A0A087XHB2_POEFO Loading...

DNA polymerase lambda

DNA polymerase that functions in several pathways of DNA repair. Involved in base excision repair (BER) responsible for repair of lesions that give rise to abasic (AP) sites in DNA. Also contributes to DNA double-strand break repair by non-homologous end joining and homologous recombination. Has both template-dependent and template-independent (terminal transferase) DNA polymerase activities. Also has a 5'-deoxyribose-5-phosphate lyase (dRP lyase) activity.

AlphaFold DB , UniProt , Accession A0A087XHB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 573 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	27.1	Very low	32.7	Very low	249 Å²	249	166.5 Å²	166.5	100%	1.227	86%	0.858	S	S	*	*				0	123.9	0	-73.5	-177.7	-174.7	0	0	107.7
2	E	34.7	Very low	32.6	Very low	187 Å²	187	162.4 Å²	162.4	87%	0.874	85%	0.85	S	S	*	*			trans	-61.6	-178.4	168.2	-66.2	-172.2	143.1	0	0	111.9
3	P	47.4	Very low	32.4	Very low	101 Å²	101	165.8 Å²	165.8	66%	0.656	85%	0.854	S	S	*	*			cis	-135.1	170.7	-1	24.6	-0.6	0	0	0	114.8
4	R	30.4	Very low	32.4	Very low	251 Å²	251	164.3 Å²	164.3	95%	0.947	86%	0.855	S	S	*	*			trans	-140.5	119.8	153.9	-78.6	-167.2	175.8	175.9	-1	112.1
5	H	36.1	Very low	32.2	Very low	187 Å²	187	166.8 Å²	166.8	87%	0.866	86%	0.857	S	S	*	*			trans	-87	141.4	167.8	-88.1	64.3	0	0	0	111.4
6	G	29.4	Very low	32.1	Very low	70 Å²	70	171.7 Å²	171.7	72%	0.722	86%	0.861	S	S	*	*			trans	66.3	128.7	136	0	0	0	0	0	121.3
7	I	30.5	Very low	32	Very low	171 Å²	171	167.5 Å²	167.5	88%	0.877	86%	0.859	S	S	*	*			trans	-167.6	138.3	135	-92.4	148.6	0	0	0	110.4
8	V	30.6	Very low	31.8	Very low	129 Å²	129	166.2 Å²	166.2	78%	0.782	85%	0.854	S	S	*	*			trans	-80.7	147.6	177.4	179	0	0	0	0	111.9
9	K	32	Very low	31.8	Very low	187 Å²	187	165.4 Å²	165.4	81%	0.813	86%	0.858	S	S	*	*			trans	-177.7	107.5	148.5	-100.5	160.8	-173.2	-175.8	0	109.5
10	A	29.3	Very low	31.9	Very low	93 Å²	93	164.6 Å²	164.6	77%	0.769	85%	0.853	S	S	*	*				65.3	105	87.3	0	0	0	0	0	114.3
11	F	31.8	Very low	31.8	Very low	206 Å²	206	166.5 Å²	166.5	90%	0.904	86%	0.858	S	S	*	*			trans	-109.9	142.8	166.9	-81.5	-81.8	0	0	0	111.1
12	P	32.4	Very low	32	Very low	118 Å²	118	158.1 Å²	158.1	77%	0.766	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-87.7	145.4	-165.2	33.8	-33.5	0	0	0	114.2
13	K	29.3	Very low	31.9	Very low	207 Å²	207	158.4 Å²	158.4	90%	0.9	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74.4	125.4	172.4	-69.2	178.8	176.6	177.6	0	110.9
14	V	32.5	Very low	31.7	Very low	144 Å²	144	160.7 Å²	160.7	87%	0.873	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-84	126.7	169.3	178.1	0	0	0	0	109.9
15	K	29.6	Very low	32	Very low	202 Å²	202	154.6 Å²	154.6	88%	0.878	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.6	131.4	-179.6	-68.6	175.6	176.1	177.1	0	111.1
16	R	30.5	Very low	32.1	Very low	245 Å²	245	150.7 Å²	150.7	93%	0.925	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.8	139.2	157.9	-85.8	-177.6	173.1	177	-2.3	109.3
17	A	29.6	Very low	32.2	Very low	100 Å²	100	153.5 Å²	153.5	83%	0.826	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.6	135.4	-176.7	0	0	0	0	0	112.1
18	N	29.7	Very low	32.3	Very low	145 Å²	145	153 Å²	153	78%	0.775	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-86	129.8	169.5	-83.6	-21.9	0	0	0	109.7
19	V	31	Very low	32.5	Very low	151 Å²	151	156 Å²	156	92%	0.915	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-101.1	119.3	153.9	175.4	0	0	0	0	106.2
20	L	34.6	Very low	32.5	Very low	148 Å²	148	157.1 Å²	157.1	78%	0.775	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-97.3	130.2	-179.3	-82.9	160.9	0	0	0	110.4
21	Q	30.1	Very low	32.4	Very low	205 Å²	205	162.1 Å²	162.1	96%	0.958	84%	0.838	S	S	*	*			trans	-174	126.8	147.2	-98.3	175.5	27.3	0	0	105.5
22	G	30.1	Very low	32.5	Very low	74 Å²	74	158.6 Å²	158.6	76%	0.763	83%	0.834	S	S	*	*			cis	-172.9	143.3	-5.3	0	0	0	0	0	108.9
23	K	32.8	Very low	32.8	Very low	192 Å²	192	159.9 Å²	159.9	84%	0.835	83%	0.83	S	S	*	*			trans	46.7	120.2	154.4	-66.8	-173.2	175.2	-177	0	123.2
24	D	43.8	Very low	33.5	Very low	149 Å²	149	159.1 Å²	159.1	80%	0.797	83%	0.829	S	S	*	*			trans	60.7	86.2	133.8	-58.6	-38.1	0	0	0	120.3
25	V	35.5	Very low	34.5	Very low	124 Å²	124	155.3 Å²	155.3	75%	0.752	80%	0.802	S	S	*	*			trans	-141.4	132.9	149.5	-173.9	0	0	0	0	108.6
26	P	39.4	Very low	35.8	Very low	105 Å²	105	152.4 Å²	152.4	68%	0.682	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-62.3	154.9	176.6	-14.4	27.3	0	0	0	111.3	L28	P26-L28 PolarHBondContact O-N 3.14Å
27	P	31.9	Very low	37.6	Very low	128 Å²	128	145.4 Å²	145.4	83%	0.831	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-62.5	117.6	177.2	-7.7	20.8	0	0	0	109.5	K29	P27-K29 PolarHBondContact O-N 3.06Å; P27-K29 VanDerWaalsContact O-N 3.14Å
28	L	32.4	Very low	39.6	Very low	162 Å²	162	145.8 Å²	145.8	85%	0.848	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-55.6	116.8	169.7	-90.9	136.3	0	0	0	109.1	P26 K30	P26-L28 PolarHBondContact O-N 3.14Å; L28-K30 PolarHBondContact O-N 3.28Å
29	K	35.3	Very low	41.8	Very low	192 Å²	192	139.8 Å²	139.8	84%	0.835	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-50.1	126.5	162	-72.3	178.7	176.7	179.2	0	107.7	P27 K31	P27-K29 PolarHBondContact O-N 3.06Å; P27-K29 VanDerWaalsContact O-N 3.14Å; K29-K31 PolarHBondContact O-N 2.97Å
30	K	31	Very low	44.3	Very low	209 Å²	209	138.6 Å²	138.6	91%	0.909	73%	0.734	S	S	*	*			trans	-54	110.9	165.6	-91.5	-178.1	173	-179.3	0	107.3	L28 T32	L28-K30 PolarHBondContact O-N 3.28Å; K30-T32 PolarHBondContact O-N 3.38Å
31	K	28.2	Very low	46.7	Very low	198 Å²	198	133.3 Å²	133.3	86%	0.861	70%	0.704	S	S	*	*			trans	-60.8	126.2	165.7	-85	-176.2	170.7	-173.9	0	107.4	K29 E33	K29-K31 PolarHBondContact O-N 2.97Å; K31-E33 PolarHBondContact O-N 3.33Å
32	T	33.8	Very low	49.6	Very low	132 Å²	132	123.6 Å²	123.6	81%	0.81	66%	0.659	S	S	*	*			trans	-54.7	123.3	158.6	-35	0	0	0	0	106.5	K30 E34	K30-T32 PolarHBondContact O-N 3.38Å; T32-E34 PolarHBondContact O-N 3.13Å
33	E	37.5	Very low	52.2	Low	146 Å²	146	126.3 Å²	126.3	68%	0.682	66%	0.656	S	S	*	*			trans	-61.8	109.8	170.2	-71.4	-177.1	173	0	0	107.1	K31 H35	K31-E33 PolarHBondContact O-N 3.33Å; E33-H35 PolarHBondContact O-N 3.19Å; E33-H35 VanDerWaalsContact O-N 3.11Å; E33-H35 IonicContact OE2-CE1 2.77Å; E33-H35 PolarHBondContact OE2-CE1 3.09Å
34	E	43.8	Very low	54.6	Low	190 Å²	190	120.1 Å²	120.1	89%	0.888	65%	0.647	S	S	*	*			trans	-66.5	105.9	164.5	-78.4	176.9	165.3	0	0	106.4	T32	T32-E34 PolarHBondContact O-N 3.13Å
35	H	53.3	Low	56.8	Low	64 Å²	64	113.7 Å²	113.7	30%	0.296	61%	0.613	S	S	.	*			trans	-76.9	119	171.4	-67.9	-45.8	0	0	0	108	E33 V37	E33-H35 PolarHBondContact O-N 3.19Å; E33-H35 VanDerWaalsContact O-N 3.11Å; E33-H35 IonicContact OE2-CE1 2.77Å; E33-H35 PolarHBondContact OE2-CE1 3.09Å; H35-V37 PolarHBondContact O-N 2.93Å
36	D	56.9	Low	59.5	Low	141 Å²	141	108.3 Å²	108.3	75%	0.754	58%	0.58	S	S	*	*			trans	-54	121.3	172.1	-88.6	-29.4	0	0	0	109.6	T38	D36-T38 PolarHBondContact O-N 3.3Å
37	V	68.9	Low	62	Low	98 Å²	98	103.3 Å²	103.3	59%	0.594	55%	0.548	S	S	*	.			trans	-75.5	111.7	175.5	179.9	0	0	0	0	107.6	H35 G39	H35-V37 PolarHBondContact O-N 2.93Å; V37-G39 WeakPolarHBondContact CG1-O 3.37Å
38	T	72.2	Confident	64.9	Low	109 Å²	109	98.7 Å²	98.7	67%	0.669	51%	0.514	S	S	*	.			trans	-101	-11.1	-176	52.3	0	0	0	0	113.8	D36 Q68	D36-T38 PolarHBondContact O-N 3.3Å; T38-Q68 PolarHBondContact N-O 3.11Å; T38-Q68 PolarHBondContact OG1-O 3.1Å
39	G	74.8	Confident	67.6	Low	19 Å²	19	91.3 Å²	91.3	20%	0.196	48%	0.475	C	S	.	.			trans	-151.6	168	177.7	0	0	0	0	0	111.6	V37 Q68 N69 G70	V37-G39 WeakPolarHBondContact CG1-O 3.37Å; G39-Q68 PolarHBondContact N-O 3.2Å; G39-Q68 VanDerWaalsContact N-O 3.1Å; G39-N69 CarbonylContact O-C 3.55Å; G39-N69 WeakPolarHBondContact O-CA 3.42Å; G39-G70 PolarHBondContact O-N 3.4Å
40	D	84.4	Confident	70.2	Confident	126 Å²	126	82.5 Å²	82.5	67%	0.674	44%	0.437	S	S	*	.			trans	-128.9	3.5	-171.8	62.2	-12.3	0	0	0	114	F42 N43 N69	D40-F42 VanDerWaalsContact C-N 3.26Å; D40-F42 PolarHBondContact O-N 2.67Å; D40-N43 WeakPolarHBondContact O-CB 3.31Å; D40-N43 PolarHBondContact O-N 3.24Å; D40-N69 CarbonylContact C-O 3.56Å
41	F	85.4	Confident	72.7	Confident	37 Å²	37	75.5 Å²	75.5	16%	0.162	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.2	-172.6	63.9	-94	0	0	0	114.3	N69 C119 K123 V125	F41-N69 HydrophobicContact CD1-CB 4.17Å; F41-N69 HydrophobicContact CE1-CB 3.64Å; F41-N69 WeakPolarHBondContact CE1-OD1 3.46Å; F41-N69 HydrophobicContact CE2-CB 4.26Å; F41-N69 HydrophobicContact CZ-CB 3.68Å; F41-N69 VanDerWaalsContact CZ-CG 3.48Å; F41-N69 PolarHBondContact N-O 2.85Å; F41-C119 WeakPolarHBondContact CE2-O 3.27Å; F41-K123 HydrophobicContact CD1-CB 4.23Å; F41-K123 HydrophobicContact CE1-CB 3.99Å; F41-K123 HydrophobicContact CE1-CG 4.42Å; F41-K123 WeakPolarHBondContact CG-O 3.04Å; F41-K123 HydrophobicContact CZ-CB 4.41Å; F41-V125 WeakPolarHBondContact O-CG2 3.35Å
42	F	89.4	Confident	75.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	14.6	168.5	-77.5	-64.7	0	0	0	113.3	D40 G44 V45 N69 G71 W115 L116 C119 I120 V125	D40-F42 VanDerWaalsContact C-N 3.26Å; D40-F42 PolarHBondContact O-N 2.67Å; F42-G44 PolarHBondContact O-N 3.3Å; F42-V45 HydrophobicContact CB-CB 4.32Å; F42-V45 HydrophobicContact CD1-CB 4.06Å; F42-V45 HydrophobicContact CD1-CG1 4.1Å; F42-V45 HydrophobicContact CD1-CG2 4.13Å; F42-V45 VanDerWaalsContact O-CB 3.3Å; F42-V45 WeakPolarHBondContact O-CB 3.36Å; F42-V45 PolarHBondContact O-N 2.85Å; F42-N69 WeakPolarHBondContact CB-O 3.21Å; F42-N69 HydrophobicContact CD2-CB 3.89Å; F42-N69 PolarHBondContact N-O 2.87Å; F42-G71 WeakPolarHBondContact O-CA 3.14Å; F42-W115 HydrophobicContact CE1-CH2 4.29Å; F42-W115 HydrophobicContact CE1-CZ3 4.44Å; F42-L116 HydrophobicContact CE1-CD1 4.05Å; F42-L116 HydrophobicContact CE2-CD1 4.38Å; F42-L116 HydrophobicContact CZ-CD1 3.63Å; F42-C119 HydrophobicContact CE1-CB 3.99Å; F42-C119 HydrophobicContact CZ-CB 3.57Å; F42-I120 HydrophobicContact CE2-CG1 3.82Å; F42-I120 HydrophobicContact CZ-CG1 4.19Å; F42-V125 HydrophobicContact CD1-CG2 4.22Å
43	N	86.3	Confident	77.6	Confident	132 Å²	132	64.3 Å²	64.3	71%	0.706	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	131.4	178.7	-166.1	16.8	0	0	0	111.2	D40 V45	D40-N43 WeakPolarHBondContact O-CB 3.31Å; D40-N43 PolarHBondContact O-N 3.24Å; N43-V45 VanDerWaalsContact C-N 3.25Å; N43-V45 PolarHBondContact O-N 3.09Å
44	G	83.1	Confident	79.8	Confident	62 Å²	62	58 Å²	58	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-1.3	-172.7	0	0	0	0	0	115.1	F42	F42-G44 PolarHBondContact O-N 3.3Å
45	V	89.7	Confident	81.4	Confident	13 Å²	13	50.5 Å²	50.5	8%	0.079	32%	0.321	C	S	.	.			trans	-95.9	121.3	174.9	-176	0	0	0	0	110.1	F42 N43 V47 G71 Q72 V125	F42-V45 HydrophobicContact CB-CB 4.32Å; F42-V45 HydrophobicContact CD1-CB 4.06Å; F42-V45 HydrophobicContact CD1-CG1 4.1Å; F42-V45 HydrophobicContact CD1-CG2 4.13Å; F42-V45 VanDerWaalsContact O-CB 3.3Å; F42-V45 WeakPolarHBondContact O-CB 3.36Å; F42-V45 PolarHBondContact O-N 2.85Å; N43-V45 VanDerWaalsContact C-N 3.25Å; N43-V45 PolarHBondContact O-N 3.09Å; V45-V47 HydrophobicContact CG1-CG2 3.77Å; V45-G71 WeakPolarHBondContact O-CA 3.26Å; V45-Q72 PolarHBondContact O-N 3.06Å; V45-V125 HydrophobicContact CG2-CG2 4.24Å
46	T	91	Very high	82.6	Confident	12 Å²	12	53.2 Å²	53.2	7%	0.074	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.7	173	-55.2	0	0	0	0	108.9	Q72 Q74 S80 V81 T82 H83	T46-Q72 CarbonylContact C-O 3Å; T46-Q72 WeakPolarHBondContact CA-O 3.48Å; T46-Q72 HydrophobicContact CG2-CB 4.07Å; T46-Q74 HydrophobicContact CG2-CG 3.63Å; T46-S80 WeakPolarHBondContact CB-O 2.93Å; T46-S80 WeakPolarHBondContact CG2-O 3.13Å; T46-S80 PolarHBondContact OG1-O 3.05Å; T46-S80 VanDerWaalsContact OG1-O 3.05Å; T46-V81 HydrophobicContact CG2-CG2 4.37Å; T46-T82 PolarHBondContact N-OG1 3.4Å; T46-T82 PolarHBondContact O-N 3.36Å; T46-T82 PolarHBondContact O-OG1 2.72Å; T46-H83 PolarHBondContact O-N 3.43Å; T46-H83 VanDerWaalsContact O-N 3.13Å
47	V	92.6	Very high	83.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.2	-174	-174.5	0	0	0	0	110.8	V45 L49 I66 Q72 I73 Q74 H83 V85	V45-V47 HydrophobicContact CG1-CG2 3.77Å; V47-L49 HydrophobicContact CG1-CD2 4.43Å; V47-L49 HydrophobicContact CG1-CG 4.03Å; V47-I66 HydrophobicContact CB-CD1 3.96Å; V47-I66 HydrophobicContact CG1-CD1 4.1Å; V47-I66 HydrophobicContact CG2-CD1 3.96Å; V47-I66 HydrophobicContact CG2-CG2 4.38Å; V47-Q72 PolarHBondContact N-O 3.4Å; V47-I73 WeakPolarHBondContact O-CA 3.48Å; V47-I73 WeakPolarHBondContact O-CG2 3.31Å; V47-Q74 PolarHBondContact O-N 3.11Å; V47-H83 CarbonylContact C-O 3.46Å; V47-H83 WeakPolarHBondContact CA-O 3.42Å; V47-H83 HydrophobicContact CG2-CB 4.48Å; V47-V85 HydrophobicContact CG1-CB 4.1Å; V47-V85 HydrophobicContact CG1-CG2 3.52Å
48	Y	92.4	Very high	84.3	Confident	31 Å²	31	49.4 Å²	49.4	12%	0.122	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.6	159.8	173.5	-128.2	0	0	0	109.1	L50 Q74 S75 L77 H83 V84 V85 M99	Y48-L50 HydrophobicContact CE1-CD1 4.29Å; Y48-Q74 WeakPolarHBondContact CD2-O 3.43Å; Y48-S75 WeakPolarHBondContact CE2-O 3.42Å; Y48-L77 HydrophobicContact CD1-CB 4.4Å; Y48-L77 HydrophobicContact CD1-CD1 4.48Å; Y48-H83 PolarHBondContact N-O 2.77Å; Y48-V84 HydrophobicContact CD1-CG1 4.12Å; Y48-V84 HydrophobicContact CD1-CG2 4.14Å; Y48-V84 WeakPolarHBondContact O-CA 3.38Å; Y48-V85 PolarHBondContact O-N 3.45Å; Y48-M99 HydrophobicContact CD1-SD 4.14Å; Y48-M99 HydrophobicContact CE1-CG 3.94Å; Y48-M99 HydrophobicContact CE1-SD 3.88Å
49	L	90.4	Very high	84.9	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117	178.8	-78.6	161.7	0	0	0	109.8	V47 P51 I54 F62 I66 V85 L116	V47-L49 HydrophobicContact CG1-CD2 4.43Å; V47-L49 HydrophobicContact CG1-CG 4.03Å; L49-P51 WeakPolarHBondContact O-CD 3.33Å; L49-I54 HydrophobicContact CD2-CD1 4.39Å; L49-F62 HydrophobicContact CD1-CB 3.83Å; L49-F62 HydrophobicContact CD2-CB 4.39Å; L49-F62 HydrophobicContact CD2-CD2 4.14Å; L49-I66 HydrophobicContact CD1-CD1 4.11Å; L49-V85 HydrophobicContact CD2-CB 3.76Å; L49-V85 HydrophobicContact CD2-CG1 3.76Å; L49-L116 HydrophobicContact CD2-CD2 4.01Å
50	L	88.5	Confident	85.4	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	31%	0.31	C	S	.	.			trans	-82.7	111.4	174	-166.9	67	0	0	0	109.3	Y48 A52 I54 V85 V86 M90 L98 M99	Y48-L50 HydrophobicContact CE1-CD1 4.29Å; L50-A52 PolarHBondContact O-N 2.87Å; L50-A52 VanDerWaalsContact O-N 3.16Å; L50-I54 WeakPolarHBondContact O-CD1 3.46Å; L50-V85 PolarHBondContact N-O 2.96Å; L50-V86 HydrophobicContact CB-CG1 4.01Å; L50-V86 HydrophobicContact CD2-CG1 3.89Å; L50-M90 HydrophobicContact CD2-CE 4.33Å; L50-L98 HydrophobicContact CD1-CB 4.29Å; L50-L98 HydrophobicContact CD2-CB 3.97Å; L50-L98 HydrophobicContact CD2-CD1 3.94Å; L50-M99 HydrophobicContact CD1-CG 4.12Å
51	P	83.7	Confident	85.5	Confident	62 Å²	62	49.1 Å²	49.1	40%	0.403	30%	0.302	S	S	.	.	H	α-helix	trans	-69.6	-18.7	-169.2	-21.8	35.1	0	0	0	114.7	L49 G53 I54 G55	L49-P51 WeakPolarHBondContact O-CD 3.33Å; P51-G53 PolarHBondContact O-N 2.9Å; P51-I54 PolarHBondContact O-N 3.04Å; P51-G55 PolarHBondContact O-N 2.88Å
52	A	85.3	Confident	85.8	Confident	35 Å²	35	47.9 Å²	47.9	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	121.3	180	0	0	0	0	0	110.8	L50 I54 M90 L98	L50-A52 PolarHBondContact O-N 2.87Å; L50-A52 VanDerWaalsContact O-N 3.16Å; A52-I54 VanDerWaalsContact C-N 3.31Å; A52-I54 PolarHBondContact O-N 2.97Å; A52-M90 HydrophobicContact CB-CE 3.91Å; A52-M90 WeakPolarHBondContact O-CE 3.5Å; A52-L98 HydrophobicContact CB-CD1 3.74Å
53	G	80.8	Confident	85.8	Confident	60 Å²	60	51.2 Å²	51.2	62%	0.619	31%	0.312	S	S	*	.	H	α-helix	trans	89.9	-41	-178.1	0	0	0	0	0	114.1	P51	P51-G53 PolarHBondContact O-N 2.9Å
54	I	82	Confident	85.9	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-73.1	-37	-176.7	-56.1	179.8	0	0	0	112.2	L49 L50 P51 A52 R58 F62 V85 D87 C113	L49-I54 HydrophobicContact CD2-CD1 4.39Å; L50-I54 WeakPolarHBondContact O-CD1 3.46Å; P51-I54 PolarHBondContact O-N 3.04Å; A52-I54 VanDerWaalsContact C-N 3.31Å; A52-I54 PolarHBondContact O-N 2.97Å; I54-R58 HydrophobicContact CG2-CB 4.03Å; I54-R58 HydrophobicContact CG2-CG 3.94Å; I54-R58 WeakPolarHBondContact O-CB 3.47Å; I54-F62 HydrophobicContact CG2-CD2 4.24Å; I54-F62 HydrophobicContact CG2-CE2 4.02Å; I54-V85 HydrophobicContact CD1-CG1 4.4Å; I54-D87 HydrophobicContact CG1-CB 3.93Å; I54-C113 HydrophobicContact CD1-CB 4.03Å; I54-C113 HydrophobicContact CG1-CB 4.38Å
55	G	78.3	Confident	86.2	Confident	33 Å²	33	51.2 Å²	51.2	34%	0.34	29%	0.286	S	S	.	.			trans	84.6	142	179.7	0	0	0	0	0	114.6	P51 A57 R58 C59	P51-G55 PolarHBondContact O-N 2.88Å; G55-A57 PolarHBondContact O-N 3.23Å; G55-R58 PolarHBondContact O-N 3.49Å; G55-R58 VanDerWaalsContact O-N 3.11Å; G55-C59 PolarHBondContact O-N 3.2Å; G55-C59 PolarHBondContact O-SG 3.02Å; G55-C59 VanDerWaalsContact O-SG 3.41Å
56	N	79.5	Confident	86.2	Confident	121 Å²	121	50.6 Å²	50.6	65%	0.647	28%	0.282	S	S	*	.	H	α-helix	trans	-58.4	-39.3	-168.4	-69.8	-23	0	0	0	114.8	C59 Q60	N56-C59 PolarHBondContact O-N 3.23Å; N56-Q60 WeakPolarHBondContact O-CG 3.24Å; N56-Q60 PolarHBondContact O-N 3.21Å
57	A	77.4	Confident	86.2	Confident	68 Å²	68	53.8 Å²	53.8	56%	0.562	30%	0.296	S	S	*	.	H	α-helix	trans	-66.4	-39.8	179.3	0	0	0	0	0	111.9	G55 Q60 I61	G55-A57 PolarHBondContact O-N 3.23Å; A57-Q60 PolarHBondContact O-N 2.82Å; A57-I61 WeakPolarHBondContact O-CG1 3.44Å; A57-I61 PolarHBondContact O-N 2.98Å; A57-I61 VanDerWaalsContact O-N 3.15Å
58	R	83.1	Confident	86	Confident	92 Å²	92	56 Å²	56	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-72.6	-38.3	178.3	-171.1	175	-178.3	-169.8	0.2	111.1	I54 G55 Q60 I61 F62 S117	I54-R58 HydrophobicContact CG2-CB 4.03Å; I54-R58 HydrophobicContact CG2-CG 3.94Å; I54-R58 WeakPolarHBondContact O-CB 3.47Å; G55-R58 PolarHBondContact O-N 3.49Å; G55-R58 VanDerWaalsContact O-N 3.11Å; R58-Q60 VanDerWaalsContact C-N 3.35Å; R58-Q60 PolarHBondContact O-N 2.92Å; R58-I61 PolarHBondContact O-N 3.38Å; R58-F62 HydrophobicContact CG-CD2 4.12Å; R58-F62 HydrophobicContact CG-CE2 3.72Å; R58-F62 HydrophobicContact CG-CZ 4.13Å; R58-F62 PolarHBondContact O-N 3.49Å; R58-S117 PolarHBondContact NH2-OG 3.01Å
59	C	85.7	Confident	85.8	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-47.6	169.7	-66	0	0	0	0	111.2	G55 N56 I61 F62 H63	G55-C59 PolarHBondContact O-N 3.2Å; G55-C59 PolarHBondContact O-SG 3.02Å; G55-C59 VanDerWaalsContact O-SG 3.41Å; N56-C59 PolarHBondContact O-N 3.23Å; C59-I61 VanDerWaalsContact C-N 3.29Å; C59-I61 PolarHBondContact O-N 3.27Å; C59-F62 PolarHBondContact O-N 2.91Å; C59-H63 WeakPolarHBondContact O-CB 3.47Å; C59-H63 PolarHBondContact O-CD2 3.23Å; C59-H63 PolarHBondContact O-N 3.48Å
60	Q	84.7	Confident	85.6	Confident	138 Å²	138	56.2 Å²	56.2	65%	0.645	32%	0.315	S	S	*	.	H	α-helix	trans	-59.9	-37.8	177.9	-74	174.7	7.4	0	0	113.1	N56 A57 R58 H63 R64	N56-Q60 WeakPolarHBondContact O-CG 3.24Å; N56-Q60 PolarHBondContact O-N 3.21Å; A57-Q60 PolarHBondContact O-N 2.82Å; R58-Q60 VanDerWaalsContact C-N 3.35Å; R58-Q60 PolarHBondContact O-N 2.92Å; Q60-H63 PolarHBondContact O-N 2.77Å; Q60-R64 PolarHBondContact O-N 2.9Å; Q60-R64 VanDerWaalsContact O-N 3.11Å
61	I	86.8	Confident	85.7	Confident	101 Å²	101	56.2 Å²	56.2	52%	0.518	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-49.4	175.1	-67.2	165.8	0	0	0	110.3	A57 R58 C59 H63 R64 Q65	A57-I61 WeakPolarHBondContact O-CG1 3.44Å; A57-I61 PolarHBondContact O-N 2.98Å; A57-I61 VanDerWaalsContact O-N 3.15Å; R58-I61 PolarHBondContact O-N 3.38Å; C59-I61 VanDerWaalsContact C-N 3.29Å; C59-I61 PolarHBondContact O-N 3.27Å; I61-H63 VanDerWaalsContact C-N 3.26Å; I61-H63 PolarHBondContact O-N 3.14Å; I61-R64 PolarHBondContact O-N 2.97Å; I61-Q65 HydrophobicContact CG2-CG 4.3Å; I61-Q65 WeakPolarHBondContact O-CB 3.42Å; I61-Q65 VanDerWaalsContact O-CG 3.31Å; I61-Q65 WeakPolarHBondContact O-CG 3.47Å; I61-Q65 PolarHBondContact O-N 2.91Å
62	F	91.2	Very high	86	Confident	11 Å²	11	59 Å²	59	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-38.8	176.1	-73.2	-36	0	0	0	112.1	L49 I54 R58 C59 R64 Q65 I66 C113 L116 S117 I120	L49-F62 HydrophobicContact CD1-CB 3.83Å; L49-F62 HydrophobicContact CD2-CB 4.39Å; L49-F62 HydrophobicContact CD2-CD2 4.14Å; I54-F62 HydrophobicContact CG2-CD2 4.24Å; I54-F62 HydrophobicContact CG2-CE2 4.02Å; R58-F62 HydrophobicContact CG-CD2 4.12Å; R58-F62 HydrophobicContact CG-CE2 3.72Å; R58-F62 HydrophobicContact CG-CZ 4.13Å; R58-F62 PolarHBondContact O-N 3.49Å; C59-F62 PolarHBondContact O-N 2.91Å; F62-R64 VanDerWaalsContact C-N 3.34Å; F62-R64 PolarHBondContact O-N 2.74Å; F62-Q65 PolarHBondContact O-N 3.41Å; F62-I66 HydrophobicContact CB-CD1 4.49Å; F62-I66 WeakPolarHBondContact O-CB 3.45Å; F62-I66 WeakPolarHBondContact O-CD1 3.48Å; F62-I66 VanDerWaalsContact O-CG1 3.25Å; F62-I66 WeakPolarHBondContact O-CG1 3.4Å; F62-I66 PolarHBondContact O-N 3.18Å; F62-C113 HydrophobicContact CE2-CB 4.16Å; F62-L116 HydrophobicContact CB-CD2 3.82Å; F62-L116 HydrophobicContact CD1-CD2 3.66Å; F62-L116 HydrophobicContact CD1-CG 4.14Å; F62-L116 HydrophobicContact CD2-CD2 3.88Å; F62-L116 HydrophobicContact CE1-CD2 4.12Å; F62-L116 HydrophobicContact CE1-CG 4.31Å; F62-L116 HydrophobicContact CE2-CD2 4.3Å; F62-L116 HydrophobicContact CG-CD2 3.53Å; F62-L116 HydrophobicContact CG-CG 4.49Å; F62-L116 HydrophobicContact CZ-CD2 4.41Å; F62-S117 WeakPolarHBondContact CZ-OG 3.42Å; F62-I120 HydrophobicContact CD1-CD1 3.88Å; F62-I120 HydrophobicContact CE1-CD1 4.2Å
63	H	89.3	Confident	86.3	Confident	70 Å²	70	58.7 Å²	58.7	32%	0.324	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-49.5	177.4	-92.8	-98.4	0	0	0	111.7	C59 Q60 I61 Q67 I73	C59-H63 WeakPolarHBondContact O-CB 3.47Å; C59-H63 PolarHBondContact O-CD2 3.23Å; C59-H63 PolarHBondContact O-N 3.48Å; Q60-H63 PolarHBondContact O-N 2.77Å; I61-H63 VanDerWaalsContact C-N 3.26Å; I61-H63 PolarHBondContact O-N 3.14Å; H63-Q67 WeakPolarHBondContact O-CG 3.43Å; H63-Q67 PolarHBondContact O-N 2.93Å; H63-I73 HydrophobicContact CB-CD1 3.73Å; H63-I73 WeakPolarHBondContact CE1-CG2 3.34Å; H63-I73 WeakPolarHBondContact ND1-CD1 3.27Å; H63-I73 WeakPolarHBondContact ND1-CG2 3.47Å; H63-I73 VanDerWaalsContact O-CD1 3.27Å; H63-I73 WeakPolarHBondContact O-CD1 3.3Å
64	R	88.8	Confident	86.7	Confident	133 Å²	133	58.5 Å²	58.5	50%	0.502	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-44.9	177	-172.1	-178.6	-63.5	163.1	0.5	111.8	Q60 I61 F62 Q67 Q68	Q60-R64 PolarHBondContact O-N 2.9Å; Q60-R64 VanDerWaalsContact O-N 3.11Å; I61-R64 PolarHBondContact O-N 2.97Å; F62-R64 VanDerWaalsContact C-N 3.34Å; F62-R64 PolarHBondContact O-N 2.74Å; R64-Q67 PolarHBondContact O-N 2.88Å; R64-Q68 HydrophobicContact CG-CG 4.22Å; R64-Q68 VanDerWaalsContact O-CB 3.28Å; R64-Q68 WeakPolarHBondContact O-CB 3.37Å; R64-Q68 WeakPolarHBondContact O-CG 3.39Å; R64-Q68 PolarHBondContact O-N 2.97Å
65	Q	89.6	Confident	86.7	Confident	61 Å²	61	63.2 Å²	63.2	29%	0.285	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-39.1	-176.8	-71.5	-67	-37.5	0	0	113	I61 F62 N69 I120	I61-Q65 HydrophobicContact CG2-CG 4.3Å; I61-Q65 WeakPolarHBondContact O-CB 3.42Å; I61-Q65 VanDerWaalsContact O-CG 3.31Å; I61-Q65 WeakPolarHBondContact O-CG 3.47Å; I61-Q65 PolarHBondContact O-N 2.91Å; F62-Q65 PolarHBondContact O-N 3.41Å; Q65-N69 WeakPolarHBondContact O-CB 3.4Å; Q65-N69 PolarHBondContact O-N 3.48Å; Q65-N69 PolarHBondContact O-ND2 3.32Å; Q65-I120 HydrophobicContact CB-CD1 3.71Å; Q65-I120 HydrophobicContact CB-CG1 4.33Å; Q65-I120 HydrophobicContact CG-CD1 4.37Å
66	I	90.1	Very high	87	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-47.8	176.1	-69	160.5	0	0	0	109.7	V47 L49 F62 N69 G70 G71 I73 L116	V47-I66 HydrophobicContact CB-CD1 3.96Å; V47-I66 HydrophobicContact CG1-CD1 4.1Å; V47-I66 HydrophobicContact CG2-CD1 3.96Å; V47-I66 HydrophobicContact CG2-CG2 4.38Å; L49-I66 HydrophobicContact CD1-CD1 4.11Å; F62-I66 HydrophobicContact CB-CD1 4.49Å; F62-I66 WeakPolarHBondContact O-CB 3.45Å; F62-I66 WeakPolarHBondContact O-CD1 3.48Å; F62-I66 VanDerWaalsContact O-CG1 3.25Å; F62-I66 WeakPolarHBondContact O-CG1 3.4Å; F62-I66 PolarHBondContact O-N 3.18Å; I66-N69 CarbonylContact O-C 3.58Å; I66-N69 PolarHBondContact O-N 3.27Å; I66-G70 PolarHBondContact O-N 3.29Å; I66-G71 WeakPolarHBondContact O-CA 3.29Å; I66-G71 PolarHBondContact O-N 2.87Å; I66-I73 HydrophobicContact CB-CD1 3.99Å; I66-I73 HydrophobicContact CB-CG1 4.14Å; I66-I73 HydrophobicContact CD1-CD1 4.2Å; I66-I73 HydrophobicContact CD1-CG1 4.28Å; I66-I73 HydrophobicContact CG2-CD1 4.14Å; I66-I73 HydrophobicContact CG2-CG1 3.73Å; I66-L116 HydrophobicContact CD1-CD1 4.05Å; I66-L116 HydrophobicContact CD1-CD2 3.86Å; I66-L116 HydrophobicContact CG1-CD1 3.9Å; I66-L116 HydrophobicContact CG1-CD2 4.39Å
67	Q	90.8	Very high	87.2	Confident	79 Å²	79	61.2 Å²	61.2	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-42.1	-179.4	-70.7	177.9	-36.4	0	0	112.8	H63 R64 N69 G70 I73	H63-Q67 WeakPolarHBondContact O-CG 3.43Å; H63-Q67 PolarHBondContact O-N 2.93Å; R64-Q67 PolarHBondContact O-N 2.88Å; Q67-N69 PolarHBondContact O-N 2.91Å; Q67-G70 PolarHBondContact O-N 3.45Å; Q67-I73 HydrophobicContact CG-CD1 3.98Å; Q67-I73 HydrophobicContact CG-CG1 4.42Å
68	Q	88.6	Confident	87.4	Confident	47 Å²	47	59.4 Å²	59.4	22%	0.22	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-19.5	176.8	-77.9	178.4	-28.8	0	0	113.5	T38 G39 R64	T38-Q68 PolarHBondContact N-O 3.11Å; T38-Q68 PolarHBondContact OG1-O 3.1Å; G39-Q68 PolarHBondContact N-O 3.2Å; G39-Q68 VanDerWaalsContact N-O 3.1Å; R64-Q68 HydrophobicContact CG-CG 4.22Å; R64-Q68 VanDerWaalsContact O-CB 3.28Å; R64-Q68 WeakPolarHBondContact O-CB 3.37Å; R64-Q68 WeakPolarHBondContact O-CG 3.39Å; R64-Q68 PolarHBondContact O-N 2.97Å
69	N	87.6	Confident	87.3	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.091	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	22.8	-178	-66.4	-67.6	0	0	0	112.8	G39 D40 F41 F42 Q65 I66 Q67	G39-N69 CarbonylContact O-C 3.55Å; G39-N69 WeakPolarHBondContact O-CA 3.42Å; D40-N69 CarbonylContact C-O 3.56Å; F41-N69 HydrophobicContact CD1-CB 4.17Å; F41-N69 HydrophobicContact CE1-CB 3.64Å; F41-N69 WeakPolarHBondContact CE1-OD1 3.46Å; F41-N69 HydrophobicContact CE2-CB 4.26Å; F41-N69 HydrophobicContact CZ-CB 3.68Å; F41-N69 VanDerWaalsContact CZ-CG 3.48Å; F41-N69 PolarHBondContact N-O 2.85Å; F42-N69 WeakPolarHBondContact CB-O 3.21Å; F42-N69 HydrophobicContact CD2-CB 3.89Å; F42-N69 PolarHBondContact N-O 2.87Å; Q65-N69 WeakPolarHBondContact O-CB 3.4Å; Q65-N69 PolarHBondContact O-N 3.48Å; Q65-N69 PolarHBondContact O-ND2 3.32Å; I66-N69 CarbonylContact O-C 3.58Å; I66-N69 PolarHBondContact O-N 3.27Å; Q67-N69 PolarHBondContact O-N 2.91Å
70	G	86.4	Confident	87.2	Confident	25 Å²	25	64 Å²	64	26%	0.258	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	4	169.5	0	0	0	0	0	115.9	G39 I66 Q67	G39-G70 PolarHBondContact O-N 3.4Å; I66-G70 PolarHBondContact O-N 3.29Å; Q67-G70 PolarHBondContact O-N 3.45Å
71	G	90.4	Very high	87.4	Confident	7 Å²	7	57.6 Å²	57.6	7%	0.072	32%	0.318	C	S	.	.			trans	-89	159.5	177.4	0	0	0	0	0	113.9	F42 V45 I66	F42-G71 WeakPolarHBondContact O-CA 3.14Å; V45-G71 WeakPolarHBondContact O-CA 3.26Å; I66-G71 WeakPolarHBondContact O-CA 3.29Å; I66-G71 PolarHBondContact O-N 2.87Å
72	Q	90.7	Very high	87.5	Confident	120 Å²	120	54.7 Å²	54.7	56%	0.561	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	156	177	-64.4	-172.3	6.4	0	0	111.7	V45 T46 V47	V45-Q72 PolarHBondContact O-N 3.06Å; T46-Q72 CarbonylContact C-O 3Å; T46-Q72 WeakPolarHBondContact CA-O 3.48Å; T46-Q72 HydrophobicContact CG2-CB 4.07Å; V47-Q72 PolarHBondContact N-O 3.4Å
73	I	91.1	Very high	87.5	Confident	28 Å²	28	54.7 Å²	54.7	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.1	178.8	-50.8	171.4	0	0	0	110.6	V47 H63 I66 Q67	V47-I73 WeakPolarHBondContact O-CA 3.48Å; V47-I73 WeakPolarHBondContact O-CG2 3.31Å; H63-I73 HydrophobicContact CB-CD1 3.73Å; H63-I73 WeakPolarHBondContact CE1-CG2 3.34Å; H63-I73 WeakPolarHBondContact ND1-CD1 3.27Å; H63-I73 WeakPolarHBondContact ND1-CG2 3.47Å; H63-I73 VanDerWaalsContact O-CD1 3.27Å; H63-I73 WeakPolarHBondContact O-CD1 3.3Å; I66-I73 HydrophobicContact CB-CD1 3.99Å; I66-I73 HydrophobicContact CB-CG1 4.14Å; I66-I73 HydrophobicContact CD1-CD1 4.2Å; I66-I73 HydrophobicContact CD1-CG1 4.28Å; I66-I73 HydrophobicContact CG2-CD1 4.14Å; I66-I73 HydrophobicContact CG2-CG1 3.73Å; Q67-I73 HydrophobicContact CG-CD1 3.98Å; Q67-I73 HydrophobicContact CG-CG1 4.42Å
74	Q	88.8	Confident	87.7	Confident	57 Å²	57	51.3 Å²	51.3	27%	0.266	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.5	174.8	-65.8	-68.3	-13.5	0	0	110.4	T46 V47 Y48 S76 V81	T46-Q74 HydrophobicContact CG2-CG 3.63Å; V47-Q74 PolarHBondContact O-N 3.11Å; Y48-Q74 WeakPolarHBondContact CD2-O 3.43Å; Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 WeakPolarHBondContact CB-O 3.08Å; Q74-V81 HydrophobicContact CB-CG2 3.83Å; Q74-V81 HydrophobicContact CG-CG2 3.81Å
75	S	82.6	Confident	87.8	Confident	110 Å²	110	45 Å²	45	77%	0.769	27%	0.265	S	S	*	.	S	Bend	trans	-84	-7.3	175.5	53	0	0	0	0	113.3	Y48	Y48-S75 WeakPolarHBondContact CE2-O 3.42Å
76	S	83.7	Confident	88	Confident	63 Å²	63	42.1 Å²	42.1	44%	0.441	25%	0.252	S	S	.	.	S	Bend	trans	-153.9	160.6	-179.5	54.1	0	0	0	0	109.9	Q74 S78	Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 WeakPolarHBondContact CB-O 3.08Å; S76-S78 PolarHBondContact O-N 3.24Å
77	L	83.6	Confident	88	Confident	49 Å²	49	43 Å²	43	26%	0.257	26%	0.257	S	S	.	.			trans	-63.7	123.1	174	-168.5	67.1	0	0	0	110.2	Y48 V81 V84 V101	Y48-L77 HydrophobicContact CD1-CB 4.4Å; Y48-L77 HydrophobicContact CD1-CD1 4.48Å; L77-V81 HydrophobicContact CD1-CB 4.31Å; L77-V81 HydrophobicContact CD1-CG1 4.18Å; L77-V84 HydrophobicContact CD1-CG2 3.72Å; L77-V101 HydrophobicContact CD2-CG1 4.04Å; L77-V101 HydrophobicContact CD2-CG2 4.37Å
78	S	82.3	Confident	87.9	Confident	30 Å²	30	41.5 Å²	41.5	21%	0.21	25%	0.251	C	S	.	.			trans	-138.8	162.8	178.3	61	0	0	0	0	110.4	S76 S80 V81	S76-S78 PolarHBondContact O-N 3.24Å; S78-S80 PolarHBondContact O-N 3.03Å; S78-S80 PolarHBondContact OG-OG 3.49Å; S78-V81 WeakPolarHBondContact O-CB 3.19Å; S78-V81 PolarHBondContact O-N 3.26Å
79	P	80.3	Confident	87.8	Confident	145 Å²	145	44.8 Å²	44.8	94%	0.942	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17	-179.6	-24.5	34.5	0	0	0	114.8
80	S	83.3	Confident	87.8	Confident	54 Å²	54	44.3 Å²	44.3	38%	0.378	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.4	176.7	51.5	0	0	0	0	114.1	T46 S78	T46-S80 WeakPolarHBondContact CB-O 2.93Å; T46-S80 WeakPolarHBondContact CG2-O 3.13Å; T46-S80 PolarHBondContact OG1-O 3.05Å; T46-S80 VanDerWaalsContact OG1-O 3.05Å; S78-S80 PolarHBondContact O-N 3.03Å; S78-S80 PolarHBondContact OG-OG 3.49Å
81	V	89.6	Confident	87.8	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.018	28%	0.278	C	S	.	.			trans	-74.1	126.9	179.6	175	0	0	0	0	109.2	T46 Q74 L77 S78 H83 V84 V108	T46-V81 HydrophobicContact CG2-CG2 4.37Å; Q74-V81 HydrophobicContact CB-CG2 3.83Å; Q74-V81 HydrophobicContact CG-CG2 3.81Å; L77-V81 HydrophobicContact CD1-CB 4.31Å; L77-V81 HydrophobicContact CD1-CG1 4.18Å; S78-V81 WeakPolarHBondContact O-CB 3.19Å; S78-V81 PolarHBondContact O-N 3.26Å; V81-H83 WeakPolarHBondContact CG1-O 3.3Å; V81-V84 HydrophobicContact CG1-CG2 4.23Å; V81-V108 HydrophobicContact CG1-CG1 4.25Å; V81-V108 WeakPolarHBondContact O-CG2 3.31Å
82	T	89.5	Confident	87.6	Confident	40 Å²	40	47.8 Å²	47.8	25%	0.245	29%	0.285	C	S	.	.			trans	-99.8	-27.1	174.4	61.2	0	0	0	0	112	T46 V108 H109	T46-T82 PolarHBondContact N-OG1 3.4Å; T46-T82 PolarHBondContact O-N 3.36Å; T46-T82 PolarHBondContact O-OG1 2.72Å; T82-V108 WeakPolarHBondContact O-CA 3.47Å; T82-H109 PolarHBondContact O-N 2.76Å
83	H	91.8	Very high	87.2	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.046	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.5	-177.4	-66.3	71.3	0	0	0	111.9	T46 V47 Y48 V81 H109 W115 E128	T46-H83 PolarHBondContact O-N 3.43Å; T46-H83 VanDerWaalsContact O-N 3.13Å; V47-H83 CarbonylContact C-O 3.46Å; V47-H83 WeakPolarHBondContact CA-O 3.42Å; V47-H83 HydrophobicContact CG2-CB 4.48Å; Y48-H83 PolarHBondContact N-O 2.77Å; V81-H83 WeakPolarHBondContact CG1-O 3.3Å; H83-H109 CarbonylContact C-O 3.53Å; H83-H109 WeakPolarHBondContact CA-O 3.36Å; H83-H109 AromaticContact NE2-ND1 3.94Å; H83-W115 AromaticContact CD2-CH2 3.39Å; H83-W115 WeakPolarHBondContact CD2-CH2 3.38Å; H83-W115 AromaticContact CD2-CZ2 3.75Å; H83-W115 AromaticContact CD2-CZ3 3.87Å; H83-W115 AromaticContact CG-CH2 3.97Å; H83-W115 AromaticContact NE2-CH2 3.57Å; H83-W115 AromaticContact NE2-CZ2 3.61Å; H83-E128 IonicContact NE2-OE1 3.34Å; H83-E128 PolarHBondContact NE2-OE1 3.46Å
84	V	91.6	Very high	86.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119	165	178.8	0	0	0	0	108.4	Y48 L77 V81 V86 M99 L104 V108 H109 L110 V111	Y48-V84 HydrophobicContact CD1-CG1 4.12Å; Y48-V84 HydrophobicContact CD1-CG2 4.14Å; Y48-V84 WeakPolarHBondContact O-CA 3.38Å; L77-V84 HydrophobicContact CD1-CG2 3.72Å; V81-V84 HydrophobicContact CG1-CG2 4.23Å; V84-V86 HydrophobicContact CG1-CG1 4.14Å; V84-M99 HydrophobicContact CB-SD 4.46Å; V84-M99 HydrophobicContact CG1-CE 4.13Å; V84-M99 HydrophobicContact CG1-SD 3.59Å; V84-M99 VanDerWaalsContact CG1-SD 3.59Å; V84-M99 HydrophobicContact CG2-SD 4.12Å; V84-L104 HydrophobicContact CB-CD2 4.39Å; V84-L104 HydrophobicContact CG2-CD2 3.75Å; V84-V108 HydrophobicContact CG2-CG1 3.82Å; V84-H109 PolarHBondContact N-O 2.87Å; V84-L110 HydrophobicContact CB-CD1 3.83Å; V84-L110 HydrophobicContact CG1-CD1 3.62Å; V84-V111 PolarHBondContact O-N 3.16Å
85	V	92.1	Very high	86.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.9	-178.6	176.7	0	0	0	0	109.8	V47 Y48 L49 L50 I54 V111 C113 L116	V47-V85 HydrophobicContact CG1-CB 4.1Å; V47-V85 HydrophobicContact CG1-CG2 3.52Å; Y48-V85 PolarHBondContact O-N 3.45Å; L49-V85 HydrophobicContact CD2-CB 3.76Å; L49-V85 HydrophobicContact CD2-CG1 3.76Å; L50-V85 PolarHBondContact N-O 2.96Å; I54-V85 HydrophobicContact CD1-CG1 4.4Å; V85-V111 WeakPolarHBondContact CA-O 3.4Å; V85-V111 HydrophobicContact CG2-CG2 3.84Å; V85-C113 HydrophobicContact CG1-CB 3.84Å; V85-L116 HydrophobicContact CG1-CB 4.29Å; V85-L116 HydrophobicContact CG1-CD2 4.24Å; V85-L116 HydrophobicContact CG2-CB 4.49Å; V85-L116 HydrophobicContact CG2-CD2 4.5Å
86	V	92.6	Very high	87.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	166.4	-179.1	-59	0	0	0	0	112.1	L50 V84 M90 A95 L110 V111 K112 C113 L133	L50-V86 HydrophobicContact CB-CG1 4.01Å; L50-V86 HydrophobicContact CD2-CG1 3.89Å; V84-V86 HydrophobicContact CG1-CG1 4.14Å; V86-M90 HydrophobicContact CB-CB 3.9Å; V86-M90 HydrophobicContact CB-CG 3.95Å; V86-M90 HydrophobicContact CG1-CG 4.41Å; V86-M90 HydrophobicContact CG2-CB 3.83Å; V86-M90 HydrophobicContact CG2-CG 4.14Å; V86-A95 HydrophobicContact CG1-CB 4.07Å; V86-L110 HydrophobicContact CG1-CD1 3.71Å; V86-L110 HydrophobicContact CG2-CD1 4.34Å; V86-V111 PolarHBondContact N-O 3.17Å; V86-K112 CarbonylContact O-C 3.57Å; V86-C113 VanDerWaalsContact O-CB 3.32Å; V86-C113 WeakPolarHBondContact O-CB 3.2Å; V86-C113 PolarHBondContact O-N 3.31Å; V86-L133 HydrophobicContact CG2-CD1 3.46Å; V86-L133 VanDerWaalsContact CG2-CD1 3.46Å
87	D	91.8	Very high	87.2	Confident	19 Å²	19	50.8 Å²	50.8	10%	0.102	27%	0.27	C	S	.	.			trans	-60.6	151.3	174.3	-175.4	-100.4	0	0	0	112.4	I54 T89 M90	I54-D87 HydrophobicContact CG1-CB 3.93Å; D87-T89 PolarHBondContact O-N 2.9Å; D87-T89 WeakPolarHBondContact OD1-CB 3.43Å; D87-T89 PolarHBondContact OD1-N 2.67Å; D87-T89 PolarHBondContact OD1-OG1 3.12Å; D87-M90 HydrophobicContact CB-CB 4.37Å; D87-M90 WeakPolarHBondContact O-CB 3.26Å; D87-M90 PolarHBondContact O-N 3.14Å
88	D	86.8	Confident	87.3	Confident	48 Å²	48	52.2 Å²	52.2	26%	0.257	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.8	-176.7	-60.7	-31.9	0	0	0	113.6	K112 C113 T114	D88-K112 HydrophobicContact CB-CD 4.46Å; D88-K112 WeakPolarHBondContact O-CE 3.44Å; D88-K112 PolarHBondContact O-NZ 2.82Å; D88-K112 WeakPolarHBondContact OD1-CB 3.42Å; D88-C113 PolarHBondContact OD1-N 3.44Å; D88-C113 PolarHBondContact OD1-SG 3.19Å; D88-T114 VanDerWaalsContact CG-CG2 3.5Å; D88-T114 WeakPolarHBondContact OD1-CB 3.48Å; D88-T114 WeakPolarHBondContact OD1-CG2 3.37Å; D88-T114 PolarHBondContact OD1-N 3.28Å; D88-T114 PolarHBondContact OD1-OG1 3.37Å; D88-T114 WeakPolarHBondContact OD2-CG2 3.3Å
89	T	86.5	Confident	87.5	Confident	116 Å²	116	51.8 Å²	51.8	71%	0.712	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.4	176.2	70.1	0	0	0	0	113.2	D87	D87-T89 PolarHBondContact O-N 2.9Å; D87-T89 WeakPolarHBondContact OD1-CB 3.43Å; D87-T89 PolarHBondContact OD1-N 2.67Å; D87-T89 PolarHBondContact OD1-OG1 3.12Å
90	M	88	Confident	87.8	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.03	27%	0.267	C	S	.	.			trans	-76.6	130.2	179.4	-166.1	74.3	68.8	0	0	111	L50 A52 V86 D87 R94 A95 L98 L133	L50-M90 HydrophobicContact CD2-CE 4.33Å; A52-M90 HydrophobicContact CB-CE 3.91Å; A52-M90 WeakPolarHBondContact O-CE 3.5Å; V86-M90 HydrophobicContact CB-CB 3.9Å; V86-M90 HydrophobicContact CB-CG 3.95Å; V86-M90 HydrophobicContact CG1-CG 4.41Å; V86-M90 HydrophobicContact CG2-CB 3.83Å; V86-M90 HydrophobicContact CG2-CG 4.14Å; D87-M90 HydrophobicContact CB-CB 4.37Å; D87-M90 WeakPolarHBondContact O-CB 3.26Å; D87-M90 PolarHBondContact O-N 3.14Å; M90-R94 HydrophobicContact SD-CB 4.13Å; M90-R94 HydrophobicContact SD-CG 3.73Å; M90-A95 HydrophobicContact CG-CB 4.01Å; M90-L98 HydrophobicContact CE-CD1 3.87Å; M90-L98 HydrophobicContact SD-CD1 3.96Å; M90-L133 WeakPolarHBondContact O-CD1 3.43Å
91	D	87.1	Confident	87.8	Confident	72 Å²	72	53.4 Å²	53.4	39%	0.385	26%	0.261	S	S	.	.			trans	-88.4	160.1	169	65.2	91.7	0	0	0	112	D93 R94 A95	D91-D93 PolarHBondContact OD1-N 3.16Å; D91-R94 VanDerWaalsContact CG-CB 3.49Å; D91-R94 VanDerWaalsContact OD1-CB 3.24Å; D91-R94 WeakPolarHBondContact OD1-CB 3.3Å; D91-R94 PolarHBondContact OD1-N 3.18Å; D91-R94 WeakPolarHBondContact OD2-CB 3.39Å; D91-A95 WeakPolarHBondContact O-CB 3.33Å; D91-A95 PolarHBondContact O-N 3.5Å
92	S	85.4	Confident	87.2	Confident	33 Å²	33	60.9 Å²	60.9	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-42.8	-176.2	50.2	0	0	0	0	112.9	R94 A95 L96	S92-R94 PolarHBondContact O-N 3.22Å; S92-A95 PolarHBondContact O-N 3.46Å; S92-L96 WeakPolarHBondContact O-CB 3.24Å; S92-L96 VanDerWaalsContact O-CG 3.3Å; S92-L96 WeakPolarHBondContact O-CG 3.36Å; S92-L96 PolarHBondContact O-N 3.24Å
93	D	82.8	Confident	86.7	Confident	98 Å²	98	69.2 Å²	69.2	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-42.6	-178.6	-70.1	-23.6	0	0	0	111.4	D91 L96 R97	D91-D93 PolarHBondContact OD1-N 3.16Å; D93-L96 PolarHBondContact O-N 3.05Å; D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.2Å; D93-R97 PolarHBondContact O-N 3.1Å
94	R	85.6	Confident	86.2	Confident	127 Å²	127	69.8 Å²	69.8	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-39.7	175.8	-173.5	178.1	175.5	-164.4	-0.6	112	M90 D91 S92 R97 L98	M90-R94 HydrophobicContact SD-CB 4.13Å; M90-R94 HydrophobicContact SD-CG 3.73Å; D91-R94 VanDerWaalsContact CG-CB 3.49Å; D91-R94 VanDerWaalsContact OD1-CB 3.24Å; D91-R94 WeakPolarHBondContact OD1-CB 3.3Å; D91-R94 PolarHBondContact OD1-N 3.18Å; D91-R94 WeakPolarHBondContact OD2-CB 3.39Å; S92-R94 PolarHBondContact O-N 3.22Å; R94-R97 PolarHBondContact O-N 3.38Å; R94-L98 HydrophobicContact CG-CD1 4.22Å; R94-L98 VanDerWaalsContact O-CG 3.32Å; R94-L98 WeakPolarHBondContact O-CG 3.35Å; R94-L98 PolarHBondContact O-N 3.17Å
95	A	86.4	Confident	85.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-46.9	175.3	0	0	0	0	0	111.5	V86 M90 D91 S92 R97 L98 M99 L110	V86-A95 HydrophobicContact CG1-CB 4.07Å; M90-A95 HydrophobicContact CG-CB 4.01Å; D91-A95 WeakPolarHBondContact O-CB 3.33Å; D91-A95 PolarHBondContact O-N 3.5Å; S92-A95 PolarHBondContact O-N 3.46Å; A95-R97 PolarHBondContact O-N 2.83Å; A95-L98 PolarHBondContact O-N 3.23Å; A95-M99 HydrophobicContact CB-CE 4.36Å; A95-M99 WeakPolarHBondContact O-CE 3.34Å; A95-M99 WeakPolarHBondContact O-CG 3.37Å; A95-M99 PolarHBondContact O-N 3.44Å; A95-L110 HydrophobicContact CB-CD1 4.28Å; A95-L110 HydrophobicContact CB-CD2 4.19Å
96	L	88.1	Confident	84.8	Confident	22 Å²	22	79 Å²	79	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-59.2	-45.8	176.3	-73.6	173.1	0	0	0	112	S92 D93 L98 M99 K100 V101 L104	S92-L96 WeakPolarHBondContact O-CB 3.24Å; S92-L96 VanDerWaalsContact O-CG 3.3Å; S92-L96 WeakPolarHBondContact O-CG 3.36Å; S92-L96 PolarHBondContact O-N 3.24Å; D93-L96 PolarHBondContact O-N 3.05Å; L96-L98 PolarHBondContact O-N 2.73Å; L96-M99 HydrophobicContact CD2-CE 4.4Å; L96-M99 CarbonylContact O-C 3.59Å; L96-M99 PolarHBondContact O-N 3.42Å; L96-K100 PolarHBondContact O-N 3.27Å; L96-V101 CarbonylContact C-O 3.54Å; L96-V101 WeakPolarHBondContact CB-O 3.46Å; L96-V101 HydrophobicContact CD2-CG2 3.76Å; L96-V101 PolarHBondContact O-N 2.97Å; L96-V101 VanDerWaalsContact O-N 3.12Å; L96-L104 HydrophobicContact CD2-CD1 3.68Å; L96-L104 HydrophobicContact CD2-CG 4.04Å
97	R	86.3	Confident	84.1	Confident	194 Å²	194	85.7 Å²	85.7	73%	0.732	43%	0.429	S	S	*	.	H	α-helix	trans	-59.9	-43.2	175.8	-73.2	174.9	-167.5	170	7.2	112.9	D93 R94 A95 M99 K100	D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.2Å; D93-R97 PolarHBondContact O-N 3.1Å; R94-R97 PolarHBondContact O-N 3.38Å; A95-R97 PolarHBondContact O-N 2.83Å; R97-M99 VanDerWaalsContact C-N 3.3Å; R97-M99 PolarHBondContact O-N 2.57Å; R97-K100 PolarHBondContact O-N 2.93Å; R97-K100 VanDerWaalsContact O-N 3.14Å
98	L	86.5	Confident	83.8	Confident	79 Å²	79	85.6 Å²	85.6	41%	0.414	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-32	179.3	-73.2	172.1	0	0	0	112.4	L50 A52 M90 R94 A95 L96 K100	L50-L98 HydrophobicContact CD1-CB 4.29Å; L50-L98 HydrophobicContact CD2-CB 3.97Å; L50-L98 HydrophobicContact CD2-CD1 3.94Å; A52-L98 HydrophobicContact CB-CD1 3.74Å; M90-L98 HydrophobicContact CE-CD1 3.87Å; M90-L98 HydrophobicContact SD-CD1 3.96Å; R94-L98 HydrophobicContact CG-CD1 4.22Å; R94-L98 VanDerWaalsContact O-CG 3.32Å; R94-L98 WeakPolarHBondContact O-CG 3.35Å; R94-L98 PolarHBondContact O-N 3.17Å; A95-L98 PolarHBondContact O-N 3.23Å; L96-L98 PolarHBondContact O-N 2.73Å; L98-K100 VanDerWaalsContact C-N 3.3Å
99	M	86.6	Confident	83.9	Confident	21 Å²	21	86.7 Å²	86.7	10%	0.103	43%	0.433	C	S	.	.	H	α-helix	trans	-81.4	-9.9	173.3	-67.4	-170.1	-71.9	0	0	113.5	Y48 L50 V84 A95 L96 R97 V101 L104 L110	Y48-M99 HydrophobicContact CD1-SD 4.14Å; Y48-M99 HydrophobicContact CE1-CG 3.94Å; Y48-M99 HydrophobicContact CE1-SD 3.88Å; L50-M99 HydrophobicContact CD1-CG 4.12Å; V84-M99 HydrophobicContact CB-SD 4.46Å; V84-M99 HydrophobicContact CG1-CE 4.13Å; V84-M99 HydrophobicContact CG1-SD 3.59Å; V84-M99 VanDerWaalsContact CG1-SD 3.59Å; V84-M99 HydrophobicContact CG2-SD 4.12Å; A95-M99 HydrophobicContact CB-CE 4.36Å; A95-M99 WeakPolarHBondContact O-CE 3.34Å; A95-M99 WeakPolarHBondContact O-CG 3.37Å; A95-M99 PolarHBondContact O-N 3.44Å; L96-M99 HydrophobicContact CD2-CE 4.4Å; L96-M99 CarbonylContact O-C 3.59Å; L96-M99 PolarHBondContact O-N 3.42Å; R97-M99 VanDerWaalsContact C-N 3.3Å; R97-M99 PolarHBondContact O-N 2.57Å; M99-V101 VanDerWaalsContact C-N 3.32Å; M99-V101 HydrophobicContact CB-CG2 3.8Å; M99-V101 HydrophobicContact CE-CG2 4.37Å; M99-L104 HydrophobicContact CE-CD1 4.14Å; M99-L104 HydrophobicContact CE-CD2 4.25Å; M99-L104 HydrophobicContact CE-CG 4.31Å; M99-L110 HydrophobicContact CE-CD1 4.43Å
100	K	86.1	Confident	84.1	Confident	194 Å²	194	81.2 Å²	81.2	84%	0.843	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	42.1	-175.7	-54.1	-179.6	179.6	-178.5	0	112.8	L96 R97 L98	L96-K100 PolarHBondContact O-N 3.27Å; R97-K100 PolarHBondContact O-N 2.93Å; R97-K100 VanDerWaalsContact O-N 3.14Å; L98-K100 VanDerWaalsContact C-N 3.3Å
101	V	83.8	Confident	84.2	Confident	40 Å²	40	81 Å²	81	24%	0.242	40%	0.398	C	S	.	.			trans	-127.9	142.5	176.5	-65.7	0	0	0	0	110.2	L77 L96 M99	L77-V101 HydrophobicContact CD2-CG1 4.04Å; L77-V101 HydrophobicContact CD2-CG2 4.37Å; L96-V101 CarbonylContact C-O 3.54Å; L96-V101 WeakPolarHBondContact CB-O 3.46Å; L96-V101 HydrophobicContact CD2-CG2 3.76Å; L96-V101 PolarHBondContact O-N 2.97Å; L96-V101 VanDerWaalsContact O-N 3.12Å; M99-V101 VanDerWaalsContact C-N 3.32Å; M99-V101 HydrophobicContact CB-CG2 3.8Å; M99-V101 HydrophobicContact CE-CG2 4.37Å
102	D	75.4	Confident	84.4	Confident	159 Å²	159	80.7 Å²	80.7	85%	0.85	39%	0.393	S	S	*	.	S	Bend	trans	-78.8	-30.5	179.2	-63.1	-39.8	0	0	0	111.9
103	R	79.1	Confident	84.7	Confident	216 Å²	216	79.1 Å²	79.1	82%	0.815	38%	0.382	S	S	*	.	S	Bend	trans	-149	148.8	176.7	-60.9	-172.6	-172.2	-151.5	1.5	110.3
104	L	81.4	Confident	85	Confident	22 Å²	22	76.7 Å²	76.7	12%	0.115	37%	0.371	C	S	.	.			trans	-76.9	149.3	169.1	-81.8	128.1	0	0	0	110.6	V84 L96 M99 V108 L110 L134	V84-L104 HydrophobicContact CB-CD2 4.39Å; V84-L104 HydrophobicContact CG2-CD2 3.75Å; L96-L104 HydrophobicContact CD2-CD1 3.68Å; L96-L104 HydrophobicContact CD2-CG 4.04Å; M99-L104 HydrophobicContact CE-CD1 4.14Å; M99-L104 HydrophobicContact CE-CD2 4.25Å; M99-L104 HydrophobicContact CE-CG 4.31Å; L104-V108 HydrophobicContact CD2-CB 4.21Å; L104-V108 HydrophobicContact CD2-CG1 3.77Å; L104-L110 HydrophobicContact CD1-CB 3.85Å; L104-L110 HydrophobicContact CD1-CD1 4.41Å; L104-L110 HydrophobicContact CD1-CD2 3.84Å; L104-L110 HydrophobicContact CD1-CG 4.24Å; L104-L134 HydrophobicContact CB-CD1 4.39Å; L104-L134 HydrophobicContact CD1-CD1 3.7Å
105	P	80.6	Confident	85.3	Confident	69 Å²	69	70.7 Å²	70.7	45%	0.448	35%	0.348	S	S	.	.			trans	-60.9	147.6	170	-14.5	27.4	0	0	0	111	D107 V108	P105-D107 PolarHBondContact O-N 3.41Å; P105-D107 VanDerWaalsContact O-N 3.09Å; P105-V108 HydrophobicContact CB-CG2 3.93Å; P105-V108 HydrophobicContact CG-CG2 3.91Å; P105-V108 PolarHBondContact O-N 3.27Å
106	S	72.9	Confident	85.4	Confident	124 Å²	124	70.7 Å²	70.7	87%	0.867	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.3	-173.4	-51.1	0	0	0	0	114.5
107	D	78.9	Confident	85.5	Confident	141 Å²	141	71.3 Å²	71.3	75%	0.754	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	7.2	-177.4	-52.7	-40.9	0	0	0	113.1	P105	P105-D107 PolarHBondContact O-N 3.41Å; P105-D107 VanDerWaalsContact O-N 3.09Å
108	V	86.6	Confident	85.5	Confident	16 Å²	16	64.9 Å²	64.9	10%	0.097	34%	0.335	C	S	.	.			trans	-112.9	120.5	-176.6	-174.2	0	0	0	0	111.1	V81 T82 V84 L104 P105	V81-V108 HydrophobicContact CG1-CG1 4.25Å; V81-V108 WeakPolarHBondContact O-CG2 3.31Å; T82-V108 WeakPolarHBondContact O-CA 3.47Å; V84-V108 HydrophobicContact CG2-CG1 3.82Å; L104-V108 HydrophobicContact CD2-CB 4.21Å; L104-V108 HydrophobicContact CD2-CG1 3.77Å; P105-V108 HydrophobicContact CB-CG2 3.93Å; P105-V108 HydrophobicContact CG-CG2 3.91Å; P105-V108 PolarHBondContact O-N 3.27Å
109	H	88	Confident	85.5	Confident	72 Å²	72	61.1 Å²	61.1	33%	0.333	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.3	179.5	-59.6	93.1	0	0	0	111.2	T82 H83 V84 V111 E128	T82-H109 PolarHBondContact O-N 2.76Å; H83-H109 CarbonylContact C-O 3.53Å; H83-H109 WeakPolarHBondContact CA-O 3.36Å; H83-H109 AromaticContact NE2-ND1 3.94Å; V84-H109 PolarHBondContact N-O 2.87Å; H109-V111 HydrophobicContact CB-CG1 4.06Å; H109-E128 HydrophobicContact CB-CG 4.43Å
110	L	89.6	Confident	85.5	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.4	171.5	179.3	66.7	0	0	0	109.5	V84 V86 A95 M99 L104 S132 L133 L134	V84-L110 HydrophobicContact CB-CD1 3.83Å; V84-L110 HydrophobicContact CG1-CD1 3.62Å; V86-L110 HydrophobicContact CG1-CD1 3.71Å; V86-L110 HydrophobicContact CG2-CD1 4.34Å; A95-L110 HydrophobicContact CB-CD1 4.28Å; A95-L110 HydrophobicContact CB-CD2 4.19Å; M99-L110 HydrophobicContact CE-CD1 4.43Å; L104-L110 HydrophobicContact CD1-CB 3.85Å; L104-L110 HydrophobicContact CD1-CD1 4.41Å; L104-L110 HydrophobicContact CD1-CD2 3.84Å; L104-L110 HydrophobicContact CD1-CG 4.24Å; L110-S132 WeakPolarHBondContact O-CA 3.5Å; L110-L133 HydrophobicContact CD2-CB 3.89Å; L110-L133 HydrophobicContact CD2-CD1 4.21Å; L110-L133 HydrophobicContact CG-CB 4.1Å; L110-L133 HydrophobicContact CG-CD1 4.2Å; L110-L133 PolarHBondContact O-N 3.37Å; L110-L134 HydrophobicContact CB-CD1 4.3Å; L110-L134 HydrophobicContact CD2-CD1 4.46Å; L110-L134 HydrophobicContact CD2-CG 4.39Å
111	V	90.8	Very high	85.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.7	-171	-62.2	0	0	0	0	112.6	V84 V85 V86 H109 W115 E128 Y131	V84-V111 PolarHBondContact O-N 3.16Å; V85-V111 WeakPolarHBondContact CA-O 3.4Å; V85-V111 HydrophobicContact CG2-CG2 3.84Å; V86-V111 PolarHBondContact N-O 3.17Å; H109-V111 HydrophobicContact CB-CG1 4.06Å; V111-W115 HydrophobicContact CB-CB 4.32Å; V111-W115 HydrophobicContact CB-CG 4.4Å; V111-W115 HydrophobicContact CG2-CB 4.49Å; V111-W115 HydrophobicContact CG2-CD2 4.08Å; V111-W115 HydrophobicContact CG2-CE3 3.74Å; V111-W115 HydrophobicContact CG2-CG 4.43Å; V111-W115 HydrophobicContact CG2-CZ3 4.29Å; V111-E128 HydrophobicContact CG1-CB 4.14Å; V111-E128 HydrophobicContact CG1-CG 4.34Å; V111-Y131 WeakPolarHBondContact CA-O 3.21Å
112	K	91.4	Very high	85.6	Confident	66 Å²	66	58.9 Å²	58.9	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	153.3	174.6	-64.4	-174.4	175.7	-159.2	0	112.3	V86 D88 T114 W115 Y131 L133	V86-K112 CarbonylContact O-C 3.57Å; D88-K112 HydrophobicContact CB-CD 4.46Å; D88-K112 WeakPolarHBondContact O-CE 3.44Å; D88-K112 PolarHBondContact O-NZ 2.82Å; D88-K112 WeakPolarHBondContact OD1-CB 3.42Å; K112-T114 WeakPolarHBondContact CB-OG1 3.28Å; K112-T114 PolarHBondContact O-N 3.4Å; K112-W115 VanDerWaalsContact O-CB 3.28Å; K112-W115 WeakPolarHBondContact O-CB 3.49Å; K112-W115 PolarHBondContact O-N 3.17Å; K112-Y131 PolarHBondContact N-O 3.47Å; K112-L133 HydrophobicContact CG-CD2 4.33Å; K112-L133 HydrophobicContact CG-CG 4.32Å
113	C	91.7	Very high	86.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-18.5	-179.3	74.6	0	0	0	0	113.7	I54 F62 V85 V86 D88 W115 L116 S117	I54-C113 HydrophobicContact CD1-CB 4.03Å; I54-C113 HydrophobicContact CG1-CB 4.38Å; F62-C113 HydrophobicContact CE2-CB 4.16Å; V85-C113 HydrophobicContact CG1-CB 3.84Å; V86-C113 VanDerWaalsContact O-CB 3.32Å; V86-C113 WeakPolarHBondContact O-CB 3.2Å; V86-C113 PolarHBondContact O-N 3.31Å; D88-C113 PolarHBondContact OD1-N 3.44Å; D88-C113 PolarHBondContact OD1-SG 3.19Å; C113-W115 VanDerWaalsContact C-N 3.31Å; C113-L116 PolarHBondContact O-N 3Å; C113-S117 PolarHBondContact O-N 3.48Å; C113-S117 PolarHBondContact O-OG 3.37Å
114	T	88.5	Confident	86.5	Confident	48 Å²	48	53.4 Å²	53.4	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-55.3	-42.2	165.3	29	0	0	0	0	112.7	D88 K112 L116 S117 L118	D88-T114 VanDerWaalsContact CG-CG2 3.5Å; D88-T114 WeakPolarHBondContact OD1-CB 3.48Å; D88-T114 WeakPolarHBondContact OD1-CG2 3.37Å; D88-T114 PolarHBondContact OD1-N 3.28Å; D88-T114 PolarHBondContact OD1-OG1 3.37Å; D88-T114 WeakPolarHBondContact OD2-CG2 3.3Å; K112-T114 WeakPolarHBondContact CB-OG1 3.28Å; K112-T114 PolarHBondContact O-N 3.4Å; T114-L116 VanDerWaalsContact C-N 3.35Å; T114-L116 PolarHBondContact O-N 3.28Å; T114-S117 PolarHBondContact O-N 2.73Å; T114-L118 WeakPolarHBondContact O-CB 3.44Å; T114-L118 WeakPolarHBondContact O-CG 3.32Å; T114-L118 PolarHBondContact O-N 3.42Å
115	W	92	Very high	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-48.9	175.6	174.9	86.8	0	0	0	111.3	F42 H83 V111 K112 C113 S117 L118 C119 V125 L126 E128 Y131	F42-W115 HydrophobicContact CE1-CH2 4.29Å; F42-W115 HydrophobicContact CE1-CZ3 4.44Å; H83-W115 AromaticContact CD2-CH2 3.39Å; H83-W115 WeakPolarHBondContact CD2-CH2 3.38Å; H83-W115 AromaticContact CD2-CZ2 3.75Å; H83-W115 AromaticContact CD2-CZ3 3.87Å; H83-W115 AromaticContact CG-CH2 3.97Å; H83-W115 AromaticContact NE2-CH2 3.57Å; H83-W115 AromaticContact NE2-CZ2 3.61Å; V111-W115 HydrophobicContact CB-CB 4.32Å; V111-W115 HydrophobicContact CB-CG 4.4Å; V111-W115 HydrophobicContact CG2-CB 4.49Å; V111-W115 HydrophobicContact CG2-CD2 4.08Å; V111-W115 HydrophobicContact CG2-CE3 3.74Å; V111-W115 HydrophobicContact CG2-CG 4.43Å; V111-W115 HydrophobicContact CG2-CZ3 4.29Å; K112-W115 VanDerWaalsContact O-CB 3.28Å; K112-W115 WeakPolarHBondContact O-CB 3.49Å; K112-W115 PolarHBondContact O-N 3.17Å; C113-W115 VanDerWaalsContact C-N 3.31Å; W115-S117 VanDerWaalsContact C-N 3.31Å; W115-S117 PolarHBondContact O-N 2.85Å; W115-L118 PolarHBondContact O-N 3.06Å; W115-C119 VanDerWaalsContact CE2-SG 3.52Å; W115-C119 WeakPolarHBondContact O-CB 3.48Å; W115-C119 PolarHBondContact O-N 3.32Å; W115-C119 PolarHBondContact O-SG 3.3Å; W115-V125 HydrophobicContact CH2-CG1 4.21Å; W115-V125 HydrophobicContact CZ2-CG1 3.59Å; W115-L126 PolarHBondContact NE1-O 3.07Å; W115-E128 HydrophobicContact CZ2-CG 4.25Å; W115-Y131 HydrophobicContact CB-CD1 4.16Å; W115-Y131 HydrophobicContact CB-CD2 4.32Å; W115-Y131 HydrophobicContact CB-CG 3.82Å; W115-Y131 AromaticContact CD1-CD2 3.66Å; W115-Y131 HydrophobicContact CG-CD2 4.4Å; W115-Y131 HydrophobicContact CG-CG 4.33Å
116	L	89.3	Confident	86.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-40.2	179.6	-175.4	67.1	0	0	0	111.4	F42 L49 F62 I66 V85 C113 T114 L118 C119 I120	F42-L116 HydrophobicContact CE1-CD1 4.05Å; F42-L116 HydrophobicContact CE2-CD1 4.38Å; F42-L116 HydrophobicContact CZ-CD1 3.63Å; L49-L116 HydrophobicContact CD2-CD2 4.01Å; F62-L116 HydrophobicContact CB-CD2 3.82Å; F62-L116 HydrophobicContact CD1-CD2 3.66Å; F62-L116 HydrophobicContact CD1-CG 4.14Å; F62-L116 HydrophobicContact CD2-CD2 3.88Å; F62-L116 HydrophobicContact CE1-CD2 4.12Å; F62-L116 HydrophobicContact CE1-CG 4.31Å; F62-L116 HydrophobicContact CE2-CD2 4.3Å; F62-L116 HydrophobicContact CG-CD2 3.53Å; F62-L116 HydrophobicContact CG-CG 4.49Å; F62-L116 HydrophobicContact CZ-CD2 4.41Å; I66-L116 HydrophobicContact CD1-CD1 4.05Å; I66-L116 HydrophobicContact CD1-CD2 3.86Å; I66-L116 HydrophobicContact CG1-CD1 3.9Å; I66-L116 HydrophobicContact CG1-CD2 4.39Å; V85-L116 HydrophobicContact CG1-CB 4.29Å; V85-L116 HydrophobicContact CG1-CD2 4.24Å; V85-L116 HydrophobicContact CG2-CB 4.49Å; V85-L116 HydrophobicContact CG2-CD2 4.5Å; C113-L116 PolarHBondContact O-N 3Å; T114-L116 VanDerWaalsContact C-N 3.35Å; T114-L116 PolarHBondContact O-N 3.28Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-C119 PolarHBondContact O-N 3.28Å; L116-I120 HydrophobicContact CD1-CD1 4.4Å; L116-I120 HydrophobicContact CG-CD1 4.08Å; L116-I120 WeakPolarHBondContact O-CD1 3.39Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.39Å; L116-I120 PolarHBondContact O-N 2.83Å; L116-I120 VanDerWaalsContact O-N 3.11Å
117	S	89.3	Confident	87.4	Confident	36 Å²	36	51 Å²	51	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.7	-53.4	0	0	0	0	111.3	R58 F62 C113 T114 W115 S121	R58-S117 PolarHBondContact NH2-OG 3.01Å; F62-S117 WeakPolarHBondContact CZ-OG 3.42Å; C113-S117 PolarHBondContact O-N 3.48Å; C113-S117 PolarHBondContact O-OG 3.37Å; T114-S117 PolarHBondContact O-N 2.73Å; W115-S117 VanDerWaalsContact C-N 3.31Å; W115-S117 PolarHBondContact O-N 2.85Å; S117-S121 WeakPolarHBondContact O-CB 3.27Å; S117-S121 PolarHBondContact O-N 3.22Å
118	L	86	Confident	87.4	Confident	58 Å²	58	46.3 Å²	46.3	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-70.2	-41.8	179.5	-71.7	170.1	0	0	0	112.1	T114 W115 L116 I120 S121 E122 L126 Y131	T114-L118 WeakPolarHBondContact O-CB 3.44Å; T114-L118 WeakPolarHBondContact O-CG 3.32Å; T114-L118 PolarHBondContact O-N 3.42Å; W115-L118 PolarHBondContact O-N 3.06Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L118-I120 VanDerWaalsContact C-N 3.3Å; L118-I120 PolarHBondContact O-N 3.49Å; L118-S121 WeakPolarHBondContact CA-OG 3.18Å; L118-S121 PolarHBondContact O-N 3.46Å; L118-S121 VanDerWaalsContact O-N 3.08Å; L118-S121 PolarHBondContact O-OG 2.97Å; L118-E122 WeakPolarHBondContact O-CB 3.48Å; L118-E122 PolarHBondContact O-N 3.21Å; L118-L126 HydrophobicContact CB-CD1 3.47Å; L118-L126 VanDerWaalsContact CB-CD1 3.47Å; L118-Y131 HydrophobicContact CD1-CE1 3.75Å; L118-Y131 VanDerWaalsContact CD1-OH 3.29Å; L118-Y131 WeakPolarHBondContact CD1-OH 3.48Å
119	C	87.4	Confident	86.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-42.5	175.6	-68.3	0	0	0	0	112	F41 F42 W115 L116 K123 K124 L126	F41-C119 WeakPolarHBondContact CE2-O 3.27Å; F42-C119 HydrophobicContact CE1-CB 3.99Å; F42-C119 HydrophobicContact CZ-CB 3.57Å; W115-C119 VanDerWaalsContact CE2-SG 3.52Å; W115-C119 WeakPolarHBondContact O-CB 3.48Å; W115-C119 PolarHBondContact O-N 3.32Å; W115-C119 PolarHBondContact O-SG 3.3Å; L116-C119 PolarHBondContact O-N 3.28Å; C119-K123 WeakPolarHBondContact O-CA 3.49Å; C119-K123 PolarHBondContact O-N 3.44Å; C119-K124 CarbonylContact C-O 3.6Å; C119-K124 WeakPolarHBondContact CA-O 3.17Å; C119-K124 VanDerWaalsContact CB-O 3.3Å; C119-K124 WeakPolarHBondContact CB-O 3.38Å; C119-K124 PolarHBondContact O-N 3.39Å; C119-L126 PolarHBondContact SG-N 2.93Å
120	I	87.6	Confident	85.8	Confident	35 Å²	35	55.8 Å²	55.8	18%	0.179	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-42.1	175.2	-67.3	163.4	0	0	0	110.8	F42 F62 Q65 L116 L118 K123	F42-I120 HydrophobicContact CE2-CG1 3.82Å; F42-I120 HydrophobicContact CZ-CG1 4.19Å; F62-I120 HydrophobicContact CD1-CD1 3.88Å; F62-I120 HydrophobicContact CE1-CD1 4.2Å; Q65-I120 HydrophobicContact CB-CD1 3.71Å; Q65-I120 HydrophobicContact CB-CG1 4.33Å; Q65-I120 HydrophobicContact CG-CD1 4.37Å; L116-I120 HydrophobicContact CD1-CD1 4.4Å; L116-I120 HydrophobicContact CG-CD1 4.08Å; L116-I120 WeakPolarHBondContact O-CD1 3.39Å; L116-I120 VanDerWaalsContact O-CG1 3.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.39Å; L116-I120 PolarHBondContact O-N 2.83Å; L116-I120 VanDerWaalsContact O-N 3.11Å; L118-I120 VanDerWaalsContact C-N 3.3Å; L118-I120 PolarHBondContact O-N 3.49Å; I120-K123 PolarHBondContact O-N 2.98Å
121	S	85.3	Confident	85.1	Confident	81 Å²	81	58.7 Å²	58.7	57%	0.566	30%	0.297	S	S	*	.	H	α-helix	trans	-68.6	-38.8	-178.3	77	0	0	0	0	113.2	S117 L118	S117-S121 WeakPolarHBondContact O-CB 3.27Å; S117-S121 PolarHBondContact O-N 3.22Å; L118-S121 WeakPolarHBondContact CA-OG 3.18Å; L118-S121 PolarHBondContact O-N 3.46Å; L118-S121 VanDerWaalsContact O-N 3.08Å; L118-S121 PolarHBondContact O-OG 2.97Å
122	E	84.8	Confident	84.7	Confident	93 Å²	93	60.3 Å²	60.3	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-89	-6.4	-179.2	-65.9	-168	-151.7	0	0	112.8	L118 K124 L126	L118-E122 WeakPolarHBondContact O-CB 3.48Å; L118-E122 PolarHBondContact O-N 3.21Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 HydrophobicContact CB-CG 4.01Å; E122-K124 PolarHBondContact O-N 3.36Å; E122-K124 WeakPolarHBondContact OE2-CE 3.46Å; E122-K124 IonicContact OE2-NZ 2.72Å; E122-K124 PolarHBondContact OE2-NZ 2.92Å; E122-L126 WeakPolarHBondContact OE2-CD2 3.46Å
123	K	86.3	Confident	83.8	Confident	157 Å²	157	59 Å²	59	68%	0.683	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	37	-177.9	-55.4	-178.6	178.9	-177.7	0	113.6	F41 C119 I120	F41-K123 HydrophobicContact CD1-CB 4.23Å; F41-K123 HydrophobicContact CE1-CB 3.99Å; F41-K123 HydrophobicContact CE1-CG 4.42Å; F41-K123 WeakPolarHBondContact CG-O 3.04Å; F41-K123 HydrophobicContact CZ-CB 4.41Å; C119-K123 WeakPolarHBondContact O-CA 3.49Å; C119-K123 PolarHBondContact O-N 3.44Å; I120-K123 PolarHBondContact O-N 2.98Å
124	K	87.8	Confident	82.6	Confident	103 Å²	103	62.5 Å²	62.5	45%	0.448	32%	0.323	S	S	.	.	S	Bend	trans	-152.4	156	175.7	58.8	172.4	170.2	159.8	0	110.1	C119 E122 L126	C119-K124 CarbonylContact C-O 3.6Å; C119-K124 WeakPolarHBondContact CA-O 3.17Å; C119-K124 VanDerWaalsContact CB-O 3.3Å; C119-K124 WeakPolarHBondContact CB-O 3.38Å; C119-K124 PolarHBondContact O-N 3.39Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 HydrophobicContact CB-CG 4.01Å; E122-K124 PolarHBondContact O-N 3.36Å; E122-K124 WeakPolarHBondContact OE2-CE 3.46Å; E122-K124 IonicContact OE2-NZ 2.72Å; E122-K124 PolarHBondContact OE2-NZ 2.92Å; K124-L126 HydrophobicContact CD-CD2 4.13Å; K124-L126 HydrophobicContact CG-CD2 4.12Å
125	V	85.7	Confident	80.6	Confident	55 Å²	55	67.7 Å²	67.7	33%	0.333	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-73	129.3	167.9	-169.4	0	0	0	0	108.6	F41 F42 V45 W115	F41-V125 WeakPolarHBondContact O-CG2 3.35Å; F42-V125 HydrophobicContact CD1-CG2 4.22Å; V45-V125 HydrophobicContact CG2-CG2 4.24Å; W115-V125 HydrophobicContact CH2-CG1 4.21Å; W115-V125 HydrophobicContact CZ2-CG1 3.59Å
126	L	85.4	Confident	78.2	Confident	22 Å²	22	73.2 Å²	73.2	12%	0.115	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-97.2	152.9	178.2	-64.4	176.2	0	0	0	110.3	W115 L118 C119 E122 K124 E128	W115-L126 PolarHBondContact NE1-O 3.07Å; L118-L126 HydrophobicContact CB-CD1 3.47Å; L118-L126 VanDerWaalsContact CB-CD1 3.47Å; C119-L126 PolarHBondContact SG-N 2.93Å; E122-L126 WeakPolarHBondContact OE2-CD2 3.46Å; K124-L126 HydrophobicContact CD-CD2 4.13Å; K124-L126 HydrophobicContact CG-CD2 4.12Å; L126-E128 PolarHBondContact O-N 3.39Å
127	D	82.4	Confident	75.6	Confident	88 Å²	88	82.3 Å²	82.3	47%	0.471	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-56.9	133.6	174.2	178.9	37.6	0	0	0	111.7	Y131	D127-Y131 WeakPolarHBondContact O-CD2 3.32Å
128	E	78.6	Confident	72.8	Confident	42 Å²	42	92.1 Å²	92.1	20%	0.196	46%	0.455	C	S	.	.	S	Bend	trans	-82.9	-15.2	-169.9	-55.6	84.4	178.2	0	0	113.1	H83 H109 V111 W115 L126 N130 Y131 S132	H83-E128 IonicContact NE2-OE1 3.34Å; H83-E128 PolarHBondContact NE2-OE1 3.46Å; H109-E128 HydrophobicContact CB-CG 4.43Å; V111-E128 HydrophobicContact CG1-CB 4.14Å; V111-E128 HydrophobicContact CG1-CG 4.34Å; W115-E128 HydrophobicContact CZ2-CG 4.25Å; L126-E128 PolarHBondContact O-N 3.39Å; E128-N130 VanDerWaalsContact C-N 3.35Å; E128-N130 PolarHBondContact O-N 2.99Å; E128-Y131 CarbonylContact O-C 3.58Å; E128-Y131 PolarHBondContact O-N 3.15Å; E128-S132 WeakPolarHBondContact O-CB 3.31Å; E128-S132 PolarHBondContact O-N 3.49Å
129	E	70.6	Confident	70.2	Confident	150 Å²	150	96.8 Å²	96.8	70%	0.701	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.4	-170.7	-70.4	-168.1	168.7	0	0	113.9	Y131	E129-Y131 VanDerWaalsContact C-N 3.26Å; E129-Y131 PolarHBondContact O-N 3.23Å
130	N	70.9	Confident	67.5	Low	136 Å²	136	102.1 Å²	102.1	73%	0.727	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.4	-179.3	-68.5	-58.7	0	0	0	113.9	E128	E128-N130 VanDerWaalsContact C-N 3.35Å; E128-N130 PolarHBondContact O-N 2.99Å
131	Y	76.4	Confident	64.9	Low	62 Å²	62	109.6 Å²	109.6	24%	0.243	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-125.4	-6.8	-173.5	-52	-83.5	0	0	0	113.3	V111 K112 W115 L118 D127 E128 E129	V111-Y131 WeakPolarHBondContact CA-O 3.21Å; K112-Y131 PolarHBondContact N-O 3.47Å; W115-Y131 HydrophobicContact CB-CD1 4.16Å; W115-Y131 HydrophobicContact CB-CD2 4.32Å; W115-Y131 HydrophobicContact CB-CG 3.82Å; W115-Y131 AromaticContact CD1-CD2 3.66Å; W115-Y131 HydrophobicContact CG-CD2 4.4Å; W115-Y131 HydrophobicContact CG-CG 4.33Å; L118-Y131 HydrophobicContact CD1-CE1 3.75Å; L118-Y131 VanDerWaalsContact CD1-OH 3.29Å; L118-Y131 WeakPolarHBondContact CD1-OH 3.48Å; D127-Y131 WeakPolarHBondContact O-CD2 3.32Å; E128-Y131 CarbonylContact O-C 3.58Å; E128-Y131 PolarHBondContact O-N 3.15Å; E129-Y131 VanDerWaalsContact C-N 3.26Å; E129-Y131 PolarHBondContact O-N 3.23Å
132	S	80.8	Confident	62.1	Low	35 Å²	35	111.6 Å²	111.6	25%	0.245	57%	0.565	C	S	.	*	B	Isolated β-bridge	trans	-70.8	135.4	176.2	-176.8	0	0	0	0	111.1	L110 E128 L134	L110-S132 WeakPolarHBondContact O-CA 3.5Å; E128-S132 WeakPolarHBondContact O-CB 3.31Å; E128-S132 PolarHBondContact O-N 3.49Å; S132-L134 VanDerWaalsContact C-N 3.34Å; S132-L134 PolarHBondContact OG-N 2.94Å; S132-L134 VanDerWaalsContact OG-N 3.16Å; S132-L134 PolarHBondContact OG-O 3.26Å
133	L	72.5	Confident	59.5	Low	39 Å²	39	116.7 Å²	116.7	20%	0.204	59%	0.586	C	S	.	*	S	Bend	trans	-88.3	-5	172	-70.3	174	0	0	0	112.9	V86 M90 L110 K112	V86-L133 HydrophobicContact CG2-CD1 3.46Å; V86-L133 VanDerWaalsContact CG2-CD1 3.46Å; M90-L133 WeakPolarHBondContact O-CD1 3.43Å; L110-L133 HydrophobicContact CD2-CB 3.89Å; L110-L133 HydrophobicContact CD2-CD1 4.21Å; L110-L133 HydrophobicContact CG-CB 4.1Å; L110-L133 HydrophobicContact CG-CD1 4.2Å; L110-L133 PolarHBondContact O-N 3.37Å; K112-L133 HydrophobicContact CG-CD2 4.33Å; K112-L133 HydrophobicContact CG-CG 4.32Å
134	L	66.6	Low	56.7	Low	72 Å²	72	117.8 Å²	117.8	38%	0.377	59%	0.593	S	S	.	*	S	Bend	trans	-119.8	108.6	176	-66.1	172.6	0	0	0	108.5	L104 L110 S132	L104-L134 HydrophobicContact CB-CD1 4.39Å; L104-L134 HydrophobicContact CD1-CD1 3.7Å; L110-L134 HydrophobicContact CB-CD1 4.3Å; L110-L134 HydrophobicContact CD2-CD1 4.46Å; L110-L134 HydrophobicContact CD2-CG 4.39Å; S132-L134 VanDerWaalsContact C-N 3.34Å; S132-L134 PolarHBondContact OG-N 2.94Å; S132-L134 VanDerWaalsContact OG-N 3.16Å; S132-L134 PolarHBondContact OG-O 3.26Å
135	L	48	Very low	53.8	Low	157 Å²	157	121 Å²	121	82%	0.822	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-72.2	134.4	172.7	-71.3	165.1	0	0	0	109.6	K137	L135-K137 PolarHBondContact O-N 3.23Å
136	P	40.8	Very low	50.8	Low	116 Å²	116	123.6 Å²	123.6	75%	0.753	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-65.1	123.8	168.4	-13.3	26.8	0	0	0	109.1	R138	P136-R138 PolarHBondContact O-N 3.11Å
137	K	35.3	Very low	47.9	Very low	191 Å²	191	128.7 Å²	128.7	83%	0.83	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-65.3	121.6	167.2	-75.1	-177.7	176.6	-177.5	0	108	L135 D139	L135-K137 PolarHBondContact O-N 3.23Å; K137-D139 PolarHBondContact O-N 3.32Å; K137-D139 VanDerWaalsContact O-N 3.15Å
138	R	29.4	Very low	45.2	Very low	242 Å²	242	132.7 Å²	132.7	91%	0.913	68%	0.678	S	S	*	*			trans	-69.8	103.1	162.6	-78.7	-177.7	-178.7	171.7	1	107.9	P136	P136-R138 PolarHBondContact O-N 3.11Å
139	D	31	Very low	42.6	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	71%	0.705	S	S	*	*			trans	-74.9	120.5	155.6	-72	-36	0	0	0	107.5	K137	K137-D139 PolarHBondContact O-N 3.32Å; K137-D139 VanDerWaalsContact O-N 3.15Å
140	S	31.1	Very low	40.5	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	71%	0.708	S	S	*	*			trans	-134.2	114.2	161	60.9	0	0	0	0	108.8
141	E	33.1	Very low	38.4	Very low	193 Å²	193	140.1 Å²	140.1	90%	0.902	71%	0.71	S	S	*	*			trans	-54.1	146.8	172.5	-58.5	171.7	136.6	0	0	112.3
142	S	26.5	Very low	36	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	73%	0.731	S	S	*	*				-159.1	115	127.5	46.8	0	0	0	0	110.5
143	K	30.8	Very low	33.4	Very low	200 Å²	200	147.8 Å²	147.8	87%	0.87	76%	0.755	S	S	*	*			trans	-101.6	123.2	148.9	-85.2	-174.4	176.1	-178.2	0	106.4
144	H	28	Very low	31.2	Very low	181 Å²	181	152.5 Å²	152.5	84%	0.838	78%	0.781	S	S	*	*				-171.6	139.8	128.6	-107.5	-68.8	0	0	0	111.3
145	E	25.2	Very low	29.2	Very low	171 Å²	171	153.9 Å²	153.9	80%	0.799	79%	0.792	S	S	*	*			trans	-61.1	150.2	178.2	-64	156.2	124.5	0	0	113.9
146	S	23.6	Very low	28	Very low	108 Å²	108	155 Å²	155	76%	0.755	79%	0.794	S	S	*	*				-179.5	115	119.6	26.1	0	0	0	0	112.2
147	T	24	Very low	27.4	Very low	129 Å²	129	158.2 Å²	158.2	79%	0.791	80%	0.798	S	S	*	*			trans	48.1	136.8	133.3	41.5	0	0	0	0	124.2
148	E	25.7	Very low	27.4	Very low	173 Å²	173	154.8 Å²	154.8	81%	0.808	80%	0.795	S	S	*	*			trans	103.7	98.3	143.3	-79.3	174.1	-161.7	0	0	120.6
149	D	24.5	Very low	27.2	Very low	142 Å²	142	147.6 Å²	147.6	76%	0.759	79%	0.788	S	S	*	*				66.3	108.1	115.6	-95.3	2.1	0	0	0	121.4
150	K	26.3	Very low	26.9	Very low	176 Å²	176	148.7 Å²	148.7	77%	0.765	79%	0.788	S	S	*	*				169	115	104.5	-93.3	173.6	-174.6	-179.6	0	114.5
151	Q	26.5	Very low	26.6	Very low	165 Å²	165	149 Å²	149	77%	0.771	79%	0.785	S	S	*	*				63.4	110.7	122.6	-78.9	-179.6	-13.2	0	0	119.8
152	S	26.8	Very low	26.2	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	78%	0.779	S	S	*	*				95.5	141.2	94.6	60.6	0	0	0	0	110.6
153	E	26.4	Very low	26.6	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.762	77%	0.774	S	S	*	*			cis	-172.5	143.2	21.5	-118	163.7	-169.9	0	0	104.4
154	N	25.1	Very low	26.3	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	77%	0.774	S	S	*	*				-179	120.9	82	-95.5	-35.9	0	0	0	111.3
155	T	24.9	Very low	26.7	Very low	102 Å²	102	140.9 Å²	140.9	63%	0.626	77%	0.765	S	S	*	*				30	139.7	109.9	-9.6	0	0	0	0	118.1
156	E	24.2	Very low	26.6	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	76%	0.764	S	S	*	*			cis	-171.2	164.2	6.7	-127.7	167.1	-160.6	0	0	109.6
157	H	26.7	Very low	26.6	Very low	182 Å²	182	140.9 Å²	140.9	84%	0.843	77%	0.765	S	S	*	*			trans	-73.2	-177.7	174.5	-86.3	-63.3	0	0	0	113.2
158	P	36.2	Very low	26.5	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	77%	0.767	S	S	*	*			cis	-157.2	171.2	32.9	41.8	-16.9	0	0	0	121.9
159	A	25.6	Very low	26.4	Very low	92 Å²	92	143.6 Å²	143.6	76%	0.76	77%	0.773	S	S	*	*			trans	42.8	137.5	138	0	0	0	0	0	125.5
160	E	24.1	Very low	26.3	Very low	179 Å²	179	143.7 Å²	143.7	84%	0.836	77%	0.772	S	S	*	*				173.5	110	119.1	-94.2	-174.8	167.4	0	0	110.1
161	T	24.3	Very low	26	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.724	77%	0.773	S	S	*	*				58.2	133	100.2	46.6	0	0	0	0	114.9
162	T	25.4	Very low	25.8	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	78%	0.779	S	S	*	*			cis	176.5	-171.8	18.3	9.6	0	0	0	0	105.9
163	P	35.3	Very low	25.6	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	79%	0.789	S	S	*	*			cis	-134.7	177.9	-43.5	36.5	-16.9	0	0	0	115
164	E	23.5	Very low	25.5	Very low	182 Å²	182	148.9 Å²	148.9	85%	0.85	79%	0.794	S	S	*	*			trans	-46.3	-177.8	160.5	-88.6	-172.4	168.5	0	0	117.4
165	P	35.6	Very low	25.5	Very low	101 Å²	101	148.7 Å²	148.7	66%	0.656	80%	0.798	S	S	*	*			cis	-141.7	-171.3	26.1	43.7	-21.4	0	0	0	114.8
166	E	23.7	Very low	25.4	Very low	168 Å²	168	149.7 Å²	149.7	79%	0.785	80%	0.804	S	S	*	*			cis	-174.7	126.4	46.4	-124.2	164.3	-148	0	0	106.8
167	S	22.9	Very low	25.5	Very low	111 Å²	111	149 Å²	149	78%	0.776	81%	0.805	S	S	*	*				90.4	147.3	90.9	93.2	0	0	0	0	117.7
168	L	22.6	Very low	25.3	Very low	157 Å²	157	147 Å²	147	82%	0.822	80%	0.801	S	S	*	*			trans	-86	153.5	-159.1	-64.5	144	0	0	0	114.7
169	H	24.4	Very low	24.7	Very low	202 Å²	202	148.3 Å²	148.3	94%	0.935	80%	0.8	S	S	*	*			trans	-155.2	150.7	132.4	-123.6	9.2	0	0	0	115.2
170	L	21.2	Very low	24.5	Very low	144 Å²	144	149.7 Å²	149.7	75%	0.754	80%	0.799	S	S	*	*			trans	-108.6	161	-162.1	-109.1	156.9	0	0	0	111.7
171	T	21.1	Very low	24.6	Very low	127 Å²	127	147.9 Å²	147.9	78%	0.779	79%	0.793	S	S	*	*			trans	83.7	109.7	159.2	60.6	0	0	0	0	120.8
172	K	22.7	Very low	24.6	Very low	208 Å²	208	147.7 Å²	147.7	90%	0.904	79%	0.794	S	S	*	*				-171	136.3	101.9	-110.2	177.2	178.2	177.3	0	111.2
173	Q	22	Very low	24.5	Very low	187 Å²	187	151.3 Å²	151.3	87%	0.874	80%	0.799	S	S	*	*			trans	-68.6	135.4	169.3	-75.8	169.3	-42	0	0	110.4
174	E	22.9	Very low	24	Very low	187 Å²	187	149.8 Å²	149.8	87%	0.874	80%	0.797	S	S	*	*			trans	-140.2	128.9	145.8	-111.7	175.5	-170.7	0	0	108.9
175	V	25.8	Very low	24	Very low	132 Å²	132	150.1 Å²	150.1	80%	0.8	80%	0.798	S	S	*	*			trans	-85.5	115.5	-177.4	171.8	0	0	0	0	107.7
176	T	23.3	Very low	23.5	Very low	124 Å²	124	153.3 Å²	153.3	76%	0.761	80%	0.804	S	S	*	*			trans	-127.2	116.5	163.2	48.6	0	0	0	0	109.4	D178	T176-D178 PolarHBondContact O-N 3.43Å; T176-D178 VanDerWaalsContact O-N 3.13Å
177	L	26.4	Very low	23.6	Very low	165 Å²	165	154.1 Å²	154.1	86%	0.864	81%	0.808	S	S	*	*			trans	-61.3	103.3	169.1	-82.9	141.7	0	0	0	109.2
178	D	21.9	Very low	23.6	Very low	142 Å²	142	151.7 Å²	151.7	76%	0.759	80%	0.795	S	S	*	*			trans	-99.5	107	167.5	-121.1	-15.5	0	0	0	108.9	T176 T180	T176-D178 PolarHBondContact O-N 3.43Å; T176-D178 VanDerWaalsContact O-N 3.13Å; D178-T180 VanDerWaalsContact C-N 3.31Å; D178-T180 PolarHBondContact O-N 3.2Å; D178-T180 VanDerWaalsContact O-N 3.12Å
179	I	24.3	Very low	23.8	Very low	146 Å²	146	147.6 Å²	147.6	75%	0.749	78%	0.779	S	S	*	*			trans	-78.9	89.4	168.4	-62.3	175	0	0	0	106.1	I181	I179-I181 HydrophobicContact CG2-CG1 4.45Å; I179-I181 PolarHBondContact O-N 3.17Å
180	T	21.6	Very low	23.8	Very low	121 Å²	121	149.2 Å²	149.2	74%	0.742	78%	0.777	S	S	*	*			trans	-71.8	98.5	170.5	-43.2	0	0	0	0	108.5	D178 P182	D178-T180 VanDerWaalsContact C-N 3.31Å; D178-T180 PolarHBondContact O-N 3.2Å; D178-T180 VanDerWaalsContact O-N 3.12Å; T180-P182 WeakPolarHBondContact O-CD 3.31Å
181	I	25.3	Very low	24.3	Very low	140 Å²	140	147.7 Å²	147.7	72%	0.718	77%	0.766	S	S	*	*			trans	-65.1	122.7	165.9	-61.1	171.6	0	0	0	106.9	I179 K183	I179-I181 HydrophobicContact CG2-CG1 4.45Å; I179-I181 PolarHBondContact O-N 3.17Å; I181-K183 PolarHBondContact O-N 3.43Å; I181-K183 VanDerWaalsContact O-N 3.14Å
182	P	24.9	Very low	24.9	Very low	115 Å²	115	150 Å²	150	75%	0.747	77%	0.768	S	S	*	*			trans	-63.5	121.3	174.5	-16.5	29.5	0	0	0	108.8	T180 A184	T180-P182 WeakPolarHBondContact O-CD 3.31Å; P182-A184 PolarHBondContact O-N 2.78Å; P182-A184 VanDerWaalsContact O-N 3.09Å
183	K	22.2	Very low	25.5	Very low	202 Å²	202	142.9 Å²	142.9	88%	0.878	74%	0.74	S	S	*	*			trans	-48.9	114.1	167	-138	174.6	-176.7	179.8	0	107.1	I181 E185	I181-K183 PolarHBondContact O-N 3.43Å; I181-K183 VanDerWaalsContact O-N 3.14Å; K183-E185 PolarHBondContact O-N 3.23Å; K183-E185 VanDerWaalsContact O-N 3.12Å
184	A	24.7	Very low	26.4	Very low	85 Å²	85	135.9 Å²	135.9	70%	0.702	72%	0.718	S	S	*	*			trans	-60.4	116.9	171	0	0	0	0	0	107	P182 E186	P182-A184 PolarHBondContact O-N 2.78Å; P182-A184 VanDerWaalsContact O-N 3.09Å; A184-E186 VanDerWaalsContact C-N 3.33Å; A184-E186 PolarHBondContact O-N 3.44Å
185	E	24.3	Very low	27.8	Very low	189 Å²	189	127.5 Å²	127.5	88%	0.883	68%	0.679	S	S	*	*			trans	-58	103.8	163.1	-69.4	177.9	163.6	0	0	106.3	K183 E187	K183-E185 PolarHBondContact O-N 3.23Å; K183-E185 VanDerWaalsContact O-N 3.12Å; E185-E187 PolarHBondContact O-N 3.24Å; E185-E187 VanDerWaalsContact O-N 3.16Å
186	E	25.7	Very low	29.4	Very low	167 Å²	167	123 Å²	123	78%	0.78	65%	0.654	S	S	*	*			trans	-59	116.1	168.4	-77.2	179.5	145.2	0	0	106.8	A184 A188	A184-E186 VanDerWaalsContact C-N 3.33Å; A184-E186 PolarHBondContact O-N 3.44Å; E186-A188 PolarHBondContact O-N 2.9Å
187	E	25.1	Very low	31	Very low	185 Å²	185	122.2 Å²	122.2	86%	0.864	64%	0.642	S	S	*	*			trans	-59.6	84.7	167.2	-77.2	-175.3	162.4	0	0	108	E185 S189	E185-E187 PolarHBondContact O-N 3.24Å; E185-E187 VanDerWaalsContact O-N 3.16Å; E187-S189 PolarHBondContact O-N 3.29Å
188	A	22.8	Very low	32.3	Very low	60 Å²	60	116.1 Å²	116.1	50%	0.496	61%	0.613	S	S	.	*			trans	-53.2	124	156.2	0	0	0	0	0	106.4	E186 R190	E186-A188 PolarHBondContact O-N 2.9Å; A188-R190 PolarHBondContact O-N 3.17Å
189	S	26.5	Very low	33.9	Very low	72 Å²	72	110.7 Å²	110.7	50%	0.503	58%	0.584	S	S	.	*			trans	-61.6	83.4	178.3	57.6	0	0	0	0	110.2	E187 E191	E187-S189 PolarHBondContact O-N 3.29Å; S189-E191 PolarHBondContact O-N 3.22Å
190	R	25	Very low	35.6	Very low	235 Å²	235	104.8 Å²	104.8	89%	0.887	55%	0.554	S	S	*	*			trans	-71.3	87.5	153.6	-71.3	-177.6	179.5	177.2	1.1	105.4	A188 E192	A188-R190 PolarHBondContact O-N 3.17Å; R190-E192 PolarHBondContact O-N 3.1Å
191	E	31.6	Very low	37.3	Very low	112 Å²	112	103 Å²	103	52%	0.523	54%	0.537	S	S	.	.			trans	-66.1	90.9	168.5	-69.4	-170	-177.9	0	0	107.2	S189	S189-E191 PolarHBondContact O-N 3.22Å
192	E	34.1	Very low	38.8	Very low	177 Å²	177	96.9 Å²	96.9	83%	0.827	51%	0.507	S	S	*	.			trans	-52.3	142.1	159.6	-78.6	-165.1	147.6	0	0	108.4	R190 G194	R190-E192 PolarHBondContact O-N 3.1Å; E192-G194 WeakPolarHBondContact O-CA 3.44Å; E192-G194 PolarHBondContact O-N 2.79Å
193	D	35.6	Very low	40.3	Very low	57 Å²	57	92.8 Å²	92.8	31%	0.305	48%	0.479	S	S	.	.			trans	-46	71	175.9	-91.4	-30.4	0	0	0	113.2	V195 S525 S527 K542	D193-V195 PolarHBondContact O-N 2.91Å; D193-S525 PolarHBondContact OD2-OG 3.28Å; D193-S527 WeakPolarHBondContact OD1-CB 3.43Å; D193-K542 IonicContact OD2-NZ 3.59Å; D193-K542 PolarHBondContact OD2-NZ 3.45Å
194	G	40.5	Very low	41.6	Very low	40 Å²	40	85.6 Å²	85.6	41%	0.412	45%	0.45	S	S	.	.			trans	-78.9	80.5	-151.8	0	0	0	0	0	113.3	E192	E192-G194 WeakPolarHBondContact O-CA 3.44Å; E192-G194 PolarHBondContact O-N 2.79Å
195	V	52.9	Low	42.8	Very low	11 Å²	11	84.9 Å²	84.9	7%	0.067	44%	0.437	C	S	.	.			trans	-134.1	100.6	158.2	-178	0	0	0	0	106.4	D193 D199 L200 L203 R516 A517 K520	D193-V195 PolarHBondContact O-N 2.91Å; V195-D199 HydrophobicContact CB-CB 4.43Å; V195-D199 HydrophobicContact CG1-CB 3.58Å; V195-L200 HydrophobicContact CG1-CB 4.16Å; V195-L203 HydrophobicContact CG1-CD1 4.46Å; V195-R516 HydrophobicContact CG2-CB 3.67Å; V195-A517 HydrophobicContact CG1-CB 3.87Å; V195-A517 HydrophobicContact CG2-CB 4.48Å; V195-K520 PolarHBondContact O-NZ 2.96Å
196	S	57.8	Low	43.8	Very low	37 Å²	37	77 Å²	77	26%	0.259	41%	0.407	S	S	.	.			trans	-61.9	167.4	175.7	77	0	0	0	0	110.6	S198 D199 L200 W273	S196-S198 PolarHBondContact O-N 3.37Å; S196-S198 PolarHBondContact OG-N 3.28Å; S196-S198 PolarHBondContact OG-OG 3.31Å; S196-D199 PolarHBondContact N-OD2 2.89Å; S196-D199 PolarHBondContact O-N 2.9Å; S196-D199 PolarHBondContact OG-N 3.31Å; S196-D199 PolarHBondContact OG-OD2 3.31Å; S196-L200 PolarHBondContact O-N 3.02Å; S196-W273 WeakPolarHBondContact OG-CH2 3.09Å
197	Q	57.1	Low	44.5	Very low	108 Å²	108	78.1 Å²	78.1	51%	0.505	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-34.3	172.8	-172.7	166.5	-9.8	0	0	111.6	L200 E201	Q197-L200 PolarHBondContact O-N 3.21Å; Q197-E201 WeakPolarHBondContact O-CB 3.44Å; Q197-E201 PolarHBondContact O-N 2.81Å
198	S	54.3	Low	45.1	Very low	37 Å²	37	74.9 Å²	74.9	26%	0.259	39%	0.388	S	S	.	.	H	α-helix	trans	-68.5	-35.5	173.1	52.6	0	0	0	0	113.1	S196 L200 A202 W273	S196-S198 PolarHBondContact O-N 3.37Å; S196-S198 PolarHBondContact OG-N 3.28Å; S196-S198 PolarHBondContact OG-OG 3.31Å; S198-L200 VanDerWaalsContact C-N 3.35Å; S198-A202 WeakPolarHBondContact O-CB 3.41Å; S198-A202 PolarHBondContact O-N 3.02Å; S198-W273 WeakPolarHBondContact OG-CH2 3.21Å; S198-W273 WeakPolarHBondContact OG-CZ3 3.35Å
199	D	55.3	Low	45.5	Very low	28 Å²	28	75.3 Å²	75.3	15%	0.15	39%	0.386	C	S	.	.	H	α-helix	trans	-63.8	-44.1	171.8	-71.5	-40.2	0	0	0	110.7	V195 S196 L203 W273	V195-D199 HydrophobicContact CB-CB 4.43Å; V195-D199 HydrophobicContact CG1-CB 3.58Å; S196-D199 PolarHBondContact N-OD2 2.89Å; S196-D199 PolarHBondContact O-N 2.9Å; S196-D199 PolarHBondContact OG-N 3.31Å; S196-D199 PolarHBondContact OG-OD2 3.31Å; D199-L203 VanDerWaalsContact O-CB 3.25Å; D199-L203 WeakPolarHBondContact O-CB 3.48Å; D199-L203 WeakPolarHBondContact O-CD1 3.2Å; D199-L203 WeakPolarHBondContact O-CG 3.5Å; D199-L203 PolarHBondContact O-N 2.76Å; D199-W273 WeakPolarHBondContact OD1-CH2 3.33Å; D199-W273 WeakPolarHBondContact OD1-CZ3 3.35Å
200	L	59.6	Low	45.8	Very low	23 Å²	23	79.4 Å²	79.4	12%	0.12	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-48.1	178.4	-176.6	64.2	0	0	0	111.1	V195 S196 Q197 S198 L203 L204 W238 A517 K520 T521	V195-L200 HydrophobicContact CG1-CB 4.16Å; S196-L200 PolarHBondContact O-N 3.02Å; Q197-L200 PolarHBondContact O-N 3.21Å; S198-L200 VanDerWaalsContact C-N 3.35Å; L200-L203 CarbonylContact O-C 3.46Å; L200-L203 PolarHBondContact O-N 2.9Å; L200-L204 HydrophobicContact CD1-CD1 4.04Å; L200-L204 HydrophobicContact CD1-CG 4.34Å; L200-L204 HydrophobicContact CD2-CD1 4.35Å; L200-L204 HydrophobicContact CG-CD1 3.73Å; L200-L204 HydrophobicContact CG-CG 4.42Å; L200-L204 VanDerWaalsContact O-CB 3.26Å; L200-L204 WeakPolarHBondContact O-CB 3.36Å; L200-L204 VanDerWaalsContact O-CG 3.25Å; L200-L204 WeakPolarHBondContact O-CG 3.31Å; L200-L204 PolarHBondContact O-N 3.36Å; L200-W238 HydrophobicContact CD1-CH2 4.06Å; L200-A517 HydrophobicContact CD1-CB 3.82Å; L200-A517 VanDerWaalsContact CD1-O 3.24Å; L200-A517 WeakPolarHBondContact CD1-O 3.33Å; L200-K520 HydrophobicContact CD2-CD 3.89Å; L200-K520 HydrophobicContact CD2-CG 4Å; L200-T521 HydrophobicContact CD1-CG2 3.8Å
201	E	58.7	Low	46.3	Very low	82 Å²	82	77.8 Å²	77.8	38%	0.383	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-42.2	178.4	-170.2	178	-178.2	0	0	111.6	Q197 L203 L204 T205	Q197-E201 WeakPolarHBondContact O-CB 3.44Å; Q197-E201 PolarHBondContact O-N 2.81Å; E201-L203 VanDerWaalsContact C-N 3.26Å; E201-L203 PolarHBondContact O-N 2.82Å; E201-L204 PolarHBondContact O-N 2.59Å; E201-T205 HydrophobicContact CG-CG2 4.11Å; E201-T205 WeakPolarHBondContact O-CB 3.43Å; E201-T205 PolarHBondContact O-N 2.9Å; E201-T205 PolarHBondContact O-OG1 3.09Å
202	A	56.6	Low	46.2	Very low	12 Å²	12	80.7 Å²	80.7	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-69.1	-23.6	175.3	0	0	0	0	0	112.9	S198 K280	S198-A202 WeakPolarHBondContact O-CB 3.41Å; S198-A202 PolarHBondContact O-N 3.02Å; A202-K280 PolarHBondContact O-NZ 3.13Å
203	L	55.7	Low	45.8	Very low	29 Å²	29	78.8 Å²	78.8	15%	0.152	41%	0.412	C	S	.	.	H	α-helix	trans	-81.6	-32.8	171.1	-74.4	166.2	0	0	0	111.5	V195 D199 L200 E201 W238 A517	V195-L203 HydrophobicContact CG1-CD1 4.46Å; D199-L203 VanDerWaalsContact O-CB 3.25Å; D199-L203 WeakPolarHBondContact O-CB 3.48Å; D199-L203 WeakPolarHBondContact O-CD1 3.2Å; D199-L203 WeakPolarHBondContact O-CG 3.5Å; D199-L203 PolarHBondContact O-N 2.76Å; L200-L203 CarbonylContact O-C 3.46Å; L200-L203 PolarHBondContact O-N 2.9Å; E201-L203 VanDerWaalsContact C-N 3.26Å; E201-L203 PolarHBondContact O-N 2.82Å; L203-W238 HydrophobicContact CB-CZ3 3.93Å; L203-A517 HydrophobicContact CB-CB 4.48Å; L203-A517 HydrophobicContact CD1-CB 3.33Å
204	L	49.9	Very low	45.6	Very low	51 Å²	51	82.3 Å²	82.3	27%	0.267	44%	0.438	S	S	.	.	H	α-helix	trans	-81.2	-35.8	-179.3	-80.4	169.5	0	0	0	113.8	L200 E201 K237 W238 T521	L200-L204 HydrophobicContact CD1-CD1 4.04Å; L200-L204 HydrophobicContact CD1-CG 4.34Å; L200-L204 HydrophobicContact CD2-CD1 4.35Å; L200-L204 HydrophobicContact CG-CD1 3.73Å; L200-L204 HydrophobicContact CG-CG 4.42Å; L200-L204 VanDerWaalsContact O-CB 3.26Å; L200-L204 WeakPolarHBondContact O-CB 3.36Å; L200-L204 VanDerWaalsContact O-CG 3.25Å; L200-L204 WeakPolarHBondContact O-CG 3.31Å; L200-L204 PolarHBondContact O-N 3.36Å; E201-L204 PolarHBondContact O-N 2.59Å; L204-K237 WeakPolarHBondContact O-CE 3.41Å; L204-K237 PolarHBondContact O-NZ 3.03Å; L204-W238 HydrophobicContact CD2-CH2 3.53Å; L204-W238 HydrophobicContact CD2-CZ2 3.34Å; L204-W238 HydrophobicContact CG-CH2 3.77Å; L204-W238 HydrophobicContact CG-CZ2 4.12Å; L204-T521 HydrophobicContact CD1-CG2 4.15Å; L204-T521 HydrophobicContact CD2-CG2 4.14Å; L204-T521 HydrophobicContact CG-CG2 4.49Å
205	T	49.1	Very low	44.9	Very low	71 Å²	71	84.1 Å²	84.1	44%	0.436	46%	0.456	S	S	.	.	S	Bend	trans	-109.6	-15.8	-170.4	66	0	0	0	0	112.6	E201 R207	E201-T205 HydrophobicContact CG-CG2 4.11Å; E201-T205 WeakPolarHBondContact O-CB 3.43Å; E201-T205 PolarHBondContact O-N 2.9Å; E201-T205 PolarHBondContact O-OG1 3.09Å; T205-R207 PolarHBondContact O-N 3.28Å; T205-R207 VanDerWaalsContact O-N 3.1Å; T205-R207 PolarHBondContact OG1-N 2.98Å; T205-R207 PolarHBondContact OG1-O 3.17Å
206	G	45.1	Very low	43.6	Very low	24 Å²	24	88.6 Å²	88.6	25%	0.247	49%	0.488	C	S	.	.	S	Bend	trans	61	11.6	-169.6	0	0	0	0	0	113.4
207	R	40.9	Very low	41.9	Very low	189 Å²	189	92.2 Å²	92.2	71%	0.713	51%	0.512	S	S	*	.	S	Bend	trans	-116.3	148.6	179.6	-66.4	-178.4	179.7	-174.7	1.8	109.5	T205	T205-R207 PolarHBondContact O-N 3.28Å; T205-R207 VanDerWaalsContact O-N 3.1Å; T205-R207 PolarHBondContact OG1-N 2.98Å; T205-R207 PolarHBondContact OG1-O 3.17Å
208	H	37	Very low	40.4	Very low	117 Å²	117	93.2 Å²	93.2	54%	0.542	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-76.5	142.6	165.3	-75	-75.7	0	0	0	108.8	K210	H208-K210 PolarHBondContact O-N 3.36Å
209	P	31.3	Very low	39.1	Very low	69 Å²	69	99.3 Å²	99.3	45%	0.448	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-58.3	127.4	173.1	-18.3	29.6	0	0	0	109.5
210	K	33.4	Very low	37.7	Very low	159 Å²	159	103.3 Å²	103.3	69%	0.691	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-104	140.3	152.6	-76.2	-172.9	175.6	-172.9	0	106.4	H208 E212	H208-K210 PolarHBondContact O-N 3.36Å; K210-E212 PolarHBondContact O-N 3.47Å
211	E	35.3	Very low	36.4	Very low	200 Å²	200	108.4 Å²	108.4	94%	0.935	62%	0.617	S	S	*	*			trans	-55.3	115.5	161.9	-70.3	168.4	158.2	0	0	108.7
212	E	29.1	Very low	35.2	Very low	173 Å²	173	110.2 Å²	110.2	81%	0.808	64%	0.636	S	S	*	*			trans	-137.7	135.4	160.2	-71.6	-171.8	-173.9	0	0	109.8	K210	K210-E212 PolarHBondContact O-N 3.47Å
213	T	27.2	Very low	33.7	Very low	138 Å²	138	117 Å²	117	85%	0.847	67%	0.671	S	S	*	*			trans	-63.3	158.1	-172.2	22.3	0	0	0	0	115.7
214	P	31.5	Very low	32.6	Very low	131 Å²	131	120.7 Å²	120.7	85%	0.851	71%	0.705	S	S	*	*			trans	-84.6	134.7	-171.2	34.4	-33.9	0	0	0	113.1
215	G	25.9	Very low	31.6	Very low	77 Å²	77	122.5 Å²	122.5	79%	0.794	73%	0.728	S	S	*	*			trans	-132.9	98.2	172.4	0	0	0	0	0	112.3
216	S	24.2	Very low	30.5	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	75%	0.748	S	S	*	*			trans	36.3	120.8	147	-157.4	0	0	0	0	122.7
217	C	22.4	Very low	30	Very low	112 Å²	112	129.2 Å²	129.2	76%	0.757	77%	0.773	S	S	*	*			trans	62.1	138.9	134.8	-62.7	0	0	0	0	119.2
218	T	25.1	Very low	29.6	Very low	130 Å²	130	125 Å²	125	80%	0.798	78%	0.78	S	S	*	*			cis	-154.5	155.2	40.2	40.7	0	0	0	0	112.4
219	N	28.1	Very low	29.3	Very low	165 Å²	165	128.4 Å²	128.4	88%	0.882	80%	0.795	S	S	*	*			trans	-64.3	139	171.2	-71.1	-34	0	0	0	112.5
220	S	26.2	Very low	29.7	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	81%	0.814	S	S	*	*			trans	-157.5	115.6	146.3	18.1	0	0	0	0	109.7
221	V	32.1	Very low	29.9	Very low	130 Å²	130	129 Å²	129	79%	0.788	81%	0.812	S	S	*	*			trans	-75.2	146.1	166.9	178	0	0	0	0	108
222	P	33.3	Very low	30.2	Very low	121 Å²	121	128.5 Å²	128.5	79%	0.786	81%	0.807	S	S	*	*			trans	-123.7	146	138.6	6.1	14.9	0	0	0	112.9
223	D	25.8	Very low	30.9	Very low	155 Å²	155	124.4 Å²	124.4	83%	0.829	80%	0.795	S	S	*	*			trans	-59	158.7	-173.9	-76.1	-52.3	0	0	0	116.4	A225	D223-A225 PolarHBondContact O-N 3.47Å
224	A	32.3	Very low	32.1	Very low	105 Å²	105	121.1 Å²	121.1	87%	0.868	77%	0.772	S	S	*	*			trans	-70.1	115.6	169.5	0	0	0	0	0	112
225	A	27.6	Very low	32.9	Very low	90 Å²	90	120 Å²	120	74%	0.744	77%	0.767	S	S	*	*			trans	-174.4	117.3	141.2	0	0	0	0	0	109.1	D223	D223-A225 PolarHBondContact O-N 3.47Å
226	T	26.9	Very low	34.5	Very low	140 Å²	140	118.5 Å²	118.5	86%	0.859	75%	0.752	S	S	*	*				159.6	105.2	129.3	-54.4	0	0	0	0	107.7
227	A	33.7	Very low	36.8	Very low	95 Å²	95	118.9 Å²	118.9	79%	0.785	74%	0.74	S	S	*	*			trans	-73.3	150.4	169.4	0	0	0	0	0	110.2
228	A	33.4	Very low	39.7	Very low	102 Å²	102	114 Å²	114	84%	0.843	71%	0.706	S	S	*	*			trans	84.4	68.5	173.1	0	0	0	0	0	117.4
229	E	30.1	Very low	42.5	Very low	187 Å²	187	109 Å²	109	87%	0.874	68%	0.675	S	S	*	*			trans	-119.3	124.7	148.6	-79.8	-170.3	154.2	0	0	110	Q231	E229-Q231 PolarHBondContact O-N 2.8Å; E229-Q231 VanDerWaalsContact O-N 3.12Å
230	A	39.6	Very low	45.4	Very low	101 Å²	101	101.1 Å²	101.1	84%	0.835	63%	0.633	S	S	*	*			trans	-58	114.5	172.6	0	0	0	0	0	109.4	K232	A230-K232 PolarHBondContact O-N 2.96Å
231	Q	38.9	Very low	48.3	Very low	140 Å²	140	96.1 Å²	96.1	65%	0.654	60%	0.598	S	S	*	*			trans	-56	114	179.9	-69	179	8.5	0	0	109.9	E229	E229-Q231 PolarHBondContact O-N 2.8Å; E229-Q231 VanDerWaalsContact O-N 3.12Å
232	K	40.3	Very low	50.9	Low	190 Å²	190	93.2 Å²	93.2	83%	0.826	58%	0.576	S	S	*	*			trans	-55.8	133.6	168.3	-81.1	176.5	178.5	170.2	0	108.7	A230 I234	A230-K232 PolarHBondContact O-N 2.96Å; K232-I234 PolarHBondContact O-N 3.38Å
233	P	44.5	Very low	53.5	Low	87 Å²	87	88.2 Å²	88.2	57%	0.565	54%	0.544	S	S	*	.			trans	-60.5	130.3	-176.8	22.4	-31.4	0	0	0	110.2	S235	P233-S235 VanDerWaalsContact C-N 3.26Å; P233-S235 PolarHBondContact O-N 3.44Å
234	I	52.7	Low	56.2	Low	68 Å²	68	81.2 Å²	81.2	35%	0.349	51%	0.507	S	S	.	.			trans	-72.2	87.3	174.9	-58	172.3	0	0	0	107.1	K232 G562	K232-I234 PolarHBondContact O-N 3.38Å; I234-G562 PolarHBondContact N-O 2.99Å
235	S	48.6	Very low	58.4	Low	107 Å²	107	81.2 Å²	81.2	75%	0.748	49%	0.489	S	S	*	.			trans	-88.4	135.7	177.7	-170	0	0	0	0	110.5	P233	P233-S235 VanDerWaalsContact C-N 3.26Å; P233-S235 PolarHBondContact O-N 3.44Å
236	G	59	Low	60	Low	47 Å²	47	81.6 Å²	81.6	49%	0.485	49%	0.485	S	S	.	.	S	Bend	trans	108.7	-27	160.1	0	0	0	0	0	117.6	Q242	G236-Q242 PolarHBondContact O-NE2 3.4Å
237	K	72.4	Confident	61.8	Low	114 Å²	114	76.9 Å²	76.9	50%	0.496	45%	0.453	S	S	.	.	S	Bend	trans	-91.2	-35.3	-174.1	-172.1	172.7	-179.2	173.3	0	115.2	L204	L204-K237 WeakPolarHBondContact O-CE 3.41Å; L204-K237 PolarHBondContact O-NZ 3.03Å
238	W	83	Confident	63	Low	8 Å²	8	78.4 Å²	78.4	3%	0.03	45%	0.453	C	S	.	.			trans	-102.6	135.1	-168.6	-63.4	99	0	0	0	111.9	L200 L203 L204 C240 A241 A517 L518 T521	L200-W238 HydrophobicContact CD1-CH2 4.06Å; L203-W238 HydrophobicContact CB-CZ3 3.93Å; L204-W238 HydrophobicContact CD2-CH2 3.53Å; L204-W238 HydrophobicContact CD2-CZ2 3.34Å; L204-W238 HydrophobicContact CG-CH2 3.77Å; L204-W238 HydrophobicContact CG-CZ2 4.12Å; W238-C240 PolarHBondContact O-N 3.32Å; W238-A241 HydrophobicContact CB-CB 4.26Å; W238-A241 WeakPolarHBondContact O-CB 3.38Å; W238-A241 PolarHBondContact O-N 3.03Å; W238-A517 HydrophobicContact CH2-CB 4.18Å; W238-A517 HydrophobicContact CZ3-CB 3.65Å; W238-L518 HydrophobicContact CD2-CB 4.17Å; W238-L518 HydrophobicContact CD2-CD1 4.35Å; W238-L518 HydrophobicContact CE3-CB 4.36Å; W238-L518 HydrophobicContact CG-CD1 4.34Å; W238-L518 HydrophobicContact CZ2-CD1 4.31Å; W238-T521 HydrophobicContact CH2-CG2 3.82Å; W238-T521 HydrophobicContact CZ2-CG2 3.69Å
239	V	83.8	Confident	65.2	Low	26 Å²	26	78.5 Å²	78.5	16%	0.158	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-52.4	-44.3	174.4	158.2	0	0	0	0	111.5	A241 Q242 S514 W573	V239-A241 PolarHBondContact O-N 2.95Å; V239-Q242 PolarHBondContact O-N 2.86Å; V239-S514 PolarHBondContact N-OG 3.3Å; V239-W573 HydrophobicContact CB-CD2 4.31Å; V239-W573 HydrophobicContact CB-CE3 4.42Å; V239-W573 HydrophobicContact CG1-CB 3.51Å; V239-W573 HydrophobicContact CG1-CD2 3.34Å; V239-W573 HydrophobicContact CG1-CE3 3.77Å; V239-W573 HydrophobicContact CG1-CG 3.22Å; V239-W573 HydrophobicContact CG2-CD2 4.28Å; V239-W573 HydrophobicContact CG2-CE3 3.89Å; V239-W573 HydrophobicContact CG2-CZ3 4.09Å
240	C	88.8	Confident	67.9	Low	0 Å²	0	71.6 Å²	71.6	0%	0	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-66.4	-16.6	179.1	62.1	0	0	0	0	115.3	W238 F511 S514 M515	W238-C240 PolarHBondContact O-N 3.32Å; C240-F511 VanDerWaalsContact CA-CE2 3.49Å; C240-F511 HydrophobicContact CB-CD2 3.99Å; C240-F511 HydrophobicContact CB-CE2 3.66Å; C240-F511 HydrophobicContact CB-CZ 4.01Å; C240-F511 WeakPolarHBondContact O-CE2 3.38Å; C240-S514 PolarHBondContact N-OG 3.34Å; C240-S514 VanDerWaalsContact N-OG 3.12Å; C240-S514 PolarHBondContact SG-OG 3.1Å; C240-M515 HydrophobicContact CB-CG 3.56Å; C240-M515 HydrophobicContact CB-SD 3.4Å; C240-M515 WeakPolarHBondContact CB-SD 3.27Å; C240-M515 VanDerWaalsContact SG-SD 3.66Å
241	A	88.7	Confident	70.4	Confident	5 Å²	5	70.9 Å²	70.9	4%	0.041	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-88.3	-8.8	175	0	0	0	0	0	112.6	W238 V239 I563 R566	W238-A241 HydrophobicContact CB-CB 4.26Å; W238-A241 WeakPolarHBondContact O-CB 3.38Å; W238-A241 PolarHBondContact O-N 3.03Å; V239-A241 PolarHBondContact O-N 2.95Å; A241-I563 HydrophobicContact CB-CB 4.37Å; A241-I563 HydrophobicContact CB-CG2 4.01Å; A241-R566 PolarHBondContact O-NE 3Å; A241-R566 PolarHBondContact O-NH2 3.4Å
242	Q	85.7	Confident	73	Confident	70 Å²	70	64.2 Å²	64.2	33%	0.327	36%	0.355	S	S	.	.	S	Bend	trans	-108.9	142.7	-174.6	-62.5	178.6	12.2	0	0	112	G236 V239 W573	G236-Q242 PolarHBondContact O-NE2 3.4Å; V239-Q242 PolarHBondContact O-N 2.86Å; Q242-W573 HydrophobicContact CB-CZ2 3.86Å; Q242-W573 PolarHBondContact O-NE1 3.3Å
243	S	87.4	Confident	75.6	Confident	15 Å²	15	60.8 Å²	60.8	11%	0.105	34%	0.34	C	S	.	.			trans	-70.5	131.3	172.1	179.4	0	0	0	0	110.4	Q245 E570	S243-Q245 VanDerWaalsContact C-N 3.25Å; S243-Q245 PolarHBondContact O-N 3.48Å; S243-Q245 WeakPolarHBondContact OG-CB 3.41Å; S243-Q245 PolarHBondContact OG-N 3.05Å; S243-Q245 VanDerWaalsContact OG-N 3.09Å; S243-E570 VanDerWaalsContact CB-OE2 3.31Å; S243-E570 WeakPolarHBondContact CB-OE2 3.5Å; S243-E570 VanDerWaalsContact OG-CG 3.28Å; S243-E570 WeakPolarHBondContact OG-CG 3.1Å; S243-E570 PolarHBondContact OG-OE2 3.38Å
244	S	83.8	Confident	78	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.063	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-74.2	-13	168.8	53.7	0	0	0	0	113.7	C246 K247 E570 R571 D572	S244-C246 PolarHBondContact O-N 2.92Å; S244-K247 VanDerWaalsContact O-CB 3.24Å; S244-K247 WeakPolarHBondContact O-CB 3.43Å; S244-K247 VanDerWaalsContact O-CG 3.24Å; S244-K247 WeakPolarHBondContact O-CG 3.43Å; S244-K247 PolarHBondContact O-N 2.94Å; S244-K247 VanDerWaalsContact O-N 3.1Å; S244-E570 WeakPolarHBondContact CB-O 3.32Å; S244-E570 PolarHBondContact N-O 3.18Å; S244-E570 WeakPolarHBondContact OG-CA 3.31Å; S244-E570 PolarHBondContact OG-O 3.41Å; S244-R571 PolarHBondContact OG-N 3.17Å; S244-D572 WeakPolarHBondContact CB-O 3.25Å; S244-D572 PolarHBondContact OG-N 3.17Å
245	Q	78.4	Confident	80	Confident	104 Å²	104	57.9 Å²	57.9	49%	0.486	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17	178.3	-67.4	179.8	1.8	0	0	113	S243 K247 T248 E570	S243-Q245 VanDerWaalsContact C-N 3.25Å; S243-Q245 PolarHBondContact O-N 3.48Å; S243-Q245 WeakPolarHBondContact OG-CB 3.41Å; S243-Q245 PolarHBondContact OG-N 3.05Å; S243-Q245 VanDerWaalsContact OG-N 3.09Å; Q245-K247 PolarHBondContact O-N 3.38Å; Q245-T248 WeakPolarHBondContact O-CG2 3.32Å; Q245-T248 PolarHBondContact O-N 2.76Å; Q245-E570 HydrophobicContact CG-CG 4.02Å
246	C	61.4	Low	82.3	Confident	98 Å²	98	52.8 Å²	52.8	66%	0.662	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.5	-8.9	170.1	-58.2	0	0	0	0	113.2	S244	S244-C246 PolarHBondContact O-N 2.92Å
247	K	63.4	Low	84	Confident	41 Å²	41	53.7 Å²	53.7	18%	0.178	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-88.9	15.3	179.9	-57.4	177	-176.4	176.4	0	114.4	S244 Q245 N249 S287 D572 W573	S244-K247 VanDerWaalsContact O-CB 3.24Å; S244-K247 WeakPolarHBondContact O-CB 3.43Å; S244-K247 VanDerWaalsContact O-CG 3.24Å; S244-K247 WeakPolarHBondContact O-CG 3.43Å; S244-K247 PolarHBondContact O-N 2.94Å; S244-K247 VanDerWaalsContact O-N 3.1Å; Q245-K247 PolarHBondContact O-N 3.38Å; K247-N249 PolarHBondContact O-N 3.05Å; K247-S287 WeakPolarHBondContact CE-OG 3.43Å; K247-S287 WeakPolarHBondContact CG-OG 3.43Å; K247-D572 PolarHBondContact NZ-O 3.31Å; K247-W573 VanDerWaalsContact CE-CE3 3.47Å; K247-W573 VanDerWaalsContact CE-CZ3 3.5Å
248	T	59.8	Low	85	Confident	128 Å²	128	50.5 Å²	50.5	79%	0.785	26%	0.262	S	S	*	.	S	Bend	trans	-59.1	-21	-174.3	36.9	0	0	0	0	113.9	Q245	Q245-T248 WeakPolarHBondContact O-CG2 3.32Å; Q245-T248 PolarHBondContact O-N 2.76Å
249	N	78	Confident	85.6	Confident	103 Å²	103	50.1 Å²	50.1	55%	0.551	26%	0.26	S	S	*	.			trans	-132.9	115.4	174.6	-131.1	12.7	0	0	0	112	K247 F251	K247-N249 PolarHBondContact O-N 3.05Å; N249-F251 HydrophobicContact CB-CE1 4.43Å; N249-F251 HydrophobicContact CB-CE2 3.99Å; N249-F251 HydrophobicContact CB-CZ 3.93Å; N249-F251 WeakPolarHBondContact O-CD2 3.32Å; N249-F251 PolarHBondContact O-N 3.23Å
250	N	88.1	Confident	86.1	Confident	43 Å²	43	52.2 Å²	52.2	23%	0.23	27%	0.268	C	S	.	.			trans	-84.6	92.9	173	179	10.8	0	0	0	110	N252 K253 T256 K286	N250-N252 PolarHBondContact O-N 2.95Å; N250-N252 WeakPolarHBondContact OD1-CA 3.33Å; N250-N252 PolarHBondContact OD1-N 3.07Å; N250-K253 PolarHBondContact OD1-N 2.86Å; N250-T256 PolarHBondContact ND2-OG1 2.9Å; N250-K286 HydrophobicContact CB-CG 4.36Å
251	F	91.8	Very high	86.3	Confident	85 Å²	85	55.7 Å²	55.7	37%	0.373	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.4	177.3	-62.6	-77.6	0	0	0	113.9	N249 F288 H289 P291	N249-F251 HydrophobicContact CB-CE1 4.43Å; N249-F251 HydrophobicContact CB-CE2 3.99Å; N249-F251 HydrophobicContact CB-CZ 3.93Å; N249-F251 WeakPolarHBondContact O-CD2 3.32Å; N249-F251 PolarHBondContact O-N 3.23Å; F251-F288 WeakPolarHBondContact CD2-O 3.49Å; F251-H289 WeakPolarHBondContact CE2-O 3.4Å; F251-P291 HydrophobicContact CB-CG 4.07Å
252	N	94.4	Very high	86.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	27.6	-173.4	-61.7	-68.4	0	0	0	111.8	N250 H254 I255 T256 L285 K290 P291 V292	N250-N252 PolarHBondContact O-N 2.95Å; N250-N252 WeakPolarHBondContact OD1-CA 3.33Å; N250-N252 PolarHBondContact OD1-N 3.07Å; N252-H254 VanDerWaalsContact C-N 3.32Å; N252-H254 PolarHBondContact O-N 3.38Å; N252-I255 HydrophobicContact CB-CD1 4.43Å; N252-I255 PolarHBondContact O-N 2.86Å; N252-T256 HydrophobicContact CB-CG2 4.44Å; N252-T256 PolarHBondContact O-N 3.08Å; N252-T256 PolarHBondContact O-OG1 3.36Å; N252-L285 HydrophobicContact CB-CB 4.04Å; N252-L285 HydrophobicContact CB-CD2 4.25Å; N252-L285 PolarHBondContact ND2-O 2.9Å; N252-K290 PolarHBondContact ND2-O 3.14Å; N252-K290 VanDerWaalsContact ND2-O 3.09Å; N252-P291 WeakPolarHBondContact OD1-CA 3.29Å; N252-V292 PolarHBondContact OD1-N 2.86Å
253	K	94.2	Very high	86.8	Confident	119 Å²	119	52.7 Å²	52.7	52%	0.517	28%	0.276	S	S	.	.	H	α-helix	trans	-52.7	-46.4	-176.5	-168.4	176.9	-177.6	-63.9	0	113	N250 I255 T256 D257	N250-K253 PolarHBondContact OD1-N 2.86Å; K253-I255 PolarHBondContact O-N 2.94Å; K253-I255 VanDerWaalsContact O-N 3.16Å; K253-T256 VanDerWaalsContact CA-OG1 3.27Å; K253-T256 WeakPolarHBondContact CA-OG1 3.34Å; K253-T256 PolarHBondContact O-N 3.18Å; K253-T256 PolarHBondContact O-OG1 3.17Å; K253-D257 WeakPolarHBondContact CG-OD1 3.41Å; K253-D257 IonicContact NZ-OD1 3.38Å; K253-D257 PolarHBondContact NZ-OD1 2.87Å; K253-D257 IonicContact NZ-OD2 2.9Å; K253-D257 PolarHBondContact NZ-OD2 3.32Å; K253-D257 WeakPolarHBondContact O-CB 3.39Å; K253-D257 PolarHBondContact O-N 3.33Å
254	H	94	Very high	87	Confident	94 Å²	94	56.6 Å²	56.6	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-28.7	179.2	66.2	-77.7	0	0	0	114.3	N252	N252-H254 VanDerWaalsContact C-N 3.32Å; N252-H254 PolarHBondContact O-N 3.38Å
255	I	96.3	Very high	87.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-85.5	-51.8	173.5	-64.9	151.2	0	0	0	110.5	N252 K253 D257 K258 L259 L285 I312 I315 M316	N252-I255 HydrophobicContact CB-CD1 4.43Å; N252-I255 PolarHBondContact O-N 2.86Å; K253-I255 PolarHBondContact O-N 2.94Å; K253-I255 VanDerWaalsContact O-N 3.16Å; I255-D257 VanDerWaalsContact C-N 3.35Å; I255-D257 PolarHBondContact O-N 3.5Å; I255-K258 PolarHBondContact O-N 3.29Å; I255-K258 VanDerWaalsContact O-N 3.14Å; I255-L259 HydrophobicContact CG2-CD1 3.77Å; I255-L259 HydrophobicContact CG2-CG 4.17Å; I255-L259 PolarHBondContact O-N 3.48Å; I255-L259 VanDerWaalsContact O-N 3.12Å; I255-L285 HydrophobicContact CB-CD1 4.49Å; I255-L285 HydrophobicContact CG2-CD1 3.62Å; I255-I312 HydrophobicContact CD1-CG2 3.89Å; I255-I312 HydrophobicContact CG1-CG2 4.44Å; I255-I312 HydrophobicContact CG2-CG1 3.98Å; I255-I312 HydrophobicContact CG2-CG2 4.34Å; I255-I315 HydrophobicContact CB-CG2 4.42Å; I255-I315 HydrophobicContact CG1-CB 4.39Å; I255-I315 HydrophobicContact CG1-CG2 3.85Å; I255-I315 HydrophobicContact CG2-CD1 4.08Å; I255-M316 HydrophobicContact CD1-CG 4.07Å; I255-M316 HydrophobicContact CD1-SD 4.47Å
256	T	95.3	Very high	88	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-40	-174.2	50.8	0	0	0	0	112.8	N250 N252 K253 K258 L259 E260 V282 L285 K286	N250-T256 PolarHBondContact ND2-OG1 2.9Å; N252-T256 HydrophobicContact CB-CG2 4.44Å; N252-T256 PolarHBondContact O-N 3.08Å; N252-T256 PolarHBondContact O-OG1 3.36Å; K253-T256 VanDerWaalsContact CA-OG1 3.27Å; K253-T256 WeakPolarHBondContact CA-OG1 3.34Å; K253-T256 PolarHBondContact O-N 3.18Å; K253-T256 PolarHBondContact O-OG1 3.17Å; T256-K258 PolarHBondContact O-N 2.73Å; T256-L259 PolarHBondContact O-N 3.38Å; T256-L259 VanDerWaalsContact O-N 3.17Å; T256-E260 WeakPolarHBondContact O-CB 3.3Å; T256-E260 VanDerWaalsContact O-CG 3.31Å; T256-E260 WeakPolarHBondContact O-CG 3.34Å; T256-E260 PolarHBondContact O-N 3.11Å; T256-V282 HydrophobicContact CG2-CG1 4.31Å; T256-L285 HydrophobicContact CG2-CB 3.49Å; T256-L285 VanDerWaalsContact CG2-CB 3.49Å; T256-L285 HydrophobicContact CG2-CD1 4.02Å; T256-L285 HydrophobicContact CG2-CG 4.42Å; T256-K286 HydrophobicContact CG2-CG 4.17Å
257	D	94.7	Very high	89.4	Confident	66 Å²	66	51 Å²	51	35%	0.353	26%	0.26	S	S	.	.	H	α-helix	trans	-55.5	-40	176.8	-70.9	-5.8	0	0	0	111.6	K253 I255 V261	K253-D257 WeakPolarHBondContact CG-OD1 3.41Å; K253-D257 IonicContact NZ-OD1 3.38Å; K253-D257 PolarHBondContact NZ-OD1 2.87Å; K253-D257 IonicContact NZ-OD2 2.9Å; K253-D257 PolarHBondContact NZ-OD2 3.32Å; K253-D257 WeakPolarHBondContact O-CB 3.39Å; K253-D257 PolarHBondContact O-N 3.33Å; I255-D257 VanDerWaalsContact C-N 3.35Å; I255-D257 PolarHBondContact O-N 3.5Å; D257-V261 WeakPolarHBondContact O-CG2 3.49Å
258	K	94.8	Very high	90.7	Very high	46 Å²	46	49.9 Å²	49.9	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-74.2	-41.5	178.7	-68.6	-179.3	-168.4	-74.4	0	112.4	I255 T256 E260 V261 L262 I315 G319 L321 L324	I255-K258 PolarHBondContact O-N 3.29Å; I255-K258 VanDerWaalsContact O-N 3.14Å; T256-K258 PolarHBondContact O-N 2.73Å; K258-E260 VanDerWaalsContact C-N 3.31Å; K258-E260 PolarHBondContact O-N 3.09Å; K258-V261 PolarHBondContact O-N 2.92Å; K258-L262 PolarHBondContact O-N 2.97Å; K258-I315 HydrophobicContact CB-CD1 4.06Å; K258-I315 HydrophobicContact CD-CD1 4.1Å; K258-I315 HydrophobicContact CD-CG1 3.88Å; K258-I315 HydrophobicContact CD-CG2 3.84Å; K258-G319 WeakPolarHBondContact CE-O 3.26Å; K258-G319 PolarHBondContact NZ-O 3.33Å; K258-L321 HydrophobicContact CD-CB 4.45Å; K258-L324 HydrophobicContact CB-CD1 3.92Å; K258-L324 HydrophobicContact CD-CD1 4.34Å; K258-L324 HydrophobicContact CG-CD1 3.96Å
259	L	95.4	Very high	92.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-31.8	178.8	-64.2	-177.2	0	0	0	112	I255 T256 L262 A263 Y278 V282 L285 M308 I312 I315 L321	I255-L259 HydrophobicContact CG2-CD1 3.77Å; I255-L259 HydrophobicContact CG2-CG 4.17Å; I255-L259 PolarHBondContact O-N 3.48Å; I255-L259 VanDerWaalsContact O-N 3.12Å; T256-L259 PolarHBondContact O-N 3.38Å; T256-L259 VanDerWaalsContact O-N 3.17Å; L259-L262 PolarHBondContact O-N 3.39Å; L259-A263 PolarHBondContact O-N 3.02Å; L259-Y278 HydrophobicContact CB-CD1 4.23Å; L259-Y278 HydrophobicContact CD2-CD1 3.93Å; L259-Y278 HydrophobicContact CD2-CE1 3.83Å; L259-V282 HydrophobicContact CB-CG2 3.61Å; L259-L285 HydrophobicContact CD1-CD1 3.74Å; L259-M308 HydrophobicContact CD1-SD 4.09Å; L259-M308 HydrophobicContact CD2-SD 4.11Å; L259-I312 HydrophobicContact CD1-CG1 4.43Å; L259-I315 HydrophobicContact CD2-CD1 4.12Å; L259-I315 HydrophobicContact CG-CD1 4.35Å; L259-L321 HydrophobicContact CD2-CD2 4.23Å
260	E	94.4	Very high	92.6	Very high	70 Å²	70	43.3 Å²	43.3	33%	0.327	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-39.6	174.6	-78.2	179.2	-179.3	0	0	112.4	T256 K258 L262 A263 K264 V282 K286	T256-E260 WeakPolarHBondContact O-CB 3.3Å; T256-E260 VanDerWaalsContact O-CG 3.31Å; T256-E260 WeakPolarHBondContact O-CG 3.34Å; T256-E260 PolarHBondContact O-N 3.11Å; K258-E260 VanDerWaalsContact C-N 3.31Å; K258-E260 PolarHBondContact O-N 3.09Å; E260-L262 VanDerWaalsContact C-N 3.3Å; E260-L262 PolarHBondContact O-N 3.46Å; E260-A263 WeakPolarHBondContact O-CB 3.43Å; E260-A263 PolarHBondContact O-N 2.96Å; E260-K264 WeakPolarHBondContact O-CB 3.46Å; E260-K264 PolarHBondContact O-N 3.43Å; E260-V282 HydrophobicContact CG-CB 4.47Å; E260-V282 HydrophobicContact CG-CG1 3.76Å; E260-V282 HydrophobicContact CG-CG2 3.91Å; E260-V282 WeakPolarHBondContact OE1-CG1 3.37Å; E260-K286 WeakPolarHBondContact OE1-CE 3.45Å; E260-K286 IonicContact OE1-NZ 3.62Å; E260-K286 PolarHBondContact OE1-NZ 3.38Å
261	V	93.2	Very high	92.7	Very high	74 Å²	74	43.1 Å²	43.1	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-43	174.4	176.6	0	0	0	0	110.7	D257 K258 K264 A265 L324 I327	D257-V261 WeakPolarHBondContact O-CG2 3.49Å; K258-V261 PolarHBondContact O-N 2.92Å; V261-K264 PolarHBondContact O-N 3.19Å; V261-A265 WeakPolarHBondContact O-CB 3.4Å; V261-A265 PolarHBondContact O-N 2.64Å; V261-L324 HydrophobicContact CB-CD2 3.9Å; V261-L324 HydrophobicContact CG1-CD2 3.73Å; V261-I327 HydrophobicContact CG1-CD1 3.73Å
262	L	92.3	Very high	92.4	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-41.8	175.3	-72.9	-177.7	0	0	0	112.8	K258 L259 E260 K264 A265 Y266 Y278 L321 K323 L324 I327	K258-L262 PolarHBondContact O-N 2.97Å; L259-L262 PolarHBondContact O-N 3.39Å; E260-L262 VanDerWaalsContact C-N 3.3Å; E260-L262 PolarHBondContact O-N 3.46Å; L262-K264 VanDerWaalsContact C-N 3.25Å; L262-K264 PolarHBondContact O-N 2.77Å; L262-A265 PolarHBondContact O-N 2.66Å; L262-Y266 HydrophobicContact CB-CD2 4.43Å; L262-Y266 HydrophobicContact CB-CE2 4.29Å; L262-Y266 HydrophobicContact CD2-CE2 4.49Å; L262-Y266 WeakPolarHBondContact O-CD2 3.39Å; L262-Y266 PolarHBondContact O-N 3.27Å; L262-Y278 HydrophobicContact CB-CD1 4.12Å; L262-Y278 HydrophobicContact CB-CE1 4Å; L262-Y278 HydrophobicContact CB-CE2 4.5Å; L262-Y278 HydrophobicContact CB-CG 4.42Å; L262-Y278 HydrophobicContact CD1-CD1 4.47Å; L262-Y278 HydrophobicContact CD1-CE1 3.62Å; L262-Y278 HydrophobicContact CG-CE1 4.49Å; L262-L321 HydrophobicContact CD1-CD2 3.36Å; L262-L321 HydrophobicContact CG-CD2 4.33Å; L262-K323 HydrophobicContact CD1-CB 4.29Å; L262-K323 HydrophobicContact CD1-CG 4.19Å; L262-K323 HydrophobicContact CD2-CG 4Å; L262-L324 HydrophobicContact CD2-CD2 3.83Å; L262-L324 HydrophobicContact CG-CD2 3.72Å; L262-I327 HydrophobicContact CD2-CD1 4.11Å; L262-I327 HydrophobicContact CD2-CG1 4.12Å
263	A	92.1	Very high	92.1	Very high	8 Å²	8	53.1 Å²	53.1	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-56.4	-45.1	176.5	0	0	0	0	0	110.8	L259 E260 T267	L259-A263 PolarHBondContact O-N 3.02Å; E260-A263 WeakPolarHBondContact O-CB 3.43Å; E260-A263 PolarHBondContact O-N 2.96Å; A263-T267 PolarHBondContact O-N 3.04Å; A263-T267 PolarHBondContact O-OG1 3.15Å
264	K	91.1	Very high	91.8	Very high	98 Å²	98	53.1 Å²	53.1	43%	0.426	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-47.5	177.2	-169.2	173.1	-179.2	-167.5	0	111.6	E260 V261 L262 Y266 T267 H268 E335	E260-K264 WeakPolarHBondContact O-CB 3.46Å; E260-K264 PolarHBondContact O-N 3.43Å; V261-K264 PolarHBondContact O-N 3.19Å; L262-K264 VanDerWaalsContact C-N 3.25Å; L262-K264 PolarHBondContact O-N 2.77Å; K264-Y266 PolarHBondContact O-N 3.45Å; K264-T267 VanDerWaalsContact O-CB 3.3Å; K264-T267 WeakPolarHBondContact O-CB 3.43Å; K264-T267 PolarHBondContact O-N 2.93Å; K264-T267 VanDerWaalsContact O-N 3.11Å; K264-H268 WeakPolarHBondContact CE-NE2 3.4Å; K264-H268 VanDerWaalsContact CG-NE2 3.27Å; K264-H268 WeakPolarHBondContact CG-NE2 3.44Å; K264-H268 PolarHBondContact O-CD2 3.01Å; K264-H268 PolarHBondContact O-N 2.76Å; K264-H268 VanDerWaalsContact O-N 3.09Å; K264-E335 WeakPolarHBondContact CE-OE1 3.33Å; K264-E335 VanDerWaalsContact CE-OE2 3.31Å; K264-E335 WeakPolarHBondContact CE-OE2 3.39Å; K264-E335 VanDerWaalsContact NZ-CD 3.26Å; K264-E335 IonicContact NZ-OE1 3.27Å; K264-E335 PolarHBondContact NZ-OE1 3.16Å; K264-E335 IonicContact NZ-OE2 3.4Å; K264-E335 PolarHBondContact NZ-OE2 2.99Å
265	A	91.6	Very high	91.6	Very high	6 Å²	6	48.9 Å²	48.9	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-47.7	177.1	0	0	0	0	0	112.7	V261 L262 T267 H268 Q269 I327 V331	V261-A265 WeakPolarHBondContact O-CB 3.4Å; V261-A265 PolarHBondContact O-N 2.64Å; L262-A265 PolarHBondContact O-N 2.66Å; A265-T267 VanDerWaalsContact C-N 3.3Å; A265-T267 PolarHBondContact O-N 3.47Å; A265-H268 PolarHBondContact O-N 3.47Å; A265-Q269 VanDerWaalsContact O-CG 3.26Å; A265-Q269 WeakPolarHBondContact O-CG 3.21Å; A265-Q269 PolarHBondContact O-N 3.27Å; A265-I327 HydrophobicContact CB-CD1 4.43Å; A265-I327 HydrophobicContact CB-CG2 4.29Å; A265-V331 HydrophobicContact CB-CG1 3.77Å; A265-V331 HydrophobicContact CB-CG2 4.36Å
266	Y	92.2	Very high	91.2	Very high	15 Å²	15	50.3 Å²	50.3	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-33	177.7	-73.7	-57.8	0	0	0	112.7	L262 K264 Q269 G270 D271 R274 Y278 K323	L262-Y266 HydrophobicContact CB-CD2 4.43Å; L262-Y266 HydrophobicContact CB-CE2 4.29Å; L262-Y266 HydrophobicContact CD2-CE2 4.49Å; L262-Y266 WeakPolarHBondContact O-CD2 3.39Å; L262-Y266 PolarHBondContact O-N 3.27Å; K264-Y266 PolarHBondContact O-N 3.45Å; Y266-Q269 PolarHBondContact O-N 2.99Å; Y266-G270 PolarHBondContact O-N 3.11Å; Y266-D271 HydrophobicContact CD1-CB 4.15Å; Y266-D271 PolarHBondContact O-N 3.41Å; Y266-R274 HydrophobicContact CD1-CB 4.2Å; Y266-R274 HydrophobicContact CD2-CB 4.07Å; Y266-R274 VanDerWaalsContact CE1-CZ 3.49Å; Y266-R274 HydrophobicContact CE2-CB 4.5Å; Y266-R274 HydrophobicContact CG-CB 3.93Å; Y266-Y278 AromaticContact CD2-CD2 3.81Å; Y266-Y278 HydrophobicContact CD2-CD2 3.81Å; Y266-Y278 AromaticContact CD2-CE2 3.67Å; Y266-Y278 HydrophobicContact CD2-CE2 3.67Å; Y266-Y278 HydrophobicContact CE2-CD2 4.01Å; Y266-Y278 AromaticContact CE2-CE2 3.36Å; Y266-Y278 HydrophobicContact CE2-CE2 3.36Å; Y266-K323 WeakPolarHBondContact OH-CE 3.49Å
267	T	90.9	Very high	90.8	Very high	73 Å²	73	50.7 Å²	50.7	45%	0.448	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-51.8	174.4	-60.1	0	0	0	0	111.1	A263 K264 A265 Q269 G270 A275	A263-T267 PolarHBondContact O-N 3.04Å; A263-T267 PolarHBondContact O-OG1 3.15Å; K264-T267 VanDerWaalsContact O-CB 3.3Å; K264-T267 WeakPolarHBondContact O-CB 3.43Å; K264-T267 PolarHBondContact O-N 2.93Å; K264-T267 VanDerWaalsContact O-N 3.11Å; A265-T267 VanDerWaalsContact C-N 3.3Å; A265-T267 PolarHBondContact O-N 3.47Å; T267-Q269 VanDerWaalsContact C-N 3.28Å; T267-Q269 PolarHBondContact O-N 3.2Å; T267-G270 PolarHBondContact O-N 2.86Å; T267-A275 WeakPolarHBondContact OG1-CB 3.25Å
268	H	90.3	Very high	90.7	Very high	16 Å²	16	48.4 Å²	48.4	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-70.2	-25.9	-178.6	-59.9	-58.2	0	0	0	112.8	K264 A265 G270 L334 E335 T338	K264-H268 WeakPolarHBondContact CE-NE2 3.4Å; K264-H268 VanDerWaalsContact CG-NE2 3.27Å; K264-H268 WeakPolarHBondContact CG-NE2 3.44Å; K264-H268 PolarHBondContact O-CD2 3.01Å; K264-H268 PolarHBondContact O-N 2.76Å; K264-H268 VanDerWaalsContact O-N 3.09Å; A265-H268 PolarHBondContact O-N 3.47Å; H268-G270 PolarHBondContact O-N 3.45Å; H268-L334 HydrophobicContact CB-CB 4.19Å; H268-E335 HydrophobicContact CB-CB 4.48Å; H268-E335 IonicContact NE2-OE2 3.65Å; H268-T338 PolarHBondContact CE1-OG1 3.25Å; H268-T338 PolarHBondContact ND1-OG1 3.34Å
269	Q	89.2	Confident	90.4	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.3	169.8	-69.8	174.7	-0.6	0	0	113.6	A265 Y266 T267 D271 V331 L334 Q349	A265-Q269 VanDerWaalsContact O-CG 3.26Å; A265-Q269 WeakPolarHBondContact O-CG 3.21Å; A265-Q269 PolarHBondContact O-N 3.27Å; Y266-Q269 PolarHBondContact O-N 2.99Å; T267-Q269 VanDerWaalsContact C-N 3.28Å; T267-Q269 PolarHBondContact O-N 3.2Å; Q269-D271 VanDerWaalsContact C-N 3.29Å; Q269-D271 PolarHBondContact O-N 2.83Å; Q269-V331 HydrophobicContact CG-CG2 4.01Å; Q269-L334 HydrophobicContact CG-CD1 4.21Å; Q269-Q349 PolarHBondContact O-NE2 2.95Å
270	G	88	Confident	89.9	Confident	31 Å²	31	49.9 Å²	49.9	32%	0.32	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	7.1	-178.1	0	0	0	0	0	114.8	Y266 T267 H268 K272 A345	Y266-G270 PolarHBondContact O-N 3.11Å; T267-G270 PolarHBondContact O-N 2.86Å; H268-G270 PolarHBondContact O-N 3.45Å; G270-K272 VanDerWaalsContact C-N 3.29Å; G270-K272 PolarHBondContact O-N 2.83Å; G270-A345 VanDerWaalsContact CA-CB 3.49Å
271	D	90.1	Very high	89.7	Confident	39 Å²	39	46.5 Å²	46.5	21%	0.209	23%	0.233	C	C	.	.			trans	-83.1	77.5	173.5	-163.5	-46.8	0	0	0	110.8	Y266 Q269 W273 R274 A275	Y266-D271 HydrophobicContact CD1-CB 4.15Å; Y266-D271 PolarHBondContact O-N 3.41Å; Q269-D271 VanDerWaalsContact C-N 3.29Å; Q269-D271 PolarHBondContact O-N 2.83Å; D271-W273 PolarHBondContact O-N 3Å; D271-W273 PolarHBondContact OD1-N 3.29Å; D271-R274 VanDerWaalsContact CG-NE 3.31Å; D271-R274 PolarHBondContact O-N 3.23Å; D271-R274 WeakPolarHBondContact OD1-CB 3.37Å; D271-R274 PolarHBondContact OD1-N 3.13Å; D271-R274 IonicContact OD1-NE 3.76Å; D271-R274 IonicContact OD2-CZ 3.98Å; D271-R274 IonicContact OD2-NE 3.81Å; D271-R274 PolarHBondContact OD2-NE 2.85Å; D271-R274 IonicContact OD2-NH2 2.57Å; D271-R274 PolarHBondContact OD2-NH2 3.33Å; D271-A275 VanDerWaalsContact O-CB 3.29Å; D271-A275 WeakPolarHBondContact O-CB 3.43Å; D271-A275 PolarHBondContact O-N 3.05Å
272	K	86.8	Confident	89.6	Confident	171 Å²	171	43.3 Å²	43.3	74%	0.743	21%	0.213	S	C	*	.	H	α-helix	trans	-59.4	-34.7	-176.5	-61.3	-177.6	-179.4	-177.2	0	112.4	G270 L276	G270-K272 VanDerWaalsContact C-N 3.29Å; G270-K272 PolarHBondContact O-N 2.83Å; K272-L276 VanDerWaalsContact O-CB 3.27Å; K272-L276 WeakPolarHBondContact O-CB 3.45Å; K272-L276 PolarHBondContact O-N 3.34Å
273	W	86.3	Confident	89.4	Confident	124 Å²	124	44.4 Å²	44.4	47%	0.47	22%	0.219	S	C	.	.	H	α-helix	trans	-71.2	-48	-176.5	-68.1	112	0	0	0	112.5	S196 S198 D199 D271 L276 G277	S196-W273 WeakPolarHBondContact OG-CH2 3.09Å; S198-W273 WeakPolarHBondContact OG-CH2 3.21Å; S198-W273 WeakPolarHBondContact OG-CZ3 3.35Å; D199-W273 WeakPolarHBondContact OD1-CH2 3.33Å; D199-W273 WeakPolarHBondContact OD1-CZ3 3.35Å; D271-W273 PolarHBondContact O-N 3Å; D271-W273 PolarHBondContact OD1-N 3.29Å; W273-L276 PolarHBondContact O-N 2.84Å; W273-G277 PolarHBondContact O-N 3Å
274	R	89.7	Confident	89.1	Confident	119 Å²	119	44.8 Å²	44.8	45%	0.449	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-44.8	175.2	-76	-172	-85.5	175.8	-4.8	110.5	Y266 D271 L276 G277 Y278	Y266-R274 HydrophobicContact CD1-CB 4.2Å; Y266-R274 HydrophobicContact CD2-CB 4.07Å; Y266-R274 VanDerWaalsContact CE1-CZ 3.49Å; Y266-R274 HydrophobicContact CE2-CB 4.5Å; Y266-R274 HydrophobicContact CG-CB 3.93Å; D271-R274 VanDerWaalsContact CG-NE 3.31Å; D271-R274 PolarHBondContact O-N 3.23Å; D271-R274 WeakPolarHBondContact OD1-CB 3.37Å; D271-R274 PolarHBondContact OD1-N 3.13Å; D271-R274 IonicContact OD1-NE 3.76Å; D271-R274 IonicContact OD2-CZ 3.98Å; D271-R274 IonicContact OD2-NE 3.81Å; D271-R274 PolarHBondContact OD2-NE 2.85Å; D271-R274 IonicContact OD2-NH2 2.57Å; D271-R274 PolarHBondContact OD2-NH2 3.33Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 2.96Å; R274-G277 PolarHBondContact O-N 3.04Å; R274-Y278 VanDerWaalsContact O-CD2 3.25Å; R274-Y278 WeakPolarHBondContact O-CD2 3.15Å; R274-Y278 PolarHBondContact O-N 3.26Å
275	A	89.6	Confident	89.1	Confident	5 Å²	5	40.1 Å²	40.1	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-54	-47	176.2	0	0	0	0	0	111.8	T267 D271 G277 Y278 S279	T267-A275 WeakPolarHBondContact OG1-CB 3.25Å; D271-A275 VanDerWaalsContact O-CB 3.29Å; D271-A275 WeakPolarHBondContact O-CB 3.43Å; D271-A275 PolarHBondContact O-N 3.05Å; A275-G277 PolarHBondContact O-N 3.02Å; A275-Y278 PolarHBondContact O-N 3.44Å; A275-S279 WeakPolarHBondContact O-CB 2.98Å; A275-S279 PolarHBondContact O-N 2.93Å; A275-S279 PolarHBondContact O-OG 2.98Å; A275-S279 VanDerWaalsContact O-OG 3.1Å
276	L	86.3	Confident	88.9	Confident	30 Å²	30	42.8 Å²	42.8	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-41.8	176	-178.9	62.3	0	0	0	112.4	K272 W273 R274 S279 K280	K272-L276 VanDerWaalsContact O-CB 3.27Å; K272-L276 WeakPolarHBondContact O-CB 3.45Å; K272-L276 PolarHBondContact O-N 3.34Å; W273-L276 PolarHBondContact O-N 2.84Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 2.96Å; L276-S279 PolarHBondContact O-N 2.8Å; L276-K280 HydrophobicContact CD1-CG 4.44Å; L276-K280 HydrophobicContact CG-CD 4.46Å; L276-K280 WeakPolarHBondContact O-CB 3.35Å; L276-K280 WeakPolarHBondContact O-CG 3.46Å; L276-K280 PolarHBondContact O-N 2.95Å
277	G	88.6	Confident	88.5	Confident	9 Å²	9	43.8 Å²	43.8	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-47	176.4	0	0	0	0	0	112.8	W273 R274 A275 K280 A281	W273-G277 PolarHBondContact O-N 3Å; R274-G277 PolarHBondContact O-N 3.04Å; A275-G277 PolarHBondContact O-N 3.02Å; G277-K280 PolarHBondContact O-N 3.37Å; G277-A281 PolarHBondContact O-N 3.2Å; G277-A281 VanDerWaalsContact O-N 3.09Å
278	Y	92.3	Very high	88.4	Confident	18 Å²	18	42 Å²	42	7%	0.071	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-44.4	175	-77.9	-84.1	0	0	0	111.9	L259 L262 Y266 R274 A275 K280 A281 V282 M308 K311	L259-Y278 HydrophobicContact CB-CD1 4.23Å; L259-Y278 HydrophobicContact CD2-CD1 3.93Å; L259-Y278 HydrophobicContact CD2-CE1 3.83Å; L262-Y278 HydrophobicContact CB-CD1 4.12Å; L262-Y278 HydrophobicContact CB-CE1 4Å; L262-Y278 HydrophobicContact CB-CE2 4.5Å; L262-Y278 HydrophobicContact CB-CG 4.42Å; L262-Y278 HydrophobicContact CD1-CD1 4.47Å; L262-Y278 HydrophobicContact CD1-CE1 3.62Å; L262-Y278 HydrophobicContact CG-CE1 4.49Å; Y266-Y278 AromaticContact CD2-CD2 3.81Å; Y266-Y278 HydrophobicContact CD2-CD2 3.81Å; Y266-Y278 AromaticContact CD2-CE2 3.67Å; Y266-Y278 HydrophobicContact CD2-CE2 3.67Å; Y266-Y278 HydrophobicContact CE2-CD2 4.01Å; Y266-Y278 AromaticContact CE2-CE2 3.36Å; Y266-Y278 HydrophobicContact CE2-CE2 3.36Å; R274-Y278 VanDerWaalsContact O-CD2 3.25Å; R274-Y278 WeakPolarHBondContact O-CD2 3.15Å; R274-Y278 PolarHBondContact O-N 3.26Å; A275-Y278 PolarHBondContact O-N 3.44Å; Y278-K280 VanDerWaalsContact C-N 3.3Å; Y278-K280 PolarHBondContact O-N 3.07Å; Y278-A281 PolarHBondContact O-N 3.26Å; Y278-A281 VanDerWaalsContact O-N 3.16Å; Y278-V282 WeakPolarHBondContact O-CB 3.36Å; Y278-V282 WeakPolarHBondContact O-CG2 3.48Å; Y278-V282 PolarHBondContact O-N 2.99Å; Y278-M308 HydrophobicContact CD1-CE 3.62Å; Y278-M308 HydrophobicContact CD1-SD 4.1Å; Y278-M308 HydrophobicContact CD2-CE 4.5Å; Y278-M308 HydrophobicContact CE1-CE 3.8Å; Y278-M308 HydrophobicContact CE1-SD 4.04Å; Y278-M308 HydrophobicContact CG-CE 3.99Å; Y278-K311 HydrophobicContact CE1-CD 4.18Å; Y278-K311 WeakPolarHBondContact OH-CD 3.38Å; Y278-K311 WeakPolarHBondContact OH-CE 3.34Å
279	S	88.3	Confident	88.3	Confident	47 Å²	47	47.6 Å²	47.6	33%	0.329	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-39.1	177.7	-65.8	0	0	0	0	112.5	A275 L276 N283	A275-S279 WeakPolarHBondContact O-CB 2.98Å; A275-S279 PolarHBondContact O-N 2.93Å; A275-S279 PolarHBondContact O-OG 2.98Å; A275-S279 VanDerWaalsContact O-OG 3.1Å; L276-S279 PolarHBondContact O-N 2.8Å; S279-N283 WeakPolarHBondContact O-CB 3.3Å; S279-N283 PolarHBondContact O-N 2.94Å
280	K	84.9	Confident	88.3	Confident	29 Å²	29	48.8 Å²	48.8	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-47.2	173.5	-77.7	179.9	175	-177.2	0	111.8	A202 L276 G277 Y278 N283 A284	A202-K280 PolarHBondContact O-NZ 3.13Å; L276-K280 HydrophobicContact CD1-CG 4.44Å; L276-K280 HydrophobicContact CG-CD 4.46Å; L276-K280 WeakPolarHBondContact O-CB 3.35Å; L276-K280 WeakPolarHBondContact O-CG 3.46Å; L276-K280 PolarHBondContact O-N 2.95Å; G277-K280 PolarHBondContact O-N 3.37Å; Y278-K280 VanDerWaalsContact C-N 3.3Å; Y278-K280 PolarHBondContact O-N 3.07Å; K280-N283 PolarHBondContact O-N 3.49Å; K280-A284 WeakPolarHBondContact O-CB 3.38Å; K280-A284 PolarHBondContact O-N 2.82Å
281	A	90.6	Very high	88.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-43.3	178.4	0	0	0	0	0	112	G277 Y278 N283 A284 L285 I304 M308	G277-A281 PolarHBondContact O-N 3.2Å; G277-A281 VanDerWaalsContact O-N 3.09Å; Y278-A281 PolarHBondContact O-N 3.26Å; Y278-A281 VanDerWaalsContact O-N 3.16Å; A281-N283 VanDerWaalsContact C-N 3.34Å; A281-N283 PolarHBondContact O-N 2.89Å; A281-A284 PolarHBondContact O-N 2.74Å; A281-L285 WeakPolarHBondContact O-CB 3.11Å; A281-L285 WeakPolarHBondContact O-CG 3.47Å; A281-L285 PolarHBondContact O-N 3.47Å; A281-I304 HydrophobicContact CB-CG1 4.32Å; A281-M308 HydrophobicContact CB-CE 3.76Å; A281-M308 HydrophobicContact CB-CG 3.67Å; A281-M308 HydrophobicContact CB-SD 3.9Å
282	V	91.5	Very high	88.9	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-47.8	174.2	166.7	0	0	0	0	110.7	T256 L259 E260 Y278 A284 L285 K286	T256-V282 HydrophobicContact CG2-CG1 4.31Å; L259-V282 HydrophobicContact CB-CG2 3.61Å; E260-V282 HydrophobicContact CG-CB 4.47Å; E260-V282 HydrophobicContact CG-CG1 3.76Å; E260-V282 HydrophobicContact CG-CG2 3.91Å; E260-V282 WeakPolarHBondContact OE1-CG1 3.37Å; Y278-V282 WeakPolarHBondContact O-CB 3.36Å; Y278-V282 WeakPolarHBondContact O-CG2 3.48Å; Y278-V282 PolarHBondContact O-N 2.99Å; V282-A284 PolarHBondContact O-N 2.88Å; V282-L285 PolarHBondContact O-N 2.62Å; V282-K286 HydrophobicContact CG1-CD 4.09Å; V282-K286 HydrophobicContact CG1-CG 4.43Å; V282-K286 WeakPolarHBondContact O-CB 3.05Å; V282-K286 WeakPolarHBondContact O-CG 2.94Å; V282-K286 PolarHBondContact O-N 2.9Å
283	N	86.1	Confident	89.3	Confident	26 Å²	26	45.7 Å²	45.7	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-40.7	178.4	-82.8	-20.8	0	0	0	112.9	S279 K280 A281 S287 W573	S279-N283 WeakPolarHBondContact O-CB 3.3Å; S279-N283 PolarHBondContact O-N 2.94Å; K280-N283 PolarHBondContact O-N 3.49Å; A281-N283 VanDerWaalsContact C-N 3.34Å; A281-N283 PolarHBondContact O-N 2.89Å; N283-S287 WeakPolarHBondContact O-CB 3.31Å; N283-S287 PolarHBondContact O-N 2.7Å; N283-S287 VanDerWaalsContact O-N 3.13Å; N283-S287 PolarHBondContact O-OG 3.4Å; N283-W573 PolarHBondContact ND2-OXT 3.46Å
284	A	86.9	Confident	89.7	Confident	17 Å²	17	41.6 Å²	41.6	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-45.7	176.2	0	0	0	0	0	111.1	K280 A281 V282 S287 F288 I301 I304	K280-A284 WeakPolarHBondContact O-CB 3.38Å; K280-A284 PolarHBondContact O-N 2.82Å; A281-A284 PolarHBondContact O-N 2.74Å; V282-A284 PolarHBondContact O-N 2.88Å; A284-S287 CarbonylContact O-C 3.52Å; A284-S287 PolarHBondContact O-N 3.33Å; A284-F288 PolarHBondContact O-N 3.49Å; A284-I301 HydrophobicContact CB-CG2 3.75Å; A284-I304 HydrophobicContact CB-CD1 4.5Å; A284-I304 HydrophobicContact CB-CG1 4.39Å
285	L	90.5	Very high	90	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-39.9	177.5	-73.6	168.3	0	0	0	113.3	N252 I255 T256 L259 A281 V282 S287 F288 V292 I301 I304 I312	N252-L285 HydrophobicContact CB-CB 4.04Å; N252-L285 HydrophobicContact CB-CD2 4.25Å; N252-L285 PolarHBondContact ND2-O 2.9Å; I255-L285 HydrophobicContact CB-CD1 4.49Å; I255-L285 HydrophobicContact CG2-CD1 3.62Å; T256-L285 HydrophobicContact CG2-CB 3.49Å; T256-L285 VanDerWaalsContact CG2-CB 3.49Å; T256-L285 HydrophobicContact CG2-CD1 4.02Å; T256-L285 HydrophobicContact CG2-CG 4.42Å; L259-L285 HydrophobicContact CD1-CD1 3.74Å; A281-L285 WeakPolarHBondContact O-CB 3.11Å; A281-L285 WeakPolarHBondContact O-CG 3.47Å; A281-L285 PolarHBondContact O-N 3.47Å; V282-L285 PolarHBondContact O-N 2.62Å; L285-S287 PolarHBondContact O-N 2.93Å; L285-F288 PolarHBondContact O-N 3.28Å; L285-V292 HydrophobicContact CD2-CG2 3.68Å; L285-I301 HydrophobicContact CD2-CD1 4.2Å; L285-I304 HydrophobicContact CD1-CD1 4.41Å; L285-I304 HydrophobicContact CD2-CD1 3.83Å; L285-I304 HydrophobicContact CG-CD1 3.78Å; L285-I312 HydrophobicContact CD1-CD1 4.07Å; L285-I312 HydrophobicContact CD1-CG1 4.38Å; L285-I312 HydrophobicContact CD2-CD1 4.31Å
286	K	88.4	Confident	90.3	Very high	62 Å²	62	43.7 Å²	43.7	27%	0.27	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-30.9	174.3	-78.3	-177.6	178.1	179.8	0	112.8	N250 T256 E260 V282	N250-K286 HydrophobicContact CB-CG 4.36Å; T256-K286 HydrophobicContact CG2-CG 4.17Å; E260-K286 WeakPolarHBondContact OE1-CE 3.45Å; E260-K286 IonicContact OE1-NZ 3.62Å; E260-K286 PolarHBondContact OE1-NZ 3.38Å; V282-K286 HydrophobicContact CG1-CD 4.09Å; V282-K286 HydrophobicContact CG1-CG 4.43Å; V282-K286 WeakPolarHBondContact O-CB 3.05Å; V282-K286 WeakPolarHBondContact O-CG 2.94Å; V282-K286 PolarHBondContact O-N 2.9Å
287	S	84.1	Confident	90.7	Very high	35 Å²	35	43.2 Å²	43.2	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-92.7	-7.7	-179	-45.4	0	0	0	0	112.6	K247 N283 A284 L285	K247-S287 WeakPolarHBondContact CE-OG 3.43Å; K247-S287 WeakPolarHBondContact CG-OG 3.43Å; N283-S287 WeakPolarHBondContact O-CB 3.31Å; N283-S287 PolarHBondContact O-N 2.7Å; N283-S287 VanDerWaalsContact O-N 3.13Å; N283-S287 PolarHBondContact O-OG 3.4Å; A284-S287 CarbonylContact O-C 3.52Å; A284-S287 PolarHBondContact O-N 3.33Å; L285-S287 PolarHBondContact O-N 2.93Å
288	F	88.3	Confident	91	Very high	35 Å²	35	42.8 Å²	42.8	15%	0.154	23%	0.225	C	C	.	.			trans	-75.9	127.5	-178.3	-167.7	-121.9	0	0	0	109.6	F251 A284 L285 K290 V292 E297 I301	F251-F288 WeakPolarHBondContact CD2-O 3.49Å; A284-F288 PolarHBondContact O-N 3.49Å; L285-F288 PolarHBondContact O-N 3.28Å; F288-K290 HydrophobicContact CD1-CG 4.18Å; F288-K290 WeakPolarHBondContact CD1-O 3.33Å; F288-K290 HydrophobicContact CE1-CD 4.44Å; F288-K290 HydrophobicContact CE1-CG 3.58Å; F288-K290 HydrophobicContact CZ-CG 4Å; F288-K290 PolarHBondContact O-N 3.23Å; F288-V292 HydrophobicContact CD1-CG2 3.6Å; F288-V292 HydrophobicContact CE1-CG2 3.78Å; F288-E297 HydrophobicContact CE1-CG 4.23Å; F288-E297 HydrophobicContact CZ-CG 4.1Å; F288-I301 HydrophobicContact CB-CD1 4.42Å; F288-I301 HydrophobicContact CD1-CD1 3.8Å; F288-I301 HydrophobicContact CD2-CD1 3.95Å; F288-I301 HydrophobicContact CD2-CG1 3.93Å; F288-I301 HydrophobicContact CE1-CD1 3.98Å; F288-I301 HydrophobicContact CE2-CD1 4.12Å; F288-I301 HydrophobicContact CE2-CG1 3.87Å; F288-I301 HydrophobicContact CG-CD1 3.8Å; F288-I301 HydrophobicContact CG-CG1 4.31Å; F288-I301 HydrophobicContact CZ-CD1 4.13Å; F288-I301 HydrophobicContact CZ-CG1 4.19Å
289	H	87.1	Confident	91	Very high	135 Å²	135	44.1 Å²	44.1	63%	0.625	24%	0.236	S	C	*	.	S	Bend	trans	-73.4	0	-165.4	61.9	75.3	0	0	0	115	F251	F251-H289 WeakPolarHBondContact CE2-O 3.4Å
290	K	90.9	Very high	91.2	Very high	87 Å²	87	49.4 Å²	49.4	38%	0.378	26%	0.256	S	S	.	.	S	Bend	trans	-150.9	165.5	178.8	59.5	173.4	166.3	155.4	0	110.6	N252 F288 E297	N252-K290 PolarHBondContact ND2-O 3.14Å; N252-K290 VanDerWaalsContact ND2-O 3.09Å; F288-K290 HydrophobicContact CD1-CG 4.18Å; F288-K290 WeakPolarHBondContact CD1-O 3.33Å; F288-K290 HydrophobicContact CE1-CD 4.44Å; F288-K290 HydrophobicContact CE1-CG 3.58Å; F288-K290 HydrophobicContact CZ-CG 4Å; F288-K290 PolarHBondContact O-N 3.23Å; K290-E297 WeakPolarHBondContact CE-OE1 3.45Å; K290-E297 IonicContact NZ-OE1 3.39Å; K290-E297 PolarHBondContact NZ-OE1 2.85Å
291	P	94.6	Very high	91.3	Very high	61 Å²	61	48.4 Å²	48.4	40%	0.396	25%	0.252	S	S	.	.			trans	-60.5	137.2	167.6	-20.8	32.9	0	0	0	110.5	F251 N252	F251-P291 HydrophobicContact CB-CG 4.07Å; N252-P291 WeakPolarHBondContact OD1-CA 3.29Å
292	V	95.4	Very high	91	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.03	29%	0.287	C	S	.	.			trans	-74.5	136.4	167.5	-177.8	0	0	0	0	108.3	N252 L285 F288 E297 A298 I301 I312 M316	N252-V292 PolarHBondContact OD1-N 2.86Å; L285-V292 HydrophobicContact CD2-CG2 3.68Å; F288-V292 HydrophobicContact CD1-CG2 3.6Å; F288-V292 HydrophobicContact CE1-CG2 3.78Å; V292-E297 WeakPolarHBondContact CA-OE2 3.44Å; V292-E297 HydrophobicContact CG1-CB 4.47Å; V292-E297 HydrophobicContact CG1-CG 4.34Å; V292-A298 HydrophobicContact CG1-CB 3.91Å; V292-I301 HydrophobicContact CG2-CD1 3.54Å; V292-I312 HydrophobicContact CG1-CG2 4.2Å; V292-M316 HydrophobicContact CB-SD 4.34Å; V292-M316 HydrophobicContact CG1-CE 4.41Å; V292-M316 HydrophobicContact CG1-SD 4.05Å
293	T	94.5	Very high	90.4	Very high	109 Å²	109	54.7 Å²	54.7	67%	0.669	30%	0.297	S	S	*	.			trans	-128.5	-10.3	-172.3	55.5	0	0	0	0	113.8	E297	T293-E297 PolarHBondContact N-OE2 3.16Å; T293-E297 PolarHBondContact OG1-OE2 3.09Å
294	S	95.6	Very high	90.6	Very high	39 Å²	39	53.8 Å²	53.8	27%	0.273	29%	0.292	S	S	.	.	S	Bend	trans	-149.7	159	178.7	70	0	0	0	0	112.7	Q296 E297 A298	S294-Q296 VanDerWaalsContact C-N 3.32Å; S294-Q296 PolarHBondContact O-N 3.03Å; S294-E297 PolarHBondContact O-N 3.47Å; S294-E297 VanDerWaalsContact OG-CB 3.31Å; S294-E297 WeakPolarHBondContact OG-CB 3.34Å; S294-E297 PolarHBondContact OG-N 2.81Å; S294-A298 PolarHBondContact O-N 3.35Å
295	Y	95.8	Very high	90.7	Very high	47 Å²	47	54.4 Å²	54.4	18%	0.184	30%	0.3	C	S	.	.	H	α-helix	trans	-60	-40.4	172.9	170.5	-89.4	0	0	0	112.9	E297 A298 C299 K306 A309 D310 E313	Y295-E297 VanDerWaalsContact C-N 3.32Å; Y295-E297 PolarHBondContact O-N 3.46Å; Y295-A298 WeakPolarHBondContact O-CB 3.45Å; Y295-A298 PolarHBondContact O-N 3.01Å; Y295-C299 VanDerWaalsContact CE1-SG 3.53Å; Y295-C299 PolarHBondContact O-N 3.3Å; Y295-C299 PolarHBondContact O-SG 3.34Å; Y295-C299 VanDerWaalsContact O-SG 3.38Å; Y295-K306 WeakPolarHBondContact OH-CB 3.46Å; Y295-K306 WeakPolarHBondContact OH-CG 3.49Å; Y295-A309 HydrophobicContact CD2-CB 3.57Å; Y295-A309 HydrophobicContact CE2-CB 3.43Å; Y295-A309 VanDerWaalsContact CE2-CB 3.43Å; Y295-A309 HydrophobicContact CG-CB 4.41Å; Y295-D310 WeakPolarHBondContact CE2-OD1 3.46Å; Y295-E313 WeakPolarHBondContact CB-OE1 3.2Å
296	Q	95.9	Very high	90.8	Very high	120 Å²	120	61.9 Å²	61.9	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-64.2	-41.1	179.6	-63.7	80.4	5.3	0	0	110.7	S294 C299 Q300	S294-Q296 VanDerWaalsContact C-N 3.32Å; S294-Q296 PolarHBondContact O-N 3.03Å; Q296-C299 PolarHBondContact O-N 3.26Å; Q296-Q300 WeakPolarHBondContact O-CG 3.49Å; Q296-Q300 PolarHBondContact O-N 3.37Å
297	E	94.5	Very high	91	Very high	21 Å²	21	67.9 Å²	67.9	10%	0.098	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-45.8	174.6	-179.5	172.3	-128.4	0	0	111.2	F288 K290 V292 T293 S294 Y295 C299 Q300 I301	F288-E297 HydrophobicContact CE1-CG 4.23Å; F288-E297 HydrophobicContact CZ-CG 4.1Å; K290-E297 WeakPolarHBondContact CE-OE1 3.45Å; K290-E297 IonicContact NZ-OE1 3.39Å; K290-E297 PolarHBondContact NZ-OE1 2.85Å; V292-E297 WeakPolarHBondContact CA-OE2 3.44Å; V292-E297 HydrophobicContact CG1-CB 4.47Å; V292-E297 HydrophobicContact CG1-CG 4.34Å; T293-E297 PolarHBondContact N-OE2 3.16Å; T293-E297 PolarHBondContact OG1-OE2 3.09Å; S294-E297 PolarHBondContact O-N 3.47Å; S294-E297 VanDerWaalsContact OG-CB 3.31Å; S294-E297 WeakPolarHBondContact OG-CB 3.34Å; S294-E297 PolarHBondContact OG-N 2.81Å; Y295-E297 VanDerWaalsContact C-N 3.32Å; Y295-E297 PolarHBondContact O-N 3.46Å; E297-C299 VanDerWaalsContact C-N 3.27Å; E297-C299 PolarHBondContact O-N 3.28Å; E297-Q300 WeakPolarHBondContact O-CB 3.35Å; E297-Q300 PolarHBondContact O-N 2.98Å; E297-I301 PolarHBondContact O-N 2.73Å
298	A	94.4	Very high	91.6	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56	-42.4	175.6	0	0	0	0	0	112	V292 S294 Y295 Q300 I301 I304 A309 I312	V292-A298 HydrophobicContact CG1-CB 3.91Å; S294-A298 PolarHBondContact O-N 3.35Å; Y295-A298 WeakPolarHBondContact O-CB 3.45Å; Y295-A298 PolarHBondContact O-N 3.01Å; A298-Q300 VanDerWaalsContact C-N 3.25Å; A298-Q300 PolarHBondContact O-N 3.33Å; A298-I301 WeakPolarHBondContact O-CB 3.49Å; A298-I301 PolarHBondContact O-N 2.89Å; A298-I304 HydrophobicContact CB-CG2 4.48Å; A298-I304 WeakPolarHBondContact O-CB 3.41Å; A298-I304 VanDerWaalsContact O-CG2 3.31Å; A298-I304 WeakPolarHBondContact O-CG2 3.49Å; A298-A309 HydrophobicContact CB-CB 3.85Å; A298-I312 HydrophobicContact CB-CB 4.45Å; A298-I312 HydrophobicContact CB-CD1 4.19Å; A298-I312 HydrophobicContact CB-CG2 4.22Å
299	C	92.9	Very high	91.9	Very high	45 Å²	45	65.7 Å²	65.7	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-22	177.8	-74.7	0	0	0	0	114.4	Y295 Q296 E297 I301 A309	Y295-C299 VanDerWaalsContact CE1-SG 3.53Å; Y295-C299 PolarHBondContact O-N 3.3Å; Y295-C299 PolarHBondContact O-SG 3.34Å; Y295-C299 VanDerWaalsContact O-SG 3.38Å; Q296-C299 PolarHBondContact O-N 3.26Å; E297-C299 VanDerWaalsContact C-N 3.27Å; E297-C299 PolarHBondContact O-N 3.28Å; C299-I301 VanDerWaalsContact C-N 3.32Å; C299-A309 WeakPolarHBondContact SG-CB 3.39Å
300	Q	91.5	Very high	92.3	Very high	158 Å²	158	62.8 Å²	62.8	74%	0.738	33%	0.329	S	S	*	.	H	α-helix	trans	-81.9	-14.9	177.9	-71.4	174.3	8.1	0	0	112.4	Q296 E297 A298 P302	Q296-Q300 WeakPolarHBondContact O-CG 3.49Å; Q296-Q300 PolarHBondContact O-N 3.37Å; E297-Q300 WeakPolarHBondContact O-CB 3.35Å; E297-Q300 PolarHBondContact O-N 2.98Å; A298-Q300 VanDerWaalsContact C-N 3.25Å; A298-Q300 PolarHBondContact O-N 3.33Å; Q300-P302 WeakPolarHBondContact O-CD 3.38Å
301	I	88.6	Confident	92.6	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.046	32%	0.322	C	S	.	.	S	Bend	trans	-74.7	120.6	179.3	-61.3	172.8	0	0	0	109.3	A284 L285 F288 V292 E297 A298 C299 G303 I304	A284-I301 HydrophobicContact CB-CG2 3.75Å; L285-I301 HydrophobicContact CD2-CD1 4.2Å; F288-I301 HydrophobicContact CB-CD1 4.42Å; F288-I301 HydrophobicContact CD1-CD1 3.8Å; F288-I301 HydrophobicContact CD2-CD1 3.95Å; F288-I301 HydrophobicContact CD2-CG1 3.93Å; F288-I301 HydrophobicContact CE1-CD1 3.98Å; F288-I301 HydrophobicContact CE2-CD1 4.12Å; F288-I301 HydrophobicContact CE2-CG1 3.87Å; F288-I301 HydrophobicContact CG-CD1 3.8Å; F288-I301 HydrophobicContact CG-CG1 4.31Å; F288-I301 HydrophobicContact CZ-CD1 4.13Å; F288-I301 HydrophobicContact CZ-CG1 4.19Å; V292-I301 HydrophobicContact CG2-CD1 3.54Å; E297-I301 PolarHBondContact O-N 2.73Å; A298-I301 WeakPolarHBondContact O-CB 3.49Å; A298-I301 PolarHBondContact O-N 2.89Å; C299-I301 VanDerWaalsContact C-N 3.32Å; I301-G303 PolarHBondContact O-N 3.29Å; I301-I304 HydrophobicContact CB-CB 4.31Å; I301-I304 HydrophobicContact CB-CD1 3.78Å; I301-I304 HydrophobicContact CB-CG1 4.1Å; I301-I304 HydrophobicContact CD1-CD1 3.99Å; I301-I304 HydrophobicContact CG1-CD1 4.47Å; I301-I304 HydrophobicContact CG2-CD1 3.67Å; I301-I304 HydrophobicContact CG2-CG1 3.96Å; I301-I304 PolarHBondContact O-N 3.1Å
302	P	83.1	Confident	92.7	Very high	114 Å²	114	58.2 Å²	58.2	74%	0.74	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	127.9	176.1	-25.6	35.5	0	0	0	111.8	Q300	Q300-P302 WeakPolarHBondContact O-CD 3.38Å
303	G	79.9	Confident	92.7	Very high	23 Å²	23	60.9 Å²	60.9	24%	0.237	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-2.1	-176.1	0	0	0	0	0	114.8	I301	I301-G303 PolarHBondContact O-N 3.29Å
304	I	90.2	Very high	92.8	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.041	29%	0.291	C	S	.	.			trans	-112.6	109.5	174	-56.1	-174.2	0	0	0	109.1	A281 A284 L285 A298 I301 M308 A309 I312	A281-I304 HydrophobicContact CB-CG1 4.32Å; A284-I304 HydrophobicContact CB-CD1 4.5Å; A284-I304 HydrophobicContact CB-CG1 4.39Å; L285-I304 HydrophobicContact CD1-CD1 4.41Å; L285-I304 HydrophobicContact CD2-CD1 3.83Å; L285-I304 HydrophobicContact CG-CD1 3.78Å; A298-I304 HydrophobicContact CB-CG2 4.48Å; A298-I304 WeakPolarHBondContact O-CB 3.41Å; A298-I304 VanDerWaalsContact O-CG2 3.31Å; A298-I304 WeakPolarHBondContact O-CG2 3.49Å; I301-I304 HydrophobicContact CB-CB 4.31Å; I301-I304 HydrophobicContact CB-CD1 3.78Å; I301-I304 HydrophobicContact CB-CG1 4.1Å; I301-I304 HydrophobicContact CD1-CD1 3.99Å; I301-I304 HydrophobicContact CG1-CD1 4.47Å; I301-I304 HydrophobicContact CG2-CD1 3.67Å; I301-I304 HydrophobicContact CG2-CG1 3.96Å; I301-I304 PolarHBondContact O-N 3.1Å; I304-M308 HydrophobicContact CG2-CB 3.93Å; I304-M308 HydrophobicContact CG2-CG 3.94Å; I304-A309 HydrophobicContact CG2-CB 4.27Å; I304-I312 HydrophobicContact CD1-CD1 3.75Å; I304-I312 HydrophobicContact CG2-CD1 3.65Å
305	G	89.3	Confident	92.9	Very high	30 Å²	30	55.5 Å²	55.5	31%	0.309	28%	0.278	S	S	.	.			trans	-93	171.7	173.3	0	0	0	0	0	112.9	R307 M308 A309	G305-R307 VanDerWaalsContact C-N 3.35Å; G305-R307 PolarHBondContact O-N 2.95Å; G305-M308 WeakPolarHBondContact O-CA 3.37Å; G305-M308 WeakPolarHBondContact O-CB 3.31Å; G305-M308 PolarHBondContact O-N 3.46Å; G305-A309 PolarHBondContact O-N 2.97Å
306	K	92.1	Very high	92.8	Very high	156 Å²	156	55.8 Å²	55.8	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-44	-52.7	-178.5	-62.7	-171.9	177.9	-176.5	0	113.7	Y295 M308 A309 D310	Y295-K306 WeakPolarHBondContact OH-CB 3.46Å; Y295-K306 WeakPolarHBondContact OH-CG 3.49Å; K306-M308 PolarHBondContact O-N 3.45Å; K306-M308 VanDerWaalsContact O-N 3.14Å; K306-A309 CarbonylContact O-C 3.58Å; K306-A309 WeakPolarHBondContact O-CA 3.48Å; K306-A309 WeakPolarHBondContact O-CB 3.5Å; K306-A309 PolarHBondContact O-N 3.07Å; K306-D310 PolarHBondContact O-N 2.74Å
307	R	93	Very high	92.8	Very high	188 Å²	188	57.4 Å²	57.4	71%	0.709	29%	0.289	S	S	*	.	H	α-helix	trans	-60.3	-27.4	179.4	-70.8	-175.7	-180	167.2	0.3	115	G305 D310 K311	G305-R307 VanDerWaalsContact C-N 3.35Å; G305-R307 PolarHBondContact O-N 2.95Å; R307-D310 WeakPolarHBondContact CA-OD2 3.13Å; R307-K311 PolarHBondContact O-NZ 3.38Å
308	M	95.2	Very high	92.7	Very high	24 Å²	24	59.9 Å²	59.9	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-84.7	-42	176.1	-172.6	63.1	71.3	0	0	109.7	L259 Y278 A281 I304 G305 K306 D310 K311 I312	L259-M308 HydrophobicContact CD1-SD 4.09Å; L259-M308 HydrophobicContact CD2-SD 4.11Å; Y278-M308 HydrophobicContact CD1-CE 3.62Å; Y278-M308 HydrophobicContact CD1-SD 4.1Å; Y278-M308 HydrophobicContact CD2-CE 4.5Å; Y278-M308 HydrophobicContact CE1-CE 3.8Å; Y278-M308 HydrophobicContact CE1-SD 4.04Å; Y278-M308 HydrophobicContact CG-CE 3.99Å; A281-M308 HydrophobicContact CB-CE 3.76Å; A281-M308 HydrophobicContact CB-CG 3.67Å; A281-M308 HydrophobicContact CB-SD 3.9Å; I304-M308 HydrophobicContact CG2-CB 3.93Å; I304-M308 HydrophobicContact CG2-CG 3.94Å; G305-M308 WeakPolarHBondContact O-CA 3.37Å; G305-M308 WeakPolarHBondContact O-CB 3.31Å; G305-M308 PolarHBondContact O-N 3.46Å; K306-M308 PolarHBondContact O-N 3.45Å; K306-M308 VanDerWaalsContact O-N 3.14Å; M308-D310 VanDerWaalsContact C-N 3.3Å; M308-D310 PolarHBondContact O-N 2.93Å; M308-K311 WeakPolarHBondContact O-CB 3.37Å; M308-K311 PolarHBondContact O-N 3.37Å; M308-I312 HydrophobicContact CG-CD1 4.1Å; M308-I312 WeakPolarHBondContact O-CG1 3.29Å; M308-I312 PolarHBondContact O-N 2.87Å
309	A	95.6	Very high	92.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-41	172.4	0	0	0	0	0	112.1	Y295 A298 C299 I304 G305 K306 K311 I312 E313	Y295-A309 HydrophobicContact CD2-CB 3.57Å; Y295-A309 HydrophobicContact CE2-CB 3.43Å; Y295-A309 VanDerWaalsContact CE2-CB 3.43Å; Y295-A309 HydrophobicContact CG-CB 4.41Å; A298-A309 HydrophobicContact CB-CB 3.85Å; C299-A309 WeakPolarHBondContact SG-CB 3.39Å; I304-A309 HydrophobicContact CG2-CB 4.27Å; G305-A309 PolarHBondContact O-N 2.97Å; K306-A309 CarbonylContact O-C 3.58Å; K306-A309 WeakPolarHBondContact O-CA 3.48Å; K306-A309 WeakPolarHBondContact O-CB 3.5Å; K306-A309 PolarHBondContact O-N 3.07Å; A309-K311 PolarHBondContact O-N 3.02Å; A309-I312 PolarHBondContact O-N 3.4Å; A309-I312 VanDerWaalsContact O-N 3.1Å; A309-E313 WeakPolarHBondContact O-CB 3.27Å; A309-E313 PolarHBondContact O-N 2.93Å
310	D	96.2	Very high	92.6	Very high	75 Å²	75	63 Å²	63	40%	0.401	33%	0.332	S	S	.	.	H	α-helix	trans	-55.7	-37.7	173.6	-60.4	-33.7	0	0	0	111.8	Y295 K306 R307 M308 E314	Y295-D310 WeakPolarHBondContact CE2-OD1 3.46Å; K306-D310 PolarHBondContact O-N 2.74Å; R307-D310 WeakPolarHBondContact CA-OD2 3.13Å; M308-D310 VanDerWaalsContact C-N 3.3Å; M308-D310 PolarHBondContact O-N 2.93Å; D310-E314 WeakPolarHBondContact O-CB 3.47Å; D310-E314 PolarHBondContact O-N 3.34Å
311	K	96.1	Very high	92.6	Very high	52 Å²	52	55.5 Å²	55.5	23%	0.226	30%	0.297	C	S	.	.	H	α-helix	trans	-76.8	-35.9	179.3	-67.6	169	-177.4	46	0	111.7	Y278 R307 M308 A309 E313 E314 I315 L321	Y278-K311 HydrophobicContact CE1-CD 4.18Å; Y278-K311 WeakPolarHBondContact OH-CD 3.38Å; Y278-K311 WeakPolarHBondContact OH-CE 3.34Å; R307-K311 PolarHBondContact O-NZ 3.38Å; M308-K311 WeakPolarHBondContact O-CB 3.37Å; M308-K311 PolarHBondContact O-N 3.37Å; A309-K311 PolarHBondContact O-N 3.02Å; K311-E313 VanDerWaalsContact C-N 3.35Å; K311-E314 PolarHBondContact O-N 3.46Å; K311-I315 WeakPolarHBondContact O-CD1 3.38Å; K311-I315 WeakPolarHBondContact O-CG1 3.45Å; K311-I315 PolarHBondContact O-N 3.03Å; K311-L321 HydrophobicContact CB-CD1 3.94Å; K311-L321 HydrophobicContact CG-CD1 4.02Å
312	I	96.3	Very high	92.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175.6	-66.3	164.9	0	0	0	108.8	I255 L259 L285 V292 A298 I304 M308 A309 I315 M316	I255-I312 HydrophobicContact CD1-CG2 3.89Å; I255-I312 HydrophobicContact CG1-CG2 4.44Å; I255-I312 HydrophobicContact CG2-CG1 3.98Å; I255-I312 HydrophobicContact CG2-CG2 4.34Å; L259-I312 HydrophobicContact CD1-CG1 4.43Å; L285-I312 HydrophobicContact CD1-CD1 4.07Å; L285-I312 HydrophobicContact CD1-CG1 4.38Å; L285-I312 HydrophobicContact CD2-CD1 4.31Å; V292-I312 HydrophobicContact CG1-CG2 4.2Å; A298-I312 HydrophobicContact CB-CB 4.45Å; A298-I312 HydrophobicContact CB-CD1 4.19Å; A298-I312 HydrophobicContact CB-CG2 4.22Å; I304-I312 HydrophobicContact CD1-CD1 3.75Å; I304-I312 HydrophobicContact CG2-CD1 3.65Å; M308-I312 HydrophobicContact CG-CD1 4.1Å; M308-I312 WeakPolarHBondContact O-CG1 3.29Å; M308-I312 PolarHBondContact O-N 2.87Å; A309-I312 PolarHBondContact O-N 3.4Å; A309-I312 VanDerWaalsContact O-N 3.1Å; I312-I315 PolarHBondContact O-N 3.28Å; I312-M316 HydrophobicContact CG2-CE 4.03Å; I312-M316 HydrophobicContact CG2-CG 4.44Å; I312-M316 HydrophobicContact CG2-SD 4.16Å; I312-M316 VanDerWaalsContact O-CG 3.29Å; I312-M316 WeakPolarHBondContact O-CG 3.48Å; I312-M316 PolarHBondContact O-N 2.89Å
313	E	97.1	Very high	92.9	Very high	60 Å²	60	61.8 Å²	61.8	28%	0.28	31%	0.308	S	S	.	.	H	α-helix	trans	-58.7	-48.9	173.4	-172.3	170.1	-120.2	0	0	111.8	Y295 A309 K311 I315 M316 E317	Y295-E313 WeakPolarHBondContact CB-OE1 3.2Å; A309-E313 WeakPolarHBondContact O-CB 3.27Å; A309-E313 PolarHBondContact O-N 2.93Å; K311-E313 VanDerWaalsContact C-N 3.35Å; E313-I315 VanDerWaalsContact C-N 3.26Å; E313-I315 PolarHBondContact O-N 3.5Å; E313-M316 HydrophobicContact CB-CE 4.32Å; E313-M316 PolarHBondContact O-N 3.26Å; E313-E317 HydrophobicContact CG-CG 4.3Å; E313-E317 WeakPolarHBondContact O-CG 3.14Å; E313-E317 PolarHBondContact O-N 3.19Å
314	E	96.3	Very high	93.3	Very high	34 Å²	34	62.2 Å²	62.2	16%	0.159	31%	0.305	C	S	.	.	H	α-helix	trans	-55	-41.9	175.3	-177.8	177.5	145.8	0	0	112.3	D310 K311 S318 L321 R322	D310-E314 WeakPolarHBondContact O-CB 3.47Å; D310-E314 PolarHBondContact O-N 3.34Å; K311-E314 PolarHBondContact O-N 3.46Å; E314-S318 WeakPolarHBondContact O-CB 3.47Å; E314-S318 PolarHBondContact O-N 3.35Å; E314-S318 PolarHBondContact O-OG 3.26Å; E314-L321 HydrophobicContact CG-CD1 4.45Å; E314-R322 WeakPolarHBondContact OE1-CB 3.4Å; E314-R322 VanDerWaalsContact OE1-CG 3.31Å; E314-R322 WeakPolarHBondContact OE1-CG 3.3Å; E314-R322 IonicContact OE1-CZ 4Å; E314-R322 PolarHBondContact OE1-N 2.8Å; E314-R322 IonicContact OE1-NE 3.09Å; E314-R322 PolarHBondContact OE1-NE 3.4Å; E314-R322 VanDerWaalsContact OE1-NE 3.09Å; E314-R322 IonicContact OE1-NH2 2.93Å; E314-R322 IonicContact OE2-CZ 3.6Å; E314-R322 IonicContact OE2-NE 3.4Å; E314-R322 PolarHBondContact OE2-NE 2.96Å; E314-R322 IonicContact OE2-NH2 3.43Å; E314-R322 PolarHBondContact OE2-NH2 3.08Å
315	I	96.3	Very high	93.1	Very high	2 Å²	2	67 Å²	67	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-40.8	177.2	-67.3	162.9	0	0	0	111.6	I255 K258 L259 K311 I312 E313 G319 H320 L321	I255-I315 HydrophobicContact CB-CG2 4.42Å; I255-I315 HydrophobicContact CG1-CB 4.39Å; I255-I315 HydrophobicContact CG1-CG2 3.85Å; I255-I315 HydrophobicContact CG2-CD1 4.08Å; K258-I315 HydrophobicContact CB-CD1 4.06Å; K258-I315 HydrophobicContact CD-CD1 4.1Å; K258-I315 HydrophobicContact CD-CG1 3.88Å; K258-I315 HydrophobicContact CD-CG2 3.84Å; L259-I315 HydrophobicContact CD2-CD1 4.12Å; L259-I315 HydrophobicContact CG-CD1 4.35Å; K311-I315 WeakPolarHBondContact O-CD1 3.38Å; K311-I315 WeakPolarHBondContact O-CG1 3.45Å; K311-I315 PolarHBondContact O-N 3.03Å; I312-I315 PolarHBondContact O-N 3.28Å; E313-I315 VanDerWaalsContact C-N 3.26Å; E313-I315 PolarHBondContact O-N 3.5Å; I315-G319 WeakPolarHBondContact O-CA 3.32Å; I315-G319 PolarHBondContact O-N 3.02Å; I315-H320 WeakPolarHBondContact CA-O 3.44Å; I315-L321 HydrophobicContact CD1-CB 4.23Å; I315-L321 HydrophobicContact CD1-CD2 4.24Å; I315-L321 HydrophobicContact CG1-CB 3.83Å; I315-L321 HydrophobicContact CG1-CD1 4.36Å
316	M	95.1	Very high	93	Very high	52 Å²	52	72.2 Å²	72.2	26%	0.256	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-41.2	179.2	-71.2	-175.5	-54.5	0	0	111.5	I255 V292 I312 E313	I255-M316 HydrophobicContact CD1-CG 4.07Å; I255-M316 HydrophobicContact CD1-SD 4.47Å; V292-M316 HydrophobicContact CB-SD 4.34Å; V292-M316 HydrophobicContact CG1-CE 4.41Å; V292-M316 HydrophobicContact CG1-SD 4.05Å; I312-M316 HydrophobicContact CG2-CE 4.03Å; I312-M316 HydrophobicContact CG2-CG 4.44Å; I312-M316 HydrophobicContact CG2-SD 4.16Å; I312-M316 VanDerWaalsContact O-CG 3.29Å; I312-M316 WeakPolarHBondContact O-CG 3.48Å; I312-M316 PolarHBondContact O-N 2.89Å; E313-M316 HydrophobicContact CB-CE 4.32Å; E313-M316 PolarHBondContact O-N 3.26Å
317	E	94.8	Very high	92.5	Very high	154 Å²	154	67 Å²	67	72%	0.72	33%	0.326	S	S	*	.	H	α-helix	trans	-75.2	-45.4	-178.4	-69.3	-178.3	161.8	0	0	112.7	E313	E313-E317 HydrophobicContact CG-CG 4.3Å; E313-E317 WeakPolarHBondContact O-CG 3.14Å; E313-E317 PolarHBondContact O-N 3.19Å
318	S	93.8	Very high	92	Very high	73 Å²	73	59.9 Å²	59.9	51%	0.51	31%	0.311	S	S	.	.	H	α-helix	trans	-101.7	-12.1	-171.5	73.4	0	0	0	0	114.2	E314 H320	E314-S318 WeakPolarHBondContact O-CB 3.47Å; E314-S318 PolarHBondContact O-N 3.35Å; E314-S318 PolarHBondContact O-OG 3.26Å; S318-H320 PolarHBondContact O-N 3.11Å; S318-H320 PolarHBondContact OG-N 2.81Å; S318-H320 VanDerWaalsContact OG-N 3.1Å; S318-H320 PolarHBondContact OG-O 2.91Å
319	G	91.5	Very high	91.6	Very high	49 Å²	49	67.2 Å²	67.2	51%	0.505	35%	0.345	S	S	.	.	S	Bend	trans	66.7	7.4	-168.5	0	0	0	0	0	113.5	K258 I315	K258-G319 WeakPolarHBondContact CE-O 3.26Å; K258-G319 PolarHBondContact NZ-O 3.33Å; I315-G319 WeakPolarHBondContact O-CA 3.32Å; I315-G319 PolarHBondContact O-N 3.02Å
320	H	92.1	Very high	91.4	Very high	61 Å²	61	68.4 Å²	68.4	28%	0.282	35%	0.354	S	S	.	.	S	Bend	trans	-140.3	164.9	-174	-170.3	75	0	0	0	111.7	I315 S318 D325	I315-H320 WeakPolarHBondContact CA-O 3.44Å; S318-H320 PolarHBondContact O-N 3.11Å; S318-H320 PolarHBondContact OG-N 2.81Å; S318-H320 VanDerWaalsContact OG-N 3.1Å; S318-H320 PolarHBondContact OG-O 2.91Å; H320-D325 IonicContact CD2-OD2 3.74Å; H320-D325 IonicContact CE1-OD1 3.3Å; H320-D325 PolarHBondContact CE1-OD1 3.4Å; H320-D325 VanDerWaalsContact CE1-OD1 3.3Å; H320-D325 IonicContact CE1-OD2 3.99Å; H320-D325 VanDerWaalsContact NE2-CG 3.35Å; H320-D325 IonicContact NE2-OD1 3.13Å; H320-D325 PolarHBondContact NE2-OD1 3.29Å; H320-D325 VanDerWaalsContact NE2-OD1 3.13Å; H320-D325 IonicContact NE2-OD2 3.09Å; H320-D325 PolarHBondContact NE2-OD2 3.27Å; H320-D325 VanDerWaalsContact NE2-OD2 3.09Å
321	L	92.3	Very high	91.1	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	34%	0.337	C	S	.	.			trans	-131.5	106.1	173.3	-179.7	64.5	0	0	0	108.4	K258 L259 L262 K311 E314 I315 K323 L324	K258-L321 HydrophobicContact CD-CB 4.45Å; L259-L321 HydrophobicContact CD2-CD2 4.23Å; L262-L321 HydrophobicContact CD1-CD2 3.36Å; L262-L321 HydrophobicContact CG-CD2 4.33Å; K311-L321 HydrophobicContact CB-CD1 3.94Å; K311-L321 HydrophobicContact CG-CD1 4.02Å; E314-L321 HydrophobicContact CG-CD1 4.45Å; I315-L321 HydrophobicContact CD1-CB 4.23Å; I315-L321 HydrophobicContact CD1-CD2 4.24Å; I315-L321 HydrophobicContact CG1-CB 3.83Å; I315-L321 HydrophobicContact CG1-CD1 4.36Å; L321-K323 HydrophobicContact CG-CB 4.2Å; L321-K323 PolarHBondContact O-N 3.49Å; L321-L324 HydrophobicContact CB-CD1 4.08Å; L321-L324 HydrophobicContact CB-CG 4.13Å; L321-L324 HydrophobicContact CD2-CG 4.41Å; L321-L324 HydrophobicContact CG-CG 4.49Å; L321-L324 VanDerWaalsContact O-CB 3.24Å; L321-L324 WeakPolarHBondContact O-CB 3.15Å; L321-L324 WeakPolarHBondContact O-CG 3.36Å; L321-L324 PolarHBondContact O-N 2.97Å
322	R	90.9	Very high	91	Very high	160 Å²	160	66.8 Å²	66.8	60%	0.604	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-26.4	-174.8	-69.1	173.9	-68.1	-179.2	-3.4	113.5	E314 L324 D325 H326	E314-R322 WeakPolarHBondContact OE1-CB 3.4Å; E314-R322 VanDerWaalsContact OE1-CG 3.31Å; E314-R322 WeakPolarHBondContact OE1-CG 3.3Å; E314-R322 IonicContact OE1-CZ 4Å; E314-R322 PolarHBondContact OE1-N 2.8Å; E314-R322 IonicContact OE1-NE 3.09Å; E314-R322 PolarHBondContact OE1-NE 3.4Å; E314-R322 VanDerWaalsContact OE1-NE 3.09Å; E314-R322 IonicContact OE1-NH2 2.93Å; E314-R322 IonicContact OE2-CZ 3.6Å; E314-R322 IonicContact OE2-NE 3.4Å; E314-R322 PolarHBondContact OE2-NE 2.96Å; E314-R322 IonicContact OE2-NH2 3.43Å; E314-R322 PolarHBondContact OE2-NH2 3.08Å; R322-L324 PolarHBondContact O-N 3.03Å; R322-D325 PolarHBondContact O-N 3.5Å; R322-H326 PolarHBondContact O-ND1 3.23Å
323	K	87.9	Confident	91	Very high	95 Å²	95	67.9 Å²	67.9	41%	0.413	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.9	176.7	-168.3	58	175.6	174.7	0	112.7	L262 Y266 L321 H326 I327	L262-K323 HydrophobicContact CD1-CB 4.29Å; L262-K323 HydrophobicContact CD1-CG 4.19Å; L262-K323 HydrophobicContact CD2-CG 4Å; Y266-K323 WeakPolarHBondContact OH-CE 3.49Å; L321-K323 HydrophobicContact CG-CB 4.2Å; L321-K323 PolarHBondContact O-N 3.49Å; K323-H326 CarbonylContact O-C 3.5Å; K323-H326 PolarHBondContact O-N 3.11Å; K323-I327 PolarHBondContact O-N 3.22Å
324	L	88.3	Confident	91	Very high	32 Å²	32	65.4 Å²	65.4	17%	0.168	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-38.2	175.7	-66.2	176.6	0	0	0	111.9	K258 V261 L262 L321 R322 H326 I327	K258-L324 HydrophobicContact CB-CD1 3.92Å; K258-L324 HydrophobicContact CD-CD1 4.34Å; K258-L324 HydrophobicContact CG-CD1 3.96Å; V261-L324 HydrophobicContact CB-CD2 3.9Å; V261-L324 HydrophobicContact CG1-CD2 3.73Å; L262-L324 HydrophobicContact CD2-CD2 3.83Å; L262-L324 HydrophobicContact CG-CD2 3.72Å; L321-L324 HydrophobicContact CB-CD1 4.08Å; L321-L324 HydrophobicContact CB-CG 4.13Å; L321-L324 HydrophobicContact CD2-CG 4.41Å; L321-L324 HydrophobicContact CG-CG 4.49Å; L321-L324 VanDerWaalsContact O-CB 3.24Å; L321-L324 WeakPolarHBondContact O-CB 3.15Å; L321-L324 WeakPolarHBondContact O-CG 3.36Å; L321-L324 PolarHBondContact O-N 2.97Å; R322-L324 PolarHBondContact O-N 3.03Å; L324-H326 PolarHBondContact O-N 3.06Å; L324-I327 HydrophobicContact CB-CD1 4.47Å; L324-I327 HydrophobicContact CD2-CD1 3.73Å; L324-I327 WeakPolarHBondContact O-CB 3.41Å; L324-I327 WeakPolarHBondContact O-CG1 3.32Å; L324-I327 PolarHBondContact O-N 3.16Å
325	D	85.7	Confident	90.9	Very high	108 Å²	108	66.2 Å²	66.2	58%	0.578	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.2	177.3	-55.4	-34	0	0	0	112.7	H320 R322	H320-D325 IonicContact CD2-OD2 3.74Å; H320-D325 IonicContact CE1-OD1 3.3Å; H320-D325 PolarHBondContact CE1-OD1 3.4Å; H320-D325 VanDerWaalsContact CE1-OD1 3.3Å; H320-D325 IonicContact CE1-OD2 3.99Å; H320-D325 VanDerWaalsContact NE2-CG 3.35Å; H320-D325 IonicContact NE2-OD1 3.13Å; H320-D325 PolarHBondContact NE2-OD1 3.29Å; H320-D325 VanDerWaalsContact NE2-OD1 3.13Å; H320-D325 IonicContact NE2-OD2 3.09Å; H320-D325 PolarHBondContact NE2-OD2 3.27Å; H320-D325 VanDerWaalsContact NE2-OD2 3.09Å; R322-D325 PolarHBondContact O-N 3.5Å
326	H	85.8	Confident	91	Very high	139 Å²	139	68.5 Å²	68.5	64%	0.644	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	22.3	-178.6	-57.1	82.2	0	0	0	112.1	R322 K323 L324 G328	R322-H326 PolarHBondContact O-ND1 3.23Å; K323-H326 CarbonylContact O-C 3.5Å; K323-H326 PolarHBondContact O-N 3.11Å; L324-H326 PolarHBondContact O-N 3.06Å; H326-G328 PolarHBondContact O-N 3.12Å
327	I	83.4	Confident	91.1	Very high	48 Å²	48	66 Å²	66	25%	0.246	35%	0.352	C	S	.	.			trans	-67.3	112.4	165.5	-68.3	172.9	0	0	0	106.3	V261 L262 A265 K323 L324 V331	V261-I327 HydrophobicContact CG1-CD1 3.73Å; L262-I327 HydrophobicContact CD2-CD1 4.11Å; L262-I327 HydrophobicContact CD2-CG1 4.12Å; A265-I327 HydrophobicContact CB-CD1 4.43Å; A265-I327 HydrophobicContact CB-CG2 4.29Å; K323-I327 PolarHBondContact O-N 3.22Å; L324-I327 HydrophobicContact CB-CD1 4.47Å; L324-I327 HydrophobicContact CD2-CD1 3.73Å; L324-I327 WeakPolarHBondContact O-CB 3.41Å; L324-I327 WeakPolarHBondContact O-CG1 3.32Å; L324-I327 PolarHBondContact O-N 3.16Å; I327-V331 HydrophobicContact CG2-CB 3.59Å; I327-V331 HydrophobicContact CG2-CG1 3.89Å; I327-V331 HydrophobicContact CG2-CG2 3.6Å
328	G	82.3	Confident	91.2	Very high	38 Å²	38	60 Å²	60	39%	0.392	33%	0.326	S	S	.	.			trans	-56.2	145.1	-175.5	0	0	0	0	0	112.3	H326 A330 V331	H326-G328 PolarHBondContact O-N 3.12Å; G328-A330 PolarHBondContact O-N 2.98Å; G328-V331 PolarHBondContact O-N 2.92Å
329	E	87.1	Confident	91.4	Very high	178 Å²	178	59 Å²	59	83%	0.832	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.9	-178.9	-61.6	180	170.7	0	0	113.9	V331 P332	E329-V331 VanDerWaalsContact C-N 3.32Å; E329-V331 PolarHBondContact O-N 3.13Å; E329-P332 WeakPolarHBondContact O-CD 3.02Å
330	A	89.4	Confident	91.7	Very high	24 Å²	24	56.8 Å²	56.8	20%	0.198	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-28.4	174.8	0	0	0	0	0	113.4	G328 V333 L334 Y352	G328-A330 PolarHBondContact O-N 2.98Å; A330-V333 PolarHBondContact O-N 3.48Å; A330-V333 VanDerWaalsContact O-N 3.14Å; A330-L334 HydrophobicContact CB-CD1 4.22Å; A330-L334 HydrophobicContact CB-CG 4.45Å; A330-L334 VanDerWaalsContact O-CG 3.3Å; A330-L334 WeakPolarHBondContact O-CG 3.41Å; A330-L334 PolarHBondContact O-N 2.99Å; A330-Y352 HydrophobicContact CB-CD1 4.36Å; A330-Y352 HydrophobicContact CB-CD2 4.39Å; A330-Y352 HydrophobicContact CB-CE1 3.75Å; A330-Y352 HydrophobicContact CB-CE2 3.79Å; A330-Y352 VanDerWaalsContact CB-CZ 3.44Å
331	V	91.9	Very high	91.8	Very high	8 Å²	8	57 Å²	57	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-47.7	-169.1	173.1	0	0	0	0	113.6	A265 Q269 I327 G328 E329 V333 L334 E335	A265-V331 HydrophobicContact CB-CG1 3.77Å; A265-V331 HydrophobicContact CB-CG2 4.36Å; Q269-V331 HydrophobicContact CG-CG2 4.01Å; I327-V331 HydrophobicContact CG2-CB 3.59Å; I327-V331 HydrophobicContact CG2-CG1 3.89Å; I327-V331 HydrophobicContact CG2-CG2 3.6Å; G328-V331 PolarHBondContact O-N 2.92Å; E329-V331 VanDerWaalsContact C-N 3.32Å; E329-V331 PolarHBondContact O-N 3.13Å; V331-V333 PolarHBondContact O-N 3.23Å; V331-L334 PolarHBondContact O-N 3.14Å; V331-E335 WeakPolarHBondContact O-CB 3.38Å; V331-E335 PolarHBondContact O-N 3.29Å
332	P	93.9	Very high	91.9	Very high	86 Å²	86	58.6 Å²	58.6	56%	0.558	31%	0.306	S	S	*	.	H	α-helix	trans	-58.4	-35.9	176.4	-25.7	35.6	0	0	0	113.1	E329 L336	E329-P332 WeakPolarHBondContact O-CD 3.02Å; P332-L336 WeakPolarHBondContact O-CB 3.39Å; P332-L336 PolarHBondContact O-N 2.94Å
333	V	96	Very high	92.2	Very high	22 Å²	22	51.3 Å²	51.3	13%	0.133	28%	0.28	C	S	.	.	H	α-helix	trans	-73.7	-41.6	178.3	-176.8	0	0	0	0	111.3	A330 V331 E335 L336 F337 Y352	A330-V333 PolarHBondContact O-N 3.48Å; A330-V333 VanDerWaalsContact O-N 3.14Å; V331-V333 PolarHBondContact O-N 3.23Å; V333-E335 VanDerWaalsContact C-N 3.31Å; V333-E335 PolarHBondContact O-N 2.8Å; V333-L336 WeakPolarHBondContact O-CB 3.44Å; V333-L336 PolarHBondContact O-N 3.43Å; V333-F337 HydrophobicContact CG1-CD2 3.94Å; V333-F337 HydrophobicContact CG1-CE1 4.2Å; V333-F337 HydrophobicContact CG1-CE2 3.4Å; V333-F337 VanDerWaalsContact CG1-CE2 3.4Å; V333-F337 HydrophobicContact CG1-CZ 3.55Å; V333-F337 VanDerWaalsContact O-CG 3.3Å; V333-F337 WeakPolarHBondContact O-CG 3.5Å; V333-F337 PolarHBondContact O-N 3.04Å; V333-Y352 HydrophobicContact CB-CD2 3.82Å; V333-Y352 HydrophobicContact CB-CE2 3.84Å; V333-Y352 HydrophobicContact CG1-CD2 3.6Å; V333-Y352 HydrophobicContact CG1-CE2 4.01Å; V333-Y352 HydrophobicContact CG2-CE2 4.1Å
334	L	96.2	Very high	92.5	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175	-67.4	176.2	0	0	0	111	H268 Q269 A330 V331 F337 T338 A348 Q349 Y352	H268-L334 HydrophobicContact CB-CB 4.19Å; Q269-L334 HydrophobicContact CG-CD1 4.21Å; A330-L334 HydrophobicContact CB-CD1 4.22Å; A330-L334 HydrophobicContact CB-CG 4.45Å; A330-L334 VanDerWaalsContact O-CG 3.3Å; A330-L334 WeakPolarHBondContact O-CG 3.41Å; A330-L334 PolarHBondContact O-N 2.99Å; V331-L334 PolarHBondContact O-N 3.14Å; L334-F337 PolarHBondContact O-N 3.09Å; L334-T338 WeakPolarHBondContact O-CB 3.45Å; L334-T338 VanDerWaalsContact O-CG2 3.3Å; L334-T338 WeakPolarHBondContact O-CG2 3.34Å; L334-T338 PolarHBondContact O-N 3.02Å; L334-T338 PolarHBondContact O-OG1 3.43Å; L334-A348 HydrophobicContact CD2-CB 4.11Å; L334-Q349 HydrophobicContact CD2-CG 4.03Å; L334-Y352 HydrophobicContact CD2-CG 4.32Å
335	E	95.3	Very high	92.7	Very high	50 Å²	50	48.4 Å²	48.4	23%	0.234	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-52	171.5	175.8	174.7	165	0	0	111	K264 H268 V331 V333 F337 T338 N339	K264-E335 WeakPolarHBondContact CE-OE1 3.33Å; K264-E335 VanDerWaalsContact CE-OE2 3.31Å; K264-E335 WeakPolarHBondContact CE-OE2 3.39Å; K264-E335 VanDerWaalsContact NZ-CD 3.26Å; K264-E335 IonicContact NZ-OE1 3.27Å; K264-E335 PolarHBondContact NZ-OE1 3.16Å; K264-E335 IonicContact NZ-OE2 3.4Å; K264-E335 PolarHBondContact NZ-OE2 2.99Å; H268-E335 HydrophobicContact CB-CB 4.48Å; H268-E335 IonicContact NE2-OE2 3.65Å; V331-E335 WeakPolarHBondContact O-CB 3.38Å; V331-E335 PolarHBondContact O-N 3.29Å; V333-E335 VanDerWaalsContact C-N 3.31Å; V333-E335 PolarHBondContact O-N 2.8Å; E335-F337 PolarHBondContact O-N 3.46Å; E335-T338 WeakPolarHBondContact CA-OG1 3.35Å; E335-T338 PolarHBondContact O-N 2.95Å; E335-T338 PolarHBondContact O-OG1 3.41Å; E335-N339 WeakPolarHBondContact O-CB 3.49Å; E335-N339 VanDerWaalsContact O-CG 3.26Å; E335-N339 PolarHBondContact O-N 3.04Å; E335-N339 PolarHBondContact O-ND2 3.36Å
336	L	97.3	Very high	93.1	Very high	51 Å²	51	51.4 Å²	51.4	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-51	-45.5	177.9	-175.4	75.2	0	0	0	111.4	P332 V333 L359 Y379	P332-L336 WeakPolarHBondContact O-CB 3.39Å; P332-L336 PolarHBondContact O-N 2.94Å; V333-L336 WeakPolarHBondContact O-CB 3.44Å; V333-L336 PolarHBondContact O-N 3.43Å; L336-L359 HydrophobicContact CD1-CD1 4.22Å; L336-L359 HydrophobicContact CD1-CD2 4.19Å; L336-L359 HydrophobicContact CD1-CG 3.97Å; L336-L359 HydrophobicContact CD2-CD2 4.32Å; L336-L359 HydrophobicContact CD2-CG 4.14Å; L336-L359 HydrophobicContact CG-CD2 3.88Å; L336-L359 HydrophobicContact CG-CG 4.02Å; L336-Y379 WeakPolarHBondContact CA-OH 3.34Å; L336-Y379 HydrophobicContact CD1-CE1 4.49Å; L336-Y379 WeakPolarHBondContact CD1-OH 3.45Å; L336-Y379 VanDerWaalsContact O-CE2 3.3Å; L336-Y379 WeakPolarHBondContact O-CE2 3.36Å; L336-Y379 PolarHBondContact O-OH 3.27Å
337	F	97.9	Very high	93.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-76.2	-40.9	-177.9	-67.5	-13.1	0	0	0	114.3	V333 L334 E335 N339 I340 A343 A348 W351 F356 I362	V333-F337 HydrophobicContact CG1-CD2 3.94Å; V333-F337 HydrophobicContact CG1-CE1 4.2Å; V333-F337 HydrophobicContact CG1-CE2 3.4Å; V333-F337 VanDerWaalsContact CG1-CE2 3.4Å; V333-F337 HydrophobicContact CG1-CZ 3.55Å; V333-F337 VanDerWaalsContact O-CG 3.3Å; V333-F337 WeakPolarHBondContact O-CG 3.5Å; V333-F337 PolarHBondContact O-N 3.04Å; L334-F337 PolarHBondContact O-N 3.09Å; E335-F337 PolarHBondContact O-N 3.46Å; F337-N339 PolarHBondContact O-N 3.16Å; F337-I340 WeakPolarHBondContact O-CB 3.44Å; F337-I340 WeakPolarHBondContact O-CG1 2.92Å; F337-I340 PolarHBondContact O-N 3.06Å; F337-I340 VanDerWaalsContact O-N 3.08Å; F337-A343 WeakPolarHBondContact O-CB 3.24Å; F337-A348 HydrophobicContact CB-CB 3.63Å; F337-W351 HydrophobicContact CB-CE3 3.82Å; F337-W351 HydrophobicContact CB-CZ3 4.15Å; F337-W351 HydrophobicContact CD1-CE3 4.46Å; F337-W351 HydrophobicContact CD2-CB 3.9Å; F337-W351 HydrophobicContact CD2-CE3 4.16Å; F337-W351 HydrophobicContact CE2-CB 3.9Å; F337-W351 AromaticContact CG-CE3 3.9Å; F337-W351 HydrophobicContact CG-CE3 3.9Å; F337-F356 HydrophobicContact CE2-CB 4.1Å; F337-F356 WeakPolarHBondContact CE2-O 3.39Å; F337-F356 HydrophobicContact CZ-CB 3.82Å; F337-F356 WeakPolarHBondContact CZ-O 3.47Å; F337-I362 HydrophobicContact CD1-CD1 4.07Å; F337-I362 HydrophobicContact CD1-CG1 3.79Å; F337-I362 HydrophobicContact CE1-CD1 3.71Å; F337-I362 HydrophobicContact CE1-CG1 3.5Å; F337-I362 VanDerWaalsContact CE1-CG1 3.5Å; F337-I362 HydrophobicContact CE2-CD1 4.19Å; F337-I362 HydrophobicContact CG-CD1 4.47Å; F337-I362 HydrophobicContact CZ-CD1 3.76Å; F337-I362 HydrophobicContact CZ-CG1 4.07Å
338	T	96.7	Very high	94.3	Very high	28 Å²	28	44.3 Å²	44.3	17%	0.172	26%	0.259	C	S	.	.	H	α-helix	trans	-70.2	-18.3	179.1	48.8	0	0	0	0	113.4	H268 L334 E335 I340 A343 A348	H268-T338 PolarHBondContact CE1-OG1 3.25Å; H268-T338 PolarHBondContact ND1-OG1 3.34Å; L334-T338 WeakPolarHBondContact O-CB 3.45Å; L334-T338 VanDerWaalsContact O-CG2 3.3Å; L334-T338 WeakPolarHBondContact O-CG2 3.34Å; L334-T338 PolarHBondContact O-N 3.02Å; L334-T338 PolarHBondContact O-OG1 3.43Å; E335-T338 WeakPolarHBondContact CA-OG1 3.35Å; E335-T338 PolarHBondContact O-N 2.95Å; E335-T338 PolarHBondContact O-OG1 3.41Å; T338-I340 PolarHBondContact O-N 2.64Å; T338-A343 WeakPolarHBondContact CA-O 3.46Å; T338-A348 HydrophobicContact CG2-CB 3.43Å; T338-A348 VanDerWaalsContact CG2-CB 3.43Å
339	N	96.7	Very high	94.9	Very high	52 Å²	52	45.7 Å²	45.7	28%	0.278	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.5	171	-78.2	-10.4	0	0	0	113.2	E335 F337 W341 Y379 L383	E335-N339 WeakPolarHBondContact O-CB 3.49Å; E335-N339 VanDerWaalsContact O-CG 3.26Å; E335-N339 PolarHBondContact O-N 3.04Å; E335-N339 PolarHBondContact O-ND2 3.36Å; F337-N339 PolarHBondContact O-N 3.16Å; N339-W341 PolarHBondContact O-N 2.94Å; N339-Y379 HydrophobicContact CB-CE2 3.66Å; N339-Y379 VanDerWaalsContact CB-OH 3.26Å; N339-Y379 WeakPolarHBondContact CB-OH 3.42Å; N339-L383 HydrophobicContact CB-CD1 4.21Å; N339-L383 HydrophobicContact CB-CD2 3.9Å; N339-L383 HydrophobicContact CB-CG 4.5Å
340	I	97.8	Very high	95.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-71.8	121.3	171	-59.8	174	0	0	0	107.7	F337 T338 G342 A343 W351 L359 I362 L376 Y379	F337-I340 WeakPolarHBondContact O-CB 3.44Å; F337-I340 WeakPolarHBondContact O-CG1 2.92Å; F337-I340 PolarHBondContact O-N 3.06Å; F337-I340 VanDerWaalsContact O-N 3.08Å; T338-I340 PolarHBondContact O-N 2.64Å; I340-G342 PolarHBondContact O-N 3.1Å; I340-A343 HydrophobicContact CB-CB 4.05Å; I340-A343 HydrophobicContact CG2-CB 4.44Å; I340-A343 WeakPolarHBondContact O-CB 3.35Å; I340-A343 PolarHBondContact O-N 2.73Å; I340-W351 HydrophobicContact CD1-CH2 4.26Å; I340-W351 HydrophobicContact CD1-CZ3 3.83Å; I340-L359 HydrophobicContact CD1-CD2 3.81Å; I340-L359 HydrophobicContact CG1-CD2 4.09Å; I340-I362 HydrophobicContact CD1-CB 4.44Å; I340-I362 HydrophobicContact CD1-CG1 4.33Å; I340-I362 HydrophobicContact CD1-CG2 3.93Å; I340-L376 HydrophobicContact CD1-CD1 4.05Å; I340-L376 HydrophobicContact CG1-CD1 4.49Å; I340-L376 HydrophobicContact CG2-CB 4.29Å; I340-Y379 HydrophobicContact CB-CD2 4.44Å; I340-Y379 HydrophobicContact CB-CE2 4.49Å; I340-Y379 HydrophobicContact CG1-CD2 3.67Å; I340-Y379 HydrophobicContact CG1-CE2 3.61Å
341	W	95.9	Very high	95.8	Very high	65 Å²	65	40.5 Å²	40.5	25%	0.246	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	131.6	178.1	-162.5	98.3	0	0	0	110.8	N339 T371 Q372 L382 L460 V461 M473	N339-W341 PolarHBondContact O-N 2.94Å; W341-T371 HydrophobicContact CZ3-CG2 3.73Å; W341-Q372 WeakPolarHBondContact O-CA 3.28Å; W341-L382 HydrophobicContact CB-CD1 4.29Å; W341-L460 HydrophobicContact CD2-CD1 3.76Å; W341-L460 HydrophobicContact CD2-CD2 4.08Å; W341-L460 HydrophobicContact CD2-CG 4.37Å; W341-L460 HydrophobicContact CE3-CB 4.23Å; W341-L460 HydrophobicContact CE3-CD1 4.11Å; W341-L460 HydrophobicContact CE3-CD2 3.66Å; W341-L460 HydrophobicContact CE3-CG 4.22Å; W341-L460 HydrophobicContact CG-CD1 4.24Å; W341-L460 HydrophobicContact CH2-CB 3.66Å; W341-L460 HydrophobicContact CH2-CD1 4.33Å; W341-L460 HydrophobicContact CH2-CG 4.42Å; W341-L460 HydrophobicContact CZ2-CB 4.03Å; W341-L460 HydrophobicContact CZ2-CD1 3.95Å; W341-L460 HydrophobicContact CZ3-CB 3.77Å; W341-L460 HydrophobicContact CZ3-CD1 4.4Å; W341-L460 HydrophobicContact CZ3-CD2 3.98Å; W341-L460 HydrophobicContact CZ3-CG 4.27Å; W341-V461 HydrophobicContact CH2-CG2 3.78Å; W341-M473 HydrophobicContact CZ2-CE 4.08Å; W341-M473 HydrophobicContact CZ2-SD 4.31Å
342	G	93.9	Very high	96	Very high	36 Å²	36	42.6 Å²	42.6	37%	0.371	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	1.5	-174.9	0	0	0	0	0	114.8	I340 Q372	I340-G342 PolarHBondContact O-N 3.1Å; G342-Q372 WeakPolarHBondContact O-CG 3.28Å; G342-Q372 PolarHBondContact O-NE2 2.97Å
343	A	96.6	Very high	96.1	Very high	7 Å²	7	45.6 Å²	45.6	6%	0.058	24%	0.243	C	C	.	.			trans	-110.7	104.6	174.1	0	0	0	0	0	111.5	F337 T338 I340 T347 W351	F337-A343 WeakPolarHBondContact O-CB 3.24Å; T338-A343 WeakPolarHBondContact CA-O 3.46Å; I340-A343 HydrophobicContact CB-CB 4.05Å; I340-A343 HydrophobicContact CG2-CB 4.44Å; I340-A343 WeakPolarHBondContact O-CB 3.35Å; I340-A343 PolarHBondContact O-N 2.73Å; A343-T347 HydrophobicContact CB-CG2 4.2Å; A343-W351 HydrophobicContact CB-CH2 3.54Å; A343-W351 HydrophobicContact CB-CZ3 3.57Å
344	G	93.4	Very high	96.2	Very high	41 Å²	41	49.6 Å²	49.6	42%	0.423	26%	0.261	S	S	.	.			trans	-82.7	177.7	173.2	0	0	0	0	0	113.2	K346 T347 A348	G344-K346 PolarHBondContact O-N 2.92Å; G344-K346 VanDerWaalsContact O-N 3.15Å; G344-T347 PolarHBondContact O-N 3.49Å; G344-A348 PolarHBondContact O-N 2.83Å
345	A	92.6	Very high	96.2	Very high	25 Å²	25	51.2 Å²	51.2	21%	0.207	28%	0.279	C	S	.	.	H	α-helix	trans	-53.6	-36.9	179.1	0	0	0	0	0	113.5	G270 Q349	G270-A345 VanDerWaalsContact CA-CB 3.49Å; A345-Q349 WeakPolarHBondContact O-CB 3.24Å; A345-Q349 WeakPolarHBondContact O-CG 3.39Å; A345-Q349 PolarHBondContact O-N 3.06Å
346	K	94.6	Very high	96.3	Very high	172 Å²	172	49.8 Å²	49.8	75%	0.748	27%	0.272	S	S	*	.	H	α-helix	trans	-61.9	-49.2	175.9	-69	-176	179	177.1	0	111.7	G344 Q349 L350	G344-K346 PolarHBondContact O-N 2.92Å; G344-K346 VanDerWaalsContact O-N 3.15Å; K346-Q349 PolarHBondContact O-N 2.59Å; K346-L350 PolarHBondContact O-N 3.03Å
347	T	96.8	Very high	96.4	Very high	37 Å²	37	52 Å²	52	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-45.5	178.4	-50.2	0	0	0	0	111.2	A343 G344 Q349 L350 W351	A343-T347 HydrophobicContact CB-CG2 4.2Å; G344-T347 PolarHBondContact O-N 3.49Å; T347-Q349 PolarHBondContact O-N 2.74Å; T347-L350 WeakPolarHBondContact O-CB 3.45Å; T347-L350 PolarHBondContact O-N 3.25Å; T347-W351 HydrophobicContact CG2-CD2 4.02Å; T347-W351 HydrophobicContact CG2-CE3 4.3Å; T347-W351 HydrophobicContact CG2-CH2 3.73Å; T347-W351 HydrophobicContact CG2-CZ2 3.4Å; T347-W351 HydrophobicContact CG2-CZ3 4.15Å; T347-W351 PolarHBondContact O-N 3.47Å
348	A	96.9	Very high	96.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-41.5	177.3	0	0	0	0	0	112.5	L334 F337 T338 G344 W351 Y352	L334-A348 HydrophobicContact CD2-CB 4.11Å; F337-A348 HydrophobicContact CB-CB 3.63Å; T338-A348 HydrophobicContact CG2-CB 3.43Å; T338-A348 VanDerWaalsContact CG2-CB 3.43Å; G344-A348 PolarHBondContact O-N 2.83Å; A348-W351 PolarHBondContact O-N 2.85Å; A348-Y352 WeakPolarHBondContact O-CB 3.31Å; A348-Y352 PolarHBondContact O-N 2.76Å
349	Q	95.3	Very high	96.4	Very high	68 Å²	68	55.3 Å²	55.3	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-42	174.4	-76.6	174.7	-0.1	0	0	112.1	Q269 L334 A345 K346 T347 Y352 Q353	Q269-Q349 PolarHBondContact O-NE2 2.95Å; L334-Q349 HydrophobicContact CD2-CG 4.03Å; A345-Q349 WeakPolarHBondContact O-CB 3.24Å; A345-Q349 WeakPolarHBondContact O-CG 3.39Å; A345-Q349 PolarHBondContact O-N 3.06Å; K346-Q349 PolarHBondContact O-N 2.59Å; T347-Q349 PolarHBondContact O-N 2.74Å; Q349-Y352 PolarHBondContact O-N 3.08Å; Q349-Q353 WeakPolarHBondContact O-CB 3.44Å; Q349-Q353 VanDerWaalsContact O-CG 3.24Å; Q349-Q353 WeakPolarHBondContact O-CG 3.47Å; Q349-Q353 PolarHBondContact O-N 2.99Å
350	L	97	Very high	96.5	Very high	87 Å²	87	56.9 Å²	56.9	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-50.3	176.2	176.1	63.7	0	0	0	111	K346 T347 Y352 Q353 Q354	K346-L350 PolarHBondContact O-N 3.03Å; T347-L350 WeakPolarHBondContact O-CB 3.45Å; T347-L350 PolarHBondContact O-N 3.25Å; L350-Y352 VanDerWaalsContact C-N 3.3Å; L350-Y352 PolarHBondContact O-N 2.63Å; L350-Q353 PolarHBondContact O-N 3.1Å; L350-Q353 VanDerWaalsContact O-N 3.16Å; L350-Q354 WeakPolarHBondContact O-CG 3.5Å; L350-Q354 PolarHBondContact O-N 3.17Å
351	W	98.1	Very high	96.5	Very high	6 Å²	6	58 Å²	58	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-41.2	176.2	-69.3	-20.2	0	0	0	112.4	F337 I340 A343 T347 A348 Q353 Q354 G355 F356 I362 L368	F337-W351 HydrophobicContact CB-CE3 3.82Å; F337-W351 HydrophobicContact CB-CZ3 4.15Å; F337-W351 HydrophobicContact CD1-CE3 4.46Å; F337-W351 HydrophobicContact CD2-CB 3.9Å; F337-W351 HydrophobicContact CD2-CE3 4.16Å; F337-W351 HydrophobicContact CE2-CB 3.9Å; F337-W351 AromaticContact CG-CE3 3.9Å; F337-W351 HydrophobicContact CG-CE3 3.9Å; I340-W351 HydrophobicContact CD1-CH2 4.26Å; I340-W351 HydrophobicContact CD1-CZ3 3.83Å; A343-W351 HydrophobicContact CB-CH2 3.54Å; A343-W351 HydrophobicContact CB-CZ3 3.57Å; T347-W351 HydrophobicContact CG2-CD2 4.02Å; T347-W351 HydrophobicContact CG2-CE3 4.3Å; T347-W351 HydrophobicContact CG2-CH2 3.73Å; T347-W351 HydrophobicContact CG2-CZ2 3.4Å; T347-W351 HydrophobicContact CG2-CZ3 4.15Å; T347-W351 PolarHBondContact O-N 3.47Å; A348-W351 PolarHBondContact O-N 2.85Å; W351-Q353 PolarHBondContact O-N 3.08Å; W351-Q354 PolarHBondContact O-N 2.81Å; W351-G355 PolarHBondContact O-N 2.92Å; W351-F356 HydrophobicContact CB-CB 4.42Å; W351-F356 HydrophobicContact CB-CD2 3.78Å; W351-F356 HydrophobicContact CG-CD2 4.04Å; W351-F356 WeakPolarHBondContact O-CB 3.21Å; W351-F356 PolarHBondContact O-N 3.21Å; W351-I362 HydrophobicContact CB-CD1 3.85Å; W351-I362 HydrophobicContact CD2-CD1 3.61Å; W351-I362 HydrophobicContact CE3-CD1 3.66Å; W351-I362 HydrophobicContact CE3-CG1 4.26Å; W351-I362 HydrophobicContact CG-CD1 3.71Å; W351-I362 HydrophobicContact CH2-CG2 4.18Å; W351-I362 HydrophobicContact CZ2-CG2 4.32Å; W351-I362 HydrophobicContact CZ3-CD1 4.42Å; W351-I362 HydrophobicContact CZ3-CG2 4.3Å; W351-L368 HydrophobicContact CH2-CD2 3.98Å; W351-L368 HydrophobicContact CZ2-CD2 3.41Å; W351-L368 VanDerWaalsContact CZ2-CD2 3.41Å
352	Y	96.8	Very high	96.6	Very high	52 Å²	52	54.9 Å²	54.9	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-42.5	175.4	-170.8	-90.4	0	0	0	112.2	A330 V333 L334 A348 Q349 L350 Q354 G355 R357	A330-Y352 HydrophobicContact CB-CD1 4.36Å; A330-Y352 HydrophobicContact CB-CD2 4.39Å; A330-Y352 HydrophobicContact CB-CE1 3.75Å; A330-Y352 HydrophobicContact CB-CE2 3.79Å; A330-Y352 VanDerWaalsContact CB-CZ 3.44Å; V333-Y352 HydrophobicContact CB-CD2 3.82Å; V333-Y352 HydrophobicContact CB-CE2 3.84Å; V333-Y352 HydrophobicContact CG1-CD2 3.6Å; V333-Y352 HydrophobicContact CG1-CE2 4.01Å; V333-Y352 HydrophobicContact CG2-CE2 4.1Å; L334-Y352 HydrophobicContact CD2-CG 4.32Å; A348-Y352 WeakPolarHBondContact O-CB 3.31Å; A348-Y352 PolarHBondContact O-N 2.76Å; Q349-Y352 PolarHBondContact O-N 3.08Å; L350-Y352 VanDerWaalsContact C-N 3.3Å; L350-Y352 PolarHBondContact O-N 2.63Å; Y352-Q354 VanDerWaalsContact C-N 3.29Å; Y352-Q354 PolarHBondContact O-N 2.77Å; Y352-G355 PolarHBondContact O-N 3.32Å; Y352-R357 VanDerWaalsContact CE2-CZ 3.4Å; Y352-R357 PolarHBondContact O-NH1 2.94Å
353	Q	96.4	Very high	96.8	Very high	148 Å²	148	59.7 Å²	59.7	69%	0.692	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-31.1	176.9	-72.3	170.4	20.1	0	0	112.4	Q349 L350 W351 G355	Q349-Q353 WeakPolarHBondContact O-CB 3.44Å; Q349-Q353 VanDerWaalsContact O-CG 3.24Å; Q349-Q353 WeakPolarHBondContact O-CG 3.47Å; Q349-Q353 PolarHBondContact O-N 2.99Å; L350-Q353 PolarHBondContact O-N 3.1Å; L350-Q353 VanDerWaalsContact O-N 3.16Å; W351-Q353 PolarHBondContact O-N 3.08Å; Q353-G355 PolarHBondContact O-N 3.24Å
354	Q	97.3	Very high	96.8	Very high	107 Å²	107	63.6 Å²	63.6	50%	0.5	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-3.1	171.8	-70.2	173	-27.9	0	0	113.5	L350 W351 Y352 F356	L350-Q354 WeakPolarHBondContact O-CG 3.5Å; L350-Q354 PolarHBondContact O-N 3.17Å; W351-Q354 PolarHBondContact O-N 2.81Å; Y352-Q354 VanDerWaalsContact C-N 3.29Å; Y352-Q354 PolarHBondContact O-N 2.77Å; Q354-F356 HydrophobicContact CB-CD2 4.26Å; Q354-F356 HydrophobicContact CB-CE1 4.32Å; Q354-F356 HydrophobicContact CB-CE2 4.01Å; Q354-F356 HydrophobicContact CB-CZ 4.04Å
355	G	97.2	Very high	96.9	Very high	42 Å²	42	67.4 Å²	67.4	43%	0.433	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	5.6	177.8	0	0	0	0	0	114.3	W351 Y352 Q353 R357	W351-G355 PolarHBondContact O-N 2.92Å; Y352-G355 PolarHBondContact O-N 3.32Å; Q353-G355 PolarHBondContact O-N 3.24Å; G355-R357 VanDerWaalsContact C-NH1 3.28Å
356	F	98.2	Very high	97.1	Very high	21 Å²	21	67 Å²	67	9%	0.092	33%	0.33	C	S	.	.			trans	-71.6	137.3	177.1	-53.9	-26	0	0	0	110.4	F337 W351 Q354 D361 I362 K365 A366	F337-F356 HydrophobicContact CE2-CB 4.1Å; F337-F356 WeakPolarHBondContact CE2-O 3.39Å; F337-F356 HydrophobicContact CZ-CB 3.82Å; F337-F356 WeakPolarHBondContact CZ-O 3.47Å; W351-F356 HydrophobicContact CB-CB 4.42Å; W351-F356 HydrophobicContact CB-CD2 3.78Å; W351-F356 HydrophobicContact CG-CD2 4.04Å; W351-F356 WeakPolarHBondContact O-CB 3.21Å; W351-F356 PolarHBondContact O-N 3.21Å; Q354-F356 HydrophobicContact CB-CD2 4.26Å; Q354-F356 HydrophobicContact CB-CE1 4.32Å; Q354-F356 HydrophobicContact CB-CE2 4.01Å; Q354-F356 HydrophobicContact CB-CZ 4.04Å; F356-D361 HydrophobicContact CB-CB 3.73Å; F356-D361 HydrophobicContact CD1-CB 3.92Å; F356-D361 HydrophobicContact CG-CB 3.97Å; F356-I362 HydrophobicContact CB-CD1 3.86Å; F356-I362 HydrophobicContact CD2-CD1 3.67Å; F356-I362 HydrophobicContact CG-CD1 4.12Å; F356-K365 HydrophobicContact CD1-CB 4.38Å; F356-K365 HydrophobicContact CD1-CD 4.21Å; F356-K365 HydrophobicContact CE1-CB 3.54Å; F356-K365 HydrophobicContact CE1-CD 3.85Å; F356-K365 HydrophobicContact CE1-CG 4.33Å; F356-K365 HydrophobicContact CZ-CB 3.64Å; F356-A366 HydrophobicContact CD2-CB 4.27Å; F356-A366 HydrophobicContact CE2-CB 3.77Å
357	R	97.6	Very high	97.1	Very high	97 Å²	97	67.5 Å²	67.5	37%	0.366	34%	0.335	S	S	.	.			trans	-129.6	-15.4	-179.1	-62.4	-65.7	177.6	-88.8	2.6	113.6	Y352 G355 D361	Y352-R357 VanDerWaalsContact CE2-CZ 3.4Å; Y352-R357 PolarHBondContact O-NH1 2.94Å; G355-R357 VanDerWaalsContact C-NH1 3.28Å; R357-D361 PolarHBondContact N-OD2 2.9Å
358	T	98.2	Very high	97.1	Very high	65 Å²	65	67.1 Å²	67.1	40%	0.399	33%	0.331	S	S	.	.	S	Bend	trans	-130	160.2	-174	66.9	0	0	0	0	111.9	D360 D361 I362	T358-D360 PolarHBondContact O-N 3.12Å; T358-D360 PolarHBondContact OG1-N 3.09Å; T358-D361 PolarHBondContact N-OD2 3.19Å; T358-D361 WeakPolarHBondContact O-CB 3.41Å; T358-D361 PolarHBondContact O-N 3.37Å; T358-D361 PolarHBondContact OG1-N 2.73Å; T358-D361 VanDerWaalsContact OG1-N 3.11Å; T358-D361 PolarHBondContact OG1-OD2 3.32Å; T358-I362 PolarHBondContact O-N 2.88Å
359	L	97.9	Very high	97.1	Very high	32 Å²	32	69.6 Å²	69.6	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-26.7	171.8	-64.9	179.6	0	0	0	112.4	L336 I340 I362 R363 L376 Y379	L336-L359 HydrophobicContact CD1-CD1 4.22Å; L336-L359 HydrophobicContact CD1-CD2 4.19Å; L336-L359 HydrophobicContact CD1-CG 3.97Å; L336-L359 HydrophobicContact CD2-CD2 4.32Å; L336-L359 HydrophobicContact CD2-CG 4.14Å; L336-L359 HydrophobicContact CG-CD2 3.88Å; L336-L359 HydrophobicContact CG-CG 4.02Å; I340-L359 HydrophobicContact CD1-CD2 3.81Å; I340-L359 HydrophobicContact CG1-CD2 4.09Å; L359-I362 PolarHBondContact O-N 3.23Å; L359-R363 WeakPolarHBondContact O-CB 3.33Å; L359-R363 PolarHBondContact O-N 3.16Å; L359-L376 HydrophobicContact CB-CD1 4.28Å; L359-L376 HydrophobicContact CD2-CD1 4.12Å; L359-Y379 HydrophobicContact CD1-CD1 3.68Å; L359-Y379 HydrophobicContact CD1-CD2 4.39Å; L359-Y379 HydrophobicContact CD1-CE1 3.74Å; L359-Y379 HydrophobicContact CD1-CE2 4.41Å; L359-Y379 HydrophobicContact CD1-CG 4.01Å; L359-Y379 HydrophobicContact CD2-CD2 4.25Å; L359-Y379 HydrophobicContact CD2-CE2 3.96Å
360	D	98.1	Very high	97.1	Very high	86 Å²	86	70.3 Å²	70.3	46%	0.46	36%	0.359	S	S	.	.	H	α-helix	trans	-71.6	-36.6	176.6	-164.4	63.9	0	0	0	112.4	T358 I362 R363 T364	T358-D360 PolarHBondContact O-N 3.12Å; T358-D360 PolarHBondContact OG1-N 3.09Å; D360-I362 VanDerWaalsContact C-N 3.27Å; D360-I362 PolarHBondContact O-N 3.14Å; D360-R363 PolarHBondContact O-N 2.59Å; D360-R363 IonicContact OD1-NH1 3.99Å; D360-R363 PolarHBondContact OD1-NH1 2.85Å; D360-T364 WeakPolarHBondContact O-CB 3.41Å; D360-T364 WeakPolarHBondContact O-CG2 3.15Å; D360-T364 PolarHBondContact O-N 2.92Å; D360-T364 PolarHBondContact O-OG1 3.3Å
361	D	98.1	Very high	97	Very high	23 Å²	23	67.5 Å²	67.5	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-44.1	169	-63.9	-50.9	0	0	0	110.7	F356 R357 T358 T364 K365	F356-D361 HydrophobicContact CB-CB 3.73Å; F356-D361 HydrophobicContact CD1-CB 3.92Å; F356-D361 HydrophobicContact CG-CB 3.97Å; R357-D361 PolarHBondContact N-OD2 2.9Å; T358-D361 PolarHBondContact N-OD2 3.19Å; T358-D361 WeakPolarHBondContact O-CB 3.41Å; T358-D361 PolarHBondContact O-N 3.37Å; T358-D361 PolarHBondContact OG1-N 2.73Å; T358-D361 VanDerWaalsContact OG1-N 3.11Å; T358-D361 PolarHBondContact OG1-OD2 3.32Å; D361-T364 PolarHBondContact O-N 2.82Å; D361-K365 HydrophobicContact CB-CD 4.41Å; D361-K365 WeakPolarHBondContact O-CA 3.43Å; D361-K365 VanDerWaalsContact O-CB 3.27Å; D361-K365 WeakPolarHBondContact O-CB 3.42Å; D361-K365 PolarHBondContact O-N 2.93Å; D361-K365 IonicContact OD1-NZ 2.72Å; D361-K365 PolarHBondContact OD1-NZ 3.35Å
362	I	98.1	Very high	97	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-44	177.7	-55.5	-50.4	0	0	0	110.7	F337 I340 W351 F356 T358 L359 D360 T364 A366 L368 L376	F337-I362 HydrophobicContact CD1-CD1 4.07Å; F337-I362 HydrophobicContact CD1-CG1 3.79Å; F337-I362 HydrophobicContact CE1-CD1 3.71Å; F337-I362 HydrophobicContact CE1-CG1 3.5Å; F337-I362 VanDerWaalsContact CE1-CG1 3.5Å; F337-I362 HydrophobicContact CE2-CD1 4.19Å; F337-I362 HydrophobicContact CG-CD1 4.47Å; F337-I362 HydrophobicContact CZ-CD1 3.76Å; F337-I362 HydrophobicContact CZ-CG1 4.07Å; I340-I362 HydrophobicContact CD1-CB 4.44Å; I340-I362 HydrophobicContact CD1-CG1 4.33Å; I340-I362 HydrophobicContact CD1-CG2 3.93Å; W351-I362 HydrophobicContact CB-CD1 3.85Å; W351-I362 HydrophobicContact CD2-CD1 3.61Å; W351-I362 HydrophobicContact CE3-CD1 3.66Å; W351-I362 HydrophobicContact CE3-CG1 4.26Å; W351-I362 HydrophobicContact CG-CD1 3.71Å; W351-I362 HydrophobicContact CH2-CG2 4.18Å; W351-I362 HydrophobicContact CZ2-CG2 4.32Å; W351-I362 HydrophobicContact CZ3-CD1 4.42Å; W351-I362 HydrophobicContact CZ3-CG2 4.3Å; F356-I362 HydrophobicContact CB-CD1 3.86Å; F356-I362 HydrophobicContact CD2-CD1 3.67Å; F356-I362 HydrophobicContact CG-CD1 4.12Å; T358-I362 PolarHBondContact O-N 2.88Å; L359-I362 PolarHBondContact O-N 3.23Å; D360-I362 VanDerWaalsContact C-N 3.27Å; D360-I362 PolarHBondContact O-N 3.14Å; I362-T364 VanDerWaalsContact C-N 3.33Å; I362-T364 PolarHBondContact O-N 3.36Å; I362-A366 HydrophobicContact CB-CB 4.48Å; I362-A366 HydrophobicContact CD1-CB 4.33Å; I362-A366 HydrophobicContact CG2-CB 4.03Å; I362-A366 WeakPolarHBondContact O-CB 3.43Å; I362-A366 PolarHBondContact O-N 3.44Å; I362-L368 HydrophobicContact CG2-CD1 4.18Å; I362-L368 HydrophobicContact CG2-CD2 3.67Å; I362-L368 HydrophobicContact CG2-CG 4.46Å; I362-L376 HydrophobicContact CG2-CD2 4.17Å
363	R	97	Very high	97	Very high	138 Å²	138	71.5 Å²	71.5	52%	0.521	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-37.4	-179.7	-169.9	176	-65.4	104.8	2.2	113.3	L359 D360 L376	L359-R363 WeakPolarHBondContact O-CB 3.33Å; L359-R363 PolarHBondContact O-N 3.16Å; D360-R363 PolarHBondContact O-N 2.59Å; D360-R363 IonicContact OD1-NH1 3.99Å; D360-R363 PolarHBondContact OD1-NH1 2.85Å; R363-L376 HydrophobicContact CB-CD2 3.97Å; R363-L376 HydrophobicContact CG-CD2 4.37Å
364	T	96.4	Very high	97.1	Very high	88 Å²	88	65.5 Å²	65.5	54%	0.54	34%	0.336	S	S	.	.	H	α-helix	trans	-101.6	-26.9	-169.2	56.9	0	0	0	0	113.9	D360 D361 I362	D360-T364 WeakPolarHBondContact O-CB 3.41Å; D360-T364 WeakPolarHBondContact O-CG2 3.15Å; D360-T364 PolarHBondContact O-N 2.92Å; D360-T364 PolarHBondContact O-OG1 3.3Å; D361-T364 PolarHBondContact O-N 2.82Å; I362-T364 VanDerWaalsContact C-N 3.33Å; I362-T364 PolarHBondContact O-N 3.36Å
365	K	96.9	Very high	97.1	Very high	122 Å²	122	60.5 Å²	60.5	53%	0.53	31%	0.313	S	S	.	.	H	α-helix	trans	-122.1	-25.1	-169.3	-57.2	164.4	-170.3	167.1	0	114	F356 D361	F356-K365 HydrophobicContact CD1-CB 4.38Å; F356-K365 HydrophobicContact CD1-CD 4.21Å; F356-K365 HydrophobicContact CE1-CB 3.54Å; F356-K365 HydrophobicContact CE1-CD 3.85Å; F356-K365 HydrophobicContact CE1-CG 4.33Å; F356-K365 HydrophobicContact CZ-CB 3.64Å; D361-K365 HydrophobicContact CB-CD 4.41Å; D361-K365 WeakPolarHBondContact O-CA 3.43Å; D361-K365 VanDerWaalsContact O-CB 3.27Å; D361-K365 WeakPolarHBondContact O-CB 3.42Å; D361-K365 PolarHBondContact O-N 2.93Å; D361-K365 IonicContact OD1-NZ 2.72Å; D361-K365 PolarHBondContact OD1-NZ 3.35Å
366	A	96.5	Very high	97.1	Very high	15 Å²	15	59 Å²	59	12%	0.124	30%	0.296	C	S	.	.	S	Bend	trans	-82.2	144.4	-176.1	0	0	0	0	0	112	F356 I362 L368	F356-A366 HydrophobicContact CD2-CB 4.27Å; F356-A366 HydrophobicContact CE2-CB 3.77Å; I362-A366 HydrophobicContact CB-CB 4.48Å; I362-A366 HydrophobicContact CD1-CB 4.33Å; I362-A366 HydrophobicContact CG2-CB 4.03Å; I362-A366 WeakPolarHBondContact O-CB 3.43Å; I362-A366 PolarHBondContact O-N 3.44Å; A366-L368 HydrophobicContact CB-CD2 3.9Å; A366-L368 HydrophobicContact CB-CG 4.45Å; A366-L368 PolarHBondContact O-N 2.97Å
367	H	94.9	Very high	97.1	Very high	184 Å²	184	64.2 Å²	64.2	85%	0.852	32%	0.318	S	S	*	.			trans	-80.9	116	165	-65.6	-65.4	0	0	0	109
368	L	97	Very high	97.1	Very high	28 Å²	28	60.1 Å²	60.1	15%	0.147	30%	0.303	C	S	.	.			trans	-111.4	138.6	-176.2	-56.7	-178.1	0	0	0	111.3	W351 I362 A366 Q372 K373 L376	W351-L368 HydrophobicContact CH2-CD2 3.98Å; W351-L368 HydrophobicContact CZ2-CD2 3.41Å; W351-L368 VanDerWaalsContact CZ2-CD2 3.41Å; I362-L368 HydrophobicContact CG2-CD1 4.18Å; I362-L368 HydrophobicContact CG2-CD2 3.67Å; I362-L368 HydrophobicContact CG2-CG 4.46Å; A366-L368 HydrophobicContact CB-CD2 3.9Å; A366-L368 HydrophobicContact CB-CG 4.45Å; A366-L368 PolarHBondContact O-N 2.97Å; L368-Q372 HydrophobicContact CB-CB 4.04Å; L368-Q372 HydrophobicContact CD2-CB 4.24Å; L368-K373 HydrophobicContact CB-CG 3.7Å; L368-K373 HydrophobicContact CD1-CG 4.14Å; L368-K373 WeakPolarHBondContact O-CE 3.43Å; L368-L376 HydrophobicContact CD1-CD2 3.73Å
369	T	96.4	Very high	97.1	Very high	52 Å²	52	57.9 Å²	57.9	32%	0.319	29%	0.287	S	S	.	.			trans	-63.9	164.4	165.2	66.1	0	0	0	0	110.6	T371 Q372 K373	T369-T371 VanDerWaalsContact C-N 3.25Å; T369-T371 PolarHBondContact O-N 2.74Å; T369-T371 PolarHBondContact OG1-OG1 3Å; T369-Q372 VanDerWaalsContact N-OE1 3.09Å; T369-Q372 PolarHBondContact O-N 3.19Å; T369-Q372 WeakPolarHBondContact OG1-CB 3.4Å; T369-Q372 VanDerWaalsContact OG1-CD 3.26Å; T369-Q372 WeakPolarHBondContact OG1-CG 3.41Å; T369-Q372 PolarHBondContact OG1-N 3.17Å; T369-Q372 VanDerWaalsContact OG1-N 3.11Å; T369-Q372 PolarHBondContact OG1-OE1 3.3Å; T369-K373 WeakPolarHBondContact O-CG 3.04Å; T369-K373 PolarHBondContact O-N 2.87Å
370	S	94.5	Very high	97.1	Very high	84 Å²	84	62 Å²	62	59%	0.587	31%	0.31	S	S	*	.	H	α-helix	trans	-53.6	-46	174	50.2	0	0	0	0	111.5	K373 I374	S370-K373 WeakPolarHBondContact O-CB 3.1Å; S370-K373 PolarHBondContact O-N 3.39Å; S370-I374 PolarHBondContact O-N 3.01Å
371	T	95.2	Very high	97.1	Very high	27 Å²	27	59.3 Å²	59.3	17%	0.166	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-43.2	178.1	48	0	0	0	0	113.6	W341 T369 K373 I374 G375 L460	W341-T371 HydrophobicContact CZ3-CG2 3.73Å; T369-T371 VanDerWaalsContact C-N 3.25Å; T369-T371 PolarHBondContact O-N 2.74Å; T369-T371 PolarHBondContact OG1-OG1 3Å; T371-K373 VanDerWaalsContact C-N 3.32Å; T371-K373 PolarHBondContact O-N 3.01Å; T371-I374 PolarHBondContact O-N 3.3Å; T371-G375 PolarHBondContact O-N 2.89Å; T371-L460 HydrophobicContact CG2-CB 4.5Å; T371-L460 WeakPolarHBondContact CG2-O 3.26Å
372	Q	97.3	Very high	97	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-33.1	177.1	-73.1	163.1	0.2	0	0	112.2	W341 G342 L368 T369 G375 L376	W341-Q372 WeakPolarHBondContact O-CA 3.28Å; G342-Q372 WeakPolarHBondContact O-CG 3.28Å; G342-Q372 PolarHBondContact O-NE2 2.97Å; L368-Q372 HydrophobicContact CB-CB 4.04Å; L368-Q372 HydrophobicContact CD2-CB 4.24Å; T369-Q372 VanDerWaalsContact N-OE1 3.09Å; T369-Q372 PolarHBondContact O-N 3.19Å; T369-Q372 WeakPolarHBondContact OG1-CB 3.4Å; T369-Q372 VanDerWaalsContact OG1-CD 3.26Å; T369-Q372 WeakPolarHBondContact OG1-CG 3.41Å; T369-Q372 PolarHBondContact OG1-N 3.17Å; T369-Q372 VanDerWaalsContact OG1-N 3.11Å; T369-Q372 PolarHBondContact OG1-OE1 3.3Å; Q372-G375 PolarHBondContact O-N 2.81Å; Q372-L376 VanDerWaalsContact O-CB 3.32Å; Q372-L376 WeakPolarHBondContact O-CB 3.38Å; Q372-L376 PolarHBondContact O-N 3.49Å
373	K	97.9	Very high	96.9	Very high	127 Å²	127	63.8 Å²	63.8	55%	0.552	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-43.2	173.1	-69.4	172.4	-175.9	175.4	0	111.3	L368 T369 S370 T371 L376 K377	L368-K373 HydrophobicContact CB-CG 3.7Å; L368-K373 HydrophobicContact CD1-CG 4.14Å; L368-K373 WeakPolarHBondContact O-CE 3.43Å; T369-K373 WeakPolarHBondContact O-CG 3.04Å; T369-K373 PolarHBondContact O-N 2.87Å; S370-K373 WeakPolarHBondContact O-CB 3.1Å; S370-K373 PolarHBondContact O-N 3.39Å; T371-K373 VanDerWaalsContact C-N 3.32Å; T371-K373 PolarHBondContact O-N 3.01Å; K373-L376 PolarHBondContact O-N 3.04Å; K373-K377 VanDerWaalsContact O-CB 3.32Å; K373-K377 WeakPolarHBondContact O-CB 3.36Å; K373-K377 PolarHBondContact O-N 3.12Å
374	I	97.8	Very high	96.9	Very high	22 Å²	22	60.1 Å²	60.1	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-45	175.6	-62.4	162.4	0	0	0	110.3	S370 T371 L376 K377 H378 D458 D459 L460 V475	S370-I374 PolarHBondContact O-N 3.01Å; T371-I374 PolarHBondContact O-N 3.3Å; I374-L376 VanDerWaalsContact C-N 3.26Å; I374-L376 PolarHBondContact O-N 3.49Å; I374-K377 WeakPolarHBondContact O-CB 3.17Å; I374-K377 PolarHBondContact O-N 3.49Å; I374-K377 VanDerWaalsContact O-N 3.17Å; I374-H378 PolarHBondContact O-N 2.97Å; I374-D458 HydrophobicContact CD1-CB 4.06Å; I374-D458 HydrophobicContact CG1-CB 4.16Å; I374-D458 HydrophobicContact CG2-CB 3.62Å; I374-D459 WeakPolarHBondContact CD1-O 2.94Å; I374-L460 HydrophobicContact CB-CD2 3.73Å; I374-L460 HydrophobicContact CD1-CD2 4.07Å; I374-L460 HydrophobicContact CG2-CD2 3.56Å; I374-L460 HydrophobicContact CG2-CG 4.47Å; I374-V475 HydrophobicContact CG2-CG2 3.98Å
375	G	97.5	Very high	96.9	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-38.5	175.2	0	0	0	0	0	113.1	T371 Q372 Y379	T371-G375 PolarHBondContact O-N 2.89Å; Q372-G375 PolarHBondContact O-N 2.81Å; G375-Y379 VanDerWaalsContact O-CA 3.31Å; G375-Y379 WeakPolarHBondContact O-CA 3.36Å; G375-Y379 PolarHBondContact O-N 3.07Å
376	L	97.9	Very high	97	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-75.6	-36.5	176.2	-177.3	62.4	0	0	0	112.6	I340 L359 I362 R363 L368 Q372 K373 I374 H378	I340-L376 HydrophobicContact CD1-CD1 4.05Å; I340-L376 HydrophobicContact CG1-CD1 4.49Å; I340-L376 HydrophobicContact CG2-CB 4.29Å; L359-L376 HydrophobicContact CB-CD1 4.28Å; L359-L376 HydrophobicContact CD2-CD1 4.12Å; I362-L376 HydrophobicContact CG2-CD2 4.17Å; R363-L376 HydrophobicContact CB-CD2 3.97Å; R363-L376 HydrophobicContact CG-CD2 4.37Å; L368-L376 HydrophobicContact CD1-CD2 3.73Å; Q372-L376 VanDerWaalsContact O-CB 3.32Å; Q372-L376 WeakPolarHBondContact O-CB 3.38Å; Q372-L376 PolarHBondContact O-N 3.49Å; K373-L376 PolarHBondContact O-N 3.04Å; I374-L376 VanDerWaalsContact C-N 3.26Å; I374-L376 PolarHBondContact O-N 3.49Å; L376-H378 VanDerWaalsContact C-N 3.31Å; L376-H378 PolarHBondContact O-N 3.4Å
377	K	98	Very high	97.1	Very high	130 Å²	130	58 Å²	58	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-59.3	-42.5	176.3	175.3	-170.5	174.3	-165.8	0	111.4	K373 I374 D458	K373-K377 VanDerWaalsContact O-CB 3.32Å; K373-K377 WeakPolarHBondContact O-CB 3.36Å; K373-K377 PolarHBondContact O-N 3.12Å; I374-K377 WeakPolarHBondContact O-CB 3.17Å; I374-K377 PolarHBondContact O-N 3.49Å; I374-K377 VanDerWaalsContact O-N 3.17Å; K377-D458 IonicContact NZ-OD1 3.76Å; K377-D458 PolarHBondContact NZ-OD1 2.83Å; K377-D458 IonicContact NZ-OD2 3.64Å; K377-D458 PolarHBondContact NZ-OD2 2.76Å
378	H	98.1	Very high	97.2	Very high	11 Å²	11	53 Å²	53	5%	0.051	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	18.5	-175.4	-60.6	-57.8	0	0	0	113.7	I374 L376 D380 D381 L382 D458 H485	I374-H378 PolarHBondContact O-N 2.97Å; L376-H378 VanDerWaalsContact C-N 3.31Å; L376-H378 PolarHBondContact O-N 3.4Å; H378-D380 PolarHBondContact O-N 3.09Å; H378-D381 PolarHBondContact O-N 3.37Å; H378-L382 HydrophobicContact CB-CD1 3.98Å; H378-L382 HydrophobicContact CB-CD2 4.04Å; H378-L382 HydrophobicContact CB-CG 3.73Å; H378-L382 WeakPolarHBondContact O-CG 3.45Å; H378-L382 PolarHBondContact O-N 2.98Å; H378-D458 IonicContact CD2-OD2 2.77Å; H378-D458 IonicContact CE1-OD2 2.67Å; H378-D458 IonicContact NE2-OD2 2.67Å; H378-D458 PolarHBondContact NE2-OD2 3.34Å; H378-H485 AromaticContact CE1-CD2 3.56Å; H378-H485 AromaticContact CE1-CE1 3.64Å; H378-H485 AromaticContact CE1-CG 3.48Å; H378-H485 VanDerWaalsContact CE1-CG 3.48Å; H378-H485 AromaticContact CE1-ND1 3.55Å; H378-H485 AromaticContact CE1-NE2 3.69Å; H378-H485 AromaticContact ND1-CG 3.61Å; H378-H485 AromaticContact ND1-ND1 3.55Å
379	Y	98.2	Very high	97.3	Very high	17 Å²	17	57.6 Å²	57.6	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-46	-53.2	-169.4	-176	-92.6	0	0	0	114.3	L336 N339 I340 L359 G375 L383	L336-Y379 WeakPolarHBondContact CA-OH 3.34Å; L336-Y379 HydrophobicContact CD1-CE1 4.49Å; L336-Y379 WeakPolarHBondContact CD1-OH 3.45Å; L336-Y379 VanDerWaalsContact O-CE2 3.3Å; L336-Y379 WeakPolarHBondContact O-CE2 3.36Å; L336-Y379 PolarHBondContact O-OH 3.27Å; N339-Y379 HydrophobicContact CB-CE2 3.66Å; N339-Y379 VanDerWaalsContact CB-OH 3.26Å; N339-Y379 WeakPolarHBondContact CB-OH 3.42Å; I340-Y379 HydrophobicContact CB-CD2 4.44Å; I340-Y379 HydrophobicContact CB-CE2 4.49Å; I340-Y379 HydrophobicContact CG1-CD2 3.67Å; I340-Y379 HydrophobicContact CG1-CE2 3.61Å; L359-Y379 HydrophobicContact CD1-CD1 3.68Å; L359-Y379 HydrophobicContact CD1-CD2 4.39Å; L359-Y379 HydrophobicContact CD1-CE1 3.74Å; L359-Y379 HydrophobicContact CD1-CE2 4.41Å; L359-Y379 HydrophobicContact CD1-CG 4.01Å; L359-Y379 HydrophobicContact CD2-CD2 4.25Å; L359-Y379 HydrophobicContact CD2-CE2 3.96Å; G375-Y379 VanDerWaalsContact O-CA 3.31Å; G375-Y379 WeakPolarHBondContact O-CA 3.36Å; G375-Y379 PolarHBondContact O-N 3.07Å; Y379-L383 HydrophobicContact CD1-CD1 3.91Å; Y379-L383 HydrophobicContact CE1-CD1 3.38Å; Y379-L383 HydrophobicContact CE2-CD1 4.35Å; Y379-L383 WeakPolarHBondContact O-CG 3.39Å; Y379-L383 PolarHBondContact O-N 2.94Å
380	D	97.5	Very high	97.4	Very high	119 Å²	119	56.2 Å²	56.2	64%	0.636	28%	0.277	S	S	*	.	H	α-helix	trans	-68.5	-37	-178.1	-61.3	-47.7	0	0	0	112.4	H378 D384	H378-D380 PolarHBondContact O-N 3.09Å; D380-D384 PolarHBondContact O-N 3.37Å
381	D	97.7	Very high	97.6	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-38.7	-179	-90.2	1.2	0	0	0	112	H378 L383 D384 R484 H485	H378-D381 PolarHBondContact O-N 3.37Å; D381-L383 VanDerWaalsContact C-N 3.35Å; D381-D384 PolarHBondContact O-N 3.33Å; D381-R484 WeakPolarHBondContact OD1-CG 3.47Å; D381-R484 IonicContact OD1-CZ 2.67Å; D381-R484 IonicContact OD1-NH1 3.42Å; D381-R484 PolarHBondContact OD1-NH1 3.48Å; D381-H485 HydrophobicContact CB-CB 4.26Å; D381-H485 IonicContact OD2-CG 3.49Å; D381-H485 PolarHBondContact OD2-N 3.18Å; D381-H485 IonicContact OD2-ND1 3.29Å; D381-H485 PolarHBondContact OD2-ND1 3.5Å
382	L	97	Very high	97.8	Very high	36 Å²	36	52.3 Å²	52.3	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-79.8	-16	-179.6	-50.9	-177.3	0	0	0	113.2	W341 H378 V475 R487	W341-L382 HydrophobicContact CB-CD1 4.29Å; H378-L382 HydrophobicContact CB-CD1 3.98Å; H378-L382 HydrophobicContact CB-CD2 4.04Å; H378-L382 HydrophobicContact CB-CG 3.73Å; H378-L382 WeakPolarHBondContact O-CG 3.45Å; H378-L382 PolarHBondContact O-N 2.98Å; L382-V475 HydrophobicContact CD2-CG1 4.35Å; L382-V475 HydrophobicContact CD2-CG2 4.4Å; L382-R487 HydrophobicContact CD2-CG 3.92Å
383	L	95.3	Very high	97.8	Very high	81 Å²	81	53.4 Å²	53.4	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-82.9	-25.6	170.8	-75.8	176.9	0	0	0	112.9	N339 Y379 D381	N339-L383 HydrophobicContact CB-CD1 4.21Å; N339-L383 HydrophobicContact CB-CD2 3.9Å; N339-L383 HydrophobicContact CB-CG 4.5Å; Y379-L383 HydrophobicContact CD1-CD1 3.91Å; Y379-L383 HydrophobicContact CE1-CD1 3.38Å; Y379-L383 HydrophobicContact CE2-CD1 4.35Å; Y379-L383 WeakPolarHBondContact O-CG 3.39Å; Y379-L383 PolarHBondContact O-N 2.94Å; D381-L383 VanDerWaalsContact C-N 3.35Å
384	D	96.5	Very high	97.9	Very high	62 Å²	62	47.4 Å²	47.4	33%	0.332	24%	0.238	S	C	.	.	S	Bend	trans	-74.4	136.4	179.1	-178.5	44.9	0	0	0	111.8	D380 D381 R484 R486	D380-D384 PolarHBondContact O-N 3.37Å; D381-D384 PolarHBondContact O-N 3.33Å; D384-R484 WeakPolarHBondContact OD2-CD 3.46Å; D384-R484 IonicContact OD2-NE 3.44Å; D384-R486 PolarHBondContact O-NH1 3.15Å; D384-R486 IonicContact OD2-CZ 3.11Å; D384-R486 IonicContact OD2-NH1 3.36Å; D384-R486 PolarHBondContact OD2-NH1 3.31Å; D384-R486 IonicContact OD2-NH2 2.62Å; D384-R486 PolarHBondContact OD2-NH2 3.49Å
385	R	97.6	Very high	97.9	Very high	119 Å²	119	47 Å²	47	45%	0.449	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-89.3	134.8	176.5	-64.1	-175.3	67	78	1.1	110	T423 C424	R385-T423 PolarHBondContact NE-OG1 2.76Å; R385-T423 PolarHBondContact NH2-O 3.23Å; R385-C424 CarbonylContact C-O 3.58Å; R385-C424 WeakPolarHBondContact CA-O 3.27Å
386	M	98.1	Very high	98	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	148.3	177.4	76.4	-172.2	87.1	0	0	112.2	E390 A391 I394 T423 C424 V427 R486	M386-E390 HydrophobicContact CB-CB 4.19Å; M386-E390 HydrophobicContact CB-CG 4.34Å; M386-E390 WeakPolarHBondContact CB-OE2 3.24Å; M386-E390 HydrophobicContact CG-CB 4.41Å; M386-E390 HydrophobicContact SD-CB 4.49Å; M386-E390 HydrophobicContact SD-CG 4.42Å; M386-A391 HydrophobicContact CG-CB 4.29Å; M386-A391 HydrophobicContact SD-CB 3.87Å; M386-I394 HydrophobicContact CE-CD1 4.43Å; M386-I394 HydrophobicContact SD-CD1 3.8Å; M386-T423 CarbonylContact O-C 3.55Å; M386-T423 WeakPolarHBondContact O-CA 3.5Å; M386-T423 VanDerWaalsContact O-CB 3.31Å; M386-T423 WeakPolarHBondContact O-CB 2.78Å; M386-C424 HydrophobicContact CG-CB 3.99Å; M386-C424 PolarHBondContact N-O 3.18Å; M386-C424 PolarHBondContact O-N 2.92Å; M386-V427 HydrophobicContact CE-CG2 3.83Å; M386-V427 HydrophobicContact SD-CG2 3.68Å; M386-R486 HydrophobicContact CE-CB 3.8Å; M386-R486 HydrophobicContact CE-CG 3.96Å; M386-R486 HydrophobicContact SD-CG 4.31Å
387	P	98.3	Very high	98	Very high	60 Å²	60	53.4 Å²	53.4	39%	0.39	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	149.7	165.8	-21.5	33.6	0	0	0	111.7	E389 E390 A391	P387-E389 WeakPolarHBondContact CB-OE2 3.47Å; P387-E389 PolarHBondContact O-N 2.72Å; P387-E389 VanDerWaalsContact O-N 3.16Å; P387-E390 WeakPolarHBondContact O-CB 3.16Å; P387-E390 PolarHBondContact O-N 3.5Å; P387-A391 PolarHBondContact O-N 2.92Å
388	R	98.2	Very high	98	Very high	81 Å²	81	47.2 Å²	47.2	31%	0.306	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-28.5	179.2	65.3	175.4	-76.7	99.3	2.9	113.2	E390 A391 A392 Y417 K421 A422	R388-E390 VanDerWaalsContact C-N 3.32Å; R388-A391 PolarHBondContact O-N 3.33Å; R388-A392 PolarHBondContact O-N 3.06Å; R388-Y417 HydrophobicContact CB-CD2 4.48Å; R388-Y417 WeakPolarHBondContact O-CE2 3.49Å; R388-K421 PolarHBondContact NH1-O 3.23Å; R388-A422 WeakPolarHBondContact CB-O 3.38Å; R388-A422 PolarHBondContact N-O 2.86Å
389	E	98.3	Very high	98	Very high	124 Å²	124	50.2 Å²	50.2	58%	0.579	25%	0.25	S	S	*	.	H	α-helix	trans	-67.9	-35.6	178.1	-62	70.5	-152	0	0	111	P387 A392 A393	P387-E389 WeakPolarHBondContact CB-OE2 3.47Å; P387-E389 PolarHBondContact O-N 2.72Å; P387-E389 VanDerWaalsContact O-N 3.16Å; E389-A392 PolarHBondContact O-N 2.96Å; E389-A393 PolarHBondContact O-N 3.09Å; E389-A393 VanDerWaalsContact O-N 3.09Å
390	E	98.5	Very high	98.1	Very high	23 Å²	23	52.8 Å²	52.8	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-42.9	173.4	-169.1	178.8	170.8	0	0	110.5	M386 P387 R388 A392 A393 I394 L478 R486	M386-E390 HydrophobicContact CB-CB 4.19Å; M386-E390 HydrophobicContact CB-CG 4.34Å; M386-E390 WeakPolarHBondContact CB-OE2 3.24Å; M386-E390 HydrophobicContact CG-CB 4.41Å; M386-E390 HydrophobicContact SD-CB 4.49Å; M386-E390 HydrophobicContact SD-CG 4.42Å; P387-E390 WeakPolarHBondContact O-CB 3.16Å; P387-E390 PolarHBondContact O-N 3.5Å; R388-E390 VanDerWaalsContact C-N 3.32Å; E390-A392 VanDerWaalsContact C-N 3.33Å; E390-A392 PolarHBondContact O-N 3.01Å; E390-A393 WeakPolarHBondContact O-CB 3.42Å; E390-A393 PolarHBondContact O-N 3.44Å; E390-A393 VanDerWaalsContact O-N 3.16Å; E390-I394 HydrophobicContact CG-CD1 4.46Å; E390-I394 PolarHBondContact O-N 3.29Å; E390-L478 HydrophobicContact CG-CD1 3.94Å; E390-R486 WeakPolarHBondContact OE1-CG 3.28Å; E390-R486 IonicContact OE1-CZ 3.56Å; E390-R486 IonicContact OE1-NE 3.38Å; E390-R486 PolarHBondContact OE1-NE 3.31Å; E390-R486 IonicContact OE1-NH2 2.59Å; E390-R486 IonicContact OE2-CZ 2.82Å; E390-R486 IonicContact OE2-NE 2.8Å; E390-R486 PolarHBondContact OE2-NE 2.95Å; E390-R486 IonicContact OE2-NH2 3.36Å; E390-R486 PolarHBondContact OE2-NH2 3.34Å
391	A	98.6	Very high	98.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-40.2	174.9	0	0	0	0	0	112.4	M386 P387 R388 A393 I394 E395 Y417 C424 V427	M386-A391 HydrophobicContact CG-CB 4.29Å; M386-A391 HydrophobicContact SD-CB 3.87Å; P387-A391 PolarHBondContact O-N 2.92Å; R388-A391 PolarHBondContact O-N 3.33Å; A391-A393 VanDerWaalsContact C-N 3.34Å; A391-A393 PolarHBondContact O-N 3.12Å; A391-I394 PolarHBondContact O-N 3.37Å; A391-E395 WeakPolarHBondContact O-CB 3.42Å; A391-E395 PolarHBondContact O-N 3.32Å; A391-Y417 HydrophobicContact CB-CD2 3.88Å; A391-Y417 HydrophobicContact CB-CE2 4.49Å; A391-C424 HydrophobicContact CB-CB 4.18Å; A391-V427 HydrophobicContact CB-CG2 3.81Å
392	A	98.6	Very high	98.1	Very high	29 Å²	29	46 Å²	46	24%	0.24	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-38.3	174.8	0	0	0	0	0	112.4	R388 E389 E390 K396 Y417	R388-A392 PolarHBondContact O-N 3.06Å; E389-A392 PolarHBondContact O-N 2.96Å; E390-A392 VanDerWaalsContact C-N 3.33Å; E390-A392 PolarHBondContact O-N 3.01Å; A392-K396 WeakPolarHBondContact O-CB 3.43Å; A392-K396 PolarHBondContact O-N 3.16Å; A392-Y417 HydrophobicContact CB-CE2 3.87Å; A392-Y417 WeakPolarHBondContact CB-OH 3.41Å
393	A	98.6	Very high	98.2	Very high	39 Å²	39	47.9 Å²	47.9	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-40.6	176	0	0	0	0	0	112	E389 E390 A391 K396 V397 L478	E389-A393 PolarHBondContact O-N 3.09Å; E389-A393 VanDerWaalsContact O-N 3.09Å; E390-A393 WeakPolarHBondContact O-CB 3.42Å; E390-A393 PolarHBondContact O-N 3.44Å; E390-A393 VanDerWaalsContact O-N 3.16Å; A391-A393 VanDerWaalsContact C-N 3.34Å; A391-A393 PolarHBondContact O-N 3.12Å; A393-K396 PolarHBondContact O-N 3.35Å; A393-V397 WeakPolarHBondContact O-CG2 3.3Å; A393-V397 PolarHBondContact O-N 2.96Å; A393-L478 HydrophobicContact CB-CD1 3.83Å; A393-L478 HydrophobicContact CB-CD2 4.33Å
394	I	98.8	Very high	98.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-48.6	173.7	-72.9	165.2	0	0	0	110.9	M386 E390 A391 K396 V397 V398 V427 F455 L478 R486 L488	M386-I394 HydrophobicContact CE-CD1 4.43Å; M386-I394 HydrophobicContact SD-CD1 3.8Å; E390-I394 HydrophobicContact CG-CD1 4.46Å; E390-I394 PolarHBondContact O-N 3.29Å; A391-I394 PolarHBondContact O-N 3.37Å; I394-K396 VanDerWaalsContact C-N 3.26Å; I394-K396 PolarHBondContact O-N 3.35Å; I394-V397 PolarHBondContact O-N 3.31Å; I394-V397 VanDerWaalsContact O-N 3.12Å; I394-V398 PolarHBondContact O-N 2.81Å; I394-V398 VanDerWaalsContact O-N 3.16Å; I394-V427 HydrophobicContact CB-CG2 3.97Å; I394-V427 HydrophobicContact CD1-CG2 3.87Å; I394-V427 HydrophobicContact CG2-CB 3.74Å; I394-V427 HydrophobicContact CG2-CG1 3.87Å; I394-V427 HydrophobicContact CG2-CG2 3.69Å; I394-F455 HydrophobicContact CB-CZ 4.36Å; I394-F455 HydrophobicContact CG1-CE2 4.5Å; I394-F455 HydrophobicContact CG1-CZ 4.19Å; I394-F455 HydrophobicContact CG2-CZ 4Å; I394-L478 HydrophobicContact CG1-CD1 4.07Å; I394-L478 HydrophobicContact CG1-CD2 4.25Å; I394-L478 HydrophobicContact CG1-CG 3.96Å; I394-R486 HydrophobicContact CD1-CB 3.94Å; I394-R486 HydrophobicContact CD1-CG 4.04Å; I394-L488 HydrophobicContact CG2-CD1 4.12Å
395	E	98.6	Very high	98.4	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-40.7	176.9	179.4	-85.7	167.4	0	0	111.7	A391 V397 V398 R399 A413 V427	A391-E395 WeakPolarHBondContact O-CB 3.42Å; A391-E395 PolarHBondContact O-N 3.32Å; E395-V397 VanDerWaalsContact C-N 3.34Å; E395-V397 PolarHBondContact O-N 3.31Å; E395-V398 PolarHBondContact O-N 3.16Å; E395-R399 WeakPolarHBondContact O-CB 3.3Å; E395-R399 PolarHBondContact O-N 3.33Å; E395-R399 IonicContact OE1-CZ 3.69Å; E395-R399 IonicContact OE1-NH1 3.49Å; E395-R399 PolarHBondContact OE1-NH1 3.2Å; E395-R399 IonicContact OE2-CZ 3.63Å; E395-R399 VanDerWaalsContact OE2-CZ 3.29Å; E395-R399 IonicContact OE2-NH1 3.59Å; E395-R399 PolarHBondContact OE2-NH1 2.94Å; E395-R399 IonicContact OE2-NH2 2.94Å; E395-R399 PolarHBondContact OE2-NH2 3.31Å; E395-A413 HydrophobicContact CB-CB 3.91Å; E395-A413 HydrophobicContact CG-CB 3.53Å; E395-V427 HydrophobicContact CB-CG1 4.44Å
396	K	98.6	Very high	98.4	Very high	103 Å²	103	43.7 Å²	43.7	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-44.1	176	-178.7	178	-171.8	-55.1	0	111.9	A392 A393 I394 V398 R399 D400	A392-K396 WeakPolarHBondContact O-CB 3.43Å; A392-K396 PolarHBondContact O-N 3.16Å; A393-K396 PolarHBondContact O-N 3.35Å; I394-K396 VanDerWaalsContact C-N 3.26Å; I394-K396 PolarHBondContact O-N 3.35Å; K396-V398 VanDerWaalsContact C-N 3.34Å; K396-V398 PolarHBondContact O-N 3.1Å; K396-R399 PolarHBondContact O-N 2.7Å; K396-D400 IonicContact NZ-OD1 3.65Å; K396-D400 IonicContact NZ-OD2 3.71Å; K396-D400 PolarHBondContact NZ-OD2 2.85Å; K396-D400 WeakPolarHBondContact O-CB 3.46Å; K396-D400 PolarHBondContact O-N 3.25Å
397	V	98.7	Very high	98.4	Very high	44 Å²	44	47.7 Å²	47.7	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-44.4	178.5	174.9	0	0	0	0	111	A393 I394 E395 D400 A401 L450 F455 L478	A393-V397 WeakPolarHBondContact O-CG2 3.3Å; A393-V397 PolarHBondContact O-N 2.96Å; I394-V397 PolarHBondContact O-N 3.31Å; I394-V397 VanDerWaalsContact O-N 3.12Å; E395-V397 VanDerWaalsContact C-N 3.34Å; E395-V397 PolarHBondContact O-N 3.31Å; V397-D400 PolarHBondContact O-N 2.98Å; V397-A401 WeakPolarHBondContact O-CB 3.49Å; V397-A401 PolarHBondContact O-N 3Å; V397-L450 HydrophobicContact CG1-CD2 3.78Å; V397-F455 HydrophobicContact CB-CE1 4.42Å; V397-F455 HydrophobicContact CB-CE2 4.31Å; V397-F455 HydrophobicContact CB-CZ 4.2Å; V397-F455 HydrophobicContact CG1-CB 4.46Å; V397-F455 HydrophobicContact CG1-CD1 3.87Å; V397-F455 HydrophobicContact CG1-CD2 3.97Å; V397-F455 HydrophobicContact CG1-CE1 4Å; V397-F455 HydrophobicContact CG1-CE2 4.14Å; V397-F455 HydrophobicContact CG1-CG 3.82Å; V397-F455 HydrophobicContact CG1-CZ 4.14Å; V397-F455 HydrophobicContact CG2-CE2 4.38Å; V397-L478 HydrophobicContact CG2-CD2 4.02Å
398	V	98.6	Very high	98.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-41.3	178.2	-178.5	0	0	0	0	111.5	I394 E395 K396 A401 A402 V429 I431 L450 F455 L488 V490	I394-V398 PolarHBondContact O-N 2.81Å; I394-V398 VanDerWaalsContact O-N 3.16Å; E395-V398 PolarHBondContact O-N 3.16Å; K396-V398 VanDerWaalsContact C-N 3.34Å; K396-V398 PolarHBondContact O-N 3.1Å; V398-A401 PolarHBondContact O-N 3.31Å; V398-A402 PolarHBondContact O-N 3.23Å; V398-V429 HydrophobicContact CB-CG1 4.31Å; V398-V429 HydrophobicContact CB-CG2 4.24Å; V398-V429 HydrophobicContact CG1-CB 4.11Å; V398-V429 HydrophobicContact CG1-CG1 3.73Å; V398-V429 HydrophobicContact CG1-CG2 4.26Å; V398-V429 HydrophobicContact CG2-CG2 4.3Å; V398-I431 HydrophobicContact CG1-CD1 4.18Å; V398-L450 HydrophobicContact CG2-CD1 4.22Å; V398-F455 HydrophobicContact CG2-CE1 4.32Å; V398-L488 HydrophobicContact CG2-CD1 4.08Å; V398-L488 HydrophobicContact CG2-CD2 3.75Å; V398-V490 HydrophobicContact CG1-CG2 4.23Å
399	R	98.6	Very high	98.3	Very high	73 Å²	73	42.9 Å²	42.9	28%	0.275	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-44.9	176.3	178.8	177	61.8	-128.2	-12.6	111.9	E395 K396 A401 A402 H403 A411	E395-R399 WeakPolarHBondContact O-CB 3.3Å; E395-R399 PolarHBondContact O-N 3.33Å; E395-R399 IonicContact OE1-CZ 3.69Å; E395-R399 IonicContact OE1-NH1 3.49Å; E395-R399 PolarHBondContact OE1-NH1 3.2Å; E395-R399 IonicContact OE2-CZ 3.63Å; E395-R399 VanDerWaalsContact OE2-CZ 3.29Å; E395-R399 IonicContact OE2-NH1 3.59Å; E395-R399 PolarHBondContact OE2-NH1 2.94Å; E395-R399 IonicContact OE2-NH2 2.94Å; E395-R399 PolarHBondContact OE2-NH2 3.31Å; K396-R399 PolarHBondContact O-N 2.7Å; R399-A401 VanDerWaalsContact C-N 3.29Å; R399-A401 PolarHBondContact O-N 3.16Å; R399-A402 WeakPolarHBondContact O-CB 3.46Å; R399-A402 PolarHBondContact O-N 3.07Å; R399-H403 PolarHBondContact O-N 3.27Å; R399-A411 HydrophobicContact CB-CB 4.01Å; R399-A411 HydrophobicContact CG-CB 4.14Å
400	D	98.6	Very high	98.3	Very high	72 Å²	72	39.1 Å²	39.1	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-39.4	178.1	-65.8	-11.6	0	0	0	110.6	K396 V397 H403 A404	K396-D400 IonicContact NZ-OD1 3.65Å; K396-D400 IonicContact NZ-OD2 3.71Å; K396-D400 PolarHBondContact NZ-OD2 2.85Å; K396-D400 WeakPolarHBondContact O-CB 3.46Å; K396-D400 PolarHBondContact O-N 3.25Å; V397-D400 PolarHBondContact O-N 2.98Å; D400-H403 PolarHBondContact O-N 3.22Å; D400-A404 WeakPolarHBondContact O-CB 3.33Å; D400-A404 PolarHBondContact O-N 3.07Å
401	A	98.6	Very high	98.2	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-40.6	173.5	0	0	0	0	0	112.5	V397 V398 R399 A404 V405 V446 I449 L450	V397-A401 WeakPolarHBondContact O-CB 3.49Å; V397-A401 PolarHBondContact O-N 3Å; V398-A401 PolarHBondContact O-N 3.31Å; R399-A401 VanDerWaalsContact C-N 3.29Å; R399-A401 PolarHBondContact O-N 3.16Å; A401-A404 PolarHBondContact O-N 3.01Å; A401-V405 PolarHBondContact O-N 2.77Å; A401-V446 HydrophobicContact CB-CG1 4.28Å; A401-I449 HydrophobicContact CB-CB 4.32Å; A401-I449 HydrophobicContact CB-CG2 3.78Å; A401-L450 HydrophobicContact CB-CD2 3.65Å; A401-L450 HydrophobicContact CB-CG 3.98Å
402	A	98.3	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-47.1	173.3	0	0	0	0	0	111.4	V398 R399 A404 V405 D406 L409 A411 I431 V446	V398-A402 PolarHBondContact O-N 3.23Å; R399-A402 WeakPolarHBondContact O-CB 3.46Å; R399-A402 PolarHBondContact O-N 3.07Å; A402-A404 VanDerWaalsContact C-N 3.28Å; A402-A404 PolarHBondContact O-N 3.45Å; A402-V405 WeakPolarHBondContact O-CA 3.44Å; A402-V405 WeakPolarHBondContact O-CB 3.49Å; A402-V405 PolarHBondContact O-N 2.88Å; A402-D406 PolarHBondContact O-N 3.42Å; A402-L409 HydrophobicContact CB-CB 4.44Å; A402-L409 HydrophobicContact CB-CD1 4.27Å; A402-L409 VanDerWaalsContact O-CD1 3.29Å; A402-L409 WeakPolarHBondContact O-CD1 3.5Å; A402-A411 HydrophobicContact CB-CB 4.17Å; A402-I431 HydrophobicContact CB-CD1 4.32Å; A402-V446 HydrophobicContact CB-CG2 4.26Å
403	H	98.4	Very high	98.2	Very high	75 Å²	75	40.7 Å²	40.7	35%	0.347	25%	0.247	S	C	.	.	H	α-helix	trans	-67	-26.4	179.2	-71.1	169.7	0	0	0	114	R399 D400 V405 D406 A407 L409	R399-H403 PolarHBondContact O-N 3.27Å; D400-H403 PolarHBondContact O-N 3.22Å; H403-V405 VanDerWaalsContact C-N 3.27Å; H403-D406 WeakPolarHBondContact CA-O 3.44Å; H403-D406 CarbonylContact O-C 3.44Å; H403-A407 PolarHBondContact O-N 3.24Å; H403-L409 PolarHBondContact CD2-O 2.89Å; H403-L409 PolarHBondContact NE2-O 2.92Å
404	A	98.2	Very high	98.2	Very high	77 Å²	77	38.9 Å²	38.9	64%	0.636	23%	0.232	S	C	*	.	H	α-helix	trans	-67.9	-27.6	170.2	0	0	0	0	0	112.8	D400 A401 A402 I449	D400-A404 WeakPolarHBondContact O-CB 3.33Å; D400-A404 PolarHBondContact O-N 3.07Å; A401-A404 PolarHBondContact O-N 3.01Å; A402-A404 VanDerWaalsContact C-N 3.28Å; A402-A404 PolarHBondContact O-N 3.45Å; A404-I449 HydrophobicContact CB-CD1 4.26Å
405	V	97.7	Very high	98.1	Very high	42 Å²	42	39 Å²	39	26%	0.255	23%	0.232	S	C	.	.	H	α-helix	trans	-78.9	-49	173.4	178	0	0	0	0	110.8	A401 A402 H403 L409 V442 K445 V446 I449	A401-V405 PolarHBondContact O-N 2.77Å; A402-V405 WeakPolarHBondContact O-CA 3.44Å; A402-V405 WeakPolarHBondContact O-CB 3.49Å; A402-V405 PolarHBondContact O-N 2.88Å; H403-V405 VanDerWaalsContact C-N 3.27Å; V405-L409 HydrophobicContact CB-CD1 4.4Å; V405-V442 HydrophobicContact CG1-CG1 4.47Å; V405-V442 HydrophobicContact CG1-CG2 4.22Å; V405-K445 HydrophobicContact CG1-CB 4.2Å; V405-K445 HydrophobicContact CG1-CD 3.79Å; V405-K445 HydrophobicContact CG2-CB 3.74Å; V405-V446 HydrophobicContact CG2-CG2 3.94Å; V405-I449 HydrophobicContact CG2-CD1 3.65Å
406	D	97.6	Very high	98.1	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	23%	0.233	S	C	.	.			trans	-156.3	122.3	176.3	-174	-22.4	0	0	0	110	A402 H403 G408 L409 H433	A402-D406 PolarHBondContact O-N 3.42Å; H403-D406 WeakPolarHBondContact CA-O 3.44Å; H403-D406 CarbonylContact O-C 3.44Å; D406-G408 PolarHBondContact O-N 3.42Å; D406-G408 PolarHBondContact OD1-N 2.86Å; D406-L409 HydrophobicContact CB-CD1 3.84Å; D406-L409 HydrophobicContact CB-CG 4Å; D406-L409 WeakPolarHBondContact O-CB 3.46Å; D406-L409 PolarHBondContact O-N 2.86Å; D406-L409 VanDerWaalsContact O-N 3.14Å; D406-H433 IonicContact OD1-NE2 3.9Å; D406-H433 IonicContact OD2-CD2 3.5Å; D406-H433 IonicContact OD2-NE2 2.69Å
407	A	97.1	Very high	98.1	Very high	84 Å²	84	36.5 Å²	36.5	69%	0.694	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.1	-179.4	0	0	0	0	0	113.8	H403 L409	H403-A407 PolarHBondContact O-N 3.24Å; A407-L409 VanDerWaalsContact C-N 3.31Å
408	G	97.4	Very high	98.1	Very high	36 Å²	36	36.6 Å²	36.6	37%	0.371	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9	175.3	0	0	0	0	0	114.4	D406 H433 P434	D406-G408 PolarHBondContact O-N 3.42Å; D406-G408 PolarHBondContact OD1-N 2.86Å; G408-H433 WeakPolarHBondContact CA-NE2 3.46Å; G408-H433 PolarHBondContact O-CD2 2.59Å; G408-P434 WeakPolarHBondContact O-CD 3.39Å
409	L	98.1	Very high	98	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	22%	0.224	C	C	.	.			trans	-66.3	139.9	178.5	-74.6	163.1	0	0	0	112	A402 H403 V405 D406 A407 I431 H433 V442	A402-L409 HydrophobicContact CB-CB 4.44Å; A402-L409 HydrophobicContact CB-CD1 4.27Å; A402-L409 VanDerWaalsContact O-CD1 3.29Å; A402-L409 WeakPolarHBondContact O-CD1 3.5Å; H403-L409 PolarHBondContact CD2-O 2.89Å; H403-L409 PolarHBondContact NE2-O 2.92Å; V405-L409 HydrophobicContact CB-CD1 4.4Å; D406-L409 HydrophobicContact CB-CD1 3.84Å; D406-L409 HydrophobicContact CB-CG 4Å; D406-L409 WeakPolarHBondContact O-CB 3.46Å; D406-L409 PolarHBondContact O-N 2.86Å; D406-L409 VanDerWaalsContact O-N 3.14Å; A407-L409 VanDerWaalsContact C-N 3.31Å; L409-I431 HydrophobicContact CD2-CG2 4.02Å; L409-H433 HydrophobicContact CD2-CB 3.85Å; L409-V442 HydrophobicContact CD1-CB 4.4Å; L409-V442 HydrophobicContact CD1-CG1 3.54Å; L409-V442 HydrophobicContact CD1-CG2 3.91Å; L409-V442 HydrophobicContact CD2-CG1 4.21Å; L409-V442 HydrophobicContact CD2-CG2 4.09Å
410	V	97.6	Very high	97.9	Very high	46 Å²	46	36.9 Å²	36.9	28%	0.279	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.9	168.1	178.4	0	0	0	0	107.3	I431 S432 P434 F498	V410-I431 CarbonylContact O-C 3.58Å; V410-I431 VanDerWaalsContact O-CA 3.23Å; V410-I431 WeakPolarHBondContact O-CA 3.09Å; V410-S432 PolarHBondContact N-O 2.94Å; V410-S432 PolarHBondContact O-N 3.02Å; V410-P434 HydrophobicContact CG2-CG 4Å; V410-F498 HydrophobicContact CG1-CE2 4.47Å; V410-F498 HydrophobicContact CG1-CZ 4.19Å
411	A	97.9	Very high	97.8	Very high	10 Å²	10	37.3 Å²	37.3	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.8	169.9	0	0	0	0	0	108.9	R399 A402 V429 L430 I431	R399-A411 HydrophobicContact CB-CB 4.01Å; R399-A411 HydrophobicContact CG-CB 4.14Å; A402-A411 HydrophobicContact CB-CB 4.17Å; A411-V429 HydrophobicContact CB-CG1 4.28Å; A411-L430 CarbonylContact C-O 3.54Å; A411-L430 WeakPolarHBondContact CA-O 3.11Å; A411-I431 HydrophobicContact CB-CG1 3.98Å
412	M	97.6	Very high	97.7	Very high	70 Å²	70	40.7 Å²	40.7	35%	0.345	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129.1	-173.1	-177.3	-179.4	-62.2	0	0	111.8	L430 L502	M412-L430 PolarHBondContact N-O 3.19Å; M412-L430 PolarHBondContact O-N 2.8Å; M412-L502 HydrophobicContact SD-CD1 3.91Å
413	A	98.4	Very high	97.7	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.7	168.3	0	0	0	0	0	112	E395 Y417 D428	E395-A413 HydrophobicContact CB-CB 3.91Å; E395-A413 HydrophobicContact CG-CB 3.53Å; A413-Y417 HydrophobicContact CB-CD1 3.38Å; A413-Y417 HydrophobicContact CB-CE1 3.88Å; A413-Y417 HydrophobicContact CB-CG 4.05Å; A413-D428 CarbonylContact C-O 3.46Å; A413-D428 VanDerWaalsContact CA-O 3.23Å; A413-D428 WeakPolarHBondContact CA-O 3.28Å
414	C	98.6	Very high	97.7	Very high	1 Å²	1	40 Å²	40	1%	0.007	26%	0.258	C	S	.	.			trans	-112.9	-143.7	-179.4	-65.1	0	0	0	0	109.6	Y417 R418 D428 F505	C414-Y417 WeakPolarHBondContact O-CB 3.5Å; C414-Y417 PolarHBondContact O-N 2.86Å; C414-R418 PolarHBondContact O-N 3.36Å; C414-D428 HydrophobicContact CB-CB 4.01Å; C414-D428 PolarHBondContact N-O 3.37Å; C414-F505 HydrophobicContact CB-CB 3.9Å; C414-F505 HydrophobicContact CB-CD2 3.71Å; C414-F505 HydrophobicContact CB-CG 3.96Å; C414-F505 WeakPolarHBondContact CB-O 3.31Å
415	G	97.9	Very high	97.6	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	55.9	-146.9	172	0	0	0	0	0	115	Y417 R418 R419 D428 F505	G415-Y417 PolarHBondContact O-N 2.79Å; G415-R418 PolarHBondContact O-N 3.11Å; G415-R419 WeakPolarHBondContact O-CG 3.4Å; G415-R419 PolarHBondContact O-N 2.89Å; G415-R419 PolarHBondContact O-NH1 2.97Å; G415-D428 WeakPolarHBondContact CA-OD2 3.36Å; G415-F505 VanDerWaalsContact CA-O 3.25Å; G415-F505 WeakPolarHBondContact CA-O 3.47Å; G415-F505 PolarHBondContact N-O 3.21Å
416	S	97.8	Very high	97.6	Very high	10 Å²	10	37.9 Å²	37.9	7%	0.07	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-28	178.7	60.2	0	0	0	0	113.4	R419 G420 K421 C424	S416-R419 PolarHBondContact O-N 2.77Å; S416-G420 PolarHBondContact O-N 2.97Å; S416-K421 WeakPolarHBondContact O-CB 3.2Å; S416-K421 PolarHBondContact O-N 2.88Å; S416-C424 WeakPolarHBondContact OG-CA 3.42Å; S416-C424 WeakPolarHBondContact OG-CB 3.33Å
417	Y	98.6	Very high	97.6	Very high	55 Å²	55	35.4 Å²	35.4	22%	0.216	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-51.9	175.7	-179.5	-95.5	0	0	0	111.6	R388 A391 A392 A413 C414 G415 R419 G420	R388-Y417 HydrophobicContact CB-CD2 4.48Å; R388-Y417 WeakPolarHBondContact O-CE2 3.49Å; A391-Y417 HydrophobicContact CB-CD2 3.88Å; A391-Y417 HydrophobicContact CB-CE2 4.49Å; A392-Y417 HydrophobicContact CB-CE2 3.87Å; A392-Y417 WeakPolarHBondContact CB-OH 3.41Å; A413-Y417 HydrophobicContact CB-CD1 3.38Å; A413-Y417 HydrophobicContact CB-CE1 3.88Å; A413-Y417 HydrophobicContact CB-CG 4.05Å; C414-Y417 WeakPolarHBondContact O-CB 3.5Å; C414-Y417 PolarHBondContact O-N 2.86Å; G415-Y417 PolarHBondContact O-N 2.79Å; Y417-R419 VanDerWaalsContact C-N 3.29Å; Y417-R419 PolarHBondContact O-N 2.83Å; Y417-G420 WeakPolarHBondContact O-CA 3.31Å; Y417-G420 PolarHBondContact O-N 3.27Å
418	R	98.3	Very high	97.7	Very high	46 Å²	46	32.2 Å²	32.2	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-29.6	179.5	-171.9	165	178.8	-93.4	-1.7	112.9	C414 G415 G420 T506 E554 P568	C414-R418 PolarHBondContact O-N 3.36Å; G415-R418 PolarHBondContact O-N 3.11Å; R418-G420 PolarHBondContact O-N 3.35Å; R418-T506 HydrophobicContact CB-CG2 4.37Å; R418-T506 WeakPolarHBondContact CD-OG1 3.43Å; R418-T506 HydrophobicContact CG-CG2 4.24Å; R418-T506 PolarHBondContact NH1-OG1 2.92Å; R418-E554 IonicContact CZ-OE1 3.68Å; R418-E554 IonicContact CZ-OE2 2.84Å; R418-E554 IonicContact NH1-OE1 3.59Å; R418-E554 PolarHBondContact NH1-OE1 3.11Å; R418-E554 IonicContact NH1-OE2 3.65Å; R418-E554 PolarHBondContact NH1-OE2 3.07Å; R418-E554 IonicContact NH2-OE1 2.86Å; R418-E554 IonicContact NH2-OE2 3.78Å; R418-E554 PolarHBondContact NH2-OE2 3.22Å; R418-P568 HydrophobicContact CG-CB 4.08Å; R418-P568 HydrophobicContact CG-CG 4.07Å; R418-P568 VanDerWaalsContact O-CB 3.26Å; R418-P568 WeakPolarHBondContact O-CB 3.48Å
419	R	97.3	Very high	97.8	Very high	38 Å²	38	30.5 Å²	30.5	14%	0.143	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.7	171.4	-59.6	-167.5	-49.1	-87	0.8	113.7	G415 S416 Y417 T506 P568 Q569 D572	G415-R419 WeakPolarHBondContact O-CG 3.4Å; G415-R419 PolarHBondContact O-N 2.89Å; G415-R419 PolarHBondContact O-NH1 2.97Å; S416-R419 PolarHBondContact O-N 2.77Å; Y417-R419 VanDerWaalsContact C-N 3.29Å; Y417-R419 PolarHBondContact O-N 2.83Å; R419-T506 VanDerWaalsContact CD-O 3.31Å; R419-T506 WeakPolarHBondContact CD-O 3.46Å; R419-T506 HydrophobicContact CG-CG2 3.84Å; R419-T506 PolarHBondContact NH1-O 3.24Å; R419-P568 WeakPolarHBondContact CG-O 3.22Å; R419-Q569 WeakPolarHBondContact O-CA 3.42Å; R419-D572 WeakPolarHBondContact CD-OD1 3.42Å; R419-D572 IonicContact CZ-OD1 3.52Å; R419-D572 IonicContact NE-OD1 3.74Å; R419-D572 PolarHBondContact NE-OD1 3.48Å; R419-D572 IonicContact NH2-OD1 3.04Å
420	G	96.1	Very high	97.8	Very high	41 Å²	41	30.3 Å²	30.3	42%	0.423	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	22	173.3	0	0	0	0	0	114.5	S416 Y417 R418	S416-G420 PolarHBondContact O-N 2.97Å; Y417-G420 WeakPolarHBondContact O-CA 3.31Å; Y417-G420 PolarHBondContact O-N 3.27Å; R418-G420 PolarHBondContact O-N 3.35Å
421	K	95.6	Very high	97.8	Very high	82 Å²	82	28.1 Å²	28.1	36%	0.357	17%	0.167	S	C	.	.			trans	-65.2	148	174.6	-65.3	-53.1	-158	-163.4	0	111.2	R388 S416 T423 D572	R388-K421 PolarHBondContact NH1-O 3.23Å; S416-K421 WeakPolarHBondContact O-CB 3.2Å; S416-K421 PolarHBondContact O-N 2.88Å; K421-T423 VanDerWaalsContact C-N 3.34Å; K421-T423 WeakPolarHBondContact CB-O 3.34Å; K421-D572 WeakPolarHBondContact CD-OD2 3.17Å; K421-D572 VanDerWaalsContact CE-OD1 3.31Å; K421-D572 WeakPolarHBondContact CE-OD1 3.25Å; K421-D572 WeakPolarHBondContact CE-OD2 3.35Å; K421-D572 IonicContact NZ-OD1 3.92Å; K421-D572 IonicContact NZ-OD2 3.83Å; K421-D572 PolarHBondContact NZ-OD2 3.14Å
422	A	96.9	Very high	97.8	Very high	76 Å²	76	27.6 Å²	27.6	63%	0.628	16%	0.163	S	C	*	.	S	Bend	trans	-71.2	-31	176.5	0	0	0	0	0	112.3	R388	R388-A422 WeakPolarHBondContact CB-O 3.38Å; R388-A422 PolarHBondContact N-O 2.86Å
423	T	98.1	Very high	97.8	Very high	60 Å²	60	25.3 Å²	25.3	37%	0.368	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.5	174.5	63.8	0	0	0	0	110.5	R385 M386 K421	R385-T423 PolarHBondContact NE-OG1 2.76Å; R385-T423 PolarHBondContact NH2-O 3.23Å; M386-T423 CarbonylContact O-C 3.55Å; M386-T423 WeakPolarHBondContact O-CA 3.5Å; M386-T423 VanDerWaalsContact O-CB 3.31Å; M386-T423 WeakPolarHBondContact O-CB 2.78Å; K421-T423 VanDerWaalsContact C-N 3.34Å; K421-T423 WeakPolarHBondContact CB-O 3.34Å
424	C	98.1	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.8	-179.9	-54.3	0	0	0	0	110	R385 M386 A391 S416 D426	R385-C424 CarbonylContact C-O 3.58Å; R385-C424 WeakPolarHBondContact CA-O 3.27Å; M386-C424 HydrophobicContact CG-CB 3.99Å; M386-C424 PolarHBondContact N-O 3.18Å; M386-C424 PolarHBondContact O-N 2.92Å; A391-C424 HydrophobicContact CB-CB 4.18Å; S416-C424 WeakPolarHBondContact OG-CA 3.42Å; S416-C424 WeakPolarHBondContact OG-CB 3.33Å; C424-D426 WeakPolarHBondContact CB-O 3.38Å
425	G	96.4	Very high	97.5	Very high	24 Å²	24	31.7 Å²	31.7	25%	0.247	19%	0.188	C	C	.	.	S	Bend	trans	-85.1	-38.2	173.8	0	0	0	0	0	111.6
426	D	97.9	Very high	97.3	Very high	52 Å²	52	33.1 Å²	33.1	28%	0.278	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	173	-178.6	44.3	4.9	0	0	0	109.4	C424 R487	C424-D426 WeakPolarHBondContact CB-O 3.38Å; D426-R487 HydrophobicContact CB-CB 3.65Å
427	V	98.6	Very high	97.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.2	169.3	-170.8	0	0	0	0	109	M386 A391 I394 E395 V429 R487 L488 D489	M386-V427 HydrophobicContact CE-CG2 3.83Å; M386-V427 HydrophobicContact SD-CG2 3.68Å; A391-V427 HydrophobicContact CB-CG2 3.81Å; I394-V427 HydrophobicContact CB-CG2 3.97Å; I394-V427 HydrophobicContact CD1-CG2 3.87Å; I394-V427 HydrophobicContact CG2-CB 3.74Å; I394-V427 HydrophobicContact CG2-CG1 3.87Å; I394-V427 HydrophobicContact CG2-CG2 3.69Å; E395-V427 HydrophobicContact CB-CG1 4.44Å; V427-V429 HydrophobicContact CG1-CG2 3.95Å; V427-R487 PolarHBondContact N-O 2.82Å; V427-L488 HydrophobicContact CB-CD1 4.21Å; V427-L488 HydrophobicContact CG1-CD1 4.48Å; V427-L488 WeakPolarHBondContact O-CA 3.41Å; V427-L488 WeakPolarHBondContact O-CD1 3.3Å; V427-D489 PolarHBondContact O-N 2.84Å
428	D	98.6	Very high	96.9	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.7	-179.8	-65.8	-57.3	0	0	0	108.6	A413 C414 G415 D489 F505	A413-D428 CarbonylContact C-O 3.46Å; A413-D428 VanDerWaalsContact CA-O 3.23Å; A413-D428 WeakPolarHBondContact CA-O 3.28Å; C414-D428 HydrophobicContact CB-CB 4.01Å; C414-D428 PolarHBondContact N-O 3.37Å; G415-D428 WeakPolarHBondContact CA-OD2 3.36Å; D428-D489 CarbonylContact C-O 3.46Å; D428-F505 VanDerWaalsContact C-CE2 3.46Å; D428-F505 HydrophobicContact CB-CD1 4.13Å; D428-F505 HydrophobicContact CB-CD2 3.82Å; D428-F505 HydrophobicContact CB-CE1 3.74Å; D428-F505 HydrophobicContact CB-CE2 3.45Å; D428-F505 VanDerWaalsContact CB-CE2 3.45Å; D428-F505 HydrophobicContact CB-CG 4.16Å; D428-F505 HydrophobicContact CB-CZ 3.4Å; D428-F505 VanDerWaalsContact CB-CZ 3.4Å; D428-F505 WeakPolarHBondContact OD1-CE1 3.26Å; D428-F505 WeakPolarHBondContact OD1-CZ 3.31Å
429	V	98.8	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.2	179.8	-172.7	0	0	0	0	111	V398 A411 V427 I431 L488 D489 V490 I491	V398-V429 HydrophobicContact CB-CG1 4.31Å; V398-V429 HydrophobicContact CB-CG2 4.24Å; V398-V429 HydrophobicContact CG1-CB 4.11Å; V398-V429 HydrophobicContact CG1-CG1 3.73Å; V398-V429 HydrophobicContact CG1-CG2 4.26Å; V398-V429 HydrophobicContact CG2-CG2 4.3Å; A411-V429 HydrophobicContact CB-CG1 4.28Å; V427-V429 HydrophobicContact CG1-CG2 3.95Å; V429-I431 HydrophobicContact CG1-CG1 4.18Å; V429-L488 HydrophobicContact CG2-CD1 3.92Å; V429-D489 PolarHBondContact N-O 3.31Å; V429-V490 HydrophobicContact CB-CG2 4.43Å; V429-V490 WeakPolarHBondContact O-CA 3.36Å; V429-I491 PolarHBondContact O-N 2.69Å
430	L	98.4	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.2	172.1	178.2	64.1	0	0	0	109.8	A411 M412 I491 V493 F498 L502 F505	A411-L430 CarbonylContact C-O 3.54Å; A411-L430 WeakPolarHBondContact CA-O 3.11Å; M412-L430 PolarHBondContact N-O 3.19Å; M412-L430 PolarHBondContact O-N 2.8Å; L430-I491 HydrophobicContact CB-CG1 4.38Å; L430-I491 HydrophobicContact CD1-CD1 3.71Å; L430-I491 HydrophobicContact CD1-CG1 3.66Å; L430-V493 HydrophobicContact CD1-CB 4.47Å; L430-V493 HydrophobicContact CD1-CG1 4Å; L430-V493 HydrophobicContact CD1-CG2 3.66Å; L430-F498 HydrophobicContact CD2-CD2 3.73Å; L430-F498 HydrophobicContact CD2-CE2 3.55Å; L430-F498 HydrophobicContact CD2-CZ 4.39Å; L430-F498 HydrophobicContact CG-CD2 4.21Å; L430-F498 HydrophobicContact CG-CE2 3.97Å; L430-L502 HydrophobicContact CD2-CB 3.77Å; L430-L502 HydrophobicContact CD2-CD1 4.1Å; L430-F505 HydrophobicContact CB-CD2 4.24Å
431	I	98.3	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135	177.8	-57.2	178.4	0	0	0	109.7	V398 A402 L409 V410 A411 V429 V442 V446 V490 I491 V492 V493	V398-I431 HydrophobicContact CG1-CD1 4.18Å; A402-I431 HydrophobicContact CB-CD1 4.32Å; L409-I431 HydrophobicContact CD2-CG2 4.02Å; V410-I431 CarbonylContact O-C 3.58Å; V410-I431 VanDerWaalsContact O-CA 3.23Å; V410-I431 WeakPolarHBondContact O-CA 3.09Å; A411-I431 HydrophobicContact CB-CG1 3.98Å; V429-I431 HydrophobicContact CG1-CG1 4.18Å; I431-V442 HydrophobicContact CG2-CG1 4.44Å; I431-V446 HydrophobicContact CD1-CG1 4.38Å; I431-V490 HydrophobicContact CD1-CG1 3.59Å; I431-V490 HydrophobicContact CG1-CG1 4.16Å; I431-I491 PolarHBondContact N-O 3.28Å; I431-V492 HydrophobicContact CB-CG2 3.9Å; I431-V492 HydrophobicContact CD1-CG2 4.38Å; I431-V492 HydrophobicContact CG2-CG2 4.2Å; I431-V492 WeakPolarHBondContact O-CA 3.25Å; I431-V493 PolarHBondContact O-N 3.39Å
432	S	97.5	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	172.9	171.5	-164.2	0	0	0	0	110.7	V410 V493 Y495	V410-S432 PolarHBondContact N-O 2.94Å; V410-S432 PolarHBondContact O-N 3.02Å; S432-V493 WeakPolarHBondContact CB-O 2.73Å; S432-V493 PolarHBondContact OG-O 3.26Å; S432-Y495 WeakPolarHBondContact OG-CA 3.17Å; S432-Y495 PolarHBondContact OG-N 2.71Å
433	H	97.5	Very high	95.7	Very high	21 Å²	21	33.9 Å²	33.9	10%	0.097	20%	0.197	C	C	.	.			trans	-130.1	125.3	176.5	-165.2	-81.5	0	0	0	111.2	D406 G408 L409 D435 G436 H439 Y495	D406-H433 IonicContact OD1-NE2 3.9Å; D406-H433 IonicContact OD2-CD2 3.5Å; D406-H433 IonicContact OD2-NE2 2.69Å; G408-H433 WeakPolarHBondContact CA-NE2 3.46Å; G408-H433 PolarHBondContact O-CD2 2.59Å; L409-H433 HydrophobicContact CD2-CB 3.85Å; H433-D435 IonicContact CE1-OD1 3.77Å; H433-D435 IonicContact CE1-OD2 2.73Å; H433-D435 IonicContact CG-OD1 2.83Å; H433-D435 PolarHBondContact ND1-N 2.72Å; H433-D435 IonicContact ND1-OD1 3.71Å; H433-D435 PolarHBondContact ND1-OD1 2.81Å; H433-D435 IonicContact ND1-OD2 3.11Å; H433-D435 PolarHBondContact O-N 3.18Å; H433-G436 PolarHBondContact O-N 2.84Å; H433-H439 HydrophobicContact CB-CB 4.22Å; H433-Y495 WeakPolarHBondContact O-CB 3.4Å
434	P	95.9	Very high	95.4	Very high	63 Å²	63	33.5 Å²	33.5	41%	0.409	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.1	-173.6	-28.2	36.3	0	0	0	117	G408 V410 G436 Y495	G408-P434 WeakPolarHBondContact O-CD 3.39Å; V410-P434 HydrophobicContact CG2-CG 4Å; P434-G436 PolarHBondContact O-N 3.39Å; P434-Y495 HydrophobicContact CB-CD2 4.47Å; P434-Y495 HydrophobicContact CB-CE1 4.37Å; P434-Y495 HydrophobicContact CB-CE2 4.09Å; P434-Y495 HydrophobicContact CG-CE2 4.06Å
435	D	95.8	Very high	95.3	Very high	78 Å²	78	39.3 Å²	39.3	42%	0.417	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.8	176.7	82.6	-22.5	0	0	0	114.1	H433 K437 S438	H433-D435 IonicContact CE1-OD1 3.77Å; H433-D435 IonicContact CE1-OD2 2.73Å; H433-D435 IonicContact CG-OD1 2.83Å; H433-D435 PolarHBondContact ND1-N 2.72Å; H433-D435 IonicContact ND1-OD1 3.71Å; H433-D435 PolarHBondContact ND1-OD1 2.81Å; H433-D435 IonicContact ND1-OD2 3.11Å; H433-D435 PolarHBondContact O-N 3.18Å; D435-K437 PolarHBondContact O-N 2.96Å; D435-K437 PolarHBondContact OD1-N 3.49Å; D435-S438 PolarHBondContact OD1-N 3.33Å; D435-S438 PolarHBondContact OD2-N 2.93Å; D435-S438 PolarHBondContact OD2-OG 2.98Å
436	G	92.8	Very high	95.3	Very high	31 Å²	31	38.3 Å²	38.3	32%	0.32	21%	0.211	S	C	.	.	S	Bend	trans	72.9	4	-178	0	0	0	0	0	115.3	H433 P434 H439	H433-G436 PolarHBondContact O-N 2.84Å; P434-G436 PolarHBondContact O-N 3.39Å; G436-H439 PolarHBondContact O-CE1 2.62Å; G436-H439 PolarHBondContact O-ND1 2.85Å
437	K	93.6	Very high	95.2	Very high	154 Å²	154	36.4 Å²	36.4	67%	0.67	20%	0.201	S	C	*	.	S	Bend	trans	-129.1	-45.1	-172.7	-63.3	179.6	-176.3	177.1	0	113.4	D435 H439 K440	D435-K437 PolarHBondContact O-N 2.96Å; D435-K437 PolarHBondContact OD1-N 3.49Å; K437-H439 PolarHBondContact O-N 3.24Å; K437-K440 WeakPolarHBondContact O-CG 3.4Å; K437-K440 PolarHBondContact O-N 3.39Å; K437-K440 VanDerWaalsContact O-N 3.11Å
438	S	94.8	Very high	95.1	Very high	42 Å²	42	41.3 Å²	41.3	29%	0.294	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.6	-174.2	-66.5	0	0	0	0	114.7	D435 K440 V442	D435-S438 PolarHBondContact OD1-N 3.33Å; D435-S438 PolarHBondContact OD2-N 2.93Å; D435-S438 PolarHBondContact OD2-OG 2.98Å; S438-K440 PolarHBondContact O-N 2.67Å; S438-V442 WeakPolarHBondContact O-CG2 3.47Å
439	H	92.9	Very high	95	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.028	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.4	169.4	71.1	-81.8	0	0	0	112.5	H433 G436 K437 G441 V442 E468 V492	H433-H439 HydrophobicContact CB-CB 4.22Å; G436-H439 PolarHBondContact O-CE1 2.62Å; G436-H439 PolarHBondContact O-ND1 2.85Å; K437-H439 PolarHBondContact O-N 3.24Å; H439-G441 PolarHBondContact O-N 3.16Å; H439-V442 WeakPolarHBondContact O-CB 3.18Å; H439-V442 PolarHBondContact O-N 3.12Å; H439-E468 IonicContact NE2-OE2 3.08Å; H439-V492 HydrophobicContact CB-CG1 4.11Å
440	K	91.4	Very high	95	Very high	120 Å²	120	43.9 Å²	43.9	52%	0.522	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	130.9	-177.6	-63.8	-173.8	-173.5	-120.7	0	110.9	K437 S438 V442 E468	K437-K440 WeakPolarHBondContact O-CG 3.4Å; K437-K440 PolarHBondContact O-N 3.39Å; K437-K440 VanDerWaalsContact O-N 3.11Å; S438-K440 PolarHBondContact O-N 2.67Å; K440-V442 PolarHBondContact O-N 2.77Å; K440-E468 VanDerWaalsContact CE-OE2 3.29Å; K440-E468 WeakPolarHBondContact CE-OE2 3.49Å; K440-E468 IonicContact NZ-OE1 2.63Å; K440-E468 PolarHBondContact NZ-OE1 2.67Å; K440-E468 IonicContact NZ-OE2 2.77Å; K440-E468 PolarHBondContact NZ-OE2 3.12Å
441	G	88.8	Confident	95	Very high	35 Å²	35	46.9 Å²	46.9	36%	0.361	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	4.2	179.9	0	0	0	0	0	115.3	H439	H439-G441 PolarHBondContact O-N 3.16Å
442	V	92.3	Very high	94.9	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-71.9	-38.5	175.8	169.5	0	0	0	0	111.5	V405 L409 I431 S438 H439 K440 S444 K445 V446	V405-V442 HydrophobicContact CG1-CG1 4.47Å; V405-V442 HydrophobicContact CG1-CG2 4.22Å; L409-V442 HydrophobicContact CD1-CB 4.4Å; L409-V442 HydrophobicContact CD1-CG1 3.54Å; L409-V442 HydrophobicContact CD1-CG2 3.91Å; L409-V442 HydrophobicContact CD2-CG1 4.21Å; L409-V442 HydrophobicContact CD2-CG2 4.09Å; I431-V442 HydrophobicContact CG2-CG1 4.44Å; S438-V442 WeakPolarHBondContact O-CG2 3.47Å; H439-V442 WeakPolarHBondContact O-CB 3.18Å; H439-V442 PolarHBondContact O-N 3.12Å; K440-V442 PolarHBondContact O-N 2.77Å; V442-S444 PolarHBondContact O-N 2.81Å; V442-K445 PolarHBondContact O-N 3.23Å; V442-V446 HydrophobicContact CG1-CG2 3.59Å; V442-V446 WeakPolarHBondContact O-CG2 3.43Å; V442-V446 PolarHBondContact O-N 3.43Å
443	F	92.6	Very high	94.8	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.013	31%	0.314	C	S	.	.	H	α-helix	trans	-51.2	-56.8	-172.9	-175.7	-97.1	0	0	0	113.4	K445 V446 L447 E464 K470 K471 V492	F443-K445 VanDerWaalsContact C-N 3.34Å; F443-K445 PolarHBondContact O-N 3.04Å; F443-V446 PolarHBondContact O-N 3.37Å; F443-L447 HydrophobicContact CD1-CD1 3.93Å; F443-L447 HydrophobicContact CE1-CD1 3.42Å; F443-L447 VanDerWaalsContact CE1-CD1 3.42Å; F443-L447 HydrophobicContact CE1-CG 4.43Å; F443-L447 HydrophobicContact CE2-CD1 4.37Å; F443-L447 HydrophobicContact CZ-CD1 3.69Å; F443-L447 WeakPolarHBondContact O-CG 3.35Å; F443-L447 PolarHBondContact O-N 3.46Å; F443-E464 HydrophobicContact CD1-CG 4.04Å; F443-E464 HydrophobicContact CE1-CG 3.89Å; F443-K470 HydrophobicContact CB-CB 3.98Å; F443-K470 HydrophobicContact CB-CD 3.51Å; F443-K470 HydrophobicContact CB-CG 4.35Å; F443-K470 HydrophobicContact CD1-CB 3.98Å; F443-K470 HydrophobicContact CD1-CD 3.87Å; F443-K470 HydrophobicContact CD2-CB 3.45Å; F443-K470 VanDerWaalsContact CD2-CB 3.45Å; F443-K470 HydrophobicContact CE1-CB 4.28Å; F443-K470 HydrophobicContact CE2-CB 3.8Å; F443-K470 HydrophobicContact CG-CB 3.54Å; F443-K470 HydrophobicContact CG-CD 3.74Å; F443-K470 HydrophobicContact CG-CG 4.28Å; F443-K470 HydrophobicContact CZ-CB 4.18Å; F443-K471 VanDerWaalsContact CZ-C 3.41Å; F443-V492 HydrophobicContact CB-CG2 4.05Å; F443-V492 HydrophobicContact CD2-CB 4.3Å; F443-V492 HydrophobicContact CD2-CG2 3.75Å; F443-V492 HydrophobicContact CG-CG2 4.41Å
444	S	92.1	Very high	94.8	Very high	52 Å²	52	57.2 Å²	57.2	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-64.8	-36.2	-178.3	53.6	0	0	0	0	112.6	V442 Q448	V442-S444 PolarHBondContact O-N 2.81Å; S444-Q448 VanDerWaalsContact O-CB 3.3Å; S444-Q448 WeakPolarHBondContact O-CB 3.32Å; S444-Q448 PolarHBondContact O-N 3.48Å
445	K	95.4	Very high	94.9	Very high	123 Å²	123	54.8 Å²	54.8	54%	0.535	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-43.7	176.8	-64.1	177.9	-178.1	177.1	0	112.2	V405 V442 F443 Q448 I449	V405-K445 HydrophobicContact CG1-CB 4.2Å; V405-K445 HydrophobicContact CG1-CD 3.79Å; V405-K445 HydrophobicContact CG2-CB 3.74Å; V442-K445 PolarHBondContact O-N 3.23Å; F443-K445 VanDerWaalsContact C-N 3.34Å; F443-K445 PolarHBondContact O-N 3.04Å; K445-Q448 PolarHBondContact O-N 3.27Å; K445-I449 WeakPolarHBondContact O-CG1 3.02Å; K445-I449 PolarHBondContact O-N 3.34Å
446	V	96.9	Very high	95.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-47.4	177.2	172.1	0	0	0	0	110.2	A401 A402 V405 I431 V442 F443 Q448 I449 L450	A401-V446 HydrophobicContact CB-CG1 4.28Å; A402-V446 HydrophobicContact CB-CG2 4.26Å; V405-V446 HydrophobicContact CG2-CG2 3.94Å; I431-V446 HydrophobicContact CD1-CG1 4.38Å; V442-V446 HydrophobicContact CG1-CG2 3.59Å; V442-V446 WeakPolarHBondContact O-CG2 3.43Å; V442-V446 PolarHBondContact O-N 3.43Å; F443-V446 PolarHBondContact O-N 3.37Å; V446-Q448 VanDerWaalsContact C-N 3.33Å; V446-Q448 PolarHBondContact O-N 3.43Å; V446-I449 PolarHBondContact O-N 2.85Å; V446-L450 HydrophobicContact CG1-CD1 3.92Å; V446-L450 HydrophobicContact CG1-CG 4.43Å; V446-L450 VanDerWaalsContact O-CG 3.27Å; V446-L450 WeakPolarHBondContact O-CG 3.29Å; V446-L450 PolarHBondContact O-N 2.72Å; V446-L450 VanDerWaalsContact O-N 3.08Å
447	L	95.9	Very high	95.3	Very high	13 Å²	13	52 Å²	52	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-43.2	176.8	-65.3	-175.4	0	0	0	111.7	F443 I449 L450 H451 L456 Y472	F443-L447 HydrophobicContact CD1-CD1 3.93Å; F443-L447 HydrophobicContact CE1-CD1 3.42Å; F443-L447 VanDerWaalsContact CE1-CD1 3.42Å; F443-L447 HydrophobicContact CE1-CG 4.43Å; F443-L447 HydrophobicContact CE2-CD1 4.37Å; F443-L447 HydrophobicContact CZ-CD1 3.69Å; F443-L447 WeakPolarHBondContact O-CG 3.35Å; F443-L447 PolarHBondContact O-N 3.46Å; L447-I449 PolarHBondContact O-N 2.92Å; L447-L450 PolarHBondContact O-N 2.77Å; L447-L450 VanDerWaalsContact O-N 3.14Å; L447-H451 PolarHBondContact O-CD2 2.85Å; L447-H451 PolarHBondContact O-N 2.95Å; L447-L456 HydrophobicContact CD2-CD1 3.94Å; L447-Y472 HydrophobicContact CD1-CD2 3.65Å; L447-Y472 HydrophobicContact CD1-CE2 4.3Å; L447-Y472 HydrophobicContact CD1-CG 4.09Å; L447-Y472 HydrophobicContact CD2-CD1 3.86Å; L447-Y472 HydrophobicContact CD2-CD2 3.77Å; L447-Y472 HydrophobicContact CD2-CE1 4.25Å; L447-Y472 HydrophobicContact CD2-CE2 4.16Å; L447-Y472 HydrophobicContact CD2-CG 3.6Å; L447-Y472 HydrophobicContact CG-CD2 4.38Å
448	Q	96.2	Very high	95.5	Very high	104 Å²	104	45.9 Å²	45.9	49%	0.486	27%	0.272	S	S	.	.	H	α-helix	trans	-57.1	-48.2	177.1	-172.8	63.1	50.1	0	0	111.8	S444 K445 V446 L450 H451 D452	S444-Q448 VanDerWaalsContact O-CB 3.3Å; S444-Q448 WeakPolarHBondContact O-CB 3.32Å; S444-Q448 PolarHBondContact O-N 3.48Å; K445-Q448 PolarHBondContact O-N 3.27Å; V446-Q448 VanDerWaalsContact C-N 3.33Å; V446-Q448 PolarHBondContact O-N 3.43Å; Q448-L450 VanDerWaalsContact C-N 3.29Å; Q448-L450 PolarHBondContact O-N 2.6Å; Q448-H451 PolarHBondContact O-N 3.26Å; Q448-D452 PolarHBondContact NE2-OD1 3.08Å; Q448-D452 PolarHBondContact NE2-OD2 2.91Å; Q448-D452 WeakPolarHBondContact O-CB 3.18Å; Q448-D452 VanDerWaalsContact O-CG 3.25Å; Q448-D452 PolarHBondContact O-N 3.35Å
449	I	98	Very high	95.5	Very high	66 Å²	66	47.3 Å²	47.3	34%	0.338	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-42.8	176.8	-68.8	166.2	0	0	0	111.1	A401 A404 V405 K445 V446 L447 G453	A401-I449 HydrophobicContact CB-CB 4.32Å; A401-I449 HydrophobicContact CB-CG2 3.78Å; A404-I449 HydrophobicContact CB-CD1 4.26Å; V405-I449 HydrophobicContact CG2-CD1 3.65Å; K445-I449 WeakPolarHBondContact O-CG1 3.02Å; K445-I449 PolarHBondContact O-N 3.34Å; V446-I449 PolarHBondContact O-N 2.85Å; L447-I449 PolarHBondContact O-N 2.92Å; I449-G453 PolarHBondContact O-N 2.99Å
450	L	98.2	Very high	95.4	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-71.3	-32.2	-178.7	-63.1	172.4	0	0	0	112.7	V397 V398 A401 V446 L447 Q448 F455 L456	V397-L450 HydrophobicContact CG1-CD2 3.78Å; V398-L450 HydrophobicContact CG2-CD1 4.22Å; A401-L450 HydrophobicContact CB-CD2 3.65Å; A401-L450 HydrophobicContact CB-CG 3.98Å; V446-L450 HydrophobicContact CG1-CD1 3.92Å; V446-L450 HydrophobicContact CG1-CG 4.43Å; V446-L450 VanDerWaalsContact O-CG 3.27Å; V446-L450 WeakPolarHBondContact O-CG 3.29Å; V446-L450 PolarHBondContact O-N 2.72Å; V446-L450 VanDerWaalsContact O-N 3.08Å; L447-L450 PolarHBondContact O-N 2.77Å; L447-L450 VanDerWaalsContact O-N 3.14Å; Q448-L450 VanDerWaalsContact C-N 3.29Å; Q448-L450 PolarHBondContact O-N 2.6Å; L450-F455 HydrophobicContact CB-CD1 4.32Å; L450-F455 HydrophobicContact CD2-CD1 3.8Å; L450-F455 HydrophobicContact CD2-CE1 4.37Å; L450-F455 HydrophobicContact CG-CD1 4.5Å; L450-F455 WeakPolarHBondContact O-CB 3.42Å; L450-F455 PolarHBondContact O-N 3.35Å; L450-L456 HydrophobicContact CB-CD1 3.64Å; L450-L456 HydrophobicContact CB-CG 3.72Å; L450-L456 HydrophobicContact CD1-CD1 4.27Å; L450-L456 PolarHBondContact O-N 2.72Å; L450-L456 VanDerWaalsContact O-N 3.16Å
451	H	97.4	Very high	95.2	Very high	63 Å²	63	43.3 Å²	43.3	29%	0.292	26%	0.261	S	S	.	.	H	α-helix	trans	-70.7	-48.1	171.7	-79.9	-66.2	0	0	0	112.2	L447 Q448 G453 G454 D459	L447-H451 PolarHBondContact O-CD2 2.85Å; L447-H451 PolarHBondContact O-N 2.95Å; Q448-H451 PolarHBondContact O-N 3.26Å; H451-G453 PolarHBondContact O-N 3.15Å; H451-G454 WeakPolarHBondContact O-CA 3.34Å; H451-G454 PolarHBondContact O-N 3.07Å; H451-D459 IonicContact CE1-OD1 3Å; H451-D459 PolarHBondContact CE1-OD1 2.88Å; H451-D459 IonicContact CE1-OD2 2.86Å; H451-D459 PolarHBondContact CE1-OD2 2.93Å; H451-D459 VanDerWaalsContact CE1-OD2 3.27Å; H451-D459 IonicContact NE2-OD1 3.38Å; H451-D459 PolarHBondContact NE2-OD1 3.49Å; H451-D459 IonicContact NE2-OD2 3.61Å
452	D	97.5	Very high	94.8	Very high	121 Å²	121	44.5 Å²	44.5	65%	0.647	26%	0.264	S	S	*	.	H	α-helix	trans	-63.2	-33	-179.5	-69.6	-20.2	0	0	0	111.5	Q448 G454	Q448-D452 PolarHBondContact NE2-OD1 3.08Å; Q448-D452 PolarHBondContact NE2-OD2 2.91Å; Q448-D452 WeakPolarHBondContact O-CB 3.18Å; Q448-D452 VanDerWaalsContact O-CG 3.25Å; Q448-D452 PolarHBondContact O-N 3.35Å; D452-G454 PolarHBondContact O-N 3.14Å
453	G	95.7	Very high	93.9	Very high	65 Å²	65	47.2 Å²	47.2	67%	0.67	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-3.2	171.4	0	0	0	0	0	114.8	I449 H451 F455	I449-G453 PolarHBondContact O-N 2.99Å; H451-G453 PolarHBondContact O-N 3.15Å; G453-F455 PolarHBondContact O-N 3.35Å
454	G	96.9	Very high	92.7	Very high	51 Å²	51	50.5 Å²	50.5	53%	0.526	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	16.5	-176.6	0	0	0	0	0	114.2	H451 D452	H451-G454 WeakPolarHBondContact O-CA 3.34Å; H451-G454 PolarHBondContact O-N 3.07Å; D452-G454 PolarHBondContact O-N 3.14Å
455	F	98.4	Very high	91	Very high	12 Å²	12	55.3 Å²	55.3	5%	0.053	31%	0.314	C	S	.	.			trans	-80.4	-43.9	-178	175.9	-107	0	0	0	111.7	I394 V397 V398 L450 G453 C476 R477 L478 L488	I394-F455 HydrophobicContact CB-CZ 4.36Å; I394-F455 HydrophobicContact CG1-CE2 4.5Å; I394-F455 HydrophobicContact CG1-CZ 4.19Å; I394-F455 HydrophobicContact CG2-CZ 4Å; V397-F455 HydrophobicContact CB-CE1 4.42Å; V397-F455 HydrophobicContact CB-CE2 4.31Å; V397-F455 HydrophobicContact CB-CZ 4.2Å; V397-F455 HydrophobicContact CG1-CB 4.46Å; V397-F455 HydrophobicContact CG1-CD1 3.87Å; V397-F455 HydrophobicContact CG1-CD2 3.97Å; V397-F455 HydrophobicContact CG1-CE1 4Å; V397-F455 HydrophobicContact CG1-CE2 4.14Å; V397-F455 HydrophobicContact CG1-CG 3.82Å; V397-F455 HydrophobicContact CG1-CZ 4.14Å; V397-F455 HydrophobicContact CG2-CE2 4.38Å; V398-F455 HydrophobicContact CG2-CE1 4.32Å; L450-F455 HydrophobicContact CB-CD1 4.32Å; L450-F455 HydrophobicContact CD2-CD1 3.8Å; L450-F455 HydrophobicContact CD2-CE1 4.37Å; L450-F455 HydrophobicContact CG-CD1 4.5Å; L450-F455 WeakPolarHBondContact O-CB 3.42Å; L450-F455 PolarHBondContact O-N 3.35Å; G453-F455 PolarHBondContact O-N 3.35Å; F455-C476 HydrophobicContact CD1-CB 4Å; F455-C476 HydrophobicContact CD2-CB 4.47Å; F455-C476 HydrophobicContact CE1-CB 3.57Å; F455-C476 HydrophobicContact CE2-CB 4.05Å; F455-C476 HydrophobicContact CG-CB 4.46Å; F455-C476 HydrophobicContact CZ-CB 3.59Å; F455-C476 CarbonylContact O-C 3.44Å; F455-C476 WeakPolarHBondContact O-CA 3.34Å; F455-C476 WeakPolarHBondContact O-CB 3.46Å; F455-R477 WeakPolarHBondContact CD2-O 3.44Å; F455-R477 PolarHBondContact O-N 2.82Å; F455-L478 HydrophobicContact CE2-CD2 3.86Å; F455-L478 HydrophobicContact CE2-CG 4.29Å; F455-L488 HydrophobicContact CE1-CD2 3.81Å
456	L	98.3	Very high	89	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.2	168.5	-65.4	176.7	0	0	0	109.5	L447 L450 Y472 C476 L488	L447-L456 HydrophobicContact CD2-CD1 3.94Å; L450-L456 HydrophobicContact CB-CD1 3.64Å; L450-L456 HydrophobicContact CB-CG 3.72Å; L450-L456 HydrophobicContact CD1-CD1 4.27Å; L450-L456 PolarHBondContact O-N 2.72Å; L450-L456 VanDerWaalsContact O-N 3.16Å; L456-Y472 HydrophobicContact CD1-CE1 4.08Å; L456-Y472 HydrophobicContact CD1-CE2 4.46Å; L456-Y472 HydrophobicContact CD2-CE1 3.7Å; L456-Y472 WeakPolarHBondContact CD2-OH 3.23Å; L456-C476 HydrophobicContact CD2-CB 4.07Å; L456-L488 HydrophobicContact CD2-CD2 3.87Å
457	T	97.7	Very high	87.4	Confident	44 Å²	44	56.4 Å²	56.4	27%	0.27	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-30.6	-174.5	66.1	0	0	0	0	113.3	V475 R477 H485	T457-V475 PolarHBondContact N-O 3.12Å; T457-V475 PolarHBondContact OG1-O 2.93Å; T457-R477 HydrophobicContact CG2-CB 4.1Å; T457-H485 PolarHBondContact OG1-CD2 2.9Å
458	D	97.4	Very high	86.2	Confident	25 Å²	25	60.4 Å²	60.4	13%	0.134	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	140.4	-179.8	-60.2	-99.2	0	0	0	110.3	I374 K377 H378 G474 V475	I374-D458 HydrophobicContact CD1-CB 4.06Å; I374-D458 HydrophobicContact CG1-CB 4.16Å; I374-D458 HydrophobicContact CG2-CB 3.62Å; K377-D458 IonicContact NZ-OD1 3.76Å; K377-D458 PolarHBondContact NZ-OD1 2.83Å; K377-D458 IonicContact NZ-OD2 3.64Å; K377-D458 PolarHBondContact NZ-OD2 2.76Å; H378-D458 IonicContact CD2-OD2 2.77Å; H378-D458 IonicContact CE1-OD2 2.67Å; H378-D458 IonicContact NE2-OD2 2.67Å; H378-D458 PolarHBondContact NE2-OD2 3.34Å; D458-G474 CarbonylContact O-C 3.57Å; D458-G474 WeakPolarHBondContact O-CA 3.18Å; D458-V475 HydrophobicContact CB-CB 4.16Å; D458-V475 HydrophobicContact CB-CG2 4.32Å; D458-V475 PolarHBondContact N-O 3.04Å; D458-V475 PolarHBondContact O-N 3.43Å
459	D	95.1	Very high	85.2	Confident	72 Å²	72	56.2 Å²	56.2	39%	0.385	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128	-179	-55.7	-46.9	0	0	0	110.9	I374 H451 Y472	I374-D459 WeakPolarHBondContact CD1-O 2.94Å; H451-D459 IonicContact CE1-OD1 3Å; H451-D459 PolarHBondContact CE1-OD1 2.88Å; H451-D459 IonicContact CE1-OD2 2.86Å; H451-D459 PolarHBondContact CE1-OD2 2.93Å; H451-D459 VanDerWaalsContact CE1-OD2 3.27Å; H451-D459 IonicContact NE2-OD1 3.38Å; H451-D459 PolarHBondContact NE2-OD1 3.49Å; H451-D459 IonicContact NE2-OD2 3.61Å; D459-Y472 HydrophobicContact CB-CE2 4.32Å; D459-Y472 WeakPolarHBondContact OD1-CE2 3.45Å; D459-Y472 VanDerWaalsContact OD1-CZ 3.29Å; D459-Y472 PolarHBondContact OD1-OH 3.31Å
460	L	90.4	Very high	84.6	Confident	13 Å²	13	55.1 Å²	55.1	7%	0.068	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-51.3	178.8	-60.8	166.7	0	0	0	110.2	W341 T371 I374 M473 V475	W341-L460 HydrophobicContact CD2-CD1 3.76Å; W341-L460 HydrophobicContact CD2-CD2 4.08Å; W341-L460 HydrophobicContact CD2-CG 4.37Å; W341-L460 HydrophobicContact CE3-CB 4.23Å; W341-L460 HydrophobicContact CE3-CD1 4.11Å; W341-L460 HydrophobicContact CE3-CD2 3.66Å; W341-L460 HydrophobicContact CE3-CG 4.22Å; W341-L460 HydrophobicContact CG-CD1 4.24Å; W341-L460 HydrophobicContact CH2-CB 3.66Å; W341-L460 HydrophobicContact CH2-CD1 4.33Å; W341-L460 HydrophobicContact CH2-CG 4.42Å; W341-L460 HydrophobicContact CZ2-CB 4.03Å; W341-L460 HydrophobicContact CZ2-CD1 3.95Å; W341-L460 HydrophobicContact CZ3-CB 3.77Å; W341-L460 HydrophobicContact CZ3-CD1 4.4Å; W341-L460 HydrophobicContact CZ3-CD2 3.98Å; W341-L460 HydrophobicContact CZ3-CG 4.27Å; T371-L460 HydrophobicContact CG2-CB 4.5Å; T371-L460 WeakPolarHBondContact CG2-O 3.26Å; I374-L460 HydrophobicContact CB-CD2 3.73Å; I374-L460 HydrophobicContact CD1-CD2 4.07Å; I374-L460 HydrophobicContact CG2-CD2 3.56Å; I374-L460 HydrophobicContact CG2-CG 4.47Å; L460-M473 WeakPolarHBondContact CA-O 3.37Å; L460-M473 HydrophobicContact CB-CB 4.43Å; L460-M473 VanDerWaalsContact CB-O 3.28Å; L460-M473 WeakPolarHBondContact CB-O 3.47Å; L460-M473 PolarHBondContact N-O 3.12Å; L460-V475 HydrophobicContact CD1-CG2 4.14Å; L460-V475 HydrophobicContact CG-CG2 4.41Å
461	V	86.9	Confident	84.3	Confident	29 Å²	29	57 Å²	57	18%	0.176	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	126.2	-179.1	179.1	0	0	0	0	108.3	W341 H463 Y472 M473	W341-V461 HydrophobicContact CH2-CG2 3.78Å; V461-H463 WeakPolarHBondContact CG1-CD2 3.08Å; V461-H463 VanDerWaalsContact CG1-NE2 3.32Å; V461-H463 WeakPolarHBondContact CG1-NE2 3.39Å; V461-Y472 CarbonylContact O-C 3.42Å; V461-Y472 WeakPolarHBondContact O-CA 3.48Å; V461-M473 HydrophobicContact CB-CB 3.99Å; V461-M473 HydrophobicContact CB-CG 4.15Å; V461-M473 HydrophobicContact CB-SD 4.2Å; V461-M473 HydrophobicContact CG2-CB 4.46Å; V461-M473 HydrophobicContact CG2-SD 4.14Å; V461-M473 PolarHBondContact N-O 3.39Å; V461-M473 PolarHBondContact O-N 3.47Å
462	S	81	Confident	84.2	Confident	60 Å²	60	54 Å²	54	42%	0.42	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	101.5	166.4	-170	0	0	0	0	107.5
463	H	74.8	Confident	84.1	Confident	61 Å²	61	49.7 Å²	49.7	28%	0.282	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	104.9	175.8	-73.6	-57.6	0	0	0	108.9	V461 K471	V461-H463 WeakPolarHBondContact CG1-CD2 3.08Å; V461-H463 VanDerWaalsContact CG1-NE2 3.32Å; V461-H463 WeakPolarHBondContact CG1-NE2 3.39Å; H463-K471 PolarHBondContact N-O 3.43Å; H463-K471 PolarHBondContact O-N 2.81Å; H463-K471 VanDerWaalsContact O-N 3.15Å
464	E	66.8	Low	84.2	Confident	72 Å²	72	46.6 Å²	46.6	34%	0.336	27%	0.269	S	S	.	.			trans	-90	-12.9	172.8	-64.9	-151.9	-157	0	0	113.4	F443 K470	F443-E464 HydrophobicContact CD1-CG 4.04Å; F443-E464 HydrophobicContact CE1-CG 3.89Å; E464-K470 HydrophobicContact CB-CD 4.49Å; E464-K470 WeakPolarHBondContact O-CE 3.37Å; E464-K470 IonicContact OE2-NZ 3.73Å; E464-K470 PolarHBondContact OE2-NZ 3.03Å
465	D	56.8	Low	84.3	Confident	153 Å²	153	44.2 Å²	44.2	82%	0.818	24%	0.244	S	C	*	.			trans	-102.5	5	-166.3	-59.6	-34.6	0	0	0	114.8	G467	D465-G467 PolarHBondContact O-N 3.28Å
466	N	53.3	Low	84.3	Confident	91 Å²	91	43.6 Å²	43.6	49%	0.487	24%	0.241	S	C	.	.	S	Bend	trans	-81.2	42.5	-178.6	-80	3.8	0	0	0	113.4
467	G	63	Low	84.3	Confident	57 Å²	57	48.6 Å²	48.6	59%	0.588	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-142.1	-175.1	0	0	0	0	0	112.6	D465 Q469	D465-G467 PolarHBondContact O-N 3.28Å; G467-Q469 VanDerWaalsContact C-N 3.34Å
468	E	69.5	Low	84.3	Confident	97 Å²	97	47.2 Å²	47.2	45%	0.453	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.5	-179.6	-64.6	-74.6	162.7	0	0	112.4	H439 K440 P494	H439-E468 IonicContact NE2-OE2 3.08Å; K440-E468 VanDerWaalsContact CE-OE2 3.29Å; K440-E468 WeakPolarHBondContact CE-OE2 3.49Å; K440-E468 IonicContact NZ-OE1 2.63Å; K440-E468 PolarHBondContact NZ-OE1 2.67Å; K440-E468 IonicContact NZ-OE2 2.77Å; K440-E468 PolarHBondContact NZ-OE2 3.12Å; E468-P494 HydrophobicContact CB-CG 4.18Å
469	Q	75.8	Confident	84.2	Confident	15 Å²	15	51.1 Å²	51.1	7%	0.07	28%	0.277	C	S	.	.			trans	-80.8	124.6	172.2	177.4	172.1	-9	0	0	110.7	G467 V492 V493 H529	G467-Q469 VanDerWaalsContact C-N 3.34Å; Q469-V492 WeakPolarHBondContact CA-O 3.43Å; Q469-V493 HydrophobicContact CB-CG1 4.34Å; Q469-V493 HydrophobicContact CG-CG1 3.89Å; Q469-H529 PolarHBondContact OE1-CE1 3.41Å; Q469-H529 PolarHBondContact OE1-ND1 3.39Å
470	K	85.5	Confident	84.1	Confident	44 Å²	44	50.1 Å²	50.1	19%	0.191	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.4	172.8	-63	-170	168.4	-159.6	0	110.5	F443 E464 I491 V492	F443-K470 HydrophobicContact CB-CB 3.98Å; F443-K470 HydrophobicContact CB-CD 3.51Å; F443-K470 HydrophobicContact CB-CG 4.35Å; F443-K470 HydrophobicContact CD1-CB 3.98Å; F443-K470 HydrophobicContact CD1-CD 3.87Å; F443-K470 HydrophobicContact CD2-CB 3.45Å; F443-K470 VanDerWaalsContact CD2-CB 3.45Å; F443-K470 HydrophobicContact CE1-CB 4.28Å; F443-K470 HydrophobicContact CE2-CB 3.8Å; F443-K470 HydrophobicContact CG-CB 3.54Å; F443-K470 HydrophobicContact CG-CD 3.74Å; F443-K470 HydrophobicContact CG-CG 4.28Å; F443-K470 HydrophobicContact CZ-CB 4.18Å; E464-K470 HydrophobicContact CB-CD 4.49Å; E464-K470 WeakPolarHBondContact O-CE 3.37Å; E464-K470 IonicContact OE2-NZ 3.73Å; E464-K470 PolarHBondContact OE2-NZ 3.03Å; K470-I491 VanDerWaalsContact O-CA 3.32Å; K470-I491 WeakPolarHBondContact O-CA 3.26Å; K470-V492 PolarHBondContact N-O 3.38Å; K470-V492 PolarHBondContact O-N 2.84Å
471	K	92.1	Very high	84.1	Confident	44 Å²	44	55.9 Å²	55.9	19%	0.191	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.6	-176.2	-178.7	177.7	176.1	-174.2	0	111.4	F443 H463 M473 I491	F443-K471 VanDerWaalsContact CZ-C 3.41Å; H463-K471 PolarHBondContact N-O 3.43Å; H463-K471 PolarHBondContact O-N 2.81Å; H463-K471 VanDerWaalsContact O-N 3.15Å; K471-M473 WeakPolarHBondContact CE-SD 3.41Å; K471-M473 HydrophobicContact CG-CG 4.4Å; K471-I491 HydrophobicContact CB-CG2 3.94Å; K471-I491 HydrophobicContact CD-CG2 4.39Å; K471-I491 HydrophobicContact CG-CG2 3.81Å
472	Y	95.1	Very high	84.3	Confident	1 Å²	1	58.5 Å²	58.5	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.6	170.2	177.3	-103.5	0	0	0	109.3	L447 L456 D459 V461 D489 V490	L447-Y472 HydrophobicContact CD1-CD2 3.65Å; L447-Y472 HydrophobicContact CD1-CE2 4.3Å; L447-Y472 HydrophobicContact CD1-CG 4.09Å; L447-Y472 HydrophobicContact CD2-CD1 3.86Å; L447-Y472 HydrophobicContact CD2-CD2 3.77Å; L447-Y472 HydrophobicContact CD2-CE1 4.25Å; L447-Y472 HydrophobicContact CD2-CE2 4.16Å; L447-Y472 HydrophobicContact CD2-CG 3.6Å; L447-Y472 HydrophobicContact CG-CD2 4.38Å; L456-Y472 HydrophobicContact CD1-CE1 4.08Å; L456-Y472 HydrophobicContact CD1-CE2 4.46Å; L456-Y472 HydrophobicContact CD2-CE1 3.7Å; L456-Y472 WeakPolarHBondContact CD2-OH 3.23Å; D459-Y472 HydrophobicContact CB-CE2 4.32Å; D459-Y472 WeakPolarHBondContact OD1-CE2 3.45Å; D459-Y472 VanDerWaalsContact OD1-CZ 3.29Å; D459-Y472 PolarHBondContact OD1-OH 3.31Å; V461-Y472 CarbonylContact O-C 3.42Å; V461-Y472 WeakPolarHBondContact O-CA 3.48Å; Y472-D489 CarbonylContact O-C 3.22Å; Y472-D489 VanDerWaalsContact O-CA 3.31Å; Y472-D489 WeakPolarHBondContact O-CA 3.4Å; Y472-V490 HydrophobicContact CD1-CG2 4.31Å; Y472-V490 PolarHBondContact N-O 2.84Å; Y472-V490 PolarHBondContact O-N 3.05Å
473	M	95.8	Very high	85	Confident	30 Å²	30	61.4 Å²	61.4	15%	0.148	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.5	164.6	-52.7	175.8	85	0	0	107	W341 L460 V461 K471 R487 D489	W341-M473 HydrophobicContact CZ2-CE 4.08Å; W341-M473 HydrophobicContact CZ2-SD 4.31Å; L460-M473 WeakPolarHBondContact CA-O 3.37Å; L460-M473 HydrophobicContact CB-CB 4.43Å; L460-M473 VanDerWaalsContact CB-O 3.28Å; L460-M473 WeakPolarHBondContact CB-O 3.47Å; L460-M473 PolarHBondContact N-O 3.12Å; V461-M473 HydrophobicContact CB-CB 3.99Å; V461-M473 HydrophobicContact CB-CG 4.15Å; V461-M473 HydrophobicContact CB-SD 4.2Å; V461-M473 HydrophobicContact CG2-CB 4.46Å; V461-M473 HydrophobicContact CG2-SD 4.14Å; V461-M473 PolarHBondContact N-O 3.39Å; V461-M473 PolarHBondContact O-N 3.47Å; K471-M473 WeakPolarHBondContact CE-SD 3.41Å; K471-M473 HydrophobicContact CG-CG 4.4Å; M473-R487 VanDerWaalsContact CE-NH2 3.31Å; M473-D489 VanDerWaalsContact CA-OD1 3.26Å; M473-D489 WeakPolarHBondContact CA-OD1 3.32Å; M473-D489 VanDerWaalsContact CB-OD1 3.27Å; M473-D489 WeakPolarHBondContact CB-OD1 3.38Å; M473-D489 WeakPolarHBondContact CE-OD2 3.32Å; M473-D489 WeakPolarHBondContact CG-OD1 3.32Å
474	G	97.1	Very high	86.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-164.5	177.4	0	0	0	0	0	113.9	D458 R487 L488	D458-G474 CarbonylContact O-C 3.57Å; D458-G474 WeakPolarHBondContact O-CA 3.18Å; G474-R487 PolarHBondContact O-NH1 2.91Å; G474-L488 PolarHBondContact N-O 3.3Å; G474-L488 PolarHBondContact O-N 2.84Å; G474-L488 VanDerWaalsContact O-N 3.08Å
475	V	98.5	Very high	87.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.3	-178.7	-175	0	0	0	0	107.8	I374 L382 T457 D458 L460 H485 R486	I374-V475 HydrophobicContact CG2-CG2 3.98Å; L382-V475 HydrophobicContact CD2-CG1 4.35Å; L382-V475 HydrophobicContact CD2-CG2 4.4Å; T457-V475 PolarHBondContact N-O 3.12Å; T457-V475 PolarHBondContact OG1-O 2.93Å; D458-V475 HydrophobicContact CB-CB 4.16Å; D458-V475 HydrophobicContact CB-CG2 4.32Å; D458-V475 PolarHBondContact N-O 3.04Å; D458-V475 PolarHBondContact O-N 3.43Å; L460-V475 HydrophobicContact CD1-CG2 4.14Å; L460-V475 HydrophobicContact CG-CG2 4.41Å; V475-H485 HydrophobicContact CG1-CB 3.58Å; V475-R486 WeakPolarHBondContact CA-O 3.4Å
476	C	98.6	Very high	89.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	163.1	177.9	71.9	0	0	0	0	111	F455 L456 H485 R486 L488	F455-C476 HydrophobicContact CD1-CB 4Å; F455-C476 HydrophobicContact CD2-CB 4.47Å; F455-C476 HydrophobicContact CE1-CB 3.57Å; F455-C476 HydrophobicContact CE2-CB 4.05Å; F455-C476 HydrophobicContact CG-CB 4.46Å; F455-C476 HydrophobicContact CZ-CB 3.59Å; F455-C476 CarbonylContact O-C 3.44Å; F455-C476 WeakPolarHBondContact O-CA 3.34Å; F455-C476 WeakPolarHBondContact O-CB 3.46Å; L456-C476 HydrophobicContact CD2-CB 4.07Å; C476-H485 CarbonylContact O-C 3.56Å; C476-H485 WeakPolarHBondContact O-CA 3.43Å; C476-R486 PolarHBondContact N-O 3.31Å; C476-R486 PolarHBondContact O-N 3.11Å; C476-R486 PolarHBondContact SG-O 2.99Å; C476-L488 HydrophobicContact CB-CB 4.26Å; C476-L488 HydrophobicContact CB-CD2 4.24Å
477	R	98.4	Very high	91.8	Very high	113 Å²	113	51.6 Å²	51.6	43%	0.426	30%	0.297	S	S	.	.			trans	-146.4	125	171.9	-172.6	174.1	65.3	179.7	-1.5	109.9	F455 T457 R483 H485	F455-R477 WeakPolarHBondContact CD2-O 3.44Å; F455-R477 PolarHBondContact O-N 2.82Å; T457-R477 HydrophobicContact CG2-CB 4.1Å; R477-R483 WeakPolarHBondContact CD-O 3.29Å; R477-R483 HydrophobicContact CG-CB 3.97Å; R477-H485 PolarHBondContact NH1-CE1 2.93Å
478	L	98.1	Very high	93.5	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.073	27%	0.269	C	S	.	.			trans	-62.1	148.8	170.9	-72.8	169.8	0	0	0	110.5	E390 A393 I394 V397 F455 R483	E390-L478 HydrophobicContact CG-CD1 3.94Å; A393-L478 HydrophobicContact CB-CD1 3.83Å; A393-L478 HydrophobicContact CB-CD2 4.33Å; I394-L478 HydrophobicContact CG1-CD1 4.07Å; I394-L478 HydrophobicContact CG1-CD2 4.25Å; I394-L478 HydrophobicContact CG1-CG 3.96Å; V397-L478 HydrophobicContact CG2-CD2 4.02Å; F455-L478 HydrophobicContact CE2-CD2 3.86Å; F455-L478 HydrophobicContact CE2-CG 4.29Å; L478-R483 HydrophobicContact CB-CG 4.32Å; L478-R483 VanDerWaalsContact O-CB 3.29Å; L478-R483 WeakPolarHBondContact O-CB 3.34Å; L478-R483 WeakPolarHBondContact O-CG 3.47Å
479	P	95.6	Very high	94.8	Very high	108 Å²	108	44.8 Å²	44.8	70%	0.701	25%	0.25	S	C	*	.	S	Bend	trans	-68.2	156.5	177.6	28.7	-35.1	0	0	0	112
480	G	92.5	Very high	95.9	Very high	51 Å²	51	44.1 Å²	44.1	53%	0.526	25%	0.247	S	C	.	.	S	Bend	trans	107.1	163.2	175.7	0	0	0	0	0	114.3	R483	G480-R483 WeakPolarHBondContact O-CG 3.27Å
481	P	91.8	Very high	96.4	Very high	134 Å²	134	42.2 Å²	42.2	87%	0.87	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	148.5	-178.9	28.9	-34.8	0	0	0	111.6	R483	P481-R483 VanDerWaalsContact C-N 3.25Å; P481-R483 PolarHBondContact O-N 3.48Å
482	G	90.9	Very high	96.6	Very high	84 Å²	84	40.3 Å²	40.3	87%	0.866	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	9.7	175.5	0	0	0	0	0	115.5
483	R	96	Very high	96.6	Very high	121 Å²	121	40.2 Å²	40.2	46%	0.457	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-80.4	132.8	174.9	-61.8	-63	-172.5	-173.4	-2.9	110.9	R477 L478 G480 P481	R477-R483 WeakPolarHBondContact CD-O 3.29Å; R477-R483 HydrophobicContact CG-CB 3.97Å; L478-R483 HydrophobicContact CB-CG 4.32Å; L478-R483 VanDerWaalsContact O-CB 3.29Å; L478-R483 WeakPolarHBondContact O-CB 3.34Å; L478-R483 WeakPolarHBondContact O-CG 3.47Å; G480-R483 WeakPolarHBondContact O-CG 3.27Å; P481-R483 VanDerWaalsContact C-N 3.25Å; P481-R483 PolarHBondContact O-N 3.48Å
484	R	97.5	Very high	96.5	Very high	112 Å²	112	39 Å²	39	42%	0.423	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-88.2	156.9	175.8	-68.3	-176.4	177	-97	7.8	110.9	D381 D384	D381-R484 WeakPolarHBondContact OD1-CG 3.47Å; D381-R484 IonicContact OD1-CZ 2.67Å; D381-R484 IonicContact OD1-NH1 3.42Å; D381-R484 PolarHBondContact OD1-NH1 3.48Å; D384-R484 WeakPolarHBondContact OD2-CD 3.46Å; D384-R484 IonicContact OD2-NE 3.44Å
485	H	98.6	Very high	96.5	Very high	28 Å²	28	43.6 Å²	43.6	13%	0.13	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-74	136.3	169.5	-66.7	91.4	0	0	0	110.2	H378 D381 T457 V475 C476 R477	H378-H485 AromaticContact CE1-CD2 3.56Å; H378-H485 AromaticContact CE1-CE1 3.64Å; H378-H485 AromaticContact CE1-CG 3.48Å; H378-H485 VanDerWaalsContact CE1-CG 3.48Å; H378-H485 AromaticContact CE1-ND1 3.55Å; H378-H485 AromaticContact CE1-NE2 3.69Å; H378-H485 AromaticContact ND1-CG 3.61Å; H378-H485 AromaticContact ND1-ND1 3.55Å; D381-H485 HydrophobicContact CB-CB 4.26Å; D381-H485 IonicContact OD2-CG 3.49Å; D381-H485 PolarHBondContact OD2-N 3.18Å; D381-H485 IonicContact OD2-ND1 3.29Å; D381-H485 PolarHBondContact OD2-ND1 3.5Å; T457-H485 PolarHBondContact OG1-CD2 2.9Å; V475-H485 HydrophobicContact CG1-CB 3.58Å; C476-H485 CarbonylContact O-C 3.56Å; C476-H485 WeakPolarHBondContact O-CA 3.43Å; R477-H485 PolarHBondContact NH1-CE1 2.93Å
486	R	98.6	Very high	96.3	Very high	13 Å²	13	50.9 Å²	50.9	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.9	-176.8	-59	-55.8	-171.1	-175.9	5.9	110.7	D384 M386 E390 I394 V475 C476	D384-R486 PolarHBondContact O-NH1 3.15Å; D384-R486 IonicContact OD2-CZ 3.11Å; D384-R486 IonicContact OD2-NH1 3.36Å; D384-R486 PolarHBondContact OD2-NH1 3.31Å; D384-R486 IonicContact OD2-NH2 2.62Å; D384-R486 PolarHBondContact OD2-NH2 3.49Å; M386-R486 HydrophobicContact CE-CB 3.8Å; M386-R486 HydrophobicContact CE-CG 3.96Å; M386-R486 HydrophobicContact SD-CG 4.31Å; E390-R486 WeakPolarHBondContact OE1-CG 3.28Å; E390-R486 IonicContact OE1-CZ 3.56Å; E390-R486 IonicContact OE1-NE 3.38Å; E390-R486 PolarHBondContact OE1-NE 3.31Å; E390-R486 IonicContact OE1-NH2 2.59Å; E390-R486 IonicContact OE2-CZ 2.82Å; E390-R486 IonicContact OE2-NE 2.8Å; E390-R486 PolarHBondContact OE2-NE 2.95Å; E390-R486 IonicContact OE2-NH2 3.36Å; E390-R486 PolarHBondContact OE2-NH2 3.34Å; I394-R486 HydrophobicContact CD1-CB 3.94Å; I394-R486 HydrophobicContact CD1-CG 4.04Å; V475-R486 WeakPolarHBondContact CA-O 3.4Å; C476-R486 PolarHBondContact N-O 3.31Å; C476-R486 PolarHBondContact O-N 3.11Å; C476-R486 PolarHBondContact SG-O 2.99Å
487	R	98.4	Very high	96.1	Very high	17 Å²	17	52.5 Å²	52.5	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.8	171.2	-77.6	-70.9	-72.7	108	15.9	110.6	L382 D426 V427 M473 G474 D489	L382-R487 HydrophobicContact CD2-CG 3.92Å; D426-R487 HydrophobicContact CB-CB 3.65Å; V427-R487 PolarHBondContact N-O 2.82Å; M473-R487 VanDerWaalsContact CE-NH2 3.31Å; G474-R487 PolarHBondContact O-NH1 2.91Å; R487-D489 IonicContact CZ-OD1 2.64Å; R487-D489 IonicContact NH1-OD1 2.62Å; R487-D489 PolarHBondContact NH1-OD1 3.05Å; R487-D489 IonicContact NH2-OD1 3.71Å; R487-D489 PolarHBondContact NH2-OD1 2.58Å; R487-D489 IonicContact NH2-OD2 2.66Å; R487-D489 PolarHBondContact NH2-OD2 2.88Å; R487-D489 VanDerWaalsContact NH2-OD2 3.08Å
488	L	98.6	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128	172.7	171.8	62.4	0	0	0	108.9	I394 V398 V427 V429 F455 L456 G474 C476 V490	I394-L488 HydrophobicContact CG2-CD1 4.12Å; V398-L488 HydrophobicContact CG2-CD1 4.08Å; V398-L488 HydrophobicContact CG2-CD2 3.75Å; V427-L488 HydrophobicContact CB-CD1 4.21Å; V427-L488 HydrophobicContact CG1-CD1 4.48Å; V427-L488 WeakPolarHBondContact O-CA 3.41Å; V427-L488 WeakPolarHBondContact O-CD1 3.3Å; V429-L488 HydrophobicContact CG2-CD1 3.92Å; F455-L488 HydrophobicContact CE1-CD2 3.81Å; L456-L488 HydrophobicContact CD2-CD2 3.87Å; G474-L488 PolarHBondContact N-O 3.3Å; G474-L488 PolarHBondContact O-N 2.84Å; G474-L488 VanDerWaalsContact O-N 3.08Å; C476-L488 HydrophobicContact CB-CB 4.26Å; C476-L488 HydrophobicContact CB-CD2 4.24Å; L488-V490 HydrophobicContact CD1-CG2 3.98Å; L488-V490 HydrophobicContact CD2-CG2 4.2Å; L488-V490 HydrophobicContact CG-CG2 3.94Å
489	D	98.2	Very high	96	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.059	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.8	171.5	-71.3	-7.1	0	0	0	109.2	V427 D428 V429 Y472 M473 R487 F505	V427-D489 PolarHBondContact O-N 2.84Å; D428-D489 CarbonylContact C-O 3.46Å; V429-D489 PolarHBondContact N-O 3.31Å; Y472-D489 CarbonylContact O-C 3.22Å; Y472-D489 VanDerWaalsContact O-CA 3.31Å; Y472-D489 WeakPolarHBondContact O-CA 3.4Å; M473-D489 VanDerWaalsContact CA-OD1 3.26Å; M473-D489 WeakPolarHBondContact CA-OD1 3.32Å; M473-D489 VanDerWaalsContact CB-OD1 3.27Å; M473-D489 WeakPolarHBondContact CB-OD1 3.38Å; M473-D489 WeakPolarHBondContact CE-OD2 3.32Å; M473-D489 WeakPolarHBondContact CG-OD1 3.32Å; R487-D489 IonicContact CZ-OD1 2.64Å; R487-D489 IonicContact NH1-OD1 2.62Å; R487-D489 PolarHBondContact NH1-OD1 3.05Å; R487-D489 IonicContact NH2-OD1 3.71Å; R487-D489 PolarHBondContact NH2-OD1 2.58Å; R487-D489 IonicContact NH2-OD2 2.66Å; R487-D489 PolarHBondContact NH2-OD2 2.88Å; R487-D489 VanDerWaalsContact NH2-OD2 3.08Å; D489-F505 HydrophobicContact CB-CE1 4.34Å; D489-F505 HydrophobicContact CB-CZ 3.77Å
490	V	97.8	Very high	96.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.2	178.2	-175.5	0	0	0	0	108.5	V398 V429 I431 Y472 L488	V398-V490 HydrophobicContact CG1-CG2 4.23Å; V429-V490 HydrophobicContact CB-CG2 4.43Å; V429-V490 WeakPolarHBondContact O-CA 3.36Å; I431-V490 HydrophobicContact CD1-CG1 3.59Å; I431-V490 HydrophobicContact CG1-CG1 4.16Å; Y472-V490 HydrophobicContact CD1-CG2 4.31Å; Y472-V490 PolarHBondContact N-O 2.84Å; Y472-V490 PolarHBondContact O-N 3.05Å; L488-V490 HydrophobicContact CD1-CG2 3.98Å; L488-V490 HydrophobicContact CD2-CG2 4.2Å; L488-V490 HydrophobicContact CG-CG2 3.94Å
491	I	95.7	Very high	96.3	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.2	172.1	46.5	174.1	0	0	0	109.9	V429 L430 I431 K470 K471 F505	V429-I491 PolarHBondContact O-N 2.69Å; L430-I491 HydrophobicContact CB-CG1 4.38Å; L430-I491 HydrophobicContact CD1-CD1 3.71Å; L430-I491 HydrophobicContact CD1-CG1 3.66Å; I431-I491 PolarHBondContact N-O 3.28Å; K470-I491 VanDerWaalsContact O-CA 3.32Å; K470-I491 WeakPolarHBondContact O-CA 3.26Å; K471-I491 HydrophobicContact CB-CG2 3.94Å; K471-I491 HydrophobicContact CD-CG2 4.39Å; K471-I491 HydrophobicContact CG-CG2 3.81Å; I491-F505 HydrophobicContact CD1-CB 3.89Å; I491-F505 HydrophobicContact CD1-CD1 3.98Å; I491-F505 HydrophobicContact CD1-CD2 3.25Å; I491-F505 HydrophobicContact CD1-CE1 4.28Å; I491-F505 HydrophobicContact CD1-CE2 3.56Å; I491-F505 HydrophobicContact CD1-CG 3.47Å; I491-F505 VanDerWaalsContact CD1-CG 3.47Å; I491-F505 HydrophobicContact CD1-CZ 4.07Å; I491-F505 HydrophobicContact CG1-CD2 3.56Å; I491-F505 HydrophobicContact CG1-CE2 3.38Å; I491-F505 HydrophobicContact CG1-CG 4.27Å; I491-F505 HydrophobicContact CG1-CZ 3.99Å
492	V	96	Very high	96.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128	172.7	177.9	0	0	0	0	107.6	I431 H439 F443 Q469 K470	I431-V492 HydrophobicContact CB-CG2 3.9Å; I431-V492 HydrophobicContact CD1-CG2 4.38Å; I431-V492 HydrophobicContact CG2-CG2 4.2Å; I431-V492 WeakPolarHBondContact O-CA 3.25Å; H439-V492 HydrophobicContact CB-CG1 4.11Å; F443-V492 HydrophobicContact CB-CG2 4.05Å; F443-V492 HydrophobicContact CD2-CB 4.3Å; F443-V492 HydrophobicContact CD2-CG2 3.75Å; F443-V492 HydrophobicContact CG-CG2 4.41Å; Q469-V492 WeakPolarHBondContact CA-O 3.43Å; K470-V492 PolarHBondContact N-O 3.38Å; K470-V492 PolarHBondContact O-N 2.84Å
493	V	95.1	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.13	C	C	.	.			trans	-134	151.3	-176.6	-56.7	0	0	0	0	111.8	L430 I431 S432 Q469 F498	L430-V493 HydrophobicContact CD1-CB 4.47Å; L430-V493 HydrophobicContact CD1-CG1 4Å; L430-V493 HydrophobicContact CD1-CG2 3.66Å; I431-V493 PolarHBondContact O-N 3.39Å; S432-V493 WeakPolarHBondContact CB-O 2.73Å; S432-V493 PolarHBondContact OG-O 3.26Å; Q469-V493 HydrophobicContact CB-CG1 4.34Å; Q469-V493 HydrophobicContact CG-CG1 3.89Å; V493-F498 HydrophobicContact CG2-CD2 4.47Å
494	P	95.2	Very high	96.9	Very high	4 Å²	4	27 Å²	27	3%	0.026	12%	0.117	C	C	.	.			trans	-62.6	151.5	167.9	28.7	-35.6	0	0	0	110.9	E468 E496 E497 F498	E468-P494 HydrophobicContact CB-CG 4.18Å; P494-E496 HydrophobicContact CB-CG 4.2Å; P494-E496 HydrophobicContact CG-CG 4.33Å; P494-E496 PolarHBondContact O-N 3.36Å; P494-E497 HydrophobicContact CG-CB 4.19Å; P494-E497 HydrophobicContact CG-CG 3.76Å; P494-E497 PolarHBondContact O-N 3.35Å; P494-F498 PolarHBondContact O-N 3.43Å
495	Y	95.7	Very high	96.9	Very high	97 Å²	97	22.8 Å²	22.8	38%	0.38	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.9	-172	-161.4	-113.6	0	0	0	113.7	S432 H433 P434 E497 F498	S432-Y495 WeakPolarHBondContact OG-CA 3.17Å; S432-Y495 PolarHBondContact OG-N 2.71Å; H433-Y495 WeakPolarHBondContact O-CB 3.4Å; P434-Y495 HydrophobicContact CB-CD2 4.47Å; P434-Y495 HydrophobicContact CB-CE1 4.37Å; P434-Y495 HydrophobicContact CB-CE2 4.09Å; P434-Y495 HydrophobicContact CG-CE2 4.06Å; Y495-E497 VanDerWaalsContact C-N 3.25Å; Y495-E497 PolarHBondContact O-N 3.45Å; Y495-F498 HydrophobicContact CD2-CB 4.16Å; Y495-F498 HydrophobicContact CD2-CG 4.34Å; Y495-F498 HydrophobicContact CE2-CD1 4.22Å; Y495-F498 HydrophobicContact CE2-CG 4.33Å; Y495-F498 WeakPolarHBondContact O-CB 3.46Å; Y495-F498 PolarHBondContact O-N 2.95Å
496	E	94.5	Very high	96.9	Very high	152 Å²	152	21.4 Å²	21.4	71%	0.71	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.3	174.9	65.1	-169.2	164.8	0	0	113.3	P494	P494-E496 HydrophobicContact CB-CG 4.2Å; P494-E496 HydrophobicContact CG-CG 4.33Å; P494-E496 PolarHBondContact O-N 3.36Å
497	E	95.6	Very high	96.8	Very high	34 Å²	34	21 Å²	21	16%	0.159	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.2	176.8	-60.6	-175	-173.9	0	0	112.3	P494 Y495 A499 C500 S501 H529	P494-E497 HydrophobicContact CG-CB 4.19Å; P494-E497 HydrophobicContact CG-CG 3.76Å; P494-E497 PolarHBondContact O-N 3.35Å; Y495-E497 VanDerWaalsContact C-N 3.25Å; Y495-E497 PolarHBondContact O-N 3.45Å; E497-A499 VanDerWaalsContact C-N 3.29Å; E497-A499 PolarHBondContact O-N 3.4Å; E497-A499 VanDerWaalsContact O-N 3.12Å; E497-C500 PolarHBondContact O-N 2.85Å; E497-C500 VanDerWaalsContact O-N 3.07Å; E497-S501 WeakPolarHBondContact O-CB 3.35Å; E497-S501 PolarHBondContact O-N 2.88Å; E497-S501 PolarHBondContact O-OG 2.86Å; E497-H529 WeakPolarHBondContact CA-O 3.25Å; E497-H529 WeakPolarHBondContact CB-O 3.26Å; E497-H529 HydrophobicContact CG-CB 4.38Å; E497-H529 VanDerWaalsContact CG-O 3.29Å; E497-H529 WeakPolarHBondContact CG-O 3.2Å; E497-H529 IonicContact OE1-ND1 3.62Å; E497-H529 IonicContact OE2-CE1 2.74Å; E497-H529 IonicContact OE2-CG 3.56Å; E497-H529 IonicContact OE2-ND1 2.64Å; E497-H529 PolarHBondContact OE2-ND1 3.18Å
498	F	96.3	Very high	96.6	Very high	25 Å²	25	20.6 Å²	20.6	11%	0.11	10%	0.095	C	C	.	.	H	α-helix	trans	-53.5	-41.7	-168.8	-178.6	-108.4	0	0	0	113.2	V410 L430 V493 P494 Y495 L502	V410-F498 HydrophobicContact CG1-CE2 4.47Å; V410-F498 HydrophobicContact CG1-CZ 4.19Å; L430-F498 HydrophobicContact CD2-CD2 3.73Å; L430-F498 HydrophobicContact CD2-CE2 3.55Å; L430-F498 HydrophobicContact CD2-CZ 4.39Å; L430-F498 HydrophobicContact CG-CD2 4.21Å; L430-F498 HydrophobicContact CG-CE2 3.97Å; V493-F498 HydrophobicContact CG2-CD2 4.47Å; P494-F498 PolarHBondContact O-N 3.43Å; Y495-F498 HydrophobicContact CD2-CB 4.16Å; Y495-F498 HydrophobicContact CD2-CG 4.34Å; Y495-F498 HydrophobicContact CE2-CD1 4.22Å; Y495-F498 HydrophobicContact CE2-CG 4.33Å; Y495-F498 WeakPolarHBondContact O-CB 3.46Å; Y495-F498 PolarHBondContact O-N 2.95Å; F498-L502 HydrophobicContact CE1-CD2 4.12Å; F498-L502 HydrophobicContact CZ-CD2 4.34Å; F498-L502 WeakPolarHBondContact O-CB 3.49Å; F498-L502 PolarHBondContact O-N 3Å
499	A	97.5	Very high	96.1	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.122	C	C	.	.	H	α-helix	trans	-67.9	-43.2	-179.7	0	0	0	0	0	113.3	E497 M503 T551 T553	E497-A499 VanDerWaalsContact C-N 3.29Å; E497-A499 PolarHBondContact O-N 3.4Å; E497-A499 VanDerWaalsContact O-N 3.12Å; A499-M503 WeakPolarHBondContact O-CB 3.48Å; A499-M503 PolarHBondContact O-N 2.88Å; A499-M503 VanDerWaalsContact O-N 3.08Å; A499-T551 WeakPolarHBondContact CB-O 3.48Å; A499-T553 VanDerWaalsContact CB-C 3.49Å
500	C	97.6	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.4	-42	178.7	-71.4	0	0	0	0	110.4	E497 M503 Y504 E528 T551	E497-C500 PolarHBondContact O-N 2.85Å; E497-C500 VanDerWaalsContact O-N 3.07Å; C500-M503 PolarHBondContact O-N 3.4Å; C500-Y504 WeakPolarHBondContact O-CB 3.25Å; C500-Y504 PolarHBondContact O-N 3.31Å; C500-E528 CarbonylContact C-O 3.49Å; C500-E528 VanDerWaalsContact C-O 3.22Å; C500-E528 VanDerWaalsContact CB-O 3.23Å; C500-E528 WeakPolarHBondContact CB-O 3.43Å; C500-T551 PolarHBondContact SG-OG1 3.19Å
501	S	96.9	Very high	95.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.3	-42.5	177.1	-73.1	0	0	0	0	112	E497 M503 Y504 F505 E528	E497-S501 WeakPolarHBondContact O-CB 3.35Å; E497-S501 PolarHBondContact O-N 2.88Å; E497-S501 PolarHBondContact O-OG 2.86Å; S501-M503 VanDerWaalsContact C-N 3.34Å; S501-M503 PolarHBondContact O-N 2.85Å; S501-Y504 PolarHBondContact O-N 3.37Å; S501-F505 VanDerWaalsContact O-CB 3.29Å; S501-F505 WeakPolarHBondContact O-CB 3.26Å; S501-F505 PolarHBondContact O-N 2.99Å; S501-E528 WeakPolarHBondContact CA-O 3.2Å; S501-E528 PolarHBondContact N-O 2.82Å; S501-E528 PolarHBondContact OG-O 3.38Å
502	L	98.1	Very high	95.3	Very high	13 Å²	13	24.5 Å²	24.5	7%	0.068	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-44.9	175.1	179.9	60.6	0	0	0	111.2	M412 L430 F498 T506 E554	M412-L502 HydrophobicContact SD-CD1 3.91Å; L430-L502 HydrophobicContact CD2-CB 3.77Å; L430-L502 HydrophobicContact CD2-CD1 4.1Å; F498-L502 HydrophobicContact CE1-CD2 4.12Å; F498-L502 HydrophobicContact CZ-CD2 4.34Å; F498-L502 WeakPolarHBondContact O-CB 3.49Å; F498-L502 PolarHBondContact O-N 3Å; L502-T506 WeakPolarHBondContact O-CB 3.35Å; L502-T506 PolarHBondContact O-N 3.39Å; L502-T506 PolarHBondContact O-OG1 3.45Å; L502-E554 HydrophobicContact CD2-CG 4.13Å; L502-E554 HydrophobicContact CG-CG 4.38Å
503	M	97.4	Very high	95.1	Very high	4 Å²	4	28 Å²	28	2%	0.02	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-47.1	177.3	-176.8	-175.5	61.4	0	0	111.5	A499 C500 S501 T506 G507 M515 L526 E554 V557 F558	A499-M503 WeakPolarHBondContact O-CB 3.48Å; A499-M503 PolarHBondContact O-N 2.88Å; A499-M503 VanDerWaalsContact O-N 3.08Å; C500-M503 PolarHBondContact O-N 3.4Å; S501-M503 VanDerWaalsContact C-N 3.34Å; S501-M503 PolarHBondContact O-N 2.85Å; M503-T506 PolarHBondContact O-N 3.01Å; M503-G507 PolarHBondContact O-N 3.08Å; M503-M515 HydrophobicContact CE-CE 4.35Å; M503-M515 HydrophobicContact SD-CE 3.53Å; M503-M515 VanDerWaalsContact SD-CE 3.53Å; M503-L526 HydrophobicContact CE-CD1 3.71Å; M503-L526 HydrophobicContact CE-CD2 3.56Å; M503-L526 HydrophobicContact CE-CG 4.07Å; M503-E554 WeakPolarHBondContact CA-OE1 3.29Å; M503-E554 HydrophobicContact CB-CG 4.39Å; M503-V557 HydrophobicContact CE-CG1 3.76Å; M503-V557 HydrophobicContact SD-CB 4.46Å; M503-V557 HydrophobicContact SD-CG1 3.97Å; M503-F558 HydrophobicContact SD-CE2 4.21Å
504	Y	96.9	Very high	94.9	Very high	45 Å²	45	28 Å²	28	18%	0.176	14%	0.138	C	C	.	.	H	α-helix	trans	-55	-54	176.5	165.6	-99.3	0	0	0	110.9	C500 S501 T506 G507 N512 R516 E528	C500-Y504 WeakPolarHBondContact O-CB 3.25Å; C500-Y504 PolarHBondContact O-N 3.31Å; S501-Y504 PolarHBondContact O-N 3.37Å; Y504-T506 VanDerWaalsContact C-N 3.27Å; Y504-T506 PolarHBondContact O-N 2.79Å; Y504-G507 PolarHBondContact O-N 3.36Å; Y504-G507 VanDerWaalsContact O-N 3.15Å; Y504-N512 PolarHBondContact O-ND2 3.01Å; Y504-R516 VanDerWaalsContact CE2-NH2 3.27Å; Y504-E528 HydrophobicContact CD1-CB 3.72Å; Y504-E528 HydrophobicContact CD2-CB 4.1Å; Y504-E528 HydrophobicContact CE1-CB 4.28Å; Y504-E528 HydrophobicContact CG-CB 3.61Å
505	F	97.5	Very high	94.9	Very high	23 Å²	23	27.9 Å²	27.9	10%	0.101	14%	0.136	C	C	.	.	H	α-helix	trans	-75.2	-20.4	-173.6	-149.4	34.8	0	0	0	112.3	C414 G415 D428 L430 D489 I491 S501	C414-F505 HydrophobicContact CB-CB 3.9Å; C414-F505 HydrophobicContact CB-CD2 3.71Å; C414-F505 HydrophobicContact CB-CG 3.96Å; C414-F505 WeakPolarHBondContact CB-O 3.31Å; G415-F505 VanDerWaalsContact CA-O 3.25Å; G415-F505 WeakPolarHBondContact CA-O 3.47Å; G415-F505 PolarHBondContact N-O 3.21Å; D428-F505 VanDerWaalsContact C-CE2 3.46Å; D428-F505 HydrophobicContact CB-CD1 4.13Å; D428-F505 HydrophobicContact CB-CD2 3.82Å; D428-F505 HydrophobicContact CB-CE1 3.74Å; D428-F505 HydrophobicContact CB-CE2 3.45Å; D428-F505 VanDerWaalsContact CB-CE2 3.45Å; D428-F505 HydrophobicContact CB-CG 4.16Å; D428-F505 HydrophobicContact CB-CZ 3.4Å; D428-F505 VanDerWaalsContact CB-CZ 3.4Å; D428-F505 WeakPolarHBondContact OD1-CE1 3.26Å; D428-F505 WeakPolarHBondContact OD1-CZ 3.31Å; L430-F505 HydrophobicContact CB-CD2 4.24Å; D489-F505 HydrophobicContact CB-CE1 4.34Å; D489-F505 HydrophobicContact CB-CZ 3.77Å; I491-F505 HydrophobicContact CD1-CB 3.89Å; I491-F505 HydrophobicContact CD1-CD1 3.98Å; I491-F505 HydrophobicContact CD1-CD2 3.25Å; I491-F505 HydrophobicContact CD1-CE1 4.28Å; I491-F505 HydrophobicContact CD1-CE2 3.56Å; I491-F505 HydrophobicContact CD1-CG 3.47Å; I491-F505 VanDerWaalsContact CD1-CG 3.47Å; I491-F505 HydrophobicContact CD1-CZ 4.07Å; I491-F505 HydrophobicContact CG1-CD2 3.56Å; I491-F505 HydrophobicContact CG1-CE2 3.38Å; I491-F505 HydrophobicContact CG1-CG 4.27Å; I491-F505 HydrophobicContact CG1-CZ 3.99Å; S501-F505 VanDerWaalsContact O-CB 3.29Å; S501-F505 WeakPolarHBondContact O-CB 3.26Å; S501-F505 PolarHBondContact O-N 2.99Å
506	T	98.3	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.4	-39.8	168.9	-62	0	0	0	0	112.2	R418 R419 L502 M503 Y504 P568	R418-T506 HydrophobicContact CB-CG2 4.37Å; R418-T506 WeakPolarHBondContact CD-OG1 3.43Å; R418-T506 HydrophobicContact CG-CG2 4.24Å; R418-T506 PolarHBondContact NH1-OG1 2.92Å; R419-T506 VanDerWaalsContact CD-O 3.31Å; R419-T506 WeakPolarHBondContact CD-O 3.46Å; R419-T506 HydrophobicContact CG-CG2 3.84Å; R419-T506 PolarHBondContact NH1-O 3.24Å; L502-T506 WeakPolarHBondContact O-CB 3.35Å; L502-T506 PolarHBondContact O-N 3.39Å; L502-T506 PolarHBondContact O-OG1 3.45Å; M503-T506 PolarHBondContact O-N 3.01Å; Y504-T506 VanDerWaalsContact C-N 3.27Å; Y504-T506 PolarHBondContact O-N 2.79Å; T506-P568 HydrophobicContact CG2-CB 3.91Å; T506-P568 HydrophobicContact CG2-CG 4.37Å
507	G	95.4	Very high	94.7	Very high	4 Å²	4	17.8 Å²	17.8	4%	0.041	9%	0.091	C	C	.	.			trans	64	-153.7	-177.9	0	0	0	0	0	114.4	M503 Y504 R571	M503-G507 PolarHBondContact O-N 3.08Å; Y504-G507 PolarHBondContact O-N 3.36Å; Y504-G507 VanDerWaalsContact O-N 3.15Å; G507-R571 WeakPolarHBondContact O-CB 3.47Å
508	S	93.7	Very high	94.6	Very high	9 Å²	9	16.1 Å²	16.1	6%	0.063	8%	0.084	C	C	.	.			cis	-67.4	168	3.8	79.9	0	0	0	0	113.7	H510 F511 N512 R571 W573	S508-H510 VanDerWaalsContact C-N 3.25Å; S508-H510 PolarHBondContact O-N 3.17Å; S508-H510 PolarHBondContact OG-N 3.38Å; S508-F511 WeakPolarHBondContact O-CB 3.43Å; S508-F511 PolarHBondContact O-N 2.81Å; S508-F511 VanDerWaalsContact O-N 3.07Å; S508-F511 PolarHBondContact OG-N 2.92Å; S508-N512 PolarHBondContact O-N 3.33Å; S508-R571 WeakPolarHBondContact CB-O 3.34Å; S508-R571 PolarHBondContact N-O 2.83Å; S508-R571 VanDerWaalsContact N-O 3.16Å; S508-R571 PolarHBondContact OG-O 2.77Å; S508-W573 WeakPolarHBondContact CB-O 3.29Å; S508-W573 PolarHBondContact OG-N 3.43Å; S508-W573 PolarHBondContact OG-O 3.41Å
509	A	89.4	Confident	94.6	Very high	70 Å²	70	15 Å²	15	58%	0.579	8%	0.078	S	C	*	.	H	α-helix	trans	-55.8	-40	175.5	0	0	0	0	0	112.3	N512 R513	A509-N512 PolarHBondContact O-N 3.49Å; A509-R513 WeakPolarHBondContact O-CG 3.29Å; A509-R513 PolarHBondContact O-N 3.39Å
510	H	86.9	Confident	94.4	Very high	12 Å²	12	16 Å²	16	6%	0.056	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-40.4	176	-167	-59.9	0	0	0	111.9	S508 R513 S514 W573	S508-H510 VanDerWaalsContact C-N 3.25Å; S508-H510 PolarHBondContact O-N 3.17Å; S508-H510 PolarHBondContact OG-N 3.38Å; H510-R513 PolarHBondContact CD2-NH2 3.39Å; H510-R513 PolarHBondContact O-N 3.06Å; H510-S514 PolarHBondContact O-N 2.97Å; H510-W573 HydrophobicContact CB-CB 4.17Å; H510-W573 VanDerWaalsContact CB-O 3.28Å; H510-W573 WeakPolarHBondContact CB-O 3.02Å
511	F	92.3	Very high	94.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.8	-49	175	179.2	-89.8	0	0	0	111	C240 S508 R513 S514 M515 F558 R571	C240-F511 VanDerWaalsContact CA-CE2 3.49Å; C240-F511 HydrophobicContact CB-CD2 3.99Å; C240-F511 HydrophobicContact CB-CE2 3.66Å; C240-F511 HydrophobicContact CB-CZ 4.01Å; C240-F511 WeakPolarHBondContact O-CE2 3.38Å; S508-F511 WeakPolarHBondContact O-CB 3.43Å; S508-F511 PolarHBondContact O-N 2.81Å; S508-F511 VanDerWaalsContact O-N 3.07Å; S508-F511 PolarHBondContact OG-N 2.92Å; F511-R513 PolarHBondContact O-N 2.83Å; F511-S514 WeakPolarHBondContact O-CB 3.32Å; F511-S514 PolarHBondContact O-N 2.89Å; F511-S514 VanDerWaalsContact O-N 3.12Å; F511-M515 HydrophobicContact CD1-CG 4.02Å; F511-M515 HydrophobicContact CE1-CG 3.52Å; F511-M515 HydrophobicContact CE1-SD 4.17Å; F511-M515 HydrophobicContact CZ-CG 3.84Å; F511-M515 HydrophobicContact CZ-SD 3.94Å; F511-M515 WeakPolarHBondContact O-CG 3.48Å; F511-M515 PolarHBondContact O-N 2.91Å; F511-F558 HydrophobicContact CE1-CZ 4.2Å; F511-F558 AromaticContact CZ-CE1 3.77Å; F511-F558 HydrophobicContact CZ-CE1 3.77Å; F511-F558 AromaticContact CZ-CZ 3.59Å; F511-F558 HydrophobicContact CZ-CZ 3.59Å; F511-R571 HydrophobicContact CB-CB 4.35Å; F511-R571 HydrophobicContact CD1-CB 4.2Å; F511-R571 HydrophobicContact CD1-CG 4.31Å; F511-R571 HydrophobicContact CD2-CB 3.82Å; F511-R571 HydrophobicContact CD2-CG 4Å; F511-R571 HydrophobicContact CE1-CG 4.17Å; F511-R571 HydrophobicContact CE2-CB 4.18Å; F511-R571 HydrophobicContact CE2-CG 3.82Å; F511-R571 HydrophobicContact CG-CB 3.85Å; F511-R571 HydrophobicContact CG-CG 4.26Å; F511-R571 HydrophobicContact CZ-CG 3.94Å
512	N	95.2	Very high	93.9	Very high	15 Å²	15	21.4 Å²	21.4	8%	0.08	11%	0.111	C	C	.	.	H	α-helix	trans	-59.5	-47.4	177.7	-70.3	-6.6	0	0	0	112	Y504 S508 A509 S514 M515 R516	Y504-N512 PolarHBondContact O-ND2 3.01Å; S508-N512 PolarHBondContact O-N 3.33Å; A509-N512 PolarHBondContact O-N 3.49Å; N512-S514 VanDerWaalsContact C-N 3.27Å; N512-S514 PolarHBondContact O-N 2.92Å; N512-M515 WeakPolarHBondContact O-CB 3.06Å; N512-M515 PolarHBondContact O-N 3.33Å; N512-M515 VanDerWaalsContact O-N 3.11Å; N512-R516 WeakPolarHBondContact O-CG 3.37Å; N512-R516 PolarHBondContact O-N 3.23Å
513	R	90.8	Very high	93.7	Very high	79 Å²	79	26 Å²	26	30%	0.298	14%	0.135	S	C	.	.	H	α-helix	trans	-57.4	-40.9	175.3	-71.5	-172.5	-44	-120.7	1.5	112	A509 H510 F511 R516 A517	A509-R513 WeakPolarHBondContact O-CG 3.29Å; A509-R513 PolarHBondContact O-N 3.39Å; H510-R513 PolarHBondContact CD2-NH2 3.39Å; H510-R513 PolarHBondContact O-N 3.06Å; F511-R513 PolarHBondContact O-N 2.83Å; R513-R516 PolarHBondContact O-N 3.28Å; R513-A517 VanDerWaalsContact O-CB 3.26Å; R513-A517 WeakPolarHBondContact O-CB 3.49Å; R513-A517 PolarHBondContact O-N 2.9Å
514	S	91.1	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-39.9	176.2	-176.7	0	0	0	0	112.4	V239 C240 H510 F511 N512 L518	V239-S514 PolarHBondContact N-OG 3.3Å; C240-S514 PolarHBondContact N-OG 3.34Å; C240-S514 VanDerWaalsContact N-OG 3.12Å; C240-S514 PolarHBondContact SG-OG 3.1Å; H510-S514 PolarHBondContact O-N 2.97Å; F511-S514 WeakPolarHBondContact O-CB 3.32Å; F511-S514 PolarHBondContact O-N 2.89Å; F511-S514 VanDerWaalsContact O-N 3.12Å; N512-S514 VanDerWaalsContact C-N 3.27Å; N512-S514 PolarHBondContact O-N 2.92Å; S514-L518 WeakPolarHBondContact O-CB 3.23Å; S514-L518 PolarHBondContact O-N 3.45Å
515	M	95.3	Very high	93.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.2	-46.8	175.9	-71.6	-70.3	-84.6	0	0	111.3	C240 M503 F511 N512 A517 L518 A519 L526 V557 F558 L561 I563	C240-M515 HydrophobicContact CB-CG 3.56Å; C240-M515 HydrophobicContact CB-SD 3.4Å; C240-M515 WeakPolarHBondContact CB-SD 3.27Å; C240-M515 VanDerWaalsContact SG-SD 3.66Å; M503-M515 HydrophobicContact CE-CE 4.35Å; M503-M515 HydrophobicContact SD-CE 3.53Å; M503-M515 VanDerWaalsContact SD-CE 3.53Å; F511-M515 HydrophobicContact CD1-CG 4.02Å; F511-M515 HydrophobicContact CE1-CG 3.52Å; F511-M515 HydrophobicContact CE1-SD 4.17Å; F511-M515 HydrophobicContact CZ-CG 3.84Å; F511-M515 HydrophobicContact CZ-SD 3.94Å; F511-M515 WeakPolarHBondContact O-CG 3.48Å; F511-M515 PolarHBondContact O-N 2.91Å; N512-M515 WeakPolarHBondContact O-CB 3.06Å; N512-M515 PolarHBondContact O-N 3.33Å; N512-M515 VanDerWaalsContact O-N 3.11Å; M515-A517 PolarHBondContact O-N 3.32Å; M515-L518 PolarHBondContact O-N 3.23Å; M515-A519 PolarHBondContact O-N 2.67Å; M515-L526 HydrophobicContact CB-CD2 3.63Å; M515-V557 HydrophobicContact CE-CG1 4.12Å; M515-F558 HydrophobicContact CE-CD1 4.26Å; M515-F558 HydrophobicContact CE-CD2 4.32Å; M515-F558 HydrophobicContact CE-CE1 4.17Å; M515-F558 HydrophobicContact CE-CE2 4.23Å; M515-F558 HydrophobicContact CE-CG 4.36Å; M515-F558 HydrophobicContact CE-CZ 4.17Å; M515-F558 HydrophobicContact SD-CE1 4.46Å; M515-L561 HydrophobicContact CE-CD1 3.59Å; M515-L561 HydrophobicContact SD-CD1 4.17Å; M515-I563 HydrophobicContact CE-CD1 4.11Å; M515-I563 HydrophobicContact SD-CD1 3.48Å; M515-I563 WeakPolarHBondContact SD-CD1 3.48Å
516	R	95.3	Very high	93.6	Very high	37 Å²	37	23.9 Å²	23.9	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-43	177.7	-66.8	-177.3	178.7	163.4	-6.8	111.9	V195 Y504 N512 R513 A519 K520 L526 E528	V195-R516 HydrophobicContact CG2-CB 3.67Å; Y504-R516 VanDerWaalsContact CE2-NH2 3.27Å; N512-R516 WeakPolarHBondContact O-CG 3.37Å; N512-R516 PolarHBondContact O-N 3.23Å; R513-R516 PolarHBondContact O-N 3.28Å; R516-A519 PolarHBondContact O-N 2.79Å; R516-K520 PolarHBondContact O-N 2.81Å; R516-L526 HydrophobicContact CG-CB 4.37Å; R516-L526 HydrophobicContact CG-CD2 4.41Å; R516-L526 HydrophobicContact CG-CG 4.49Å; R516-L526 VanDerWaalsContact CG-O 3.32Å; R516-L526 WeakPolarHBondContact CG-O 3.43Å; R516-E528 IonicContact NH2-OE2 3.93Å; R516-E528 PolarHBondContact NH2-OE2 3.21Å
517	A	91.5	Very high	93.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-43.5	176.4	0	0	0	0	0	112.1	V195 L200 L203 W238 R513 M515 K520 T521	V195-A517 HydrophobicContact CG1-CB 3.87Å; V195-A517 HydrophobicContact CG2-CB 4.48Å; L200-A517 HydrophobicContact CD1-CB 3.82Å; L200-A517 VanDerWaalsContact CD1-O 3.24Å; L200-A517 WeakPolarHBondContact CD1-O 3.33Å; L203-A517 HydrophobicContact CB-CB 4.48Å; L203-A517 HydrophobicContact CD1-CB 3.33Å; W238-A517 HydrophobicContact CH2-CB 4.18Å; W238-A517 HydrophobicContact CZ3-CB 3.65Å; R513-A517 VanDerWaalsContact O-CB 3.26Å; R513-A517 WeakPolarHBondContact O-CB 3.49Å; R513-A517 PolarHBondContact O-N 2.9Å; M515-A517 PolarHBondContact O-N 3.32Å; A517-K520 WeakPolarHBondContact O-CB 3.23Å; A517-K520 PolarHBondContact O-N 2.84Å; A517-T521 WeakPolarHBondContact O-CG2 3.45Å; A517-T521 PolarHBondContact O-N 3.19Å
518	L	93.8	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-47.8	173.5	171.2	63.6	0	0	0	111.4	W238 S514 M515 K520 T521 L561 I563	W238-L518 HydrophobicContact CD2-CB 4.17Å; W238-L518 HydrophobicContact CD2-CD1 4.35Å; W238-L518 HydrophobicContact CE3-CB 4.36Å; W238-L518 HydrophobicContact CG-CD1 4.34Å; W238-L518 HydrophobicContact CZ2-CD1 4.31Å; S514-L518 WeakPolarHBondContact O-CB 3.23Å; S514-L518 PolarHBondContact O-N 3.45Å; M515-L518 PolarHBondContact O-N 3.23Å; L518-K520 VanDerWaalsContact C-N 3.27Å; L518-K520 PolarHBondContact O-N 2.97Å; L518-T521 PolarHBondContact O-N 3.36Å; L518-T521 VanDerWaalsContact O-N 3.1Å; L518-T521 PolarHBondContact O-OG1 3.02Å; L518-L561 HydrophobicContact CD2-CB 4.15Å; L518-I563 HydrophobicContact CD2-CD1 3.95Å; L518-I563 HydrophobicContact CD2-CG1 4.23Å; L518-I563 HydrophobicContact CD2-CG2 3.56Å
519	A	95.3	Very high	93.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.5	-44.2	176.7	0	0	0	0	0	111.5	M515 R516 T521 K522 M524 L526 L531 L561	M515-A519 PolarHBondContact O-N 2.67Å; R516-A519 PolarHBondContact O-N 2.79Å; A519-T521 VanDerWaalsContact C-N 3.28Å; A519-T521 PolarHBondContact O-N 2.94Å; A519-K522 WeakPolarHBondContact O-CA 3.47Å; A519-K522 PolarHBondContact O-N 2.97Å; A519-M524 CarbonylContact C-O 3.56Å; A519-M524 HydrophobicContact CB-CB 4.06Å; A519-M524 WeakPolarHBondContact O-CA 3.24Å; A519-M524 WeakPolarHBondContact O-CB 3.5Å; A519-M524 PolarHBondContact O-N 3.29Å; A519-L526 HydrophobicContact CB-CB 3.99Å; A519-L531 HydrophobicContact CB-CD1 4.4Å; A519-L561 HydrophobicContact CB-CD2 3.65Å
520	K	92.8	Very high	93.6	Very high	26 Å²	26	26.4 Å²	26.4	11%	0.113	13%	0.131	C	C	.	.	H	α-helix	trans	-58.2	-37.5	177.7	-171.9	170.2	174.6	-180	0	112.8	V195 L200 R516 A517 L518 K522 N523	V195-K520 PolarHBondContact O-NZ 2.96Å; L200-K520 HydrophobicContact CD2-CD 3.89Å; L200-K520 HydrophobicContact CD2-CG 4Å; R516-K520 PolarHBondContact O-N 2.81Å; A517-K520 WeakPolarHBondContact O-CB 3.23Å; A517-K520 PolarHBondContact O-N 2.84Å; L518-K520 VanDerWaalsContact C-N 3.27Å; L518-K520 PolarHBondContact O-N 2.97Å; K520-K522 PolarHBondContact O-N 3.27Å; K520-N523 PolarHBondContact O-N 3.24Å
521	T	91.8	Very high	94.1	Very high	59 Å²	59	25.8 Å²	25.8	36%	0.362	13%	0.128	S	C	.	.	H	α-helix	trans	-67.3	-16.4	175.7	67.3	0	0	0	0	114.6	L200 L204 W238 A517 L518 A519	L200-T521 HydrophobicContact CD1-CG2 3.8Å; L204-T521 HydrophobicContact CD1-CG2 4.15Å; L204-T521 HydrophobicContact CD2-CG2 4.14Å; L204-T521 HydrophobicContact CG-CG2 4.49Å; W238-T521 HydrophobicContact CH2-CG2 3.82Å; W238-T521 HydrophobicContact CZ2-CG2 3.69Å; A517-T521 WeakPolarHBondContact O-CG2 3.45Å; A517-T521 PolarHBondContact O-N 3.19Å; L518-T521 PolarHBondContact O-N 3.36Å; L518-T521 VanDerWaalsContact O-N 3.1Å; L518-T521 PolarHBondContact O-OG1 3.02Å; A519-T521 VanDerWaalsContact C-N 3.28Å; A519-T521 PolarHBondContact O-N 2.94Å
522	K	93.4	Very high	94.4	Very high	53 Å²	53	27 Å²	27	23%	0.23	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	15.9	179.6	-68.4	176	169.4	-108.9	0	112.4	A519 K520 M524 L561	A519-K522 WeakPolarHBondContact O-CA 3.47Å; A519-K522 PolarHBondContact O-N 2.97Å; K520-K522 PolarHBondContact O-N 3.27Å; K522-M524 HydrophobicContact CB-CG 3.98Å; K522-M524 HydrophobicContact CB-SD 3.97Å; K522-M524 WeakPolarHBondContact O-CG 3.4Å; K522-M524 PolarHBondContact O-N 2.98Å; K522-L561 WeakPolarHBondContact CE-O 3.48Å; K522-L561 PolarHBondContact NZ-O 2.86Å; K522-L561 VanDerWaalsContact NZ-O 3.09Å
523	N	93.9	Very high	94.4	Very high	109 Å²	109	30.4 Å²	30.4	58%	0.583	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	32.6	-170.6	-58	-40.9	0	0	0	112.7	K520 D534 V535	K520-N523 PolarHBondContact O-N 3.24Å; N523-D534 PolarHBondContact O-N 2.96Å; N523-V535 WeakPolarHBondContact O-CB 3.48Å; N523-V535 PolarHBondContact O-N 2.66Å
524	M	96.1	Very high	94.6	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.079	16%	0.156	C	C	.	.			trans	-110.6	167.7	176	-56.4	176.6	85.6	0	0	110.1	A519 K522 L531 N532 K533 R537 L549 L561	A519-M524 CarbonylContact C-O 3.56Å; A519-M524 HydrophobicContact CB-CB 4.06Å; A519-M524 WeakPolarHBondContact O-CA 3.24Å; A519-M524 WeakPolarHBondContact O-CB 3.5Å; A519-M524 PolarHBondContact O-N 3.29Å; K522-M524 HydrophobicContact CB-CG 3.98Å; K522-M524 HydrophobicContact CB-SD 3.97Å; K522-M524 WeakPolarHBondContact O-CG 3.4Å; K522-M524 PolarHBondContact O-N 2.98Å; M524-L531 HydrophobicContact CB-CD1 4.29Å; M524-L531 HydrophobicContact CE-CD1 3.86Å; M524-L531 HydrophobicContact CE-CD2 3.71Å; M524-L531 HydrophobicContact CE-CG 3.73Å; M524-N532 CarbonylContact C-O 3.53Å; M524-N532 WeakPolarHBondContact CA-O 3.44Å; M524-N532 WeakPolarHBondContact CB-O 3.37Å; M524-K533 HydrophobicContact CE-CB 4.44Å; M524-R537 PolarHBondContact O-NH1 3.45Å; M524-R537 PolarHBondContact O-NH2 3.08Å; M524-L549 HydrophobicContact CE-CD1 3.31Å; M524-L561 HydrophobicContact SD-CD2 3.99Å
525	S	95.9	Very high	94.8	Very high	7 Å²	7	30.9 Å²	30.9	5%	0.049	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.2	169.2	-147.5	0	0	0	0	108.7	D193 L531 N532 R537 K542	D193-S525 PolarHBondContact OD2-OG 3.28Å; S525-L531 CarbonylContact O-C 3.42Å; S525-L531 WeakPolarHBondContact O-CA 3.38Å; S525-N532 PolarHBondContact N-O 3.4Å; S525-N532 PolarHBondContact O-N 3.07Å; S525-R537 PolarHBondContact OG-NH2 3.15Å; S525-K542 WeakPolarHBondContact OG-CE 3.33Å; S525-K542 PolarHBondContact OG-NZ 3.42Å
526	L	96.6	Very high	94.6	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.1	178.4	173.1	68.1	0	0	0	108.4	M503 M515 R516 A519 L531 V557 L561	M503-L526 HydrophobicContact CE-CD1 3.71Å; M503-L526 HydrophobicContact CE-CD2 3.56Å; M503-L526 HydrophobicContact CE-CG 4.07Å; M515-L526 HydrophobicContact CB-CD2 3.63Å; R516-L526 HydrophobicContact CG-CB 4.37Å; R516-L526 HydrophobicContact CG-CD2 4.41Å; R516-L526 HydrophobicContact CG-CG 4.49Å; R516-L526 VanDerWaalsContact CG-O 3.32Å; R516-L526 WeakPolarHBondContact CG-O 3.43Å; A519-L526 HydrophobicContact CB-CB 3.99Å; L526-L531 HydrophobicContact CB-CD1 3.96Å; L526-L531 HydrophobicContact CD1-CB 4.12Å; L526-L531 HydrophobicContact CD1-CD1 4.15Å; L526-V557 HydrophobicContact CD1-CG1 4.04Å; L526-L561 HydrophobicContact CD2-CD1 4.42Å
527	S	94.7	Very high	94.3	Very high	17 Å²	17	35.9 Å²	35.9	12%	0.119	19%	0.185	C	C	.	.			trans	-120	-177.1	171.5	65.7	0	0	0	0	110.1	D193 H529 S530	D193-S527 WeakPolarHBondContact OD1-CB 3.43Å; S527-H529 PolarHBondContact O-N 3.14Å; S527-H529 PolarHBondContact OG-N 3.06Å; S527-S530 PolarHBondContact N-O 3.21Å; S527-S530 PolarHBondContact OG-N 3.34Å; S527-S530 PolarHBondContact OG-O 2.83Å
528	E	93.4	Very high	94.1	Very high	29 Å²	29	42.6 Å²	42.6	14%	0.136	22%	0.217	C	C	.	.	S	Bend	trans	-63.3	-26.4	166.1	54	-99.6	-130.6	0	0	113.5	C500 S501 Y504 R516	C500-E528 CarbonylContact C-O 3.49Å; C500-E528 VanDerWaalsContact C-O 3.22Å; C500-E528 VanDerWaalsContact CB-O 3.23Å; C500-E528 WeakPolarHBondContact CB-O 3.43Å; S501-E528 WeakPolarHBondContact CA-O 3.2Å; S501-E528 PolarHBondContact N-O 2.82Å; S501-E528 PolarHBondContact OG-O 3.38Å; Y504-E528 HydrophobicContact CD1-CB 3.72Å; Y504-E528 HydrophobicContact CD2-CB 4.1Å; Y504-E528 HydrophobicContact CE1-CB 4.28Å; Y504-E528 HydrophobicContact CG-CB 3.61Å; R516-E528 IonicContact NH2-OE2 3.93Å; R516-E528 PolarHBondContact NH2-OE2 3.21Å
529	H	93.9	Very high	93.4	Very high	63 Å²	63	45 Å²	45	29%	0.292	24%	0.241	S	C	.	.	S	Bend	trans	-80.9	-50.9	-178.2	-55.9	-64.9	0	0	0	111.2	Q469 E497 S527	Q469-H529 PolarHBondContact OE1-CE1 3.41Å; Q469-H529 PolarHBondContact OE1-ND1 3.39Å; E497-H529 WeakPolarHBondContact CA-O 3.25Å; E497-H529 WeakPolarHBondContact CB-O 3.26Å; E497-H529 HydrophobicContact CG-CB 4.38Å; E497-H529 VanDerWaalsContact CG-O 3.29Å; E497-H529 WeakPolarHBondContact CG-O 3.2Å; E497-H529 IonicContact OE1-ND1 3.62Å; E497-H529 IonicContact OE2-CE1 2.74Å; E497-H529 IonicContact OE2-CG 3.56Å; E497-H529 IonicContact OE2-ND1 2.64Å; E497-H529 PolarHBondContact OE2-ND1 3.18Å; S527-H529 PolarHBondContact O-N 3.14Å; S527-H529 PolarHBondContact OG-N 3.06Å
530	S	95.9	Very high	92.4	Very high	27 Å²	27	48.2 Å²	48.2	19%	0.189	26%	0.264	C	S	.	.			trans	-156.9	162.9	-169.6	63	0	0	0	0	113.9	S527 N532	S527-S530 PolarHBondContact N-O 3.21Å; S527-S530 PolarHBondContact OG-N 3.34Å; S527-S530 PolarHBondContact OG-O 2.83Å; S530-N532 WeakPolarHBondContact CB-OD1 3.21Å; S530-N532 PolarHBondContact OG-OD1 3.28Å
531	L	97.8	Very high	91.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.6	163.1	177.6	65.1	0	0	0	108.7	A519 M524 S525 L526 L549 T551 V557 L560 L561	A519-L531 HydrophobicContact CB-CD1 4.4Å; M524-L531 HydrophobicContact CB-CD1 4.29Å; M524-L531 HydrophobicContact CE-CD1 3.86Å; M524-L531 HydrophobicContact CE-CD2 3.71Å; M524-L531 HydrophobicContact CE-CG 3.73Å; S525-L531 CarbonylContact O-C 3.42Å; S525-L531 WeakPolarHBondContact O-CA 3.38Å; L526-L531 HydrophobicContact CB-CD1 3.96Å; L526-L531 HydrophobicContact CD1-CB 4.12Å; L526-L531 HydrophobicContact CD1-CD1 4.15Å; L531-L549 HydrophobicContact CD2-CD1 4.32Å; L531-L549 HydrophobicContact CG-CD1 4.38Å; L531-L549 WeakPolarHBondContact O-CB 3.38Å; L531-L549 PolarHBondContact O-N 3.03Å; L531-T551 HydrophobicContact CB-CG2 4.25Å; L531-T551 HydrophobicContact CD2-CG2 4.46Å; L531-V557 HydrophobicContact CD2-CG1 4.35Å; L531-L560 HydrophobicContact CD2-CB 3.7Å; L531-L560 HydrophobicContact CD2-CD1 3.91Å; L531-L560 HydrophobicContact CD2-CG 4.47Å; L531-L561 HydrophobicContact CD1-CD2 4.12Å; L531-L561 HydrophobicContact CD2-CG 4.46Å
532	N	97.2	Very high	91.5	Very high	24 Å²	24	51.8 Å²	51.8	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	140	179.4	-66.1	4.6	0	0	0	111.2	M524 S525 S530 V535 G545 N547 P548	M524-N532 CarbonylContact C-O 3.53Å; M524-N532 WeakPolarHBondContact CA-O 3.44Å; M524-N532 WeakPolarHBondContact CB-O 3.37Å; S525-N532 PolarHBondContact N-O 3.4Å; S525-N532 PolarHBondContact O-N 3.07Å; S530-N532 WeakPolarHBondContact CB-OD1 3.21Å; S530-N532 PolarHBondContact OG-OD1 3.28Å; N532-V535 HydrophobicContact CB-CG2 4.02Å; N532-G545 WeakPolarHBondContact CB-O 3.41Å; N532-G545 PolarHBondContact ND2-O 2.99Å; N532-N547 CarbonylContact C-O 3.55Å; N532-N547 WeakPolarHBondContact CA-O 3.41Å; N532-P548 VanDerWaalsContact OD1-CA 3.27Å; N532-P548 WeakPolarHBondContact OD1-CA 3.06Å
533	K	96.3	Very high	91.3	Very high	87 Å²	87	55 Å²	55	38%	0.378	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	172.6	168.6	61.4	159.4	-179.4	159.3	0	111.6	M524 V535 G546 N547 L549	M524-K533 HydrophobicContact CE-CB 4.44Å; K533-V535 PolarHBondContact O-N 3.01Å; K533-G546 CarbonylContact O-C 3.56Å; K533-G546 WeakPolarHBondContact O-CA 3.3Å; K533-N547 PolarHBondContact N-O 3.03Å; K533-N547 PolarHBondContact O-N 3.28Å; K533-L549 HydrophobicContact CB-CD1 4Å; K533-L549 HydrophobicContact CB-CD2 4.46Å; K533-L549 HydrophobicContact CB-CG 4.18Å; K533-L549 HydrophobicContact CD-CD2 3.74Å; K533-L549 HydrophobicContact CD-CG 4.36Å; K533-L549 HydrophobicContact CG-CD1 4.25Å; K533-L549 HydrophobicContact CG-CD2 3.82Å; K533-L549 HydrophobicContact CG-CG 3.91Å
534	D	94.6	Very high	91.1	Very high	86 Å²	86	54.3 Å²	54.3	46%	0.46	29%	0.292	S	S	.	.	S	Bend	trans	59	38.1	175.4	-46.6	-38	0	0	0	112.1	N523 H544	N523-D534 PolarHBondContact O-N 2.96Å; D534-H544 PolarHBondContact O-ND1 3.45Å
535	V	94.8	Very high	90.7	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	31%	0.305	C	S	.	.			trans	-86.5	117.1	-178	-175.6	0	0	0	0	109.1	N523 N532 K533 R537 K542 H544	N523-V535 WeakPolarHBondContact O-CB 3.48Å; N523-V535 PolarHBondContact O-N 2.66Å; N532-V535 HydrophobicContact CB-CG2 4.02Å; K533-V535 PolarHBondContact O-N 3.01Å; V535-R537 HydrophobicContact CG1-CG 4.42Å; V535-K542 HydrophobicContact CG1-CD 3.65Å; V535-K542 HydrophobicContact CG1-CG 3.6Å; V535-H544 WeakPolarHBondContact CG1-O 3.38Å
536	V	91.9	Very high	90.5	Very high	85 Å²	85	55.5 Å²	55.5	52%	0.515	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.5	-179.4	-174.9	0	0	0	0	109.9	M543 H544	V536-M543 PolarHBondContact O-N 3.22Å; V536-H544 HydrophobicContact CB-CB 3.93Å; V536-H544 HydrophobicContact CG2-CB 4.17Å; V536-H544 PolarHBondContact N-O 3.07Å; V536-H544 PolarHBondContact O-N 3.37Å
537	R	89.7	Confident	90.4	Very high	57 Å²	57	59.2 Å²	59.2	22%	0.215	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.9	-178.2	-63.9	-178.7	177.1	80.6	-5.1	111.6	M524 S525 V535 V541	M524-R537 PolarHBondContact O-NH1 3.45Å; M524-R537 PolarHBondContact O-NH2 3.08Å; S525-R537 PolarHBondContact OG-NH2 3.15Å; V535-R537 HydrophobicContact CG1-CG 4.42Å; R537-V541 CarbonylContact C-O 3.57Å; R537-V541 WeakPolarHBondContact CA-O 3.21Å; R537-V541 WeakPolarHBondContact CB-O 3.45Å
538	Q	85.3	Confident	90.5	Very high	142 Å²	142	62.8 Å²	62.8	66%	0.664	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	107	164.8	-170	178	24.6	0	0	107.3	S540 V541 M543	Q538-S540 PolarHBondContact O-N 3.09Å; Q538-V541 PolarHBondContact N-O 3.05Å; Q538-V541 PolarHBondContact O-N 3.38Å; Q538-V541 VanDerWaalsContact O-N 3.08Å; Q538-M543 HydrophobicContact CB-CG 3.91Å; Q538-M543 HydrophobicContact CB-SD 4.13Å
539	G	81.1	Confident	90.6	Very high	50 Å²	50	62.9 Å²	62.9	52%	0.515	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-123.9	-167.9	0	0	0	0	0	111.9
540	S	73.5	Confident	90.7	Very high	68 Å²	68	65.2 Å²	65.2	48%	0.476	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-15.7	174.5	52.1	0	0	0	0	114.4	Q538	Q538-S540 PolarHBondContact O-N 3.09Å
541	V	80.1	Confident	90.7	Very high	87 Å²	87	64.4 Å²	64.4	53%	0.527	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131	-171.7	-177	0	0	0	0	110.1	R537 Q538 M543	R537-V541 CarbonylContact C-O 3.57Å; R537-V541 WeakPolarHBondContact CA-O 3.21Å; R537-V541 WeakPolarHBondContact CB-O 3.45Å; Q538-V541 PolarHBondContact N-O 3.05Å; Q538-V541 PolarHBondContact O-N 3.38Å; Q538-V541 VanDerWaalsContact O-N 3.08Å; V541-M543 HydrophobicContact CG1-SD 4.13Å; V541-M543 PolarHBondContact O-N 2.72Å
542	K	84.4	Confident	90.5	Very high	73 Å²	73	68.5 Å²	68.5	32%	0.317	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.9	176.6	-165.9	-172.3	-61.5	176.6	0	109.2	D193 S525 V535 H544	D193-K542 IonicContact OD2-NZ 3.59Å; D193-K542 PolarHBondContact OD2-NZ 3.45Å; S525-K542 WeakPolarHBondContact OG-CE 3.33Å; S525-K542 PolarHBondContact OG-NZ 3.42Å; V535-K542 HydrophobicContact CG1-CD 3.65Å; V535-K542 HydrophobicContact CG1-CG 3.6Å; K542-H544 VanDerWaalsContact CG-O 3.31Å; K542-H544 WeakPolarHBondContact CG-O 2.99Å
543	M	89.5	Confident	90.5	Very high	119 Å²	119	70.5 Å²	70.5	59%	0.586	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	-34.1	177.7	-56.5	-54.4	-70.3	0	0	111.2	V536 Q538 V541	V536-M543 PolarHBondContact O-N 3.22Å; Q538-M543 HydrophobicContact CB-CG 3.91Å; Q538-M543 HydrophobicContact CB-SD 4.13Å; V541-M543 HydrophobicContact CG1-SD 4.13Å; V541-M543 PolarHBondContact O-N 2.72Å
544	H	89.4	Confident	90.6	Very high	95 Å²	95	67 Å²	67	44%	0.44	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.3	177.2	-176.8	-103.7	0	0	0	110.7	D534 V535 V536 K542 G546	D534-H544 PolarHBondContact O-ND1 3.45Å; V535-H544 WeakPolarHBondContact CG1-O 3.38Å; V536-H544 HydrophobicContact CB-CB 3.93Å; V536-H544 HydrophobicContact CG2-CB 4.17Å; V536-H544 PolarHBondContact N-O 3.07Å; V536-H544 PolarHBondContact O-N 3.37Å; K542-H544 VanDerWaalsContact CG-O 3.31Å; K542-H544 WeakPolarHBondContact CG-O 2.99Å; H544-G546 PolarHBondContact CE1-N 3.44Å; H544-G546 PolarHBondContact ND1-N 2.87Å; H544-G546 VanDerWaalsContact ND1-N 3.14Å; H544-G546 PolarHBondContact O-N 3.12Å; H544-G546 VanDerWaalsContact O-N 3.13Å
545	G	88	Confident	90.7	Very high	35 Å²	35	69.1 Å²	69.1	36%	0.361	41%	0.405	S	S	.	.			trans	-58.1	-22.2	-177.7	0	0	0	0	0	115.5	N532	N532-G545 WeakPolarHBondContact CB-O 3.41Å; N532-G545 PolarHBondContact ND2-O 2.99Å
546	G	93.1	Very high	90.8	Very high	13 Å²	13	70.5 Å²	70.5	13%	0.134	41%	0.412	C	S	.	.			trans	73.4	-176.8	-169	0	0	0	0	0	112.5	K533 H544	K533-G546 CarbonylContact O-C 3.56Å; K533-G546 WeakPolarHBondContact O-CA 3.3Å; H544-G546 PolarHBondContact CE1-N 3.44Å; H544-G546 PolarHBondContact ND1-N 2.87Å; H544-G546 VanDerWaalsContact ND1-N 3.14Å; H544-G546 PolarHBondContact O-N 3.12Å; H544-G546 VanDerWaalsContact O-N 3.13Å
547	N	94.8	Very high	91.1	Very high	84 Å²	84	66.4 Å²	66.4	45%	0.449	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.5	179.4	-61.2	-61.3	0	0	0	110.2	N532 K533	N532-N547 CarbonylContact C-O 3.55Å; N532-N547 WeakPolarHBondContact CA-O 3.41Å; K533-N547 PolarHBondContact N-O 3.03Å; K533-N547 PolarHBondContact O-N 3.28Å
548	P	95.9	Very high	91.5	Very high	91 Å²	91	63.8 Å²	63.8	59%	0.591	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	140.8	178.1	27.6	-34	0	0	0	111.4	N532	N532-P548 VanDerWaalsContact OD1-CA 3.27Å; N532-P548 WeakPolarHBondContact OD1-CA 3.06Å
549	L	95.8	Very high	92.1	Very high	31 Å²	31	64.4 Å²	64.4	16%	0.162	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.2	172.2	-71.6	174	0	0	0	110.5	M524 L531 K533 T551 L560	M524-L549 HydrophobicContact CE-CD1 3.31Å; L531-L549 HydrophobicContact CD2-CD1 4.32Å; L531-L549 HydrophobicContact CG-CD1 4.38Å; L531-L549 WeakPolarHBondContact O-CB 3.38Å; L531-L549 PolarHBondContact O-N 3.03Å; K533-L549 HydrophobicContact CB-CD1 4Å; K533-L549 HydrophobicContact CB-CD2 4.46Å; K533-L549 HydrophobicContact CB-CG 4.18Å; K533-L549 HydrophobicContact CD-CD2 3.74Å; K533-L549 HydrophobicContact CD-CG 4.36Å; K533-L549 HydrophobicContact CG-CD1 4.25Å; K533-L549 HydrophobicContact CG-CD2 3.82Å; K533-L549 HydrophobicContact CG-CG 3.91Å; L549-T551 PolarHBondContact O-N 3.09Å; L549-L560 HydrophobicContact CB-CD1 4.02Å; L549-L560 HydrophobicContact CD1-CD1 4.05Å; L549-L560 HydrophobicContact CD1-CD2 4.22Å
550	P	95.3	Very high	92.8	Very high	112 Å²	112	64.1 Å²	64.1	73%	0.727	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-65.3	121.7	175.9	27.4	-33.4	0	0	0	110
551	T	96.1	Very high	93.9	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	34%	0.338	C	S	.	.			trans	-131.7	75.4	-178.8	46.3	0	0	0	0	109.7	A499 C500 L531 L549 T553 D556 V557 L560	A499-T551 WeakPolarHBondContact CB-O 3.48Å; C500-T551 PolarHBondContact SG-OG1 3.19Å; L531-T551 HydrophobicContact CB-CG2 4.25Å; L531-T551 HydrophobicContact CD2-CG2 4.46Å; L549-T551 PolarHBondContact O-N 3.09Å; T551-T553 PolarHBondContact O-N 3.43Å; T551-D556 HydrophobicContact CG2-CB 4.35Å; T551-V557 HydrophobicContact CG2-CG2 3.74Å; T551-L560 HydrophobicContact CG2-CD1 3.73Å
552	A	94.3	Very high	94.7	Very high	85 Å²	85	57.3 Å²	57.3	70%	0.702	32%	0.319	S	S	*	.	S	Bend	trans	-66.3	-27.8	-178.1	0	0	0	0	0	112.7
553	T	97.3	Very high	95.1	Very high	67 Å²	67	54.3 Å²	54.3	41%	0.411	31%	0.306	S	S	.	.	S	Bend	trans	-133.8	159.6	179.7	70.3	0	0	0	0	111.7	A499 T551 K555 D556	A499-T553 VanDerWaalsContact CB-C 3.49Å; T551-T553 PolarHBondContact O-N 3.43Å; T553-K555 PolarHBondContact O-N 2.73Å; T553-K555 PolarHBondContact OG1-N 2.96Å; T553-D556 PolarHBondContact N-OD2 3.26Å; T553-D556 WeakPolarHBondContact O-CB 3.03Å; T553-D556 PolarHBondContact O-N 2.89Å; T553-D556 PolarHBondContact OG1-N 2.77Å; T553-D556 PolarHBondContact OG1-OD2 3.43Å
554	E	97.1	Very high	95.4	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-53.2	-39.1	171.4	-66.8	-174.6	123.7	0	0	110.8	R418 L502 M503 D556 V557 F558 Y565 R571	R418-E554 IonicContact CZ-OE1 3.68Å; R418-E554 IonicContact CZ-OE2 2.84Å; R418-E554 IonicContact NH1-OE1 3.59Å; R418-E554 PolarHBondContact NH1-OE1 3.11Å; R418-E554 IonicContact NH1-OE2 3.65Å; R418-E554 PolarHBondContact NH1-OE2 3.07Å; R418-E554 IonicContact NH2-OE1 2.86Å; R418-E554 IonicContact NH2-OE2 3.78Å; R418-E554 PolarHBondContact NH2-OE2 3.22Å; L502-E554 HydrophobicContact CD2-CG 4.13Å; L502-E554 HydrophobicContact CG-CG 4.38Å; M503-E554 WeakPolarHBondContact CA-OE1 3.29Å; M503-E554 HydrophobicContact CB-CG 4.39Å; E554-D556 PolarHBondContact O-N 3.31Å; E554-V557 WeakPolarHBondContact O-CB 3.39Å; E554-V557 PolarHBondContact O-N 3.31Å; E554-F558 VanDerWaalsContact O-CD2 3.26Å; E554-F558 WeakPolarHBondContact O-CD2 3.48Å; E554-F558 PolarHBondContact O-N 3.44Å; E554-Y565 HydrophobicContact CB-CE2 4.02Å; E554-Y565 PolarHBondContact OE2-OH 3.03Å; E554-R571 IonicContact OE1-CZ 2.73Å; E554-R571 IonicContact OE1-NH1 2.89Å; E554-R571 PolarHBondContact OE1-NH1 2.88Å; E554-R571 IonicContact OE1-NH2 3.63Å; E554-R571 PolarHBondContact OE1-NH2 3.44Å; E554-R571 IonicContact OE2-CZ 2.89Å; E554-R571 IonicContact OE2-NH1 3.64Å; E554-R571 IonicContact OE2-NH2 2.66Å; E554-R571 PolarHBondContact OE2-NH2 3.49Å
555	K	97.6	Very high	95.7	Very high	131 Å²	131	50.4 Å²	50.4	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-58.7	-32.8	-179.5	-70	-179.5	178.9	179.2	0	112.9	T553 V557 F558 R559 Y565	T553-K555 PolarHBondContact O-N 2.73Å; T553-K555 PolarHBondContact OG1-N 2.96Å; K555-V557 VanDerWaalsContact C-N 3.34Å; K555-F558 PolarHBondContact O-N 2.78Å; K555-R559 WeakPolarHBondContact O-CB 3.4Å; K555-R559 PolarHBondContact O-N 2.82Å; K555-Y565 HydrophobicContact CB-CD2 4.27Å; K555-Y565 HydrophobicContact CG-CD1 4.23Å; K555-Y565 HydrophobicContact CG-CD2 3.54Å; K555-Y565 HydrophobicContact CG-CE1 4.45Å; K555-Y565 HydrophobicContact CG-CE2 3.79Å; K555-Y565 HydrophobicContact CG-CG 3.76Å
556	D	97.8	Very high	96	Very high	32 Å²	32	51.3 Å²	51.3	17%	0.171	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-41.2	176.8	-66.6	-59	0	0	0	111.7	T551 T553 E554 F558 R559 L560	T551-D556 HydrophobicContact CG2-CB 4.35Å; T553-D556 PolarHBondContact N-OD2 3.26Å; T553-D556 WeakPolarHBondContact O-CB 3.03Å; T553-D556 PolarHBondContact O-N 2.89Å; T553-D556 PolarHBondContact OG1-N 2.77Å; T553-D556 PolarHBondContact OG1-OD2 3.43Å; E554-D556 PolarHBondContact O-N 3.31Å; D556-F558 PolarHBondContact O-N 3.13Å; D556-R559 PolarHBondContact O-N 3.39Å; D556-R559 IonicContact OD1-CZ 3.88Å; D556-R559 IonicContact OD1-NE 3.55Å; D556-R559 IonicContact OD1-NH2 3.9Å; D556-R559 PolarHBondContact OD1-NH2 3.24Å; D556-L560 WeakPolarHBondContact O-CB 3.47Å; D556-L560 WeakPolarHBondContact O-CG 3.44Å; D556-L560 PolarHBondContact O-N 3.33Å
557	V	97.8	Very high	96.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-47.4	176.5	-178.1	0	0	0	0	110.7	M503 M515 L526 L531 T551 E554 K555 L560 L561	M503-V557 HydrophobicContact CE-CG1 3.76Å; M503-V557 HydrophobicContact SD-CB 4.46Å; M503-V557 HydrophobicContact SD-CG1 3.97Å; M515-V557 HydrophobicContact CE-CG1 4.12Å; L526-V557 HydrophobicContact CD1-CG1 4.04Å; L531-V557 HydrophobicContact CD2-CG1 4.35Å; T551-V557 HydrophobicContact CG2-CG2 3.74Å; E554-V557 WeakPolarHBondContact O-CB 3.39Å; E554-V557 PolarHBondContact O-N 3.31Å; K555-V557 VanDerWaalsContact C-N 3.34Å; V557-L560 PolarHBondContact O-N 3Å; V557-L561 HydrophobicContact CG1-CD1 4.05Å; V557-L561 WeakPolarHBondContact O-CB 3.44Å; V557-L561 VanDerWaalsContact O-CG 3.3Å; V557-L561 WeakPolarHBondContact O-CG 3.27Å; V557-L561 PolarHBondContact O-N 2.93Å
558	F	97.3	Very high	96.3	Very high	1 Å²	1	49 Å²	49	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-43.5	178.2	-74.3	-102.7	0	0	0	112.1	M503 F511 M515 E554 K555 D556 L561 G562 I563 P564 Y565 R566	M503-F558 HydrophobicContact SD-CE2 4.21Å; F511-F558 HydrophobicContact CE1-CZ 4.2Å; F511-F558 AromaticContact CZ-CE1 3.77Å; F511-F558 HydrophobicContact CZ-CE1 3.77Å; F511-F558 AromaticContact CZ-CZ 3.59Å; F511-F558 HydrophobicContact CZ-CZ 3.59Å; M515-F558 HydrophobicContact CE-CD1 4.26Å; M515-F558 HydrophobicContact CE-CD2 4.32Å; M515-F558 HydrophobicContact CE-CE1 4.17Å; M515-F558 HydrophobicContact CE-CE2 4.23Å; M515-F558 HydrophobicContact CE-CG 4.36Å; M515-F558 HydrophobicContact CE-CZ 4.17Å; M515-F558 HydrophobicContact SD-CE1 4.46Å; E554-F558 VanDerWaalsContact O-CD2 3.26Å; E554-F558 WeakPolarHBondContact O-CD2 3.48Å; E554-F558 PolarHBondContact O-N 3.44Å; K555-F558 PolarHBondContact O-N 2.78Å; D556-F558 PolarHBondContact O-N 3.13Å; F558-L561 CarbonylContact O-C 3.59Å; F558-L561 PolarHBondContact O-N 3.38Å; F558-G562 PolarHBondContact O-N 3.2Å; F558-I563 CarbonylContact C-O 3.52Å; F558-I563 HydrophobicContact CB-CG1 4.28Å; F558-I563 HydrophobicContact CD1-CD1 3.62Å; F558-I563 HydrophobicContact CD1-CG1 3.9Å; F558-I563 HydrophobicContact CE1-CD1 4.15Å; F558-I563 HydrophobicContact CG-CD1 4.46Å; F558-I563 HydrophobicContact CG-CG1 4.47Å; F558-I563 PolarHBondContact O-N 2.9Å; F558-I563 VanDerWaalsContact O-N 3.09Å; F558-P564 VanDerWaalsContact CD1-O 3.25Å; F558-P564 WeakPolarHBondContact CD1-O 3.19Å; F558-Y565 AromaticContact CD2-CD2 3.65Å; F558-Y565 HydrophobicContact CD2-CD2 3.65Å; F558-Y565 HydrophobicContact CD2-CE2 4.24Å; F558-Y565 AromaticContact CE2-CD2 3.8Å; F558-Y565 HydrophobicContact CE2-CD2 3.8Å; F558-Y565 HydrophobicContact CE2-CE2 4.02Å; F558-Y565 HydrophobicContact CG-CD2 4.09Å; F558-Y565 HydrophobicContact CZ-CD2 4.34Å; F558-R566 HydrophobicContact CE1-CB 3.9Å; F558-R566 HydrophobicContact CE1-CG 4.15Å; F558-R566 HydrophobicContact CZ-CB 4.21Å
559	R	97.4	Very high	96.3	Very high	155 Å²	155	48.8 Å²	48.8	59%	0.585	26%	0.259	S	S	*	.	H	α-helix	trans	-60.8	-47.1	177.9	179.2	178.7	58.4	80.2	0.9	111.5	K555 D556 L561 G562	K555-R559 WeakPolarHBondContact O-CB 3.4Å; K555-R559 PolarHBondContact O-N 2.82Å; D556-R559 PolarHBondContact O-N 3.39Å; D556-R559 IonicContact OD1-CZ 3.88Å; D556-R559 IonicContact OD1-NE 3.55Å; D556-R559 IonicContact OD1-NH2 3.9Å; D556-R559 PolarHBondContact OD1-NH2 3.24Å; R559-L561 VanDerWaalsContact C-N 3.28Å; R559-L561 PolarHBondContact O-N 2.75Å; R559-G562 PolarHBondContact O-N 3.12Å
560	L	97.6	Very high	96.1	Very high	45 Å²	45	48.9 Å²	48.9	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-31.9	178.8	-69	167.5	0	0	0	112.1	L531 L549 T551 D556 V557 G562	L531-L560 HydrophobicContact CD2-CB 3.7Å; L531-L560 HydrophobicContact CD2-CD1 3.91Å; L531-L560 HydrophobicContact CD2-CG 4.47Å; L549-L560 HydrophobicContact CB-CD1 4.02Å; L549-L560 HydrophobicContact CD1-CD1 4.05Å; L549-L560 HydrophobicContact CD1-CD2 4.22Å; T551-L560 HydrophobicContact CG2-CD1 3.73Å; D556-L560 WeakPolarHBondContact O-CB 3.47Å; D556-L560 WeakPolarHBondContact O-CG 3.44Å; D556-L560 PolarHBondContact O-N 3.33Å; V557-L560 PolarHBondContact O-N 3Å; L560-G562 VanDerWaalsContact C-N 3.3Å
561	L	96.3	Very high	96	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-80	-7.7	172.5	-67.2	176.1	0	0	0	113.6	M515 L518 A519 K522 M524 L526 L531 V557 F558 R559 I563	M515-L561 HydrophobicContact CE-CD1 3.59Å; M515-L561 HydrophobicContact SD-CD1 4.17Å; L518-L561 HydrophobicContact CD2-CB 4.15Å; A519-L561 HydrophobicContact CB-CD2 3.65Å; K522-L561 WeakPolarHBondContact CE-O 3.48Å; K522-L561 PolarHBondContact NZ-O 2.86Å; K522-L561 VanDerWaalsContact NZ-O 3.09Å; M524-L561 HydrophobicContact SD-CD2 3.99Å; L526-L561 HydrophobicContact CD2-CD1 4.42Å; L531-L561 HydrophobicContact CD1-CD2 4.12Å; L531-L561 HydrophobicContact CD2-CG 4.46Å; V557-L561 HydrophobicContact CG1-CD1 4.05Å; V557-L561 WeakPolarHBondContact O-CB 3.44Å; V557-L561 VanDerWaalsContact O-CG 3.3Å; V557-L561 WeakPolarHBondContact O-CG 3.27Å; V557-L561 PolarHBondContact O-N 2.93Å; F558-L561 CarbonylContact O-C 3.59Å; F558-L561 PolarHBondContact O-N 3.38Å; R559-L561 VanDerWaalsContact C-N 3.28Å; R559-L561 PolarHBondContact O-N 2.75Å; L561-I563 HydrophobicContact CB-CG1 4.17Å
562	G	95.3	Very high	95.6	Very high	12 Å²	12	44.5 Å²	44.5	12%	0.124	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	34.6	177.6	0	0	0	0	0	114.1	I234 F558 R559 L560	I234-G562 PolarHBondContact N-O 2.99Å; F558-G562 PolarHBondContact O-N 3.2Å; R559-G562 PolarHBondContact O-N 3.12Å; L560-G562 VanDerWaalsContact C-N 3.3Å
563	I	94.6	Very high	94.9	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.046	20%	0.202	C	C	.	.	S	Bend	trans	-126	153.7	177.3	54.5	163.4	0	0	0	111.3	A241 M515 L518 F558 L561	A241-I563 HydrophobicContact CB-CB 4.37Å; A241-I563 HydrophobicContact CB-CG2 4.01Å; M515-I563 HydrophobicContact CE-CD1 4.11Å; M515-I563 HydrophobicContact SD-CD1 3.48Å; M515-I563 WeakPolarHBondContact SD-CD1 3.48Å; L518-I563 HydrophobicContact CD2-CD1 3.95Å; L518-I563 HydrophobicContact CD2-CG1 4.23Å; L518-I563 HydrophobicContact CD2-CG2 3.56Å; F558-I563 CarbonylContact C-O 3.52Å; F558-I563 HydrophobicContact CB-CG1 4.28Å; F558-I563 HydrophobicContact CD1-CD1 3.62Å; F558-I563 HydrophobicContact CD1-CG1 3.9Å; F558-I563 HydrophobicContact CE1-CD1 4.15Å; F558-I563 HydrophobicContact CG-CD1 4.46Å; F558-I563 HydrophobicContact CG-CG1 4.47Å; F558-I563 PolarHBondContact O-N 2.9Å; F558-I563 VanDerWaalsContact O-N 3.09Å; L561-I563 HydrophobicContact CB-CG1 4.17Å
564	P	94.1	Very high	94.7	Very high	53 Å²	53	40.9 Å²	40.9	34%	0.344	19%	0.191	S	C	.	.			trans	-64.4	140.5	176.9	26.8	-34.9	0	0	0	111.1	F558 R566	F558-P564 VanDerWaalsContact CD1-O 3.25Å; F558-P564 WeakPolarHBondContact CD1-O 3.19Å; P564-R566 PolarHBondContact O-N 2.85Å
565	Y	96.4	Very high	94.6	Very high	79 Å²	79	42.4 Å²	42.4	31%	0.31	20%	0.198	S	C	.	.			trans	-59.7	135.9	174.1	175.9	-105	0	0	0	110.9	E554 K555 F558 P567 R571	E554-Y565 HydrophobicContact CB-CE2 4.02Å; E554-Y565 PolarHBondContact OE2-OH 3.03Å; K555-Y565 HydrophobicContact CB-CD2 4.27Å; K555-Y565 HydrophobicContact CG-CD1 4.23Å; K555-Y565 HydrophobicContact CG-CD2 3.54Å; K555-Y565 HydrophobicContact CG-CE1 4.45Å; K555-Y565 HydrophobicContact CG-CE2 3.79Å; K555-Y565 HydrophobicContact CG-CG 3.76Å; F558-Y565 AromaticContact CD2-CD2 3.65Å; F558-Y565 HydrophobicContact CD2-CD2 3.65Å; F558-Y565 HydrophobicContact CD2-CE2 4.24Å; F558-Y565 AromaticContact CE2-CD2 3.8Å; F558-Y565 HydrophobicContact CE2-CD2 3.8Å; F558-Y565 HydrophobicContact CE2-CE2 4.02Å; F558-Y565 HydrophobicContact CG-CD2 4.09Å; F558-Y565 HydrophobicContact CZ-CD2 4.34Å; Y565-P567 HydrophobicContact CE1-CB 4.34Å; Y565-R571 PolarHBondContact OH-NH2 2.69Å
566	R	95.1	Very high	94.5	Very high	54 Å²	54	37.5 Å²	37.5	20%	0.204	18%	0.178	C	C	.	.			trans	-114.8	123.5	173.7	-65	-66.2	-179.9	-169.9	-2.9	109.9	A241 F558 P564 E570 R571	A241-R566 PolarHBondContact O-NE 3Å; A241-R566 PolarHBondContact O-NH2 3.4Å; F558-R566 HydrophobicContact CE1-CB 3.9Å; F558-R566 HydrophobicContact CE1-CG 4.15Å; F558-R566 HydrophobicContact CZ-CB 4.21Å; P564-R566 PolarHBondContact O-N 2.85Å; R566-E570 HydrophobicContact CB-CB 4.31Å; R566-E570 WeakPolarHBondContact CD-OE2 3.4Å; R566-E570 IonicContact CZ-OE2 2.88Å; R566-E570 IonicContact NE-OE2 2.81Å; R566-E570 IonicContact NH1-OE2 3.4Å; R566-E570 PolarHBondContact NH1-OE2 2.79Å; R566-R571 HydrophobicContact CB-CG 4.32Å; R566-R571 VanDerWaalsContact O-CZ 3.25Å; R566-R571 PolarHBondContact O-NE 2.77Å; R566-R571 PolarHBondContact O-NH2 3.28Å
567	P	96.7	Very high	94.3	Very high	38 Å²	38	37.8 Å²	37.8	25%	0.247	18%	0.178	C	C	.	.			trans	-65	158.7	171.9	30.5	-35.4	0	0	0	110.2	Y565 Q569 E570 R571	Y565-P567 HydrophobicContact CE1-CB 4.34Å; P567-Q569 PolarHBondContact O-N 3.4Å; P567-Q569 VanDerWaalsContact O-N 3.12Å; P567-E570 HydrophobicContact CG-CB 4.21Å; P567-E570 HydrophobicContact CG-CG 3.8Å; P567-E570 PolarHBondContact O-N 3.22Å; P567-R571 WeakPolarHBondContact O-CG 3.08Å
568	P	96.9	Very high	94	Very high	11 Å²	11	40.2 Å²	40.2	7%	0.071	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-51.3	-38.2	-176	-31.6	39	0	0	0	115	R418 R419 T506 E570 R571	R418-P568 HydrophobicContact CG-CB 4.08Å; R418-P568 HydrophobicContact CG-CG 4.07Å; R418-P568 VanDerWaalsContact O-CB 3.26Å; R418-P568 WeakPolarHBondContact O-CB 3.48Å; R419-P568 WeakPolarHBondContact CG-O 3.22Å; T506-P568 HydrophobicContact CG2-CB 3.91Å; T506-P568 HydrophobicContact CG2-CG 4.37Å; P568-E570 PolarHBondContact O-N 3.06Å; P568-R571 WeakPolarHBondContact O-CB 3.35Å; P568-R571 PolarHBondContact O-N 3.03Å
569	Q	95.4	Very high	93.8	Very high	87 Å²	87	42.8 Å²	42.8	41%	0.407	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-66.7	-15.3	-179.8	-60.1	76.3	11	0	0	113.2	R419 P567	R419-Q569 WeakPolarHBondContact O-CA 3.42Å; P567-Q569 PolarHBondContact O-N 3.4Å; P567-Q569 VanDerWaalsContact O-N 3.12Å
570	E	93	Very high	93.6	Very high	33 Å²	33	34.8 Å²	34.8	15%	0.154	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-96.9	3	176.1	-68.7	-175	-155.2	0	0	112.8	S243 S244 Q245 R566 P567 P568	S243-E570 VanDerWaalsContact CB-OE2 3.31Å; S243-E570 WeakPolarHBondContact CB-OE2 3.5Å; S243-E570 VanDerWaalsContact OG-CG 3.28Å; S243-E570 WeakPolarHBondContact OG-CG 3.1Å; S243-E570 PolarHBondContact OG-OE2 3.38Å; S244-E570 WeakPolarHBondContact CB-O 3.32Å; S244-E570 PolarHBondContact N-O 3.18Å; S244-E570 WeakPolarHBondContact OG-CA 3.31Å; S244-E570 PolarHBondContact OG-O 3.41Å; Q245-E570 HydrophobicContact CG-CG 4.02Å; R566-E570 HydrophobicContact CB-CB 4.31Å; R566-E570 WeakPolarHBondContact CD-OE2 3.4Å; R566-E570 IonicContact CZ-OE2 2.88Å; R566-E570 IonicContact NE-OE2 2.81Å; R566-E570 IonicContact NH1-OE2 3.4Å; R566-E570 PolarHBondContact NH1-OE2 2.79Å; P567-E570 HydrophobicContact CG-CB 4.21Å; P567-E570 HydrophobicContact CG-CG 3.8Å; P567-E570 PolarHBondContact O-N 3.22Å; P568-E570 PolarHBondContact O-N 3.06Å
571	R	93.2	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.			trans	-101.3	15.8	-175.5	-51.8	179.8	-165.1	167.1	5.7	114.4	S244 G507 S508 F511 E554 Y565 R566 P567 P568 W573	S244-R571 PolarHBondContact OG-N 3.17Å; G507-R571 WeakPolarHBondContact O-CB 3.47Å; S508-R571 WeakPolarHBondContact CB-O 3.34Å; S508-R571 PolarHBondContact N-O 2.83Å; S508-R571 VanDerWaalsContact N-O 3.16Å; S508-R571 PolarHBondContact OG-O 2.77Å; F511-R571 HydrophobicContact CB-CB 4.35Å; F511-R571 HydrophobicContact CD1-CB 4.2Å; F511-R571 HydrophobicContact CD1-CG 4.31Å; F511-R571 HydrophobicContact CD2-CB 3.82Å; F511-R571 HydrophobicContact CD2-CG 4Å; F511-R571 HydrophobicContact CE1-CG 4.17Å; F511-R571 HydrophobicContact CE2-CB 4.18Å; F511-R571 HydrophobicContact CE2-CG 3.82Å; F511-R571 HydrophobicContact CG-CB 3.85Å; F511-R571 HydrophobicContact CG-CG 4.26Å; F511-R571 HydrophobicContact CZ-CG 3.94Å; E554-R571 IonicContact OE1-CZ 2.73Å; E554-R571 IonicContact OE1-NH1 2.89Å; E554-R571 PolarHBondContact OE1-NH1 2.88Å; E554-R571 IonicContact OE1-NH2 3.63Å; E554-R571 PolarHBondContact OE1-NH2 3.44Å; E554-R571 IonicContact OE2-CZ 2.89Å; E554-R571 IonicContact OE2-NH1 3.64Å; E554-R571 IonicContact OE2-NH2 2.66Å; E554-R571 PolarHBondContact OE2-NH2 3.49Å; Y565-R571 PolarHBondContact OH-NH2 2.69Å; R566-R571 HydrophobicContact CB-CG 4.32Å; R566-R571 VanDerWaalsContact O-CZ 3.25Å; R566-R571 PolarHBondContact O-NE 2.77Å; R566-R571 PolarHBondContact O-NH2 3.28Å; P567-R571 WeakPolarHBondContact O-CG 3.08Å; P568-R571 WeakPolarHBondContact O-CB 3.35Å; P568-R571 PolarHBondContact O-N 3.03Å; R571-W573 PolarHBondContact O-N 2.88Å; R571-W573 VanDerWaalsContact O-N 3.1Å
572	D	87.4	Confident	93	Very high	30 Å²	30	36.8 Å²	36.8	16%	0.16	18%	0.184	C	C	.	.			trans	-83.4	80.5	179.6	-85.4	-40.6	0	0	0	112.7	S244 K247 R419 K421	S244-D572 WeakPolarHBondContact CB-O 3.25Å; S244-D572 PolarHBondContact OG-N 3.17Å; K247-D572 PolarHBondContact NZ-O 3.31Å; R419-D572 WeakPolarHBondContact CD-OD1 3.42Å; R419-D572 IonicContact CZ-OD1 3.52Å; R419-D572 IonicContact NE-OD1 3.74Å; R419-D572 PolarHBondContact NE-OD1 3.48Å; R419-D572 IonicContact NH2-OD1 3.04Å; K421-D572 WeakPolarHBondContact CD-OD2 3.17Å; K421-D572 VanDerWaalsContact CE-OD1 3.31Å; K421-D572 WeakPolarHBondContact CE-OD1 3.25Å; K421-D572 WeakPolarHBondContact CE-OD2 3.35Å; K421-D572 IonicContact NZ-OD1 3.92Å; K421-D572 IonicContact NZ-OD2 3.83Å; K421-D572 PolarHBondContact NZ-OD2 3.14Å
573	W	78	Confident	92.8	Very high	36 Å²	36	39.1 Å²	39.1	14%	0.136	19%	0.189	C	C	.	.			trans	-113.8	0	176.5	-76.9	93.7	0	0	0	114.5	V239 Q242 K247 N283 S508 H510 R571	V239-W573 HydrophobicContact CB-CD2 4.31Å; V239-W573 HydrophobicContact CB-CE3 4.42Å; V239-W573 HydrophobicContact CG1-CB 3.51Å; V239-W573 HydrophobicContact CG1-CD2 3.34Å; V239-W573 HydrophobicContact CG1-CE3 3.77Å; V239-W573 HydrophobicContact CG1-CG 3.22Å; V239-W573 HydrophobicContact CG2-CD2 4.28Å; V239-W573 HydrophobicContact CG2-CE3 3.89Å; V239-W573 HydrophobicContact CG2-CZ3 4.09Å; Q242-W573 HydrophobicContact CB-CZ2 3.86Å; Q242-W573 PolarHBondContact O-NE1 3.3Å; K247-W573 VanDerWaalsContact CE-CE3 3.47Å; K247-W573 VanDerWaalsContact CE-CZ3 3.5Å; N283-W573 PolarHBondContact ND2-OXT 3.46Å; S508-W573 WeakPolarHBondContact CB-O 3.29Å; S508-W573 PolarHBondContact OG-N 3.43Å; S508-W573 PolarHBondContact OG-O 3.41Å; H510-W573 HydrophobicContact CB-CB 4.17Å; H510-W573 VanDerWaalsContact CB-O 3.28Å; H510-W573 WeakPolarHBondContact CB-O 3.02Å; R571-W573 PolarHBondContact O-N 2.88Å; R571-W573 VanDerWaalsContact O-N 3.1Å

Retrieved 573 of 573 residues in 812.9 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).