonicContact CZ-OE2 3.56Å; R266-E269 IonicContact NE-OE2 2.67Å; R266-E269 IonicContact NH1-OE1 3.22Å; R266-E269 IonicContact NH1-OE2 3.64Å; R266-E269 PolarHBondContact NH1-OE2 3.37Å; R266-N270 PolarHBondContact O-N 3.08Å; R266-R273 VanDerWaalsContact CZ-CZ 3.48Å; R266-R273 WeakPolarHBondContact O-CD 3.45Å; R266-R273 PolarHBondContact O-NH1 3.5Å; R266-I275 HydrophobicContact CB-CD1 3.83Å; R266-I275 HydrophobicContact CB-CG1 4.19Å; R266-E373 IonicContact CZ-OE1 2.63Å; R266-E373 IonicContact CZ-OE2 2.79Å; R266-E373 VanDerWaalsContact CZ-OE2 3.26Å; R266-E373 IonicContact NE-OE2 2.85Å; R266-E373 PolarHBondContact NE-OE2 3.12Å; R266-E373 IonicContact NH2-OE1 3.96Å; R266-E373 PolarHBondContact NH2-OE1 3.05Å; R266-E373 IonicContact NH2-OE2 3.6Å; R266-E373 PolarHBondContact NH2-OE2 3.37Å; R266-L375 HydrophobicContact CB-CD1 4.31Å; R266-L375 HydrophobicContact CG-CD1 3.84Å; R266-L375 HydrophobicContact CG-CD2 4.17Å
267	I	98.5	Very high	97.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-74.1	-39.4	174.2	-64.2	171.4	0	0	0	111.1	V245 V263 A265 E269 N270 H271 I275 V335 N337	V245-I267 HydrophobicContact CG1-CD1 3.83Å; V245-I267 HydrophobicContact CG2-CG2 4.02Å; V263-I267 HydrophobicContact CG1-CD1 3.99Å; V263-I267 WeakPolarHBondContact O-CG1 3.2Å; V263-I267 PolarHBondContact O-N 3.33Å; A265-I267 VanDerWaalsContact C-N 3.34Å; A265-I267 PolarHBondContact O-N 3Å; I267-E269 VanDerWaalsContact C-N 3.33Å; I267-E269 PolarHBondContact O-N 3.43Å; I267-N270 CarbonylContact O-C 3.54Å; I267-N270 PolarHBondContact O-N 3.34Å; I267-N270 VanDerWaalsContact O-N 3.14Å; I267-H271 WeakPolarHBondContact O-CA 3.46Å; I267-H271 PolarHBondContact O-N 3Å; I267-H271 VanDerWaalsContact O-N 3.1Å; I267-I275 HydrophobicContact CD1-CB 4.45Å; I267-I275 HydrophobicContact CD1-CG1 4.14Å; I267-I275 HydrophobicContact CG1-CG1 3.67Å; I267-V335 HydrophobicContact CD1-CB 4.28Å; I267-V335 HydrophobicContact CD1-CG1 3.76Å; I267-N337 HydrophobicContact CG2-CB 3.98Å
268	K	97.9	Very high	97.5	Very high	92 Å²	92	28.6 Å²	28.6	40%	0.4	14%	0.138	S	C	.	.	H	α-helix	trans	-62.4	-37.4	175.2	-178.6	177.4	175.6	175.4	0	112.8	D151 L152 P153 L264 A265 N270	D151-K268 PolarHBondContact O-NZ 3.43Å; D151-K268 IonicContact OD1-NZ 2.75Å; D151-K268 PolarHBondContact OD1-NZ 3.02Å; D151-K268 IonicContact OD2-NZ 3.64Å; D151-K268 PolarHBondContact OD2-NZ 3.26Å; L152-K268 HydrophobicContact CD2-CD 4.16Å; P153-K268 HydrophobicContact CG-CB 4.5Å; L264-K268 VanDerWaalsContact O-CB 3.28Å; L264-K268 WeakPolarHBondContact O-CB 3.46Å; L264-K268 PolarHBondContact O-N 3.37Å; A265-K268 PolarHBondContact O-N 2.96Å; K268-N270 VanDerWaalsContact C-N 3.32Å; K268-N270 PolarHBondContact O-N 3.08Å
269	E	97.6	Very high	97.6	Very high	116 Å²	116	27 Å²	27	54%	0.542	13%	0.125	S	C	.	.	H	α-helix	trans	-62.5	-35.1	173.1	-77.6	171.7	-150.6	0	0	113.3	A265 R266 I267 R273	A265-E269 WeakPolarHBondContact O-CG 3.26Å; A265-E269 PolarHBondContact O-N 3.39Å; R266-E269 IonicContact CZ-OE2 3.56Å; R266-E269 IonicContact NE-OE2 2.67Å; R266-E269 IonicContact NH1-OE1 3.22Å; R266-E269 IonicContact NH1-OE2 3.64Å; R266-E269 PolarHBondContact NH1-OE2 3.37Å; I267-E269 VanDerWaalsContact C-N 3.33Å; I267-E269 PolarHBondContact O-N 3.43Å; E269-R273 IonicContact OE2-CZ 3.28Å; E269-R273 IonicContact OE2-NH1 2.95Å; E269-R273 PolarHBondContact OE2-NH1 3.25Å; E269-R273 IonicContact OE2-NH2 2.68Å; E269-R273 PolarHBondContact OE2-NH2 2.8Å
270	N	98.3	Very high	97.6	Very high	63 Å²	63	27 Å²	27	34%	0.337	13%	0.126	S	C	.	.			trans	-159.5	108.4	175.8	177.5	1	0	0	0	110.5	R266 I267 K268 K272 R273	R266-N270 PolarHBondContact O-N 3.08Å; I267-N270 CarbonylContact O-C 3.54Å; I267-N270 PolarHBondContact O-N 3.34Å; I267-N270 VanDerWaalsContact O-N 3.14Å; K268-N270 VanDerWaalsContact C-N 3.32Å; K268-N270 PolarHBondContact O-N 3.08Å; N270-K272 PolarHBondContact O-N 3.12Å; N270-K272 PolarHBondContact OD1-N 2.73Å; N270-R273 HydrophobicContact CB-CG 4.14Å; N270-R273 PolarHBondContact O-N 3Å; N270-R273 VanDerWaalsContact O-N 3.12Å
271	H	97.9	Very high	97.5	Very high	74 Å²	74	28 Å²	28	34%	0.343	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.1	-177.5	79.1	126	0	0	0	114.5	I267 R273 N337 Y340	I267-H271 WeakPolarHBondContact O-CA 3.46Å; I267-H271 PolarHBondContact O-N 3Å; I267-H271 VanDerWaalsContact O-N 3.1Å; H271-R273 VanDerWaalsContact C-N 3.29Å; H271-R273 PolarHBondContact O-N 2.83Å; H271-N337 HydrophobicContact CB-CB 3.99Å; H271-N337 WeakPolarHBondContact O-CB 3.45Å; H271-Y340 WeakPolarHBondContact O-CD1 3.46Å
272	K	98.4	Very high	97.5	Very high	66 Å²	66	26.8 Å²	26.8	29%	0.287	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	6.8	178.1	-52.6	-151.7	176.3	-138	0	114.4	N270 Y340 E343 G370 S371	N270-K272 PolarHBondContact O-N 3.12Å; N270-K272 PolarHBondContact OD1-N 2.73Å; K272-Y340 VanDerWaalsContact CA-CE1 3.46Å; K272-Y340 HydrophobicContact CB-CD1 4.44Å; K272-Y340 HydrophobicContact CB-CD2 4.31Å; K272-Y340 HydrophobicContact CB-CE1 4.04Å; K272-Y340 HydrophobicContact CB-CE2 3.91Å; K272-Y340 HydrophobicContact CD-CD2 4.01Å; K272-Y340 HydrophobicContact CD-CE2 3.69Å; K272-Y340 HydrophobicContact CG-CD2 3.86Å; K272-Y340 HydrophobicContact CG-CE2 3.78Å; K272-Y340 HydrophobicContact CG-CG 4.32Å; K272-Y340 WeakPolarHBondContact O-CE1 3.49Å; K272-E343 IonicContact NZ-OE2 3.27Å; K272-E343 PolarHBondContact NZ-OE2 3.17Å; K272-G370 VanDerWaalsContact O-CA 3.26Å; K272-G370 WeakPolarHBondContact O-CA 3.47Å; K272-S371 PolarHBondContact O-N 2.86Å
273	R	98.3	Very high	97.4	Very high	35 Å²	35	29.1 Å²	29.1	13%	0.132	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.8	169.1	-65.3	-172.8	178.1	127.9	-2.6	111	R266 E269 N270 H271 I275 S371 E373	R266-R273 VanDerWaalsContact CZ-CZ 3.48Å; R266-R273 WeakPolarHBondContact O-CD 3.45Å; R266-R273 PolarHBondContact O-NH1 3.5Å; E269-R273 IonicContact OE2-CZ 3.28Å; E269-R273 IonicContact OE2-NH1 2.95Å; E269-R273 PolarHBondContact OE2-NH1 3.25Å; E269-R273 IonicContact OE2-NH2 2.68Å; E269-R273 PolarHBondContact OE2-NH2 2.8Å; N270-R273 HydrophobicContact CB-CG 4.14Å; N270-R273 PolarHBondContact O-N 3Å; N270-R273 VanDerWaalsContact O-N 3.12Å; H271-R273 VanDerWaalsContact C-N 3.29Å; H271-R273 PolarHBondContact O-N 2.83Å; R273-I275 HydrophobicContact CB-CD1 3.95Å; R273-I275 HydrophobicContact CB-CG1 4.38Å; R273-S371 WeakPolarHBondContact CA-O 3.37Å; R273-E373 WeakPolarHBondContact CD-OE1 3.34Å; R273-E373 IonicContact CZ-OE1 3.62Å; R273-E373 IonicContact NE-OE1 2.63Å; R273-E373 PolarHBondContact NE-OE1 2.74Å; R273-E373 IonicContact NE-OE2 2.63Å
274	I	98.3	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.5	158.3	-57	-161.6	0	0	0	108.3	F334 A336 Y340 L344 L361 V365 S371 M372 E373	I274-F334 HydrophobicContact CG2-CB 3.92Å; I274-F334 HydrophobicContact CG2-CD2 3.79Å; I274-F334 HydrophobicContact CG2-CG 4.3Å; I274-A336 HydrophobicContact CD1-CB 4.13Å; I274-A336 HydrophobicContact CG1-CB 3.94Å; I274-A336 HydrophobicContact CG2-CB 4.44Å; I274-Y340 HydrophobicContact CG1-CE1 4.43Å; I274-L344 HydrophobicContact CD1-CD1 4.32Å; I274-L361 HydrophobicContact CD1-CD1 4.17Å; I274-L361 HydrophobicContact CD1-CD2 4.17Å; I274-L361 HydrophobicContact CD1-CG 4.28Å; I274-V365 HydrophobicContact CD1-CG2 3.55Å; I274-V365 HydrophobicContact CG1-CG2 4.05Å; I274-S371 PolarHBondContact N-O 2.95Å; I274-M372 HydrophobicContact CB-CE 3.79Å; I274-M372 HydrophobicContact CB-CG 4.44Å; I274-M372 HydrophobicContact CG2-CE 3.54Å; I274-M372 WeakPolarHBondContact O-CA 3.36Å; I274-E373 PolarHBondContact O-N 3.02Å
275	I	98.2	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.4	-172.8	-61.4	-56.7	0	0	0	110.2	V263 R266 I267 R273 V335 E373 L375	V263-I275 HydrophobicContact CB-CG2 4.13Å; V263-I275 HydrophobicContact CG1-CB 4.04Å; V263-I275 HydrophobicContact CG1-CG2 3.79Å; V263-I275 HydrophobicContact CG2-CG2 3.84Å; R266-I275 HydrophobicContact CB-CD1 3.83Å; R266-I275 HydrophobicContact CB-CG1 4.19Å; I267-I275 HydrophobicContact CD1-CB 4.45Å; I267-I275 HydrophobicContact CD1-CG1 4.14Å; I267-I275 HydrophobicContact CG1-CG1 3.67Å; R273-I275 HydrophobicContact CB-CD1 3.95Å; R273-I275 HydrophobicContact CB-CG1 4.38Å; I275-V335 PolarHBondContact N-O 3.47Å; I275-V335 PolarHBondContact O-N 2.66Å; I275-E373 HydrophobicContact CD1-CB 3.94Å; I275-L375 HydrophobicContact CG2-CD1 3.4Å; I275-L375 VanDerWaalsContact CG2-CD1 3.4Å; I275-L375 HydrophobicContact CG2-CG 3.74Å
276	L	97.5	Very high	97	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125	175.2	-46.8	179.5	0	0	0	108.9	H297 T326 M329 F334 M372 E373 V374 L375	L276-H297 VanDerWaalsContact CD1-ND1 3.33Å; L276-H297 WeakPolarHBondContact CD1-ND1 3.23Å; L276-T326 HydrophobicContact CD1-CG2 3.92Å; L276-M329 HydrophobicContact CD1-CB 3.5Å; L276-M329 VanDerWaalsContact CD1-CB 3.5Å; L276-M329 HydrophobicContact CD2-CB 3.65Å; L276-M329 HydrophobicContact CG-CB 4.23Å; L276-F334 HydrophobicContact CD2-CB 3.51Å; L276-M372 HydrophobicContact CD2-CE 4.24Å; L276-E373 PolarHBondContact N-O 2.99Å; L276-V374 HydrophobicContact CB-CG2 4.12Å; L276-V374 HydrophobicContact CD1-CG2 3.96Å; L276-V374 CarbonylContact O-C 3.55Å; L276-V374 WeakPolarHBondContact O-CA 3Å; L276-L375 PolarHBondContact O-N 2.99Å
277	P	96.7	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	147.9	160.4	-22.7	34.8	0	0	0	110.5	F249 W259 I279 S378 V380	F249-P277 HydrophobicContact CE1-CG 4.26Å; F249-P277 HydrophobicContact CZ-CG 4.41Å; W259-P277 HydrophobicContact CE3-CG 4.46Å; W259-P277 HydrophobicContact CZ3-CG 4.5Å; P277-I279 HydrophobicContact CB-CD1 4.45Å; P277-I279 PolarHBondContact O-N 2.8Å; P277-S378 CarbonylContact C-O 3.49Å; P277-S378 VanDerWaalsContact CA-O 3.31Å; P277-S378 WeakPolarHBondContact CA-O 3.3Å; P277-S378 WeakPolarHBondContact CB-OG 3.48Å; P277-V380 HydrophobicContact CB-CB 4.26Å; P277-V380 HydrophobicContact CB-CG2 3.86Å; P277-V380 HydrophobicContact CG-CG2 4.05Å
278	S	95.7	Very high	96.9	Very high	7 Å²	7	35.3 Å²	35.3	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.7	160.5	-64.8	0	0	0	0	108.9	V374 L375 P376 S378 R379 V380	S278-V374 WeakPolarHBondContact OG-CG1 3.42Å; S278-L375 PolarHBondContact OG-O 2.66Å; S278-P376 WeakPolarHBondContact OG-CA 3.28Å; S278-S378 PolarHBondContact N-O 2.96Å; S278-R379 WeakPolarHBondContact O-CA 3.34Å; S278-V380 PolarHBondContact O-N 3.16Å
279	I	94.8	Very high	96.8	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.067	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.1	-176.1	-52.5	-56.5	0	0	0	109.5	P277 Y292 I330 S333 V380 H382	P277-I279 HydrophobicContact CB-CD1 4.45Å; P277-I279 PolarHBondContact O-N 2.8Å; I279-Y292 VanDerWaalsContact O-CB 3.27Å; I279-Y292 WeakPolarHBondContact O-CB 3.47Å; I279-Y292 WeakPolarHBondContact O-CD2 3.26Å; I279-I330 HydrophobicContact CG1-CG2 4.12Å; I279-S333 WeakPolarHBondContact CD1-OG 3.5Å; I279-V380 VanDerWaalsContact CA-O 3.28Å; I279-V380 WeakPolarHBondContact CA-O 3.36Å; I279-H382 HydrophobicContact CG2-CB 3.61Å
280	D	95.8	Very high	96.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	154.5	170.6	-76.3	-43.9	0	0	0	111.1	H138 V289 R291 Y292 R379 V380 A381 H382	H138-D280 IonicContact CD2-OD2 2.76Å; D280-V289 HydrophobicContact CB-CG1 4.39Å; D280-R291 VanDerWaalsContact OD1-CA 3.3Å; D280-R291 WeakPolarHBondContact OD1-CA 3.5Å; D280-Y292 PolarHBondContact OD1-N 2.75Å; D280-R379 IonicContact OD1-CZ 3.4Å; D280-R379 IonicContact OD1-NE 2.81Å; D280-R379 PolarHBondContact OD1-NE 2.91Å; D280-R379 IonicContact OD1-NH2 3.56Å; D280-R379 PolarHBondContact OD1-NH2 2.72Å; D280-R379 IonicContact OD2-CZ 2.73Å; D280-R379 IonicContact OD2-NE 3.51Å; D280-R379 PolarHBondContact OD2-NE 3.42Å; D280-R379 IonicContact OD2-NH2 2.73Å; D280-V380 PolarHBondContact N-O 2.77Å; D280-A381 HydrophobicContact CB-CB 4.09Å; D280-A381 CarbonylContact O-C 3.57Å; D280-A381 VanDerWaalsContact O-CA 3.29Å; D280-A381 WeakPolarHBondContact O-CA 3.44Å; D280-H382 PolarHBondContact O-N 3.37Å
281	N	95.4	Very high	96.6	Very high	21 Å²	21	31 Å²	31	11%	0.112	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121	-175.7	-179.7	36.1	0	0	0	111	V289 E290 Y292 A384	N281-V289 CarbonylContact O-C 3.23Å; N281-V289 WeakPolarHBondContact O-CA 3.19Å; N281-E290 HydrophobicContact CB-CB 4.24Å; N281-E290 PolarHBondContact N-O 2.97Å; N281-E290 PolarHBondContact ND2-OE2 3.3Å; N281-E290 PolarHBondContact O-N 3.49Å; N281-Y292 HydrophobicContact CB-CD2 3.97Å; N281-Y292 HydrophobicContact CB-CE2 3.69Å; N281-A384 WeakPolarHBondContact OD1-CB 3.48Å
282	I	97.4	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.3	161.1	-51	169.8	0	0	0	107.5	E254 H284 F287 E288 V289 A381 H382 I383 A384	E254-I282 HydrophobicContact CB-CD1 4.18Å; E254-I282 HydrophobicContact CG-CD1 3.96Å; I282-H284 PolarHBondContact O-N 3.17Å; I282-F287 HydrophobicContact CG2-CB 4.35Å; I282-F287 HydrophobicContact CG2-CD1 3.84Å; I282-F287 HydrophobicContact CG2-CE1 4.43Å; I282-F287 HydrophobicContact CG2-CG 4.28Å; I282-E288 CarbonylContact C-O 3.6Å; I282-E288 WeakPolarHBondContact CA-O 3.49Å; I282-V289 HydrophobicContact CG1-CG2 4.43Å; I282-A381 HydrophobicContact CD1-CB 3.82Å; I282-A381 HydrophobicContact CG1-CB 3.5Å; I282-A381 VanDerWaalsContact CG1-CB 3.5Å; I282-H382 PolarHBondContact N-O 2.88Å; I282-I383 HydrophobicContact CB-CG1 3.99Å; I282-I383 HydrophobicContact CD1-CG1 3.93Å; I282-I383 HydrophobicContact CG2-CG1 4.07Å; I282-A384 PolarHBondContact O-N 3.23Å
283	K	96.6	Very high	95.8	Very high	55 Å²	55	34.3 Å²	34.3	24%	0.239	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	126.3	177.7	-83.8	-167	176	131.1	0	111.3	D285 T286 F287 E288 E290	K283-D285 WeakPolarHBondContact CB-OD1 3.46Å; K283-D285 PolarHBondContact O-N 2.73Å; K283-T286 WeakPolarHBondContact CB-OG1 3.34Å; K283-F287 VanDerWaalsContact O-CA 3.24Å; K283-F287 WeakPolarHBondContact O-CA 3.33Å; K283-F287 PolarHBondContact O-N 2.8Å; K283-E288 HydrophobicContact CB-CB 4.24Å; K283-E288 HydrophobicContact CD-CB 4.17Å; K283-E288 HydrophobicContact CG-CB 4.36Å; K283-E288 PolarHBondContact N-O 2.94Å; K283-E288 IonicContact NZ-OE2 2.71Å; K283-E288 PolarHBondContact NZ-OE2 2.86Å; K283-E290 WeakPolarHBondContact CE-OE1 3.34Å; K283-E290 VanDerWaalsContact CE-OE2 3.27Å; K283-E290 WeakPolarHBondContact CE-OE2 3.07Å; K283-E290 IonicContact NZ-OE1 3.17Å; K283-E290 PolarHBondContact NZ-OE1 3.07Å; K283-E290 IonicContact NZ-OE2 2.66Å
284	H	95.2	Very high	95.5	Very high	54 Å²	54	33 Å²	33	25%	0.25	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	-176.8	65	-96.8	0	0	0	114.3	Y121 N122 I282 I383 A384 M386	Y121-H284 CarbonylContact C-O 3.56Å; Y121-H284 WeakPolarHBondContact CA-O 3.45Å; Y121-H284 WeakPolarHBondContact CB-O 3.18Å; N122-H284 WeakPolarHBondContact CB-O 3.37Å; N122-H284 PolarHBondContact N-O 2.77Å; I282-H284 PolarHBondContact O-N 3.17Å; H284-I383 HydrophobicContact CB-CG2 4.47Å; H284-A384 WeakPolarHBondContact CB-O 3.43Å; H284-A384 PolarHBondContact ND1-O 2.87Å; H284-M386 VanDerWaalsContact CD2-CG 3.4Å; H284-M386 WeakPolarHBondContact CD2-CG 3.43Å; H284-M386 VanDerWaalsContact CE1-CG 3.47Å; H284-M386 WeakPolarHBondContact CE1-CG 3.27Å; H284-M386 WeakPolarHBondContact NE2-CG 3.28Å
285	D	94.7	Very high	95.3	Very high	68 Å²	68	34.3 Å²	34.3	36%	0.364	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-41.7	-173.8	64.8	-22.1	0	0	0	113.1	N122 L125 K283	N122-D285 WeakPolarHBondContact CB-O 3.43Å; N122-D285 PolarHBondContact ND2-O 3.49Å; L125-D285 WeakPolarHBondContact CD2-O 3.44Å; K283-D285 WeakPolarHBondContact CB-OD1 3.46Å; K283-D285 PolarHBondContact O-N 2.73Å
286	T	95.9	Very high	95.1	Very high	26 Å²	26	34.3 Å²	34.3	16%	0.16	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-11.8	-169.4	47.4	0	0	0	0	113.5	P101 A102 K283 E288	P101-T286 HydrophobicContact CB-CG2 4.46Å; A102-T286 WeakPolarHBondContact CB-O 3.46Å; A102-T286 PolarHBondContact N-O 2.78Å; K283-T286 WeakPolarHBondContact CB-OG1 3.34Å; T286-E288 PolarHBondContact O-N 2.95Å
287	F	96.9	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.			trans	57.7	19.3	-172.5	-80.4	-105.1	0	0	0	114.5	Y121 N122 L125 S126 I129 R133 V168 I282 K283 I383	Y121-F287 HydrophobicContact CD2-CE2 4.32Å; Y121-F287 AromaticContact CD2-CZ 3.89Å; Y121-F287 HydrophobicContact CD2-CZ 3.89Å; Y121-F287 HydrophobicContact CE2-CZ 4.38Å; N122-F287 HydrophobicContact CB-CE2 4.31Å; N122-F287 WeakPolarHBondContact O-CE2 3.47Å; L125-F287 HydrophobicContact CD2-CD2 4.34Å; S126-F287 VanDerWaalsContact CB-CZ 3.47Å; S126-F287 WeakPolarHBondContact OG-CE1 3.35Å; S126-F287 WeakPolarHBondContact OG-CZ 3.35Å; I129-F287 HydrophobicContact CD1-CB 3.42Å; I129-F287 VanDerWaalsContact CD1-CB 3.42Å; I129-F287 HydrophobicContact CD1-CD1 4.34Å; I129-F287 HydrophobicContact CD1-CD2 4.33Å; I129-F287 HydrophobicContact CD1-CG 3.79Å; R133-F287 VanDerWaalsContact CZ-O 3.31Å; R133-F287 PolarHBondContact NH1-O 3.39Å; R133-F287 PolarHBondContact NH2-O 3.46Å; V168-F287 HydrophobicContact CG2-CE1 4.39Å; V168-F287 HydrophobicContact CG2-CZ 4.36Å; I282-F287 HydrophobicContact CG2-CB 4.35Å; I282-F287 HydrophobicContact CG2-CD1 3.84Å; I282-F287 HydrophobicContact CG2-CE1 4.43Å; I282-F287 HydrophobicContact CG2-CG 4.28Å; K283-F287 VanDerWaalsContact O-CA 3.24Å; K283-F287 WeakPolarHBondContact O-CA 3.33Å; K283-F287 PolarHBondContact O-N 2.8Å; F287-I383 HydrophobicContact CE1-CD1 3.52Å; F287-I383 HydrophobicContact CE1-CG1 4.37Å; F287-I383 HydrophobicContact CZ-CD1 3.84Å
288	E	97	Very high	94.8	Very high	50 Å²	50	34.5 Å²	34.5	23%	0.234	16%	0.162	C	C	.	.			trans	-58.9	142	166.9	-173.7	170.2	-140.7	0	0	110.8	G99 P101 I282 K283 T286 E290	G99-E288 CarbonylContact O-C 3.36Å; G99-E288 WeakPolarHBondContact O-CA 3.4Å; P101-E288 HydrophobicContact CB-CB 3.98Å; P101-E288 HydrophobicContact CB-CG 4.31Å; P101-E288 WeakPolarHBondContact CD-OE1 3.42Å; P101-E288 HydrophobicContact CG-CG 4.48Å; I282-E288 CarbonylContact C-O 3.6Å; I282-E288 WeakPolarHBondContact CA-O 3.49Å; K283-E288 HydrophobicContact CB-CB 4.24Å; K283-E288 HydrophobicContact CD-CB 4.17Å; K283-E288 HydrophobicContact CG-CB 4.36Å; K283-E288 PolarHBondContact N-O 2.94Å; K283-E288 IonicContact NZ-OE2 2.71Å; K283-E288 PolarHBondContact NZ-OE2 2.86Å; T286-E288 PolarHBondContact O-N 2.95Å; E288-E290 HydrophobicContact CG-CG 4.28Å
289	V	97.1	Very high	94.8	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.067	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	110.2	173.9	-177.7	0	0	0	0	108.8	G99 I135 P136 D280 N281 I282 A381	G99-V289 PolarHBondContact O-N 2.8Å; I135-V289 HydrophobicContact CB-CG2 4.29Å; I135-V289 HydrophobicContact CG2-CG2 3.98Å; P136-V289 HydrophobicContact CG-CB 4.05Å; P136-V289 HydrophobicContact CG-CG1 3.95Å; D280-V289 HydrophobicContact CB-CG1 4.39Å; N281-V289 CarbonylContact O-C 3.23Å; N281-V289 WeakPolarHBondContact O-CA 3.19Å; I282-V289 HydrophobicContact CG1-CG2 4.43Å; V289-A381 HydrophobicContact CG1-CB 3.98Å
290	E	95.9	Very high	94.7	Very high	73 Å²	73	35 Å²	35	34%	0.341	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.8	176.5	-58.4	176.7	123.4	0	0	111.4	N281 K283 E288 Y292	N281-E290 HydrophobicContact CB-CB 4.24Å; N281-E290 PolarHBondContact N-O 2.97Å; N281-E290 PolarHBondContact ND2-OE2 3.3Å; N281-E290 PolarHBondContact O-N 3.49Å; K283-E290 WeakPolarHBondContact CE-OE1 3.34Å; K283-E290 VanDerWaalsContact CE-OE2 3.27Å; K283-E290 WeakPolarHBondContact CE-OE2 3.07Å; K283-E290 IonicContact NZ-OE1 3.17Å; K283-E290 PolarHBondContact NZ-OE1 3.07Å; K283-E290 IonicContact NZ-OE2 2.66Å; E288-E290 HydrophobicContact CG-CG 4.28Å; E290-Y292 PolarHBondContact O-N 2.79Å
291	R	94.3	Very high	94.6	Very high	97 Å²	97	35 Å²	35	37%	0.366	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-69.7	117.9	174.1	-175.9	169.7	167.3	-84.7	-19.1	111.3	H138 D280 E293	H138-R291 HydrophobicContact CB-CB 4.21Å; H138-R291 HydrophobicContact CB-CG 3.92Å; H138-R291 PolarHBondContact NE2-N 3.43Å; D280-R291 VanDerWaalsContact OD1-CA 3.3Å; D280-R291 WeakPolarHBondContact OD1-CA 3.5Å; R291-E293 IonicContact CZ-OE1 2.82Å; R291-E293 IonicContact CZ-OE2 2.81Å; R291-E293 IonicContact NH1-OE1 3.69Å; R291-E293 PolarHBondContact NH1-OE1 3.36Å; R291-E293 IonicContact NH1-OE2 3.7Å; R291-E293 PolarHBondContact NH1-OE2 3.46Å; R291-E293 IonicContact NH2-OE1 3.63Å; R291-E293 IonicContact NH2-OE2 3.57Å; R291-E293 PolarHBondContact NH2-OE2 2.81Å
292	Y	90.6	Very high	94.5	Very high	99 Å²	99	36.7 Å²	36.7	39%	0.388	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-81	145.1	162.8	-94.9	-51.1	0	0	0	110.9	I279 D280 N281 E290 R379	I279-Y292 VanDerWaalsContact O-CB 3.27Å; I279-Y292 WeakPolarHBondContact O-CB 3.47Å; I279-Y292 WeakPolarHBondContact O-CD2 3.26Å; D280-Y292 PolarHBondContact OD1-N 2.75Å; N281-Y292 HydrophobicContact CB-CD2 3.97Å; N281-Y292 HydrophobicContact CB-CE2 3.69Å; E290-Y292 PolarHBondContact O-N 2.79Å; Y292-R379 PolarHBondContact O-NH2 3.26Å
293	E	90.7	Very high	94.4	Very high	110 Å²	110	36.8 Å²	36.8	51%	0.514	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-72.8	147.7	176.4	-76.6	-60.9	165.4	0	0	112.8	R291 S295	R291-E293 IonicContact CZ-OE1 2.82Å; R291-E293 IonicContact CZ-OE2 2.81Å; R291-E293 IonicContact NH1-OE1 3.69Å; R291-E293 PolarHBondContact NH1-OE1 3.36Å; R291-E293 IonicContact NH1-OE2 3.7Å; R291-E293 PolarHBondContact NH1-OE2 3.46Å; R291-E293 IonicContact NH2-OE1 3.63Å; R291-E293 IonicContact NH2-OE2 3.57Å; R291-E293 PolarHBondContact NH2-OE2 2.81Å; E293-S295 PolarHBondContact O-N 3.06Å; E293-S295 VanDerWaalsContact O-N 3.1Å; E293-S295 PolarHBondContact O-OG 2.77Å
294	N	90.7	Very high	94.1	Very high	6 Å²	6	38 Å²	38	3%	0.032	18%	0.176	C	C	.	.			trans	-63.6	113.4	-176.6	-67.3	-8.1	0	0	0	110	P310 W314 M320 I324 P376 R379	N294-P310 VanDerWaalsContact O-CG 3.27Å; N294-P310 WeakPolarHBondContact O-CG 3.44Å; N294-W314 HydrophobicContact CB-CH2 3.97Å; N294-W314 HydrophobicContact CB-CZ2 4.37Å; N294-M320 PolarHBondContact ND2-O 3.25Å; N294-I324 HydrophobicContact CB-CD1 3.83Å; N294-P376 HydrophobicContact CB-CG 4.5Å; N294-R379 PolarHBondContact OD1-NH1 2.96Å
295	S	93.4	Very high	93.9	Very high	28 Å²	28	37.7 Å²	37.7	20%	0.196	18%	0.179	C	C	.	.			trans	-133.3	156.7	-169.4	-57.6	0	0	0	0	111.3	E293	E293-S295 PolarHBondContact O-N 3.06Å; E293-S295 VanDerWaalsContact O-N 3.1Å; E293-S295 PolarHBondContact O-OG 2.77Å
296	G	94.5	Very high	93.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	171.6	160.8	0	0	0	0	0	111.3	Y307 I308	G296-Y307 WeakPolarHBondContact O-CA 3.41Å; G296-I308 PolarHBondContact N-O 3.13Å; G296-I308 PolarHBondContact O-N 3.12Å
297	H	94.7	Very high	93.5	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.6	174	-49.9	122.8	0	0	0	110.5	L276 Y307 T326 P327 A328 V374	L276-H297 VanDerWaalsContact CD1-ND1 3.33Å; L276-H297 WeakPolarHBondContact CD1-ND1 3.23Å; H297-Y307 AromaticContact CD2-CD1 3.56Å; H297-Y307 AromaticContact CD2-CE1 3.59Å; H297-Y307 AromaticContact NE2-CD1 3.86Å; H297-Y307 AromaticContact NE2-CE1 3.46Å; H297-Y307 WeakPolarHBondContact NE2-CE1 3.49Å; H297-T326 PolarHBondContact N-OG1 2.8Å; H297-T326 PolarHBondContact O-OG1 2.76Å; H297-T326 VanDerWaalsContact O-OG1 3.12Å; H297-P327 WeakPolarHBondContact O-CD 3.37Å; H297-A328 PolarHBondContact O-N 3.25Å; H297-V374 VanDerWaalsContact CE1-CG2 3.48Å; H297-V374 WeakPolarHBondContact CE1-CG2 3.33Å
298	G	94.5	Very high	93.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-162.9	174.7	0	0	0	0	0	111.6	C305 M306 Y458	G298-C305 WeakPolarHBondContact O-CA 3.42Å; G298-M306 PolarHBondContact N-O 3.26Å; G298-M306 PolarHBondContact O-N 3.38Å; G298-Y458 WeakPolarHBondContact CA-OH 3.45Å
299	Y	94.8	Very high	93.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	164	178.4	52.8	-82	0	0	0	112.4	L303 W304 A328 I359 I363 M410 Y453 Y458 M461 S521	Y299-L303 HydrophobicContact CD2-CD2 3.78Å; Y299-L303 HydrophobicContact CE2-CD2 3.96Å; Y299-W304 WeakPolarHBondContact CA-O 3.42Å; Y299-W304 VanDerWaalsContact CB-O 3.26Å; Y299-W304 WeakPolarHBondContact CB-O 3.49Å; Y299-A328 HydrophobicContact CD1-CB 3.91Å; Y299-A328 HydrophobicContact CE1-CB 4.2Å; Y299-I359 HydrophobicContact CD1-CD1 3.93Å; Y299-I359 HydrophobicContact CD1-CG2 3.69Å; Y299-I359 HydrophobicContact CD2-CG2 3.8Å; Y299-I359 HydrophobicContact CE1-CG2 3.82Å; Y299-I359 HydrophobicContact CE2-CG2 3.92Å; Y299-I359 HydrophobicContact CG-CD1 4.05Å; Y299-I359 HydrophobicContact CG-CG1 4.37Å; Y299-I359 HydrophobicContact CG-CG2 3.7Å; Y299-I363 HydrophobicContact CE1-CG1 4.38Å; Y299-I363 HydrophobicContact CE2-CD1 4.4Å; Y299-I363 WeakPolarHBondContact OH-CD1 3.36Å; Y299-I363 WeakPolarHBondContact OH-CG1 3.32Å; Y299-M410 HydrophobicContact CE2-CE 4.19Å; Y299-Y453 HydrophobicContact CE1-CE1 4.44Å; Y299-Y453 WeakPolarHBondContact CE1-OH 3.33Å; Y299-Y453 WeakPolarHBondContact OH-CE1 3.34Å; Y299-Y458 HydrophobicContact CD1-CD1 4.39Å; Y299-Y458 AromaticContact CD1-CE1 3.94Å; Y299-Y458 HydrophobicContact CD1-CE1 3.94Å; Y299-Y458 AromaticContact CE1-CD1 3.93Å; Y299-Y458 HydrophobicContact CE1-CD1 3.93Å; Y299-Y458 AromaticContact CE1-CE1 3.94Å; Y299-Y458 HydrophobicContact CE1-CE1 3.94Å; Y299-Y458 HydrophobicContact CG-CE1 4.33Å; Y299-Y458 PolarHBondContact N-OH 2.83Å; Y299-Y458 VanDerWaalsContact N-OH 3.11Å; Y299-Y458 PolarHBondContact O-OH 3.38Å; Y299-Y458 VanDerWaalsContact O-OH 3.11Å; Y299-M461 HydrophobicContact CD2-CE 3.6Å; Y299-M461 HydrophobicContact CD2-SD 4.49Å; Y299-M461 HydrophobicContact CE2-CE 3.45Å; Y299-M461 VanDerWaalsContact CE2-CE 3.45Å; Y299-M461 HydrophobicContact CE2-SD 3.91Å; Y299-S521 PolarHBondContact O-OG 3.31Å
300	N	93.6	Very high	92.9	Very high	30 Å²	30	45.3 Å²	45.3	16%	0.16	21%	0.213	C	C	.	.			trans	-96.8	174.5	166.8	79.7	-10.6	0	0	0	111.3	E302 L303 W304	N300-E302 PolarHBondContact ND2-OE2 2.81Å; N300-E302 PolarHBondContact O-N 2.92Å; N300-E302 WeakPolarHBondContact OD1-CB 3.47Å; N300-E302 PolarHBondContact OD1-N 2.83Å; N300-L303 VanDerWaalsContact O-CA 3.3Å; N300-L303 WeakPolarHBondContact O-CA 3.49Å; N300-L303 PolarHBondContact O-N 3.23Å; N300-L303 PolarHBondContact OD1-N 3.44Å; N300-W304 PolarHBondContact N-O 3.45Å; N300-W304 VanDerWaalsContact N-O 3.16Å; N300-W304 PolarHBondContact OD1-N 2.95Å; N300-W304 VanDerWaalsContact OD1-N 3.12Å
301	W	93.8	Very high	92.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.5	-177.9	-70.3	106.6	0	0	0	115.3	L303 M410 Y413 N416 V417 A420 F450 L454 M461 R462 Y464 L519	W301-L303 PolarHBondContact O-N 2.77Å; W301-M410 HydrophobicContact CZ3-SD 4.42Å; W301-Y413 HydrophobicContact CH2-CD1 4.1Å; W301-Y413 HydrophobicContact CH2-CG 4.43Å; W301-N416 HydrophobicContact CB-CB 4.46Å; W301-N416 HydrophobicContact CD2-CB 3.39Å; W301-N416 HydrophobicContact CE3-CB 3.43Å; W301-N416 VanDerWaalsContact CE3-CB 3.43Å; W301-N416 HydrophobicContact CG-CB 3.89Å; W301-N416 HydrophobicContact CH2-CB 4.12Å; W301-N416 WeakPolarHBondContact CH2-ND2 3.39Å; W301-N416 HydrophobicContact CZ2-CB 4.11Å; W301-N416 VanDerWaalsContact CZ2-ND2 3.26Å; W301-N416 WeakPolarHBondContact CZ2-ND2 3.05Å; W301-N416 HydrophobicContact CZ3-CB 3.8Å; W301-V417 HydrophobicContact CE3-CG2 4.15Å; W301-V417 WeakPolarHBondContact O-CA 3.35Å; W301-A420 HydrophobicContact CB-CB 3.74Å; W301-F450 AromaticContact CH2-CE1 3.92Å; W301-F450 HydrophobicContact CH2-CE1 3.92Å; W301-F450 AromaticContact CZ3-CE1 3.99Å; W301-F450 HydrophobicContact CZ3-CE1 3.99Å; W301-L454 HydrophobicContact CH2-CD1 4.27Å; W301-L454 HydrophobicContact CH2-CD2 4.37Å; W301-M461 HydrophobicContact CD2-CE 3.51Å; W301-M461 HydrophobicContact CD2-SD 4.47Å; W301-M461 HydrophobicContact CE3-CE 3.83Å; W301-M461 HydrophobicContact CG-CE 3.94Å; W301-M461 HydrophobicContact CH2-CE 4.26Å; W301-M461 HydrophobicContact CH2-SD 4.06Å; W301-M461 HydrophobicContact CZ2-CE 3.96Å; W301-M461 HydrophobicContact CZ2-CG 4.13Å; W301-M461 HydrophobicContact CZ2-SD 3.82Å; W301-M461 HydrophobicContact CZ3-CE 4.19Å; W301-M461 HydrophobicContact CZ3-SD 4.46Å; W301-R462 PolarHBondContact NE1-O 3.01Å; W301-Y464 AromaticContact CD1-CD2 3.93Å; W301-Y464 AromaticContact CD1-CE2 3.78Å; W301-Y464 AromaticContact NE1-CD2 3.92Å; W301-Y464 AromaticContact NE1-CE2 3.96Å; W301-L519 HydrophobicContact CB-CD1 4.4Å
302	E	92.4	Very high	92.6	Very high	56 Å²	56	46.1 Å²	46.1	26%	0.262	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.4	166	-57.8	170.2	90.1	0	0	112.1	N300 W304 A420 W421	N300-E302 PolarHBondContact ND2-OE2 2.81Å; N300-E302 PolarHBondContact O-N 2.92Å; N300-E302 WeakPolarHBondContact OD1-CB 3.47Å; N300-E302 PolarHBondContact OD1-N 2.83Å; E302-W304 VanDerWaalsContact CB-CD1 3.47Å; E302-W304 HydrophobicContact CB-CG 4.37Å; E302-W304 PolarHBondContact OE1-NE1 2.77Å; E302-A420 HydrophobicContact CG-CB 3.86Å; E302-W421 HydrophobicContact CB-CZ2 4.04Å; E302-W421 WeakPolarHBondContact O-CZ2 3.47Å; E302-W421 PolarHBondContact O-NE1 3.12Å
303	L	94.4	Very high	92.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	23%	0.234	C	C	.	.			trans	73.1	28.3	-173.3	-42.5	-166.5	0	0	0	114.2	Y299 N300 W301 I359 A402 V405 M410 V417	Y299-L303 HydrophobicContact CD2-CD2 3.78Å; Y299-L303 HydrophobicContact CE2-CD2 3.96Å; N300-L303 VanDerWaalsContact O-CA 3.3Å; N300-L303 WeakPolarHBondContact O-CA 3.49Å; N300-L303 PolarHBondContact O-N 3.23Å; N300-L303 PolarHBondContact OD1-N 3.44Å; W301-L303 PolarHBondContact O-N 2.77Å; L303-I359 HydrophobicContact CB-CG2 4.36Å; L303-I359 WeakPolarHBondContact O-CG1 3.43Å; L303-A402 HydrophobicContact CB-CB 4.32Å; L303-A402 HydrophobicContact CD1-CB 3.99Å; L303-A402 HydrophobicContact CG-CB 4.06Å; L303-V405 HydrophobicContact CD1-CB 3.66Å; L303-V405 HydrophobicContact CD1-CG1 3.95Å; L303-V405 HydrophobicContact CD1-CG2 3.97Å; L303-M410 HydrophobicContact CD1-CE 3.81Å; L303-M410 HydrophobicContact CD2-CE 3.63Å; L303-M410 HydrophobicContact CD2-SD 4.33Å; L303-M410 HydrophobicContact CG-CE 4.42Å; L303-V417 HydrophobicContact CD2-CG2 4.2Å
304	W	90.7	Very high	92.8	Very high	81 Å²	81	43.1 Å²	43.1	31%	0.307	21%	0.211	S	C	.	.			trans	-75.3	129.6	164.5	-61	119.1	0	0	0	110.6	Y299 N300 E302 I394 T398 W421	Y299-W304 WeakPolarHBondContact CA-O 3.42Å; Y299-W304 VanDerWaalsContact CB-O 3.26Å; Y299-W304 WeakPolarHBondContact CB-O 3.49Å; N300-W304 PolarHBondContact N-O 3.45Å; N300-W304 VanDerWaalsContact N-O 3.16Å; N300-W304 PolarHBondContact OD1-N 2.95Å; N300-W304 VanDerWaalsContact OD1-N 3.12Å; E302-W304 VanDerWaalsContact CB-CD1 3.47Å; E302-W304 HydrophobicContact CB-CG 4.37Å; E302-W304 PolarHBondContact OE1-NE1 2.77Å; W304-I394 HydrophobicContact CH2-CG2 4.41Å; W304-T398 HydrophobicContact CE3-CG2 4.11Å; W304-T398 HydrophobicContact CH2-CG2 3.66Å; W304-T398 WeakPolarHBondContact CH2-OG1 3.23Å; W304-T398 HydrophobicContact CZ2-CG2 4.13Å; W304-T398 HydrophobicContact CZ3-CG2 3.66Å; W304-W421 AromaticContact CZ2-CH2 3.83Å; W304-W421 HydrophobicContact CZ2-CH2 3.83Å; W304-W421 HydrophobicContact CZ2-CZ2 4.38Å
305	C	91.4	Very high	92.9	Very high	47 Å²	47	49 Å²	49	32%	0.318	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.6	174.3	-166.1	0	0	0	0	111.4	G298 I359	G298-C305 WeakPolarHBondContact O-CA 3.42Å; C305-I359 HydrophobicContact CB-CD1 4.12Å
306	M	91.3	Very high	92.9	Very high	65 Å²	65	52.7 Å²	52.7	32%	0.32	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.2	174.6	61.9	-173.7	-67.7	0	0	110.9	G298 I308 T522	G298-M306 PolarHBondContact N-O 3.26Å; G298-M306 PolarHBondContact O-N 3.38Å; M306-I308 HydrophobicContact CE-CG2 4.24Å; M306-I308 HydrophobicContact CG-CG2 4.07Å; M306-I308 HydrophobicContact SD-CG2 4.48Å; M306-T522 WeakPolarHBondContact CE-OG1 3.33Å
307	Y	91.8	Very high	92.9	Very high	86 Å²	86	58 Å²	58	34%	0.337	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	141.2	163.6	-67.3	-71.8	0	0	0	109.5	G296 H297 I330	G296-Y307 WeakPolarHBondContact O-CA 3.41Å; H297-Y307 AromaticContact CD2-CD1 3.56Å; H297-Y307 AromaticContact CD2-CE1 3.59Å; H297-Y307 AromaticContact NE2-CD1 3.86Å; H297-Y307 AromaticContact NE2-CE1 3.46Å; H297-Y307 WeakPolarHBondContact NE2-CE1 3.49Å; Y307-I330 HydrophobicContact CE1-CD1 4.42Å; Y307-I330 HydrophobicContact CE2-CD1 4.42Å; Y307-I330 WeakPolarHBondContact OH-CD1 3.46Å
308	I	92.6	Very high	92.7	Very high	22 Å²	22	60.4 Å²	60.4	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.1	173.3	61.5	171.5	0	0	0	109.6	G296 M306 P327 Y458 T522	G296-I308 PolarHBondContact N-O 3.13Å; G296-I308 PolarHBondContact O-N 3.12Å; M306-I308 HydrophobicContact CE-CG2 4.24Å; M306-I308 HydrophobicContact CG-CG2 4.07Å; M306-I308 HydrophobicContact SD-CG2 4.48Å; I308-P327 HydrophobicContact CD1-CG 3.84Å; I308-Y458 HydrophobicContact CD1-CE2 4.05Å; I308-T522 HydrophobicContact CG2-CG2 4.43Å
309	N	92	Very high	92.7	Very high	135 Å²	135	62.5 Å²	62.5	72%	0.722	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-57.6	143.6	171	-66.5	-30.5	0	0	0	110
310	P	93.4	Very high	92.6	Very high	7 Å²	7	65.9 Å²	65.9	5%	0.045	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-52.7	148	166.9	-25.7	34.2	0	0	0	111.5	N294 W314 W315 I324	N294-P310 VanDerWaalsContact O-CG 3.27Å; N294-P310 WeakPolarHBondContact O-CG 3.44Å; P310-W314 HydrophobicContact CB-CB 4.24Å; P310-W314 HydrophobicContact CB-CD2 3.84Å; P310-W314 HydrophobicContact CB-CE3 3.48Å; P310-W314 VanDerWaalsContact CB-CE3 3.48Å; P310-W314 HydrophobicContact CB-CG 4.19Å; P310-W314 HydrophobicContact CB-CZ3 4.06Å; P310-W314 HydrophobicContact CG-CD2 4.39Å; P310-W314 HydrophobicContact CG-CE3 3.78Å; P310-W314 HydrophobicContact CG-CH2 4.43Å; P310-W314 HydrophobicContact CG-CZ3 3.81Å; P310-W315 HydrophobicContact CG-CZ2 3.99Å; P310-W315 VanDerWaalsContact O-CD1 3.31Å; P310-W315 PolarHBondContact O-NE1 3.38Å; P310-I324 HydrophobicContact CB-CD1 4.33Å; P310-I324 HydrophobicContact CB-CG1 4.26Å; P310-I324 HydrophobicContact CB-CG2 4Å; P310-I324 HydrophobicContact CG-CD1 3.91Å; P310-I324 HydrophobicContact CG-CG1 4.38Å; P310-I324 HydrophobicContact CG-CG2 4.41Å
311	P	91.9	Very high	92.6	Very high	43 Å²	43	65.1 Å²	65.1	28%	0.279	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-54.8	146.9	178.8	-25.6	34.6	0	0	0	112.1	Q313 W314 R325	P311-Q313 PolarHBondContact O-N 3.47Å; P311-W314 WeakPolarHBondContact O-CB 3.12Å; P311-W314 PolarHBondContact O-N 2.85Å; P311-R325 HydrophobicContact CG-CB 4.45Å; P311-R325 WeakPolarHBondContact CG-O 3.44Å
312	K	90.9	Very high	92.7	Very high	145 Å²	145	65.7 Å²	65.7	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-49.7	-41.9	-174.4	-167.2	-169.6	175.3	-83.9	0	113.3	W314 W315 D316	K312-W314 VanDerWaalsContact C-N 3.26Å; K312-W314 PolarHBondContact O-N 3.09Å; K312-W315 WeakPolarHBondContact O-CB 3.31Å; K312-W315 PolarHBondContact O-N 3.27Å; K312-D316 IonicContact NZ-OD1 2.92Å; K312-D316 PolarHBondContact NZ-OD1 2.81Å; K312-D316 IonicContact NZ-OD2 2.68Å; K312-D316 PolarHBondContact NZ-OD2 2.88Å; K312-D316 PolarHBondContact O-N 3.05Å
313	Q	91.3	Very high	92.9	Very high	133 Å²	133	65.3 Å²	65.3	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-52.2	-41.1	176.9	179.9	-175.4	-16.6	0	0	113.1	P311 W315 D316 E317	P311-Q313 PolarHBondContact O-N 3.47Å; Q313-W315 VanDerWaalsContact C-N 3.3Å; Q313-W315 PolarHBondContact O-N 2.81Å; Q313-D316 PolarHBondContact O-N 3.11Å; Q313-E317 HydrophobicContact CG-CG 4.44Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.09Å; Q313-E317 PolarHBondContact NE2-OE1 2.85Å; Q313-E317 WeakPolarHBondContact O-CB 3.14Å; Q313-E317 WeakPolarHBondContact O-CG 3.46Å; Q313-E317 PolarHBondContact O-N 2.91Å
314	W	94.6	Very high	93	Very high	12 Å²	12	65.2 Å²	65.2	5%	0.045	33%	0.333	C	S	.	.	H	α-helix	trans	-67.1	-33	-179.4	-174.3	92.3	0	0	0	111.9	N294 P310 P311 K312 G318 M320 A322 I324 P376	N294-W314 HydrophobicContact CB-CH2 3.97Å; N294-W314 HydrophobicContact CB-CZ2 4.37Å; P310-W314 HydrophobicContact CB-CB 4.24Å; P310-W314 HydrophobicContact CB-CD2 3.84Å; P310-W314 HydrophobicContact CB-CE3 3.48Å; P310-W314 VanDerWaalsContact CB-CE3 3.48Å; P310-W314 HydrophobicContact CB-CG 4.19Å; P310-W314 HydrophobicContact CB-CZ3 4.06Å; P310-W314 HydrophobicContact CG-CD2 4.39Å; P310-W314 HydrophobicContact CG-CE3 3.78Å; P310-W314 HydrophobicContact CG-CH2 4.43Å; P310-W314 HydrophobicContact CG-CZ3 3.81Å; P311-W314 WeakPolarHBondContact O-CB 3.12Å; P311-W314 PolarHBondContact O-N 2.85Å; K312-W314 VanDerWaalsContact C-N 3.26Å; K312-W314 PolarHBondContact O-N 3.09Å; W314-G318 PolarHBondContact O-N 2.84Å; W314-M320 HydrophobicContact CH2-CE 3.82Å; W314-M320 HydrophobicContact CH2-SD 3.45Å; W314-M320 WeakPolarHBondContact CH2-SD 3.25Å; W314-M320 HydrophobicContact CZ2-SD 4.4Å; W314-M320 HydrophobicContact CZ3-CE 4.28Å; W314-M320 HydrophobicContact CZ3-SD 3.71Å; W314-A322 PolarHBondContact NE1-O 2.81Å; W314-I324 HydrophobicContact CD2-CD1 4.49Å; W314-I324 HydrophobicContact CD2-CG1 3.95Å; W314-I324 VanDerWaalsContact CE2-CG1 3.44Å; W314-I324 HydrophobicContact CG-CG1 4.14Å; W314-I324 HydrophobicContact CH2-CD1 4.2Å; W314-I324 HydrophobicContact CZ2-CD1 3.74Å; W314-I324 HydrophobicContact CZ2-CG1 3.81Å; W314-I324 VanDerWaalsContact NE1-CG1 3.34Å; W314-P376 HydrophobicContact CZ2-CG 4.35Å
315	W	92.8	Very high	93.3	Very high	129 Å²	129	66.2 Å²	66.2	49%	0.489	34%	0.337	S	S	.	.	H	α-helix	trans	-73.9	-39.9	171.2	-66.2	106.1	0	0	0	112.5	P310 K312 Q313 E317 G318 M320	P310-W315 HydrophobicContact CG-CZ2 3.99Å; P310-W315 VanDerWaalsContact O-CD1 3.31Å; P310-W315 PolarHBondContact O-NE1 3.38Å; K312-W315 WeakPolarHBondContact O-CB 3.31Å; K312-W315 PolarHBondContact O-N 3.27Å; Q313-W315 VanDerWaalsContact C-N 3.3Å; Q313-W315 PolarHBondContact O-N 2.81Å; W315-E317 VanDerWaalsContact C-N 3.26Å; W315-E317 PolarHBondContact O-N 2.85Å; W315-G318 PolarHBondContact O-N 3.45Å; W315-M320 HydrophobicContact CZ3-CE 4.45Å; W315-M320 HydrophobicContact CZ3-SD 4.15Å
316	D	93.9	Very high	93.5	Very high	107 Å²	107	64 Å²	64	57%	0.572	32%	0.322	S	S	*	.	H	α-helix	trans	-64.5	-30.7	175.8	-64.3	-36.5	0	0	0	111.8	K312 Q313	K312-D316 IonicContact NZ-OD1 2.92Å; K312-D316 PolarHBondContact NZ-OD1 2.81Å; K312-D316 IonicContact NZ-OD2 2.68Å; K312-D316 PolarHBondContact NZ-OD2 2.88Å; K312-D316 PolarHBondContact O-N 3.05Å; Q313-D316 PolarHBondContact O-N 3.11Å
317	E	93.4	Very high	93.8	Very high	113 Å²	113	61.2 Å²	61.2	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-77.1	-25.6	173.3	-75.9	174.5	-162.3	0	0	113.5	Q313 W315 D319	Q313-E317 HydrophobicContact CG-CG 4.44Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.09Å; Q313-E317 PolarHBondContact NE2-OE1 2.85Å; Q313-E317 WeakPolarHBondContact O-CB 3.14Å; Q313-E317 WeakPolarHBondContact O-CG 3.46Å; Q313-E317 PolarHBondContact O-N 2.91Å; W315-E317 VanDerWaalsContact C-N 3.26Å; W315-E317 PolarHBondContact O-N 2.85Å; E317-D319 PolarHBondContact O-N 2.96Å; E317-D319 VanDerWaalsContact O-N 3.09Å
318	G	91.5	Very high	93.9	Very high	54 Å²	54	57.1 Å²	57.1	56%	0.557	29%	0.293	S	S	*	.			trans	69.2	-0.2	174.5	0	0	0	0	0	116.7	W314 W315 M320	W314-G318 PolarHBondContact O-N 2.84Å; W315-G318 PolarHBondContact O-N 3.45Å; G318-M320 PolarHBondContact O-N 3.26Å
319	D	93.4	Very high	93.9	Very high	43 Å²	43	56.2 Å²	56.2	23%	0.23	29%	0.288	C	S	.	.			trans	-87	92.7	-179.9	-173.4	1.1	0	0	0	112.3	K142 E317 S321 A322	K142-D319 IonicContact NZ-OD1 3.8Å; K142-D319 IonicContact NZ-OD2 3.42Å; K142-D319 PolarHBondContact NZ-OD2 2.91Å; E317-D319 PolarHBondContact O-N 2.96Å; E317-D319 VanDerWaalsContact O-N 3.09Å; D319-S321 PolarHBondContact O-N 2.84Å; D319-S321 WeakPolarHBondContact OD1-CB 3.09Å; D319-S321 PolarHBondContact OD1-N 3.34Å; D319-S321 PolarHBondContact OD1-OG 3.3Å; D319-S321 PolarHBondContact OD2-OG 3.39Å; D319-A322 HydrophobicContact CB-CB 4.09Å; D319-A322 WeakPolarHBondContact O-CB 3.41Å; D319-A322 PolarHBondContact O-N 2.75Å
320	M	93.1	Very high	93.6	Very high	71 Å²	71	51.5 Å²	51.5	35%	0.35	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-8.3	175.4	-59.6	-61.2	-75.2	0	0	114.9	P140 N294 W314 W315 G318 P376	P140-M320 WeakPolarHBondContact CG-O 3.39Å; N294-M320 PolarHBondContact ND2-O 3.25Å; W314-M320 HydrophobicContact CH2-CE 3.82Å; W314-M320 HydrophobicContact CH2-SD 3.45Å; W314-M320 WeakPolarHBondContact CH2-SD 3.25Å; W314-M320 HydrophobicContact CZ2-SD 4.4Å; W314-M320 HydrophobicContact CZ3-CE 4.28Å; W314-M320 HydrophobicContact CZ3-SD 3.71Å; W315-M320 HydrophobicContact CZ3-CE 4.45Å; W315-M320 HydrophobicContact CZ3-SD 4.15Å; G318-M320 PolarHBondContact O-N 3.26Å; M320-P376 WeakPolarHBondContact O-CB 3.44Å
321	S	94.3	Very high	93	Very high	14 Å²	14	51.6 Å²	51.6	10%	0.098	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-10.7	173.4	71.7	0	0	0	0	115.3	K142 C143 D319	K142-S321 WeakPolarHBondContact CD-OG 3.46Å; C143-S321 VanDerWaalsContact SG-CB 3.57Å; D319-S321 PolarHBondContact O-N 2.84Å; D319-S321 WeakPolarHBondContact OD1-CB 3.09Å; D319-S321 PolarHBondContact OD1-N 3.34Å; D319-S321 PolarHBondContact OD1-OG 3.3Å; D319-S321 PolarHBondContact OD2-OG 3.39Å
322	A	95.5	Very high	92.7	Very high	15 Å²	15	50 Å²	50	12%	0.124	25%	0.254	C	S	.	.	S	Bend	trans	-69.7	150.7	-178	0	0	0	0	0	112.4	W314 D319 I324 P376	W314-A322 PolarHBondContact NE1-O 2.81Å; D319-A322 HydrophobicContact CB-CB 4.09Å; D319-A322 WeakPolarHBondContact O-CB 3.41Å; D319-A322 PolarHBondContact O-N 2.75Å; A322-I324 PolarHBondContact O-N 2.79Å; A322-P376 WeakPolarHBondContact O-CD 3.43Å; A322-P376 WeakPolarHBondContact O-CG 3.38Å
323	P	96.8	Very high	92.8	Very high	47 Å²	47	43.1 Å²	43.1	31%	0.305	22%	0.224	S	C	.	.			trans	-56.3	132.3	172.9	-23.9	33.9	0	0	0	112.6	E373 L375	P323-E373 HydrophobicContact CB-CB 4.29Å; P323-E373 HydrophobicContact CB-CG 4.4Å; P323-L375 HydrophobicContact CB-CD2 3.62Å; P323-L375 HydrophobicContact CG-CD2 3.7Å
324	I	97.3	Very high	93.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.9	174.2	-64.4	163.1	0	0	0	108.2	N294 P310 W314 A322 T326 E373 V374 P376	N294-I324 HydrophobicContact CB-CD1 3.83Å; P310-I324 HydrophobicContact CB-CD1 4.33Å; P310-I324 HydrophobicContact CB-CG1 4.26Å; P310-I324 HydrophobicContact CB-CG2 4Å; P310-I324 HydrophobicContact CG-CD1 3.91Å; P310-I324 HydrophobicContact CG-CG1 4.38Å; P310-I324 HydrophobicContact CG-CG2 4.41Å; W314-I324 HydrophobicContact CD2-CD1 4.49Å; W314-I324 HydrophobicContact CD2-CG1 3.95Å; W314-I324 VanDerWaalsContact CE2-CG1 3.44Å; W314-I324 HydrophobicContact CG-CG1 4.14Å; W314-I324 HydrophobicContact CH2-CD1 4.2Å; W314-I324 HydrophobicContact CZ2-CD1 3.74Å; W314-I324 HydrophobicContact CZ2-CG1 3.81Å; W314-I324 VanDerWaalsContact NE1-CG1 3.34Å; A322-I324 PolarHBondContact O-N 2.79Å; I324-T326 PolarHBondContact O-N 2.68Å; I324-E373 CarbonylContact O-C 3.52Å; I324-E373 WeakPolarHBondContact O-CA 3.46Å; I324-V374 HydrophobicContact CB-CB 4.23Å; I324-V374 PolarHBondContact N-O 3.4Å; I324-V374 PolarHBondContact O-N 2.73Å; I324-P376 HydrophobicContact CD1-CG 4.14Å
325	R	96.2	Very high	93.3	Very high	103 Å²	103	36.2 Å²	36.2	39%	0.389	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.7	170.3	-173.8	-176.2	179.8	-147.6	-3.3	109.6	P311 W366 N456	P311-R325 HydrophobicContact CG-CB 4.45Å; P311-R325 WeakPolarHBondContact CG-O 3.44Å; R325-W366 HydrophobicContact CG-CH2 3.67Å; R325-W366 HydrophobicContact CG-CZ2 3.58Å; R325-N456 PolarHBondContact NH1-O 2.96Å; R325-N456 PolarHBondContact NH2-O 2.93Å
326	T	96.6	Very high	93.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.169	C	C	.	.			trans	-127.3	134.9	-173.1	-176.9	0	0	0	0	112.4	L276 H297 I324 A328 W366 M372 V374	L276-T326 HydrophobicContact CD1-CG2 3.92Å; H297-T326 PolarHBondContact N-OG1 2.8Å; H297-T326 PolarHBondContact O-OG1 2.76Å; H297-T326 VanDerWaalsContact O-OG1 3.12Å; I324-T326 PolarHBondContact O-N 2.68Å; T326-A328 VanDerWaalsContact CG2-O 3.26Å; T326-A328 WeakPolarHBondContact CG2-O 3.34Å; T326-A328 PolarHBondContact OG1-O 3.06Å; T326-W366 PolarHBondContact O-NE1 2.63Å; T326-M372 HydrophobicContact CG2-CB 3.58Å; T326-M372 PolarHBondContact N-O 3.45Å; T326-M372 VanDerWaalsContact N-O 3.14Å; T326-V374 HydrophobicContact CG2-CG2 4.04Å
327	P	96.1	Very high	93.8	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.039	15%	0.145	C	C	.	.	S	Bend	trans	-62.4	-39.4	175.9	-26.1	34.4	0	0	0	114.8	H297 I308 Y453 V457 Y458	H297-P327 WeakPolarHBondContact O-CD 3.37Å; I308-P327 HydrophobicContact CD1-CG 3.84Å; P327-Y453 VanDerWaalsContact C-OH 3.24Å; P327-Y453 VanDerWaalsContact CB-OH 3.29Å; P327-Y453 WeakPolarHBondContact CB-OH 3.27Å; P327-Y453 PolarHBondContact O-OH 3.24Å; P327-V457 HydrophobicContact CB-CG1 4.3Å; P327-Y458 HydrophobicContact CB-CD1 3.87Å; P327-Y458 HydrophobicContact CB-CD2 4.37Å; P327-Y458 HydrophobicContact CB-CE1 4.48Å; P327-Y458 HydrophobicContact CB-CG 3.82Å; P327-Y458 HydrophobicContact CG-CD1 4.22Å; P327-Y458 HydrophobicContact CG-CD2 3.81Å; P327-Y458 HydrophobicContact CG-CE2 4.35Å; P327-Y458 HydrophobicContact CG-CG 3.74Å
328	A	94.1	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-138	-167.7	-178.5	0	0	0	0	0	111	H297 Y299 T326 I359	H297-A328 PolarHBondContact O-N 3.25Å; Y299-A328 HydrophobicContact CD1-CB 3.91Å; Y299-A328 HydrophobicContact CE1-CB 4.2Å; T326-A328 VanDerWaalsContact CG2-O 3.26Å; T326-A328 WeakPolarHBondContact CG2-O 3.34Å; T326-A328 PolarHBondContact OG1-O 3.06Å; A328-I359 HydrophobicContact CB-CD1 3.76Å
329	M	92	Very high	94.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.126	C	C	.	.			trans	-127.5	147.1	174.4	51.9	168	-81.2	0	0	111.8	L276 F334 N358 L361 M372	L276-M329 HydrophobicContact CD1-CB 3.5Å; L276-M329 VanDerWaalsContact CD1-CB 3.5Å; L276-M329 HydrophobicContact CD2-CB 3.65Å; L276-M329 HydrophobicContact CG-CB 4.23Å; M329-F334 HydrophobicContact CE-CB 4.09Å; M329-F334 HydrophobicContact CE-CD1 3.53Å; M329-F334 HydrophobicContact CE-CE1 4.23Å; M329-F334 HydrophobicContact CE-CG 4.05Å; M329-F334 HydrophobicContact SD-CB 4.02Å; M329-F334 HydrophobicContact SD-CD1 4.01Å; M329-F334 HydrophobicContact SD-CG 4.02Å; M329-N358 HydrophobicContact CE-CB 4.06Å; M329-N358 HydrophobicContact CG-CB 4.11Å; M329-N358 WeakPolarHBondContact CG-O 3.42Å; M329-N358 WeakPolarHBondContact O-CB 3.39Å; M329-N358 PolarHBondContact O-ND2 2.98Å; M329-L361 HydrophobicContact SD-CD2 3.85Å; M329-M372 HydrophobicContact CB-CE 3.82Å; M329-M372 HydrophobicContact CB-SD 4.41Å; M329-M372 HydrophobicContact CG-CE 3.84Å; M329-M372 HydrophobicContact CG-SD 4.47Å; M329-M372 HydrophobicContact SD-CE 3.92Å
330	I	86	Confident	94.6	Very high	37 Å²	37	22.7 Å²	22.7	19%	0.19	12%	0.116	C	C	.	.			trans	-70.7	138	161.4	-169.6	167.4	0	0	0	109.4	I279 Y307 C332	I279-I330 HydrophobicContact CG1-CG2 4.12Å; Y307-I330 HydrophobicContact CE1-CD1 4.42Å; Y307-I330 HydrophobicContact CE2-CD1 4.42Å; Y307-I330 WeakPolarHBondContact OH-CD1 3.46Å; I330-C332 PolarHBondContact O-N 3.25Å; I330-C332 VanDerWaalsContact O-N 3.1Å
331	G	81.1	Confident	94.9	Very high	9 Å²	9	19.4 Å²	19.4	9%	0.093	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.5	-167.7	0	0	0	0	0	116.6	R234	R234-G331 VanDerWaalsContact CZ-O 3.32Å; R234-G331 PolarHBondContact NH1-O 2.75Å; R234-G331 PolarHBondContact NH2-O 2.9Å
332	C	86.1	Confident	95.1	Very high	8 Å²	8	20 Å²	20	5%	0.054	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-24	-168.7	60.3	0	0	0	0	115.6	F249 D250 I330 H382	F249-C332 WeakPolarHBondContact CA-O 3.46Å; D250-C332 PolarHBondContact N-O 3.14Å; D250-C332 VanDerWaalsContact OD2-CA 3.32Å; D250-C332 WeakPolarHBondContact OD2-CA 3.37Å; D250-C332 WeakPolarHBondContact OD2-CB 3.48Å; I330-C332 PolarHBondContact O-N 3.25Å; I330-C332 VanDerWaalsContact O-N 3.1Å; C332-H382 WeakPolarHBondContact CB-NE2 3.49Å
333	S	93.3	Very high	95.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	154.3	169.2	69.2	0	0	0	0	114.5	F248 I279	F248-S333 CarbonylContact O-C 3.45Å; F248-S333 WeakPolarHBondContact O-CA 3.12Å; F248-S333 WeakPolarHBondContact O-CB 3.39Å; I279-S333 WeakPolarHBondContact CD1-OG 3.5Å
334	F	97.4	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	155.5	165.7	68.5	-77.8	0	0	0	110.7	F248 I274 L276 M329 F341 L361	F248-F334 HydrophobicContact CB-CD1 3.93Å; F248-F334 HydrophobicContact CB-CE1 3.61Å; F248-F334 HydrophobicContact CB-CZ 4.06Å; F248-F334 HydrophobicContact CD1-CZ 4.47Å; F248-F334 HydrophobicContact CD2-CD1 4.25Å; F248-F334 AromaticContact CD2-CD2 3.95Å; F248-F334 HydrophobicContact CD2-CD2 3.95Å; F248-F334 AromaticContact CD2-CE1 3.7Å; F248-F334 HydrophobicContact CD2-CE1 3.7Å; F248-F334 AromaticContact CD2-CE2 3.35Å; F248-F334 HydrophobicContact CD2-CE2 3.35Å; F248-F334 HydrophobicContact CD2-CG 4.38Å; F248-F334 AromaticContact CD2-CZ 3.2Å; F248-F334 HydrophobicContact CD2-CZ 3.2Å; F248-F334 AromaticContact CE2-CE2 3.65Å; F248-F334 HydrophobicContact CE2-CE2 3.65Å; F248-F334 AromaticContact CE2-CZ 3.67Å; F248-F334 HydrophobicContact CE2-CZ 3.67Å; F248-F334 HydrophobicContact CG-CD1 4.42Å; F248-F334 AromaticContact CG-CE1 3.76Å; F248-F334 HydrophobicContact CG-CE1 3.76Å; F248-F334 HydrophobicContact CG-CE2 4.25Å; F248-F334 AromaticContact CG-CZ 3.67Å; F248-F334 HydrophobicContact CG-CZ 3.67Å; F248-F334 HydrophobicContact CZ-CZ 4.46Å; F248-F334 PolarHBondContact N-O 3.43Å; F248-F334 PolarHBondContact O-N 3.22Å; I274-F334 HydrophobicContact CG2-CB 3.92Å; I274-F334 HydrophobicContact CG2-CD2 3.79Å; I274-F334 HydrophobicContact CG2-CG 4.3Å; L276-F334 HydrophobicContact CD2-CB 3.51Å; M329-F334 HydrophobicContact CE-CB 4.09Å; M329-F334 HydrophobicContact CE-CD1 3.53Å; M329-F334 HydrophobicContact CE-CE1 4.23Å; M329-F334 HydrophobicContact CE-CG 4.05Å; M329-F334 HydrophobicContact SD-CB 4.02Å; M329-F334 HydrophobicContact SD-CD1 4.01Å; M329-F334 HydrophobicContact SD-CG 4.02Å; F334-F341 HydrophobicContact CE2-CD2 4.24Å; F334-F341 HydrophobicContact CE2-CE1 4.4Å; F334-F341 AromaticContact CE2-CE2 3.79Å; F334-F341 HydrophobicContact CE2-CE2 3.79Å; F334-F341 AromaticContact CE2-CZ 3.88Å; F334-F341 HydrophobicContact CE2-CZ 3.88Å; F334-F341 HydrophobicContact CZ-CE1 4.26Å; F334-F341 AromaticContact CZ-CE2 4Å; F334-F341 HydrophobicContact CZ-CE2 4Å; F334-F341 AromaticContact CZ-CZ 3.67Å; F334-F341 HydrophobicContact CZ-CZ 3.67Å; F334-L361 HydrophobicContact CD2-CD2 4.28Å; F334-L361 HydrophobicContact CE2-CD2 3.92Å; F334-L361 HydrophobicContact CZ-CD2 4.06Å
335	V	98.6	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.4	177.8	-169.6	0	0	0	0	109.8	I155 V245 T246 F249 W259 V263 I267 I275	I155-V335 HydrophobicContact CD1-CG1 3.68Å; V245-V335 HydrophobicContact CG1-CG1 3.37Å; T246-V335 WeakPolarHBondContact O-CA 3.39Å; F249-V335 HydrophobicContact CE2-CG2 4.24Å; F249-V335 HydrophobicContact CZ-CG2 3.99Å; W259-V335 HydrophobicContact CZ3-CG2 4.21Å; V263-V335 HydrophobicContact CG1-CB 3.63Å; V263-V335 HydrophobicContact CG1-CG1 3.61Å; V263-V335 HydrophobicContact CG1-CG2 3.97Å; I267-V335 HydrophobicContact CD1-CB 4.28Å; I267-V335 HydrophobicContact CD1-CG1 3.76Å; I275-V335 PolarHBondContact N-O 3.47Å; I275-V335 PolarHBondContact O-N 2.66Å
336	A	98.5	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.3	-176.7	0	0	0	0	0	111.3	V245 T246 I274 R338 F341	V245-A336 WeakPolarHBondContact CG1-O 3.32Å; T246-A336 PolarHBondContact N-O 3.05Å; T246-A336 PolarHBondContact O-N 2.84Å; T246-A336 PolarHBondContact OG1-O 2.83Å; I274-A336 HydrophobicContact CD1-CB 4.13Å; I274-A336 HydrophobicContact CG1-CB 3.94Å; I274-A336 HydrophobicContact CG2-CB 4.44Å; A336-R338 PolarHBondContact O-N 2.8Å; A336-F341 HydrophobicContact CB-CB 4.35Å
337	N	98.8	Very high	95.1	Very high	11 Å²	11	18.8 Å²	18.8	6%	0.059	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	130.7	163.3	171.3	-88.6	0	0	0	109.2	E244 I267 H271 D339 Y340 F341	E244-N337 PolarHBondContact O-ND2 2.96Å; I267-N337 HydrophobicContact CG2-CB 3.98Å; H271-N337 HydrophobicContact CB-CB 3.99Å; H271-N337 WeakPolarHBondContact O-CB 3.45Å; N337-D339 VanDerWaalsContact C-N 3.34Å; N337-D339 PolarHBondContact O-N 3.42Å; N337-D339 PolarHBondContact OD1-N 3.14Å; N337-Y340 WeakPolarHBondContact OD1-CB 3.49Å; N337-Y340 PolarHBondContact OD1-N 3.45Å; N337-F341 PolarHBondContact O-N 2.91Å
338	R	98.6	Very high	95.1	Very high	63 Å²	63	18.8 Å²	18.8	24%	0.238	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-46.2	-171.6	177.7	-174	172.6	-79.5	3	111.9	W238 A241 A243 E244 T246 A336 F341 G342	W238-R338 PolarHBondContact NE1-O 3.49Å; A241-R338 PolarHBondContact O-NE 3.1Å; A241-R338 PolarHBondContact O-NH2 3.5Å; A243-R338 WeakPolarHBondContact O-CD 3.33Å; E244-R338 WeakPolarHBondContact O-CB 3.28Å; E244-R338 PolarHBondContact O-N 2.73Å; T246-R338 HydrophobicContact CG2-CB 4.04Å; T246-R338 HydrophobicContact CG2-CG 4Å; A336-R338 PolarHBondContact O-N 2.8Å; R338-F341 PolarHBondContact O-N 3.46Å; R338-G342 PolarHBondContact O-N 2.92Å
339	D	98.4	Very high	95.2	Very high	84 Å²	84	21.3 Å²	21.3	45%	0.449	12%	0.124	S	C	.	.	H	α-helix	trans	-79.8	-38.5	-170.8	-62	-14.7	0	0	0	110.6	N337 F341 G342 E343	N337-D339 VanDerWaalsContact C-N 3.34Å; N337-D339 PolarHBondContact O-N 3.42Å; N337-D339 PolarHBondContact OD1-N 3.14Å; D339-F341 VanDerWaalsContact C-N 3.31Å; D339-F341 PolarHBondContact O-N 2.82Å; D339-G342 CarbonylContact O-C 3.53Å; D339-G342 VanDerWaalsContact O-CA 3.28Å; D339-G342 WeakPolarHBondContact O-CA 3.48Å; D339-G342 PolarHBondContact O-N 2.74Å; D339-E343 PolarHBondContact O-N 3.12Å
340	Y	98.6	Very high	95.3	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-37.5	169.6	174.3	-116.9	0	0	0	112.8	H271 K272 I274 N337 G342 E343 L344 G370	H271-Y340 WeakPolarHBondContact O-CD1 3.46Å; K272-Y340 VanDerWaalsContact CA-CE1 3.46Å; K272-Y340 HydrophobicContact CB-CD1 4.44Å; K272-Y340 HydrophobicContact CB-CD2 4.31Å; K272-Y340 HydrophobicContact CB-CE1 4.04Å; K272-Y340 HydrophobicContact CB-CE2 3.91Å; K272-Y340 HydrophobicContact CD-CD2 4.01Å; K272-Y340 HydrophobicContact CD-CE2 3.69Å; K272-Y340 HydrophobicContact CG-CD2 3.86Å; K272-Y340 HydrophobicContact CG-CE2 3.78Å; K272-Y340 HydrophobicContact CG-CG 4.32Å; K272-Y340 WeakPolarHBondContact O-CE1 3.49Å; I274-Y340 HydrophobicContact CG1-CE1 4.43Å; N337-Y340 WeakPolarHBondContact OD1-CB 3.49Å; N337-Y340 PolarHBondContact OD1-N 3.45Å; Y340-G342 PolarHBondContact O-N 2.96Å; Y340-E343 HydrophobicContact CD2-CB 4.49Å; Y340-E343 WeakPolarHBondContact O-CB 3.48Å; Y340-E343 PolarHBondContact O-N 3.17Å; Y340-L344 HydrophobicContact CD1-CD1 4.26Å; Y340-L344 HydrophobicContact CD2-CG 4.38Å; Y340-L344 HydrophobicContact CE1-CD1 3.62Å; Y340-L344 HydrophobicContact CE1-CG 4.2Å; Y340-L344 HydrophobicContact CE2-CD1 4.19Å; Y340-L344 HydrophobicContact CE2-CD2 4.06Å; Y340-L344 HydrophobicContact CE2-CG 3.85Å; Y340-L344 WeakPolarHBondContact O-CG 3.44Å; Y340-L344 PolarHBondContact O-N 3.14Å; Y340-G370 WeakPolarHBondContact OH-CA 3.26Å
341	F	98.3	Very high	95.7	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-31.5	173	-172.1	-124.6	0	0	0	112.1	W238 F248 F334 A336 N337 R338 D339 G345 L346 L347 L361	W238-F341 AromaticContact CD1-CD1 3.76Å; W238-F341 HydrophobicContact CG-CD1 4.4Å; F248-F341 HydrophobicContact CE1-CE1 4.38Å; F248-F341 AromaticContact CE2-CD1 3.9Å; F248-F341 HydrophobicContact CE2-CD1 3.9Å; F248-F341 AromaticContact CE2-CE1 3.75Å; F248-F341 HydrophobicContact CE2-CE1 3.75Å; F248-F341 HydrophobicContact CE2-CZ 4.43Å; F248-F341 AromaticContact CZ-CD1 3.81Å; F248-F341 HydrophobicContact CZ-CD1 3.81Å; F248-F341 AromaticContact CZ-CE1 3.52Å; F248-F341 HydrophobicContact CZ-CE1 3.52Å; F248-F341 HydrophobicContact CZ-CZ 4.47Å; F334-F341 HydrophobicContact CE2-CD2 4.24Å; F334-F341 HydrophobicContact CE2-CE1 4.4Å; F334-F341 AromaticContact CE2-CE2 3.79Å; F334-F341 HydrophobicContact CE2-CE2 3.79Å; F334-F341 AromaticContact CE2-CZ 3.88Å; F334-F341 HydrophobicContact CE2-CZ 3.88Å; F334-F341 HydrophobicContact CZ-CE1 4.26Å; F334-F341 AromaticContact CZ-CE2 4Å; F334-F341 HydrophobicContact CZ-CE2 4Å; F334-F341 AromaticContact CZ-CZ 3.67Å; F334-F341 HydrophobicContact CZ-CZ 3.67Å; A336-F341 HydrophobicContact CB-CB 4.35Å; N337-F341 PolarHBondContact O-N 2.91Å; R338-F341 PolarHBondContact O-N 3.46Å; D339-F341 VanDerWaalsContact C-N 3.31Å; D339-F341 PolarHBondContact O-N 2.82Å; F341-G345 PolarHBondContact O-N 2.83Å; F341-L346 HydrophobicContact CD1-CD2 3.46Å; F341-L346 VanDerWaalsContact CD1-CD2 3.46Å; F341-L346 HydrophobicContact CE1-CB 4.36Å; F341-L346 HydrophobicContact CE1-CD2 3.69Å; F341-L346 HydrophobicContact CG-CD2 4.15Å; F341-L346 PolarHBondContact O-N 3.13Å; F341-L347 HydrophobicContact CZ-CD2 4.25Å; F341-L347 HydrophobicContact CZ-CG 4.13Å; F341-L361 HydrophobicContact CD2-CD1 4.45Å; F341-L361 HydrophobicContact CE2-CD1 3.95Å; F341-L361 HydrophobicContact CE2-CD2 3.85Å
342	G	98	Very high	96	Very high	26 Å²	26	22 Å²	22	27%	0.268	13%	0.131	S	C	.	.	H	α-helix	trans	-66.5	-46.8	167.8	0	0	0	0	0	113.5	R338 D339 Y340 L344 G345	R338-G342 PolarHBondContact O-N 2.92Å; D339-G342 CarbonylContact O-C 3.53Å; D339-G342 VanDerWaalsContact O-CA 3.28Å; D339-G342 WeakPolarHBondContact O-CA 3.48Å; D339-G342 PolarHBondContact O-N 2.74Å; Y340-G342 PolarHBondContact O-N 2.96Å; G342-L344 VanDerWaalsContact C-N 3.28Å; G342-L344 PolarHBondContact O-N 3.39Å; G342-G345 WeakPolarHBondContact O-CA 3.34Å; G342-G345 PolarHBondContact O-N 3.46Å
343	E	97.5	Very high	95.8	Very high	92 Å²	92	23.9 Å²	23.9	43%	0.43	14%	0.142	S	C	.	.	H	α-helix	trans	-54.9	-43.4	174.1	-70.2	176.4	-167.3	0	0	111.4	K272 D339 Y340 G345	K272-E343 IonicContact NZ-OE2 3.27Å; K272-E343 PolarHBondContact NZ-OE2 3.17Å; D339-E343 PolarHBondContact O-N 3.12Å; Y340-E343 HydrophobicContact CD2-CB 4.49Å; Y340-E343 WeakPolarHBondContact O-CB 3.48Å; Y340-E343 PolarHBondContact O-N 3.17Å; E343-G345 PolarHBondContact O-N 3.39Å
344	L	97.3	Very high	95.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.6	175.4	-74.4	178.3	0	0	0	113.1	I274 Y340 G342 L361 R364 V365 C368 L441 L445	I274-L344 HydrophobicContact CD1-CD1 4.32Å; Y340-L344 HydrophobicContact CD1-CD1 4.26Å; Y340-L344 HydrophobicContact CD2-CG 4.38Å; Y340-L344 HydrophobicContact CE1-CD1 3.62Å; Y340-L344 HydrophobicContact CE1-CG 4.2Å; Y340-L344 HydrophobicContact CE2-CD1 4.19Å; Y340-L344 HydrophobicContact CE2-CD2 4.06Å; Y340-L344 HydrophobicContact CE2-CG 3.85Å; Y340-L344 WeakPolarHBondContact O-CG 3.44Å; Y340-L344 PolarHBondContact O-N 3.14Å; G342-L344 VanDerWaalsContact C-N 3.28Å; G342-L344 PolarHBondContact O-N 3.39Å; L344-L361 HydrophobicContact CD1-CD1 4.42Å; L344-R364 HydrophobicContact CD2-CG 4.33Å; L344-R364 PolarHBondContact O-NH1 2.91Å; L344-V365 HydrophobicContact CD1-CG2 3.7Å; L344-C368 HydrophobicContact CD2-CB 4.24Å; L344-L441 WeakPolarHBondContact O-CD2 3.19Å; L344-L445 HydrophobicContact CD2-CD1 4.47Å
345	G	96.8	Very high	94.9	Very high	22 Å²	22	26.8 Å²	26.8	23%	0.227	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	26	-179.7	0	0	0	0	0	115.3	F341 G342 E343 R438	F341-G345 PolarHBondContact O-N 2.83Å; G342-G345 WeakPolarHBondContact O-CA 3.34Å; G342-G345 PolarHBondContact O-N 3.46Å; E343-G345 PolarHBondContact O-N 3.39Å; G345-R438 PolarHBondContact O-NH1 2.71Å
346	L	96.5	Very high	94.5	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.126	16%	0.155	C	C	.	.			trans	54.4	-163.2	178.1	-49.5	177.3	0	0	0	113.5	I235 W238 F341 R364	I235-L346 HydrophobicContact CD1-CB 4.36Å; I235-L346 HydrophobicContact CG1-CB 4.04Å; I235-L346 HydrophobicContact CG1-CD1 4.19Å; I235-L346 HydrophobicContact CG2-CD1 3.97Å; W238-L346 HydrophobicContact CD2-CD1 4.14Å; W238-L346 HydrophobicContact CD2-CD2 3.53Å; W238-L346 HydrophobicContact CE3-CD1 3.64Å; W238-L346 HydrophobicContact CE3-CD2 3.9Å; W238-L346 HydrophobicContact CE3-CG 4.43Å; W238-L346 HydrophobicContact CG-CD2 3.91Å; W238-L346 HydrophobicContact CH2-CD1 4.49Å; W238-L346 HydrophobicContact CH2-CD2 4.33Å; W238-L346 HydrophobicContact CZ2-CD2 4Å; W238-L346 HydrophobicContact CZ3-CD1 3.84Å; W238-L346 HydrophobicContact CZ3-CD2 4.29Å; F341-L346 HydrophobicContact CD1-CD2 3.46Å; F341-L346 VanDerWaalsContact CD1-CD2 3.46Å; F341-L346 HydrophobicContact CE1-CB 4.36Å; F341-L346 HydrophobicContact CE1-CD2 3.69Å; F341-L346 HydrophobicContact CG-CD2 4.15Å; F341-L346 PolarHBondContact O-N 3.13Å; L346-R364 PolarHBondContact O-NH1 2.74Å; L346-R364 PolarHBondContact O-NH2 3Å
347	L	95.8	Very high	94.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-73	162.3	172.7	-62.2	-179.2	0	0	0	111.8	I231 R234 I235 F341 S349 E357 L361 R438	I231-L347 HydrophobicContact CG1-CD1 4.5Å; I231-L347 HydrophobicContact CG2-CB 3.7Å; I231-L347 HydrophobicContact CG2-CD1 4.41Å; R234-L347 HydrophobicContact CB-CD1 4.15Å; I235-L347 HydrophobicContact CD1-CB 4.41Å; F341-L347 HydrophobicContact CZ-CD2 4.25Å; F341-L347 HydrophobicContact CZ-CG 4.13Å; L347-S349 PolarHBondContact O-N 2.89Å; L347-E357 HydrophobicContact CD1-CG 4.37Å; L347-L361 HydrophobicContact CD2-CB 4.3Å; L347-L361 HydrophobicContact CD2-CD2 3.94Å; L347-R438 PolarHBondContact O-NH2 3.31Å
348	D	96.3	Very high	94	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.032	15%	0.154	C	C	.	.			trans	-75.6	92.6	175.7	-174.5	26.5	0	0	0	113.1	I231 G350 M351 R404 R438	I231-D348 WeakPolarHBondContact CG2-O 3.14Å; D348-G350 PolarHBondContact O-N 2.88Å; D348-G350 PolarHBondContact OD1-N 2.91Å; D348-G350 VanDerWaalsContact OD1-N 3.14Å; D348-M351 HydrophobicContact CB-CE 4.11Å; D348-M351 HydrophobicContact CB-CG 4.06Å; D348-M351 HydrophobicContact CB-SD 4.2Å; D348-M351 VanDerWaalsContact O-CB 3.31Å; D348-M351 WeakPolarHBondContact O-CB 3.5Å; D348-M351 PolarHBondContact O-N 3Å; D348-R404 IonicContact OD1-NH2 3.59Å; D348-R404 PolarHBondContact OD1-NH2 3.02Å; D348-R404 IonicContact OD2-CZ 2.91Å; D348-R404 IonicContact OD2-NE 2.79Å; D348-R404 PolarHBondContact OD2-NE 2.84Å; D348-R404 IonicContact OD2-NH2 2.7Å; D348-R404 PolarHBondContact OD2-NH2 2.82Å; D348-R438 IonicContact OD1-CZ 3.25Å; D348-R438 IonicContact OD1-NE 2.87Å; D348-R438 PolarHBondContact OD1-NE 3.4Å; D348-R438 IonicContact OD1-NH2 3.86Å
349	S	94.4	Very high	93.9	Very high	53 Å²	53	23.7 Å²	23.7	37%	0.371	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-15.9	173.7	49.4	0	0	0	0	115.6	R232 L347	R232-S349 PolarHBondContact NE-O 2.85Å; R232-S349 PolarHBondContact NH2-O 2.88Å; L347-S349 PolarHBondContact O-N 2.89Å
350	G	94.6	Very high	93.9	Very high	23 Å²	23	19.8 Å²	19.8	24%	0.237	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.6	172.8	0	0	0	0	0	115.2	D348 R400 R404	D348-G350 PolarHBondContact O-N 2.88Å; D348-G350 PolarHBondContact OD1-N 2.91Å; D348-G350 VanDerWaalsContact OD1-N 3.14Å; G350-R400 PolarHBondContact O-NH1 2.66Å; G350-R404 PolarHBondContact O-NE 2.61Å
351	M	93.9	Very high	93.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.121	C	C	.	.	S	Bend	trans	-79.6	153.9	169	-68.8	-179.4	-178.7	0	0	111.7	I231 R232 D348 E357 E360 N401 V405	I231-M351 HydrophobicContact CD1-CB 3.43Å; I231-M351 VanDerWaalsContact CD1-CB 3.43Å; I231-M351 HydrophobicContact CD1-CG 4.37Å; I231-M351 HydrophobicContact CD1-SD 4.06Å; R232-M351 PolarHBondContact NH2-O 3.2Å; D348-M351 HydrophobicContact CB-CE 4.11Å; D348-M351 HydrophobicContact CB-CG 4.06Å; D348-M351 HydrophobicContact CB-SD 4.2Å; D348-M351 VanDerWaalsContact O-CB 3.31Å; D348-M351 WeakPolarHBondContact O-CB 3.5Å; D348-M351 PolarHBondContact O-N 3Å; M351-E357 HydrophobicContact SD-CB 4Å; M351-E360 HydrophobicContact CE-CB 3.8Å; M351-E360 HydrophobicContact CE-CG 3.8Å; M351-N401 WeakPolarHBondContact CA-OD1 3.46Å; M351-N401 HydrophobicContact CB-CB 4.29Å; M351-N401 WeakPolarHBondContact CB-OD1 3.36Å; M351-N401 HydrophobicContact CG-CB 3.94Å; M351-N401 HydrophobicContact SD-CB 4.13Å; M351-V405 HydrophobicContact CE-CG2 3.49Å; M351-V405 VanDerWaalsContact CE-CG2 3.49Å
352	D	87.6	Confident	93.7	Very high	39 Å²	39	19.6 Å²	19.6	21%	0.209	12%	0.121	C	C	.	.			trans	-114.5	144.2	-177.2	-59	-48.3	0	0	0	113.7	R232 Y354 R400 N401	R232-D352 IonicContact CZ-OD1 2.67Å; R232-D352 IonicContact NH1-OD1 2.77Å; R232-D352 IonicContact NH2-OD1 2.95Å; R232-D352 PolarHBondContact NH2-OD1 3.02Å; D352-Y354 VanDerWaalsContact C-N 3.3Å; D352-Y354 PolarHBondContact O-N 2.83Å; D352-R400 IonicContact OD1-NH1 2.67Å; D352-R400 IonicContact OD2-CZ 3.18Å; D352-R400 VanDerWaalsContact OD2-CZ 3.29Å; D352-R400 IonicContact OD2-NE 2.63Å; D352-R400 IonicContact OD2-NH1 3.93Å; D352-R400 PolarHBondContact OD2-NH1 3.13Å; D352-N401 PolarHBondContact N-OD1 2.95Å; D352-N401 PolarHBondContact O-ND2 3.16Å
353	V	83.3	Confident	93.7	Very high	46 Å²	46	18.3 Å²	18.3	28%	0.279	11%	0.108	S	C	.	.	S	Bend	trans	57.1	-75.5	171.2	-172.9	0	0	0	0	114.4	L230	L230-V353 PolarHBondContact N-O 2.8Å
354	Y	84.8	Confident	93.8	Very high	60 Å²	60	14 Å²	14	24%	0.235	9%	0.088	C	C	.	.	S	Bend	trans	-164.8	141	-169.8	177.9	-89.4	0	0	0	112.5	L230 D352 K388 I394 T398	L230-Y354 HydrophobicContact CD1-CD2 4.22Å; D352-Y354 VanDerWaalsContact C-N 3.3Å; D352-Y354 PolarHBondContact O-N 2.83Å; Y354-K388 HydrophobicContact CE1-CD 4.36Å; Y354-K388 VanDerWaalsContact CE1-NZ 3.33Å; Y354-K388 PolarHBondContact OH-NZ 3.1Å; Y354-I394 HydrophobicContact CD1-CG2 3.92Å; Y354-T398 PolarHBondContact O-OG1 3.05Å
355	G	86.4	Confident	93.8	Very high	3 Å²	3	13.9 Å²	13.9	3%	0.031	9%	0.087	C	C	.	.	S	Bend	trans	106	131.6	163.6	0	0	0	0	0	112.5	E357 N401	G355-E357 VanDerWaalsContact C-OE2 3.23Å; G355-E357 VanDerWaalsContact CA-OE2 3.23Å; G355-E357 WeakPolarHBondContact CA-OE2 3.45Å; G355-E357 PolarHBondContact N-OE2 2.8Å; G355-N401 WeakPolarHBondContact O-CB 3.32Å; G355-N401 PolarHBondContact O-ND2 2.9Å
356	G	90.7	Very high	93.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.01	8%	0.08	C	C	.	.	S	Bend	trans	94.7	-22.8	-179.8	0	0	0	0	0	113.9	N358 I359 E360	G356-N358 VanDerWaalsContact C-N 3.31Å; G356-N358 PolarHBondContact O-N 2.77Å; G356-I359 PolarHBondContact O-N 2.88Å; G356-E360 WeakPolarHBondContact O-CB 3.5Å; G356-E360 PolarHBondContact O-N 3.35Å
357	E	93.4	Very high	94	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-65.2	-34.8	-178	78.2	-62.4	147.6	0	0	113	L230 I231 L347 M351 G355 I359 L361	L230-E357 HydrophobicContact CD2-CG 3.87Å; I231-E357 HydrophobicContact CD1-CB 3.67Å; I231-E357 HydrophobicContact CD1-CG 4.16Å; I231-E357 HydrophobicContact CG1-CB 3.77Å; I231-E357 HydrophobicContact CG1-CG 3.83Å; L347-E357 HydrophobicContact CD1-CG 4.37Å; M351-E357 HydrophobicContact SD-CB 4Å; G355-E357 VanDerWaalsContact C-OE2 3.23Å; G355-E357 VanDerWaalsContact CA-OE2 3.23Å; G355-E357 WeakPolarHBondContact CA-OE2 3.45Å; G355-E357 PolarHBondContact N-OE2 2.8Å; E357-I359 VanDerWaalsContact C-N 3.33Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 2.84Å
358	N	93.6	Very high	94.1	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.043	8%	0.081	C	C	.	.	H	α-helix	trans	-73.7	-25.5	178.3	69.8	-61.6	0	0	0	112.5	M329 G356	M329-N358 HydrophobicContact CE-CB 4.06Å; M329-N358 HydrophobicContact CG-CB 4.11Å; M329-N358 WeakPolarHBondContact CG-O 3.42Å; M329-N358 WeakPolarHBondContact O-CB 3.39Å; M329-N358 PolarHBondContact O-ND2 2.98Å; G356-N358 VanDerWaalsContact C-N 3.31Å; G356-N358 PolarHBondContact O-N 2.77Å
359	I	96.3	Very high	94.1	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-85.5	-43.9	175.8	-57.2	-48.5	0	0	0	110.1	Y299 L303 C305 A328 G356 E357 L361 G362 I363	Y299-I359 HydrophobicContact CD1-CD1 3.93Å; Y299-I359 HydrophobicContact CD1-CG2 3.69Å; Y299-I359 HydrophobicContact CD2-CG2 3.8Å; Y299-I359 HydrophobicContact CE1-CG2 3.82Å; Y299-I359 HydrophobicContact CE2-CG2 3.92Å; Y299-I359 HydrophobicContact CG-CD1 4.05Å; Y299-I359 HydrophobicContact CG-CG1 4.37Å; Y299-I359 HydrophobicContact CG-CG2 3.7Å; L303-I359 HydrophobicContact CB-CG2 4.36Å; L303-I359 WeakPolarHBondContact O-CG1 3.43Å; C305-I359 HydrophobicContact CB-CD1 4.12Å; A328-I359 HydrophobicContact CB-CD1 3.76Å; G356-I359 PolarHBondContact O-N 2.88Å; E357-I359 VanDerWaalsContact C-N 3.33Å; I359-L361 PolarHBondContact O-N 3.33Å; I359-G362 PolarHBondContact O-N 3.34Å; I359-I363 HydrophobicContact CG2-CD1 3.77Å; I359-I363 HydrophobicContact CG2-CG1 4.43Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.49Å
360	E	97.5	Very high	94.3	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-57.7	-47.4	176.1	-172.3	-82.8	157.9	0	0	112.2	M351 G356 G362 I363 R364 V405 W409	M351-E360 HydrophobicContact CE-CB 3.8Å; M351-E360 HydrophobicContact CE-CG 3.8Å; G356-E360 WeakPolarHBondContact O-CB 3.5Å; G356-E360 PolarHBondContact O-N 3.35Å; E360-G362 VanDerWaalsContact C-N 3.32Å; E360-G362 PolarHBondContact O-N 2.92Å; E360-I363 PolarHBondContact O-N 2.99Å; E360-R364 VanDerWaalsContact O-CB 3.26Å; E360-R364 WeakPolarHBondContact O-CB 3.32Å; E360-R364 PolarHBondContact O-N 3.39Å; E360-R364 IonicContact OE1-CZ 3.2Å; E360-R364 IonicContact OE1-NE 2.91Å; E360-R364 PolarHBondContact OE1-NE 3.39Å; E360-R364 IonicContact OE1-NH2 2.74Å; E360-R364 PolarHBondContact OE1-NH2 3.35Å; E360-R364 IonicContact OE2-CZ 2.78Å; E360-R364 IonicContact OE2-NE 3.3Å; E360-R364 IonicContact OE2-NH2 2.82Å; E360-R364 PolarHBondContact OE2-NH2 3.17Å; E360-V405 HydrophobicContact CB-CG1 4.04Å; E360-V405 HydrophobicContact CB-CG2 3.72Å; E360-V405 HydrophobicContact CG-CG1 4.19Å; E360-V405 HydrophobicContact CG-CG2 4.05Å; E360-W409 PolarHBondContact OE1-NE1 3.45Å
361	L	97.2	Very high	94.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-41	176.6	-179.5	58.8	0	0	0	111.4	I274 M329 F334 F341 L344 L347 E357 I359 R364 V365	I274-L361 HydrophobicContact CD1-CD1 4.17Å; I274-L361 HydrophobicContact CD1-CD2 4.17Å; I274-L361 HydrophobicContact CD1-CG 4.28Å; M329-L361 HydrophobicContact SD-CD2 3.85Å; F334-L361 HydrophobicContact CD2-CD2 4.28Å; F334-L361 HydrophobicContact CE2-CD2 3.92Å; F334-L361 HydrophobicContact CZ-CD2 4.06Å; F341-L361 HydrophobicContact CD2-CD1 4.45Å; F341-L361 HydrophobicContact CE2-CD1 3.95Å; F341-L361 HydrophobicContact CE2-CD2 3.85Å; L344-L361 HydrophobicContact CD1-CD1 4.42Å; L347-L361 HydrophobicContact CD2-CB 4.3Å; L347-L361 HydrophobicContact CD2-CD2 3.94Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 2.84Å; I359-L361 PolarHBondContact O-N 3.33Å; L361-R364 PolarHBondContact O-N 3.01Å; L361-V365 HydrophobicContact CD1-CG2 3.89Å; L361-V365 HydrophobicContact CG-CG2 4.23Å; L361-V365 WeakPolarHBondContact O-CB 3.44Å; L361-V365 WeakPolarHBondContact O-CG2 3.48Å; L361-V365 PolarHBondContact O-N 3.49Å
362	G	96.9	Very high	94.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.4	-46.2	179.6	0	0	0	0	0	113.5	I359 E360 W366 M372	I359-G362 PolarHBondContact O-N 3.34Å; E360-G362 VanDerWaalsContact C-N 3.32Å; E360-G362 PolarHBondContact O-N 2.92Å; G362-W366 VanDerWaalsContact O-CD1 3.28Å; G362-W366 PolarHBondContact O-N 2.8Å; G362-M372 WeakPolarHBondContact CA-SD 3.2Å
363	I	98.1	Very high	95.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.9	-51	174.4	-65.2	163.7	0	0	0	110.1	Y299 I359 E360 V365 W366 L367 V405 W409 M410 F450 Y453	Y299-I363 HydrophobicContact CE1-CG1 4.38Å; Y299-I363 HydrophobicContact CE2-CD1 4.4Å; Y299-I363 WeakPolarHBondContact OH-CD1 3.36Å; Y299-I363 WeakPolarHBondContact OH-CG1 3.32Å; I359-I363 HydrophobicContact CG2-CD1 3.77Å; I359-I363 HydrophobicContact CG2-CG1 4.43Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.49Å; E360-I363 PolarHBondContact O-N 2.99Å; I363-V365 PolarHBondContact O-N 2.71Å; I363-W366 PolarHBondContact O-N 3.38Å; I363-L367 HydrophobicContact CG2-CD1 3.59Å; I363-L367 HydrophobicContact CG2-CG 4.11Å; I363-L367 WeakPolarHBondContact O-CB 3.26Å; I363-L367 VanDerWaalsContact O-CG 3.3Å; I363-L367 WeakPolarHBondContact O-CG 3.44Å; I363-L367 PolarHBondContact O-N 3.39Å; I363-V405 HydrophobicContact CD1-CG1 3.95Å; I363-W409 HydrophobicContact CG2-CB 3.91Å; I363-W409 HydrophobicContact CG2-CG 4.49Å; I363-M410 HydrophobicContact CD1-CE 3.31Å; I363-F450 HydrophobicContact CD1-CE2 4.01Å; I363-F450 HydrophobicContact CG1-CE2 4.1Å; I363-F450 HydrophobicContact CG2-CD2 3.92Å; I363-F450 HydrophobicContact CG2-CE2 3.8Å; I363-Y453 HydrophobicContact CB-CE2 4.48Å; I363-Y453 HydrophobicContact CG1-CE1 4.45Å; I363-Y453 HydrophobicContact CG1-CE2 4.3Å
364	R	97.8	Very high	95.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.2	-47.6	-179.8	167.5	166.8	35.5	133.8	7.9	112.7	L344 L346 E360 L361 W366 L367 C368 W409	L344-R364 HydrophobicContact CD2-CG 4.33Å; L344-R364 PolarHBondContact O-NH1 2.91Å; L346-R364 PolarHBondContact O-NH1 2.74Å; L346-R364 PolarHBondContact O-NH2 3Å; E360-R364 VanDerWaalsContact O-CB 3.26Å; E360-R364 WeakPolarHBondContact O-CB 3.32Å; E360-R364 PolarHBondContact O-N 3.39Å; E360-R364 IonicContact OE1-CZ 3.2Å; E360-R364 IonicContact OE1-NE 2.91Å; E360-R364 PolarHBondContact OE1-NE 3.39Å; E360-R364 IonicContact OE1-NH2 2.74Å; E360-R364 PolarHBondContact OE1-NH2 3.35Å; E360-R364 IonicContact OE2-CZ 2.78Å; E360-R364 IonicContact OE2-NE 3.3Å; E360-R364 IonicContact OE2-NH2 2.82Å; E360-R364 PolarHBondContact OE2-NH2 3.17Å; L361-R364 PolarHBondContact O-N 3.01Å; R364-W366 VanDerWaalsContact C-N 3.31Å; R364-W366 PolarHBondContact O-N 3Å; R364-L367 PolarHBondContact O-N 2.74Å; R364-C368 VanDerWaalsContact O-CB 3.25Å; R364-C368 WeakPolarHBondContact O-CB 3.34Å; R364-C368 PolarHBondContact O-N 2.95Å; R364-C368 PolarHBondContact O-SG 2.84Å; R364-W409 HydrophobicContact CB-CD2 4.39Å; R364-W409 HydrophobicContact CB-CE3 4.4Å; R364-W409 HydrophobicContact CB-CH2 3.93Å; R364-W409 HydrophobicContact CB-CZ2 3.9Å; R364-W409 HydrophobicContact CB-CZ3 4.15Å; R364-W409 VanDerWaalsContact CD-CZ2 3.43Å; R364-W409 HydrophobicContact CG-CH2 3.63Å; R364-W409 HydrophobicContact CG-CZ2 3.85Å; R364-W409 HydrophobicContact CG-CZ3 4.17Å
365	V	98.3	Very high	96.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-54.4	-48.7	179.3	165.8	0	0	0	0	110.7	I274 L344 L361 I363 G369 G370 M372	I274-V365 HydrophobicContact CD1-CG2 3.55Å; I274-V365 HydrophobicContact CG1-CG2 4.05Å; L344-V365 HydrophobicContact CD1-CG2 3.7Å; L361-V365 HydrophobicContact CD1-CG2 3.89Å; L361-V365 HydrophobicContact CG-CG2 4.23Å; L361-V365 WeakPolarHBondContact O-CB 3.44Å; L361-V365 WeakPolarHBondContact O-CG2 3.48Å; L361-V365 PolarHBondContact O-N 3.49Å; I363-V365 PolarHBondContact O-N 2.71Å; V365-G369 PolarHBondContact O-N 3.18Å; V365-G370 CarbonylContact O-C 3.52Å; V365-G370 WeakPolarHBondContact O-CA 3.29Å; V365-G370 PolarHBondContact O-N 3.12Å; V365-M372 HydrophobicContact CB-CG 4.23Å; V365-M372 HydrophobicContact CG1-CG 3.79Å
366	W	98.4	Very high	96.8	Very high	22 Å²	22	8.1 Å²	8.1	8%	0.083	6%	0.059	C	C	.	.	H	α-helix	trans	-69.8	-42.6	179.9	-79.5	112.6	0	0	0	113.2	R325 T326 G362 I363 R364 C368 M372 W452 Y453 V457	R325-W366 HydrophobicContact CG-CH2 3.67Å; R325-W366 HydrophobicContact CG-CZ2 3.58Å; T326-W366 PolarHBondContact O-NE1 2.63Å; G362-W366 VanDerWaalsContact O-CD1 3.28Å; G362-W366 PolarHBondContact O-N 2.8Å; I363-W366 PolarHBondContact O-N 3.38Å; R364-W366 VanDerWaalsContact C-N 3.31Å; R364-W366 PolarHBondContact O-N 3Å; W366-C368 VanDerWaalsContact C-N 3.33Å; W366-C368 PolarHBondContact O-N 2.88Å; W366-M372 VanDerWaalsContact CZ2-N 3.31Å; W366-W452 WeakPolarHBondContact O-CZ3 3.44Å; W366-Y453 HydrophobicContact CB-CD2 3.71Å; W366-Y453 HydrophobicContact CB-CE2 3.82Å; W366-Y453 AromaticContact CD1-CE2 3.92Å; W366-Y453 HydrophobicContact CG-CD2 4.39Å; W366-Y453 HydrophobicContact CG-CE2 4.11Å; W366-V457 HydrophobicContact CB-CG1 4.33Å; W366-V457 HydrophobicContact CB-CG2 4.01Å; W366-V457 HydrophobicContact CD2-CG1 3.75Å; W366-V457 HydrophobicContact CD2-CG2 4.01Å; W366-V457 HydrophobicContact CE3-CG1 4.49Å; W366-V457 HydrophobicContact CE3-CG2 4.1Å; W366-V457 HydrophobicContact CG-CB 4.49Å; W366-V457 HydrophobicContact CG-CG1 3.64Å; W366-V457 HydrophobicContact CG-CG2 4Å
367	L	98.5	Very high	97.1	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-65.1	-36.7	178.4	-71	-178.2	0	0	0	112.3	I363 R364 W409 C447 K448 S449 W452	I363-L367 HydrophobicContact CG2-CD1 3.59Å; I363-L367 HydrophobicContact CG2-CG 4.11Å; I363-L367 WeakPolarHBondContact O-CB 3.26Å; I363-L367 VanDerWaalsContact O-CG 3.3Å; I363-L367 WeakPolarHBondContact O-CG 3.44Å; I363-L367 PolarHBondContact O-N 3.39Å; R364-L367 PolarHBondContact O-N 2.74Å; L367-W409 HydrophobicContact CD1-CE3 3.9Å; L367-C447 HydrophobicContact CB-CB 4.03Å; L367-C447 CarbonylContact O-C 2.96Å; L367-C447 WeakPolarHBondContact O-CA 3.13Å; L367-K448 HydrophobicContact CD2-CB 4.01Å; L367-K448 WeakPolarHBondContact O-CG 3.44Å; L367-K448 PolarHBondContact O-N 3.39Å; L367-S449 WeakPolarHBondContact CD2-O 3.38Å; L367-W452 HydrophobicContact CD2-CE3 4.33Å
368	C	98.3	Very high	97.3	Very high	22 Å²	22	8.6 Å²	8.6	15%	0.149	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	18.5	-175.7	-50.8	0	0	0	0	113.6	L344 R364 W366 L445 C447	L344-C368 HydrophobicContact CD2-CB 4.24Å; R364-C368 VanDerWaalsContact O-CB 3.25Å; R364-C368 WeakPolarHBondContact O-CB 3.34Å; R364-C368 PolarHBondContact O-N 2.95Å; R364-C368 PolarHBondContact O-SG 2.84Å; W366-C368 VanDerWaalsContact C-N 3.33Å; W366-C368 PolarHBondContact O-N 2.88Å; C368-L445 HydrophobicContact CB-CB 4.32Å; C368-L445 HydrophobicContact CB-CD1 4.37Å; C368-C447 HydrophobicContact CB-CB 4.02Å; C368-C447 WeakPolarHBondContact CB-SG 3.27Å; C368-C447 WeakPolarHBondContact SG-CB 3.29Å; C368-C447 CovalentContact SG-SG 2.03Å; C368-C447 PolarHBondContact SG-SG 2.84Å
369	G	96.8	Very high	97.4	Very high	54 Å²	54	8.2 Å²	8.2	56%	0.557	6%	0.061	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	11.6	166	0	0	0	0	0	117	V365	V365-G369 PolarHBondContact O-N 3.18Å
370	G	98.1	Very high	97.4	Very high	9 Å²	9	8.2 Å²	8.2	9%	0.093	6%	0.061	C	C	.	.			trans	-93.3	-167	164.9	0	0	0	0	0	112.9	K272 Y340 V365	K272-G370 VanDerWaalsContact O-CA 3.26Å; K272-G370 WeakPolarHBondContact O-CA 3.47Å; Y340-G370 WeakPolarHBondContact OH-CA 3.26Å; V365-G370 CarbonylContact O-C 3.52Å; V365-G370 WeakPolarHBondContact O-CA 3.29Å; V365-G370 PolarHBondContact O-N 3.12Å
371	S	97.9	Very high	97.4	Very high	21 Å²	21	8.2 Å²	8.2	15%	0.147	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157.9	173.6	60.8	0	0	0	0	112.5	K272 R273 I274	K272-S371 PolarHBondContact O-N 2.86Å; R273-S371 WeakPolarHBondContact CA-O 3.37Å; I274-S371 PolarHBondContact N-O 2.95Å
372	M	97.4	Very high	97.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.7	171.7	-56.8	-162.2	96.7	0	0	112.2	I274 L276 T326 M329 G362 V365 W366	I274-M372 HydrophobicContact CB-CE 3.79Å; I274-M372 HydrophobicContact CB-CG 4.44Å; I274-M372 HydrophobicContact CG2-CE 3.54Å; I274-M372 WeakPolarHBondContact O-CA 3.36Å; L276-M372 HydrophobicContact CD2-CE 4.24Å; T326-M372 HydrophobicContact CG2-CB 3.58Å; T326-M372 PolarHBondContact N-O 3.45Å; T326-M372 VanDerWaalsContact N-O 3.14Å; M329-M372 HydrophobicContact CB-CE 3.82Å; M329-M372 HydrophobicContact CB-SD 4.41Å; M329-M372 HydrophobicContact CG-CE 3.84Å; M329-M372 HydrophobicContact CG-SD 4.47Å; M329-M372 HydrophobicContact SD-CE 3.92Å; G362-M372 WeakPolarHBondContact CA-SD 3.2Å; V365-M372 HydrophobicContact CB-CG 4.23Å; V365-M372 HydrophobicContact CG1-CG 3.79Å; W366-M372 VanDerWaalsContact CZ2-N 3.31Å
373	E	97.3	Very high	97.4	Very high	19 Å²	19	9.8 Å²	9.8	9%	0.089	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131	-179	-61.1	174.6	-169	0	0	110.9	R266 R273 I274 I275 L276 P323 I324 L375	R266-E373 IonicContact CZ-OE1 2.63Å; R266-E373 IonicContact CZ-OE2 2.79Å; R266-E373 VanDerWaalsContact CZ-OE2 3.26Å; R266-E373 IonicContact NE-OE2 2.85Å; R266-E373 PolarHBondContact NE-OE2 3.12Å; R266-E373 IonicContact NH2-OE1 3.96Å; R266-E373 PolarHBondContact NH2-OE1 3.05Å; R266-E373 IonicContact NH2-OE2 3.6Å; R266-E373 PolarHBondContact NH2-OE2 3.37Å; R273-E373 WeakPolarHBondContact CD-OE1 3.34Å; R273-E373 IonicContact CZ-OE1 3.62Å; R273-E373 IonicContact NE-OE1 2.63Å; R273-E373 PolarHBondContact NE-OE1 2.74Å; R273-E373 IonicContact NE-OE2 2.63Å; I274-E373 PolarHBondContact O-N 3.02Å; I275-E373 HydrophobicContact CD1-CB 3.94Å; L276-E373 PolarHBondContact N-O 2.99Å; P323-E373 HydrophobicContact CB-CB 4.29Å; P323-E373 HydrophobicContact CB-CG 4.4Å; I324-E373 CarbonylContact O-C 3.52Å; I324-E373 WeakPolarHBondContact O-CA 3.46Å; E373-L375 HydrophobicContact CB-CD2 4.42Å
374	V	97.6	Very high	96.8	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.2	162.2	-179.3	0	0	0	0	108.3	L276 S278 H297 I324 T326 P376	L276-V374 HydrophobicContact CB-CG2 4.12Å; L276-V374 HydrophobicContact CD1-CG2 3.96Å; L276-V374 CarbonylContact O-C 3.55Å; L276-V374 WeakPolarHBondContact O-CA 3Å; S278-V374 WeakPolarHBondContact OG-CG1 3.42Å; H297-V374 VanDerWaalsContact CE1-CG2 3.48Å; H297-V374 WeakPolarHBondContact CE1-CG2 3.33Å; I324-V374 HydrophobicContact CB-CB 4.23Å; I324-V374 PolarHBondContact N-O 3.4Å; I324-V374 PolarHBondContact O-N 2.73Å; T326-V374 HydrophobicContact CG2-CG2 4.04Å; V374-P376 WeakPolarHBondContact O-CD 3.32Å
375	L	96.7	Very high	96.4	Very high	8 Å²	8	13.5 Å²	13.5	4%	0.042	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.9	-179	-62.8	-173.9	0	0	0	112.5	P262 V263 R266 I275 L276 S278 P323 E373 C377 S378	P262-L375 HydrophobicContact CB-CD1 4.47Å; V263-L375 HydrophobicContact CG2-CD1 4.3Å; R266-L375 HydrophobicContact CB-CD1 4.31Å; R266-L375 HydrophobicContact CG-CD1 3.84Å; R266-L375 HydrophobicContact CG-CD2 4.17Å; I275-L375 HydrophobicContact CG2-CD1 3.4Å; I275-L375 VanDerWaalsContact CG2-CD1 3.4Å; I275-L375 HydrophobicContact CG2-CG 3.74Å; L276-L375 PolarHBondContact O-N 2.99Å; S278-L375 PolarHBondContact OG-O 2.66Å; P323-L375 HydrophobicContact CB-CD2 3.62Å; P323-L375 HydrophobicContact CG-CD2 3.7Å; E373-L375 HydrophobicContact CB-CD2 4.42Å; L375-C377 PolarHBondContact O-N 3.35Å; L375-S378 PolarHBondContact O-N 2.76Å
376	P	96.3	Very high	95.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	-24.9	173.8	-30.5	37.8	0	0	0	115.6	P140 S278 N294 W314 M320 A322 I324 V374	P140-P376 WeakPolarHBondContact CD-O 3.42Å; P140-P376 HydrophobicContact CG-CB 3.96Å; S278-P376 WeakPolarHBondContact OG-CA 3.28Å; N294-P376 HydrophobicContact CB-CG 4.5Å; W314-P376 HydrophobicContact CZ2-CG 4.35Å; M320-P376 WeakPolarHBondContact O-CB 3.44Å; A322-P376 WeakPolarHBondContact O-CD 3.43Å; A322-P376 WeakPolarHBondContact O-CG 3.38Å; I324-P376 HydrophobicContact CD1-CG 4.14Å; V374-P376 WeakPolarHBondContact O-CD 3.32Å
377	C	96.5	Very high	95.1	Very high	12 Å²	12	23 Å²	23	8%	0.081	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-7.9	176.8	-60.4	0	0	0	0	114.9	R139 C143 P262 L375	R139-C377 WeakPolarHBondContact CD-O 3.43Å; C143-C377 HydrophobicContact CB-CB 3.6Å; C143-C377 WeakPolarHBondContact CB-SG 3.44Å; C143-C377 WeakPolarHBondContact SG-CA 3.47Å; C143-C377 WeakPolarHBondContact SG-CB 3.35Å; C143-C377 CovalentContact SG-SG 2.04Å; C143-C377 PolarHBondContact SG-SG 2.82Å; P262-C377 HydrophobicContact CB-CB 4.25Å; P262-C377 HydrophobicContact CG-CB 4.3Å; L375-C377 PolarHBondContact O-N 3.35Å
378	S	97.1	Very high	94.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.4	173.1	168.5	0	0	0	0	108.5	W259 V263 P277 S278 L375	W259-S378 WeakPolarHBondContact O-CB 3.2Å; W259-S378 PolarHBondContact O-OG 2.73Å; V263-S378 VanDerWaalsContact CG2-OG 3.31Å; V263-S378 WeakPolarHBondContact CG2-OG 3.4Å; P277-S378 CarbonylContact C-O 3.49Å; P277-S378 VanDerWaalsContact CA-O 3.31Å; P277-S378 WeakPolarHBondContact CA-O 3.3Å; P277-S378 WeakPolarHBondContact CB-OG 3.48Å; S278-S378 PolarHBondContact N-O 2.96Å; L375-S378 PolarHBondContact O-N 2.76Å
379	R	96.3	Very high	93.2	Very high	1 Å²	1	29 Å²	29	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.8	-178.4	-56.7	-170	81.6	94.1	-4.2	112.5	R139 T256 S278 D280 Y292 N294	R139-R379 HydrophobicContact CG-CB 4.49Å; R139-R379 HydrophobicContact CG-CG 3.8Å; T256-R379 WeakPolarHBondContact CB-O 3.38Å; T256-R379 HydrophobicContact CG2-CB 3.89Å; T256-R379 WeakPolarHBondContact CG2-O 3.35Å; T256-R379 PolarHBondContact N-O 2.99Å; T256-R379 PolarHBondContact OG1-O 3.28Å; S278-R379 WeakPolarHBondContact O-CA 3.34Å; D280-R379 IonicContact OD1-CZ 3.4Å; D280-R379 IonicContact OD1-NE 2.81Å; D280-R379 PolarHBondContact OD1-NE 2.91Å; D280-R379 IonicContact OD1-NH2 3.56Å; D280-R379 PolarHBondContact OD1-NH2 2.72Å; D280-R379 IonicContact OD2-CZ 2.73Å; D280-R379 IonicContact OD2-NE 3.51Å; D280-R379 PolarHBondContact OD2-NE 3.42Å; D280-R379 IonicContact OD2-NH2 2.73Å; Y292-R379 PolarHBondContact O-NH2 3.26Å; N294-R379 PolarHBondContact OD1-NH1 2.96Å
380	V	97.1	Very high	91.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.4	177.3	178.2	0	0	0	0	107.1	F249 V253 F255 W259 P277 S278 I279 D280	F249-V380 HydrophobicContact CD1-CG1 4.45Å; F249-V380 HydrophobicContact CE1-CG1 4.36Å; F249-V380 HydrophobicContact CE1-CG2 4.14Å; V253-V380 HydrophobicContact CB-CG1 3.72Å; V253-V380 HydrophobicContact CG1-CG1 4.06Å; V253-V380 HydrophobicContact CG2-CG1 4.31Å; F255-V380 HydrophobicContact CD1-CG1 4.26Å; F255-V380 HydrophobicContact CD1-CG2 3.58Å; F255-V380 HydrophobicContact CE1-CG1 4.29Å; F255-V380 HydrophobicContact CE1-CG2 3.87Å; F255-V380 HydrophobicContact CG-CG2 4.41Å; W259-V380 HydrophobicContact CE3-CG2 4.35Å; P277-V380 HydrophobicContact CB-CB 4.26Å; P277-V380 HydrophobicContact CB-CG2 3.86Å; P277-V380 HydrophobicContact CG-CG2 4.05Å; S278-V380 PolarHBondContact O-N 3.16Å; I279-V380 VanDerWaalsContact CA-O 3.28Å; I279-V380 WeakPolarHBondContact CA-O 3.36Å; D280-V380 PolarHBondContact N-O 2.77Å
381	A	97.3	Very high	90.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	144.6	176.7	0	0	0	0	0	110	I135 V253 E254 D280 I282 V289	I135-A381 HydrophobicContact CD1-CB 4.48Å; V253-A381 CarbonylContact C-O 3.55Å; V253-A381 WeakPolarHBondContact CA-O 3.31Å; V253-A381 WeakPolarHBondContact CB-O 3.22Å; E254-A381 PolarHBondContact N-O 2.91Å; E254-A381 PolarHBondContact O-N 3.34Å; D280-A381 HydrophobicContact CB-CB 4.09Å; D280-A381 CarbonylContact O-C 3.57Å; D280-A381 VanDerWaalsContact O-CA 3.29Å; D280-A381 WeakPolarHBondContact O-CA 3.44Å; I282-A381 HydrophobicContact CD1-CB 3.82Å; I282-A381 HydrophobicContact CG1-CB 3.5Å; I282-A381 VanDerWaalsContact CG1-CB 3.5Å; V289-A381 HydrophobicContact CG1-CB 3.98Å
382	H	96.8	Very high	89.4	Confident	30 Å²	30	38 Å²	38	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.1	-175.9	177.4	-89.6	0	0	0	111.6	D250 H252 V253 I279 D280 I282 C332 A384	D250-H382 IonicContact OD2-CD2 3.57Å; D250-H382 IonicContact OD2-CE1 3.43Å; D250-H382 IonicContact OD2-NE2 3.65Å; D250-H382 PolarHBondContact OD2-NE2 3.37Å; H252-H382 AromaticContact CD2-CD2 3.97Å; H252-H382 AromaticContact CD2-CE1 3.72Å; H252-H382 AromaticContact CD2-NE2 3.39Å; H252-H382 PolarHBondContact CD2-NE2 2.97Å; H252-H382 AromaticContact NE2-CE1 3.72Å; H252-H382 AromaticContact NE2-NE2 3.39Å; H252-H382 PolarHBondContact NE2-NE2 2.78Å; V253-H382 HydrophobicContact CG1-CB 4.22Å; I279-H382 HydrophobicContact CG2-CB 3.61Å; D280-H382 PolarHBondContact O-N 3.37Å; I282-H382 PolarHBondContact N-O 2.88Å; C332-H382 WeakPolarHBondContact CB-NE2 3.49Å; H382-A384 PolarHBondContact O-N 2.7Å
383	I	96.6	Very high	88.6	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	102.5	-179.3	-51.7	-179.2	0	0	0	111.6	Y121 V168 H252 I282 H284 F287 R385	Y121-I383 HydrophobicContact CD1-CG2 3.89Å; Y121-I383 HydrophobicContact CG-CG2 3.95Å; V168-I383 HydrophobicContact CG1-CD1 3.66Å; V168-I383 HydrophobicContact CG2-CD1 4.04Å; H252-I383 HydrophobicContact CB-CB 4.32Å; H252-I383 HydrophobicContact CB-CD1 3.99Å; H252-I383 HydrophobicContact CB-CG1 4.17Å; H252-I383 PolarHBondContact O-N 2.72Å; H252-I383 VanDerWaalsContact O-N 3.13Å; I282-I383 HydrophobicContact CB-CG1 3.99Å; I282-I383 HydrophobicContact CD1-CG1 3.93Å; I282-I383 HydrophobicContact CG2-CG1 4.07Å; H284-I383 HydrophobicContact CB-CG2 4.47Å; F287-I383 HydrophobicContact CE1-CD1 3.52Å; F287-I383 HydrophobicContact CE1-CG1 4.37Å; F287-I383 HydrophobicContact CZ-CD1 3.84Å; I383-R385 PolarHBondContact O-N 3.23Å
384	A	86.9	Confident	87.8	Confident	38 Å²	38	42.7 Å²	42.7	31%	0.314	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	87.3	176.4	0	0	0	0	0	111.7	N281 I282 H284 H382	N281-A384 WeakPolarHBondContact OD1-CB 3.48Å; I282-A384 PolarHBondContact O-N 3.23Å; H284-A384 WeakPolarHBondContact CB-O 3.43Å; H284-A384 PolarHBondContact ND1-O 2.87Å; H382-A384 PolarHBondContact O-N 2.7Å
385	R	88.3	Confident	87.1	Confident	40 Å²	40	45 Å²	45	15%	0.151	24%	0.243	C	C	.	.			trans	-60.2	145	-177	-48.7	-170.8	-176.3	-124.8	-6	113.5	Y119 G120 Y121 E164 H252 I383 K387 Y390	Y119-R385 PolarHBondContact O-NH1 3.06Å; G120-R385 WeakPolarHBondContact O-CA 3.34Å; Y121-R385 HydrophobicContact CD1-CG 4.23Å; E164-R385 IonicContact OE1-CZ 3.78Å; E164-R385 IonicContact OE1-NH1 3.48Å; E164-R385 PolarHBondContact OE1-NH1 2.9Å; E164-R385 IonicContact OE1-NH2 2.73Å; E164-R385 PolarHBondContact OE1-NH2 3.03Å; E164-R385 IonicContact OE2-CZ 3.77Å; E164-R385 IonicContact OE2-NH2 3.02Å; E164-R385 PolarHBondContact OE2-NH2 2.79Å; H252-R385 PolarHBondContact CE1-NH2 2.71Å; H252-R385 PolarHBondContact ND1-NH2 3.04Å; H252-R385 PolarHBondContact NE2-NE 3.35Å; H252-R385 PolarHBondContact NE2-NH2 3.04Å; I383-R385 PolarHBondContact O-N 3.23Å; R385-K387 VanDerWaalsContact C-N 3.26Å; R385-K387 VanDerWaalsContact CB-O 3.26Å; R385-K387 WeakPolarHBondContact CB-O 3.4Å; R385-K387 PolarHBondContact O-N 3.42Å; R385-Y390 PolarHBondContact NE-OH 2.84Å; R385-Y390 PolarHBondContact NH2-OH 3.18Å
386	M	86.9	Confident	86.7	Confident	145 Å²	145	49 Å²	49	71%	0.714	26%	0.261	S	S	*	.	S	Bend	trans	-60.2	-34.2	167	-79	-85.6	-84.1	0	0	113.1	G120 H284	G120-M386 PolarHBondContact O-N 2.96Å; H284-M386 VanDerWaalsContact CD2-CG 3.4Å; H284-M386 WeakPolarHBondContact CD2-CG 3.43Å; H284-M386 VanDerWaalsContact CE1-CG 3.47Å; H284-M386 WeakPolarHBondContact CE1-CG 3.27Å; H284-M386 WeakPolarHBondContact NE2-CG 3.28Å
387	K	82.8	Confident	86.3	Confident	77 Å²	77	50.3 Å²	50.3	34%	0.335	27%	0.266	S	S	.	.	S	Bend	trans	-151.5	159.6	-179.8	61.5	175	-176.9	168.4	0	111.4	E117 R385 P389	E117-K387 WeakPolarHBondContact O-CE 3.5Å; E117-K387 PolarHBondContact O-NZ 3.49Å; E117-K387 IonicContact OE1-NZ 3.57Å; E117-K387 PolarHBondContact OE1-NZ 2.87Å; E117-K387 VanDerWaalsContact OE2-CE 3.32Å; E117-K387 WeakPolarHBondContact OE2-CE 3.36Å; E117-K387 IonicContact OE2-NZ 3.59Å; E117-K387 PolarHBondContact OE2-NZ 3.06Å; R385-K387 VanDerWaalsContact C-N 3.26Å; R385-K387 VanDerWaalsContact CB-O 3.26Å; R385-K387 WeakPolarHBondContact CB-O 3.4Å; R385-K387 PolarHBondContact O-N 3.42Å; K387-P389 WeakPolarHBondContact O-CD 3.28Å
388	K	80.9	Confident	86	Confident	93 Å²	93	49.7 Å²	49.7	40%	0.404	26%	0.263	S	S	.	.			trans	-97.3	106.8	177.2	-64.6	178.6	-176.2	-179.9	0	108.7	Y354 Y390 I394	Y354-K388 HydrophobicContact CE1-CD 4.36Å; Y354-K388 VanDerWaalsContact CE1-NZ 3.33Å; Y354-K388 PolarHBondContact OH-NZ 3.1Å; K388-Y390 HydrophobicContact CB-CD2 4.34Å; K388-Y390 PolarHBondContact O-N 3.44Å; K388-I394 HydrophobicContact CB-CD1 3.67Å; K388-I394 HydrophobicContact CD-CD1 3.83Å; K388-I394 HydrophobicContact CG-CD1 4.34Å
389	P	75.3	Confident	85.8	Confident	56 Å²	56	53.1 Å²	53.1	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.9	-171	30.8	-36.2	0	0	0	114.5	K387	K387-P389 WeakPolarHBondContact O-CD 3.28Å
390	Y	70.9	Confident	85.8	Confident	70 Å²	70	54.5 Å²	54.5	28%	0.275	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-27	-165	-43.4	-62.1	0	0	0	115.5	V162 R385 K388	V162-Y390 HydrophobicContact CG1-CD1 3.89Å; V162-Y390 HydrophobicContact CG1-CE1 4.18Å; R385-Y390 PolarHBondContact NE-OH 2.84Å; R385-Y390 PolarHBondContact NH2-OH 3.18Å; K388-Y390 HydrophobicContact CB-CD2 4.34Å; K388-Y390 PolarHBondContact O-N 3.44Å
391	H	71.5	Confident	85.7	Confident	81 Å²	81	54.5 Å²	54.5	38%	0.375	28%	0.281	S	S	.	.			trans	-160.8	145.9	174.9	-151.8	-61.8	0	0	0	111.8	N393 H397	H391-N393 VanDerWaalsContact C-N 3.33Å; H391-N393 PolarHBondContact ND1-N 3.16Å; H391-N393 PolarHBondContact O-N 2.86Å; H391-H397 AromaticContact CD2-NE2 3.89Å; H391-H397 AromaticContact NE2-NE2 3.7Å
392	S	71.2	Confident	85.7	Confident	121 Å²	121	54.5 Å²	54.5	85%	0.846	28%	0.28	S	S	*	.	S	Bend	trans	-74.2	-9.9	177.9	54.3	0	0	0	0	116
393	N	79.6	Confident	85.7	Confident	80 Å²	80	53 Å²	53	43%	0.428	27%	0.274	S	S	.	.			trans	-142.6	60.6	-172	-169.5	-3.1	0	0	0	111.3	H391 A395 F396 H397	H391-N393 VanDerWaalsContact C-N 3.33Å; H391-N393 PolarHBondContact ND1-N 3.16Å; H391-N393 PolarHBondContact O-N 2.86Å; N393-A395 PolarHBondContact O-N 2.81Å; N393-F396 PolarHBondContact O-N 2.91Å; N393-F396 WeakPolarHBondContact OD1-CB 3.49Å; N393-F396 PolarHBondContact OD1-N 3.1Å; N393-H397 PolarHBondContact O-CD2 3.05Å
394	I	81.7	Confident	85.7	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.195	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-36.4	-179.6	-59.7	177.2	0	0	0	110.9	W304 Y354 K388 F396 H397 T398	W304-I394 HydrophobicContact CH2-CG2 4.41Å; Y354-I394 HydrophobicContact CD1-CG2 3.92Å; K388-I394 HydrophobicContact CB-CD1 3.67Å; K388-I394 HydrophobicContact CD-CD1 3.83Å; K388-I394 HydrophobicContact CG-CD1 4.34Å; I394-F396 VanDerWaalsContact C-N 3.29Å; I394-F396 PolarHBondContact O-N 3.46Å; I394-H397 PolarHBondContact O-N 2.86Å; I394-H397 VanDerWaalsContact O-N 3.15Å; I394-T398 PolarHBondContact O-N 3.18Å; I394-T398 PolarHBondContact O-OG1 3.28Å
395	A	83.6	Confident	86.2	Confident	50 Å²	50	51.5 Å²	51.5	41%	0.413	26%	0.26	S	S	.	.	H	α-helix	trans	-58.5	-35.9	-179.7	0	0	0	0	0	113.5	N393 R399	N393-A395 PolarHBondContact O-N 2.81Å; A395-R399 WeakPolarHBondContact O-CB 3.48Å; A395-R399 PolarHBondContact O-N 2.85Å
396	F	86.9	Confident	86.7	Confident	94 Å²	94	49.6 Å²	49.6	41%	0.412	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-49.5	174.5	176.1	-94.7	0	0	0	112.1	N393 I394 R400	N393-F396 PolarHBondContact O-N 2.91Å; N393-F396 WeakPolarHBondContact OD1-CB 3.49Å; N393-F396 PolarHBondContact OD1-N 3.1Å; I394-F396 VanDerWaalsContact C-N 3.29Å; I394-F396 PolarHBondContact O-N 3.46Å; F396-R400 PolarHBondContact O-N 3.46Å; F396-R400 VanDerWaalsContact O-N 3.1Å
397	H	88.2	Confident	87.2	Confident	26 Å²	26	45.3 Å²	45.3	12%	0.12	23%	0.23	C	C	.	.	H	α-helix	trans	-68.6	-45.3	179.9	-65.2	-75.7	0	0	0	111.9	H391 N393 I394 R399 R400 N401	H391-H397 AromaticContact CD2-NE2 3.89Å; H391-H397 AromaticContact NE2-NE2 3.7Å; N393-H397 PolarHBondContact O-CD2 3.05Å; I394-H397 PolarHBondContact O-N 2.86Å; I394-H397 VanDerWaalsContact O-N 3.15Å; H397-R399 VanDerWaalsContact C-N 3.33Å; H397-R399 PolarHBondContact O-N 3.15Å; H397-R400 WeakPolarHBondContact O-CB 3.47Å; H397-R400 PolarHBondContact O-N 3.02Å; H397-R400 VanDerWaalsContact O-N 3.16Å; H397-N401 WeakPolarHBondContact O-CB 3.5Å; H397-N401 PolarHBondContact O-N 3.42Å; H397-N401 PolarHBondContact O-ND2 3.13Å; H397-N401 PolarHBondContact O-OD1 2.89Å
398	T	90.1	Very high	87.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-38.4	178.3	-51.5	0	0	0	0	111.7	W304 Y354 I394 N401 A402 W421	W304-T398 HydrophobicContact CE3-CG2 4.11Å; W304-T398 HydrophobicContact CH2-CG2 3.66Å; W304-T398 WeakPolarHBondContact CH2-OG1 3.23Å; W304-T398 HydrophobicContact CZ2-CG2 4.13Å; W304-T398 HydrophobicContact CZ3-CG2 3.66Å; Y354-T398 PolarHBondContact O-OG1 3.05Å; I394-T398 PolarHBondContact O-N 3.18Å; I394-T398 PolarHBondContact O-OG1 3.28Å; T398-N401 PolarHBondContact O-N 3.13Å; T398-A402 WeakPolarHBondContact O-CB 3.15Å; T398-A402 PolarHBondContact O-N 3.19Å; T398-W421 HydrophobicContact CG2-CZ2 4.26Å
399	R	93.4	Very high	88.7	Confident	71 Å²	71	37.5 Å²	37.5	27%	0.268	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-43.3	172.9	-174.6	175.6	64.9	173.7	2.9	112.3	A395 H397 A402 L403 W421 I430	A395-R399 WeakPolarHBondContact O-CB 3.48Å; A395-R399 PolarHBondContact O-N 2.85Å; H397-R399 VanDerWaalsContact C-N 3.33Å; H397-R399 PolarHBondContact O-N 3.15Å; R399-A402 PolarHBondContact O-N 3.34Å; R399-L403 PolarHBondContact O-N 2.83Å; R399-W421 HydrophobicContact CB-CD2 3.89Å; R399-W421 HydrophobicContact CB-CE3 3.78Å; R399-W421 HydrophobicContact CB-CH2 3.88Å; R399-W421 HydrophobicContact CB-CZ2 4Å; R399-W421 HydrophobicContact CB-CZ3 3.78Å; R399-W421 HydrophobicContact CG-CB 4.32Å; R399-W421 HydrophobicContact CG-CD2 3.63Å; R399-W421 HydrophobicContact CG-CE3 3.73Å; R399-W421 HydrophobicContact CG-CG 3.92Å; R399-W421 HydrophobicContact CG-CZ3 4.26Å; R399-I430 HydrophobicContact CG-CD1 4.21Å
400	R	94.9	Very high	89.8	Confident	31 Å²	31	34.8 Å²	34.8	12%	0.117	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-50	175.1	-174.1	-174	176.5	-91	-8.1	111	G350 D352 F396 H397 A402 L403 R404 D431 F432	G350-R400 PolarHBondContact O-NH1 2.66Å; D352-R400 IonicContact OD1-NH1 2.67Å; D352-R400 IonicContact OD2-CZ 3.18Å; D352-R400 VanDerWaalsContact OD2-CZ 3.29Å; D352-R400 IonicContact OD2-NE 2.63Å; D352-R400 IonicContact OD2-NH1 3.93Å; D352-R400 PolarHBondContact OD2-NH1 3.13Å; F396-R400 PolarHBondContact O-N 3.46Å; F396-R400 VanDerWaalsContact O-N 3.1Å; H397-R400 WeakPolarHBondContact O-CB 3.47Å; H397-R400 PolarHBondContact O-N 3.02Å; H397-R400 VanDerWaalsContact O-N 3.16Å; R400-A402 PolarHBondContact O-N 3.05Å; R400-L403 PolarHBondContact O-N 3.05Å; R400-R404 PolarHBondContact O-N 3.49Å; R400-D431 WeakPolarHBondContact CD-O 3.5Å; R400-D431 WeakPolarHBondContact CG-O 3.48Å; R400-D431 PolarHBondContact NE-O 2.65Å; R400-F432 HydrophobicContact CG-CB 4.24Å; R400-F432 PolarHBondContact NH2-O 3.18Å
401	N	95.9	Very high	91.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-40.6	-179.3	-62.9	-12.2	0	0	0	111.4	M351 D352 G355 H397 T398 L403 R404 V405	M351-N401 WeakPolarHBondContact CA-OD1 3.46Å; M351-N401 HydrophobicContact CB-CB 4.29Å; M351-N401 WeakPolarHBondContact CB-OD1 3.36Å; M351-N401 HydrophobicContact CG-CB 3.94Å; M351-N401 HydrophobicContact SD-CB 4.13Å; D352-N401 PolarHBondContact N-OD1 2.95Å; D352-N401 PolarHBondContact O-ND2 3.16Å; G355-N401 WeakPolarHBondContact O-CB 3.32Å; G355-N401 PolarHBondContact O-ND2 2.9Å; H397-N401 WeakPolarHBondContact O-CB 3.5Å; H397-N401 PolarHBondContact O-N 3.42Å; H397-N401 PolarHBondContact O-ND2 3.13Å; H397-N401 PolarHBondContact O-OD1 2.89Å; T398-N401 PolarHBondContact O-N 3.13Å; N401-L403 VanDerWaalsContact C-N 3.31Å; N401-L403 PolarHBondContact O-N 2.88Å; N401-R404 WeakPolarHBondContact O-CA 3.36Å; N401-R404 WeakPolarHBondContact O-CB 3.44Å; N401-R404 PolarHBondContact O-N 3.06Å; N401-V405 WeakPolarHBondContact O-CG2 3.47Å; N401-V405 PolarHBondContact O-N 3.29Å; N401-V405 VanDerWaalsContact O-N 3.09Å
402	A	96.7	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-38.2	178	0	0	0	0	0	112.6	L303 T398 R399 R400 V405 A406 V417	L303-A402 HydrophobicContact CB-CB 4.32Å; L303-A402 HydrophobicContact CD1-CB 3.99Å; L303-A402 HydrophobicContact CG-CB 4.06Å; T398-A402 WeakPolarHBondContact O-CB 3.15Å; T398-A402 PolarHBondContact O-N 3.19Å; R399-A402 PolarHBondContact O-N 3.34Å; R400-A402 PolarHBondContact O-N 3.05Å; A402-V405 PolarHBondContact O-N 2.84Å; A402-A406 WeakPolarHBondContact O-CB 3.28Å; A402-A406 PolarHBondContact O-N 3.1Å; A402-V417 HydrophobicContact CB-CG1 4.25Å
403	L	96.9	Very high	93.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-37.4	172.3	-68.2	-175.1	0	0	0	112.5	R399 R400 N401 V405 A406 E407 Y418 I423 I430 F432	R399-L403 PolarHBondContact O-N 2.83Å; R400-L403 PolarHBondContact O-N 3.05Å; N401-L403 VanDerWaalsContact C-N 3.31Å; N401-L403 PolarHBondContact O-N 2.88Å; L403-V405 VanDerWaalsContact C-N 3.32Å; L403-V405 PolarHBondContact O-N 3.28Å; L403-A406 PolarHBondContact O-N 2.96Å; L403-E407 WeakPolarHBondContact O-CB 3.5Å; L403-E407 WeakPolarHBondContact O-CG 3.4Å; L403-E407 PolarHBondContact O-N 3.25Å; L403-Y418 HydrophobicContact CD1-CE1 4.47Å; L403-Y418 HydrophobicContact CD2-CD1 4.21Å; L403-Y418 HydrophobicContact CD2-CD2 4.2Å; L403-Y418 HydrophobicContact CD2-CE1 3.77Å; L403-Y418 HydrophobicContact CD2-CE2 3.76Å; L403-Y418 HydrophobicContact CD2-CG 4.41Å; L403-I423 HydrophobicContact CD1-CD1 4.05Å; L403-I423 HydrophobicContact CD2-CD1 4.11Å; L403-I423 HydrophobicContact CG-CD1 4.48Å; L403-I430 HydrophobicContact CD1-CB 4.18Å; L403-I430 HydrophobicContact CD1-CD1 4.16Å; L403-I430 HydrophobicContact CD1-CG2 4.14Å; L403-F432 HydrophobicContact CB-CB 4.07Å; L403-F432 HydrophobicContact CB-CD1 3.98Å; L403-F432 HydrophobicContact CB-CG 4.15Å; L403-F432 HydrophobicContact CD1-CD1 4.18Å
404	R	97.4	Very high	94.1	Very high	9 Å²	9	28.6 Å²	28.6	3%	0.034	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-41.2	172.4	-59.5	-178.4	58.8	76.4	3.3	112	D348 G350 R400 N401 V408 F432 G433 D434 V435	D348-R404 IonicContact OD1-NH2 3.59Å; D348-R404 PolarHBondContact OD1-NH2 3.02Å; D348-R404 IonicContact OD2-CZ 2.91Å; D348-R404 IonicContact OD2-NE 2.79Å; D348-R404 PolarHBondContact OD2-NE 2.84Å; D348-R404 IonicContact OD2-NH2 2.7Å; D348-R404 PolarHBondContact OD2-NH2 2.82Å; G350-R404 PolarHBondContact O-NE 2.61Å; R400-R404 PolarHBondContact O-N 3.49Å; N401-R404 WeakPolarHBondContact O-CA 3.36Å; N401-R404 WeakPolarHBondContact O-CB 3.44Å; N401-R404 PolarHBondContact O-N 3.06Å; R404-V408 VanDerWaalsContact O-CG2 3.26Å; R404-V408 WeakPolarHBondContact O-CG2 3.39Å; R404-V408 PolarHBondContact O-N 2.99Å; R404-F432 VanDerWaalsContact CD-O 3.28Å; R404-F432 WeakPolarHBondContact CD-O 3.03Å; R404-F432 HydrophobicContact CG-CB 3.88Å; R404-F432 HydrophobicContact CG-CD2 4.36Å; R404-F432 VanDerWaalsContact CG-O 3.25Å; R404-F432 WeakPolarHBondContact CG-O 3.37Å; R404-F432 PolarHBondContact NH1-O 3.44Å; R404-G433 PolarHBondContact NH1-O 2.94Å; R404-D434 PolarHBondContact NH1-O 3.43Å; R404-D434 PolarHBondContact NH2-O 2.79Å; R404-V435 HydrophobicContact CB-CG1 4.27Å; R404-V435 HydrophobicContact CG-CG1 4.31Å
405	V	98.1	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-45.7	175.3	-167.7	0	0	0	0	110.8	L303 M351 E360 I363 N401 A402 L403 V408 W409 M410	L303-V405 HydrophobicContact CD1-CB 3.66Å; L303-V405 HydrophobicContact CD1-CG1 3.95Å; L303-V405 HydrophobicContact CD1-CG2 3.97Å; M351-V405 HydrophobicContact CE-CG2 3.49Å; M351-V405 VanDerWaalsContact CE-CG2 3.49Å; E360-V405 HydrophobicContact CB-CG1 4.04Å; E360-V405 HydrophobicContact CB-CG2 3.72Å; E360-V405 HydrophobicContact CG-CG1 4.19Å; E360-V405 HydrophobicContact CG-CG2 4.05Å; I363-V405 HydrophobicContact CD1-CG1 3.95Å; N401-V405 WeakPolarHBondContact O-CG2 3.47Å; N401-V405 PolarHBondContact O-N 3.29Å; N401-V405 VanDerWaalsContact O-N 3.09Å; A402-V405 PolarHBondContact O-N 2.84Å; L403-V405 VanDerWaalsContact C-N 3.32Å; L403-V405 PolarHBondContact O-N 3.28Å; V405-V408 PolarHBondContact O-N 3Å; V405-W409 HydrophobicContact CG1-CB 4.45Å; V405-W409 WeakPolarHBondContact O-CB 3.47Å; V405-W409 PolarHBondContact O-N 2.98Å; V405-M410 HydrophobicContact CG1-CE 3.98Å
406	A	97.5	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-47.4	-175.8	0	0	0	0	0	111.8	A402 L403 V408 M410 K414 V417	A402-A406 WeakPolarHBondContact O-CB 3.28Å; A402-A406 PolarHBondContact O-N 3.1Å; L403-A406 PolarHBondContact O-N 2.96Å; A406-V408 PolarHBondContact O-N 3.26Å; A406-M410 HydrophobicContact CB-SD 4.33Å; A406-M410 PolarHBondContact O-N 3.18Å; A406-K414 HydrophobicContact CB-CB 3.85Å; A406-K414 WeakPolarHBondContact O-CB 3.49Å; A406-V417 HydrophobicContact CB-CB 4.05Å; A406-V417 HydrophobicContact CB-CG1 4.19Å; A406-V417 HydrophobicContact CB-CG2 3.95Å
407	E	97.1	Very high	95.6	Very high	54 Å²	54	21 Å²	21	25%	0.252	10%	0.096	S	C	.	.	H	α-helix	trans	-69.8	-26.7	-179.7	-71.1	-60.4	142.9	0	0	114.4	L403 K414 Y418 F432	L403-E407 WeakPolarHBondContact O-CB 3.5Å; L403-E407 WeakPolarHBondContact O-CG 3.4Å; L403-E407 PolarHBondContact O-N 3.25Å; E407-K414 WeakPolarHBondContact OE1-CD 3.37Å; E407-K414 WeakPolarHBondContact OE1-CE 3.26Å; E407-K414 IonicContact OE1-NZ 3.77Å; E407-K414 PolarHBondContact OE1-NZ 3.33Å; E407-K414 IonicContact OE2-NZ 2.72Å; E407-K414 PolarHBondContact OE2-NZ 3.48Å; E407-Y418 PolarHBondContact OE1-OH 3.19Å; E407-F432 HydrophobicContact CB-CE2 4.44Å; E407-F432 HydrophobicContact CG-CE1 4.28Å; E407-F432 HydrophobicContact CG-CE2 4.12Å; E407-F432 HydrophobicContact CG-CZ 3.78Å
408	V	98.2	Very high	95.8	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.024	9%	0.091	C	C	.	.	H	α-helix	trans	-90.2	-43.2	178.8	179.2	0	0	0	0	112.5	R404 V405 A406 V435 R438 V439 R442	R404-V408 VanDerWaalsContact O-CG2 3.26Å; R404-V408 WeakPolarHBondContact O-CG2 3.39Å; R404-V408 PolarHBondContact O-N 2.99Å; V405-V408 PolarHBondContact O-N 3Å; A406-V408 PolarHBondContact O-N 3.26Å; V408-V435 HydrophobicContact CG2-CB 3.67Å; V408-V435 HydrophobicContact CG2-CG1 4.01Å; V408-V435 HydrophobicContact CG2-CG2 4.31Å; V408-R438 HydrophobicContact CB-CB 4.47Å; V408-R438 HydrophobicContact CG1-CB 3.83Å; V408-R438 HydrophobicContact CG2-CB 3.77Å; V408-V439 HydrophobicContact CG2-CG2 4.19Å; V408-R442 WeakPolarHBondContact O-CD 3.49Å; V408-R442 PolarHBondContact O-NH1 2.87Å
409	W	98.3	Very high	95.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-118.6	-12.8	-159.7	-62.3	111.9	0	0	0	115.5	E360 I363 R364 L367 V405 R442 C447 F450	E360-W409 PolarHBondContact OE1-NE1 3.45Å; I363-W409 HydrophobicContact CG2-CB 3.91Å; I363-W409 HydrophobicContact CG2-CG 4.49Å; R364-W409 HydrophobicContact CB-CD2 4.39Å; R364-W409 HydrophobicContact CB-CE3 4.4Å; R364-W409 HydrophobicContact CB-CH2 3.93Å; R364-W409 HydrophobicContact CB-CZ2 3.9Å; R364-W409 HydrophobicContact CB-CZ3 4.15Å; R364-W409 VanDerWaalsContact CD-CZ2 3.43Å; R364-W409 HydrophobicContact CG-CH2 3.63Å; R364-W409 HydrophobicContact CG-CZ2 3.85Å; R364-W409 HydrophobicContact CG-CZ3 4.17Å; L367-W409 HydrophobicContact CD1-CE3 3.9Å; V405-W409 HydrophobicContact CG1-CB 4.45Å; V405-W409 WeakPolarHBondContact O-CB 3.47Å; V405-W409 PolarHBondContact O-N 2.98Å; W409-R442 HydrophobicContact CE3-CB 4.35Å; W409-R442 HydrophobicContact CE3-CG 3.94Å; W409-R442 HydrophobicContact CH2-CB 3.7Å; W409-R442 HydrophobicContact CH2-CG 4.05Å; W409-R442 HydrophobicContact CZ2-CB 4.45Å; W409-R442 HydrophobicContact CZ3-CB 3.68Å; W409-R442 HydrophobicContact CZ3-CG 3.46Å; W409-R442 VanDerWaalsContact CZ3-CG 3.46Å; W409-C447 HydrophobicContact CZ3-CB 4.33Å; W409-F450 WeakPolarHBondContact O-CB 3.28Å; W409-F450 VanDerWaalsContact O-CD2 3.28Å; W409-F450 WeakPolarHBondContact O-CD2 3.38Å
410	M	97.7	Very high	95.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.			trans	-105.6	0.9	-169.3	-62.3	-170.6	167.8	0	0	115.7	Y299 W301 L303 I363 V405 A406 E412 Y413 K414 V417 F450	Y299-M410 HydrophobicContact CE2-CE 4.19Å; W301-M410 HydrophobicContact CZ3-SD 4.42Å; L303-M410 HydrophobicContact CD1-CE 3.81Å; L303-M410 HydrophobicContact CD2-CE 3.63Å; L303-M410 HydrophobicContact CD2-SD 4.33Å; L303-M410 HydrophobicContact CG-CE 4.42Å; I363-M410 HydrophobicContact CD1-CE 3.31Å; V405-M410 HydrophobicContact CG1-CE 3.98Å; A406-M410 HydrophobicContact CB-SD 4.33Å; A406-M410 PolarHBondContact O-N 3.18Å; M410-E412 PolarHBondContact O-N 3.36Å; M410-Y413 WeakPolarHBondContact O-CA 3.22Å; M410-Y413 VanDerWaalsContact O-CB 3.29Å; M410-Y413 WeakPolarHBondContact O-CB 3.33Å; M410-Y413 PolarHBondContact O-N 3.35Å; M410-K414 HydrophobicContact CB-CB 4.14Å; M410-K414 PolarHBondContact O-N 2.85Å; M410-V417 HydrophobicContact SD-CG2 3.56Å; M410-V417 VanDerWaalsContact SD-CG2 3.56Å; M410-F450 HydrophobicContact CB-CD1 4.19Å; M410-F450 HydrophobicContact CB-CE1 4.32Å; M410-F450 HydrophobicContact CB-CG 4.28Å; M410-F450 HydrophobicContact CE-CE2 4.17Å; M410-F450 HydrophobicContact CE-CZ 3.94Å; M410-F450 HydrophobicContact CG-CD1 4.39Å; M410-F450 HydrophobicContact CG-CD2 4.17Å; M410-F450 HydrophobicContact CG-CE1 4.15Å; M410-F450 HydrophobicContact CG-CE2 3.96Å; M410-F450 HydrophobicContact CG-CG 4.38Å; M410-F450 HydrophobicContact CG-CZ 3.94Å; M410-F450 HydrophobicContact SD-CZ 4.26Å
411	D	97.1	Very high	95.7	Very high	46 Å²	46	17.7 Å²	17.7	25%	0.246	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	50.1	-134.1	177	-55.9	-35.7	0	0	0	111.5	Y413 K414 R442 S449 F450	D411-Y413 PolarHBondContact O-N 2.63Å; D411-K414 WeakPolarHBondContact O-CB 3.47Å; D411-K414 WeakPolarHBondContact O-CD 3.41Å; D411-K414 WeakPolarHBondContact O-CG 3.4Å; D411-K414 PolarHBondContact O-N 3.4Å; D411-R442 VanDerWaalsContact CG-NH2 3.32Å; D411-R442 IonicContact OD1-CZ 2.67Å; D411-R442 VanDerWaalsContact OD1-CZ 3.25Å; D411-R442 IonicContact OD1-NH1 3.14Å; D411-R442 PolarHBondContact OD1-NH1 2.84Å; D411-R442 IonicContact OD1-NH2 3.32Å; D411-R442 PolarHBondContact OD1-NH2 3.4Å; D411-R442 IonicContact OD2-CZ 2.65Å; D411-R442 IonicContact OD2-NH1 2.67Å; D411-R442 IonicContact OD2-NH2 2.7Å; D411-R442 PolarHBondContact OD2-NH2 3.23Å; D411-S449 WeakPolarHBondContact OD2-CA 3.3Å; D411-F450 HydrophobicContact CB-CB 4.38Å; D411-F450 PolarHBondContact OD2-N 2.94Å
412	E	94.9	Very high	95.5	Very high	109 Å²	109	18.4 Å²	18.4	51%	0.509	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-63.9	-24.9	176	65.5	-78.6	-180	0	0	114	M410 K414 S415	M410-E412 PolarHBondContact O-N 3.36Å; E412-K414 PolarHBondContact O-N 2.89Å; E412-S415 PolarHBondContact O-N 3.45Å; E412-S415 PolarHBondContact O-OG 3.06Å
413	Y	95.8	Very high	95.3	Very high	10 Å²	10	19 Å²	19	4%	0.039	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-72.9	-10.2	-179.3	-69.2	-86.2	0	0	0	113.6	W301 M410 D411 S415 N416 F450 Q451 L454 R463 N465	W301-Y413 HydrophobicContact CH2-CD1 4.1Å; W301-Y413 HydrophobicContact CH2-CG 4.43Å; M410-Y413 WeakPolarHBondContact O-CA 3.22Å; M410-Y413 VanDerWaalsContact O-CB 3.29Å; M410-Y413 WeakPolarHBondContact O-CB 3.33Å; M410-Y413 PolarHBondContact O-N 3.35Å; D411-Y413 PolarHBondContact O-N 2.63Å; Y413-S415 PolarHBondContact O-N 3.26Å; Y413-N416 WeakPolarHBondContact O-CB 3.36Å; Y413-N416 PolarHBondContact O-N 3.24Å; Y413-F450 HydrophobicContact CD2-CD1 4.02Å; Y413-F450 HydrophobicContact CG-CD1 4Å; Y413-F450 HydrophobicContact CG-CE1 4.44Å; Y413-Q451 HydrophobicContact CE2-CB 4.34Å; Y413-Q451 PolarHBondContact OH-OE1 3.29Å; Y413-L454 HydrophobicContact CD1-CD1 3.52Å; Y413-L454 HydrophobicContact CD2-CD1 3.8Å; Y413-L454 HydrophobicContact CE1-CD1 3.58Å; Y413-L454 HydrophobicContact CE2-CD1 3.85Å; Y413-L454 HydrophobicContact CG-CD1 3.64Å; Y413-R463 HydrophobicContact CE1-CB 4.24Å; Y413-R463 HydrophobicContact CE1-CG 4.04Å; Y413-N465 VanDerWaalsContact CE1-ND2 3.34Å; Y413-N465 WeakPolarHBondContact CE1-ND2 3.38Å; Y413-N465 WeakPolarHBondContact CE1-OD1 3.45Å
414	K	95.5	Very high	95.1	Very high	56 Å²	56	21.3 Å²	21.3	24%	0.243	11%	0.107	C	C	.	.	H	α-helix	trans	-51.6	-31	171.2	73.9	-175.4	-174.7	146	0	112.4	A406 E407 M410 D411 E412 N416 V417 Y418 M425	A406-K414 HydrophobicContact CB-CB 3.85Å; A406-K414 WeakPolarHBondContact O-CB 3.49Å; E407-K414 WeakPolarHBondContact OE1-CD 3.37Å; E407-K414 WeakPolarHBondContact OE1-CE 3.26Å; E407-K414 IonicContact OE1-NZ 3.77Å; E407-K414 PolarHBondContact OE1-NZ 3.33Å; E407-K414 IonicContact OE2-NZ 2.72Å; E407-K414 PolarHBondContact OE2-NZ 3.48Å; M410-K414 HydrophobicContact CB-CB 4.14Å; M410-K414 PolarHBondContact O-N 2.85Å; D411-K414 WeakPolarHBondContact O-CB 3.47Å; D411-K414 WeakPolarHBondContact O-CD 3.41Å; D411-K414 WeakPolarHBondContact O-CG 3.4Å; D411-K414 PolarHBondContact O-N 3.4Å; E412-K414 PolarHBondContact O-N 2.89Å; K414-N416 PolarHBondContact O-N 3.33Å; K414-V417 WeakPolarHBondContact O-CB 3.49Å; K414-V417 PolarHBondContact O-N 3.2Å; K414-Y418 WeakPolarHBondContact O-CD2 3.12Å; K414-Y418 PolarHBondContact O-N 2.67Å; K414-M425 HydrophobicContact CG-CE 4.31Å
415	S	94	Very high	94.7	Very high	22 Å²	22	22.9 Å²	22.9	15%	0.154	12%	0.116	C	C	.	.	H	α-helix	trans	-55.8	-29.6	175.1	58.5	0	0	0	0	114.4	E412 Y413 V417 Y418 L419	E412-S415 PolarHBondContact O-N 3.45Å; E412-S415 PolarHBondContact O-OG 3.06Å; Y413-S415 PolarHBondContact O-N 3.26Å; S415-V417 VanDerWaalsContact C-N 3.32Å; S415-V417 PolarHBondContact O-N 3.43Å; S415-Y418 PolarHBondContact O-N 3.09Å; S415-L419 WeakPolarHBondContact O-CB 3.28Å; S415-L419 PolarHBondContact O-N 3.19Å
416	N	94.2	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-71.4	-26.3	174.9	-64.5	-26.5	0	0	0	112.4	W301 Y413 K414 A420	W301-N416 HydrophobicContact CB-CB 4.46Å; W301-N416 HydrophobicContact CD2-CB 3.39Å; W301-N416 HydrophobicContact CE3-CB 3.43Å; W301-N416 VanDerWaalsContact CE3-CB 3.43Å; W301-N416 HydrophobicContact CG-CB 3.89Å; W301-N416 HydrophobicContact CH2-CB 4.12Å; W301-N416 WeakPolarHBondContact CH2-ND2 3.39Å; W301-N416 HydrophobicContact CZ2-CB 4.11Å; W301-N416 VanDerWaalsContact CZ2-ND2 3.26Å; W301-N416 WeakPolarHBondContact CZ2-ND2 3.05Å; W301-N416 HydrophobicContact CZ3-CB 3.8Å; Y413-N416 WeakPolarHBondContact O-CB 3.36Å; Y413-N416 PolarHBondContact O-N 3.24Å; K414-N416 PolarHBondContact O-N 3.33Å; N416-A420 WeakPolarHBondContact O-CB 3.47Å; N416-A420 PolarHBondContact O-N 2.86Å
417	V	94.9	Very high	93.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.9	-43.4	174.6	-177	0	0	0	0	110.7	W301 L303 A402 A406 M410 K414 S415 A420 W421	W301-V417 HydrophobicContact CE3-CG2 4.15Å; W301-V417 WeakPolarHBondContact O-CA 3.35Å; L303-V417 HydrophobicContact CD2-CG2 4.2Å; A402-V417 HydrophobicContact CB-CG1 4.25Å; A406-V417 HydrophobicContact CB-CB 4.05Å; A406-V417 HydrophobicContact CB-CG1 4.19Å; A406-V417 HydrophobicContact CB-CG2 3.95Å; M410-V417 HydrophobicContact SD-CG2 3.56Å; M410-V417 VanDerWaalsContact SD-CG2 3.56Å; K414-V417 WeakPolarHBondContact O-CB 3.49Å; K414-V417 PolarHBondContact O-N 3.2Å; S415-V417 VanDerWaalsContact C-N 3.32Å; S415-V417 PolarHBondContact O-N 3.43Å; V417-A420 PolarHBondContact O-N 2.87Å; V417-W421 PolarHBondContact O-N 3.45Å
418	Y	93.9	Very high	93.5	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-43.9	172.9	-78.9	-88.1	0	0	0	112.2	L403 E407 K414 S415 W421 N422 I423 P424 M425 H428	L403-Y418 HydrophobicContact CD1-CE1 4.47Å; L403-Y418 HydrophobicContact CD2-CD1 4.21Å; L403-Y418 HydrophobicContact CD2-CD2 4.2Å; L403-Y418 HydrophobicContact CD2-CE1 3.77Å; L403-Y418 HydrophobicContact CD2-CE2 3.76Å; L403-Y418 HydrophobicContact CD2-CG 4.41Å; E407-Y418 PolarHBondContact OE1-OH 3.19Å; K414-Y418 WeakPolarHBondContact O-CD2 3.12Å; K414-Y418 PolarHBondContact O-N 2.67Å; S415-Y418 PolarHBondContact O-N 3.09Å; Y418-W421 PolarHBondContact O-N 3.09Å; Y418-N422 PolarHBondContact O-N 2.9Å; Y418-I423 HydrophobicContact CD1-CD1 3.92Å; Y418-I423 HydrophobicContact CD1-CG1 3.92Å; Y418-I423 HydrophobicContact CE1-CD1 4.23Å; Y418-I423 PolarHBondContact O-N 2.9Å; Y418-I423 VanDerWaalsContact O-N 3.12Å; Y418-P424 VanDerWaalsContact CD1-O 3.3Å; Y418-P424 WeakPolarHBondContact CD1-O 3.21Å; Y418-M425 VanDerWaalsContact CB-SD 3.59Å; Y418-M425 HydrophobicContact CD1-SD 4.29Å; Y418-M425 HydrophobicContact CD2-CE 3.68Å; Y418-M425 HydrophobicContact CD2-SD 3.59Å; Y418-M425 VanDerWaalsContact CD2-SD 3.59Å; Y418-M425 HydrophobicContact CE2-CE 3.89Å; Y418-M425 HydrophobicContact CE2-SD 4.34Å; Y418-M425 HydrophobicContact CG-CE 4.21Å; Y418-M425 HydrophobicContact CG-SD 3.56Å; Y418-M425 VanDerWaalsContact CG-SD 3.56Å; Y418-H428 AromaticContact CE1-CD2 3.55Å; Y418-H428 AromaticContact CE1-NE2 3.64Å; Y418-H428 PolarHBondContact OH-NE2 3.46Å
419	L	92.3	Very high	93.2	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-56.2	-48.6	171.7	175	65	0	0	0	111.9	S415 N422 Y464 T467 Y470 R507 L519	S415-L419 WeakPolarHBondContact O-CB 3.28Å; S415-L419 PolarHBondContact O-N 3.19Å; L419-N422 PolarHBondContact O-N 3Å; L419-Y464 HydrophobicContact CD2-CD2 4.38Å; L419-Y464 HydrophobicContact CD2-CG 4.08Å; L419-T467 HydrophobicContact CD1-CG2 4.13Å; L419-Y470 HydrophobicContact CD1-CD1 3.93Å; L419-Y470 HydrophobicContact CD1-CD2 3.55Å; L419-Y470 HydrophobicContact CD1-CE2 4.34Å; L419-Y470 HydrophobicContact CD1-CG 3.3Å; L419-R507 HydrophobicContact CD1-CG 4.45Å; L419-L519 HydrophobicContact CD2-CD1 4.03Å; L419-L519 HydrophobicContact CD2-CD2 4.22Å; L419-L519 HydrophobicContact CG-CD1 3.94Å; L419-L519 HydrophobicContact CG-CD2 4.31Å
420	A	91.8	Very high	93	Very high	11 Å²	11	39.2 Å²	39.2	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-43.7	-179	0	0	0	0	0	112.9	W301 E302 N416 V417 N422 L519	W301-A420 HydrophobicContact CB-CB 3.74Å; E302-A420 HydrophobicContact CG-CB 3.86Å; N416-A420 WeakPolarHBondContact O-CB 3.47Å; N416-A420 PolarHBondContact O-N 2.86Å; V417-A420 PolarHBondContact O-N 2.87Å; A420-N422 PolarHBondContact O-N 2.83Å; A420-L519 HydrophobicContact CB-CD1 3.77Å
421	W	91.4	Very high	92.8	Very high	36 Å²	36	45.3 Å²	45.3	14%	0.136	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5.5	178.2	-75.1	105.5	0	0	0	114.4	E302 W304 T398 R399 V417 Y418 I423	E302-W421 HydrophobicContact CB-CZ2 4.04Å; E302-W421 WeakPolarHBondContact O-CZ2 3.47Å; E302-W421 PolarHBondContact O-NE1 3.12Å; W304-W421 AromaticContact CZ2-CH2 3.83Å; W304-W421 HydrophobicContact CZ2-CH2 3.83Å; W304-W421 HydrophobicContact CZ2-CZ2 4.38Å; T398-W421 HydrophobicContact CG2-CZ2 4.26Å; R399-W421 HydrophobicContact CB-CD2 3.89Å; R399-W421 HydrophobicContact CB-CE3 3.78Å; R399-W421 HydrophobicContact CB-CH2 3.88Å; R399-W421 HydrophobicContact CB-CZ2 4Å; R399-W421 HydrophobicContact CB-CZ3 3.78Å; R399-W421 HydrophobicContact CG-CB 4.32Å; R399-W421 HydrophobicContact CG-CD2 3.63Å; R399-W421 HydrophobicContact CG-CE3 3.73Å; R399-W421 HydrophobicContact CG-CG 3.92Å; R399-W421 HydrophobicContact CG-CZ3 4.26Å; V417-W421 PolarHBondContact O-N 3.45Å; Y418-W421 PolarHBondContact O-N 3.09Å; W421-I423 VanDerWaalsContact C-N 3.32Å; W421-I423 HydrophobicContact CB-CD1 4.02Å; W421-I423 HydrophobicContact CB-CG1 3.86Å; W421-I423 PolarHBondContact O-N 3Å
422	N	91.9	Very high	92.7	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.08	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	40.4	178.7	-170.6	19.6	0	0	0	114.1	Y418 L419 A420 G471 G500 L505 N598	Y418-N422 PolarHBondContact O-N 2.9Å; L419-N422 PolarHBondContact O-N 3Å; A420-N422 PolarHBondContact O-N 2.83Å; N422-G471 WeakPolarHBondContact OD1-CA 3.18Å; N422-G500 PolarHBondContact ND2-O 3.27Å; N422-L505 HydrophobicContact CB-CD2 3.64Å; N422-L505 VanDerWaalsContact CG-CD2 3.44Å; N422-L505 WeakPolarHBondContact ND2-CD2 3.28Å; N422-N598 PolarHBondContact OD1-ND2 3.29Å
423	I	92.4	Very high	92.7	Very high	14 Å²	14	41 Å²	41	7%	0.072	23%	0.234	C	C	.	.			trans	-126.3	142.7	-177.4	47.6	169.8	0	0	0	111.3	L403 Y418 W421 H428 I430 Y470	L403-I423 HydrophobicContact CD1-CD1 4.05Å; L403-I423 HydrophobicContact CD2-CD1 4.11Å; L403-I423 HydrophobicContact CG-CD1 4.48Å; Y418-I423 HydrophobicContact CD1-CD1 3.92Å; Y418-I423 HydrophobicContact CD1-CG1 3.92Å; Y418-I423 HydrophobicContact CE1-CD1 4.23Å; Y418-I423 PolarHBondContact O-N 2.9Å; Y418-I423 VanDerWaalsContact O-N 3.12Å; W421-I423 VanDerWaalsContact C-N 3.32Å; W421-I423 HydrophobicContact CB-CD1 4.02Å; W421-I423 HydrophobicContact CB-CG1 3.86Å; W421-I423 PolarHBondContact O-N 3Å; I423-H428 HydrophobicContact CB-CB 4.22Å; I423-I430 HydrophobicContact CD1-CD1 3.74Å; I423-I430 HydrophobicContact CG2-CD1 4.24Å; I423-Y470 PolarHBondContact O-OH 3.2Å
424	P	92.3	Very high	92.8	Very high	47 Å²	47	45.2 Å²	45.2	31%	0.305	26%	0.257	S	S	.	.			trans	-67.8	152.9	178.9	28.6	-34.5	0	0	0	111.9	Y418 E426 H428	Y418-P424 VanDerWaalsContact CD1-O 3.3Å; Y418-P424 WeakPolarHBondContact CD1-O 3.21Å; P424-E426 PolarHBondContact O-N 3.19Å; P424-E426 VanDerWaalsContact O-N 3.17Å; P424-H428 HydrophobicContact CG-CB 4.03Å; P424-H428 WeakPolarHBondContact O-CB 3.33Å; P424-H428 PolarHBondContact O-CD2 3.04Å
425	M	89.3	Confident	92.9	Very high	43 Å²	43	43.6 Å²	43.6	21%	0.212	25%	0.252	C	S	.	.	S	Bend	trans	-58.7	-26.2	178.2	-69.3	-59.1	-51.1	0	0	114.1	K414 Y418	K414-M425 HydrophobicContact CG-CE 4.31Å; Y418-M425 VanDerWaalsContact CB-SD 3.59Å; Y418-M425 HydrophobicContact CD1-SD 4.29Å; Y418-M425 HydrophobicContact CD2-CE 3.68Å; Y418-M425 HydrophobicContact CD2-SD 3.59Å; Y418-M425 VanDerWaalsContact CD2-SD 3.59Å; Y418-M425 HydrophobicContact CE2-CE 3.89Å; Y418-M425 HydrophobicContact CE2-SD 4.34Å; Y418-M425 HydrophobicContact CG-CE 4.21Å; Y418-M425 HydrophobicContact CG-SD 3.56Å; Y418-M425 VanDerWaalsContact CG-SD 3.56Å
426	E	88.6	Confident	93	Very high	102 Å²	102	46.1 Å²	46.1	48%	0.477	27%	0.27	S	S	.	.	S	Bend	trans	-135.2	152.9	-174.9	-73.5	167.5	-164.5	0	0	109.3	P424 H428 K601	P424-E426 PolarHBondContact O-N 3.19Å; P424-E426 VanDerWaalsContact O-N 3.17Å; E426-H428 PolarHBondContact O-N 2.93Å; E426-K601 WeakPolarHBondContact OE1-CE 3.45Å; E426-K601 IonicContact OE1-NZ 3.45Å; E426-K601 PolarHBondContact OE1-NZ 2.84Å; E426-K601 WeakPolarHBondContact OE2-CE 3.38Å; E426-K601 IonicContact OE2-NZ 2.64Å; E426-K601 PolarHBondContact OE2-NZ 3.19Å
427	N	89.1	Confident	93.2	Very high	162 Å²	162	53.2 Å²	53.2	87%	0.866	30%	0.303	S	S	*	.	S	Bend	trans	56.9	21.7	175.6	-54.7	-44.1	0	0	0	115.2	G429	N427-G429 PolarHBondContact O-N 2.96Å
428	H	90.9	Very high	93.3	Very high	40 Å²	40	54.2 Å²	54.2	19%	0.185	31%	0.307	C	S	.	.			trans	-71.4	-5.2	179.1	56.9	83.1	0	0	0	115	Y418 I423 P424 E426 I430	Y418-H428 AromaticContact CE1-CD2 3.55Å; Y418-H428 AromaticContact CE1-NE2 3.64Å; Y418-H428 PolarHBondContact OH-NE2 3.46Å; I423-H428 HydrophobicContact CB-CB 4.22Å; P424-H428 HydrophobicContact CG-CB 4.03Å; P424-H428 WeakPolarHBondContact O-CB 3.33Å; P424-H428 PolarHBondContact O-CD2 3.04Å; E426-H428 PolarHBondContact O-N 2.93Å; H428-I430 VanDerWaalsContact C-N 3.32Å; H428-I430 PolarHBondContact CE1-O 3.14Å; H428-I430 WeakPolarHBondContact ND1-CB 3.47Å; H428-I430 PolarHBondContact ND1-N 3.04Å; H428-I430 PolarHBondContact O-N 2.69Å
429	G	91.9	Very high	93.5	Very high	78 Å²	78	57.5 Å²	57.5	80%	0.804	33%	0.327	S	S	*	.			trans	66.7	23.4	172.5	0	0	0	0	0	115.9	N427	N427-G429 PolarHBondContact O-N 2.96Å
430	I	93.5	Very high	93.8	Very high	21 Å²	21	59.2 Å²	59.2	11%	0.108	34%	0.342	C	S	.	.			trans	-110.5	111.9	176.3	-56.2	161.7	0	0	0	108.3	R399 L403 I423 H428 F432	R399-I430 HydrophobicContact CG-CD1 4.21Å; L403-I430 HydrophobicContact CD1-CB 4.18Å; L403-I430 HydrophobicContact CD1-CD1 4.16Å; L403-I430 HydrophobicContact CD1-CG2 4.14Å; I423-I430 HydrophobicContact CD1-CD1 3.74Å; I423-I430 HydrophobicContact CG2-CD1 4.24Å; H428-I430 VanDerWaalsContact C-N 3.32Å; H428-I430 PolarHBondContact CE1-O 3.14Å; H428-I430 WeakPolarHBondContact ND1-CB 3.47Å; H428-I430 PolarHBondContact ND1-N 3.04Å; H428-I430 PolarHBondContact O-N 2.69Å; I430-F432 PolarHBondContact O-N 3.18Å
431	D	93.9	Very high	94.1	Very high	127 Å²	127	60.3 Å²	60.3	68%	0.679	35%	0.346	S	S	*	.			trans	-77.3	106.8	171.2	177.3	22.5	0	0	0	110.7	R400 G433	R400-D431 WeakPolarHBondContact CD-O 3.5Å; R400-D431 WeakPolarHBondContact CG-O 3.48Å; R400-D431 PolarHBondContact NE-O 2.65Å; D431-G433 WeakPolarHBondContact OD1-CA 3.31Å; D431-G433 PolarHBondContact OD1-N 2.77Å
432	F	94.7	Very high	94.5	Very high	44 Å²	44	60.4 Å²	60.4	19%	0.193	35%	0.347	C	S	.	.			trans	-92	3.3	173	60.5	-102	0	0	0	113.5	R400 L403 R404 E407 I430 V435	R400-F432 HydrophobicContact CG-CB 4.24Å; R400-F432 PolarHBondContact NH2-O 3.18Å; L403-F432 HydrophobicContact CB-CB 4.07Å; L403-F432 HydrophobicContact CB-CD1 3.98Å; L403-F432 HydrophobicContact CB-CG 4.15Å; L403-F432 HydrophobicContact CD1-CD1 4.18Å; R404-F432 VanDerWaalsContact CD-O 3.28Å; R404-F432 WeakPolarHBondContact CD-O 3.03Å; R404-F432 HydrophobicContact CG-CB 3.88Å; R404-F432 HydrophobicContact CG-CD2 4.36Å; R404-F432 VanDerWaalsContact CG-O 3.25Å; R404-F432 WeakPolarHBondContact CG-O 3.37Å; R404-F432 PolarHBondContact NH1-O 3.44Å; E407-F432 HydrophobicContact CB-CE2 4.44Å; E407-F432 HydrophobicContact CG-CE1 4.28Å; E407-F432 HydrophobicContact CG-CE2 4.12Å; E407-F432 HydrophobicContact CG-CZ 3.78Å; I430-F432 PolarHBondContact O-N 3.18Å; F432-V435 HydrophobicContact CD2-CG1 4.1Å; F432-V435 HydrophobicContact CE2-CG1 4.22Å; F432-V435 HydrophobicContact CE2-CG2 4.37Å
433	G	95.3	Very high	94.8	Very high	20 Å²	20	67.7 Å²	67.7	21%	0.206	38%	0.378	C	S	.	.			trans	68.5	174.6	177.8	0	0	0	0	0	114.6	R404 D431 V435	R404-G433 PolarHBondContact NH1-O 2.94Å; D431-G433 WeakPolarHBondContact OD1-CA 3.31Å; D431-G433 PolarHBondContact OD1-N 2.77Å; G433-V435 PolarHBondContact O-N 2.7Å
434	D	96.4	Very high	95	Very high	100 Å²	100	73.1 Å²	73.1	54%	0.535	41%	0.407	S	S	.	.			trans	-60.9	136.8	179.5	179.7	44.7	0	0	0	112.7	R404 S436	R404-D434 PolarHBondContact NH1-O 3.43Å; R404-D434 PolarHBondContact NH2-O 2.79Å; D434-S436 WeakPolarHBondContact OD1-CB 3.34Å; D434-S436 PolarHBondContact OD1-N 2.69Å; D434-S436 PolarHBondContact OD1-OG 2.98Å; D434-S436 PolarHBondContact OD2-N 3.27Å
435	V	97.7	Very high	95.3	Very high	21 Å²	21	73.5 Å²	73.5	13%	0.127	41%	0.406	C	S	.	.			trans	-120.5	0.3	176.1	-66.6	0	0	0	0	112.4	R404 V408 F432 G433 Q437 R438 V439	R404-V435 HydrophobicContact CB-CG1 4.27Å; R404-V435 HydrophobicContact CG-CG1 4.31Å; V408-V435 HydrophobicContact CG2-CB 3.67Å; V408-V435 HydrophobicContact CG2-CG1 4.01Å; V408-V435 HydrophobicContact CG2-CG2 4.31Å; F432-V435 HydrophobicContact CD2-CG1 4.1Å; F432-V435 HydrophobicContact CE2-CG1 4.22Å; F432-V435 HydrophobicContact CE2-CG2 4.37Å; G433-V435 PolarHBondContact O-N 2.7Å; V435-Q437 VanDerWaalsContact C-N 3.27Å; V435-Q437 PolarHBondContact O-N 3.25Å; V435-Q437 VanDerWaalsContact O-N 3.17Å; V435-R438 WeakPolarHBondContact O-CA 3.14Å; V435-R438 WeakPolarHBondContact O-CB 3.42Å; V435-R438 PolarHBondContact O-N 3.32Å; V435-V439 HydrophobicContact CG2-CG2 4.33Å; V435-V439 PolarHBondContact O-N 2.8Å
436	S	97.9	Very high	95.7	Very high	75 Å²	75	79.8 Å²	79.8	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-55.1	-39.3	-173.4	-58.6	0	0	0	0	113	D434 R438 V439 A440	D434-S436 WeakPolarHBondContact OD1-CB 3.34Å; D434-S436 PolarHBondContact OD1-N 2.69Å; D434-S436 PolarHBondContact OD1-OG 2.98Å; D434-S436 PolarHBondContact OD2-N 3.27Å; S436-R438 VanDerWaalsContact C-N 3.33Å; S436-R438 PolarHBondContact O-N 3.05Å; S436-V439 PolarHBondContact O-N 3.29Å; S436-A440 WeakPolarHBondContact O-CB 3.39Å; S436-A440 PolarHBondContact O-N 2.83Å
437	Q	97.2	Very high	96.2	Very high	149 Å²	149	76 Å²	76	70%	0.696	42%	0.419	S	S	*	.	H	α-helix	trans	-62.6	-37.5	175.2	-62.6	-173.7	2.2	0	0	112.8	V435 L441	V435-Q437 VanDerWaalsContact C-N 3.27Å; V435-Q437 PolarHBondContact O-N 3.25Å; V435-Q437 VanDerWaalsContact O-N 3.17Å; Q437-L441 VanDerWaalsContact O-CB 3.29Å; Q437-L441 WeakPolarHBondContact O-CB 3.48Å; Q437-L441 PolarHBondContact O-N 2.86Å
438	R	97.9	Very high	96.6	Very high	22 Å²	22	72.8 Å²	72.8	8%	0.083	40%	0.397	C	S	.	.	H	α-helix	trans	-76.2	-36.2	179.9	-61.5	-70.6	167.7	-166	-10.1	111.5	G345 L347 D348 V408 V435 S436 L441 R442	G345-R438 PolarHBondContact O-NH1 2.71Å; L347-R438 PolarHBondContact O-NH2 3.31Å; D348-R438 IonicContact OD1-CZ 3.25Å; D348-R438 IonicContact OD1-NE 2.87Å; D348-R438 PolarHBondContact OD1-NE 3.4Å; D348-R438 IonicContact OD1-NH2 3.86Å; V408-R438 HydrophobicContact CB-CB 4.47Å; V408-R438 HydrophobicContact CG1-CB 3.83Å; V408-R438 HydrophobicContact CG2-CB 3.77Å; V435-R438 WeakPolarHBondContact O-CA 3.14Å; V435-R438 WeakPolarHBondContact O-CB 3.42Å; V435-R438 PolarHBondContact O-N 3.32Å; S436-R438 VanDerWaalsContact C-N 3.33Å; S436-R438 PolarHBondContact O-N 3.05Å; R438-L441 PolarHBondContact O-N 3.33Å; R438-R442 PolarHBondContact O-N 2.98Å
439	V	98.1	Very high	97	Very high	71 Å²	71	73.5 Å²	73.5	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-43.9	170.7	178.3	0	0	0	0	111.1	V408 V435 S436 R442 K443	V408-V439 HydrophobicContact CG2-CG2 4.19Å; V435-V439 HydrophobicContact CG2-CG2 4.33Å; V435-V439 PolarHBondContact O-N 2.8Å; S436-V439 PolarHBondContact O-N 3.29Å; V439-R442 PolarHBondContact O-N 2.96Å; V439-K443 PolarHBondContact O-N 2.86Å; V439-K443 VanDerWaalsContact O-N 3.09Å
440	A	98.4	Very high	97.3	Very high	45 Å²	45	69.8 Å²	69.8	37%	0.372	37%	0.369	S	S	.	.	H	α-helix	trans	-62.4	-43.5	175.3	0	0	0	0	0	112	S436 K443 N444	S436-A440 WeakPolarHBondContact O-CB 3.39Å; S436-A440 PolarHBondContact O-N 2.83Å; A440-K443 PolarHBondContact O-N 2.99Å; A440-N444 WeakPolarHBondContact O-CB 3.47Å; A440-N444 PolarHBondContact O-N 3.12Å; A440-N444 PolarHBondContact O-OD1 2.79Å
441	L	98.2	Very high	97.5	Very high	34 Å²	34	71.3 Å²	71.3	18%	0.178	38%	0.375	C	S	.	.	H	α-helix	trans	-58	-47.9	174.1	176.6	64.9	0	0	0	112.1	L344 Q437 R438 K443 N444 L445	L344-L441 WeakPolarHBondContact O-CD2 3.19Å; Q437-L441 VanDerWaalsContact O-CB 3.29Å; Q437-L441 WeakPolarHBondContact O-CB 3.48Å; Q437-L441 PolarHBondContact O-N 2.86Å; R438-L441 PolarHBondContact O-N 3.33Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 3.31Å; L441-N444 PolarHBondContact O-N 3.13Å; L441-L445 HydrophobicContact CD1-CD1 3.74Å; L441-L445 HydrophobicContact CD1-CG 4.12Å; L441-L445 HydrophobicContact CG-CD1 4.07Å; L441-L445 WeakPolarHBondContact O-CB 3.32Å; L441-L445 WeakPolarHBondContact O-CG 3.41Å; L441-L445 PolarHBondContact O-N 3.16Å
442	R	98.3	Very high	97.7	Very high	38 Å²	38	68.8 Å²	68.8	14%	0.143	36%	0.356	C	S	.	.	H	α-helix	trans	-56.8	-41.5	175.5	-179.4	173.4	-177.3	-152.9	-6.8	112.4	V408 W409 D411 R438 V439 Q446 C447 K448	V408-R442 WeakPolarHBondContact O-CD 3.49Å; V408-R442 PolarHBondContact O-NH1 2.87Å; W409-R442 HydrophobicContact CE3-CB 4.35Å; W409-R442 HydrophobicContact CE3-CG 3.94Å; W409-R442 HydrophobicContact CH2-CB 3.7Å; W409-R442 HydrophobicContact CH2-CG 4.05Å; W409-R442 HydrophobicContact CZ2-CB 4.45Å; W409-R442 HydrophobicContact CZ3-CB 3.68Å; W409-R442 HydrophobicContact CZ3-CG 3.46Å; W409-R442 VanDerWaalsContact CZ3-CG 3.46Å; D411-R442 VanDerWaalsContact CG-NH2 3.32Å; D411-R442 IonicContact OD1-CZ 2.67Å; D411-R442 VanDerWaalsContact OD1-CZ 3.25Å; D411-R442 IonicContact OD1-NH1 3.14Å; D411-R442 PolarHBondContact OD1-NH1 2.84Å; D411-R442 IonicContact OD1-NH2 3.32Å; D411-R442 PolarHBondContact OD1-NH2 3.4Å; D411-R442 IonicContact OD2-CZ 2.65Å; D411-R442 IonicContact OD2-NH1 2.67Å; D411-R442 IonicContact OD2-NH2 2.7Å; D411-R442 PolarHBondContact OD2-NH2 3.23Å; R438-R442 PolarHBondContact O-N 2.98Å; V439-R442 PolarHBondContact O-N 2.96Å; R442-Q446 PolarHBondContact O-N 3.43Å; R442-C447 HydrophobicContact CG-CB 4.03Å; R442-C447 PolarHBondContact O-N 2.7Å; R442-C447 PolarHBondContact O-SG 2.95Å; R442-C447 VanDerWaalsContact O-SG 3.37Å; R442-K448 PolarHBondContact NH2-O 2.72Å
443	K	98	Very high	97.9	Very high	169 Å²	169	66.7 Å²	66.7	74%	0.735	35%	0.347	S	S	*	.	H	α-helix	trans	-67.7	-45.1	176.7	-174.3	-179.3	179.5	-178.4	0	112.1	V439 A440 L441 Q446	V439-K443 PolarHBondContact O-N 2.86Å; V439-K443 VanDerWaalsContact O-N 3.09Å; A440-K443 PolarHBondContact O-N 2.99Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 3.31Å; K443-Q446 PolarHBondContact O-N 3.08Å; K443-Q446 VanDerWaalsContact O-N 3.12Å
444	N	98.1	Very high	98	Very high	127 Å²	127	65.8 Å²	65.8	68%	0.679	34%	0.337	S	S	*	.	H	α-helix	trans	-66.1	-38.3	-177.8	-69.2	-8.1	0	0	0	112.3	A440 L441 Q446	A440-N444 WeakPolarHBondContact O-CB 3.47Å; A440-N444 PolarHBondContact O-N 3.12Å; A440-N444 PolarHBondContact O-OD1 2.79Å; L441-N444 PolarHBondContact O-N 3.13Å; N444-Q446 PolarHBondContact O-N 3.21Å
445	L	97.9	Very high	98	Very high	55 Å²	55	64.7 Å²	64.7	29%	0.288	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.5	174.7	-69.2	175.7	0	0	0	113.7	L344 C368 L441 C447	L344-L445 HydrophobicContact CD2-CD1 4.47Å; C368-L445 HydrophobicContact CB-CB 4.32Å; C368-L445 HydrophobicContact CB-CD1 4.37Å; L441-L445 HydrophobicContact CD1-CD1 3.74Å; L441-L445 HydrophobicContact CD1-CG 4.12Å; L441-L445 HydrophobicContact CG-CD1 4.07Å; L441-L445 WeakPolarHBondContact O-CB 3.32Å; L441-L445 WeakPolarHBondContact O-CG 3.41Å; L441-L445 PolarHBondContact O-N 3.16Å; L445-C447 WeakPolarHBondContact CB-SG 3.37Å; L445-C447 PolarHBondContact O-N 2.79Å; L445-C447 VanDerWaalsContact O-N 3.17Å
446	Q	98.1	Very high	98	Very high	176 Å²	176	67.2 Å²	67.2	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.8	179	-58	-173.8	-30.8	0	0	113.7	R442 K443 N444	R442-Q446 PolarHBondContact O-N 3.43Å; K443-Q446 PolarHBondContact O-N 3.08Å; K443-Q446 VanDerWaalsContact O-N 3.12Å; N444-Q446 PolarHBondContact O-N 3.21Å
447	C	98.5	Very high	97.9	Very high	21 Å²	21	64.2 Å²	64.2	14%	0.142	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-68.8	152.2	-172.4	-44.2	0	0	0	0	112.3	L367 C368 W409 R442 L445	L367-C447 HydrophobicContact CB-CB 4.03Å; L367-C447 CarbonylContact O-C 2.96Å; L367-C447 WeakPolarHBondContact O-CA 3.13Å; C368-C447 HydrophobicContact CB-CB 4.02Å; C368-C447 WeakPolarHBondContact CB-SG 3.27Å; C368-C447 WeakPolarHBondContact SG-CB 3.29Å; C368-C447 CovalentContact SG-SG 2.03Å; C368-C447 PolarHBondContact SG-SG 2.84Å; W409-C447 HydrophobicContact CZ3-CB 4.33Å; R442-C447 HydrophobicContact CG-CB 4.03Å; R442-C447 PolarHBondContact O-N 2.7Å; R442-C447 PolarHBondContact O-SG 2.95Å; R442-C447 VanDerWaalsContact O-SG 3.37Å; L445-C447 WeakPolarHBondContact CB-SG 3.37Å; L445-C447 PolarHBondContact O-N 2.79Å; L445-C447 VanDerWaalsContact O-N 3.17Å
448	K	98.6	Very high	97.8	Very high	95 Å²	95	57.1 Å²	57.1	41%	0.413	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-69.6	173	-176.9	-59.2	175.8	-166.7	-58.3	0	112.5	L367 R442 W452	L367-K448 HydrophobicContact CD2-CB 4.01Å; L367-K448 WeakPolarHBondContact O-CG 3.44Å; L367-K448 PolarHBondContact O-N 3.39Å; R442-K448 PolarHBondContact NH2-O 2.72Å; K448-W452 HydrophobicContact CB-CB 4.28Å; K448-W452 HydrophobicContact CB-CD2 4.27Å; K448-W452 HydrophobicContact CB-CE3 4.1Å; K448-W452 HydrophobicContact CB-CG 4.35Å; K448-W452 HydrophobicContact CD-CD2 3.36Å; K448-W452 HydrophobicContact CD-CE3 3.47Å; K448-W452 VanDerWaalsContact CD-CE3 3.47Å; K448-W452 HydrophobicContact CD-CG 3.91Å; K448-W452 HydrophobicContact CD-CH2 3.97Å; K448-W452 HydrophobicContact CD-CZ2 3.88Å; K448-W452 HydrophobicContact CD-CZ3 3.78Å; K448-W452 HydrophobicContact CG-CD2 4.41Å; K448-W452 HydrophobicContact CG-CE3 4.41Å
449	S	98.4	Very high	97.6	Very high	55 Å²	55	59.5 Å²	59.5	39%	0.385	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-75.6	152.8	169.9	57.4	0	0	0	0	111.6	L367 D411 Q451 W452 Y453	L367-S449 WeakPolarHBondContact CD2-O 3.38Å; D411-S449 WeakPolarHBondContact OD2-CA 3.3Å; S449-Q451 PolarHBondContact O-N 2.82Å; S449-W452 WeakPolarHBondContact O-CB 3.47Å; S449-W452 PolarHBondContact O-N 2.65Å; S449-W452 PolarHBondContact OG-N 2.9Å; S449-Y453 PolarHBondContact O-N 3.11Å
450	F	98.4	Very high	97.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-29.3	175	-163.8	-109.7	0	0	0	112.2	W301 I363 W409 M410 D411 Y413 W452 Y453 L454	W301-F450 AromaticContact CH2-CE1 3.92Å; W301-F450 HydrophobicContact CH2-CE1 3.92Å; W301-F450 AromaticContact CZ3-CE1 3.99Å; W301-F450 HydrophobicContact CZ3-CE1 3.99Å; I363-F450 HydrophobicContact CD1-CE2 4.01Å; I363-F450 HydrophobicContact CG1-CE2 4.1Å; I363-F450 HydrophobicContact CG2-CD2 3.92Å; I363-F450 HydrophobicContact CG2-CE2 3.8Å; W409-F450 WeakPolarHBondContact O-CB 3.28Å; W409-F450 VanDerWaalsContact O-CD2 3.28Å; W409-F450 WeakPolarHBondContact O-CD2 3.38Å; M410-F450 HydrophobicContact CB-CD1 4.19Å; M410-F450 HydrophobicContact CB-CE1 4.32Å; M410-F450 HydrophobicContact CB-CG 4.28Å; M410-F450 HydrophobicContact CE-CE2 4.17Å; M410-F450 HydrophobicContact CE-CZ 3.94Å; M410-F450 HydrophobicContact CG-CD1 4.39Å; M410-F450 HydrophobicContact CG-CD2 4.17Å; M410-F450 HydrophobicContact CG-CE1 4.15Å; M410-F450 HydrophobicContact CG-CE2 3.96Å; M410-F450 HydrophobicContact CG-CG 4.38Å; M410-F450 HydrophobicContact CG-CZ 3.94Å; M410-F450 HydrophobicContact SD-CZ 4.26Å; D411-F450 HydrophobicContact CB-CB 4.38Å; D411-F450 PolarHBondContact OD2-N 2.94Å; Y413-F450 HydrophobicContact CD2-CD1 4.02Å; Y413-F450 HydrophobicContact CG-CD1 4Å; Y413-F450 HydrophobicContact CG-CE1 4.44Å; F450-W452 VanDerWaalsContact C-N 3.31Å; F450-W452 PolarHBondContact O-N 2.58Å; F450-Y453 HydrophobicContact CD2-CD1 4.3Å; F450-Y453 HydrophobicContact CD2-CG 4.45Å; F450-Y453 AromaticContact CE2-CD1 3.8Å; F450-Y453 HydrophobicContact CE2-CD1 3.8Å; F450-Y453 HydrophobicContact CE2-CE1 4.23Å; F450-Y453 HydrophobicContact CE2-CG 4.32Å; F450-Y453 HydrophobicContact CZ-CD1 4.21Å; F450-Y453 WeakPolarHBondContact O-CB 3.29Å; F450-Y453 PolarHBondContact O-N 2.88Å; F450-Y453 VanDerWaalsContact O-N 3.09Å; F450-L454 HydrophobicContact CD1-CD1 3.71Å; F450-L454 HydrophobicContact CD1-CD2 4.46Å; F450-L454 HydrophobicContact CD1-CG 3.86Å; F450-L454 HydrophobicContact CE1-CD1 3.69Å; F450-L454 HydrophobicContact CE1-CD2 3.78Å; F450-L454 HydrophobicContact CE1-CG 3.68Å; F450-L454 HydrophobicContact CZ-CD2 4.11Å; F450-L454 HydrophobicContact CZ-CG 4.32Å; F450-L454 WeakPolarHBondContact O-CG 3.27Å; F450-L454 PolarHBondContact O-N 3.08Å
451	Q	98	Very high	96.9	Very high	54 Å²	54	58.9 Å²	58.9	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-50.4	-49.5	167	-177.4	59.9	76	0	0	111.6	Y413 S449 Y453 L454 D455	Y413-Q451 HydrophobicContact CE2-CB 4.34Å; Y413-Q451 PolarHBondContact OH-OE1 3.29Å; S449-Q451 PolarHBondContact O-N 2.82Å; Q451-Y453 VanDerWaalsContact C-N 3.32Å; Q451-Y453 PolarHBondContact O-N 2.9Å; Q451-L454 PolarHBondContact O-N 3.26Å; Q451-D455 PolarHBondContact NE2-OD1 2.82Å; Q451-D455 VanDerWaalsContact NE2-OD1 3.08Å; Q451-D455 PolarHBondContact NE2-OD2 3.27Å; Q451-D455 VanDerWaalsContact O-CG 3.27Å; Q451-D455 PolarHBondContact O-N 3.18Å; Q451-D455 VanDerWaalsContact O-OD2 3.08Å
452	W	98.4	Very high	96.6	Very high	74 Å²	74	61.1 Å²	61.1	28%	0.28	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-39.9	177.5	176.9	89.7	0	0	0	112	W366 L367 K448 S449 F450 D455 N456 V457	W366-W452 WeakPolarHBondContact O-CZ3 3.44Å; L367-W452 HydrophobicContact CD2-CE3 4.33Å; K448-W452 HydrophobicContact CB-CB 4.28Å; K448-W452 HydrophobicContact CB-CD2 4.27Å; K448-W452 HydrophobicContact CB-CE3 4.1Å; K448-W452 HydrophobicContact CB-CG 4.35Å; K448-W452 HydrophobicContact CD-CD2 3.36Å; K448-W452 HydrophobicContact CD-CE3 3.47Å; K448-W452 VanDerWaalsContact CD-CE3 3.47Å; K448-W452 HydrophobicContact CD-CG 3.91Å; K448-W452 HydrophobicContact CD-CH2 3.97Å; K448-W452 HydrophobicContact CD-CZ2 3.88Å; K448-W452 HydrophobicContact CD-CZ3 3.78Å; K448-W452 HydrophobicContact CG-CD2 4.41Å; K448-W452 HydrophobicContact CG-CE3 4.41Å; S449-W452 WeakPolarHBondContact O-CB 3.47Å; S449-W452 PolarHBondContact O-N 2.65Å; S449-W452 PolarHBondContact OG-N 2.9Å; F450-W452 VanDerWaalsContact C-N 3.31Å; F450-W452 PolarHBondContact O-N 2.58Å; W452-D455 PolarHBondContact O-N 3.39Å; W452-N456 HydrophobicContact CD2-CB 4.13Å; W452-N456 HydrophobicContact CH2-CB 4.42Å; W452-N456 HydrophobicContact CZ2-CB 3.88Å; W452-N456 VanDerWaalsContact NE1-CG 3.31Å; W452-N456 PolarHBondContact NE1-ND2 3.2Å; W452-N456 PolarHBondContact NE1-OD1 3.33Å; W452-N456 VanDerWaalsContact O-CB 3.23Å; W452-N456 WeakPolarHBondContact O-CB 3.46Å; W452-N456 PolarHBondContact O-N 2.76Å; W452-N456 PolarHBondContact O-ND2 3.38Å; W452-V457 HydrophobicContact CE3-CG2 4.39Å; W452-V457 HydrophobicContact CH2-CG2 4.09Å; W452-V457 HydrophobicContact CZ3-CG2 3.73Å
453	Y	98.3	Very high	96.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-47.4	175.8	176.5	-82.3	0	0	0	111.5	Y299 P327 I363 W366 S449 F450 Q451 D455 N456 V457 Y458	Y299-Y453 HydrophobicContact CE1-CE1 4.44Å; Y299-Y453 WeakPolarHBondContact CE1-OH 3.33Å; Y299-Y453 WeakPolarHBondContact OH-CE1 3.34Å; P327-Y453 VanDerWaalsContact C-OH 3.24Å; P327-Y453 VanDerWaalsContact CB-OH 3.29Å; P327-Y453 WeakPolarHBondContact CB-OH 3.27Å; P327-Y453 PolarHBondContact O-OH 3.24Å; I363-Y453 HydrophobicContact CB-CE2 4.48Å; I363-Y453 HydrophobicContact CG1-CE1 4.45Å; I363-Y453 HydrophobicContact CG1-CE2 4.3Å; W366-Y453 HydrophobicContact CB-CD2 3.71Å; W366-Y453 HydrophobicContact CB-CE2 3.82Å; W366-Y453 AromaticContact CD1-CE2 3.92Å; W366-Y453 HydrophobicContact CG-CD2 4.39Å; W366-Y453 HydrophobicContact CG-CE2 4.11Å; S449-Y453 PolarHBondContact O-N 3.11Å; F450-Y453 HydrophobicContact CD2-CD1 4.3Å; F450-Y453 HydrophobicContact CD2-CG 4.45Å; F450-Y453 AromaticContact CE2-CD1 3.8Å; F450-Y453 HydrophobicContact CE2-CD1 3.8Å; F450-Y453 HydrophobicContact CE2-CE1 4.23Å; F450-Y453 HydrophobicContact CE2-CG 4.32Å; F450-Y453 HydrophobicContact CZ-CD1 4.21Å; F450-Y453 WeakPolarHBondContact O-CB 3.29Å; F450-Y453 PolarHBondContact O-N 2.88Å; F450-Y453 VanDerWaalsContact O-N 3.09Å; Q451-Y453 VanDerWaalsContact C-N 3.32Å; Q451-Y453 PolarHBondContact O-N 2.9Å; Y453-D455 VanDerWaalsContact C-N 3.26Å; Y453-D455 PolarHBondContact O-N 3.05Å; Y453-N456 PolarHBondContact O-N 2.63Å; Y453-V457 HydrophobicContact CD1-CB 4.5Å; Y453-V457 HydrophobicContact CD2-CB 3.83Å; Y453-V457 HydrophobicContact CD2-CG1 4.01Å; Y453-V457 HydrophobicContact CD2-CG2 3.81Å; Y453-V457 HydrophobicContact CE2-CB 3.97Å; Y453-V457 HydrophobicContact CE2-CG1 3.65Å; Y453-V457 HydrophobicContact CE2-CG2 4.31Å; Y453-V457 HydrophobicContact CG-CB 4.1Å; Y453-V457 HydrophobicContact CG-CG2 4.22Å; Y453-V457 WeakPolarHBondContact O-CA 3.28Å; Y453-V457 WeakPolarHBondContact O-CB 3.19Å; Y453-V457 PolarHBondContact O-N 3.35Å; Y453-Y458 HydrophobicContact CE1-CD1 4.33Å; Y453-Y458 PolarHBondContact O-N 3.35Å
454	L	97.1	Very high	96	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-28.2	177.5	-68	176.2	0	0	0	113	W301 Y413 F450 Q451 Y458 P459 M461 R463	W301-L454 HydrophobicContact CH2-CD1 4.27Å; W301-L454 HydrophobicContact CH2-CD2 4.37Å; Y413-L454 HydrophobicContact CD1-CD1 3.52Å; Y413-L454 HydrophobicContact CD2-CD1 3.8Å; Y413-L454 HydrophobicContact CE1-CD1 3.58Å; Y413-L454 HydrophobicContact CE2-CD1 3.85Å; Y413-L454 HydrophobicContact CG-CD1 3.64Å; F450-L454 HydrophobicContact CD1-CD1 3.71Å; F450-L454 HydrophobicContact CD1-CD2 4.46Å; F450-L454 HydrophobicContact CD1-CG 3.86Å; F450-L454 HydrophobicContact CE1-CD1 3.69Å; F450-L454 HydrophobicContact CE1-CD2 3.78Å; F450-L454 HydrophobicContact CE1-CG 3.68Å; F450-L454 HydrophobicContact CZ-CD2 4.11Å; F450-L454 HydrophobicContact CZ-CG 4.32Å; F450-L454 WeakPolarHBondContact O-CG 3.27Å; F450-L454 PolarHBondContact O-N 3.08Å; Q451-L454 PolarHBondContact O-N 3.26Å; L454-Y458 CarbonylContact O-C 3.57Å; L454-P459 WeakPolarHBondContact O-CA 3.37Å; L454-M461 HydrophobicContact CD2-CB 4.19Å; L454-M461 HydrophobicContact CD2-CG 4.49Å; L454-M461 HydrophobicContact CD2-SD 3.83Å; L454-R463 PolarHBondContact O-NH2 2.91Å
455	D	96.9	Very high	95.6	Very high	78 Å²	78	52.7 Å²	52.7	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-88.4	-30.3	178.3	-61.8	-33.4	0	0	0	113.5	Q451 W452 Y453 R463	Q451-D455 PolarHBondContact NE2-OD1 2.82Å; Q451-D455 VanDerWaalsContact NE2-OD1 3.08Å; Q451-D455 PolarHBondContact NE2-OD2 3.27Å; Q451-D455 VanDerWaalsContact O-CG 3.27Å; Q451-D455 PolarHBondContact O-N 3.18Å; Q451-D455 VanDerWaalsContact O-OD2 3.08Å; W452-D455 PolarHBondContact O-N 3.39Å; Y453-D455 VanDerWaalsContact C-N 3.26Å; Y453-D455 PolarHBondContact O-N 3.05Å; D455-R463 IonicContact OD1-CZ 3.63Å; D455-R463 VanDerWaalsContact OD1-CZ 3.25Å; D455-R463 IonicContact OD1-NH1 3.6Å; D455-R463 PolarHBondContact OD1-NH1 2.76Å; D455-R463 IonicContact OD1-NH2 2.69Å; D455-R463 PolarHBondContact OD1-NH2 3.38Å
456	N	96.3	Very high	95.3	Very high	74 Å²	74	52 Å²	52	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-114.2	-14.4	-168.8	-65.4	-107.8	0	0	0	113.9	R325 W452 Y453	R325-N456 PolarHBondContact NH1-O 2.96Å; R325-N456 PolarHBondContact NH2-O 2.93Å; W452-N456 HydrophobicContact CD2-CB 4.13Å; W452-N456 HydrophobicContact CH2-CB 4.42Å; W452-N456 HydrophobicContact CZ2-CB 3.88Å; W452-N456 VanDerWaalsContact NE1-CG 3.31Å; W452-N456 PolarHBondContact NE1-ND2 3.2Å; W452-N456 PolarHBondContact NE1-OD1 3.33Å; W452-N456 VanDerWaalsContact O-CB 3.23Å; W452-N456 WeakPolarHBondContact O-CB 3.46Å; W452-N456 PolarHBondContact O-N 2.76Å; W452-N456 PolarHBondContact O-ND2 3.38Å; Y453-N456 PolarHBondContact O-N 2.63Å
457	V	96.4	Very high	95.1	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-44.7	-173.3	-171	0	0	0	0	111.7	P327 W366 W452 Y453	P327-V457 HydrophobicContact CB-CG1 4.3Å; W366-V457 HydrophobicContact CB-CG1 4.33Å; W366-V457 HydrophobicContact CB-CG2 4.01Å; W366-V457 HydrophobicContact CD2-CG1 3.75Å; W366-V457 HydrophobicContact CD2-CG2 4.01Å; W366-V457 HydrophobicContact CE3-CG1 4.49Å; W366-V457 HydrophobicContact CE3-CG2 4.1Å; W366-V457 HydrophobicContact CG-CB 4.49Å; W366-V457 HydrophobicContact CG-CG1 3.64Å; W366-V457 HydrophobicContact CG-CG2 4Å; W452-V457 HydrophobicContact CE3-CG2 4.39Å; W452-V457 HydrophobicContact CH2-CG2 4.09Å; W452-V457 HydrophobicContact CZ3-CG2 3.73Å; Y453-V457 HydrophobicContact CD1-CB 4.5Å; Y453-V457 HydrophobicContact CD2-CB 3.83Å; Y453-V457 HydrophobicContact CD2-CG1 4.01Å; Y453-V457 HydrophobicContact CD2-CG2 3.81Å; Y453-V457 HydrophobicContact CE2-CB 3.97Å; Y453-V457 HydrophobicContact CE2-CG1 3.65Å; Y453-V457 HydrophobicContact CE2-CG2 4.31Å; Y453-V457 HydrophobicContact CG-CB 4.1Å; Y453-V457 HydrophobicContact CG-CG2 4.22Å; Y453-V457 WeakPolarHBondContact O-CA 3.28Å; Y453-V457 WeakPolarHBondContact O-CB 3.19Å; Y453-V457 PolarHBondContact O-N 3.35Å
458	Y	95.6	Very high	94.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.			trans	-134.1	58	-177	-159.4	-174.2	0	0	0	113.2	G298 Y299 I308 P327 Y453 L454 E460 M461 T522	G298-Y458 WeakPolarHBondContact CA-OH 3.45Å; Y299-Y458 HydrophobicContact CD1-CD1 4.39Å; Y299-Y458 AromaticContact CD1-CE1 3.94Å; Y299-Y458 HydrophobicContact CD1-CE1 3.94Å; Y299-Y458 AromaticContact CE1-CD1 3.93Å; Y299-Y458 HydrophobicContact CE1-CD1 3.93Å; Y299-Y458 AromaticContact CE1-CE1 3.94Å; Y299-Y458 HydrophobicContact CE1-CE1 3.94Å; Y299-Y458 HydrophobicContact CG-CE1 4.33Å; Y299-Y458 PolarHBondContact N-OH 2.83Å; Y299-Y458 VanDerWaalsContact N-OH 3.11Å; Y299-Y458 PolarHBondContact O-OH 3.38Å; Y299-Y458 VanDerWaalsContact O-OH 3.11Å; I308-Y458 HydrophobicContact CD1-CE2 4.05Å; P327-Y458 HydrophobicContact CB-CD1 3.87Å; P327-Y458 HydrophobicContact CB-CD2 4.37Å; P327-Y458 HydrophobicContact CB-CE1 4.48Å; P327-Y458 HydrophobicContact CB-CG 3.82Å; P327-Y458 HydrophobicContact CG-CD1 4.22Å; P327-Y458 HydrophobicContact CG-CD2 3.81Å; P327-Y458 HydrophobicContact CG-CE2 4.35Å; P327-Y458 HydrophobicContact CG-CG 3.74Å; Y453-Y458 HydrophobicContact CE1-CD1 4.33Å; Y453-Y458 PolarHBondContact O-N 3.35Å; L454-Y458 CarbonylContact O-C 3.57Å; Y458-E460 HydrophobicContact CD2-CB 4.4Å; Y458-E460 HydrophobicContact CE2-CB 4.34Å; Y458-E460 PolarHBondContact O-N 2.95Å; Y458-M461 HydrophobicContact CD1-CB 3.86Å; Y458-M461 HydrophobicContact CD1-CG 4.2Å; Y458-M461 HydrophobicContact CD1-SD 3.9Å; Y458-M461 HydrophobicContact CD2-CB 4.12Å; Y458-M461 HydrophobicContact CE1-CB 4.02Å; Y458-M461 HydrophobicContact CE1-CG 4.05Å; Y458-M461 HydrophobicContact CE1-SD 3.95Å; Y458-M461 HydrophobicContact CE2-CB 4.27Å; Y458-M461 HydrophobicContact CG-CB 3.91Å; Y458-M461 WeakPolarHBondContact O-CB 3.14Å; Y458-M461 PolarHBondContact O-N 2.72Å; Y458-M461 VanDerWaalsContact O-N 3.13Å; Y458-T522 HydrophobicContact CE2-CG2 3.69Å; Y458-T522 WeakPolarHBondContact OH-CG2 3.29Å
459	P	93.4	Very high	94.8	Very high	73 Å²	73	40.6 Å²	40.6	47%	0.474	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.4	-178.3	28.5	-35.9	0	0	0	114.4	L454 M461	L454-P459 WeakPolarHBondContact O-CA 3.37Å; P459-M461 VanDerWaalsContact C-N 3.26Å; P459-M461 PolarHBondContact O-N 2.63Å
460	E	90.6	Very high	94.6	Very high	99 Å²	99	38 Å²	38	46%	0.463	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.6	176	-55.6	77.6	-170.4	0	0	113.3	Y458 R462 T522	Y458-E460 HydrophobicContact CD2-CB 4.4Å; Y458-E460 HydrophobicContact CE2-CB 4.34Å; Y458-E460 PolarHBondContact O-N 2.95Å; E460-R462 PolarHBondContact O-N 3.34Å; E460-T522 HydrophobicContact CB-CG2 3.87Å
461	M	92.3	Very high	94.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	19%	0.185	C	C	.	.	S	Bend	trans	-76.2	108.8	-178	-163.1	-176.3	-165.1	0	0	111.4	Y299 W301 L454 Y458 P459	Y299-M461 HydrophobicContact CD2-CE 3.6Å; Y299-M461 HydrophobicContact CD2-SD 4.49Å; Y299-M461 HydrophobicContact CE2-CE 3.45Å; Y299-M461 VanDerWaalsContact CE2-CE 3.45Å; Y299-M461 HydrophobicContact CE2-SD 3.91Å; W301-M461 HydrophobicContact CD2-CE 3.51Å; W301-M461 HydrophobicContact CD2-SD 4.47Å; W301-M461 HydrophobicContact CE3-CE 3.83Å; W301-M461 HydrophobicContact CG-CE 3.94Å; W301-M461 HydrophobicContact CH2-CE 4.26Å; W301-M461 HydrophobicContact CH2-SD 4.06Å; W301-M461 HydrophobicContact CZ2-CE 3.96Å; W301-M461 HydrophobicContact CZ2-CG 4.13Å; W301-M461 HydrophobicContact CZ2-SD 3.82Å; W301-M461 HydrophobicContact CZ3-CE 4.19Å; W301-M461 HydrophobicContact CZ3-SD 4.46Å; L454-M461 HydrophobicContact CD2-CB 4.19Å; L454-M461 HydrophobicContact CD2-CG 4.49Å; L454-M461 HydrophobicContact CD2-SD 3.83Å; Y458-M461 HydrophobicContact CD1-CB 3.86Å; Y458-M461 HydrophobicContact CD1-CG 4.2Å; Y458-M461 HydrophobicContact CD1-SD 3.9Å; Y458-M461 HydrophobicContact CD2-CB 4.12Å; Y458-M461 HydrophobicContact CE1-CB 4.02Å; Y458-M461 HydrophobicContact CE1-CG 4.05Å; Y458-M461 HydrophobicContact CE1-SD 3.95Å; Y458-M461 HydrophobicContact CE2-CB 4.27Å; Y458-M461 HydrophobicContact CG-CB 3.91Å; Y458-M461 WeakPolarHBondContact O-CB 3.14Å; Y458-M461 PolarHBondContact O-N 2.72Å; Y458-M461 VanDerWaalsContact O-N 3.13Å; P459-M461 VanDerWaalsContact C-N 3.26Å; P459-M461 PolarHBondContact O-N 2.63Å
462	R	90.6	Very high	94.3	Very high	81 Å²	81	36 Å²	36	31%	0.306	18%	0.175	S	C	.	.			trans	-58.5	136.1	-179.6	-173.6	171.5	-64.1	126.3	13	112	W301 E460 Y464 S521 G523 D525	W301-R462 PolarHBondContact NE1-O 3.01Å; E460-R462 PolarHBondContact O-N 3.34Å; R462-Y464 WeakPolarHBondContact CD-OH 3.23Å; R462-Y464 HydrophobicContact CG-CE1 4.12Å; R462-Y464 HydrophobicContact CG-CE2 4.41Å; R462-S521 VanDerWaalsContact CB-O 3.22Å; R462-S521 WeakPolarHBondContact CB-O 3.33Å; R462-S521 PolarHBondContact N-O 2.04Å; R462-G523 PolarHBondContact NH1-O 3.05Å; R462-G523 PolarHBondContact NH2-O 2.59Å; R462-D525 WeakPolarHBondContact CD-OD1 3.36Å; R462-D525 IonicContact CZ-OD1 3.8Å; R462-D525 IonicContact NE-OD1 3.21Å; R462-D525 VanDerWaalsContact NH1-CB 3.34Å; R462-D525 IonicContact NH1-OD1 2.83Å; R462-D525 PolarHBondContact NH1-OD1 2.93Å
463	R	91.4	Very high	94.3	Very high	85 Å²	85	32.5 Å²	32.5	32%	0.321	16%	0.162	S	C	.	.			trans	-107.5	136.4	-176.5	-54.6	174.6	-164.4	-177.6	2.3	109.9	Y413 L454 D455	Y413-R463 HydrophobicContact CE1-CB 4.24Å; Y413-R463 HydrophobicContact CE1-CG 4.04Å; L454-R463 PolarHBondContact O-NH2 2.91Å; D455-R463 IonicContact OD1-CZ 3.63Å; D455-R463 VanDerWaalsContact OD1-CZ 3.25Å; D455-R463 IonicContact OD1-NH1 3.6Å; D455-R463 PolarHBondContact OD1-NH1 2.76Å; D455-R463 IonicContact OD1-NH2 2.69Å; D455-R463 PolarHBondContact OD1-NH2 3.38Å
464	Y	91.8	Very high	94.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	18%	0.179	C	C	.	.			trans	-111.1	22.9	-172.6	-66.4	-70.9	0	0	0	114.8	W301 L419 R462 N466 T467 L519 G520 D525	W301-Y464 AromaticContact CD1-CD2 3.93Å; W301-Y464 AromaticContact CD1-CE2 3.78Å; W301-Y464 AromaticContact NE1-CD2 3.92Å; W301-Y464 AromaticContact NE1-CE2 3.96Å; L419-Y464 HydrophobicContact CD2-CD2 4.38Å; L419-Y464 HydrophobicContact CD2-CG 4.08Å; R462-Y464 WeakPolarHBondContact CD-OH 3.23Å; R462-Y464 HydrophobicContact CG-CE1 4.12Å; R462-Y464 HydrophobicContact CG-CE2 4.41Å; Y464-N466 PolarHBondContact O-N 3.06Å; Y464-T467 VanDerWaalsContact O-CB 3.31Å; Y464-T467 WeakPolarHBondContact O-CB 3.37Å; Y464-T467 PolarHBondContact O-N 3.25Å; Y464-T467 PolarHBondContact O-OG1 3.33Å; Y464-L519 HydrophobicContact CD2-CD1 4.05Å; Y464-L519 HydrophobicContact CD2-CD2 4.38Å; Y464-L519 HydrophobicContact CE1-CD2 4.3Å; Y464-L519 HydrophobicContact CE2-CB 3.91Å; Y464-L519 HydrophobicContact CE2-CD1 3.97Å; Y464-L519 HydrophobicContact CE2-CD2 4.12Å; Y464-L519 HydrophobicContact CE2-CG 4.23Å; Y464-G520 WeakPolarHBondContact CE2-O 3.34Å; Y464-G520 WeakPolarHBondContact OH-CA 3.06Å; Y464-G520 PolarHBondContact OH-N 3.34Å; Y464-G520 PolarHBondContact OH-O 2.61Å; Y464-D525 PolarHBondContact OH-OD1 3.38Å
465	N	89.4	Confident	94.3	Very high	71 Å²	71	37 Å²	37	38%	0.38	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-8.6	-175.6	-50.6	28.9	0	0	0	114.8	Y413 K510	Y413-N465 VanDerWaalsContact CE1-ND2 3.34Å; Y413-N465 WeakPolarHBondContact CE1-ND2 3.38Å; Y413-N465 WeakPolarHBondContact CE1-OD1 3.45Å; N465-K510 PolarHBondContact O-NZ 3.4Å; N465-K510 VanDerWaalsContact O-NZ 3.15Å
466	N	92.3	Very high	94.2	Very high	41 Å²	41	37 Å²	37	22%	0.219	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.5	172.8	74.8	-26.3	0	0	0	114.2	Y464 R507 T509 K510 E511	Y464-N466 PolarHBondContact O-N 3.06Å; N466-R507 PolarHBondContact OD1-NH1 2.79Å; N466-T509 CarbonylContact O-C 3.5Å; N466-T509 VanDerWaalsContact O-CA 3.25Å; N466-T509 WeakPolarHBondContact O-CA 2.99Å; N466-T509 WeakPolarHBondContact O-CB 3.24Å; N466-K510 WeakPolarHBondContact O-CG 3.3Å; N466-K510 PolarHBondContact O-N 2.91Å; N466-E511 PolarHBondContact ND2-OE2 3.43Å
467	T	94.1	Very high	94.1	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.2	-179.5	-54	0	0	0	0	111.6	L419 Y464 Y470 R507 M600	L419-T467 HydrophobicContact CD1-CG2 4.13Å; Y464-T467 VanDerWaalsContact O-CB 3.31Å; Y464-T467 WeakPolarHBondContact O-CB 3.37Å; Y464-T467 PolarHBondContact O-N 3.25Å; Y464-T467 PolarHBondContact O-OG1 3.33Å; T467-Y470 HydrophobicContact CG2-CD1 4.47Å; T467-R507 HydrophobicContact CG2-CG 3.55Å; T467-R507 WeakPolarHBondContact OG1-CD 3.49Å; T467-R507 PolarHBondContact OG1-NH1 3.02Å; T467-M600 HydrophobicContact CG2-CG 3.81Å; T467-M600 HydrophobicContact CG2-SD 4.42Å
468	V	95.3	Very high	94.1	Very high	20 Å²	20	39.1 Å²	39.1	12%	0.121	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-45.8	177.1	-176.9	0	0	0	0	110.7	Y508 K510 M600	V468-Y508 HydrophobicContact CB-CD1 4.35Å; V468-Y508 PolarHBondContact N-O 2.62Å; V468-K510 HydrophobicContact CG2-CB 4.31Å; V468-K510 HydrophobicContact CG2-CG 3.51Å; V468-M600 PolarHBondContact O-N 3.02Å
469	F	95.7	Very high	93.9	Very high	26 Å²	26	42.9 Å²	42.9	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.5	176.3	-46.7	-61.2	0	0	0	110.7	Y508 F556 Q558 I596 N598 T599	F469-Y508 AromaticContact CD2-CD1 3.57Å; F469-Y508 HydrophobicContact CD2-CD1 3.57Å; F469-Y508 HydrophobicContact CD2-CE1 4.28Å; F469-Y508 HydrophobicContact CD2-CG 4.3Å; F469-Y508 AromaticContact CE2-CD1 3.99Å; F469-Y508 HydrophobicContact CE2-CD1 3.99Å; F469-Y508 HydrophobicContact CE2-CE1 4.25Å; F469-Y508 PolarHBondContact N-O 2.93Å; F469-Y508 PolarHBondContact O-N 3.48Å; F469-F556 AromaticContact CD2-CD1 3.92Å; F469-F556 HydrophobicContact CD2-CD1 3.92Å; F469-F556 AromaticContact CD2-CE1 3.61Å; F469-F556 HydrophobicContact CD2-CE1 3.61Å; F469-F556 HydrophobicContact CE2-CD1 4.02Å; F469-F556 AromaticContact CE2-CE1 3.88Å; F469-F556 HydrophobicContact CE2-CE1 3.88Å; F469-Q558 HydrophobicContact CD1-CG 4.05Å; F469-Q558 VanDerWaalsContact CD1-NE2 3.27Å; F469-Q558 HydrophobicContact CE1-CG 3.59Å; F469-Q558 HydrophobicContact CE2-CG 4.18Å; F469-Q558 HydrophobicContact CZ-CG 3.67Å; F469-I596 HydrophobicContact CB-CB 3.75Å; F469-I596 HydrophobicContact CB-CD1 4.19Å; F469-I596 HydrophobicContact CB-CG1 4.49Å; F469-I596 HydrophobicContact CB-CG2 3.7Å; F469-N598 CarbonylContact C-O 3.56Å; F469-N598 VanDerWaalsContact CA-O 3.31Å; F469-N598 WeakPolarHBondContact CA-O 3.42Å; F469-T599 HydrophobicContact CD1-CG2 3.85Å; F469-T599 WeakPolarHBondContact CD1-OG1 3.39Å; F469-T599 HydrophobicContact CE1-CG2 3.79Å
470	Y	95.1	Very high	94	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.6	-178.2	64.9	-81.6	0	0	0	115	L419 I423 T467 G506 I596 N598 M600	L419-Y470 HydrophobicContact CD1-CD1 3.93Å; L419-Y470 HydrophobicContact CD1-CD2 3.55Å; L419-Y470 HydrophobicContact CD1-CE2 4.34Å; L419-Y470 HydrophobicContact CD1-CG 3.3Å; I423-Y470 PolarHBondContact O-OH 3.2Å; T467-Y470 HydrophobicContact CG2-CD1 4.47Å; Y470-G506 CarbonylContact C-O 3.55Å; Y470-G506 VanDerWaalsContact CA-O 3.23Å; Y470-G506 WeakPolarHBondContact CA-O 3.48Å; Y470-I596 WeakPolarHBondContact O-CG2 3.16Å; Y470-N598 HydrophobicContact CD1-CB 3.86Å; Y470-N598 HydrophobicContact CD2-CB 3.77Å; Y470-N598 HydrophobicContact CE1-CB 3.55Å; Y470-N598 HydrophobicContact CE2-CB 3.47Å; Y470-N598 VanDerWaalsContact CE2-CB 3.47Å; Y470-N598 WeakPolarHBondContact CE2-ND2 3.37Å; Y470-N598 HydrophobicContact CG-CB 3.96Å; Y470-N598 PolarHBondContact N-O 3.06Å; Y470-N598 WeakPolarHBondContact O-CB 3.4Å; Y470-N598 PolarHBondContact O-N 3.35Å; Y470-M600 HydrophobicContact CD1-CG 3.87Å; Y470-M600 HydrophobicContact CD1-SD 3.71Å; Y470-M600 HydrophobicContact CE1-CG 3.87Å; Y470-M600 HydrophobicContact CE1-SD 3.35Å; Y470-M600 WeakPolarHBondContact CE1-SD 3.41Å
471	G	94.8	Very high	94.3	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.4	-156.4	-177.3	0	0	0	0	0	111.9	N422 I473 G506	N422-G471 WeakPolarHBondContact OD1-CA 3.18Å; G471-I473 PolarHBondContact O-N 3.26Å; G471-G506 PolarHBondContact N-O 2.67Å; G471-G506 VanDerWaalsContact O-CA 3.29Å; G471-G506 WeakPolarHBondContact O-CA 3.13Å; G471-G506 PolarHBondContact O-N 3.23Å
472	E	95.6	Very high	94.5	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	127.8	-175.5	-67.5	156.7	-120.5	0	0	112.3	R474 I596 K597	E472-R474 HydrophobicContact CB-CG 4.46Å; E472-R474 IonicContact OE2-CZ 3.73Å; E472-R474 VanDerWaalsContact OE2-CZ 3.32Å; E472-R474 IonicContact OE2-NE 2.77Å; E472-R474 PolarHBondContact OE2-NE 2.9Å; E472-R474 VanDerWaalsContact OE2-NE 3.14Å; E472-R474 IonicContact OE2-NH2 3.26Å; E472-R474 PolarHBondContact OE2-NH2 2.81Å; E472-I596 WeakPolarHBondContact O-CA 3.41Å; E472-K597 HydrophobicContact CB-CB 4.21Å; E472-K597 HydrophobicContact CB-CD 4.28Å; E472-K597 HydrophobicContact CG-CD 4.32Å; E472-K597 PolarHBondContact O-N 3.44Å; E472-K597 WeakPolarHBondContact OE1-CD 3.49Å; E472-K597 WeakPolarHBondContact OE1-CE 3.37Å; E472-K597 IonicContact OE1-NZ 2.68Å; E472-K597 PolarHBondContact OE1-NZ 3.15Å
473	I	97.1	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.6	172.7	-50.7	166	0	0	0	107.8	G471 C482 M483 L514 L516 I562 W594 T595 I596	G471-I473 PolarHBondContact O-N 3.26Å; I473-C482 WeakPolarHBondContact O-CA 3.32Å; I473-M483 HydrophobicContact CB-CB 3.81Å; I473-M483 HydrophobicContact CB-CE 4.5Å; I473-M483 HydrophobicContact CD1-CB 4.25Å; I473-M483 HydrophobicContact CD1-SD 3.88Å; I473-M483 HydrophobicContact CG2-CB 4.23Å; I473-M483 HydrophobicContact CG2-CE 3.73Å; I473-M483 HydrophobicContact CG2-SD 4.36Å; I473-M483 PolarHBondContact O-N 3.06Å; I473-L514 HydrophobicContact CD1-CD1 3.88Å; I473-L514 HydrophobicContact CD1-CD2 4.4Å; I473-L514 HydrophobicContact CD1-CG 4.37Å; I473-L516 HydrophobicContact CD1-CD2 4.15Å; I473-L516 HydrophobicContact CD1-CG 4.29Å; I473-I562 HydrophobicContact CG2-CD1 4.36Å; I473-W594 HydrophobicContact CG2-CE3 3.7Å; I473-W594 HydrophobicContact CG2-CZ3 4.08Å; I473-T595 WeakPolarHBondContact CA-O 3.46Å; I473-I596 HydrophobicContact CB-CG1 4.48Å; I473-I596 HydrophobicContact CG1-CD1 4.25Å; I473-I596 HydrophobicContact CG1-CG1 4.09Å; I473-I596 HydrophobicContact CG2-CG1 4.21Å
474	R	97.3	Very high	95	Very high	93 Å²	93	32.5 Å²	32.5	35%	0.351	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147	-173.9	-66.2	-176.4	179.6	-153.2	9.2	112	E472 S479 C482 W594 T595	E472-R474 HydrophobicContact CB-CG 4.46Å; E472-R474 IonicContact OE2-CZ 3.73Å; E472-R474 VanDerWaalsContact OE2-CZ 3.32Å; E472-R474 IonicContact OE2-NE 2.77Å; E472-R474 PolarHBondContact OE2-NE 2.9Å; E472-R474 VanDerWaalsContact OE2-NE 3.14Å; E472-R474 IonicContact OE2-NH2 3.26Å; E472-R474 PolarHBondContact OE2-NH2 2.81Å; R474-S479 PolarHBondContact NH1-O 3.47Å; R474-C482 VanDerWaalsContact CG-SG 3.6Å; R474-W594 VanDerWaalsContact C-CE3 3.48Å; R474-W594 WeakPolarHBondContact O-CA 3.22Å; R474-W594 VanDerWaalsContact O-CE3 3.32Å; R474-T595 PolarHBondContact N-O 2.81Å; R474-T595 PolarHBondContact O-N 3.01Å
475	N	97.6	Very high	95	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.2	177.5	-173.9	-74.8	0	0	0	111.2	K477 V478 S479 V573 Q592 W594	N475-K477 VanDerWaalsContact C-N 3.28Å; N475-K477 PolarHBondContact O-N 3.3Å; N475-K477 WeakPolarHBondContact OD1-CB 3.39Å; N475-K477 PolarHBondContact OD1-N 3.02Å; N475-V478 HydrophobicContact CB-CG2 3.94Å; N475-V478 CarbonylContact O-C 3.39Å; N475-V478 PolarHBondContact O-N 3.36Å; N475-S479 PolarHBondContact O-N 3.37Å; N475-V573 HydrophobicContact CB-CG2 3.86Å; N475-Q592 PolarHBondContact ND2-OE1 2.68Å; N475-Q592 PolarHBondContact OD1-OE1 2.92Å; N475-W594 HydrophobicContact CB-CD2 4.15Å; N475-W594 HydrophobicContact CB-CE3 3.82Å; N475-W594 HydrophobicContact CB-CH2 3.78Å; N475-W594 HydrophobicContact CB-CZ2 4.11Å; N475-W594 HydrophobicContact CB-CZ3 3.64Å; N475-W594 VanDerWaalsContact ND2-CZ2 3.26Å; N475-W594 WeakPolarHBondContact ND2-CZ2 3.36Å
476	S	95.4	Very high	95	Very high	78 Å²	78	32.5 Å²	32.5	55%	0.545	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24	-178.1	68.3	0	0	0	0	114.9	K593	S476-K593 PolarHBondContact N-O 3.02Å; S476-K593 PolarHBondContact OG-O 3.48Å
477	K	94.7	Very high	94.7	Very high	124 Å²	124	36.5 Å²	36.5	54%	0.539	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-25.5	176.1	-65.3	-176.9	179.5	166.8	0	112.9	N475 S590 Q592	N475-K477 VanDerWaalsContact C-N 3.28Å; N475-K477 PolarHBondContact O-N 3.3Å; N475-K477 WeakPolarHBondContact OD1-CB 3.39Å; N475-K477 PolarHBondContact OD1-N 3.02Å; K477-S590 PolarHBondContact NZ-OG 3.27Å; K477-Q592 HydrophobicContact CD-CG 4.1Å
478	V	95.1	Very high	94.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	22%	0.222	C	C	.	.			trans	-138.5	58.3	-173.5	-67.9	0	0	0	0	111.8	N475 H480 L481 V573	N475-V478 HydrophobicContact CB-CG2 3.94Å; N475-V478 CarbonylContact O-C 3.39Å; N475-V478 PolarHBondContact O-N 3.36Å; V478-H480 PolarHBondContact O-N 2.81Å; V478-L481 HydrophobicContact CB-CB 4.33Å; V478-L481 HydrophobicContact CB-CD1 4.29Å; V478-L481 HydrophobicContact CB-CG 4.41Å; V478-L481 HydrophobicContact CG2-CB 4.2Å; V478-L481 HydrophobicContact CG2-CD1 4.48Å; V478-L481 PolarHBondContact O-N 3.2Å; V478-V573 HydrophobicContact CG1-CG1 4.13Å; V478-V573 HydrophobicContact CG2-CB 4.17Å; V478-V573 HydrophobicContact CG2-CG1 3.79Å; V478-V573 HydrophobicContact CG2-CG2 3.9Å
479	S	92.6	Very high	93.8	Very high	79 Å²	79	48.5 Å²	48.5	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-9.7	-172.3	57.9	0	0	0	0	116.9	R474 N475	R474-S479 PolarHBondContact NH1-O 3.47Å; N475-S479 PolarHBondContact O-N 3.37Å
480	H	94.4	Very high	93.4	Very high	115 Å²	115	52 Å²	52	53%	0.532	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-13.2	174	65	-86.7	0	0	0	113.8	V478 C498	V478-H480 PolarHBondContact O-N 2.81Å; H480-C498 PolarHBondContact O-N 3.17Å
481	L	96.8	Very high	93.2	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.8	174.3	-58.5	-179	0	0	0	110.6	V478 L495 H496 P497 F580 H582	V478-L481 HydrophobicContact CB-CB 4.33Å; V478-L481 HydrophobicContact CB-CD1 4.29Å; V478-L481 HydrophobicContact CB-CG 4.41Å; V478-L481 HydrophobicContact CG2-CB 4.2Å; V478-L481 HydrophobicContact CG2-CD1 4.48Å; V478-L481 PolarHBondContact O-N 3.2Å; L481-L495 HydrophobicContact CB-CB 4.31Å; L481-L495 HydrophobicContact CB-CD2 4.47Å; L481-L495 HydrophobicContact CD1-CB 4.2Å; L481-L495 HydrophobicContact CD1-CD1 4.22Å; L481-H496 CarbonylContact C-O 3.58Å; L481-H496 WeakPolarHBondContact CA-O 3.33Å; L481-P497 HydrophobicContact CD2-CG 4.41Å; L481-F580 HydrophobicContact CD1-CB 4.3Å; L481-F580 HydrophobicContact CD2-CB 4.15Å; L481-H582 HydrophobicContact CD1-CB 3.99Å
482	C	97.2	Very high	93.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150	177.7	-81.1	0	0	0	0	109.6	I473 R474 L495 H496 C498 Q504	I473-C482 WeakPolarHBondContact O-CA 3.32Å; R474-C482 VanDerWaalsContact CG-SG 3.6Å; C482-L495 WeakPolarHBondContact O-CA 3.46Å; C482-H496 PolarHBondContact N-O 2.98Å; C482-H496 PolarHBondContact O-N 2.93Å; C482-H496 VanDerWaalsContact O-N 3.1Å; C482-C498 VanDerWaalsContact CA-SG 3.6Å; C482-C498 HydrophobicContact CB-CB 4.03Å; C482-C498 WeakPolarHBondContact CB-SG 3.48Å; C482-C498 PolarHBondContact N-SG 2.66Å; C482-C498 VanDerWaalsContact SG-CA 3.57Å; C482-C498 WeakPolarHBondContact SG-CB 3.37Å; C482-C498 CovalentContact SG-SG 2.04Å; C482-C498 PolarHBondContact SG-SG 3.4Å; C482-Q504 HydrophobicContact CB-CG 4.36Å
483	M	96.8	Very high	93.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	134.2	170	-155.3	179.6	-69.4	0	0	109.8	I473 T494 L514 L516 L571 L584 W594	I473-M483 HydrophobicContact CB-CB 3.81Å; I473-M483 HydrophobicContact CB-CE 4.5Å; I473-M483 HydrophobicContact CD1-CB 4.25Å; I473-M483 HydrophobicContact CD1-SD 3.88Å; I473-M483 HydrophobicContact CG2-CB 4.23Å; I473-M483 HydrophobicContact CG2-CE 3.73Å; I473-M483 HydrophobicContact CG2-SD 4.36Å; I473-M483 PolarHBondContact O-N 3.06Å; M483-T494 WeakPolarHBondContact CA-O 3.37Å; M483-L514 HydrophobicContact SD-CD2 4.45Å; M483-L516 HydrophobicContact CG-CD1 3.86Å; M483-L516 HydrophobicContact SD-CD1 3.86Å; M483-L571 HydrophobicContact CE-CD1 4Å; M483-L584 HydrophobicContact CE-CD1 4.19Å; M483-L584 HydrophobicContact CE-CD2 4.19Å; M483-L584 HydrophobicContact CG-CD2 3.74Å; M483-L584 HydrophobicContact SD-CD2 4.1Å; M483-W594 HydrophobicContact CE-CE3 4.02Å; M483-W594 HydrophobicContact CE-CH2 3.6Å; M483-W594 HydrophobicContact CE-CZ2 4.17Å; M483-W594 HydrophobicContact CE-CZ3 3.5Å; M483-W594 VanDerWaalsContact CE-CZ3 3.5Å
484	D	95.1	Very high	93	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.032	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.2	-169	-158.6	-60.2	0	0	0	111	G486 A493 T494 H496 H499 P503 Q504	D484-G486 VanDerWaalsContact C-N 3.25Å; D484-G486 PolarHBondContact O-N 2.82Å; D484-G486 PolarHBondContact OD1-N 2.84Å; D484-A493 WeakPolarHBondContact O-CA 3.42Å; D484-T494 HydrophobicContact CB-CG2 4.33Å; D484-T494 PolarHBondContact N-O 2.76Å; D484-T494 PolarHBondContact O-N 2.8Å; D484-H496 HydrophobicContact CB-CB 4.05Å; D484-H496 WeakPolarHBondContact OD2-CB 3.44Å; D484-H496 IonicContact OD2-CG 3.74Å; D484-H499 IonicContact OD2-NE2 3.79Å; D484-P503 VanDerWaalsContact OD1-CB 3.23Å; D484-P503 WeakPolarHBondContact OD1-CB 3.29Å; D484-Q504 HydrophobicContact CB-CG 4.15Å; D484-Q504 WeakPolarHBondContact OD2-CG 3.28Å; D484-Q504 PolarHBondContact OD2-NE2 3Å
485	Q	92.8	Very high	92.9	Very high	47 Å²	47	55 Å²	55	22%	0.22	29%	0.288	C	S	.	.			trans	-64.4	-27.4	170.4	-73.4	-167.8	-45.9	0	0	113.4	P503 L516 G517 L540	Q485-P503 HydrophobicContact CB-CB 4.3Å; Q485-P503 PolarHBondContact N-O 3.4Å; Q485-L516 HydrophobicContact CG-CB 3.9Å; Q485-L516 PolarHBondContact NE2-O 2.83Å; Q485-G517 VanDerWaalsContact CD-CA 3.43Å; Q485-G517 VanDerWaalsContact NE2-CA 3.32Å; Q485-L540 HydrophobicContact CB-CD1 4.3Å; Q485-L540 HydrophobicContact CG-CD1 4.32Å
486	G	89.3	Confident	92.9	Very high	26 Å²	26	57.8 Å²	57.8	27%	0.268	30%	0.301	S	S	.	.			trans	60.1	-150.1	-174.2	0	0	0	0	0	113	D484	D484-G486 VanDerWaalsContact C-N 3.25Å; D484-G486 PolarHBondContact O-N 2.82Å; D484-G486 PolarHBondContact OD1-N 2.84Å
487	M	86.9	Confident	92.9	Very high	125 Å²	125	57 Å²	57	62%	0.616	29%	0.293	S	S	*	.			trans	-74.7	125.2	173.3	-62	-174.8	71.5	0	0	109.9	E489 N490	M487-E489 PolarHBondContact O-N 3.06Å; M487-N490 WeakPolarHBondContact O-CB 3.17Å; M487-N490 PolarHBondContact O-N 2.67Å
488	K	82.3	Confident	92.9	Very high	150 Å²	150	52.8 Å²	52.8	65%	0.652	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-58.8	-27	-172.7	-176.7	177.2	-179.7	-178.6	0	112.6	H491 R527	K488-H491 PolarHBondContact O-CE1 3.45Å; K488-H491 PolarHBondContact O-ND1 3.18Å; K488-R527 PolarHBondContact O-NH1 2.89Å
489	E	86.3	Confident	92.8	Very high	127 Å²	127	56.3 Å²	56.3	59%	0.593	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-71.9	-33.3	179.8	-60.1	63.4	-134.7	0	0	111.9	M487 H491	M487-E489 PolarHBondContact O-N 3.06Å; E489-H491 PolarHBondContact O-N 2.92Å; E489-H491 PolarHBondContact O-ND1 2.52Å
490	N	88.2	Confident	92.6	Very high	100 Å²	100	53.1 Å²	53.1	54%	0.535	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-72.7	-12.6	-179	-65	-1.6	0	0	0	113	M487 T492	M487-N490 WeakPolarHBondContact O-CB 3.17Å; M487-N490 PolarHBondContact O-N 2.67Å; N490-T492 PolarHBondContact O-N 2.86Å; N490-T492 PolarHBondContact O-OG1 2.8Å
491	H	90.8	Very high	92.2	Very high	87 Å²	87	56.9 Å²	56.9	40%	0.403	28%	0.284	S	S	.	.			trans	51.9	26.5	175.8	-63.2	-5.9	0	0	0	114.6	K488 E489 R527 Q539 L540	K488-H491 PolarHBondContact O-CE1 3.45Å; K488-H491 PolarHBondContact O-ND1 3.18Å; E489-H491 PolarHBondContact O-N 2.92Å; E489-H491 PolarHBondContact O-ND1 2.52Å; H491-R527 VanDerWaalsContact CG-NH2 3.3Å; H491-R527 PolarHBondContact ND1-NH1 3.19Å; H491-R527 PolarHBondContact ND1-NH2 2.87Å; H491-Q539 CarbonylContact O-C 3.54Å; H491-Q539 WeakPolarHBondContact O-CA 3.49Å; H491-Q539 PolarHBondContact O-OE1 2.89Å; H491-L540 PolarHBondContact O-N 2.81Å
492	T	93.7	Very high	91.8	Very high	32 Å²	32	57.8 Å²	57.8	20%	0.196	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-136.1	140.8	-173.1	33.1	0	0	0	0	110.7	N490 F537 P538	N490-T492 PolarHBondContact O-N 2.86Å; N490-T492 PolarHBondContact O-OG1 2.8Å; T492-F537 HydrophobicContact CG2-CB 3.81Å; T492-P538 CarbonylContact C-O 3.58Å; T492-P538 VanDerWaalsContact CA-O 3.3Å; T492-P538 WeakPolarHBondContact CA-O 3.43Å
493	A	94.8	Very high	91.5	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.033	31%	0.31	C	S	.	.			trans	-77.2	144.5	171	0	0	0	0	0	110	D484 L516 P538 L540 L584	D484-A493 WeakPolarHBondContact O-CA 3.42Å; A493-L516 HydrophobicContact CB-CD1 3.89Å; A493-P538 HydrophobicContact CB-CG 4.13Å; A493-P538 PolarHBondContact N-O 2.96Å; A493-L540 HydrophobicContact CB-CD1 3.93Å; A493-L540 HydrophobicContact CB-CD2 4.3Å; A493-L540 HydrophobicContact CB-CG 3.91Å; A493-L584 HydrophobicContact CB-CD2 3.95Å
494	T	95.1	Very high	91.4	Very high	41 Å²	41	60.1 Å²	60.1	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	-170.8	-173.5	-174.2	0	0	0	0	111	M483 D484	M483-T494 WeakPolarHBondContact CA-O 3.37Å; D484-T494 HydrophobicContact CB-CG2 4.33Å; D484-T494 PolarHBondContact N-O 2.76Å; D484-T494 PolarHBondContact O-N 2.8Å
495	L	96	Very high	91.3	Very high	3 Å²	3	61 Å²	61	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.6	176.1	-64.4	170.7	0	0	0	110.5	L481 C482 V573 F580 H582 L584	L481-L495 HydrophobicContact CB-CB 4.31Å; L481-L495 HydrophobicContact CB-CD2 4.47Å; L481-L495 HydrophobicContact CD1-CB 4.2Å; L481-L495 HydrophobicContact CD1-CD1 4.22Å; C482-L495 WeakPolarHBondContact O-CA 3.46Å; L495-V573 HydrophobicContact CD1-CB 4.39Å; L495-V573 HydrophobicContact CD1-CG1 3.67Å; L495-V573 HydrophobicContact CD1-CG2 3.89Å; L495-V573 HydrophobicContact CD2-CG2 4.38Å; L495-F580 VanDerWaalsContact O-CD2 3.28Å; L495-F580 WeakPolarHBondContact O-CD2 3.31Å; L495-H582 HydrophobicContact CD1-CB 3.97Å; L495-L584 HydrophobicContact CD1-CB 4.5Å; L495-L584 HydrophobicContact CG-CB 4.12Å
496	H	95.8	Very high	91.3	Very high	62 Å²	62	58.9 Å²	58.9	29%	0.287	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161.2	170.1	-82.7	-113.7	0	0	0	109.9	L481 C482 D484 C498 F580	L481-H496 CarbonylContact C-O 3.58Å; L481-H496 WeakPolarHBondContact CA-O 3.33Å; C482-H496 PolarHBondContact N-O 2.98Å; C482-H496 PolarHBondContact O-N 2.93Å; C482-H496 VanDerWaalsContact O-N 3.1Å; D484-H496 HydrophobicContact CB-CB 4.05Å; D484-H496 WeakPolarHBondContact OD2-CB 3.44Å; D484-H496 IonicContact OD2-CG 3.74Å; H496-C498 PolarHBondContact O-N 2.87Å; H496-F580 HydrophobicContact CB-CE2 4.44Å; H496-F580 AromaticContact CE1-CE2 3.77Å; H496-F580 AromaticContact CG-CE2 3.81Å; H496-F580 AromaticContact ND1-CE2 3.58Å; H496-F580 AromaticContact ND1-CZ 3.83Å
497	P	96	Very high	91.6	Very high	61 Å²	61	58.2 Å²	58.2	40%	0.396	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	135.1	170.9	-26.5	35.5	0	0	0	111.5	L481 H499 Q504 F580	L481-P497 HydrophobicContact CD2-CG 4.41Å; P497-H499 PolarHBondContact O-CD2 2.77Å; P497-H499 VanDerWaalsContact O-CD2 3.31Å; P497-H499 PolarHBondContact O-N 3.09Å; P497-H499 VanDerWaalsContact O-N 3.11Å; P497-Q504 PolarHBondContact O-NE2 3.18Å; P497-F580 VanDerWaalsContact CD-CE1 3.41Å; P497-F580 HydrophobicContact CG-CD1 3.9Å; P497-F580 HydrophobicContact CG-CE1 3.61Å; P497-F580 HydrophobicContact CG-CZ 4.22Å
498	C	95.8	Very high	92	Very high	36 Å²	36	53 Å²	53	24%	0.243	27%	0.268	C	S	.	.			trans	-64.3	112.1	-177.2	-70.7	0	0	0	0	112.2	H480 C482 H496	H480-C498 PolarHBondContact O-N 3.17Å; C482-C498 VanDerWaalsContact CA-SG 3.6Å; C482-C498 HydrophobicContact CB-CB 4.03Å; C482-C498 WeakPolarHBondContact CB-SG 3.48Å; C482-C498 PolarHBondContact N-SG 2.66Å; C482-C498 VanDerWaalsContact SG-CA 3.57Å; C482-C498 WeakPolarHBondContact SG-CB 3.37Å; C482-C498 CovalentContact SG-SG 2.04Å; C482-C498 PolarHBondContact SG-SG 3.4Å; H496-C498 PolarHBondContact O-N 2.87Å
499	H	92.4	Very high	92.7	Very high	79 Å²	79	45.9 Å²	45.9	37%	0.366	24%	0.237	S	C	.	.			trans	-123.1	-15	172.1	62.8	81.9	0	0	0	113.2	D484 P497 W501 Q504	D484-H499 IonicContact OD2-NE2 3.79Å; P497-H499 PolarHBondContact O-CD2 2.77Å; P497-H499 VanDerWaalsContact O-CD2 3.31Å; P497-H499 PolarHBondContact O-N 3.09Å; P497-H499 VanDerWaalsContact O-N 3.11Å; H499-W501 VanDerWaalsContact C-N 3.32Å; H499-W501 WeakPolarHBondContact ND1-CB 3.34Å; H499-W501 AromaticContact ND1-CD1 3.79Å; H499-W501 AromaticContact ND1-CD2 3.57Å; H499-W501 AromaticContact ND1-CG 3.26Å; H499-W501 VanDerWaalsContact ND1-CG 3.26Å; H499-W501 PolarHBondContact ND1-N 2.94Å; H499-W501 PolarHBondContact O-N 3.28Å; H499-W501 PolarHBondContact O-NE1 3.37Å; H499-Q504 PolarHBondContact CD2-NE2 3.1Å; H499-Q504 PolarHBondContact NE2-NE2 2.98Å
500	G	87.6	Confident	93.1	Very high	11 Å²	11	45.2 Å²	45.2	11%	0.113	23%	0.232	C	C	.	.			trans	69.9	21.2	168.8	0	0	0	0	0	115.9	N422	N422-G500 PolarHBondContact ND2-O 3.27Å
501	W	87.3	Confident	93.4	Very high	194 Å²	194	44.5 Å²	44.5	74%	0.735	23%	0.226	S	C	*	.	S	Bend	trans	-90.6	177.5	173.6	-51.2	-9.7	0	0	0	110.8	H499 Q504	H499-W501 VanDerWaalsContact C-N 3.32Å; H499-W501 WeakPolarHBondContact ND1-CB 3.34Å; H499-W501 AromaticContact ND1-CD1 3.79Å; H499-W501 AromaticContact ND1-CD2 3.57Å; H499-W501 AromaticContact ND1-CG 3.26Å; H499-W501 VanDerWaalsContact ND1-CG 3.26Å; H499-W501 PolarHBondContact ND1-N 2.94Å; H499-W501 PolarHBondContact O-N 3.28Å; H499-W501 PolarHBondContact O-NE1 3.37Å; W501-Q504 PolarHBondContact O-N 3.16Å
502	G	87.8	Confident	93.7	Very high	22 Å²	22	40.4 Å²	40.4	23%	0.227	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-30.9	-55.6	-176.7	0	0	0	0	0	117.4	Q504 L505 G517	G502-Q504 PolarHBondContact O-N 2.85Å; G502-Q504 VanDerWaalsContact O-N 3.16Å; G502-L505 WeakPolarHBondContact O-CB 3.38Å; G502-L505 PolarHBondContact O-N 3.1Å; G502-L505 VanDerWaalsContact O-N 3.14Å; G502-G517 CarbonylContact O-C 3.58Å; G502-G517 VanDerWaalsContact O-C 3.23Å; G502-G517 VanDerWaalsContact O-CA 3.27Å; G502-G517 WeakPolarHBondContact O-CA 3.03Å
503	P	92	Very high	93.8	Very high	49 Å²	49	40.7 Å²	40.7	32%	0.318	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-60	-23.1	-179.5	-26.5	36.4	0	0	0	115.6	D484 Q485	D484-P503 VanDerWaalsContact OD1-CB 3.23Å; D484-P503 WeakPolarHBondContact OD1-CB 3.29Å; Q485-P503 HydrophobicContact CB-CB 4.3Å; Q485-P503 PolarHBondContact N-O 3.4Å
504	Q	93.8	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-103.5	7	-179.1	-61.3	-174.2	-10.7	0	0	113.2	C482 D484 P497 H499 W501 G502 G506	C482-Q504 HydrophobicContact CB-CG 4.36Å; D484-Q504 HydrophobicContact CB-CG 4.15Å; D484-Q504 WeakPolarHBondContact OD2-CG 3.28Å; D484-Q504 PolarHBondContact OD2-NE2 3Å; P497-Q504 PolarHBondContact O-NE2 3.18Å; H499-Q504 PolarHBondContact CD2-NE2 3.1Å; H499-Q504 PolarHBondContact NE2-NE2 2.98Å; W501-Q504 PolarHBondContact O-N 3.16Å; G502-Q504 PolarHBondContact O-N 2.85Å; G502-Q504 VanDerWaalsContact O-N 3.16Å; Q504-G506 PolarHBondContact O-N 2.84Å; Q504-G506 VanDerWaalsContact O-N 3.11Å
505	L	92.3	Very high	93.9	Very high	24 Å²	24	38.9 Å²	38.9	13%	0.126	19%	0.194	C	C	.	.			trans	-78.2	96.6	175.1	-58.3	-171.3	0	0	0	109.3	N422 G502 L516 G517	N422-L505 HydrophobicContact CB-CD2 3.64Å; N422-L505 VanDerWaalsContact CG-CD2 3.44Å; N422-L505 WeakPolarHBondContact ND2-CD2 3.28Å; G502-L505 WeakPolarHBondContact O-CB 3.38Å; G502-L505 PolarHBondContact O-N 3.1Å; G502-L505 VanDerWaalsContact O-N 3.14Å; L505-L516 CarbonylContact O-C 3.47Å; L505-L516 WeakPolarHBondContact O-CA 3.3Å; L505-G517 PolarHBondContact O-N 2.71Å
506	G	94.4	Very high	93.7	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	153.3	169	0	0	0	0	0	112.2	Y470 G471 Q504 F515	Y470-G506 CarbonylContact C-O 3.55Å; Y470-G506 VanDerWaalsContact CA-O 3.23Å; Y470-G506 WeakPolarHBondContact CA-O 3.48Å; G471-G506 PolarHBondContact N-O 2.67Å; G471-G506 VanDerWaalsContact O-CA 3.29Å; G471-G506 WeakPolarHBondContact O-CA 3.13Å; G471-G506 PolarHBondContact O-N 3.23Å; Q504-G506 PolarHBondContact O-N 2.84Å; Q504-G506 VanDerWaalsContact O-N 3.11Å; G506-F515 CarbonylContact C-O 3.46Å; G506-F515 VanDerWaalsContact CA-O 3.31Å; G506-F515 WeakPolarHBondContact CA-O 3.2Å
507	R	94.4	Very high	93.4	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.045	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	119.3	172.2	-168.5	-177.4	74.6	91.6	-4.3	110.1	L419 N466 T467 F515	L419-R507 HydrophobicContact CD1-CG 4.45Å; N466-R507 PolarHBondContact OD1-NH1 2.79Å; T467-R507 HydrophobicContact CG2-CG 3.55Å; T467-R507 WeakPolarHBondContact OG1-CD 3.49Å; T467-R507 PolarHBondContact OG1-NH1 3.02Å; R507-F515 HydrophobicContact CB-CB 4.24Å; R507-F515 PolarHBondContact N-O 3.42Å; R507-F515 VanDerWaalsContact NH2-CE2 3.28Å; R507-F515 PolarHBondContact O-N 3.08Å
508	Y	96.3	Very high	92.8	Very high	17 Å²	17	36.5 Å²	36.5	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.5	177	-179.9	-103.3	0	0	0	110.7	V468 F469 Q513 L514 W554 F556	V468-Y508 HydrophobicContact CB-CD1 4.35Å; V468-Y508 PolarHBondContact N-O 2.62Å; F469-Y508 AromaticContact CD2-CD1 3.57Å; F469-Y508 HydrophobicContact CD2-CD1 3.57Å; F469-Y508 HydrophobicContact CD2-CE1 4.28Å; F469-Y508 HydrophobicContact CD2-CG 4.3Å; F469-Y508 AromaticContact CE2-CD1 3.99Å; F469-Y508 HydrophobicContact CE2-CD1 3.99Å; F469-Y508 HydrophobicContact CE2-CE1 4.25Å; F469-Y508 PolarHBondContact N-O 2.93Å; F469-Y508 PolarHBondContact O-N 3.48Å; Y508-Q513 WeakPolarHBondContact CA-O 3.3Å; Y508-L514 HydrophobicContact CD2-CB 4.45Å; Y508-L514 HydrophobicContact CD2-CD1 4.29Å; Y508-W554 HydrophobicContact CE2-CB 4.46Å; Y508-W554 PolarHBondContact OH-O 3.32Å; Y508-F556 HydrophobicContact CD1-CD1 4.13Å; Y508-F556 HydrophobicContact CD2-CD1 4.44Å; Y508-F556 HydrophobicContact CE1-CB 4.44Å; Y508-F556 HydrophobicContact CE1-CD1 4.21Å; Y508-F556 HydrophobicContact CE2-CB 4Å; Y508-F556 HydrophobicContact CG-CD1 4.23Å; Y508-F556 PolarHBondContact OH-N 3.24Å
509	T	95.6	Very high	92.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	165.4	-171.1	81.1	0	0	0	0	114.3	N466 E511 G512 Q513 F515	N466-T509 CarbonylContact O-C 3.5Å; N466-T509 VanDerWaalsContact O-CA 3.25Å; N466-T509 WeakPolarHBondContact O-CA 2.99Å; N466-T509 WeakPolarHBondContact O-CB 3.24Å; T509-E511 WeakPolarHBondContact CB-OE2 3.24Å; T509-E511 PolarHBondContact O-N 3.1Å; T509-E511 PolarHBondContact OG1-N 3.02Å; T509-E511 PolarHBondContact OG1-OE2 2.99Å; T509-G512 WeakPolarHBondContact O-CA 3.48Å; T509-G512 PolarHBondContact O-N 3.32Å; T509-Q513 HydrophobicContact CG2-CB 4.24Å; T509-Q513 PolarHBondContact N-O 3.12Å; T509-Q513 PolarHBondContact OG1-N 2.82Å; T509-F515 HydrophobicContact CG2-CD2 4.02Å; T509-F515 HydrophobicContact CG2-CE2 3.77Å
510	K	95.5	Very high	91.9	Very high	113 Å²	113	33 Å²	33	49%	0.491	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.5	175.8	-70.8	170.1	-176.9	163.3	0	112.4	N465 N466 V468 G512	N465-K510 PolarHBondContact O-NZ 3.4Å; N465-K510 VanDerWaalsContact O-NZ 3.15Å; N466-K510 WeakPolarHBondContact O-CG 3.3Å; N466-K510 PolarHBondContact O-N 2.91Å; V468-K510 HydrophobicContact CG2-CB 4.31Å; V468-K510 HydrophobicContact CG2-CG 3.51Å; K510-G512 PolarHBondContact O-N 3.09Å
511	E	94.9	Very high	91.5	Very high	85 Å²	85	32.9 Å²	32.9	40%	0.397	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.4	177.1	-52.7	70.6	-142.7	0	0	112.3	N466 T509 Q513 R565	N466-E511 PolarHBondContact ND2-OE2 3.43Å; T509-E511 WeakPolarHBondContact CB-OE2 3.24Å; T509-E511 PolarHBondContact O-N 3.1Å; T509-E511 PolarHBondContact OG1-N 3.02Å; T509-E511 PolarHBondContact OG1-OE2 2.99Å; E511-Q513 HydrophobicContact CB-CG 4.46Å; E511-R565 PolarHBondContact O-NH1 3.3Å
512	G	96.5	Very high	91.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.			trans	90	12.9	-174.1	0	0	0	0	0	114.3	T509 K510 T553 W554	T509-G512 WeakPolarHBondContact O-CA 3.48Å; T509-G512 PolarHBondContact O-N 3.32Å; K510-G512 PolarHBondContact O-N 3.09Å; G512-T553 CarbonylContact O-C 3.56Å; G512-T553 WeakPolarHBondContact O-CA 3.38Å; G512-W554 WeakPolarHBondContact CA-O 3.21Å; G512-W554 PolarHBondContact O-N 2.85Å
513	Q	95.9	Very high	90.2	Very high	38 Å²	38	27.2 Å²	27.2	18%	0.178	16%	0.157	C	C	.	.			trans	-75.3	138.4	175.6	-63.9	172.8	-20.5	0	0	109.5	Y508 T509 E511 F515 T553	Y508-Q513 WeakPolarHBondContact CA-O 3.3Å; T509-Q513 HydrophobicContact CG2-CB 4.24Å; T509-Q513 PolarHBondContact N-O 3.12Å; T509-Q513 PolarHBondContact OG1-N 2.82Å; E511-Q513 HydrophobicContact CB-CG 4.46Å; Q513-F515 HydrophobicContact CB-CD2 4.09Å; Q513-F515 HydrophobicContact CB-CE2 3.45Å; Q513-F515 VanDerWaalsContact CB-CE2 3.45Å; Q513-F515 HydrophobicContact CB-CZ 4.16Å; Q513-F515 HydrophobicContact CG-CE2 4.37Å; Q513-T553 HydrophobicContact CG-CG2 4.12Å
514	L	96.4	Very high	88.9	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.1	173.8	-175.3	65.8	0	0	0	108.6	I473 M483 Y508 C528 V529 I562 L571 I596	I473-L514 HydrophobicContact CD1-CD1 3.88Å; I473-L514 HydrophobicContact CD1-CD2 4.4Å; I473-L514 HydrophobicContact CD1-CG 4.37Å; M483-L514 HydrophobicContact SD-CD2 4.45Å; Y508-L514 HydrophobicContact CD2-CB 4.45Å; Y508-L514 HydrophobicContact CD2-CD1 4.29Å; L514-C528 CarbonylContact O-C 3.49Å; L514-C528 VanDerWaalsContact O-CA 3.22Å; L514-C528 WeakPolarHBondContact O-CA 3.4Å; L514-C528 WeakPolarHBondContact O-CB 3.25Å; L514-V529 HydrophobicContact CB-CB 4.33Å; L514-V529 HydrophobicContact CB-CG2 4.36Å; L514-V529 HydrophobicContact CD2-CB 4.25Å; L514-V529 HydrophobicContact CD2-CG2 3.96Å; L514-V529 HydrophobicContact CG-CB 4.42Å; L514-V529 HydrophobicContact CG-CG2 3.99Å; L514-V529 PolarHBondContact O-N 3.24Å; L514-I562 HydrophobicContact CD2-CD1 4.41Å; L514-I562 HydrophobicContact CD2-CG2 4.4Å; L514-L571 HydrophobicContact CD2-CD1 3.83Å; L514-I596 HydrophobicContact CD1-CD1 4.05Å
515	F	94.7	Very high	87.5	Confident	7 Å²	7	33.2 Å²	33.2	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	154.5	179.5	-64.7	-97.3	0	0	0	111.2	G506 R507 T509 Q513 T526 R527 C528 C543	G506-F515 CarbonylContact C-O 3.46Å; G506-F515 VanDerWaalsContact CA-O 3.31Å; G506-F515 WeakPolarHBondContact CA-O 3.2Å; R507-F515 HydrophobicContact CB-CB 4.24Å; R507-F515 PolarHBondContact N-O 3.42Å; R507-F515 VanDerWaalsContact NH2-CE2 3.28Å; R507-F515 PolarHBondContact O-N 3.08Å; T509-F515 HydrophobicContact CG2-CD2 4.02Å; T509-F515 HydrophobicContact CG2-CE2 3.77Å; Q513-F515 HydrophobicContact CB-CD2 4.09Å; Q513-F515 HydrophobicContact CB-CE2 3.45Å; Q513-F515 VanDerWaalsContact CB-CE2 3.45Å; Q513-F515 HydrophobicContact CB-CZ 4.16Å; Q513-F515 HydrophobicContact CG-CE2 4.37Å; F515-T526 WeakPolarHBondContact CD1-O 3.46Å; F515-T526 WeakPolarHBondContact CD1-OG1 3.11Å; F515-R527 WeakPolarHBondContact CA-O 3.16Å; F515-C528 HydrophobicContact CD1-CB 3.94Å; F515-C528 HydrophobicContact CE1-CB 4.03Å; F515-C528 HydrophobicContact CG-CB 4.42Å; F515-C543 HydrophobicContact CE1-CB 3.73Å; F515-C543 HydrophobicContact CZ-CB 4.06Å
516	L	93.1	Very high	86.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.3	172.4	-88.7	156.8	0	0	0	110.5	I473 M483 Q485 A493 L505 R527 V529 L540	I473-L516 HydrophobicContact CD1-CD2 4.15Å; I473-L516 HydrophobicContact CD1-CG 4.29Å; M483-L516 HydrophobicContact CG-CD1 3.86Å; M483-L516 HydrophobicContact SD-CD1 3.86Å; Q485-L516 HydrophobicContact CG-CB 3.9Å; Q485-L516 PolarHBondContact NE2-O 2.83Å; A493-L516 HydrophobicContact CB-CD1 3.89Å; L505-L516 CarbonylContact O-C 3.47Å; L505-L516 WeakPolarHBondContact O-CA 3.3Å; L516-R527 PolarHBondContact N-O 3.43Å; L516-R527 PolarHBondContact O-N 2.78Å; L516-V529 HydrophobicContact CD1-CG2 3.93Å; L516-L540 HydrophobicContact CB-CD2 4.12Å; L516-L540 HydrophobicContact CD1-CD2 4.12Å
517	G	89.3	Confident	86.3	Confident	2 Å²	2	34.8 Å²	34.8	2%	0.021	19%	0.19	C	C	.	.	S	Bend	trans	123.5	176.8	171.8	0	0	0	0	0	114.7	Q485 G502 L505 T526	Q485-G517 VanDerWaalsContact CD-CA 3.43Å; Q485-G517 VanDerWaalsContact NE2-CA 3.32Å; G502-G517 CarbonylContact O-C 3.58Å; G502-G517 VanDerWaalsContact O-C 3.23Å; G502-G517 VanDerWaalsContact O-CA 3.27Å; G502-G517 WeakPolarHBondContact O-CA 3.03Å; L505-G517 PolarHBondContact O-N 2.71Å; G517-T526 WeakPolarHBondContact O-CG2 3.43Å
518	P	83.6	Confident	86.2	Confident	73 Å²	73	34.2 Å²	34.2	47%	0.474	19%	0.188	S	C	.	.	S	Bend	trans	-63.4	142.2	170.5	29.2	-35.1	0	0	0	111	T526	P518-T526 WeakPolarHBondContact O-CG2 3.45Å
519	L	86.4	Confident	86.2	Confident	31 Å²	31	33.4 Å²	33.4	16%	0.162	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-60.5	138.3	179.7	-58.2	-179.9	0	0	0	111.9	W301 L419 A420 Y464	W301-L519 HydrophobicContact CB-CD1 4.4Å; L419-L519 HydrophobicContact CD2-CD1 4.03Å; L419-L519 HydrophobicContact CD2-CD2 4.22Å; L419-L519 HydrophobicContact CG-CD1 3.94Å; L419-L519 HydrophobicContact CG-CD2 4.31Å; A420-L519 HydrophobicContact CB-CD1 3.77Å; Y464-L519 HydrophobicContact CD2-CD1 4.05Å; Y464-L519 HydrophobicContact CD2-CD2 4.38Å; Y464-L519 HydrophobicContact CE1-CD2 4.3Å; Y464-L519 HydrophobicContact CE2-CB 3.91Å; Y464-L519 HydrophobicContact CE2-CD1 3.97Å; Y464-L519 HydrophobicContact CE2-CD2 4.12Å; Y464-L519 HydrophobicContact CE2-CG 4.23Å
520	G	82.9	Confident	86.3	Confident	10 Å²	10	33.5 Å²	33.5	10%	0.103	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-70.8	156	164	0	0	0	0	0	112.1	Y464	Y464-G520 WeakPolarHBondContact CE2-O 3.34Å; Y464-G520 WeakPolarHBondContact OH-CA 3.06Å; Y464-G520 PolarHBondContact OH-N 3.34Å; Y464-G520 PolarHBondContact OH-O 2.61Å
521	S	79.6	Confident	86.3	Confident	9 Å²	9	28.1 Å²	28.1	6%	0.063	16%	0.162	C	C	.	.	S	Bend	trans	-108	-77.7	166	178.8	0	0	0	0	110.1	Y299 R462	Y299-S521 PolarHBondContact O-OG 3.31Å; R462-S521 VanDerWaalsContact CB-O 3.22Å; R462-S521 WeakPolarHBondContact CB-O 3.33Å; R462-S521 PolarHBondContact N-O 2.04Å
522	T	77.2	Confident	86.3	Confident	53 Å²	53	26 Å²	26	33%	0.325	15%	0.153	S	C	.	.	S	Bend	trans	-110.9	-15.1	-178.8	55.2	0	0	0	0	113.9	M306 I308 Y458 E460	M306-T522 WeakPolarHBondContact CE-OG1 3.33Å; I308-T522 HydrophobicContact CG2-CG2 4.43Å; Y458-T522 HydrophobicContact CE2-CG2 3.69Å; Y458-T522 WeakPolarHBondContact OH-CG2 3.29Å; E460-T522 HydrophobicContact CB-CG2 3.87Å
523	G	69.3	Low	86	Confident	44 Å²	44	31 Å²	31	45%	0.454	18%	0.177	S	C	.	.	S	Bend	trans	-99.6	-159.5	-175.6	0	0	0	0	0	114.6	R462	R462-G523 PolarHBondContact NH1-O 3.05Å; R462-G523 PolarHBondContact NH2-O 2.59Å
524	D	65	Low	85.9	Confident	139 Å²	139	36.6 Å²	36.6	74%	0.743	21%	0.207	S	C	*	.	S	Bend	trans	-48.7	141.4	173	-88.7	-39	0	0	0	111.7
525	D	63.9	Low	85.7	Confident	36 Å²	36	37.8 Å²	37.8	19%	0.193	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-89.2	171.7	-176.8	-156.5	54.3	0	0	0	113.6	R462 Y464	R462-D525 WeakPolarHBondContact CD-OD1 3.36Å; R462-D525 IonicContact CZ-OD1 3.8Å; R462-D525 IonicContact NE-OD1 3.21Å; R462-D525 VanDerWaalsContact NH1-CB 3.34Å; R462-D525 IonicContact NH1-OD1 2.83Å; R462-D525 PolarHBondContact NH1-OD1 2.93Å; Y464-D525 PolarHBondContact OH-OD1 3.38Å
526	T	71.7	Confident	85.7	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.049	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-46.4	141.1	161.1	47	0	0	0	0	111.9	F515 G517 P518	F515-T526 WeakPolarHBondContact CD1-O 3.46Å; F515-T526 WeakPolarHBondContact CD1-OG1 3.11Å; G517-T526 WeakPolarHBondContact O-CG2 3.43Å; P518-T526 WeakPolarHBondContact O-CG2 3.45Å
527	R	89.8	Confident	85.9	Confident	52 Å²	52	44 Å²	44	20%	0.196	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.9	175	-67.8	175.1	81.5	155.4	1.5	108.7	K488 H491 F515 L516 L540 L541	K488-R527 PolarHBondContact O-NH1 2.89Å; H491-R527 VanDerWaalsContact CG-NH2 3.3Å; H491-R527 PolarHBondContact ND1-NH1 3.19Å; H491-R527 PolarHBondContact ND1-NH2 2.87Å; F515-R527 WeakPolarHBondContact CA-O 3.16Å; L516-R527 PolarHBondContact N-O 3.43Å; L516-R527 PolarHBondContact O-N 2.78Å; R527-L540 HydrophobicContact CB-CB 4.07Å; R527-L540 HydrophobicContact CB-CD2 4.24Å; R527-L540 PolarHBondContact NE-O 3.28Å; R527-L540 PolarHBondContact NH2-O 3.38Å; R527-L541 CarbonylContact C-O 3.6Å; R527-L541 WeakPolarHBondContact CA-O 3.49Å; R527-L541 WeakPolarHBondContact CB-O 3.3Å
528	C	92.9	Very high	86.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	150.9	175.8	73.1	0	0	0	0	111.3	L514 F515 V530 L540 L541 C543	L514-C528 CarbonylContact O-C 3.49Å; L514-C528 VanDerWaalsContact O-CA 3.22Å; L514-C528 WeakPolarHBondContact O-CA 3.4Å; L514-C528 WeakPolarHBondContact O-CB 3.25Å; F515-C528 HydrophobicContact CD1-CB 3.94Å; F515-C528 HydrophobicContact CE1-CB 4.03Å; F515-C528 HydrophobicContact CG-CB 4.42Å; C528-V530 WeakPolarHBondContact SG-CG2 3.38Å; C528-L540 WeakPolarHBondContact O-CA 3.13Å; C528-L541 PolarHBondContact N-O 3.17Å; C528-L541 PolarHBondContact O-N 3.22Å; C528-C543 HydrophobicContact CB-CB 3.86Å; C528-C543 WeakPolarHBondContact SG-CA 3.45Å; C528-C543 VanDerWaalsContact SG-CB 3.6Å
529	V	96.3	Very high	86.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.4	173	-171.9	0	0	0	0	109.1	L514 L516 P538 Q539 L540 W554 L571	L514-V529 HydrophobicContact CB-CB 4.33Å; L514-V529 HydrophobicContact CB-CG2 4.36Å; L514-V529 HydrophobicContact CD2-CB 4.25Å; L514-V529 HydrophobicContact CD2-CG2 3.96Å; L514-V529 HydrophobicContact CG-CB 4.42Å; L514-V529 HydrophobicContact CG-CG2 3.99Å; L514-V529 PolarHBondContact O-N 3.24Å; L516-V529 HydrophobicContact CD1-CG2 3.93Å; V529-P538 HydrophobicContact CG1-CB 3.76Å; V529-Q539 CarbonylContact C-O 3.55Å; V529-Q539 WeakPolarHBondContact CA-O 3.41Å; V529-L540 HydrophobicContact CG2-CD2 3.98Å; V529-W554 HydrophobicContact CB-CZ2 4.38Å; V529-W554 HydrophobicContact CG1-CH2 4.47Å; V529-W554 HydrophobicContact CG1-CZ2 3.8Å; V529-W554 PolarHBondContact O-NE1 2.98Å; V529-L571 HydrophobicContact CG1-CD1 4.24Å; V529-L571 HydrophobicContact CG1-CD2 4.22Å
530	V	96.9	Very high	87.2	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.9	-172	-174	0	0	0	0	110.7	C528 Q539 L541 V546 Q551 K552	C528-V530 WeakPolarHBondContact SG-CG2 3.38Å; V530-Q539 HydrophobicContact CB-CB 4.43Å; V530-Q539 PolarHBondContact N-O 3.2Å; V530-Q539 PolarHBondContact O-N 2.87Å; V530-L541 HydrophobicContact CB-CD1 4.18Å; V530-L541 HydrophobicContact CG1-CD1 4.21Å; V530-L541 HydrophobicContact CG2-CB 4.1Å; V530-L541 HydrophobicContact CG2-CD1 4.23Å; V530-L541 HydrophobicContact CG2-CG 4.36Å; V530-V546 HydrophobicContact CG1-CG1 4.17Å; V530-V546 HydrophobicContact CG2-CG2 4.27Å; V530-Q551 HydrophobicContact CG1-CB 4.01Å; V530-K552 HydrophobicContact CG2-CB 4.07Å
531	D	96.9	Very high	87.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.			trans	-90.8	106.9	161.4	-173.3	-30.8	0	0	0	108.3	Q533 Q551 W554 N564 T567 R569 L586	D531-Q533 PolarHBondContact O-N 2.86Å; D531-Q533 WeakPolarHBondContact OD1-CA 3.33Å; D531-Q533 PolarHBondContact OD1-N 3.35Å; D531-Q551 PolarHBondContact N-O 3.41Å; D531-Q551 VanDerWaalsContact N-O 3.09Å; D531-Q551 VanDerWaalsContact O-CB 3.25Å; D531-Q551 WeakPolarHBondContact O-CB 3.49Å; D531-Q551 WeakPolarHBondContact O-CG 3.49Å; D531-W554 HydrophobicContact CB-CH2 4.15Å; D531-N564 HydrophobicContact CB-CB 4.13Å; D531-N564 VanDerWaalsContact CB-CG 3.42Å; D531-N564 VanDerWaalsContact CB-ND2 3.29Å; D531-N564 WeakPolarHBondContact CB-ND2 3.4Å; D531-T567 HydrophobicContact CB-CG2 4.48Å; D531-T567 VanDerWaalsContact CG-CG2 3.49Å; D531-T567 WeakPolarHBondContact OD2-CB 3.49Å; D531-T567 VanDerWaalsContact OD2-CG2 3.27Å; D531-T567 WeakPolarHBondContact OD2-CG2 3.33Å; D531-T567 PolarHBondContact OD2-OG1 2.96Å; D531-R569 VanDerWaalsContact CG-NH2 3.29Å; D531-R569 IonicContact OD1-CZ 3.29Å; D531-R569 IonicContact OD1-NE 3.5Å; D531-R569 IonicContact OD1-NH2 3.57Å; D531-R569 PolarHBondContact OD1-NH2 3.09Å; D531-R569 IonicContact OD2-CZ 3.43Å; D531-R569 IonicContact OD2-NE 3.56Å; D531-R569 PolarHBondContact OD2-NE 3.49Å; D531-R569 IonicContact OD2-NH2 3.49Å; D531-R569 PolarHBondContact OD2-NH2 2.94Å; D531-L586 HydrophobicContact CB-CD1 3.94Å
532	D	93.3	Very high	88.1	Confident	40 Å²	40	43.9 Å²	43.9	21%	0.214	24%	0.241	C	C	.	.			trans	-80.3	-3.5	179.1	67.4	-5.1	0	0	0	113.6	I534 S535 Q539	D532-I534 PolarHBondContact O-N 3.27Å; D532-I534 PolarHBondContact OD1-N 3.42Å; D532-S535 WeakPolarHBondContact OD1-CB 3.41Å; D532-S535 PolarHBondContact OD1-N 3.31Å; D532-S535 WeakPolarHBondContact OD2-CB 3.47Å; D532-Q539 HydrophobicContact CB-CG 3.96Å; D532-Q539 WeakPolarHBondContact OD2-CG 3.44Å
533	Q	91.7	Very high	88.7	Confident	107 Å²	107	41.7 Å²	41.7	50%	0.5	23%	0.227	S	C	.	.	S	Bend	trans	65.9	4.9	-175.4	-45.1	-173	-13.4	0	0	115.5	D531 Q551 T567	D531-Q533 PolarHBondContact O-N 2.86Å; D531-Q533 WeakPolarHBondContact OD1-CA 3.33Å; D531-Q533 PolarHBondContact OD1-N 3.35Å; Q533-Q551 HydrophobicContact CG-CG 4.45Å; Q533-T567 HydrophobicContact CB-CG2 4.49Å; Q533-T567 HydrophobicContact CG-CG2 3.65Å
534	I	92.1	Very high	89.6	Confident	155 Å²	155	46 Å²	46	80%	0.795	24%	0.24	S	C	*	.	S	Bend	trans	-116.1	-45.7	-176.6	-60.9	169.2	0	0	0	110.1	D532	D532-I534 PolarHBondContact O-N 3.27Å; D532-I534 PolarHBondContact OD1-N 3.42Å
535	S	93.9	Very high	90.7	Very high	25 Å²	25	47.2 Å²	47.2	18%	0.175	24%	0.238	C	C	.	.			trans	-84.2	148.3	-176.4	-169.3	0	0	0	0	112.2	D532 F537 Q539 R569	D532-S535 WeakPolarHBondContact OD1-CB 3.41Å; D532-S535 PolarHBondContact OD1-N 3.31Å; D532-S535 WeakPolarHBondContact OD2-CB 3.47Å; S535-F537 VanDerWaalsContact C-N 3.27Å; S535-F537 WeakPolarHBondContact CB-O 3.49Å; S535-F537 PolarHBondContact OG-N 2.92Å; S535-F537 PolarHBondContact OG-O 3.41Å; S535-Q539 PolarHBondContact OG-NE2 2.6Å; S535-R569 VanDerWaalsContact O-CZ 3.31Å; S535-R569 PolarHBondContact O-NH1 3.05Å; S535-R569 PolarHBondContact O-NH2 3.48Å
536	S	94.9	Very high	92	Very high	61 Å²	61	46 Å²	46	43%	0.427	23%	0.232	S	C	.	.	S	Bend	trans	-80.6	-9.2	163.1	53.3	0	0	0	0	112.6	V585 L586	S536-V585 CarbonylContact O-C 3.59Å; S536-V585 VanDerWaalsContact O-CA 3.31Å; S536-V585 WeakPolarHBondContact O-CA 3.5Å; S536-L586 PolarHBondContact O-N 3.27Å
537	F	96.2	Very high	92.9	Very high	77 Å²	77	51.7 Å²	51.7	34%	0.338	27%	0.269	S	S	.	.	S	Bend	trans	-106.2	140.2	179.8	-58.7	-75	0	0	0	111.2	T492 S535 Q539 L583 V585	T492-F537 HydrophobicContact CG2-CB 3.81Å; S535-F537 VanDerWaalsContact C-N 3.27Å; S535-F537 WeakPolarHBondContact CB-O 3.49Å; S535-F537 PolarHBondContact OG-N 2.92Å; S535-F537 PolarHBondContact OG-O 3.41Å; F537-Q539 PolarHBondContact O-N 3.16Å; F537-Q539 PolarHBondContact O-NE2 3.27Å; F537-L583 HydrophobicContact CE1-CD1 4.15Å; F537-L583 HydrophobicContact CE1-CD2 4.23Å; F537-V585 HydrophobicContact CD1-CG1 4.44Å; F537-V585 HydrophobicContact CE1-CG1 4.29Å
538	P	96.4	Very high	93	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.			trans	-67.5	121.2	176.6	26.8	-33	0	0	0	111.8	T492 A493 V529 L571 L584 L586	T492-P538 CarbonylContact C-O 3.58Å; T492-P538 VanDerWaalsContact CA-O 3.3Å; T492-P538 WeakPolarHBondContact CA-O 3.43Å; A493-P538 HydrophobicContact CB-CG 4.13Å; A493-P538 PolarHBondContact N-O 2.96Å; V529-P538 HydrophobicContact CG1-CB 3.76Å; P538-L571 HydrophobicContact CB-CD2 3.63Å; P538-L571 HydrophobicContact CG-CD2 3.82Å; P538-L584 HydrophobicContact CG-CD2 3.57Å; P538-L584 HydrophobicContact CG-CG 3.77Å; P538-L586 HydrophobicContact CB-CD1 4.25Å; P538-L586 HydrophobicContact CB-CD2 4.29Å; P538-L586 HydrophobicContact CB-CG 4.15Å
539	Q	96.1	Very high	93	Very high	28 Å²	28	55 Å²	55	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.9	-179	-56.9	-55.3	-61.2	0	0	110.4	H491 V529 V530 D532 S535 F537 L541	H491-Q539 CarbonylContact O-C 3.54Å; H491-Q539 WeakPolarHBondContact O-CA 3.49Å; H491-Q539 PolarHBondContact O-OE1 2.89Å; V529-Q539 CarbonylContact C-O 3.55Å; V529-Q539 WeakPolarHBondContact CA-O 3.41Å; V530-Q539 HydrophobicContact CB-CB 4.43Å; V530-Q539 PolarHBondContact N-O 3.2Å; V530-Q539 PolarHBondContact O-N 2.87Å; D532-Q539 HydrophobicContact CB-CG 3.96Å; D532-Q539 WeakPolarHBondContact OD2-CG 3.44Å; S535-Q539 PolarHBondContact OG-NE2 2.6Å; F537-Q539 PolarHBondContact O-N 3.16Å; F537-Q539 PolarHBondContact O-NE2 3.27Å; Q539-L541 HydrophobicContact CB-CD1 4.2Å; Q539-L541 HydrophobicContact CB-CD2 4.47Å; Q539-L541 HydrophobicContact CB-CG 4.02Å
540	L	94.2	Very high	92.8	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	107.9	168.7	-79.7	173.6	0	0	0	108.8	Q485 H491 A493 L516 R527 C528 V529	Q485-L540 HydrophobicContact CB-CD1 4.3Å; Q485-L540 HydrophobicContact CG-CD1 4.32Å; H491-L540 PolarHBondContact O-N 2.81Å; A493-L540 HydrophobicContact CB-CD1 3.93Å; A493-L540 HydrophobicContact CB-CD2 4.3Å; A493-L540 HydrophobicContact CB-CG 3.91Å; L516-L540 HydrophobicContact CB-CD2 4.12Å; L516-L540 HydrophobicContact CD1-CD2 4.12Å; R527-L540 HydrophobicContact CB-CB 4.07Å; R527-L540 HydrophobicContact CB-CD2 4.24Å; R527-L540 PolarHBondContact NE-O 3.28Å; R527-L540 PolarHBondContact NH2-O 3.38Å; C528-L540 WeakPolarHBondContact O-CA 3.13Å; V529-L540 HydrophobicContact CG2-CD2 3.98Å
541	L	92.3	Very high	92.8	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	160	-175.8	-58.8	177.9	0	0	0	111.3	R527 C528 V530 Q539 C543 V546	R527-L541 CarbonylContact C-O 3.6Å; R527-L541 WeakPolarHBondContact CA-O 3.49Å; R527-L541 WeakPolarHBondContact CB-O 3.3Å; C528-L541 PolarHBondContact N-O 3.17Å; C528-L541 PolarHBondContact O-N 3.22Å; V530-L541 HydrophobicContact CB-CD1 4.18Å; V530-L541 HydrophobicContact CG1-CD1 4.21Å; V530-L541 HydrophobicContact CG2-CB 4.1Å; V530-L541 HydrophobicContact CG2-CD1 4.23Å; V530-L541 HydrophobicContact CG2-CG 4.36Å; Q539-L541 HydrophobicContact CB-CD1 4.2Å; Q539-L541 HydrophobicContact CB-CD2 4.47Å; Q539-L541 HydrophobicContact CB-CG 4.02Å; L541-C543 PolarHBondContact O-N 3.28Å; L541-V546 HydrophobicContact CB-CG2 3.78Å; L541-V546 HydrophobicContact CD1-CG2 3.76Å; L541-V546 HydrophobicContact CG-CG2 4.44Å
542	N	90	Very high	92.7	Very high	39 Å²	39	64 Å²	64	21%	0.209	34%	0.339	C	S	.	.			trans	-64.9	124.4	168.1	170.8	-64.1	0	0	0	108.2	D544 K545	N542-D544 VanDerWaalsContact C-N 3.34Å; N542-D544 PolarHBondContact O-N 2.71Å; N542-D544 PolarHBondContact OD1-N 2.89Å; N542-D544 VanDerWaalsContact OD1-N 3.12Å; N542-K545 HydrophobicContact CB-CB 4.3Å; N542-K545 HydrophobicContact CB-CD 4.1Å; N542-K545 HydrophobicContact CB-CG 4.32Å; N542-K545 PolarHBondContact O-N 2.71Å; N542-K545 WeakPolarHBondContact OD1-CG 3.46Å; N542-K545 PolarHBondContact OD1-N 2.83Å; N542-K545 VanDerWaalsContact OD1-N 3.09Å
543	C	88.6	Confident	92.9	Very high	6 Å²	6	62.9 Å²	62.9	4%	0.041	33%	0.333	C	S	.	.	S	Bend	trans	-63.7	-38.3	-168.8	-160	0	0	0	0	113	F515 C528 L541 V546 K552	F515-C543 HydrophobicContact CE1-CB 3.73Å; F515-C543 HydrophobicContact CZ-CB 4.06Å; C528-C543 HydrophobicContact CB-CB 3.86Å; C528-C543 WeakPolarHBondContact SG-CA 3.45Å; C528-C543 VanDerWaalsContact SG-CB 3.6Å; L541-C543 PolarHBondContact O-N 3.28Å; C543-V546 PolarHBondContact O-N 3.1Å; C543-K552 WeakPolarHBondContact O-CD 3.29Å; C543-K552 WeakPolarHBondContact O-CE 3.42Å; C543-K552 PolarHBondContact O-NZ 3Å
544	D	87.4	Confident	93.2	Very high	134 Å²	134	57.8 Å²	57.8	72%	0.717	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-32.2	-176.4	-52.6	-48	0	0	0	111.8	N542 V546	N542-D544 VanDerWaalsContact C-N 3.34Å; N542-D544 PolarHBondContact O-N 2.71Å; N542-D544 PolarHBondContact OD1-N 2.89Å; N542-D544 VanDerWaalsContact OD1-N 3.12Å; D544-V546 VanDerWaalsContact C-N 3.27Å; D544-V546 PolarHBondContact O-N 2.87Å
545	K	89.6	Confident	93.4	Very high	165 Å²	165	53 Å²	53	72%	0.717	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.6	178.7	-66.5	178.5	-172.6	177.7	0	114.4	N542 P547	N542-K545 HydrophobicContact CB-CB 4.3Å; N542-K545 HydrophobicContact CB-CD 4.1Å; N542-K545 HydrophobicContact CB-CG 4.32Å; N542-K545 PolarHBondContact O-N 2.71Å; N542-K545 WeakPolarHBondContact OD1-CG 3.46Å; N542-K545 PolarHBondContact OD1-N 2.83Å; N542-K545 VanDerWaalsContact OD1-N 3.09Å; K545-P547 WeakPolarHBondContact O-CD 3.41Å
546	V	91.4	Very high	93.6	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	29%	0.286	C	S	.	.			trans	-93.1	111.4	176.5	174.7	0	0	0	0	109.7	V530 L541 C543 D544 K552	V530-V546 HydrophobicContact CG1-CG1 4.17Å; V530-V546 HydrophobicContact CG2-CG2 4.27Å; L541-V546 HydrophobicContact CB-CG2 3.78Å; L541-V546 HydrophobicContact CD1-CG2 3.76Å; L541-V546 HydrophobicContact CG-CG2 4.44Å; C543-V546 PolarHBondContact O-N 3.1Å; D544-V546 VanDerWaalsContact C-N 3.27Å; D544-V546 PolarHBondContact O-N 2.87Å; V546-K552 HydrophobicContact CB-CD 3.88Å; V546-K552 HydrophobicContact CG1-CB 4.21Å; V546-K552 HydrophobicContact CG1-CD 3.94Å; V546-K552 HydrophobicContact CG1-CG 4.46Å; V546-K552 PolarHBondContact O-NZ 3.11Å
547	P	89.6	Confident	93.7	Very high	127 Å²	127	52.6 Å²	52.6	83%	0.825	28%	0.284	S	S	*	.			trans	-75.2	-36.5	-168.7	28.3	-34.8	0	0	0	113.3	K545 A549	K545-P547 WeakPolarHBondContact O-CD 3.41Å; P547-A549 PolarHBondContact O-N 2.82Å
548	N	92.1	Very high	93.7	Very high	65 Å²	65	51.4 Å²	51.4	35%	0.348	28%	0.28	S	S	.	.			trans	-81.3	105.2	-179.8	-176	-12	0	0	0	110.6	K550 Q551	N548-K550 PolarHBondContact O-N 3.37Å; N548-K550 VanDerWaalsContact O-N 3.16Å; N548-K550 WeakPolarHBondContact OD1-CB 3.29Å; N548-K550 PolarHBondContact OD1-N 2.85Å; N548-Q551 HydrophobicContact CB-CB 4.35Å; N548-Q551 HydrophobicContact CB-CG 4.03Å; N548-Q551 PolarHBondContact O-N 3.18Å; N548-Q551 VanDerWaalsContact O-N 3.16Å
549	A	92.3	Very high	93.7	Very high	58 Å²	58	56.1 Å²	56.1	48%	0.479	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.7	179.3	0	0	0	0	0	113.8	P547 T553	P547-A549 PolarHBondContact O-N 2.82Å; A549-T553 WeakPolarHBondContact O-CB 3.42Å; A549-T553 WeakPolarHBondContact O-CG2 3.47Å; A549-T553 PolarHBondContact O-N 3.32Å; A549-T553 PolarHBondContact O-OG1 2.84Å
550	K	93.7	Very high	93.7	Very high	129 Å²	129	58.1 Å²	58.1	56%	0.561	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.6	-179.6	-67.4	-171.2	174.1	-171.7	0	112.8	N548 K552 T553 N564 A566	N548-K550 PolarHBondContact O-N 3.37Å; N548-K550 VanDerWaalsContact O-N 3.16Å; N548-K550 WeakPolarHBondContact OD1-CB 3.29Å; N548-K550 PolarHBondContact OD1-N 2.85Å; K550-K552 VanDerWaalsContact C-N 3.3Å; K550-K552 PolarHBondContact O-N 3.35Å; K550-T553 WeakPolarHBondContact CA-OG1 3.13Å; K550-T553 PolarHBondContact O-N 3.44Å; K550-T553 PolarHBondContact O-OG1 3.2Å; K550-N564 PolarHBondContact O-OD1 3.28Å; K550-A566 HydrophobicContact CB-CB 3.67Å; K550-A566 PolarHBondContact O-N 3.5Å
551	Q	95.2	Very high	93.9	Very high	35 Å²	35	58.4 Å²	58.4	16%	0.164	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-34	179.2	-76	177.9	-30.4	0	0	112.4	V530 D531 Q533 N548 N564 A566	V530-Q551 HydrophobicContact CG1-CB 4.01Å; D531-Q551 PolarHBondContact N-O 3.41Å; D531-Q551 VanDerWaalsContact N-O 3.09Å; D531-Q551 VanDerWaalsContact O-CB 3.25Å; D531-Q551 WeakPolarHBondContact O-CB 3.49Å; D531-Q551 WeakPolarHBondContact O-CG 3.49Å; Q533-Q551 HydrophobicContact CG-CG 4.45Å; N548-Q551 HydrophobicContact CB-CB 4.35Å; N548-Q551 HydrophobicContact CB-CG 4.03Å; N548-Q551 PolarHBondContact O-N 3.18Å; N548-Q551 VanDerWaalsContact O-N 3.16Å; Q551-N564 PolarHBondContact O-ND2 3.14Å; Q551-A566 HydrophobicContact CG-CB 4.07Å
552	K	94.9	Very high	94.2	Very high	26 Å²	26	56 Å²	56	11%	0.113	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	11	-179.5	70.4	-167.8	-170.5	-174.1	0	114.4	V530 C543 V546 K550	V530-K552 HydrophobicContact CG2-CB 4.07Å; C543-K552 WeakPolarHBondContact O-CD 3.29Å; C543-K552 WeakPolarHBondContact O-CE 3.42Å; C543-K552 PolarHBondContact O-NZ 3Å; V546-K552 HydrophobicContact CB-CD 3.88Å; V546-K552 HydrophobicContact CG1-CB 4.21Å; V546-K552 HydrophobicContact CG1-CD 3.94Å; V546-K552 HydrophobicContact CG1-CG 4.46Å; V546-K552 PolarHBondContact O-NZ 3.11Å; K550-K552 VanDerWaalsContact C-N 3.3Å; K550-K552 PolarHBondContact O-N 3.35Å
553	T	97.4	Very high	94.6	Very high	16 Å²	16	57 Å²	57	10%	0.098	31%	0.311	C	S	.	.			trans	-125.1	142.8	177.7	51	0	0	0	0	112.2	G512 Q513 A549 K550 R565	G512-T553 CarbonylContact O-C 3.56Å; G512-T553 WeakPolarHBondContact O-CA 3.38Å; Q513-T553 HydrophobicContact CG-CG2 4.12Å; A549-T553 WeakPolarHBondContact O-CB 3.42Å; A549-T553 WeakPolarHBondContact O-CG2 3.47Å; A549-T553 PolarHBondContact O-N 3.32Å; A549-T553 PolarHBondContact O-OG1 2.84Å; K550-T553 WeakPolarHBondContact CA-OG1 3.13Å; K550-T553 PolarHBondContact O-N 3.44Å; K550-T553 PolarHBondContact O-OG1 3.2Å; T553-R565 WeakPolarHBondContact O-CB 3.36Å; T553-R565 WeakPolarHBondContact O-CG 3.48Å; T553-R565 PolarHBondContact O-N 3.4Å
554	W	98.1	Very high	95	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.6	-171.9	-53.4	83.9	0	0	0	109.5	Y508 G512 V529 D531 I562 I563 N564 R565 L571 L586	Y508-W554 HydrophobicContact CE2-CB 4.46Å; Y508-W554 PolarHBondContact OH-O 3.32Å; G512-W554 WeakPolarHBondContact CA-O 3.21Å; G512-W554 PolarHBondContact O-N 2.85Å; V529-W554 HydrophobicContact CB-CZ2 4.38Å; V529-W554 HydrophobicContact CG1-CH2 4.47Å; V529-W554 HydrophobicContact CG1-CZ2 3.8Å; V529-W554 PolarHBondContact O-NE1 2.98Å; D531-W554 HydrophobicContact CB-CH2 4.15Å; W554-I562 HydrophobicContact CB-CG2 3.76Å; W554-I562 HydrophobicContact CD2-CG2 4.04Å; W554-I562 HydrophobicContact CE3-CG2 3.81Å; W554-I562 HydrophobicContact CG-CG2 4.02Å; W554-I563 CarbonylContact C-O 3.57Å; W554-I563 WeakPolarHBondContact CA-O 3.49Å; W554-N564 HydrophobicContact CD2-CB 4.48Å; W554-N564 HydrophobicContact CE3-CB 3.78Å; W554-N564 HydrophobicContact CH2-CB 3.89Å; W554-N564 VanDerWaalsContact CH2-ND2 3.33Å; W554-N564 WeakPolarHBondContact CH2-ND2 3.46Å; W554-N564 VanDerWaalsContact CZ2-ND2 3.28Å; W554-N564 WeakPolarHBondContact CZ2-ND2 3.37Å; W554-N564 HydrophobicContact CZ3-CB 3.47Å; W554-N564 VanDerWaalsContact CZ3-CB 3.47Å; W554-R565 VanDerWaalsContact O-CZ 3.22Å; W554-R565 PolarHBondContact O-NE 3.37Å; W554-R565 VanDerWaalsContact O-NE 3.13Å; W554-R565 PolarHBondContact O-NH2 2.87Å; W554-L571 HydrophobicContact CE3-CD1 4.32Å; W554-L571 HydrophobicContact CE3-CG 4.35Å; W554-L571 HydrophobicContact CH2-CD2 4.4Å; W554-L571 HydrophobicContact CH2-CG 4.21Å; W554-L571 HydrophobicContact CZ3-CD1 4.25Å; W554-L571 HydrophobicContact CZ3-CG 3.86Å; W554-L586 HydrophobicContact CH2-CD2 3.6Å; W554-L586 HydrophobicContact CZ3-CD2 3.93Å
555	S	97.9	Very high	95.5	Very high	54 Å²	54	55.3 Å²	55.3	38%	0.378	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.4	165.8	-65	0	0	0	0	107.8	I563 R565	S555-I563 PolarHBondContact N-O 2.89Å; S555-I563 PolarHBondContact O-N 2.67Å; S555-R565 PolarHBondContact OG-NE 3.37Å; S555-R565 VanDerWaalsContact OG-NE 3.15Å
556	F	97.8	Very high	95.8	Very high	22 Å²	22	49.2 Å²	49.2	10%	0.096	27%	0.274	C	S	.	.			trans	-153.4	142.9	-175.4	170.1	-116.5	0	0	0	110.7	F469 Y508 I562 W594 I596	F469-F556 AromaticContact CD2-CD1 3.92Å; F469-F556 HydrophobicContact CD2-CD1 3.92Å; F469-F556 AromaticContact CD2-CE1 3.61Å; F469-F556 HydrophobicContact CD2-CE1 3.61Å; F469-F556 HydrophobicContact CE2-CD1 4.02Å; F469-F556 AromaticContact CE2-CE1 3.88Å; F469-F556 HydrophobicContact CE2-CE1 3.88Å; Y508-F556 HydrophobicContact CD1-CD1 4.13Å; Y508-F556 HydrophobicContact CD2-CD1 4.44Å; Y508-F556 HydrophobicContact CE1-CB 4.44Å; Y508-F556 HydrophobicContact CE1-CD1 4.21Å; Y508-F556 HydrophobicContact CE2-CB 4Å; Y508-F556 HydrophobicContact CG-CD1 4.23Å; Y508-F556 PolarHBondContact OH-N 3.24Å; F556-I562 HydrophobicContact CB-CG1 4.17Å; F556-I562 HydrophobicContact CB-CG2 4.37Å; F556-I562 HydrophobicContact CD2-CB 4.38Å; F556-I562 HydrophobicContact CD2-CD1 4.35Å; F556-I562 HydrophobicContact CD2-CG1 3.35Å; F556-I562 HydrophobicContact CE2-CD1 4.49Å; F556-I562 HydrophobicContact CE2-CG1 3.87Å; F556-I562 HydrophobicContact CG-CG1 3.84Å; F556-W594 HydrophobicContact CE2-CB 3.81Å; F556-W594 WeakPolarHBondContact CE2-O 3.19Å; F556-W594 HydrophobicContact CZ-CB 4.46Å; F556-I596 HydrophobicContact CD1-CD1 4.15Å; F556-I596 HydrophobicContact CE1-CB 4.5Å; F556-I596 HydrophobicContact CE1-CD1 3.57Å; F556-I596 HydrophobicContact CE1-CG1 3.74Å; F556-I596 HydrophobicContact CZ-CD1 4.23Å; F556-I596 HydrophobicContact CZ-CG1 3.94Å
557	S	95.8	Very high	96	Very high	57 Å²	57	51.1 Å²	51.1	40%	0.399	29%	0.286	S	S	.	.			trans	-136.3	158	165.9	76.9	0	0	0	0	109.7	N559 D560	S557-N559 PolarHBondContact O-N 2.77Å; S557-D560 WeakPolarHBondContact O-CB 3.47Å; S557-D560 PolarHBondContact O-N 3.45Å; S557-D560 VanDerWaalsContact O-N 3.09Å; S557-D560 WeakPolarHBondContact OG-CB 3.14Å; S557-D560 PolarHBondContact OG-OD2 3.15Å
558	Q	96.3	Very high	96.4	Very high	51 Å²	51	47.1 Å²	47.1	24%	0.238	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	128.7	-174	-70.7	-81.3	20.5	0	0	111.6	F469 I596	F469-Q558 HydrophobicContact CD1-CG 4.05Å; F469-Q558 VanDerWaalsContact CD1-NE2 3.27Å; F469-Q558 HydrophobicContact CE1-CG 3.59Å; F469-Q558 HydrophobicContact CE2-CG 4.18Å; F469-Q558 HydrophobicContact CZ-CG 3.67Å; Q558-I596 PolarHBondContact NE2-O 3.32Å
559	N	96.6	Very high	96.6	Very high	99 Å²	99	46.3 Å²	46.3	53%	0.529	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	27	-171.9	-47.6	-87.3	0	0	0	114.8	S557 K593 W594 T595	S557-N559 PolarHBondContact O-N 2.77Å; N559-K593 WeakPolarHBondContact O-CD 3.46Å; N559-K593 WeakPolarHBondContact O-CE 3.34Å; N559-K593 VanDerWaalsContact O-CG 3.23Å; N559-K593 WeakPolarHBondContact O-CG 3.45Å; N559-W594 WeakPolarHBondContact CA-O 3.34Å; N559-W594 PolarHBondContact N-O 3.47Å; N559-T595 VanDerWaalsContact OD1-CG2 3.22Å; N559-T595 WeakPolarHBondContact OD1-CG2 3.21Å
560	D	97.1	Very high	96.9	Very high	71 Å²	71	43.6 Å²	43.6	38%	0.38	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-124.7	175.8	-179.9	-161.7	3.3	0	0	0	110.9	S557 W594	S557-D560 WeakPolarHBondContact O-CB 3.47Å; S557-D560 PolarHBondContact O-N 3.45Å; S557-D560 VanDerWaalsContact O-N 3.09Å; S557-D560 WeakPolarHBondContact OG-CB 3.14Å; S557-D560 PolarHBondContact OG-OD2 3.15Å; D560-W594 PolarHBondContact O-N 3.4Å
561	S	97.8	Very high	97.1	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.07	21%	0.21	C	C	.	.			trans	-74.9	148.9	173.6	-64.9	0	0	0	0	112.2	Q592	S561-Q592 VanDerWaalsContact CA-O 3.25Å; S561-Q592 WeakPolarHBondContact CA-O 3.15Å; S561-Q592 PolarHBondContact N-O 3.4Å; S561-Q592 PolarHBondContact OG-O 3.12Å
562	I	98.3	Very high	97.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.203	C	C	.	.			trans	-98.4	105.2	171.6	-55.2	164.3	0	0	0	107.8	I473 L514 W554 F556 C570 L571 W594	I473-I562 HydrophobicContact CG2-CD1 4.36Å; L514-I562 HydrophobicContact CD2-CD1 4.41Å; L514-I562 HydrophobicContact CD2-CG2 4.4Å; W554-I562 HydrophobicContact CB-CG2 3.76Å; W554-I562 HydrophobicContact CD2-CG2 4.04Å; W554-I562 HydrophobicContact CE3-CG2 3.81Å; W554-I562 HydrophobicContact CG-CG2 4.02Å; F556-I562 HydrophobicContact CB-CG1 4.17Å; F556-I562 HydrophobicContact CB-CG2 4.37Å; F556-I562 HydrophobicContact CD2-CB 4.38Å; F556-I562 HydrophobicContact CD2-CD1 4.35Å; F556-I562 HydrophobicContact CD2-CG1 3.35Å; F556-I562 HydrophobicContact CE2-CD1 4.49Å; F556-I562 HydrophobicContact CE2-CG1 3.87Å; F556-I562 HydrophobicContact CG-CG1 3.84Å; I562-C570 WeakPolarHBondContact O-CA 3.1Å; I562-L571 HydrophobicContact CB-CB 4.29Å; I562-L571 HydrophobicContact CB-CD1 4.07Å; I562-L571 HydrophobicContact CD1-CD1 4.12Å; I562-L571 HydrophobicContact CG2-CD1 3.74Å; I562-L571 HydrophobicContact CG2-CG 4.5Å; I562-L571 PolarHBondContact O-N 3.29Å; I562-W594 HydrophobicContact CD1-CB 3.65Å; I562-W594 HydrophobicContact CD1-CD2 3.83Å; I562-W594 HydrophobicContact CD1-CE3 4.37Å; I562-W594 HydrophobicContact CD1-CG 3.5Å; I562-W594 VanDerWaalsContact CD1-CG 3.5Å; I562-W594 HydrophobicContact CG1-CB 3.86Å; I562-W594 HydrophobicContact CG1-CG 3.84Å
563	I	98.4	Very high	97.4	Very high	60 Å²	60	34.8 Å²	34.8	31%	0.308	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129	-168.5	-39.1	-179	0	0	0	110.7	W554 S555	W554-I563 CarbonylContact C-O 3.57Å; W554-I563 WeakPolarHBondContact CA-O 3.49Å; S555-I563 PolarHBondContact N-O 2.89Å; S555-I563 PolarHBondContact O-N 2.67Å
564	N	98.3	Very high	97.4	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.1	178.6	-167.1	-90.8	0	0	0	112.5	D531 K550 Q551 W554 A566 T567 G568 R569	D531-N564 HydrophobicContact CB-CB 4.13Å; D531-N564 VanDerWaalsContact CB-CG 3.42Å; D531-N564 VanDerWaalsContact CB-ND2 3.29Å; D531-N564 WeakPolarHBondContact CB-ND2 3.4Å; K550-N564 PolarHBondContact O-OD1 3.28Å; Q551-N564 PolarHBondContact O-ND2 3.14Å; W554-N564 HydrophobicContact CD2-CB 4.48Å; W554-N564 HydrophobicContact CE3-CB 3.78Å; W554-N564 HydrophobicContact CH2-CB 3.89Å; W554-N564 VanDerWaalsContact CH2-ND2 3.33Å; W554-N564 WeakPolarHBondContact CH2-ND2 3.46Å; W554-N564 VanDerWaalsContact CZ2-ND2 3.28Å; W554-N564 WeakPolarHBondContact CZ2-ND2 3.37Å; W554-N564 HydrophobicContact CZ3-CB 3.47Å; W554-N564 VanDerWaalsContact CZ3-CB 3.47Å; N564-A566 VanDerWaalsContact C-N 3.33Å; N564-A566 PolarHBondContact O-N 2.97Å; N564-A566 WeakPolarHBondContact OD1-CB 3.4Å; N564-A566 PolarHBondContact OD1-N 2.97Å; N564-T567 WeakPolarHBondContact CB-OG1 3.47Å; N564-T567 PolarHBondContact OD1-N 3.17Å; N564-G568 WeakPolarHBondContact O-CA 3.47Å; N564-G568 PolarHBondContact O-N 2.81Å; N564-R569 PolarHBondContact N-O 3.05Å
565	R	97.1	Very high	97.2	Very high	101 Å²	101	40.9 Å²	40.9	38%	0.381	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.5	-177	-63.6	-174	-172.7	161.5	6.8	114.8	E511 T553 W554 S555	E511-R565 PolarHBondContact O-NH1 3.3Å; T553-R565 WeakPolarHBondContact O-CB 3.36Å; T553-R565 WeakPolarHBondContact O-CG 3.48Å; T553-R565 PolarHBondContact O-N 3.4Å; W554-R565 VanDerWaalsContact O-CZ 3.22Å; W554-R565 PolarHBondContact O-NE 3.37Å; W554-R565 VanDerWaalsContact O-NE 3.13Å; W554-R565 PolarHBondContact O-NH2 2.87Å; S555-R565 PolarHBondContact OG-NE 3.37Å; S555-R565 VanDerWaalsContact OG-NE 3.15Å
566	A	95.7	Very high	97.1	Very high	36 Å²	36	39.8 Å²	39.8	30%	0.298	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-42	172	0	0	0	0	0	113.1	K550 Q551 N564	K550-A566 HydrophobicContact CB-CB 3.67Å; K550-A566 PolarHBondContact O-N 3.5Å; Q551-A566 HydrophobicContact CG-CB 4.07Å; N564-A566 VanDerWaalsContact C-N 3.33Å; N564-A566 PolarHBondContact O-N 2.97Å; N564-A566 WeakPolarHBondContact OD1-CB 3.4Å; N564-A566 PolarHBondContact OD1-N 2.97Å
567	T	96.3	Very high	96.9	Very high	51 Å²	51	47.1 Å²	47.1	31%	0.313	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-19.1	-167.8	60.9	0	0	0	0	114.7	D531 Q533 N564 R569	D531-T567 HydrophobicContact CB-CG2 4.48Å; D531-T567 VanDerWaalsContact CG-CG2 3.49Å; D531-T567 WeakPolarHBondContact OD2-CB 3.49Å; D531-T567 VanDerWaalsContact OD2-CG2 3.27Å; D531-T567 WeakPolarHBondContact OD2-CG2 3.33Å; D531-T567 PolarHBondContact OD2-OG1 2.96Å; Q533-T567 HydrophobicContact CB-CG2 4.49Å; Q533-T567 HydrophobicContact CG-CG2 3.65Å; N564-T567 WeakPolarHBondContact CB-OG1 3.47Å; N564-T567 PolarHBondContact OD1-N 3.17Å; T567-R569 PolarHBondContact O-N 2.82Å; T567-R569 WeakPolarHBondContact OG1-CB 3.23Å; T567-R569 PolarHBondContact OG1-N 3.12Å; T567-R569 VanDerWaalsContact OG1-N 3.11Å
568	G	96.8	Very high	96.6	Very high	43 Å²	43	47.2 Å²	47.2	44%	0.443	27%	0.27	S	S	.	.			trans	70.5	4.3	-167.8	0	0	0	0	0	114.5	N564	N564-G568 WeakPolarHBondContact O-CA 3.47Å; N564-G568 PolarHBondContact O-N 2.81Å
569	R	97.8	Very high	96.2	Very high	49 Å²	49	54.9 Å²	54.9	19%	0.185	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-69.9	142.9	172.8	-63.2	-162.6	-65.8	173.8	-13.9	110.4	D531 S535 N564 T567 L586 Q587	D531-R569 VanDerWaalsContact CG-NH2 3.29Å; D531-R569 IonicContact OD1-CZ 3.29Å; D531-R569 IonicContact OD1-NE 3.5Å; D531-R569 IonicContact OD1-NH2 3.57Å; D531-R569 PolarHBondContact OD1-NH2 3.09Å; D531-R569 IonicContact OD2-CZ 3.43Å; D531-R569 IonicContact OD2-NE 3.56Å; D531-R569 PolarHBondContact OD2-NE 3.49Å; D531-R569 IonicContact OD2-NH2 3.49Å; D531-R569 PolarHBondContact OD2-NH2 2.94Å; S535-R569 VanDerWaalsContact O-CZ 3.31Å; S535-R569 PolarHBondContact O-NH1 3.05Å; S535-R569 PolarHBondContact O-NH2 3.48Å; N564-R569 PolarHBondContact N-O 3.05Å; T567-R569 PolarHBondContact O-N 2.82Å; T567-R569 WeakPolarHBondContact OG1-CB 3.23Å; T567-R569 PolarHBondContact OG1-N 3.12Å; T567-R569 VanDerWaalsContact OG1-N 3.11Å; R569-L586 HydrophobicContact CB-CB 4.4Å; R569-L586 WeakPolarHBondContact CD-O 3.32Å; R569-L586 VanDerWaalsContact CZ-CB 3.49Å; R569-L586 PolarHBondContact NH1-O 3.49Å; R569-Q587 WeakPolarHBondContact CA-O 3.12Å
570	C	98.3	Very high	95.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	148.9	172.4	-83.5	0	0	0	0	111.8	I562 E572 L586 Q587 C589	I562-C570 WeakPolarHBondContact O-CA 3.1Å; C570-E572 HydrophobicContact CB-CG 3.71Å; C570-E572 PolarHBondContact O-N 3.03Å; C570-L586 WeakPolarHBondContact O-CA 3.35Å; C570-Q587 PolarHBondContact N-O 3.34Å; C570-Q587 PolarHBondContact O-N 2.96Å; C570-C589 HydrophobicContact CB-CB 3.85Å; C570-C589 WeakPolarHBondContact CB-SG 3.23Å; C570-C589 WeakPolarHBondContact SG-CB 3.36Å; C570-C589 CovalentContact SG-SG 2.03Å; C570-C589 PolarHBondContact SG-SG 2.98Å
571	L	98.1	Very high	95.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.5	156	-71.8	167.7	0	0	0	108.4	M483 L514 V529 P538 W554 I562 L584 L586 W594	M483-L571 HydrophobicContact CE-CD1 4Å; L514-L571 HydrophobicContact CD2-CD1 3.83Å; V529-L571 HydrophobicContact CG1-CD1 4.24Å; V529-L571 HydrophobicContact CG1-CD2 4.22Å; P538-L571 HydrophobicContact CB-CD2 3.63Å; P538-L571 HydrophobicContact CG-CD2 3.82Å; W554-L571 HydrophobicContact CE3-CD1 4.32Å; W554-L571 HydrophobicContact CE3-CG 4.35Å; W554-L571 HydrophobicContact CH2-CD2 4.4Å; W554-L571 HydrophobicContact CH2-CG 4.21Å; W554-L571 HydrophobicContact CZ3-CD1 4.25Å; W554-L571 HydrophobicContact CZ3-CG 3.86Å; I562-L571 HydrophobicContact CB-CB 4.29Å; I562-L571 HydrophobicContact CB-CD1 4.07Å; I562-L571 HydrophobicContact CD1-CD1 4.12Å; I562-L571 HydrophobicContact CG2-CD1 3.74Å; I562-L571 HydrophobicContact CG2-CG 4.5Å; I562-L571 PolarHBondContact O-N 3.29Å; L571-L584 HydrophobicContact CD2-CD1 4.43Å; L571-L584 HydrophobicContact CD2-CD2 4.5Å; L571-L584 HydrophobicContact CD2-CG 4.44Å; L571-L586 HydrophobicContact CD2-CD2 3.59Å; L571-L586 HydrophobicContact CG-CD2 4.1Å; L571-W594 HydrophobicContact CB-CZ2 4.2Å; L571-W594 PolarHBondContact O-NE1 3.47Å
572	E	97.9	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.5	-171.4	-71.9	-97.7	142.9	0	0	109.8	C570 V585 Q587 S590 Q592	C570-E572 HydrophobicContact CB-CG 3.71Å; C570-E572 PolarHBondContact O-N 3.03Å; E572-V585 HydrophobicContact CB-CG2 4.21Å; E572-V585 PolarHBondContact N-O 3.44Å; E572-V585 PolarHBondContact O-N 3.38Å; E572-Q587 HydrophobicContact CB-CG 3.73Å; E572-Q587 HydrophobicContact CG-CG 3.66Å; E572-Q587 PolarHBondContact OE2-NE2 3.05Å; E572-Q587 VanDerWaalsContact OE2-NE2 3.08Å; E572-S590 PolarHBondContact OE1-N 3.01Å; E572-S590 PolarHBondContact OE1-OG 3.37Å; E572-S590 WeakPolarHBondContact OE2-CB 3.31Å; E572-S590 PolarHBondContact OE2-OG 3.05Å; E572-Q592 WeakPolarHBondContact OE1-CG 3.46Å; E572-Q592 VanDerWaalsContact OE2-CD 3.31Å; E572-Q592 WeakPolarHBondContact OE2-CG 3.36Å; E572-Q592 PolarHBondContact OE2-NE2 2.99Å
573	V	97.4	Very high	95.6	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.4	170.3	-178.1	0	0	0	0	109.9	N475 V478 L495 H582 L583 L584 Q592 W594	N475-V573 HydrophobicContact CB-CG2 3.86Å; V478-V573 HydrophobicContact CG1-CG1 4.13Å; V478-V573 HydrophobicContact CG2-CB 4.17Å; V478-V573 HydrophobicContact CG2-CG1 3.79Å; V478-V573 HydrophobicContact CG2-CG2 3.9Å; L495-V573 HydrophobicContact CD1-CB 4.39Å; L495-V573 HydrophobicContact CD1-CG1 3.67Å; L495-V573 HydrophobicContact CD1-CG2 3.89Å; L495-V573 HydrophobicContact CD2-CG2 4.38Å; V573-H582 HydrophobicContact CG1-CB 3.81Å; V573-L583 WeakPolarHBondContact CA-O 3.12Å; V573-L584 HydrophobicContact CG2-CD1 4.49Å; V573-Q592 PolarHBondContact O-NE2 3.47Å; V573-W594 HydrophobicContact CG2-CH2 3.78Å; V573-W594 HydrophobicContact CG2-CZ2 3.96Å
574	V	96.8	Very high	95.5	Very high	34 Å²	34	52.6 Å²	52.6	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.7	175.7	-64.8	0	0	0	0	111	H582 L583 V585	V574-H582 CarbonylContact O-C 3.6Å; V574-H582 VanDerWaalsContact O-CA 3.28Å; V574-H582 WeakPolarHBondContact O-CA 3.31Å; V574-L583 HydrophobicContact CG2-CB 4.17Å; V574-L583 PolarHBondContact N-O 3.37Å; V574-L583 PolarHBondContact O-N 3.4Å; V574-V585 HydrophobicContact CB-CG2 4.43Å; V574-V585 HydrophobicContact CG1-CG2 3.78Å; V574-V585 HydrophobicContact CG2-CG1 3.88Å; V574-V585 HydrophobicContact CG2-CG2 3.81Å
575	P	95.9	Very high	95.5	Very high	111 Å²	111	53.1 Å²	53.1	72%	0.721	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	139.7	169.7	-21.3	33.7	0	0	0	111.3	G581	P575-G581 WeakPolarHBondContact CA-O 3.05Å
576	A	94.5	Very high	95.5	Very high	31 Å²	31	48.6 Å²	48.6	26%	0.256	28%	0.275	S	S	.	.			trans	-155.7	153	-178.1	0	0	0	0	0	111.6	V578 G581 L583	A576-V578 HydrophobicContact CB-CG1 4.23Å; A576-V578 HydrophobicContact CB-CG2 4.13Å; A576-V578 PolarHBondContact O-N 3.41Å; A576-G581 PolarHBondContact N-O 3.04Å; A576-G581 CarbonylContact O-C 3.6Å; A576-G581 WeakPolarHBondContact O-CA 3.14Å; A576-G581 VanDerWaalsContact O-O 3.06Å; A576-L583 HydrophobicContact CB-CB 4.22Å; A576-L583 HydrophobicContact CB-CD1 3.58Å; A576-L583 HydrophobicContact CB-CG 3.69Å
577	N	93.2	Very high	95.6	Very high	175 Å²	175	49.8 Å²	49.8	94%	0.936	28%	0.275	S	S	*	.	S	Bend	trans	-77.4	70.8	175.3	-169.9	26.7	0	0	0	111.2
578	V	90.6	Very high	95.6	Very high	59 Å²	59	52.6 Å²	52.6	36%	0.358	29%	0.294	S	S	.	.	S	Bend	trans	-135.1	169.5	-179.5	-59.9	0	0	0	0	110.2	A576 F580 G581 H582 L583	A576-V578 HydrophobicContact CB-CG1 4.23Å; A576-V578 HydrophobicContact CB-CG2 4.13Å; A576-V578 PolarHBondContact O-N 3.41Å; V578-F580 VanDerWaalsContact C-N 3.25Å; V578-F580 PolarHBondContact O-N 3.33Å; V578-G581 PolarHBondContact O-N 3.49Å; V578-H582 VanDerWaalsContact CG2-O 3.28Å; V578-H582 WeakPolarHBondContact CG2-O 3.43Å; V578-L583 HydrophobicContact CG1-CD1 4.17Å; V578-L583 HydrophobicContact CG1-CD2 4.11Å; V578-L583 HydrophobicContact CG1-CG 4.08Å; V578-L583 HydrophobicContact CG2-CD2 4.28Å; V578-L583 HydrophobicContact CG2-CG 4.12Å
579	Y	87.4	Confident	95.7	Very high	213 Å²	213	53.3 Å²	53.3	84%	0.835	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.7	-168.4	-161.6	-88.5	0	0	0	115.3
580	F	90.9	Very high	95.6	Very high	63 Å²	63	54.1 Å²	54.1	28%	0.276	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	17.6	175.8	-54.1	-62.2	0	0	0	113.7	L481 L495 H496 P497 V578 H582	L481-F580 HydrophobicContact CD1-CB 4.3Å; L481-F580 HydrophobicContact CD2-CB 4.15Å; L495-F580 VanDerWaalsContact O-CD2 3.28Å; L495-F580 WeakPolarHBondContact O-CD2 3.31Å; H496-F580 HydrophobicContact CB-CE2 4.44Å; H496-F580 AromaticContact CE1-CE2 3.77Å; H496-F580 AromaticContact CG-CE2 3.81Å; H496-F580 AromaticContact ND1-CE2 3.58Å; H496-F580 AromaticContact ND1-CZ 3.83Å; P497-F580 VanDerWaalsContact CD-CE1 3.41Å; P497-F580 HydrophobicContact CG-CD1 3.9Å; P497-F580 HydrophobicContact CG-CE1 3.61Å; P497-F580 HydrophobicContact CG-CZ 4.22Å; V578-F580 VanDerWaalsContact C-N 3.25Å; V578-F580 PolarHBondContact O-N 3.33Å; F580-H582 PolarHBondContact O-N 3.12Å; F580-H582 PolarHBondContact O-ND1 3Å; F580-H582 VanDerWaalsContact O-ND1 3.09Å
581	G	93.6	Very high	95.4	Very high	31 Å²	31	56.5 Å²	56.5	32%	0.32	33%	0.329	S	S	.	.	S	Bend	trans	68.1	-1	177.5	0	0	0	0	0	116.2	P575 A576 V578	P575-G581 WeakPolarHBondContact CA-O 3.05Å; A576-G581 PolarHBondContact N-O 3.04Å; A576-G581 CarbonylContact O-C 3.6Å; A576-G581 WeakPolarHBondContact O-CA 3.14Å; A576-G581 VanDerWaalsContact O-O 3.06Å; V578-G581 PolarHBondContact O-N 3.49Å
582	H	96.6	Very high	95.4	Very high	49 Å²	49	56.6 Å²	56.6	23%	0.227	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.1	-171.3	-62	89.4	0	0	0	112.3	L481 L495 V573 V574 V578 F580	L481-H582 HydrophobicContact CD1-CB 3.99Å; L495-H582 HydrophobicContact CD1-CB 3.97Å; V573-H582 HydrophobicContact CG1-CB 3.81Å; V574-H582 CarbonylContact O-C 3.6Å; V574-H582 VanDerWaalsContact O-CA 3.28Å; V574-H582 WeakPolarHBondContact O-CA 3.31Å; V578-H582 VanDerWaalsContact CG2-O 3.28Å; V578-H582 WeakPolarHBondContact CG2-O 3.43Å; F580-H582 PolarHBondContact O-N 3.12Å; F580-H582 PolarHBondContact O-ND1 3Å; F580-H582 VanDerWaalsContact O-ND1 3.09Å
583	L	95.6	Very high	95.4	Very high	47 Å²	47	62.1 Å²	62.1	25%	0.246	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.9	172.1	-76.5	170.5	0	0	0	111.2	F537 V573 V574 A576 V578 V585	F537-L583 HydrophobicContact CE1-CD1 4.15Å; F537-L583 HydrophobicContact CE1-CD2 4.23Å; V573-L583 WeakPolarHBondContact CA-O 3.12Å; V574-L583 HydrophobicContact CG2-CB 4.17Å; V574-L583 PolarHBondContact N-O 3.37Å; V574-L583 PolarHBondContact O-N 3.4Å; A576-L583 HydrophobicContact CB-CB 4.22Å; A576-L583 HydrophobicContact CB-CD1 3.58Å; A576-L583 HydrophobicContact CB-CG 3.69Å; V578-L583 HydrophobicContact CG1-CD1 4.17Å; V578-L583 HydrophobicContact CG1-CD2 4.11Å; V578-L583 HydrophobicContact CG1-CG 4.08Å; V578-L583 HydrophobicContact CG2-CD2 4.28Å; V578-L583 HydrophobicContact CG2-CG 4.12Å; L583-V585 HydrophobicContact CB-CG1 4.21Å
584	L	97.3	Very high	95.4	Very high	2 Å²	2	62 Å²	62	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.9	166.5	-175	68.1	0	0	0	109.2	M483 A493 L495 P538 L571 V573 W594	M483-L584 HydrophobicContact CE-CD1 4.19Å; M483-L584 HydrophobicContact CE-CD2 4.19Å; M483-L584 HydrophobicContact CG-CD2 3.74Å; M483-L584 HydrophobicContact SD-CD2 4.1Å; A493-L584 HydrophobicContact CB-CD2 3.95Å; L495-L584 HydrophobicContact CD1-CB 4.5Å; L495-L584 HydrophobicContact CG-CB 4.12Å; P538-L584 HydrophobicContact CG-CD2 3.57Å; P538-L584 HydrophobicContact CG-CG 3.77Å; L571-L584 HydrophobicContact CD2-CD1 4.43Å; L571-L584 HydrophobicContact CD2-CD2 4.5Å; L571-L584 HydrophobicContact CD2-CG 4.44Å; V573-L584 HydrophobicContact CG2-CD1 4.49Å; L584-W594 HydrophobicContact CD1-CH2 3.55Å; L584-W594 HydrophobicContact CD1-CZ2 3.75Å
585	V	97.4	Very high	95.5	Very high	15 Å²	15	62.5 Å²	62.5	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	163	-174.1	-63	0	0	0	0	112.7	S536 F537 E572 V574 L583 Q587	S536-V585 CarbonylContact O-C 3.59Å; S536-V585 VanDerWaalsContact O-CA 3.31Å; S536-V585 WeakPolarHBondContact O-CA 3.5Å; F537-V585 HydrophobicContact CD1-CG1 4.44Å; F537-V585 HydrophobicContact CE1-CG1 4.29Å; E572-V585 HydrophobicContact CB-CG2 4.21Å; E572-V585 PolarHBondContact N-O 3.44Å; E572-V585 PolarHBondContact O-N 3.38Å; V574-V585 HydrophobicContact CB-CG2 4.43Å; V574-V585 HydrophobicContact CG1-CG2 3.78Å; V574-V585 HydrophobicContact CG2-CG1 3.88Å; V574-V585 HydrophobicContact CG2-CG2 3.81Å; L583-V585 HydrophobicContact CB-CG1 4.21Å; V585-Q587 HydrophobicContact CG2-CG 4.16Å
586	L	98.2	Very high	95.5	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	104.1	173	-66.5	178.6	0	0	0	110	D531 S536 P538 W554 R569 C570 L571	D531-L586 HydrophobicContact CB-CD1 3.94Å; S536-L586 PolarHBondContact O-N 3.27Å; P538-L586 HydrophobicContact CB-CD1 4.25Å; P538-L586 HydrophobicContact CB-CD2 4.29Å; P538-L586 HydrophobicContact CB-CG 4.15Å; W554-L586 HydrophobicContact CH2-CD2 3.6Å; W554-L586 HydrophobicContact CZ3-CD2 3.93Å; R569-L586 HydrophobicContact CB-CB 4.4Å; R569-L586 WeakPolarHBondContact CD-O 3.32Å; R569-L586 VanDerWaalsContact CZ-CB 3.49Å; R569-L586 PolarHBondContact NH1-O 3.49Å; C570-L586 WeakPolarHBondContact O-CA 3.35Å; L571-L586 HydrophobicContact CD2-CD2 3.59Å; L571-L586 HydrophobicContact CG-CD2 4.1Å
587	Q	96.9	Very high	95.5	Very high	61 Å²	61	61 Å²	61	29%	0.285	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	174.5	-175.4	68.7	178.7	12.1	0	0	111.1	R569 C570 E572 V585	R569-Q587 WeakPolarHBondContact CA-O 3.12Å; C570-Q587 PolarHBondContact N-O 3.34Å; C570-Q587 PolarHBondContact O-N 2.96Å; E572-Q587 HydrophobicContact CB-CG 3.73Å; E572-Q587 HydrophobicContact CG-CG 3.66Å; E572-Q587 PolarHBondContact OE2-NE2 3.05Å; E572-Q587 VanDerWaalsContact OE2-NE2 3.08Å; V585-Q587 HydrophobicContact CG2-CG 4.16Å
588	P	97.4	Very high	95.6	Very high	110 Å²	110	53.2 Å²	53.2	71%	0.714	29%	0.291	S	S	*	.	S	Bend	trans	-56.4	139.8	170.6	-24.9	36.1	0	0	0	111.9	S590	P588-S590 PolarHBondContact O-N 3Å
589	C	97.2	Very high	95.7	Very high	58 Å²	58	54.1 Å²	54.1	39%	0.392	30%	0.297	S	S	.	.			trans	-63.3	123.5	-173.6	-57.5	0	0	0	0	112.7	C570	C570-C589 HydrophobicContact CB-CB 3.85Å; C570-C589 WeakPolarHBondContact CB-SG 3.23Å; C570-C589 WeakPolarHBondContact SG-CB 3.36Å; C570-C589 CovalentContact SG-SG 2.03Å; C570-C589 PolarHBondContact SG-SG 2.98Å
590	S	96.6	Very high	95.7	Very high	67 Å²	67	44.9 Å²	44.9	47%	0.469	26%	0.262	S	S	.	.			trans	-99.5	14.5	173.6	76.2	0	0	0	0	113.3	K477 E572 P588 Q592	K477-S590 PolarHBondContact NZ-OG 3.27Å; E572-S590 PolarHBondContact OE1-N 3.01Å; E572-S590 PolarHBondContact OE1-OG 3.37Å; E572-S590 WeakPolarHBondContact OE2-CB 3.31Å; E572-S590 PolarHBondContact OE2-OG 3.05Å; P588-S590 PolarHBondContact O-N 3Å; S590-Q592 WeakPolarHBondContact OG-CG 3.3Å
591	G	94.9	Very high	94.8	Very high	50 Å²	50	48.5 Å²	48.5	52%	0.515	28%	0.277	S	S	.	.			trans	75	26.2	-177.3	0	0	0	0	0	113.6
592	Q	97.1	Very high	93	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	31%	0.31	C	S	.	.			trans	-65.7	138.6	174.6	-61.8	-162.3	30	0	0	111.1	N475 K477 S561 E572 V573 S590	N475-Q592 PolarHBondContact ND2-OE1 2.68Å; N475-Q592 PolarHBondContact OD1-OE1 2.92Å; K477-Q592 HydrophobicContact CD-CG 4.1Å; S561-Q592 VanDerWaalsContact CA-O 3.25Å; S561-Q592 WeakPolarHBondContact CA-O 3.15Å; S561-Q592 PolarHBondContact N-O 3.4Å; S561-Q592 PolarHBondContact OG-O 3.12Å; E572-Q592 WeakPolarHBondContact OE1-CG 3.46Å; E572-Q592 VanDerWaalsContact OE2-CD 3.31Å; E572-Q592 WeakPolarHBondContact OE2-CG 3.36Å; E572-Q592 PolarHBondContact OE2-NE2 2.99Å; V573-Q592 PolarHBondContact O-NE2 3.47Å; S590-Q592 WeakPolarHBondContact OG-CG 3.3Å
593	K	97.9	Very high	92.8	Very high	116 Å²	116	57.7 Å²	57.7	50%	0.504	31%	0.314	S	S	.	.			trans	-105.6	128.1	-177	-63	-173.9	165.9	-165.2	0	109.8	S476 N559	S476-K593 PolarHBondContact N-O 3.02Å; S476-K593 PolarHBondContact OG-O 3.48Å; N559-K593 WeakPolarHBondContact O-CD 3.46Å; N559-K593 WeakPolarHBondContact O-CE 3.34Å; N559-K593 VanDerWaalsContact O-CG 3.23Å; N559-K593 WeakPolarHBondContact O-CG 3.45Å
594	W	98.1	Very high	92.6	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148	176.9	-67.7	91	0	0	0	110.7	I473 R474 N475 M483 F556 N559 D560 I562 L571 V573 L584	I473-W594 HydrophobicContact CG2-CE3 3.7Å; I473-W594 HydrophobicContact CG2-CZ3 4.08Å; R474-W594 VanDerWaalsContact C-CE3 3.48Å; R474-W594 WeakPolarHBondContact O-CA 3.22Å; R474-W594 VanDerWaalsContact O-CE3 3.32Å; N475-W594 HydrophobicContact CB-CD2 4.15Å; N475-W594 HydrophobicContact CB-CE3 3.82Å; N475-W594 HydrophobicContact CB-CH2 3.78Å; N475-W594 HydrophobicContact CB-CZ2 4.11Å; N475-W594 HydrophobicContact CB-CZ3 3.64Å; N475-W594 VanDerWaalsContact ND2-CZ2 3.26Å; N475-W594 WeakPolarHBondContact ND2-CZ2 3.36Å; M483-W594 HydrophobicContact CE-CE3 4.02Å; M483-W594 HydrophobicContact CE-CH2 3.6Å; M483-W594 HydrophobicContact CE-CZ2 4.17Å; M483-W594 HydrophobicContact CE-CZ3 3.5Å; M483-W594 VanDerWaalsContact CE-CZ3 3.5Å; F556-W594 HydrophobicContact CE2-CB 3.81Å; F556-W594 WeakPolarHBondContact CE2-O 3.19Å; F556-W594 HydrophobicContact CZ-CB 4.46Å; N559-W594 WeakPolarHBondContact CA-O 3.34Å; N559-W594 PolarHBondContact N-O 3.47Å; D560-W594 PolarHBondContact O-N 3.4Å; I562-W594 HydrophobicContact CD1-CB 3.65Å; I562-W594 HydrophobicContact CD1-CD2 3.83Å; I562-W594 HydrophobicContact CD1-CE3 4.37Å; I562-W594 HydrophobicContact CD1-CG 3.5Å; I562-W594 VanDerWaalsContact CD1-CG 3.5Å; I562-W594 HydrophobicContact CG1-CB 3.86Å; I562-W594 HydrophobicContact CG1-CG 3.84Å; L571-W594 HydrophobicContact CB-CZ2 4.2Å; L571-W594 PolarHBondContact O-NE1 3.47Å; V573-W594 HydrophobicContact CG2-CH2 3.78Å; V573-W594 HydrophobicContact CG2-CZ2 3.96Å; L584-W594 HydrophobicContact CD1-CH2 3.55Å; L584-W594 HydrophobicContact CD1-CZ2 3.75Å
595	T	97.5	Very high	92.4	Very high	46 Å²	46	61.4 Å²	61.4	28%	0.282	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.1	169.4	54.4	0	0	0	0	109.8	I473 R474 N559	I473-T595 WeakPolarHBondContact CA-O 3.46Å; R474-T595 PolarHBondContact N-O 2.81Å; R474-T595 PolarHBondContact O-N 3.01Å; N559-T595 VanDerWaalsContact OD1-CG2 3.22Å; N559-T595 WeakPolarHBondContact OD1-CG2 3.21Å
596	I	96.6	Very high	92.1	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.1	172.7	-57.1	-174.5	0	0	0	107	F469 Y470 E472 I473 L514 F556 Q558 N598	F469-I596 HydrophobicContact CB-CB 3.75Å; F469-I596 HydrophobicContact CB-CD1 4.19Å; F469-I596 HydrophobicContact CB-CG1 4.49Å; F469-I596 HydrophobicContact CB-CG2 3.7Å; Y470-I596 WeakPolarHBondContact O-CG2 3.16Å; E472-I596 WeakPolarHBondContact O-CA 3.41Å; I473-I596 HydrophobicContact CB-CG1 4.48Å; I473-I596 HydrophobicContact CG1-CD1 4.25Å; I473-I596 HydrophobicContact CG1-CG1 4.09Å; I473-I596 HydrophobicContact CG2-CG1 4.21Å; L514-I596 HydrophobicContact CD1-CD1 4.05Å; F556-I596 HydrophobicContact CD1-CD1 4.15Å; F556-I596 HydrophobicContact CE1-CB 4.5Å; F556-I596 HydrophobicContact CE1-CD1 3.57Å; F556-I596 HydrophobicContact CE1-CG1 3.74Å; F556-I596 HydrophobicContact CZ-CD1 4.23Å; F556-I596 HydrophobicContact CZ-CG1 3.94Å; Q558-I596 PolarHBondContact NE2-O 3.32Å; I596-N598 PolarHBondContact O-N 3.2Å; I596-N598 VanDerWaalsContact O-N 3.14Å
597	K	94.6	Very high	91.7	Very high	107 Å²	107	67.8 Å²	67.8	47%	0.465	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.2	-48.8	-161.8	-174.5	-177.5	-176.2	178.1	0	115.8	E472	E472-K597 HydrophobicContact CB-CB 4.21Å; E472-K597 HydrophobicContact CB-CD 4.28Å; E472-K597 HydrophobicContact CG-CD 4.32Å; E472-K597 PolarHBondContact O-N 3.44Å; E472-K597 WeakPolarHBondContact OE1-CD 3.49Å; E472-K597 WeakPolarHBondContact OE1-CE 3.37Å; E472-K597 IonicContact OE1-NZ 2.68Å; E472-K597 PolarHBondContact OE1-NZ 3.15Å
598	N	94.5	Very high	91.3	Very high	13 Å²	13	68.2 Å²	68.2	7%	0.07	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.4	-175.2	-54.1	-56.3	0	0	0	110.9	N422 F469 Y470 I596	N422-N598 PolarHBondContact OD1-ND2 3.29Å; F469-N598 CarbonylContact C-O 3.56Å; F469-N598 VanDerWaalsContact CA-O 3.31Å; F469-N598 WeakPolarHBondContact CA-O 3.42Å; Y470-N598 HydrophobicContact CD1-CB 3.86Å; Y470-N598 HydrophobicContact CD2-CB 3.77Å; Y470-N598 HydrophobicContact CE1-CB 3.55Å; Y470-N598 HydrophobicContact CE2-CB 3.47Å; Y470-N598 VanDerWaalsContact CE2-CB 3.47Å; Y470-N598 WeakPolarHBondContact CE2-ND2 3.37Å; Y470-N598 HydrophobicContact CG-CB 3.96Å; Y470-N598 PolarHBondContact N-O 3.06Å; Y470-N598 WeakPolarHBondContact O-CB 3.4Å; Y470-N598 PolarHBondContact O-N 3.35Å; I596-N598 PolarHBondContact O-N 3.2Å; I596-N598 VanDerWaalsContact O-N 3.14Å
599	T	92.6	Very high	90.9	Very high	78 Å²	78	65.2 Å²	65.2	48%	0.479	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.6	174.4	-62	0	0	0	0	109.6	F469	F469-T599 HydrophobicContact CD1-CG2 3.85Å; F469-T599 WeakPolarHBondContact CD1-OG1 3.39Å; F469-T599 HydrophobicContact CE1-CG2 3.79Å
600	M	88.9	Confident	90.4	Very high	19 Å²	19	65.8 Å²	65.8	9%	0.094	35%	0.347	C	S	.	.			trans	-73.8	127.4	168.6	-61.8	-69.8	-78.4	0	0	108.5	T467 V468 Y470	T467-M600 HydrophobicContact CG2-CG 3.81Å; T467-M600 HydrophobicContact CG2-SD 4.42Å; V468-M600 PolarHBondContact O-N 3.02Å; Y470-M600 HydrophobicContact CD1-CG 3.87Å; Y470-M600 HydrophobicContact CD1-SD 3.71Å; Y470-M600 HydrophobicContact CE1-CG 3.87Å; Y470-M600 HydrophobicContact CE1-SD 3.35Å; Y470-M600 WeakPolarHBondContact CE1-SD 3.41Å
601	K	72.3	Confident	89.9	Confident	139 Å²	139	65.7 Å²	65.7	60%	0.604	34%	0.337	S	S	*	.			trans	-66.1	143.8	159.9	-70.7	-168.6	178.5	-178.3	0	108.5	E426	E426-K601 WeakPolarHBondContact OE1-CE 3.45Å; E426-K601 IonicContact OE1-NZ 3.45Å; E426-K601 PolarHBondContact OE1-NZ 2.84Å; E426-K601 WeakPolarHBondContact OE2-CE 3.38Å; E426-K601 IonicContact OE2-NZ 2.64Å; E426-K601 PolarHBondContact OE2-NZ 3.19Å
602	Q	54.1	Low	89.5	Confident	215 Å²	215	67.1 Å²	67.1	100%	1.005	32%	0.321	S	S	*	.			trans	-97.9	0	173.1	-61.3	-171.2	18.7	0	0	109.8

Retrieved 602 of 602 residues in 263.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).