A0A087XIE9_POEFO Loading...

alpha-1,2-Mannosidase

Involved in the maturation of Asn-linked oligosaccharides. Progressively trim alpha-1,2-linked mannose residues from Man(9)GlcNAc(2) to produce Man(5)GlcNAc(2).

AlphaFold DB , UniProt , Accession A0A087XIE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.4	Very low	32.7	Very low	240 Å²	240	138.5 Å²	138.5	100%	1.182	81%	0.805	S	S	*	*				0	157.2	0	-68.9	-166.3	-139.2	0	0	108.6
2	P	51.6	Low	33.3	Very low	112 Å²	112	136.9 Å²	136.9	73%	0.727	80%	0.803	S	S	*	*			cis	-117.2	143.7	-4.3	39	-24.8	0	0	0	112.6
3	V	32.3	Very low	33.5	Very low	139 Å²	139	135.7 Å²	135.7	84%	0.842	80%	0.802	S	S	*	*				76.7	139.7	96.8	175.9	0	0	0	0	113.1
4	A	32.2	Very low	33.2	Very low	76 Å²	76	135.8 Å²	135.8	63%	0.628	80%	0.797	S	S	*	*			cis	-143.9	153.9	-2.2	0	0	0	0	0	108.4
5	T	30	Very low	33	Very low	130 Å²	130	143.2 Å²	143.2	80%	0.798	81%	0.806	S	S	*	*				75	110.8	53.5	-46.2	0	0	0	0	114.7
6	L	28	Very low	32.8	Very low	168 Å²	168	145.2 Å²	145.2	88%	0.88	80%	0.803	S	S	*	*			trans	-164.2	132.4	134.5	-106.5	170.7	0	0	0	112.1
7	L	27.3	Very low	32.8	Very low	157 Å²	157	143.4 Å²	143.4	82%	0.822	80%	0.803	S	S	*	*			trans	-132.3	175.8	166.8	-79.3	175.1	0	0	0	105.8
8	P	44.1	Very low	32.7	Very low	98 Å²	98	141.4 Å²	141.4	64%	0.636	81%	0.808	S	S	*	*			cis	-126.4	-167.4	-3.3	40.6	-24.8	0	0	0	112.3
9	F	28.7	Very low	32.8	Very low	183 Å²	183	139.6 Å²	139.6	80%	0.803	81%	0.805	S	S	*	*				-167.4	126.3	121	-109.1	-71.4	0	0	0	113.4
10	T	29.9	Very low	33.4	Very low	130 Å²	130	138.2 Å²	138.2	80%	0.798	80%	0.8	S	S	*	*			trans	50	127.9	156.6	42.1	0	0	0	0	123.1
11	A	28.2	Very low	34.3	Very low	90 Å²	90	138 Å²	138	74%	0.744	80%	0.802	S	S	*	*			trans	-138	176.3	159.1	0	0	0	0	0	108.5
12	P	39.6	Very low	35.3	Very low	120 Å²	120	131.6 Å²	131.6	78%	0.779	78%	0.78	S	S	*	*			cis	-106.4	-95.1	-9	19.9	4.1	0	0	0	111.6
13	P	35.9	Very low	35.7	Very low	121 Å²	121	131.7 Å²	131.7	79%	0.786	77%	0.77	S	S	*	*			cis	-110.2	151.8	-3.9	38.2	-25.2	0	0	0	116.2
14	N	29.7	Very low	37.8	Very low	137 Å²	137	134 Å²	134	73%	0.733	76%	0.763	S	S	*	*			trans	-42.9	141.4	165.9	-178.3	-1.8	0	0	0	116.2
15	R	29.6	Very low	39.3	Very low	247 Å²	247	136.5 Å²	136.5	93%	0.932	77%	0.766	S	S	*	*			trans	-127	122.5	168.9	-134	179.6	-166.6	179.7	5	112.3
16	K	30.4	Very low	40.9	Very low	175 Å²	175	135.1 Å²	135.1	76%	0.761	76%	0.757	S	S	*	*			trans	-83.5	156.5	-179.8	-60	177.4	178.1	179.5	0	112.4
17	S	32.9	Very low	43	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	73%	0.732	S	S	*	*			trans	36.6	107.1	146.8	60.3	0	0	0	0	118.6
18	A	31.5	Very low	45.1	Very low	108 Å²	108	127.9 Å²	127.9	89%	0.893	71%	0.713	S	S	*	*			trans	-99.2	114.2	161.4	0	0	0	0	0	110.2
19	S	34.6	Very low	46.5	Very low	108 Å²	108	129.4 Å²	129.4	76%	0.755	71%	0.71	S	S	*	*			trans	-81	153.3	165	55.4	0	0	0	0	110.5
20	P	45	Very low	48.8	Very low	110 Å²	110	125.8 Å²	125.8	71%	0.714	70%	0.698	S	S	*	*	S	Bend	trans	-68.3	161	177.9	29.1	-35.3	0	0	0	112.9
21	T	51.1	Low	50.9	Low	136 Å²	136	123 Å²	123	83%	0.834	68%	0.678	S	S	*	*			trans	52.4	94	163.9	52.3	0	0	0	0	117.7
22	S	49.3	Very low	53.4	Low	104 Å²	104	124.4 Å²	124.4	73%	0.727	67%	0.672	S	S	*	*			trans	-141.7	105	155.2	-178.4	0	0	0	0	110.2
23	F	60	Low	55.4	Low	115 Å²	115	124.6 Å²	124.6	50%	0.504	67%	0.666	S	S	.	*			trans	-57.6	142.2	173.5	-69.6	-76.7	0	0	0	111.5	E27 K28 L31	F23-E27 WeakPolarHBondContact CA-OE2 3.39Å; F23-E27 HydrophobicContact CB-CB 4.03Å; F23-E27 HydrophobicContact CD1-CB 4.09Å; F23-E27 HydrophobicContact CG-CB 4.47Å; F23-K28 HydrophobicContact CB-CG 3.88Å; F23-K28 WeakPolarHBondContact O-CE 3.32Å; F23-K28 PolarHBondContact O-NZ 3.37Å; F23-L31 HydrophobicContact CD2-CD1 4.31Å; F23-L31 HydrophobicContact CE2-CD1 4.36Å; F23-L31 HydrophobicContact CG-CD1 4.44Å
24	R	75.9	Confident	57.5	Low	187 Å²	187	123.1 Å²	123.1	71%	0.706	65%	0.654	S	S	*	*			trans	-63.8	158.2	173.2	-61.9	179.1	169.7	178.4	-2.7	110	T26 E27 K28	R24-T26 VanDerWaalsContact C-N 3.27Å; R24-T26 PolarHBondContact O-N 3.01Å; R24-E27 HydrophobicContact CB-CG 4.38Å; R24-E27 WeakPolarHBondContact CD-OE1 3.38Å; R24-E27 PolarHBondContact N-OE2 3.4Å; R24-E27 WeakPolarHBondContact O-CB 3.44Å; R24-E27 PolarHBondContact O-N 3.14Å; R24-E27 VanDerWaalsContact O-N 3.08Å; R24-K28 PolarHBondContact O-N 3.28Å; R24-K28 VanDerWaalsContact O-N 3.09Å
25	L	62.7	Low	59.7	Low	129 Å²	129	123 Å²	123	68%	0.675	65%	0.648	S	S	*	*	H	α-helix	trans	-57.7	-40.7	-173.5	-159.5	76.5	0	0	0	112.2	K28 F29	L25-K28 WeakPolarHBondContact O-CB 3.4Å; L25-K28 PolarHBondContact O-N 3.03Å; L25-F29 HydrophobicContact CD2-CE2 4.32Å; L25-F29 HydrophobicContact CG-CD2 4.31Å; L25-F29 HydrophobicContact CG-CE2 4.15Å; L25-F29 WeakPolarHBondContact O-CD2 3.11Å; L25-F29 PolarHBondContact O-N 3.41Å; L25-F29 VanDerWaalsContact O-N 3.07Å
26	T	65.6	Low	62	Low	101 Å²	101	114.2 Å²	114.2	62%	0.62	62%	0.624	S	S	*	*	H	α-helix	trans	-62.4	-41.2	176.2	0.3	0	0	0	0	113.1	R24 K28 F29 I30	R24-T26 VanDerWaalsContact C-N 3.27Å; R24-T26 PolarHBondContact O-N 3.01Å; T26-K28 VanDerWaalsContact C-N 3.33Å; T26-K28 PolarHBondContact O-N 3.49Å; T26-F29 PolarHBondContact O-N 3.16Å; T26-I30 WeakPolarHBondContact O-CG1 3.48Å; T26-I30 PolarHBondContact O-N 3.47Å
27	E	70.6	Confident	64.3	Low	75 Å²	75	108.6 Å²	108.6	35%	0.35	61%	0.61	S	S	.	*	H	α-helix	trans	-65.6	-38	177.3	-67.2	150.7	-158.6	0	0	110.9	F23 R24 I30 L31	F23-E27 WeakPolarHBondContact CA-OE2 3.39Å; F23-E27 HydrophobicContact CB-CB 4.03Å; F23-E27 HydrophobicContact CD1-CB 4.09Å; F23-E27 HydrophobicContact CG-CB 4.47Å; R24-E27 HydrophobicContact CB-CG 4.38Å; R24-E27 WeakPolarHBondContact CD-OE1 3.38Å; R24-E27 PolarHBondContact N-OE2 3.4Å; R24-E27 WeakPolarHBondContact O-CB 3.44Å; R24-E27 PolarHBondContact O-N 3.14Å; R24-E27 VanDerWaalsContact O-N 3.08Å; E27-I30 PolarHBondContact O-N 3.41Å; E27-L31 PolarHBondContact O-N 2.84Å
28	K	71.1	Confident	66.1	Low	97 Å²	97	109.2 Å²	109.2	42%	0.422	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-39.7	173.7	-69.4	172.8	173.8	154.9	0	112.3	F23 R24 L25 T26 L32	F23-K28 HydrophobicContact CB-CG 3.88Å; F23-K28 WeakPolarHBondContact O-CE 3.32Å; F23-K28 PolarHBondContact O-NZ 3.37Å; R24-K28 PolarHBondContact O-N 3.28Å; R24-K28 VanDerWaalsContact O-N 3.09Å; L25-K28 WeakPolarHBondContact O-CB 3.4Å; L25-K28 PolarHBondContact O-N 3.03Å; T26-K28 VanDerWaalsContact C-N 3.33Å; T26-K28 PolarHBondContact O-N 3.49Å; K28-L32 WeakPolarHBondContact O-CB 3.45Å; K28-L32 PolarHBondContact O-N 2.99Å
29	F	73.5	Confident	68.3	Low	130 Å²	130	108.5 Å²	108.5	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-65.6	-39.7	173.9	-89	-73	0	0	0	112.9	L25 T26 L32 L33	L25-F29 HydrophobicContact CD2-CE2 4.32Å; L25-F29 HydrophobicContact CG-CD2 4.31Å; L25-F29 HydrophobicContact CG-CE2 4.15Å; L25-F29 WeakPolarHBondContact O-CD2 3.11Å; L25-F29 PolarHBondContact O-N 3.41Å; L25-F29 VanDerWaalsContact O-N 3.07Å; T26-F29 PolarHBondContact O-N 3.16Å; F29-L32 PolarHBondContact O-N 2.96Å; F29-L33 PolarHBondContact O-N 2.85Å
30	I	78.8	Confident	70.1	Confident	107 Å²	107	107.8 Å²	107.8	55%	0.549	57%	0.57	S	S	.	*	H	α-helix	trans	-64.2	-46.7	175.8	-68.3	165.7	0	0	0	110.5	T26 E27 L32 L33 V34	T26-I30 WeakPolarHBondContact O-CG1 3.48Å; T26-I30 PolarHBondContact O-N 3.47Å; E27-I30 PolarHBondContact O-N 3.41Å; I30-L32 VanDerWaalsContact C-N 3.34Å; I30-L32 PolarHBondContact O-N 3.36Å; I30-L33 PolarHBondContact O-N 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å
31	L	73.9	Confident	71.4	Confident	73 Å²	73	108.7 Å²	108.7	38%	0.382	57%	0.568	S	S	.	*	H	α-helix	trans	-58.5	-43.9	175	-79.2	164.1	0	0	0	112.1	F23 E27 L33 V34 F35	F23-L31 HydrophobicContact CD2-CD1 4.31Å; F23-L31 HydrophobicContact CE2-CD1 4.36Å; F23-L31 HydrophobicContact CG-CD1 4.44Å; E27-L31 PolarHBondContact O-N 2.84Å; L31-L33 PolarHBondContact O-N 2.85Å; L31-V34 PolarHBondContact O-N 3.16Å; L31-F35 WeakPolarHBondContact O-CD2 3.5Å; L31-F35 PolarHBondContact O-N 2.87Å
32	L	79.3	Confident	72	Confident	119 Å²	119	104.9 Å²	104.9	62%	0.623	55%	0.547	S	S	*	.	H	α-helix	trans	-65	-39	179.4	-162	156.1	0	0	0	111.8	K28 F29 I30 S36	K28-L32 WeakPolarHBondContact O-CB 3.45Å; K28-L32 PolarHBondContact O-N 2.99Å; F29-L32 PolarHBondContact O-N 2.96Å; I30-L32 VanDerWaalsContact C-N 3.34Å; I30-L32 PolarHBondContact O-N 3.36Å; L32-S36 VanDerWaalsContact O-CB 3.23Å; L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 2.88Å
33	L	81.4	Confident	72.6	Confident	123 Å²	123	106 Å²	106	64%	0.644	54%	0.539	S	S	*	.	H	α-helix	trans	-63.3	-44.2	172.2	-83.8	165.6	0	0	0	112.5	F29 I30 L31 S36 A37	F29-L33 PolarHBondContact O-N 2.85Å; I30-L33 PolarHBondContact O-N 3.26Å; L31-L33 PolarHBondContact O-N 2.85Å; L33-S36 PolarHBondContact O-N 2.77Å; L33-A37 WeakPolarHBondContact O-CB 3.32Å; L33-A37 PolarHBondContact O-N 3.06Å
34	V	81.3	Confident	72.3	Confident	91 Å²	91	102.3 Å²	102.3	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-45.4	178	171.5	0	0	0	0	111.3	I30 L31 A37 F38	I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å; L31-V34 PolarHBondContact O-N 3.16Å; V34-A37 PolarHBondContact O-N 3.42Å; V34-F38 WeakPolarHBondContact O-CB 3.34Å; V34-F38 PolarHBondContact O-N 2.7Å
35	F	76	Confident	71.3	Confident	134 Å²	134	96.2 Å²	96.2	59%	0.588	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-38.9	175.4	-86.1	-71.9	0	0	0	112.4	L31 F38 I39	L31-F35 WeakPolarHBondContact O-CD2 3.5Å; L31-F35 PolarHBondContact O-N 2.87Å; F35-F38 PolarHBondContact O-N 3.43Å; F35-I39 WeakPolarHBondContact O-CB 3.3Å; F35-I39 VanDerWaalsContact O-CG1 3.24Å; F35-I39 WeakPolarHBondContact O-CG1 3.47Å; F35-I39 PolarHBondContact O-N 2.81Å
36	S	78.2	Confident	70.9	Confident	63 Å²	63	95.4 Å²	95.4	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-44.7	175.1	-175.1	0	0	0	0	112.1	L32 L33 I39 T40	L32-S36 VanDerWaalsContact O-CB 3.23Å; L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 2.88Å; L33-S36 PolarHBondContact O-N 2.77Å; S36-I39 PolarHBondContact O-N 3.43Å; S36-T40 PolarHBondContact O-N 3.48Å; S36-T40 PolarHBondContact O-OG1 3.13Å
37	A	77	Confident	70.2	Confident	57 Å²	57	98.7 Å²	98.7	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-40.8	175.1	0	0	0	0	0	112.1	L33 V34 T40 L41	L33-A37 WeakPolarHBondContact O-CB 3.32Å; L33-A37 PolarHBondContact O-N 3.06Å; V34-A37 PolarHBondContact O-N 3.42Å; A37-T40 WeakPolarHBondContact CA-OG1 3.4Å; A37-T40 PolarHBondContact O-N 3.36Å; A37-T40 PolarHBondContact O-OG1 3.35Å; A37-T40 VanDerWaalsContact O-OG1 3.13Å; A37-L41 WeakPolarHBondContact O-CB 3.35Å; A37-L41 PolarHBondContact O-N 3.38Å
38	F	72.1	Confident	69.1	Low	126 Å²	126	104 Å²	104	55%	0.553	55%	0.546	S	S	*	.	H	α-helix	trans	-67.6	-39.7	177.9	-159.6	-94.2	0	0	0	112.2	V34 F35 L41 C42	V34-F38 WeakPolarHBondContact O-CB 3.34Å; V34-F38 PolarHBondContact O-N 2.7Å; F35-F38 PolarHBondContact O-N 3.43Å; F38-L41 PolarHBondContact O-N 2.93Å; F38-C42 VanDerWaalsContact CE1-SG 3.56Å; F38-C42 WeakPolarHBondContact O-CB 3.42Å; F38-C42 PolarHBondContact O-N 3.48Å; F38-C42 PolarHBondContact O-SG 3.42Å
39	I	76.5	Confident	67.9	Low	94 Å²	94	106 Å²	106	48%	0.482	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-45.3	174.8	-71.1	166.1	0	0	0	110.6	F35 S36 L41 C42 F43	F35-I39 WeakPolarHBondContact O-CB 3.3Å; F35-I39 VanDerWaalsContact O-CG1 3.24Å; F35-I39 WeakPolarHBondContact O-CG1 3.47Å; F35-I39 PolarHBondContact O-N 2.81Å; S36-I39 PolarHBondContact O-N 3.43Å; I39-L41 VanDerWaalsContact C-N 3.34Å; I39-L41 PolarHBondContact O-N 2.78Å; I39-C42 PolarHBondContact O-N 3.3Å; I39-F43 HydrophobicContact CG2-CD2 3.88Å; I39-F43 HydrophobicContact CG2-CE2 4.21Å; I39-F43 WeakPolarHBondContact O-CD2 3.21Å; I39-F43 PolarHBondContact O-N 2.89Å
40	T	73.3	Confident	66.3	Low	93 Å²	93	105.3 Å²	105.3	57%	0.571	57%	0.569	S	S	*	*	H	α-helix	trans	-65.8	-34.5	176.5	35.2	0	0	0	0	112.9	S36 A37 G44	S36-T40 PolarHBondContact O-N 3.48Å; S36-T40 PolarHBondContact O-OG1 3.13Å; A37-T40 WeakPolarHBondContact CA-OG1 3.4Å; A37-T40 PolarHBondContact O-N 3.36Å; A37-T40 PolarHBondContact O-OG1 3.35Å; A37-T40 VanDerWaalsContact O-OG1 3.13Å; T40-G44 PolarHBondContact O-N 2.64Å
41	L	71.4	Confident	64.4	Low	128 Å²	128	106.9 Å²	106.9	67%	0.67	58%	0.579	S	S	*	*	H	α-helix	trans	-64	-47.5	172	-162.4	82	0	0	0	111.7	A37 F38 I39 G44 A45	A37-L41 WeakPolarHBondContact O-CB 3.35Å; A37-L41 PolarHBondContact O-N 3.38Å; F38-L41 PolarHBondContact O-N 2.93Å; I39-L41 VanDerWaalsContact C-N 3.34Å; I39-L41 PolarHBondContact O-N 2.78Å; L41-G44 PolarHBondContact O-N 2.93Å; L41-A45 PolarHBondContact O-N 2.89Å
42	C	65.3	Low	62.9	Low	57 Å²	57	108.1 Å²	108.1	39%	0.385	59%	0.594	S	S	.	*	H	α-helix	trans	-66.6	-40.7	-179.3	-68.1	0	0	0	0	112.7	F38 I39	F38-C42 VanDerWaalsContact CE1-SG 3.56Å; F38-C42 WeakPolarHBondContact O-CB 3.42Å; F38-C42 PolarHBondContact O-N 3.48Å; F38-C42 PolarHBondContact O-SG 3.42Å; I39-C42 PolarHBondContact O-N 3.3Å
43	F	61.9	Low	60.9	Low	127 Å²	127	106.4 Å²	106.4	56%	0.557	59%	0.592	S	S	*	*	H	α-helix	trans	-74.5	-32.1	175.4	-86.7	-91.1	0	0	0	112.8	I39 A45 I46	I39-F43 HydrophobicContact CG2-CD2 3.88Å; I39-F43 HydrophobicContact CG2-CE2 4.21Å; I39-F43 WeakPolarHBondContact O-CD2 3.21Å; I39-F43 PolarHBondContact O-N 2.89Å; F43-A45 VanDerWaalsContact C-N 3.28Å; F43-A45 PolarHBondContact O-N 2.78Å; F43-I46 HydrophobicContact CD1-CD1 4.24Å; F43-I46 WeakPolarHBondContact O-CB 3.16Å; F43-I46 PolarHBondContact O-N 2.91Å; F43-I46 VanDerWaalsContact O-N 3.14Å
44	G	52.2	Low	58.8	Low	38 Å²	38	109.2 Å²	109.2	39%	0.392	60%	0.599	S	S	.	*	H	α-helix	trans	-60.5	-37.5	173.4	0	0	0	0	0	112.7	T40 L41 I46 F47	T40-G44 PolarHBondContact O-N 2.64Å; L41-G44 PolarHBondContact O-N 2.93Å; G44-I46 VanDerWaalsContact C-N 3.27Å; G44-I46 PolarHBondContact O-N 3.48Å; G44-F47 PolarHBondContact O-N 2.93Å
45	A	55.1	Low	56.8	Low	59 Å²	59	112.1 Å²	112.1	49%	0.488	61%	0.61	S	S	.	*	H	α-helix	trans	-65.3	-25.6	175.5	0	0	0	0	0	113.9	L41 F43	L41-A45 PolarHBondContact O-N 2.89Å; F43-A45 VanDerWaalsContact C-N 3.28Å; F43-A45 PolarHBondContact O-N 2.78Å
46	I	55.1	Low	54.9	Low	111 Å²	111	114 Å²	114	57%	0.569	63%	0.626	S	S	*	*	H	α-helix	trans	-73.5	-29.2	-179.9	-65	171.6	0	0	0	111.6	F43 G44	F43-I46 HydrophobicContact CD1-CD1 4.24Å; F43-I46 WeakPolarHBondContact O-CB 3.16Å; F43-I46 PolarHBondContact O-N 2.91Å; F43-I46 VanDerWaalsContact O-N 3.14Å; G44-I46 VanDerWaalsContact C-N 3.27Å; G44-I46 PolarHBondContact O-N 3.48Å
47	F	50.6	Low	52.7	Low	170 Å²	170	116.3 Å²	116.3	75%	0.746	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-0.9	-178.1	-79.3	-83.7	0	0	0	115	G44	G44-F47 PolarHBondContact O-N 2.93Å
48	F	47.8	Very low	50.7	Low	187 Å²	187	116.7 Å²	116.7	82%	0.82	65%	0.651	S	S	*	*	S	Bend	trans	-120	13.7	-177.9	-94.2	-81.9	0	0	0	114.8
49	L	44.7	Very low	48.7	Very low	138 Å²	138	117.1 Å²	117.1	72%	0.723	66%	0.664	S	S	*	*	S	Bend	trans	-95.4	130	169	-69.4	171.6	0	0	0	110.4
50	P	40.7	Very low	46.5	Very low	116 Å²	116	121.7 Å²	121.7	75%	0.753	68%	0.681	S	S	*	*			trans	-72.7	151.1	179.2	29.9	-34.8	0	0	0	112.6	S52	P50-S52 PolarHBondContact O-N 3.29Å; P50-S52 VanDerWaalsContact O-N 3.12Å
51	D	38.8	Very low	44.4	Very low	141 Å²	141	126.7 Å²	126.7	75%	0.754	70%	0.695	S	S	*	*			trans	-46	108.3	-175.5	-108.9	-63.6	0	0	0	114.8	S53	D51-S53 PolarHBondContact O-N 3.21Å; D51-S53 PolarHBondContact OD1-OG 2.98Å
52	S	42.1	Very low	42.3	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-78.4	-4.9	174.3	56.6	0	0	0	0	113.7	P50 K54 L55	P50-S52 PolarHBondContact O-N 3.29Å; P50-S52 VanDerWaalsContact O-N 3.12Å; S52-K54 PolarHBondContact O-N 2.73Å; S52-L55 PolarHBondContact O-N 3.5Å
53	S	37.1	Very low	40.6	Very low	83 Å²	83	135.3 Å²	135.3	58%	0.58	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-65.4	-6.5	-173.5	55.4	0	0	0	0	115.7	D51	D51-S53 PolarHBondContact O-N 3.21Å; D51-S53 PolarHBondContact OD1-OG 2.98Å
54	K	37.3	Very low	39.2	Very low	183 Å²	183	135.3 Å²	135.3	80%	0.796	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-110.1	2.2	-179	-69.5	-178.1	178.8	173.6	0	115.5	S52	S52-K54 PolarHBondContact O-N 2.73Å
55	L	39.6	Very low	38	Very low	151 Å²	151	138.2 Å²	138.2	79%	0.791	76%	0.761	S	S	*	*	S	Bend	trans	-98.9	-4	-174.6	-109.9	160.4	0	0	0	115.2	S52	S52-L55 PolarHBondContact O-N 3.5Å
56	L	35.4	Very low	36.9	Very low	174 Å²	174	141.9 Å²	141.9	91%	0.911	78%	0.778	S	S	*	*	S	Bend	trans	-110.6	2.7	-174.5	-81.8	165.9	0	0	0	115.5
57	S	32.3	Very low	35.5	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	79%	0.792	S	S	*	*	S	Bend	trans	-111.4	11.4	-176.8	64.2	0	0	0	0	114.7
58	G	34.7	Very low	34.4	Very low	66 Å²	66	142.5 Å²	142.5	68%	0.68	79%	0.788	S	S	*	*	S	Bend	trans	-116.9	-7.7	-166.5	0	0	0	0	0	117.6
59	V	31.8	Very low	33.5	Very low	135 Å²	135	141 Å²	141	82%	0.818	79%	0.788	S	S	*	*			trans	-129.8	53.8	-169.6	-160.6	0	0	0	0	112.6
60	F	29.1	Very low	32.7	Very low	190 Å²	190	140.2 Å²	140.2	83%	0.833	79%	0.79	S	S	*	*	S	Bend	trans	-134.6	140.5	156	-90.3	-85.5	0	0	0	108.9
61	F	30.1	Very low	32.1	Very low	197 Å²	197	145.5 Å²	145.5	86%	0.864	80%	0.795	S	S	*	*			trans	61.5	97.2	-176.9	-59.1	-82.5	0	0	0	117.5
62	R	26.8	Very low	31.7	Very low	248 Å²	248	145 Å²	145	94%	0.936	80%	0.797	S	S	*	*				-170.6	127	120.8	-103.6	165	-168.1	-135.1	1.2	111.9
63	S	30.5	Very low	30.9	Very low	118 Å²	118	144 Å²	144	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-80.8	136.9	162.8	-52.7	0	0	0	0	109.6
64	P	31.9	Very low	31.1	Very low	127 Å²	127	145.5 Å²	145.5	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.2	119.7	168.5	31.6	-29.7	0	0	0	110.3
65	A	27.6	Very low	30.6	Very low	99 Å²	99	145.4 Å²	145.4	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-76.5	155.5	158.2	0	0	0	0	0	109.6
66	V	30.6	Very low	30.1	Very low	136 Å²	136	144.3 Å²	144.3	82%	0.824	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.2	131.8	177.3	172.5	0	0	0	0	109.8
67	E	26.3	Very low	29.8	Very low	186 Å²	186	142 Å²	142	87%	0.869	82%	0.815	S	S	*	*			trans	-158.9	167.1	133	-120	173.5	-164.6	0	0	114.6
68	T	28.3	Very low	29.7	Very low	109 Å²	109	146.7 Å²	146.7	67%	0.669	82%	0.817	S	S	*	*			trans	-85.6	155.3	-159.8	52.8	0	0	0	0	114.2
69	N	28	Very low	29.5	Very low	154 Å²	154	149.3 Å²	149.3	82%	0.824	83%	0.825	S	S	*	*				-166.3	167.5	112.5	-107.9	-68	0	0	0	114.4
70	T	28.3	Very low	29.7	Very low	122 Å²	122	146.5 Å²	146.5	75%	0.748	82%	0.823	S	S	*	*			trans	-100.9	150.4	-164.2	57.7	0	0	0	0	114.8
71	R	28.5	Very low	30.3	Very low	228 Å²	228	141.6 Å²	141.6	86%	0.86	81%	0.812	S	S	*	*				-175	134.6	127.9	-106.8	169.4	176.9	164.7	0.1	115.2
72	T	29.4	Very low	30.7	Very low	131 Å²	131	135.1 Å²	135.1	80%	0.804	80%	0.796	S	S	*	*			trans	44.4	123.5	148.4	53.1	0	0	0	0	121.5
73	G	25.1	Very low	31.5	Very low	75 Å²	75	126 Å²	126	77%	0.773	78%	0.779	S	S	*	*			trans	-85.7	-148.8	163.2	0	0	0	0	0	113.6
74	P	42.1	Very low	32.3	Very low	115 Å²	115	123.2 Å²	123.2	75%	0.747	76%	0.759	S	S	*	*			cis	-132.9	176.7	29.9	42.9	-27.4	0	0	0	117.4
75	E	26.6	Very low	33.3	Very low	182 Å²	182	121.4 Å²	121.4	85%	0.85	74%	0.743	S	S	*	*			trans	57.3	109.4	148.6	-76.1	167.7	-144.7	0	0	122.9
76	S	29.3	Very low	34.9	Very low	128 Å²	128	121.3 Å²	121.3	90%	0.895	73%	0.732	S	S	*	*				-159.8	163.4	113.1	34.6	0	0	0	0	110.2
77	S	29.8	Very low	36.3	Very low	124 Å²	124	124.6 Å²	124.6	87%	0.867	73%	0.729	S	S	*	*			trans	-97.7	148.5	-157	45.6	0	0	0	0	116.6
78	Y	29.4	Very low	37.9	Very low	211 Å²	211	119.7 Å²	119.7	83%	0.827	71%	0.711	S	S	*	*			trans	-71.8	153.9	175	-99.8	-101.6	0	0	0	114
79	S	30	Very low	39.5	Very low	121 Å²	121	120 Å²	120	85%	0.846	71%	0.709	S	S	*	*				-159.8	146.5	120.4	55.8	0	0	0	0	112.3
80	G	36.1	Very low	41.7	Very low	76 Å²	76	115.6 Å²	115.6	78%	0.784	69%	0.693	S	S	*	*	S	Bend	trans	101.6	41.2	150	0	0	0	0	0	122.4
81	S	41.2	Very low	43.7	Very low	86 Å²	86	116.3 Å²	116.3	60%	0.601	69%	0.686	S	S	*	*			trans	-158	-18.1	156.5	-154.8	0	0	0	0	118.1	G83 S84	S81-G83 PolarHBondContact O-N 2.77Å; S81-S84 PolarHBondContact O-OG 3.33Å
82	A	40.1	Very low	45.6	Very low	62 Å²	62	110.3 Å²	110.3	51%	0.512	67%	0.67	S	S	.	*	H	α-helix	trans	-65.2	3.1	-165.4	0	0	0	0	0	117.9	V86	A82-V86 WeakPolarHBondContact O-CG2 3.48Å
83	G	43.5	Very low	47.6	Very low	57 Å²	57	110.4 Å²	110.4	59%	0.588	66%	0.659	S	S	*	*	H	α-helix	trans	-87.8	-27.8	-176.6	0	0	0	0	0	115.6	S81	S81-G83 PolarHBondContact O-N 2.77Å
84	S	46.7	Very low	50.4	Low	58 Å²	58	113.1 Å²	113.1	41%	0.406	65%	0.65	S	S	.	*	H	α-helix	trans	-73.9	-52.7	177.8	43.7	0	0	0	0	111.2	S81 V86 R87 V88	S81-S84 PolarHBondContact O-OG 3.33Å; S84-V86 VanDerWaalsContact C-N 3.33Å; S84-V86 PolarHBondContact O-N 3.04Å; S84-R87 WeakPolarHBondContact O-CB 3.34Å; S84-R87 PolarHBondContact O-N 3.39Å; S84-V88 PolarHBondContact O-N 3.31Å
85	D	52.4	Low	51.8	Low	90 Å²	90	111.2 Å²	111.2	48%	0.481	63%	0.633	S	S	.	*	H	α-helix	trans	-73.5	-31.2	-160.3	-53.8	-6.9	0	0	0	111.2	R87 V88 L89	D85-R87 VanDerWaalsContact C-N 3.33Å; D85-R87 PolarHBondContact O-N 2.75Å; D85-V88 PolarHBondContact O-N 3.23Å; D85-L89 VanDerWaalsContact O-CB 3.32Å; D85-L89 WeakPolarHBondContact O-CB 3.34Å; D85-L89 WeakPolarHBondContact O-CG 3.38Å; D85-L89 PolarHBondContact O-N 2.9Å
86	V	61.7	Low	53.9	Low	97 Å²	97	108.1 Å²	108.1	59%	0.588	62%	0.618	S	S	*	*	H	α-helix	trans	-64.5	-36.5	172.2	178.8	0	0	0	0	111.5	A82 S84 A90	A82-V86 WeakPolarHBondContact O-CG2 3.48Å; S84-V86 VanDerWaalsContact C-N 3.33Å; S84-V86 PolarHBondContact O-N 3.04Å; V86-A90 WeakPolarHBondContact O-CB 3.23Å; V86-A90 PolarHBondContact O-N 3.41Å
87	R	60.5	Low	56.1	Low	205 Å²	205	106.3 Å²	106.3	77%	0.774	60%	0.596	S	S	*	*	H	α-helix	trans	-71.6	-39	174	-74.5	-175.3	170.8	-168.9	-1.6	111.9	S84 D85 A90 K91	S84-R87 WeakPolarHBondContact O-CB 3.34Å; S84-R87 PolarHBondContact O-N 3.39Å; D85-R87 VanDerWaalsContact C-N 3.33Å; D85-R87 PolarHBondContact O-N 2.75Å; R87-A90 PolarHBondContact O-N 3.22Å; R87-K91 WeakPolarHBondContact O-CB 3.19Å; R87-K91 PolarHBondContact O-N 3.28Å
88	V	59.6	Low	58.2	Low	82 Å²	82	104.3 Å²	104.3	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-47.8	176.3	174.3	0	0	0	0	110.7	S84 D85 A90 K91 I92	S84-V88 PolarHBondContact O-N 3.31Å; D85-V88 PolarHBondContact O-N 3.23Å; V88-A90 PolarHBondContact O-N 3.48Å; V88-K91 PolarHBondContact O-N 3.34Å; V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.41Å; V88-I92 VanDerWaalsContact O-CG1 3.31Å; V88-I92 WeakPolarHBondContact O-CG1 3.49Å; V88-I92 PolarHBondContact O-N 3.24Å
89	L	62.3	Low	59.9	Low	117 Å²	117	96.6 Å²	96.6	61%	0.613	56%	0.556	S	S	*	*	H	α-helix	trans	-62.1	-41.1	175.5	-76.4	164.3	0	0	0	112.4	D85 K91 I92 K93	D85-L89 VanDerWaalsContact O-CB 3.32Å; D85-L89 WeakPolarHBondContact O-CB 3.34Å; D85-L89 WeakPolarHBondContact O-CG 3.38Å; D85-L89 PolarHBondContact O-N 2.9Å; L89-K91 VanDerWaalsContact C-N 3.35Å; L89-I92 PolarHBondContact O-N 3.16Å; L89-K93 WeakPolarHBondContact O-CB 3.19Å; L89-K93 PolarHBondContact O-N 3.36Å
90	A	73.9	Confident	61.5	Low	60 Å²	60	95.6 Å²	95.6	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-39.1	175.1	0	0	0	0	0	112.3	V86 R87 V88 K94	V86-A90 WeakPolarHBondContact O-CB 3.23Å; V86-A90 PolarHBondContact O-N 3.41Å; R87-A90 PolarHBondContact O-N 3.22Å; V88-A90 PolarHBondContact O-N 3.48Å; A90-K94 WeakPolarHBondContact O-CB 3.31Å; A90-K94 PolarHBondContact O-N 2.86Å; A90-K94 VanDerWaalsContact O-N 3.1Å
91	K	69.4	Low	63.1	Low	138 Å²	138	97.1 Å²	97.1	60%	0.6	53%	0.53	S	S	*	.	H	α-helix	trans	-65.7	-52.5	173.7	-179.8	173.9	176.7	-173.7	0	111.2	R87 V88 L89 K93 K94 D95	R87-K91 WeakPolarHBondContact O-CB 3.19Å; R87-K91 PolarHBondContact O-N 3.28Å; V88-K91 PolarHBondContact O-N 3.34Å; L89-K91 VanDerWaalsContact C-N 3.35Å; K91-K93 PolarHBondContact O-N 3.05Å; K91-K94 PolarHBondContact O-N 3Å; K91-K94 VanDerWaalsContact O-N 3.08Å; K91-D95 WeakPolarHBondContact CE-OD2 3.39Å; K91-D95 VanDerWaalsContact CG-OD2 3.23Å; K91-D95 WeakPolarHBondContact CG-OD2 3.36Å; K91-D95 WeakPolarHBondContact O-CB 3.43Å; K91-D95 VanDerWaalsContact O-CG 3.27Å; K91-D95 PolarHBondContact O-N 2.72Å
92	I	69	Low	64.4	Low	101 Å²	101	99.8 Å²	99.8	52%	0.518	53%	0.533	S	S	.	.	H	α-helix	trans	-54.7	-42.5	178.3	-69.4	167.4	0	0	0	110.9	V88 L89 D95 H96	V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.41Å; V88-I92 VanDerWaalsContact O-CG1 3.31Å; V88-I92 WeakPolarHBondContact O-CG1 3.49Å; V88-I92 PolarHBondContact O-N 3.24Å; L89-I92 PolarHBondContact O-N 3.16Å; I92-D95 PolarHBondContact O-N 2.96Å; I92-H96 VanDerWaalsContact O-CB 3.29Å; I92-H96 WeakPolarHBondContact O-CB 3.48Å; I92-H96 PolarHBondContact O-N 3.4Å
93	K	71.2	Confident	65.3	Low	133 Å²	133	99 Å²	99	58%	0.578	53%	0.527	S	S	*	.	H	α-helix	trans	-64.3	-45.4	177.7	-168.2	-178.2	-176.6	-142.6	0	112.1	L89 K91 H96 E97	L89-K93 WeakPolarHBondContact O-CB 3.19Å; L89-K93 PolarHBondContact O-N 3.36Å; K91-K93 PolarHBondContact O-N 3.05Å; K93-H96 PolarHBondContact O-N 2.75Å; K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 IonicContact NZ-OE1 2.75Å; K93-E97 PolarHBondContact NZ-OE1 3.14Å; K93-E97 VanDerWaalsContact NZ-OE1 3.16Å; K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CG 3.37Å; K93-E97 PolarHBondContact O-N 2.85Å
94	K	83.7	Confident	66	Low	132 Å²	132	102.1 Å²	102.1	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-63.3	-43.4	176.9	-176.2	179.9	178.5	-177	0	112	A90 K91 H96 E97 N98	A90-K94 WeakPolarHBondContact O-CB 3.31Å; A90-K94 PolarHBondContact O-N 2.86Å; A90-K94 VanDerWaalsContact O-N 3.1Å; K91-K94 PolarHBondContact O-N 3Å; K91-K94 VanDerWaalsContact O-N 3.08Å; K94-H96 VanDerWaalsContact C-N 3.29Å; K94-H96 PolarHBondContact O-N 3.26Å; K94-E97 PolarHBondContact O-N 2.78Å; K94-N98 WeakPolarHBondContact O-CB 3.49Å; K94-N98 VanDerWaalsContact O-CG 3.27Å; K94-N98 PolarHBondContact O-N 3.03Å
95	D	70.3	Confident	66.6	Low	76 Å²	76	105 Å²	105	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-67.6	-33.2	-179.8	-63.8	-13.8	0	0	0	110.7	K91 I92 A99	K91-D95 WeakPolarHBondContact CE-OD2 3.39Å; K91-D95 VanDerWaalsContact CG-OD2 3.23Å; K91-D95 WeakPolarHBondContact CG-OD2 3.36Å; K91-D95 WeakPolarHBondContact O-CB 3.43Å; K91-D95 VanDerWaalsContact O-CG 3.27Å; K91-D95 PolarHBondContact O-N 2.72Å; I92-D95 PolarHBondContact O-N 2.96Å; D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.42Å
96	H	71.6	Confident	66.8	Low	116 Å²	116	105 Å²	105	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-71.4	-40.8	171.3	-171.2	66.5	0	0	0	113.3	I92 K93 K94 N98 A99 L100	I92-H96 VanDerWaalsContact O-CB 3.29Å; I92-H96 WeakPolarHBondContact O-CB 3.48Å; I92-H96 PolarHBondContact O-N 3.4Å; K93-H96 PolarHBondContact O-N 2.75Å; K94-H96 VanDerWaalsContact C-N 3.29Å; K94-H96 PolarHBondContact O-N 3.26Å; H96-N98 VanDerWaalsContact C-N 3.33Å; H96-A99 PolarHBondContact O-N 3.49Å; H96-L100 WeakPolarHBondContact O-CB 3.1Å; H96-L100 WeakPolarHBondContact O-CG 3.4Å; H96-L100 PolarHBondContact O-N 2.85Å
97	E	74.9	Confident	66.3	Low	91 Å²	91	107.5 Å²	107.5	43%	0.425	55%	0.547	S	S	.	.	H	α-helix	trans	-63.4	-38.2	173.7	-75.5	171.1	179.9	0	0	111.3	K93 K94 L100 L101	K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 IonicContact NZ-OE1 2.75Å; K93-E97 PolarHBondContact NZ-OE1 3.14Å; K93-E97 VanDerWaalsContact NZ-OE1 3.16Å; K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CG 3.37Å; K93-E97 PolarHBondContact O-N 2.85Å; K94-E97 PolarHBondContact O-N 2.78Å; E97-L100 PolarHBondContact O-N 3.17Å; E97-L101 WeakPolarHBondContact O-CG 3.48Å; E97-L101 PolarHBondContact O-N 3.02Å
98	N	74.3	Confident	66.2	Low	82 Å²	82	103.9 Å²	103.9	44%	0.439	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-48.4	171.2	-72.6	-17.1	0	0	0	112.1	K94 H96 L100 L101 E102	K94-N98 WeakPolarHBondContact O-CB 3.49Å; K94-N98 VanDerWaalsContact O-CG 3.27Å; K94-N98 PolarHBondContact O-N 3.03Å; H96-N98 VanDerWaalsContact C-N 3.33Å; N98-L100 VanDerWaalsContact C-N 3.27Å; N98-L100 PolarHBondContact O-N 3.27Å; N98-L101 WeakPolarHBondContact O-CB 3.46Å; N98-L101 PolarHBondContact O-N 2.96Å; N98-E102 PolarHBondContact O-N 3.41Å
99	A	65.5	Low	66.4	Low	49 Å²	49	104.2 Å²	104.2	41%	0.405	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-33	178.5	0	0	0	0	0	112.6	D95 H96 A103	D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.42Å; H96-A99 PolarHBondContact O-N 3.49Å; A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.2Å
100	L	64.1	Low	66.8	Low	99 Å²	99	106.4 Å²	106.4	52%	0.518	53%	0.534	S	S	.	.	H	α-helix	trans	-69.7	-33.7	172.2	-75.4	170.3	0	0	0	112.6	H96 E97 N98 K104	H96-L100 WeakPolarHBondContact O-CB 3.1Å; H96-L100 WeakPolarHBondContact O-CG 3.4Å; H96-L100 PolarHBondContact O-N 2.85Å; E97-L100 PolarHBondContact O-N 3.17Å; N98-L100 VanDerWaalsContact C-N 3.27Å; N98-L100 PolarHBondContact O-N 3.27Å; L100-K104 WeakPolarHBondContact O-CB 3.24Å; L100-K104 PolarHBondContact O-N 3.04Å
101	L	70.2	Confident	66.4	Low	109 Å²	109	108.3 Å²	108.3	57%	0.571	54%	0.541	S	S	*	.	H	α-helix	trans	-69.4	-45.2	172.5	-75.5	164.5	0	0	0	111.5	E97 N98 K104 D105	E97-L101 WeakPolarHBondContact O-CG 3.48Å; E97-L101 PolarHBondContact O-N 3.02Å; N98-L101 WeakPolarHBondContact O-CB 3.46Å; N98-L101 PolarHBondContact O-N 2.96Å; L101-K104 WeakPolarHBondContact O-CB 3.49Å; L101-K104 PolarHBondContact O-N 2.86Å; L101-K104 VanDerWaalsContact O-N 3.17Å; L101-D105 WeakPolarHBondContact O-CB 3.48Å; L101-D105 PolarHBondContact O-N 2.98Å
102	E	68.2	Low	66.4	Low	141 Å²	141	108.6 Å²	108.6	66%	0.659	55%	0.545	S	S	*	.	H	α-helix	trans	-64.9	-41.2	178	-171.9	174.2	-154.6	0	0	112	N98 K104 D105 T106	N98-E102 PolarHBondContact O-N 3.41Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 3.16Å; E102-D105 PolarHBondContact O-N 2.63Å; E102-T106 WeakPolarHBondContact O-CB 3.4Å; E102-T106 PolarHBondContact O-N 3.43Å; E102-T106 PolarHBondContact O-OG1 3.12Å
103	A	58.7	Low	66.4	Low	47 Å²	47	108 Å²	108	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-64.6	-36.6	171.6	0	0	0	0	0	112.3	A99 L107	A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.2Å; A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 WeakPolarHBondContact O-CD1 3.23Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.49Å; A103-L107 PolarHBondContact O-N 3.39Å
104	K	57.5	Low	66.2	Low	121 Å²	121	105.3 Å²	105.3	53%	0.526	53%	0.531	S	S	.	.	H	α-helix	trans	-68.9	-40.9	176.1	-177.9	-177.9	175.6	-171.9	0	111.9	L100 L101 E102 L107 Q108	L100-K104 WeakPolarHBondContact O-CB 3.24Å; L100-K104 PolarHBondContact O-N 3.04Å; L101-K104 WeakPolarHBondContact O-CB 3.49Å; L101-K104 PolarHBondContact O-N 2.86Å; L101-K104 VanDerWaalsContact O-N 3.17Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 3.16Å; K104-L107 CarbonylContact O-C 3.46Å; K104-L107 WeakPolarHBondContact O-CA 3.25Å; K104-L107 PolarHBondContact O-N 2.98Å; K104-L107 VanDerWaalsContact O-N 3.14Å; K104-Q108 WeakPolarHBondContact O-CG 3.45Å; K104-Q108 PolarHBondContact O-N 2.82Å
105	D	60.2	Low	65.3	Low	119 Å²	119	105.7 Å²	105.7	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-65.2	-42.4	176.4	-155.9	52	0	0	0	110.8	L101 E102 L107 Q108 K109	L101-D105 WeakPolarHBondContact O-CB 3.48Å; L101-D105 PolarHBondContact O-N 2.98Å; E102-D105 PolarHBondContact O-N 2.63Å; D105-L107 PolarHBondContact O-N 3.42Å; D105-Q108 PolarHBondContact O-N 3.46Å; D105-K109 PolarHBondContact O-N 3.4Å
106	T	55.9	Low	65.4	Low	90 Å²	90	109.7 Å²	109.7	55%	0.552	54%	0.544	S	S	*	.	H	α-helix	trans	-57.4	-35.5	170.6	-56.2	0	0	0	0	112.5	E102	E102-T106 WeakPolarHBondContact O-CB 3.4Å; E102-T106 PolarHBondContact O-N 3.43Å; E102-T106 PolarHBondContact O-OG1 3.12Å
107	L	51.1	Low	65.3	Low	149 Å²	149	106.1 Å²	106.1	78%	0.78	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.9	175	-71.9	167.8	0	0	0	114.1	A103 K104 D105	A103-L107 WeakPolarHBondContact O-CB 3.34Å; A103-L107 WeakPolarHBondContact O-CD1 3.23Å; A103-L107 VanDerWaalsContact O-CG 3.25Å; A103-L107 WeakPolarHBondContact O-CG 3.49Å; A103-L107 PolarHBondContact O-N 3.39Å; K104-L107 CarbonylContact O-C 3.46Å; K104-L107 WeakPolarHBondContact O-CA 3.25Å; K104-L107 PolarHBondContact O-N 2.98Å; K104-L107 VanDerWaalsContact O-N 3.14Å; D105-L107 PolarHBondContact O-N 3.42Å
108	Q	57.7	Low	65.2	Low	130 Å²	130	105.9 Å²	105.9	61%	0.607	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	3.6	175.5	-74.5	-165.7	-87.7	0	0	113.9	K104 D105 R110	K104-Q108 WeakPolarHBondContact O-CG 3.45Å; K104-Q108 PolarHBondContact O-N 2.82Å; D105-Q108 PolarHBondContact O-N 3.46Å; Q108-R110 PolarHBondContact O-N 3.04Å
109	K	64.8	Low	64.9	Low	89 Å²	89	104.6 Å²	104.6	39%	0.387	53%	0.527	S	S	.	.			trans	-48.8	135	164.5	-78.2	-171.4	169	-173.3	0	111.1	D105 E113 I114 D117	D105-K109 PolarHBondContact O-N 3.4Å; K109-E113 WeakPolarHBondContact CA-OE2 3.43Å; K109-I114 HydrophobicContact CB-CD1 4.11Å; K109-I114 HydrophobicContact CB-CG1 3.81Å; K109-D117 IonicContact NZ-OD2 3.28Å; K109-D117 PolarHBondContact NZ-OD2 3.12Å
110	R	70.4	Confident	65.4	Low	163 Å²	163	107 Å²	107	62%	0.615	53%	0.529	S	S	*	.			trans	-68.8	151.1	-179.9	-59.2	-176.1	-174.3	-168.9	3.7	110.2	Q108 E112 E113 I114	Q108-R110 PolarHBondContact O-N 3.04Å; R110-E112 PolarHBondContact O-N 3.35Å; R110-E113 HydrophobicContact CB-CG 4.24Å; R110-E113 PolarHBondContact N-OE2 3.12Å; R110-E113 WeakPolarHBondContact O-CB 3.48Å; R110-E113 PolarHBondContact O-N 2.72Å; R110-I114 WeakPolarHBondContact O-CG1 3.17Å; R110-I114 PolarHBondContact O-N 2.88Å
111	P	65.8	Low	65.5	Low	99 Å²	99	106.2 Å²	106.2	64%	0.643	53%	0.525	S	S	*	.	H	α-helix	trans	-54.3	-30.3	176.1	-27.7	35.9	0	0	0	113.8	Q115	P111-Q115 WeakPolarHBondContact O-CB 3.47Å; P111-Q115 VanDerWaalsContact O-CG 3.32Å; P111-Q115 WeakPolarHBondContact O-CG 3.4Å; P111-Q115 PolarHBondContact O-N 3.32Å
112	E	69.3	Low	65.4	Low	145 Å²	145	107.3 Å²	107.3	68%	0.678	53%	0.525	S	S	*	.	H	α-helix	trans	-67.9	-41.9	174.9	-67.9	157.8	-155.7	0	0	112.7	R110 Q115 W116	R110-E112 PolarHBondContact O-N 3.35Å; E112-Q115 PolarHBondContact O-N 2.93Å; E112-W116 WeakPolarHBondContact O-CB 3.36Å; E112-W116 PolarHBondContact O-N 3.31Å
113	E	68.9	Low	65.3	Low	89 Å²	89	107.7 Å²	107.7	42%	0.416	52%	0.524	S	S	.	.	H	α-helix	trans	-69.2	-40.2	176.1	-64.4	166.4	158.5	0	0	110.6	K109 R110 Q115 W116 D117	K109-E113 WeakPolarHBondContact CA-OE2 3.43Å; R110-E113 HydrophobicContact CB-CG 4.24Å; R110-E113 PolarHBondContact N-OE2 3.12Å; R110-E113 WeakPolarHBondContact O-CB 3.48Å; R110-E113 PolarHBondContact O-N 2.72Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-W116 WeakPolarHBondContact O-CB 3.41Å; E113-W116 PolarHBondContact O-N 2.97Å; E113-W116 VanDerWaalsContact O-N 3.16Å; E113-D117 PolarHBondContact O-N 2.78Å
114	I	67.4	Low	65.2	Low	75 Å²	75	110.4 Å²	110.4	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-64.4	-39.3	173.9	-62.7	171.3	0	0	0	110.5	K109 R110 I118	K109-I114 HydrophobicContact CB-CD1 4.11Å; K109-I114 HydrophobicContact CB-CG1 3.81Å; R110-I114 WeakPolarHBondContact O-CG1 3.17Å; R110-I114 PolarHBondContact O-N 2.88Å; I114-I118 HydrophobicContact CG2-CD1 3.78Å; I114-I118 HydrophobicContact CG2-CG1 4.48Å; I114-I118 VanDerWaalsContact O-CB 3.31Å; I114-I118 WeakPolarHBondContact O-CB 3.44Å; I114-I118 WeakPolarHBondContact O-CD1 3.48Å; I114-I118 WeakPolarHBondContact O-CG1 3.32Å; I114-I118 PolarHBondContact O-N 2.97Å
115	Q	65.1	Low	64.9	Low	140 Å²	140	109.1 Å²	109.1	65%	0.654	53%	0.53	S	S	*	.	H	α-helix	trans	-67.3	-33.7	171.9	-79.9	-175.4	6.2	0	0	112.7	P111 E112 E113 S119	P111-Q115 WeakPolarHBondContact O-CB 3.47Å; P111-Q115 VanDerWaalsContact O-CG 3.32Å; P111-Q115 WeakPolarHBondContact O-CG 3.4Å; P111-Q115 PolarHBondContact O-N 3.32Å; E112-Q115 PolarHBondContact O-N 2.93Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-S119 WeakPolarHBondContact O-CB 3.3Å; Q115-S119 PolarHBondContact O-N 3.36Å
116	W	72.8	Confident	64.5	Low	160 Å²	160	108.8 Å²	108.8	61%	0.606	53%	0.527	S	S	*	.	H	α-helix	trans	-68.8	-45.4	175.4	-173.6	94.2	0	0	0	111.8	E112 E113 S119 K120	E112-W116 WeakPolarHBondContact O-CB 3.36Å; E112-W116 PolarHBondContact O-N 3.31Å; E113-W116 WeakPolarHBondContact O-CB 3.41Å; E113-W116 PolarHBondContact O-N 2.97Å; E113-W116 VanDerWaalsContact O-N 3.16Å; W116-S119 WeakPolarHBondContact O-CB 3.34Å; W116-S119 PolarHBondContact O-N 3.05Å; W116-K120 HydrophobicContact CE3-CD 4.3Å; W116-K120 HydrophobicContact CH2-CD 3.82Å; W116-K120 HydrophobicContact CZ3-CD 3.65Å; W116-K120 WeakPolarHBondContact O-CB 3.16Å; W116-K120 PolarHBondContact O-N 2.91Å
117	D	69.4	Low	64.2	Low	42 Å²	42	107.8 Å²	107.8	23%	0.225	53%	0.528	C	S	.	.	H	α-helix	trans	-60.8	-48.8	172.8	-78.3	-27.6	0	0	0	110.6	K109 E113 S119 K120 D121	K109-D117 IonicContact NZ-OD2 3.28Å; K109-D117 PolarHBondContact NZ-OD2 3.12Å; E113-D117 PolarHBondContact O-N 2.78Å; D117-S119 VanDerWaalsContact C-N 3.25Å; D117-S119 PolarHBondContact O-N 2.99Å; D117-K120 WeakPolarHBondContact O-CB 3.03Å; D117-K120 PolarHBondContact O-N 3.37Å; D117-K120 VanDerWaalsContact O-N 3.16Å; D117-D121 WeakPolarHBondContact O-CB 3.47Å; D117-D121 PolarHBondContact O-N 3.1Å
118	I	71.1	Confident	63.8	Low	86 Å²	86	103.8 Å²	103.8	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-32.1	175.7	-70.1	168.9	0	0	0	112	I114 K122	I114-I118 HydrophobicContact CG2-CD1 3.78Å; I114-I118 HydrophobicContact CG2-CG1 4.48Å; I114-I118 VanDerWaalsContact O-CB 3.31Å; I114-I118 WeakPolarHBondContact O-CB 3.44Å; I114-I118 WeakPolarHBondContact O-CD1 3.48Å; I114-I118 WeakPolarHBondContact O-CG1 3.32Å; I114-I118 PolarHBondContact O-N 2.97Å; I118-K122 HydrophobicContact CG2-CD 4.26Å; I118-K122 WeakPolarHBondContact O-CB 3.46Å; I118-K122 VanDerWaalsContact O-CG 3.23Å; I118-K122 WeakPolarHBondContact O-CG 3.47Å; I118-K122 PolarHBondContact O-N 3.25Å
119	S	69.6	Low	62.9	Low	54 Å²	54	104.7 Å²	104.7	38%	0.378	53%	0.527	S	S	.	.	H	α-helix	trans	-70.4	-43.2	175.2	177.7	0	0	0	0	111.7	Q115 W116 D117 K122 K123	Q115-S119 WeakPolarHBondContact O-CB 3.3Å; Q115-S119 PolarHBondContact O-N 3.36Å; W116-S119 WeakPolarHBondContact O-CB 3.34Å; W116-S119 PolarHBondContact O-N 3.05Å; D117-S119 VanDerWaalsContact C-N 3.25Å; D117-S119 PolarHBondContact O-N 2.99Å; S119-K122 PolarHBondContact O-N 3.3Å; S119-K123 WeakPolarHBondContact O-CG 3.27Å; S119-K123 PolarHBondContact O-N 3.45Å
120	K	75	Confident	61.5	Low	100 Å²	100	104.2 Å²	104.2	44%	0.435	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-46.2	175.7	179.3	-178.3	173.5	-170.2	0	111.4	W116 D117 K123 L124	W116-K120 HydrophobicContact CE3-CD 4.3Å; W116-K120 HydrophobicContact CH2-CD 3.82Å; W116-K120 HydrophobicContact CZ3-CD 3.65Å; W116-K120 WeakPolarHBondContact O-CB 3.16Å; W116-K120 PolarHBondContact O-N 2.91Å; D117-K120 WeakPolarHBondContact O-CB 3.03Å; D117-K120 PolarHBondContact O-N 3.37Å; D117-K120 VanDerWaalsContact O-N 3.16Å; K120-K123 WeakPolarHBondContact O-CB 3.25Å; K120-K123 PolarHBondContact O-N 2.86Å; K120-K123 VanDerWaalsContact O-N 3.13Å; K120-L124 HydrophobicContact CG-CD1 4.35Å; K120-L124 WeakPolarHBondContact O-CG 3.46Å; K120-L124 PolarHBondContact O-N 2.76Å
121	D	67.2	Low	60.1	Low	82 Å²	82	98.9 Å²	98.9	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-37.2	176.5	-70.9	-9	0	0	0	111.2	D117 K123 L124 I125	D117-D121 WeakPolarHBondContact O-CB 3.47Å; D117-D121 PolarHBondContact O-N 3.1Å; D121-K123 VanDerWaalsContact C-N 3.35Å; D121-K123 PolarHBondContact O-N 2.63Å; D121-L124 PolarHBondContact O-N 3.23Å; D121-I125 WeakPolarHBondContact O-CB 3.3Å; D121-I125 WeakPolarHBondContact O-CD1 3.42Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.75Å
122	K	67.9	Low	58.7	Low	133 Å²	133	102.5 Å²	102.5	58%	0.578	55%	0.549	S	S	*	.	H	α-helix	trans	-62.2	-38.7	168.8	-83.9	179.4	175.7	-179	0	112.6	I118 S119 I125 I126	I118-K122 HydrophobicContact CG2-CD 4.26Å; I118-K122 WeakPolarHBondContact O-CB 3.46Å; I118-K122 VanDerWaalsContact O-CG 3.23Å; I118-K122 WeakPolarHBondContact O-CG 3.47Å; I118-K122 PolarHBondContact O-N 3.25Å; S119-K122 PolarHBondContact O-N 3.3Å; K122-I125 PolarHBondContact O-N 3.17Å; K122-I126 VanDerWaalsContact O-CB 3.3Å; K122-I126 WeakPolarHBondContact O-CB 3.42Å; K122-I126 WeakPolarHBondContact O-CD1 3.47Å; K122-I126 WeakPolarHBondContact O-CG1 3.42Å; K122-I126 PolarHBondContact O-N 3.04Å
123	K	65.7	Low	57.3	Low	148 Å²	148	99 Å²	99	64%	0.643	54%	0.535	S	S	*	.	H	α-helix	trans	-65.6	-41.1	174.2	-75.4	175.1	-180	-177.2	0	111.8	S119 K120 D121 I126 A127	S119-K123 WeakPolarHBondContact O-CG 3.27Å; S119-K123 PolarHBondContact O-N 3.45Å; K120-K123 WeakPolarHBondContact O-CB 3.25Å; K120-K123 PolarHBondContact O-N 2.86Å; K120-K123 VanDerWaalsContact O-N 3.13Å; D121-K123 VanDerWaalsContact C-N 3.35Å; D121-K123 PolarHBondContact O-N 2.63Å; K123-I126 PolarHBondContact O-N 2.97Å; K123-A127 WeakPolarHBondContact O-CB 3.36Å; K123-A127 PolarHBondContact O-N 3Å
124	L	56	Low	56.1	Low	104 Å²	104	99.6 Å²	99.6	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-40.8	174	-73.6	163.7	0	0	0	112	K120 D121 A127 G128	K120-L124 HydrophobicContact CG-CD1 4.35Å; K120-L124 WeakPolarHBondContact O-CG 3.46Å; K120-L124 PolarHBondContact O-N 2.76Å; D121-L124 PolarHBondContact O-N 3.23Å; L124-A127 PolarHBondContact O-N 2.65Å; L124-G128 PolarHBondContact O-N 3.38Å
125	I	50.7	Low	55.1	Low	94 Å²	94	102.8 Å²	102.8	48%	0.482	56%	0.562	S	S	.	*	H	α-helix	trans	-69.2	-39.8	175.8	-70.2	164.2	0	0	0	111.1	D121 K122 A127 G128 Q129	D121-I125 WeakPolarHBondContact O-CB 3.3Å; D121-I125 WeakPolarHBondContact O-CD1 3.42Å; D121-I125 WeakPolarHBondContact O-CG1 3.47Å; D121-I125 PolarHBondContact O-N 2.75Å; K122-I125 PolarHBondContact O-N 3.17Å; I125-A127 VanDerWaalsContact C-N 3.33Å; I125-G128 CarbonylContact O-C 3.48Å; I125-G128 PolarHBondContact O-N 3.01Å; I125-Q129 HydrophobicContact CG2-CG 4.18Å; I125-Q129 VanDerWaalsContact O-CB 3.24Å; I125-Q129 WeakPolarHBondContact O-CB 3.43Å; I125-Q129 VanDerWaalsContact O-CG 3.23Å; I125-Q129 WeakPolarHBondContact O-CG 3.45Å; I125-Q129 PolarHBondContact O-N 3.35Å
126	I	52.7	Low	55	Low	113 Å²	113	103.4 Å²	103.4	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-65.8	-37.2	175.4	-72.4	163.8	0	0	0	110.8	K122 K123 Q129 A130	K122-I126 VanDerWaalsContact O-CB 3.3Å; K122-I126 WeakPolarHBondContact O-CB 3.42Å; K122-I126 WeakPolarHBondContact O-CD1 3.47Å; K122-I126 WeakPolarHBondContact O-CG1 3.42Å; K122-I126 PolarHBondContact O-N 3.04Å; K123-I126 PolarHBondContact O-N 2.97Å; I126-Q129 PolarHBondContact O-N 3.49Å; I126-A130 PolarHBondContact O-N 2.94Å
127	A	49.8	Very low	55.6	Low	69 Å²	69	98 Å²	98	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-65.5	-45	170.7	0	0	0	0	0	112	K123 L124 I125 Q129 A130	K123-A127 WeakPolarHBondContact O-CB 3.36Å; K123-A127 PolarHBondContact O-N 3Å; L124-A127 PolarHBondContact O-N 2.65Å; I125-A127 VanDerWaalsContact C-N 3.33Å; A127-Q129 VanDerWaalsContact C-N 3.29Å; A127-Q129 PolarHBondContact O-N 3.23Å; A127-A130 WeakPolarHBondContact O-CB 3.32Å; A127-A130 PolarHBondContact O-N 2.6Å; A127-A130 VanDerWaalsContact O-N 3.16Å
128	G	43.5	Very low	56.5	Low	64 Å²	64	98.3 Å²	98.3	66%	0.66	55%	0.549	S	S	*	.	H	α-helix	trans	-69.1	-21.9	176	0	0	0	0	0	114.6	L124 I125 A130	L124-G128 PolarHBondContact O-N 3.38Å; I125-G128 CarbonylContact O-C 3.48Å; I125-G128 PolarHBondContact O-N 3.01Å; G128-A130 VanDerWaalsContact C-N 3.32Å
129	Q	37.6	Very low	57.2	Low	150 Å²	150	100.5 Å²	100.5	70%	0.701	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-3.8	173.1	-76.3	178.7	-22.2	0	0	113	I125 I126 A127 G131	I125-Q129 HydrophobicContact CG2-CG 4.18Å; I125-Q129 VanDerWaalsContact O-CB 3.24Å; I125-Q129 WeakPolarHBondContact O-CB 3.43Å; I125-Q129 VanDerWaalsContact O-CG 3.23Å; I125-Q129 WeakPolarHBondContact O-CG 3.45Å; I125-Q129 PolarHBondContact O-N 3.35Å; I126-Q129 PolarHBondContact O-N 3.49Å; A127-Q129 VanDerWaalsContact C-N 3.29Å; A127-Q129 PolarHBondContact O-N 3.23Å; Q129-G131 PolarHBondContact O-N 3.05Å
130	A	36.1	Very low	58	Low	79 Å²	79	101 Å²	101	65%	0.653	57%	0.567	S	S	*	*	S	Bend	trans	-81	21	170	0	0	0	0	0	113.5	I126 A127 G128	I126-A130 PolarHBondContact O-N 2.94Å; A127-A130 WeakPolarHBondContact O-CB 3.32Å; A127-A130 PolarHBondContact O-N 2.6Å; A127-A130 VanDerWaalsContact O-N 3.16Å; G128-A130 VanDerWaalsContact C-N 3.32Å
131	G	40.7	Very low	58.6	Low	51 Å²	51	103.7 Å²	103.7	53%	0.526	58%	0.581	S	S	.	*			trans	-73.1	160.4	177.2	0	0	0	0	0	113.9	Q129	Q129-G131 PolarHBondContact O-N 3.05Å
132	N	36.6	Very low	59.8	Low	174 Å²	174	102.9 Å²	102.9	93%	0.93	57%	0.572	S	S	*	*			trans	82.5	44.8	-179.4	-52.7	-26.4	0	0	0	117.1
133	D	38.8	Very low	60.9	Low	73 Å²	73	102.8 Å²	102.8	39%	0.39	57%	0.574	S	S	.	*			trans	-141.6	103.9	153.7	-166.6	-3.5	0	0	0	110.6	N135 K136	D133-N135 PolarHBondContact O-N 3.32Å; D133-N135 WeakPolarHBondContact OD1-CB 3.21Å; D133-N135 PolarHBondContact OD1-N 3.17Å; D133-N135 PolarHBondContact OD1-ND2 3.26Å; D133-K136 HydrophobicContact CB-CD 4.21Å; D133-K136 HydrophobicContact CB-CG 4.38Å; D133-K136 PolarHBondContact O-N 2.67Å; D133-K136 WeakPolarHBondContact OD2-CE 3.19Å; D133-K136 IonicContact OD2-NZ 2.68Å
134	V	43.7	Very low	62.1	Low	101 Å²	101	101.6 Å²	101.6	61%	0.612	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-12.2	-176.4	-176	0	0	0	0	112	K136	V134-K136 VanDerWaalsContact C-N 3.3Å; V134-K136 PolarHBondContact O-N 3.39Å
135	N	47.1	Very low	63.8	Low	141 Å²	141	97.5 Å²	97.5	75%	0.754	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	9.7	-179.8	-54.7	-73.6	0	0	0	114.3	D133	D133-N135 PolarHBondContact O-N 3.32Å; D133-N135 WeakPolarHBondContact OD1-CB 3.21Å; D133-N135 PolarHBondContact OD1-N 3.17Å; D133-N135 PolarHBondContact OD1-ND2 3.26Å
136	K	63.8	Low	65.9	Low	154 Å²	154	96.5 Å²	96.5	67%	0.67	54%	0.544	S	S	*	.			trans	-115	30.6	-173.5	-67.1	-175.2	-176.8	166.4	0	115.6	D133 V134	D133-K136 HydrophobicContact CB-CD 4.21Å; D133-K136 HydrophobicContact CB-CG 4.38Å; D133-K136 PolarHBondContact O-N 2.67Å; D133-K136 WeakPolarHBondContact OD2-CE 3.19Å; D133-K136 IonicContact OD2-NZ 2.68Å; V134-K136 VanDerWaalsContact C-N 3.3Å; V134-K136 PolarHBondContact O-N 3.39Å
137	I	84.9	Confident	67.8	Low	46 Å²	46	92 Å²	92	24%	0.236	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-61.3	127.7	156.2	-62.2	176.3	0	0	0	107.3	R269 V272	I137-R269 HydrophobicContact CD1-CB 4.48Å; I137-V272 HydrophobicContact CD1-CB 3.9Å; I137-V272 HydrophobicContact CD1-CG1 4.08Å; I137-V272 HydrophobicContact CD1-CG2 4.16Å; I137-V272 HydrophobicContact CG1-CG1 4.27Å
138	P	87.9	Confident	69.7	Low	48 Å²	48	88.9 Å²	88.9	31%	0.312	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-66.1	147.1	-176.5	26.5	-34.5	0	0	0	111.2	I140 R268 S330	P138-I140 PolarHBondContact O-N 3.19Å; P138-R268 PolarHBondContact O-NH2 3.27Å; P138-S330 WeakPolarHBondContact CD-O 3.47Å
139	P	85.2	Confident	71.7	Confident	133 Å²	133	88.4 Å²	88.4	86%	0.864	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-61.7	133.9	169	27.8	-33.6	0	0	0	109.5
140	I	87.3	Confident	73.9	Confident	65 Å²	65	81.6 Å²	81.6	33%	0.333	46%	0.455	S	S	.	.			trans	-126.2	136.9	173.2	-71.4	-179.4	0	0	0	106.6	P138 Y142 R268 L329	P138-I140 PolarHBondContact O-N 3.19Å; I140-Y142 PolarHBondContact O-N 3.11Å; I140-R268 VanDerWaalsContact CD1-NH2 3.27Å; I140-L329 HydrophobicContact CD1-CD2 4.11Å
141	E	87.6	Confident	76.4	Confident	155 Å²	155	84 Å²	84	72%	0.724	45%	0.452	S	S	*	.			trans	-72.7	119.2	172.6	-167.1	170	166.8	0	0	109.3	H143	E141-H143 PolarHBondContact O-N 2.83Å; E141-H143 IonicContact OE1-CE1 3.59Å; E141-H143 PolarHBondContact OE1-CE1 3.1Å; E141-H143 VanDerWaalsContact OE1-CE1 3.28Å
142	Y	91.8	Very high	78.7	Confident	65 Å²	65	87.2 Å²	87.2	26%	0.255	45%	0.454	S	S	.	.			trans	-79.4	113.9	179.9	172.7	-101	0	0	0	110.7	I140 R144 Y259 Y260 L261 G263	I140-Y142 PolarHBondContact O-N 3.11Å; Y142-R144 HydrophobicContact CE1-CB 3.94Å; Y142-R144 WeakPolarHBondContact OH-CA 3.49Å; Y142-R144 VanDerWaalsContact OH-CB 3.31Å; Y142-R144 WeakPolarHBondContact OH-CB 3.23Å; Y142-R144 WeakPolarHBondContact OH-CG 3.49Å; Y142-R144 PolarHBondContact OH-NE 2.67Å; Y142-Y259 HydrophobicContact CD2-CE2 4.49Å; Y142-Y260 WeakPolarHBondContact CE2-O 3.4Å; Y142-Y260 PolarHBondContact OH-O 3.22Å; Y142-L261 PolarHBondContact OH-O 3.04Å; Y142-L261 VanDerWaalsContact OH-O 3.04Å; Y142-G263 VanDerWaalsContact CE2-CA 3.46Å; Y142-G263 VanDerWaalsContact CZ-CA 3.42Å; Y142-G263 PolarHBondContact OH-N 3.19Å
143	H	90.4	Very high	81.4	Confident	132 Å²	132	79.1 Å²	79.1	61%	0.611	41%	0.411	S	S	*	.			trans	-111	119	165.5	-57	-46	0	0	0	109.1	E141 P145	E141-H143 PolarHBondContact O-N 2.83Å; E141-H143 IonicContact OE1-CE1 3.59Å; E141-H143 PolarHBondContact OE1-CE1 3.1Å; E141-H143 VanDerWaalsContact OE1-CE1 3.28Å; H143-P145 WeakPolarHBondContact O-CD 3.26Å
144	R	91.8	Very high	83.9	Confident	122 Å²	122	83.7 Å²	83.7	46%	0.46	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.7	124.4	174	-176.8	172.7	-69.6	168.3	3.6	109.6	Y142 A148 Y215 L261	Y142-R144 HydrophobicContact CE1-CB 3.94Å; Y142-R144 WeakPolarHBondContact OH-CA 3.49Å; Y142-R144 VanDerWaalsContact OH-CB 3.31Å; Y142-R144 WeakPolarHBondContact OH-CB 3.23Å; Y142-R144 WeakPolarHBondContact OH-CG 3.49Å; Y142-R144 PolarHBondContact OH-NE 2.67Å; R144-A148 HydrophobicContact CG-CB 3.64Å; R144-Y215 PolarHBondContact NH1-OH 2.86Å; R144-Y215 PolarHBondContact NH2-OH 2.67Å; R144-L261 PolarHBondContact NE-O 2.95Å
145	P	92.7	Very high	86.3	Confident	19 Å²	19	82.6 Å²	82.6	12%	0.123	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-68.2	149.4	177.5	-14.4	28.4	0	0	0	111.4	H143 A148 Y260 W595 P605	H143-P145 WeakPolarHBondContact O-CD 3.26Å; P145-A148 WeakPolarHBondContact O-CB 3.13Å; P145-Y260 WeakPolarHBondContact CD-O 3.44Å; P145-W595 HydrophobicContact CB-CH2 3.93Å; P145-W595 HydrophobicContact CB-CZ2 3.51Å; P145-W595 HydrophobicContact CG-CH2 3.6Å; P145-W595 HydrophobicContact CG-CZ2 3.74Å; P145-W595 HydrophobicContact CG-CZ3 4.24Å; P145-P605 HydrophobicContact CB-CB 4.14Å; P145-P605 HydrophobicContact CG-CB 3.72Å; P145-P605 HydrophobicContact CG-CG 4.13Å
146	P	94.3	Very high	88.6	Confident	72 Å²	72	80.5 Å²	80.5	47%	0.468	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	146.5	179	-29.8	38.5	0	0	0	113.8	A148 H594 W595	P146-A148 VanDerWaalsContact C-N 3.29Å; P146-A148 PolarHBondContact O-N 3.01Å; P146-H594 WeakPolarHBondContact CD-ND1 3.48Å; P146-W595 PolarHBondContact O-NE1 3.27Å
147	G	93.1	Very high	90.2	Very high	20 Å²	20	78.1 Å²	78.1	21%	0.206	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	13.3	178.4	0	0	0	0	0	115.6	T149 D588 H589 L590	G147-T149 PolarHBondContact O-N 3.29Å; G147-T149 VanDerWaalsContact O-N 3.12Å; G147-D588 WeakPolarHBondContact CA-O 3.36Å; G147-H589 PolarHBondContact O-CD2 2.69Å; G147-L590 PolarHBondContact O-N 2.87Å
148	A	88.7	Confident	90.8	Very high	3 Å²	3	76.3 Å²	76.3	3%	0.025	40%	0.402	C	S	.	.	S	Bend	trans	-61.6	-12.2	174.8	0	0	0	0	0	115	R144 P145 P146 L261 W595	R144-A148 HydrophobicContact CG-CB 3.64Å; P145-A148 WeakPolarHBondContact O-CB 3.13Å; P146-A148 VanDerWaalsContact C-N 3.29Å; P146-A148 PolarHBondContact O-N 3.01Å; A148-L261 HydrophobicContact CB-CD2 3.75Å; A148-W595 HydrophobicContact CB-CZ2 3.99Å
149	T	85.7	Confident	91.2	Very high	54 Å²	54	78 Å²	78	33%	0.331	40%	0.404	S	S	.	.	S	Bend	trans	-146.7	125.4	173.1	50	0	0	0	0	107	G147 Y215	G147-T149 PolarHBondContact O-N 3.29Å; G147-T149 VanDerWaalsContact O-N 3.12Å; T149-Y215 HydrophobicContact CG2-CE1 3.97Å
150	G	82.9	Confident	91.8	Very high	7 Å²	7	78.5 Å²	78.5	7%	0.072	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-85	171.6	179.3	0	0	0	0	0	113.5	H589	G150-H589 VanDerWaalsContact CA-CG 3.47Å; G150-H589 PolarHBondContact N-CD2 3.13Å; G150-H589 PolarHBondContact N-NE2 2.84Å; G150-H589 VanDerWaalsContact N-NE2 3.13Å
151	H	88.7	Confident	92.4	Very high	129 Å²	129	76 Å²	76	60%	0.597	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-90.2	173.1	169.9	-64.8	-48.9	0	0	0	111.8	R162 D588	H151-R162 VanDerWaalsContact O-CZ 3.23Å; H151-R162 PolarHBondContact O-NH1 3Å; H151-R162 PolarHBondContact O-NH2 2.95Å; H151-D588 IonicContact CD2-OD2 3.78Å; H151-D588 PolarHBondContact CD2-OD2 2.92Å
152	E	90.6	Very high	92.9	Very high	118 Å²	118	69.2 Å²	69.2	55%	0.551	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-83.7	134.1	176.2	-168.9	-177.5	-139.4	0	0	110	K159	E152-K159 VanDerWaalsContact CD-CE 3.44Å; E152-K159 HydrophobicContact CG-CD 4.01Å; E152-K159 HydrophobicContact CG-CG 4.28Å; E152-K159 WeakPolarHBondContact OE1-CD 3.27Å; E152-K159 WeakPolarHBondContact OE1-CE 3.38Å; E152-K159 IonicContact OE1-NZ 2.83Å; E152-K159 PolarHBondContact OE1-NZ 2.65Å; E152-K159 IonicContact OE2-NZ 2.6Å; E152-K159 PolarHBondContact OE2-NZ 2.67Å
153	P	92.6	Very high	93.2	Very high	5 Å²	5	69 Å²	69	3%	0.032	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-65.7	138.9	-173.5	-18.3	32.7	0	0	0	111.9	D155 T158 F584 D586	P153-D155 VanDerWaalsContact C-N 3.3Å; P153-D155 PolarHBondContact O-N 3.37Å; P153-T158 HydrophobicContact CB-CG2 3.77Å; P153-T158 HydrophobicContact CG-CG2 3.97Å; P153-F584 WeakPolarHBondContact CG-O 3.42Å; P153-D586 WeakPolarHBondContact CA-OD2 3.35Å
154	L	90.8	Very high	93.6	Very high	169 Å²	169	65.5 Å²	65.5	89%	0.885	34%	0.344	S	S	*	.	S	Bend	trans	-70.6	-26.5	-180	-61.7	179.5	0	0	0	113.2
155	D	94.5	Very high	94	Very high	77 Å²	77	59.7 Å²	59.7	41%	0.412	32%	0.322	S	S	.	.	S	Bend	trans	-77.9	122	176.7	169.6	49.9	0	0	0	111.3	P153 E157 T158 K159	P153-D155 VanDerWaalsContact C-N 3.3Å; P153-D155 PolarHBondContact O-N 3.37Å; D155-E157 VanDerWaalsContact C-N 3.32Å; D155-E157 PolarHBondContact O-N 3.06Å; D155-T158 PolarHBondContact O-N 2.96Å; D155-T158 WeakPolarHBondContact OD2-CB 3.41Å; D155-T158 PolarHBondContact OD2-N 2.92Å; D155-T158 PolarHBondContact OD2-OG1 2.69Å; D155-K159 WeakPolarHBondContact O-CB 3.2Å; D155-K159 PolarHBondContact O-N 2.83Å
156	P	96.3	Very high	94.3	Very high	97 Å²	97	62 Å²	62	63%	0.63	33%	0.329	S	S	*	.	H	α-helix	trans	-58.9	-36	-177.8	-26.5	35.7	0	0	0	114.7	E160	P156-E160 PolarHBondContact O-N 2.89Å
157	E	96.4	Very high	94.5	Very high	104 Å²	104	62.1 Å²	62.1	49%	0.486	32%	0.324	S	S	.	.	H	α-helix	trans	-72.9	-47.8	-179.7	177.1	163.4	-161.2	0	0	111.1	D155 K159 E160 R161	D155-E157 VanDerWaalsContact C-N 3.32Å; D155-E157 PolarHBondContact O-N 3.06Å; E157-K159 PolarHBondContact O-N 3.07Å; E157-E160 PolarHBondContact O-N 2.85Å; E157-E160 VanDerWaalsContact O-N 3.12Å; E157-R161 HydrophobicContact CG-CG 4.24Å; E157-R161 WeakPolarHBondContact O-CB 3.46Å; E157-R161 VanDerWaalsContact O-CG 3.3Å; E157-R161 WeakPolarHBondContact O-CG 3.2Å; E157-R161 PolarHBondContact O-N 3.35Å; E157-R161 IonicContact OE1-CZ 3.64Å; E157-R161 VanDerWaalsContact OE1-CZ 3.23Å; E157-R161 IonicContact OE1-NE 2.81Å; E157-R161 PolarHBondContact OE1-NE 2.92Å; E157-R161 IonicContact OE1-NH2 2.81Å; E157-R161 PolarHBondContact OE1-NH2 3.16Å
158	T	96.8	Very high	94.7	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.055	31%	0.314	C	S	.	.	H	α-helix	trans	-55.3	-42.1	173	-61.1	0	0	0	0	111	P153 D155 R161 R162 R531 F584	P153-T158 HydrophobicContact CB-CG2 3.77Å; P153-T158 HydrophobicContact CG-CG2 3.97Å; D155-T158 PolarHBondContact O-N 2.96Å; D155-T158 WeakPolarHBondContact OD2-CB 3.41Å; D155-T158 PolarHBondContact OD2-N 2.92Å; D155-T158 PolarHBondContact OD2-OG1 2.69Å; T158-R161 PolarHBondContact O-N 2.94Å; T158-R162 VanDerWaalsContact O-CB 3.29Å; T158-R162 WeakPolarHBondContact O-CB 3.33Å; T158-R162 PolarHBondContact O-N 2.85Å; T158-R531 PolarHBondContact OG1-NH1 3.48Å; T158-R531 VanDerWaalsContact OG1-NH1 3.1Å; T158-F584 HydrophobicContact CG2-CB 4.04Å; T158-F584 HydrophobicContact CG2-CD1 4.4Å; T158-F584 WeakPolarHBondContact CG2-O 3.3Å
159	K	97.5	Very high	95.2	Very high	84 Å²	84	61 Å²	61	37%	0.365	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-46.1	174.2	170.5	172.4	167.7	154.3	0	112.7	E152 D155 E157 A163	E152-K159 VanDerWaalsContact CD-CE 3.44Å; E152-K159 HydrophobicContact CG-CD 4.01Å; E152-K159 HydrophobicContact CG-CG 4.28Å; E152-K159 WeakPolarHBondContact OE1-CD 3.27Å; E152-K159 WeakPolarHBondContact OE1-CE 3.38Å; E152-K159 IonicContact OE1-NZ 2.83Å; E152-K159 PolarHBondContact OE1-NZ 2.65Å; E152-K159 IonicContact OE2-NZ 2.6Å; E152-K159 PolarHBondContact OE2-NZ 2.67Å; D155-K159 WeakPolarHBondContact O-CB 3.2Å; D155-K159 PolarHBondContact O-N 2.83Å; E157-K159 PolarHBondContact O-N 3.07Å; K159-A163 VanDerWaalsContact O-CB 3.3Å; K159-A163 WeakPolarHBondContact O-CB 3.27Å; K159-A163 PolarHBondContact O-N 2.65Å
160	E	98.3	Very high	95.9	Very high	143 Å²	143	62 Å²	62	67%	0.668	31%	0.313	S	S	*	.	H	α-helix	trans	-64.1	-46.7	176.2	-174.4	175.8	170	0	0	111.7	P156 E157 R162 A163 K164	P156-E160 PolarHBondContact O-N 2.89Å; E157-E160 PolarHBondContact O-N 2.85Å; E157-E160 VanDerWaalsContact O-N 3.12Å; E160-R162 PolarHBondContact O-N 3.4Å; E160-A163 PolarHBondContact O-N 3.2Å; E160-K164 PolarHBondContact O-N 3.35Å
161	R	98.6	Very high	96.6	Very high	12 Å²	12	63.5 Å²	63.5	5%	0.045	32%	0.318	C	S	.	.	H	α-helix	trans	-58.8	-44.8	177.6	-66.6	-177.3	-178.5	-164	4.8	111.4	E157 T158 K164 I165 R531 E532 W535 F584	E157-R161 HydrophobicContact CG-CG 4.24Å; E157-R161 WeakPolarHBondContact O-CB 3.46Å; E157-R161 VanDerWaalsContact O-CG 3.3Å; E157-R161 WeakPolarHBondContact O-CG 3.2Å; E157-R161 PolarHBondContact O-N 3.35Å; E157-R161 IonicContact OE1-CZ 3.64Å; E157-R161 VanDerWaalsContact OE1-CZ 3.23Å; E157-R161 IonicContact OE1-NE 2.81Å; E157-R161 PolarHBondContact OE1-NE 2.92Å; E157-R161 IonicContact OE1-NH2 2.81Å; E157-R161 PolarHBondContact OE1-NH2 3.16Å; T158-R161 PolarHBondContact O-N 2.94Å; R161-K164 WeakPolarHBondContact O-CB 3.42Å; R161-K164 PolarHBondContact O-N 2.73Å; R161-I165 WeakPolarHBondContact O-CD1 3.44Å; R161-I165 WeakPolarHBondContact O-CG1 3.43Å; R161-I165 PolarHBondContact O-N 3.35Å; R161-R531 PolarHBondContact NH1-O 2.68Å; R161-E532 IonicContact CZ-OE1 3.16Å; R161-E532 VanDerWaalsContact CZ-OE1 3.27Å; R161-E532 IonicContact CZ-OE2 3.96Å; R161-E532 IonicContact NH1-OE1 2.86Å; R161-E532 PolarHBondContact NH1-OE1 2.74Å; R161-E532 IonicContact NH1-OE2 2.69Å; R161-E532 IonicContact NH2-OE1 3.68Å; R161-E532 PolarHBondContact NH2-OE1 3.32Å; R161-E532 IonicContact NH2-OE2 3.72Å; R161-E532 PolarHBondContact NH2-OE2 2.87Å; R161-W535 HydrophobicContact CB-CD2 4.48Å; R161-W535 HydrophobicContact CB-CE3 3.88Å; R161-W535 HydrophobicContact CB-CH2 4.15Å; R161-W535 HydrophobicContact CB-CZ3 3.69Å; R161-W535 HydrophobicContact CG-CD2 3.77Å; R161-W535 HydrophobicContact CG-CE3 3.67Å; R161-W535 HydrophobicContact CG-CG 4.48Å; R161-W535 HydrophobicContact CG-CH2 3.82Å; R161-W535 HydrophobicContact CG-CZ2 3.89Å; R161-W535 HydrophobicContact CG-CZ3 3.7Å; R161-W535 VanDerWaalsContact CZ-CD1 3.46Å; R161-F584 HydrophobicContact CB-CD1 3.87Å; R161-F584 HydrophobicContact CB-CD2 4.37Å; R161-F584 HydrophobicContact CB-CE1 4.09Å; R161-F584 HydrophobicContact CB-CG 4.03Å; R161-F584 HydrophobicContact CB-CZ 4.43Å; R161-F584 VanDerWaalsContact CD-CE1 3.41Å; R161-F584 HydrophobicContact CG-CE1 4.4Å
162	R	98.4	Very high	97.1	Very high	13 Å²	13	57.3 Å²	57.3	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-42.3	174.9	179.9	169.5	148.5	-170.5	-8.1	113	H151 T158 E160 K164 I165 K166 Y581 F584 S585	H151-R162 VanDerWaalsContact O-CZ 3.23Å; H151-R162 PolarHBondContact O-NH1 3Å; H151-R162 PolarHBondContact O-NH2 2.95Å; T158-R162 VanDerWaalsContact O-CB 3.29Å; T158-R162 WeakPolarHBondContact O-CB 3.33Å; T158-R162 PolarHBondContact O-N 2.85Å; E160-R162 PolarHBondContact O-N 3.4Å; R162-K164 VanDerWaalsContact C-N 3.3Å; R162-K164 PolarHBondContact O-N 3.44Å; R162-I165 PolarHBondContact O-N 3.41Å; R162-I165 VanDerWaalsContact O-N 3.16Å; R162-K166 PolarHBondContact O-N 3.11Å; R162-K166 VanDerWaalsContact O-N 3.12Å; R162-Y581 HydrophobicContact CG-CD2 3.71Å; R162-Y581 HydrophobicContact CG-CE1 4.32Å; R162-Y581 HydrophobicContact CG-CE2 3.44Å; R162-Y581 VanDerWaalsContact CG-CE2 3.44Å; R162-Y581 HydrophobicContact CG-CG 4.28Å; R162-Y581 PolarHBondContact NE-OH 3.39Å; R162-Y581 PolarHBondContact NH2-OH 3.42Å; R162-F584 HydrophobicContact CB-CB 3.87Å; R162-F584 WeakPolarHBondContact CB-O 3.47Å; R162-F584 WeakPolarHBondContact CD-O 3.3Å; R162-S585 PolarHBondContact NH1-OG 3.31Å
163	A	98.6	Very high	97.5	Very high	60 Å²	60	51.7 Å²	51.7	50%	0.496	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-38.9	175.9	0	0	0	0	0	111.6	K159 E160 I165 K166 E167	K159-A163 VanDerWaalsContact O-CB 3.3Å; K159-A163 WeakPolarHBondContact O-CB 3.27Å; K159-A163 PolarHBondContact O-N 2.65Å; E160-A163 PolarHBondContact O-N 3.2Å; A163-I165 VanDerWaalsContact C-N 3.32Å; A163-I165 PolarHBondContact O-N 3.44Å; A163-K166 PolarHBondContact O-N 3.07Å; A163-E167 PolarHBondContact O-N 2.74Å
164	K	98.9	Very high	97.8	Very high	59 Å²	59	54.5 Å²	54.5	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-39.7	173.1	177.1	58.5	-174.7	172.6	0	112.2	E160 R161 R162 E167 M168 W535 E542	E160-K164 PolarHBondContact O-N 3.35Å; R161-K164 WeakPolarHBondContact O-CB 3.42Å; R161-K164 PolarHBondContact O-N 2.73Å; R162-K164 VanDerWaalsContact C-N 3.3Å; R162-K164 PolarHBondContact O-N 3.44Å; K164-E167 IonicContact NZ-OE2 2.82Å; K164-E167 PolarHBondContact NZ-OE2 3.28Å; K164-E167 WeakPolarHBondContact O-CB 3.25Å; K164-E167 PolarHBondContact O-N 2.86Å; K164-M168 HydrophobicContact CG-SD 4.39Å; K164-M168 WeakPolarHBondContact O-CG 3.46Å; K164-M168 PolarHBondContact O-N 3.47Å; K164-W535 HydrophobicContact CB-CH2 4.09Å; K164-W535 HydrophobicContact CB-CZ3 4.32Å; K164-W535 HydrophobicContact CG-CH2 3.99Å; K164-W535 HydrophobicContact CG-CZ3 4.25Å; K164-E542 WeakPolarHBondContact CE-OE2 3.42Å; K164-E542 IonicContact NZ-OE2 3.88Å; K164-E542 PolarHBondContact NZ-OE2 3.06Å
165	I	98.9	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-35.7	178.3	-65.6	152.1	0	0	0	111.8	R161 R162 A163 E167 M168 M169 M217 V538 L577 L580 Y581 F584	R161-I165 WeakPolarHBondContact O-CD1 3.44Å; R161-I165 WeakPolarHBondContact O-CG1 3.43Å; R161-I165 PolarHBondContact O-N 3.35Å; R162-I165 PolarHBondContact O-N 3.41Å; R162-I165 VanDerWaalsContact O-N 3.16Å; A163-I165 VanDerWaalsContact C-N 3.32Å; A163-I165 PolarHBondContact O-N 3.44Å; I165-E167 VanDerWaalsContact C-N 3.31Å; I165-E167 PolarHBondContact O-N 3.17Å; I165-M168 HydrophobicContact CG1-SD 4.41Å; I165-M168 WeakPolarHBondContact O-CB 3.48Å; I165-M168 PolarHBondContact O-N 3.3Å; I165-M169 PolarHBondContact O-N 2.72Å; I165-M217 HydrophobicContact CG2-CE 4.22Å; I165-V538 HydrophobicContact CD1-CG2 4.33Å; I165-V538 HydrophobicContact CG1-CG2 4.18Å; I165-L577 HydrophobicContact CG2-CD2 4.19Å; I165-L577 WeakPolarHBondContact CG2-O 3.34Å; I165-L580 HydrophobicContact CD1-CB 3.81Å; I165-L580 HydrophobicContact CG1-CB 4.15Å; I165-L580 HydrophobicContact CG2-CB 3.93Å; I165-Y581 HydrophobicContact CG2-CD2 4.32Å; I165-F584 HydrophobicContact CD1-CD2 3.39Å; I165-F584 HydrophobicContact CD1-CE2 3.9Å; I165-F584 HydrophobicContact CD1-CG 4.38Å
166	K	98.8	Very high	98.4	Very high	66 Å²	66	43.2 Å²	43.2	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-37	169.6	-174.3	170.9	178.2	165.4	0	111.9	R162 A163 M169 K170 M217 E218 M219 Y581	R162-K166 PolarHBondContact O-N 3.11Å; R162-K166 VanDerWaalsContact O-N 3.12Å; A163-K166 PolarHBondContact O-N 3.07Å; K166-M169 PolarHBondContact O-N 3.13Å; K166-K170 WeakPolarHBondContact O-CB 3.44Å; K166-K170 PolarHBondContact O-N 3.04Å; K166-M217 HydrophobicContact CB-SD 4.47Å; K166-M217 VanDerWaalsContact CD-O 3.29Å; K166-M217 WeakPolarHBondContact CD-O 3.18Å; K166-M217 WeakPolarHBondContact CE-O 3.22Å; K166-M217 HydrophobicContact CG-CB 4.48Å; K166-M217 PolarHBondContact NZ-O 3.48Å; K166-E218 PolarHBondContact NZ-O 2.97Å; K166-M219 HydrophobicContact CG-CG 4.44Å; K166-M219 HydrophobicContact CG-SD 4.27Å; K166-Y581 HydrophobicContact CB-CE2 4.13Å
167	E	98.9	Very high	98.5	Very high	76 Å²	76	42.1 Å²	42.1	36%	0.355	21%	0.205	S	C	.	.	H	α-helix	trans	-65.8	-39.2	173.2	-171.7	-81.7	141.7	0	0	112.2	A163 K164 I165 K170 H171 R546	A163-E167 PolarHBondContact O-N 2.74Å; K164-E167 IonicContact NZ-OE2 2.82Å; K164-E167 PolarHBondContact NZ-OE2 3.28Å; K164-E167 WeakPolarHBondContact O-CB 3.25Å; K164-E167 PolarHBondContact O-N 2.86Å; I165-E167 VanDerWaalsContact C-N 3.31Å; I165-E167 PolarHBondContact O-N 3.17Å; E167-K170 PolarHBondContact O-N 3.36Å; E167-H171 PolarHBondContact O-N 3.03Å; E167-R546 IonicContact OE1-CZ 3.91Å; E167-R546 IonicContact OE1-NH1 3.48Å; E167-R546 PolarHBondContact OE1-NH1 3.29Å; E167-R546 VanDerWaalsContact OE1-NH1 3.15Å; E167-R546 IonicContact OE1-NH2 3.65Å; E167-R546 PolarHBondContact OE1-NH2 2.8Å; E167-R546 IonicContact OE2-CZ 2.67Å; E167-R546 IonicContact OE2-NH1 3.7Å; E167-R546 PolarHBondContact OE2-NH1 2.97Å; E167-R546 IonicContact OE2-NH2 3.82Å
168	M	98.9	Very high	98.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-42.8	174.4	-65.2	167.4	70.4	0	0	112	K164 I165 H171 A172 V538 L541 E542 Y551 L577	K164-M168 HydrophobicContact CG-SD 4.39Å; K164-M168 WeakPolarHBondContact O-CG 3.46Å; K164-M168 PolarHBondContact O-N 3.47Å; I165-M168 HydrophobicContact CG1-SD 4.41Å; I165-M168 WeakPolarHBondContact O-CB 3.48Å; I165-M168 PolarHBondContact O-N 3.3Å; M168-H171 PolarHBondContact O-N 2.74Å; M168-A172 WeakPolarHBondContact O-CB 3.25Å; M168-A172 PolarHBondContact O-N 3.41Å; M168-V538 HydrophobicContact CE-CG1 4.29Å; M168-V538 HydrophobicContact SD-CG1 3.72Å; M168-L541 HydrophobicContact CE-CB 4.13Å; M168-L541 HydrophobicContact CE-CD1 4.45Å; M168-E542 HydrophobicContact CE-CG 4.14Å; M168-E542 WeakPolarHBondContact CG-OE1 3.29Å; M168-E542 HydrophobicContact SD-CG 4.14Å; M168-Y551 WeakPolarHBondContact CA-OH 3.32Å; M168-Y551 WeakPolarHBondContact CB-OH 3.47Å; M168-Y551 HydrophobicContact CE-CE1 4.34Å; M168-Y551 WeakPolarHBondContact CG-OH 3.19Å; M168-Y551 WeakPolarHBondContact O-CE2 3.32Å; M168-L577 HydrophobicContact CB-CD2 3.77Å; M168-L577 HydrophobicContact CE-CD2 4.14Å
169	M	98.9	Very high	98.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-45.9	173	-177.1	64.4	177.2	0	0	111.8	I165 K166 H171 A172 W173 A210 T213 L214 M217 M219 L573 L577	I165-M169 PolarHBondContact O-N 2.72Å; K166-M169 PolarHBondContact O-N 3.13Å; M169-H171 VanDerWaalsContact C-N 3.33Å; M169-H171 PolarHBondContact O-N 3.15Å; M169-A172 PolarHBondContact O-N 3.46Å; M169-W173 VanDerWaalsContact O-CB 3.27Å; M169-W173 WeakPolarHBondContact O-CB 3.42Å; M169-W173 PolarHBondContact O-N 3.33Å; M169-A210 HydrophobicContact CE-CB 3.93Å; M169-T213 HydrophobicContact CE-CG2 3.6Å; M169-T213 HydrophobicContact CG-CG2 4.33Å; M169-T213 HydrophobicContact SD-CG2 3.81Å; M169-L214 HydrophobicContact CE-CD2 3.62Å; M169-L214 HydrophobicContact CE-CG 3.82Å; M169-M217 HydrophobicContact CB-CE 4.07Å; M169-M217 HydrophobicContact CB-SD 3.53Å; M169-M217 VanDerWaalsContact CB-SD 3.53Å; M169-M217 HydrophobicContact CG-CE 4.24Å; M169-M217 HydrophobicContact CG-SD 3.66Å; M169-M219 HydrophobicContact CB-SD 4.2Å; M169-M219 HydrophobicContact CG-CE 4.27Å; M169-M219 HydrophobicContact CG-SD 3.69Å; M169-L573 HydrophobicContact CE-CB 4.07Å; M169-L573 HydrophobicContact CE-CD2 3.98Å; M169-L573 HydrophobicContact CE-CG 4.37Å; M169-L573 HydrophobicContact SD-CB 3.98Å; M169-L573 HydrophobicContact SD-CD2 3.97Å; M169-L573 HydrophobicContact SD-CG 3.96Å; M169-L577 HydrophobicContact CB-CD1 4.08Å; M169-L577 HydrophobicContact SD-CD1 3.88Å
170	K	98.9	Very high	98.8	Very high	75 Å²	75	44 Å²	44	33%	0.326	21%	0.205	S	C	.	.	H	α-helix	trans	-57	-45.3	175.6	-172.3	64.5	179.4	147.2	0	111.7	K166 E167 W173 D174 M219 E222	K166-K170 WeakPolarHBondContact O-CB 3.44Å; K166-K170 PolarHBondContact O-N 3.04Å; E167-K170 PolarHBondContact O-N 3.36Å; K170-W173 PolarHBondContact O-N 3.37Å; K170-D174 WeakPolarHBondContact CE-OD1 3.36Å; K170-D174 WeakPolarHBondContact CE-OD2 3.4Å; K170-D174 VanDerWaalsContact NZ-CG 3.33Å; K170-D174 IonicContact NZ-OD1 2.73Å; K170-D174 PolarHBondContact NZ-OD1 2.86Å; K170-D174 IonicContact NZ-OD2 2.68Å; K170-D174 PolarHBondContact NZ-OD2 3.06Å; K170-D174 VanDerWaalsContact NZ-OD2 3.13Å; K170-D174 VanDerWaalsContact O-CB 3.26Å; K170-D174 WeakPolarHBondContact O-CB 3.22Å; K170-D174 VanDerWaalsContact O-CG 3.25Å; K170-D174 PolarHBondContact O-N 2.94Å; K170-M219 HydrophobicContact CB-CE 4.21Å; K170-M219 HydrophobicContact CD-CE 3.8Å; K170-E222 WeakPolarHBondContact CD-OE1 3.26Å; K170-E222 VanDerWaalsContact CE-OE1 3.3Å; K170-E222 WeakPolarHBondContact CE-OE1 3.25Å; K170-E222 IonicContact NZ-OE1 3.54Å; K170-E222 PolarHBondContact NZ-OE1 3.36Å
171	H	98.9	Very high	98.8	Very high	37 Å²	37	41.3 Å²	41.3	17%	0.171	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-42.5	176.7	-177.1	85.9	0	0	0	113.3	E167 M168 M169 S175 R546 L547 Y551	E167-H171 PolarHBondContact O-N 3.03Å; M168-H171 PolarHBondContact O-N 2.74Å; M169-H171 VanDerWaalsContact C-N 3.33Å; M169-H171 PolarHBondContact O-N 3.15Å; H171-S175 VanDerWaalsContact O-CB 3.25Å; H171-S175 WeakPolarHBondContact O-CB 3.41Å; H171-S175 PolarHBondContact O-N 3.43Å; H171-S175 PolarHBondContact O-OG 2.9Å; H171-R546 VanDerWaalsContact CB-NH2 3.32Å; H171-R546 PolarHBondContact ND1-NH2 3.45Å; H171-L547 PolarHBondContact CE1-O 2.96Å; H171-L547 VanDerWaalsContact CE1-O 3.29Å; H171-L547 PolarHBondContact NE2-O 2.9Å; H171-Y551 HydrophobicContact CB-CE2 4.35Å; H171-Y551 AromaticContact CD2-CE2 3.54Å
172	A	98.9	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-41.7	177.9	0	0	0	0	0	112.1	M168 M169 Y176 Y551 Q568 Y572 L573 L577	M168-A172 WeakPolarHBondContact O-CB 3.25Å; M168-A172 PolarHBondContact O-N 3.41Å; M169-A172 PolarHBondContact O-N 3.46Å; A172-Y176 PolarHBondContact O-N 3.48Å; A172-Y176 VanDerWaalsContact O-N 3.14Å; A172-Y551 HydrophobicContact CB-CD2 3.83Å; A172-Y551 HydrophobicContact CB-CE2 3.91Å; A172-Q568 PolarHBondContact O-NE2 3.17Å; A172-Y572 HydrophobicContact CB-CD1 4.45Å; A172-Y572 HydrophobicContact CB-CE1 4.27Å; A172-L573 HydrophobicContact CB-CD1 4.29Å; A172-L573 HydrophobicContact CB-CD2 4.22Å; A172-L573 HydrophobicContact CB-CG 4.17Å; A172-L577 HydrophobicContact CB-CD1 4.41Å
173	W	98.9	Very high	98.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-50.7	179.8	178.9	-95.1	0	0	0	112.5	M169 K170 S175 Y176 Q177 W181 I207 A210 L214 A226 L573	M169-W173 VanDerWaalsContact O-CB 3.27Å; M169-W173 WeakPolarHBondContact O-CB 3.42Å; M169-W173 PolarHBondContact O-N 3.33Å; K170-W173 PolarHBondContact O-N 3.37Å; W173-S175 PolarHBondContact O-N 2.98Å; W173-Y176 HydrophobicContact CE3-CD1 4.49Å; W173-Y176 HydrophobicContact CZ3-CD1 4.38Å; W173-Y176 CarbonylContact O-C 3.52Å; W173-Y176 WeakPolarHBondContact O-CA 3.47Å; W173-Y176 WeakPolarHBondContact O-CB 3.41Å; W173-Y176 PolarHBondContact O-N 2.95Å; W173-Q177 PolarHBondContact O-N 2.86Å; W173-W181 HydrophobicContact CH2-CH2 4.12Å; W173-W181 AromaticContact CH2-CZ3 3.67Å; W173-W181 HydrophobicContact CH2-CZ3 3.67Å; W173-W181 AromaticContact CZ2-CH2 3.83Å; W173-W181 HydrophobicContact CZ2-CH2 3.83Å; W173-W181 AromaticContact CZ2-CZ3 3.49Å; W173-W181 HydrophobicContact CZ2-CZ3 3.49Å; W173-W181 VanDerWaalsContact CZ2-CZ3 3.49Å; W173-I207 HydrophobicContact CH2-CG1 4.35Å; W173-I207 HydrophobicContact CH2-CG2 4.49Å; W173-A210 HydrophobicContact CE3-CB 3.99Å; W173-A210 HydrophobicContact CZ3-CB 3.71Å; W173-L214 HydrophobicContact CD2-CD1 4.11Å; W173-L214 HydrophobicContact CD2-CD2 4.21Å; W173-L214 HydrophobicContact CE3-CD1 4.01Å; W173-L214 HydrophobicContact CE3-CD2 4.5Å; W173-L214 HydrophobicContact CG-CD2 4.29Å; W173-L214 HydrophobicContact CH2-CD1 3.76Å; W173-L214 HydrophobicContact CZ2-CD1 3.87Å; W173-L214 HydrophobicContact CZ3-CD1 3.85Å; W173-A226 HydrophobicContact CH2-CB 3.94Å; W173-A226 HydrophobicContact CZ2-CB 4.21Å; W173-L573 HydrophobicContact CB-CD2 4.46Å; W173-L573 HydrophobicContact CE3-CD2 4.17Å
174	D	98.9	Very high	98.7	Very high	64 Å²	64	39.5 Å²	39.5	34%	0.342	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-34.7	-179.5	-72.6	-0.8	0	0	0	110.9	K170 R178	K170-D174 WeakPolarHBondContact CE-OD1 3.36Å; K170-D174 WeakPolarHBondContact CE-OD2 3.4Å; K170-D174 VanDerWaalsContact NZ-CG 3.33Å; K170-D174 IonicContact NZ-OD1 2.73Å; K170-D174 PolarHBondContact NZ-OD1 2.86Å; K170-D174 IonicContact NZ-OD2 2.68Å; K170-D174 PolarHBondContact NZ-OD2 3.06Å; K170-D174 VanDerWaalsContact NZ-OD2 3.13Å; K170-D174 VanDerWaalsContact O-CB 3.26Å; K170-D174 WeakPolarHBondContact O-CB 3.22Å; K170-D174 VanDerWaalsContact O-CG 3.25Å; K170-D174 PolarHBondContact O-N 2.94Å; D174-R178 WeakPolarHBondContact O-CB 3.36Å; D174-R178 PolarHBondContact O-N 3.32Å
175	S	98.8	Very high	98.7	Very high	8 Å²	8	36.9 Å²	36.9	6%	0.056	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-44.4	171.7	-62.3	0	0	0	0	112.3	H171 W173 R178 Y179 G549 G550	H171-S175 VanDerWaalsContact O-CB 3.25Å; H171-S175 WeakPolarHBondContact O-CB 3.41Å; H171-S175 PolarHBondContact O-N 3.43Å; H171-S175 PolarHBondContact O-OG 2.9Å; W173-S175 PolarHBondContact O-N 2.98Å; S175-R178 PolarHBondContact O-N 2.96Å; S175-Y179 WeakPolarHBondContact O-CB 3.43Å; S175-Y179 WeakPolarHBondContact O-CD2 3.33Å; S175-Y179 PolarHBondContact O-N 2.81Å; S175-G549 WeakPolarHBondContact CB-O 2.95Å; S175-G550 PolarHBondContact OG-N 3.35Å
176	Y	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-48.7	174.9	170.6	-91.9	0	0	0	111.5	A172 W173 R178 Y179 A180 W181 G182 S183 L186 T206 I207	A172-Y176 PolarHBondContact O-N 3.48Å; A172-Y176 VanDerWaalsContact O-N 3.14Å; W173-Y176 HydrophobicContact CE3-CD1 4.49Å; W173-Y176 HydrophobicContact CZ3-CD1 4.38Å; W173-Y176 CarbonylContact O-C 3.52Å; W173-Y176 WeakPolarHBondContact O-CA 3.47Å; W173-Y176 WeakPolarHBondContact O-CB 3.41Å; W173-Y176 PolarHBondContact O-N 2.95Å; Y176-R178 VanDerWaalsContact C-N 3.25Å; Y176-R178 PolarHBondContact O-N 3.04Å; Y176-Y179 PolarHBondContact O-N 2.9Å; Y176-A180 HydrophobicContact CD2-CB 3.67Å; Y176-A180 HydrophobicContact CE2-CB 3.8Å; Y176-A180 WeakPolarHBondContact CE2-O 3.47Å; Y176-A180 HydrophobicContact CG-CB 4.46Å; Y176-A180 CarbonylContact O-C 3.55Å; Y176-A180 WeakPolarHBondContact O-CA 3.5Å; Y176-A180 PolarHBondContact O-N 3.36Å; Y176-A180 PolarHBondContact OH-O 3.3Å; Y176-W181 HydrophobicContact CD1-CE3 4.02Å; Y176-W181 HydrophobicContact CD1-CZ3 4.34Å; Y176-W181 AromaticContact CE1-CE3 3.54Å; Y176-W181 HydrophobicContact CE1-CE3 3.54Å; Y176-W181 AromaticContact CE1-CZ3 3.95Å; Y176-W181 HydrophobicContact CE1-CZ3 3.95Å; Y176-W181 PolarHBondContact O-N 3.23Å; Y176-G182 PolarHBondContact OH-N 3.48Å; Y176-S183 PolarHBondContact OH-O 3.22Å; Y176-L186 HydrophobicContact CD2-CB 4.14Å; Y176-T206 HydrophobicContact CD1-CG2 4.07Å; Y176-T206 HydrophobicContact CD2-CG2 3.64Å; Y176-T206 HydrophobicContact CE1-CG2 4.37Å; Y176-T206 HydrophobicContact CE2-CG2 3.97Å; Y176-T206 HydrophobicContact CG-CG2 3.72Å; Y176-I207 HydrophobicContact CE1-CD1 4.06Å; Y176-I207 HydrophobicContact CE1-CG1 3.49Å; Y176-I207 VanDerWaalsContact CE1-CG1 3.49Å; Y176-I207 WeakPolarHBondContact OH-CG1 3.31Å
177	Q	98.6	Very high	98.6	Very high	74 Å²	74	36.7 Å²	36.7	35%	0.346	16%	0.164	S	C	.	.	H	α-helix	trans	-63.1	-30.6	178.9	-173	173.4	-11.5	0	0	112.5	W173 W181	W173-Q177 PolarHBondContact O-N 2.86Å; Q177-W181 HydrophobicContact CB-CE3 4Å; Q177-W181 HydrophobicContact CB-CZ3 4.35Å; Q177-W181 HydrophobicContact CG-CD2 4.2Å; Q177-W181 HydrophobicContact CG-CE3 3.84Å; Q177-W181 HydrophobicContact CG-CZ3 4.16Å
178	R	98.7	Very high	98.6	Very high	186 Å²	186	33.1 Å²	33.1	70%	0.702	15%	0.148	S	C	*	.	H	α-helix	trans	-80	-34.3	177.9	-172.6	174.6	-176.2	-174.8	2.3	114.5	D174 S175 Y176	D174-R178 WeakPolarHBondContact O-CB 3.36Å; D174-R178 PolarHBondContact O-N 3.32Å; S175-R178 PolarHBondContact O-N 2.96Å; Y176-R178 VanDerWaalsContact C-N 3.25Å; Y176-R178 PolarHBondContact O-N 3.04Å
179	Y	98.8	Very high	98.6	Very high	48 Å²	48	37.1 Å²	37.1	19%	0.188	17%	0.172	C	C	.	.	H	α-helix	trans	-120.1	-15.3	-167.7	-59.8	-56.6	0	0	0	115.1	S175 Y176 K191 Q192 G193	S175-Y179 WeakPolarHBondContact O-CB 3.43Å; S175-Y179 WeakPolarHBondContact O-CD2 3.33Å; S175-Y179 PolarHBondContact O-N 2.81Å; Y176-Y179 PolarHBondContact O-N 2.9Å; Y179-K191 HydrophobicContact CD1-CB 3.75Å; Y179-K191 HydrophobicContact CD1-CG 4.38Å; Y179-K191 HydrophobicContact CD2-CB 4.27Å; Y179-K191 HydrophobicContact CD2-CG 4.24Å; Y179-K191 HydrophobicContact CE1-CB 3.99Å; Y179-K191 HydrophobicContact CE1-CD 4Å; Y179-K191 HydrophobicContact CE1-CG 4.27Å; Y179-K191 HydrophobicContact CE2-CD 4.16Å; Y179-K191 HydrophobicContact CE2-CG 4.13Å; Y179-K191 HydrophobicContact CG-CB 3.91Å; Y179-K191 HydrophobicContact CG-CG 4.37Å; Y179-Q192 CarbonylContact O-C 3.49Å; Y179-Q192 WeakPolarHBondContact O-CA 3.2Å; Y179-G193 PolarHBondContact O-N 3.49Å
180	A	98.5	Very high	98.6	Very high	3 Å²	3	40 Å²	40	3%	0.025	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	7.3	-169.3	0	0	0	0	0	114.9	Y176 G182 S183 L186	Y176-A180 HydrophobicContact CD2-CB 3.67Å; Y176-A180 HydrophobicContact CE2-CB 3.8Å; Y176-A180 WeakPolarHBondContact CE2-O 3.47Å; Y176-A180 HydrophobicContact CG-CB 4.46Å; Y176-A180 CarbonylContact O-C 3.55Å; Y176-A180 WeakPolarHBondContact O-CA 3.5Å; Y176-A180 PolarHBondContact O-N 3.36Å; Y176-A180 PolarHBondContact OH-O 3.3Å; A180-G182 PolarHBondContact O-N 3.43Å; A180-S183 WeakPolarHBondContact O-CA 3.32Å; A180-S183 WeakPolarHBondContact O-CB 3.4Å; A180-S183 PolarHBondContact O-N 3.5Å; A180-S183 PolarHBondContact O-OG 3.21Å; A180-L186 HydrophobicContact CB-CB 3.9Å; A180-L186 HydrophobicContact CB-CD1 3.82Å; A180-L186 HydrophobicContact CB-CG 4.47Å
181	W	98.6	Very high	98.5	Very high	87 Å²	87	39.8 Å²	39.8	33%	0.33	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	121.2	-174.8	-168.4	-121.1	0	0	0	114.2	W173 Y176 Q177 S183 I207 T225 W229	W173-W181 HydrophobicContact CH2-CH2 4.12Å; W173-W181 AromaticContact CH2-CZ3 3.67Å; W173-W181 HydrophobicContact CH2-CZ3 3.67Å; W173-W181 AromaticContact CZ2-CH2 3.83Å; W173-W181 HydrophobicContact CZ2-CH2 3.83Å; W173-W181 AromaticContact CZ2-CZ3 3.49Å; W173-W181 HydrophobicContact CZ2-CZ3 3.49Å; W173-W181 VanDerWaalsContact CZ2-CZ3 3.49Å; Y176-W181 HydrophobicContact CD1-CE3 4.02Å; Y176-W181 HydrophobicContact CD1-CZ3 4.34Å; Y176-W181 AromaticContact CE1-CE3 3.54Å; Y176-W181 HydrophobicContact CE1-CE3 3.54Å; Y176-W181 AromaticContact CE1-CZ3 3.95Å; Y176-W181 HydrophobicContact CE1-CZ3 3.95Å; Y176-W181 PolarHBondContact O-N 3.23Å; Q177-W181 HydrophobicContact CB-CE3 4Å; Q177-W181 HydrophobicContact CB-CZ3 4.35Å; Q177-W181 HydrophobicContact CG-CD2 4.2Å; Q177-W181 HydrophobicContact CG-CE3 3.84Å; Q177-W181 HydrophobicContact CG-CZ3 4.16Å; W181-S183 VanDerWaalsContact C-N 3.26Å; W181-S183 PolarHBondContact O-N 3.29Å; W181-I207 HydrophobicContact CD2-CD1 4.13Å; W181-I207 HydrophobicContact CE3-CD1 3.87Å; W181-I207 HydrophobicContact CE3-CG1 4.2Å; W181-I207 HydrophobicContact CH2-CD1 3.98Å; W181-I207 HydrophobicContact CH2-CG1 4.26Å; W181-I207 HydrophobicContact CZ2-CD1 4.24Å; W181-I207 HydrophobicContact CZ3-CD1 3.78Å; W181-I207 HydrophobicContact CZ3-CG1 3.83Å; W181-T225 HydrophobicContact CH2-CG2 3.98Å; W181-T225 HydrophobicContact CZ2-CG2 3.86Å; W181-W229 AromaticContact CE2-CD1 3.82Å; W181-W229 HydrophobicContact CH2-CB 4.41Å; W181-W229 HydrophobicContact CZ2-CB 3.75Å; W181-W229 HydrophobicContact CZ2-CG 4.07Å; W181-W229 AromaticContact NE1-CD1 3.56Å
182	G	97.3	Very high	98.5	Very high	10 Å²	10	42.8 Å²	42.8	10%	0.103	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	2.8	-176.6	0	0	0	0	0	115.5	Y176 A180 K203	Y176-G182 PolarHBondContact OH-N 3.48Å; A180-G182 PolarHBondContact O-N 3.43Å; G182-K203 WeakPolarHBondContact O-CB 3.38Å
183	S	98	Very high	98.4	Very high	32 Å²	32	44.1 Å²	44.1	22%	0.224	22%	0.219	C	C	.	.	S	Bend	trans	-79.8	167.6	160.1	-46	0	0	0	0	109.3	Y176 A180 W181 G204	Y176-S183 PolarHBondContact OH-O 3.22Å; A180-S183 WeakPolarHBondContact O-CA 3.32Å; A180-S183 WeakPolarHBondContact O-CB 3.4Å; A180-S183 PolarHBondContact O-N 3.5Å; A180-S183 PolarHBondContact O-OG 3.21Å; W181-S183 VanDerWaalsContact C-N 3.26Å; W181-S183 PolarHBondContact O-N 3.29Å; S183-G204 WeakPolarHBondContact O-CA 3.27Å; S183-G204 PolarHBondContact O-N 3.47Å
184	N	98.2	Very high	98.3	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-73.8	-41.6	178.4	-71.8	-35.8	0	0	0	111.9	H194 F199 I202 K203 G204 A205 T206	N184-H194 PolarHBondContact N-O 3.01Å; N184-F199 HydrophobicContact CB-CD2 3.75Å; N184-F199 HydrophobicContact CB-CE2 4.24Å; N184-I202 PolarHBondContact ND2-O 3.01Å; N184-I202 PolarHBondContact OD1-O 3.32Å; N184-K203 WeakPolarHBondContact OD1-CA 3.46Å; N184-G204 PolarHBondContact OD1-N 3.3Å; N184-A205 HydrophobicContact CB-CB 3.87Å; N184-A205 PolarHBondContact OD1-N 2.87Å; N184-T206 VanDerWaalsContact O-CB 3.31Å; N184-T206 WeakPolarHBondContact O-CB 3.46Å; N184-T206 PolarHBondContact O-N 3.3Å; N184-T206 PolarHBondContact O-OG1 3.22Å
185	E	98.6	Very high	97.9	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	178.2	-174.3	-68.1	155.4	89.7	0	0	109.8	H194 S196	E185-H194 HydrophobicContact CB-CB 3.86Å; E185-H194 PolarHBondContact N-O 3.43Å; E185-H194 PolarHBondContact O-N 2.87Å; E185-H194 IonicContact OE1-CD2 2.72Å; E185-H194 IonicContact OE2-CD2 2.68Å; E185-S196 WeakPolarHBondContact OE2-CB 3.18Å; E185-S196 PolarHBondContact OE2-N 3.35Å; E185-S196 VanDerWaalsContact OE2-N 3.16Å
186	L	98.8	Very high	97.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.1	-179.6	163.5	70.3	0	0	0	111.3	Y176 A180 P188 G549 Q568	Y176-L186 HydrophobicContact CD2-CB 4.14Å; A180-L186 HydrophobicContact CB-CB 3.9Å; A180-L186 HydrophobicContact CB-CD1 3.82Å; A180-L186 HydrophobicContact CB-CG 4.47Å; L186-P188 HydrophobicContact CG-CB 4.49Å; L186-P188 WeakPolarHBondContact O-CD 3.3Å; L186-G549 WeakPolarHBondContact CD2-O 3.46Å; L186-Q568 HydrophobicContact CB-CB 4.05Å; L186-Q568 HydrophobicContact CD2-CB 4.24Å; L186-Q568 HydrophobicContact CG-CB 4.29Å; L186-Q568 PolarHBondContact O-N 2.72Å
187	R	98.7	Very high	97	Very high	61 Å²	61	54.9 Å²	54.9	23%	0.23	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	97.7	163.5	-65.8	-162.8	155.7	-73.4	-14.4	109.2	K191 Q192 H194 D566	R187-K191 VanDerWaalsContact O-CA 3.26Å; R187-K191 WeakPolarHBondContact O-CA 3.23Å; R187-K191 PolarHBondContact O-N 3.06Å; R187-Q192 HydrophobicContact CB-CG 3.87Å; R187-Q192 VanDerWaalsContact CB-O 3.32Å; R187-Q192 WeakPolarHBondContact CB-O 3.45Å; R187-Q192 HydrophobicContact CG-CG 4.18Å; R187-Q192 PolarHBondContact N-O 3.3Å; R187-Q192 PolarHBondContact O-N 3.42Å; R187-H194 HydrophobicContact CG-CB 3.84Å; R187-H194 PolarHBondContact NH2-CE1 2.94Å; R187-H194 PolarHBondContact NH2-ND1 3.48Å; R187-D566 WeakPolarHBondContact CA-OD1 3.45Å; R187-D566 WeakPolarHBondContact CB-OD1 3.26Å; R187-D566 WeakPolarHBondContact CB-OD2 3.44Å; R187-D566 WeakPolarHBondContact CD-OD2 3.14Å; R187-D566 WeakPolarHBondContact CG-O 3.45Å; R187-D566 IonicContact CZ-OD2 3.37Å; R187-D566 PolarHBondContact NH1-O 3.28Å; R187-D566 IonicContact NH1-OD2 2.68Å; R187-D566 PolarHBondContact NH1-OD2 3.32Å
188	P	98.4	Very high	96.8	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.013	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-22.4	-168.8	32.3	-40	0	0	0	114.8	L186 L547 G549 Y551	L186-P188 HydrophobicContact CG-CB 4.49Å; L186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-L547 HydrophobicContact CB-CD1 4.14Å; P188-L547 HydrophobicContact CG-CD1 4.07Å; P188-G549 VanDerWaalsContact CA-O 3.24Å; P188-G549 WeakPolarHBondContact CA-O 3.29Å; P188-G549 WeakPolarHBondContact CB-O 3.37Å; P188-G549 WeakPolarHBondContact O-CA 3.48Å; P188-Y551 WeakPolarHBondContact CG-O 3.32Å
189	V	98.3	Very high	96.6	Very high	83 Å²	83	45 Å²	45	50%	0.503	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-46.8	172.6	-171.1	0	0	0	0	109.2	K191 L547 H564 D566	V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.09Å; V189-L547 HydrophobicContact CG2-CD1 3.56Å; V189-H564 HydrophobicContact CG2-CB 4.04Å; V189-D566 WeakPolarHBondContact CA-OD1 3.17Å; V189-D566 HydrophobicContact CB-CB 4.13Å; V189-D566 VanDerWaalsContact CB-OD1 3.23Å; V189-D566 WeakPolarHBondContact CB-OD1 3.19Å; V189-D566 HydrophobicContact CG2-CB 4.05Å; V189-D566 PolarHBondContact N-OD1 3.48Å
190	S	98.1	Very high	96.3	Very high	62 Å²	62	44.1 Å²	44.1	43%	0.434	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.9	-179.1	-60	0	0	0	0	114.3	Q192 D566	S190-Q192 PolarHBondContact O-N 3.21Å; S190-D566 WeakPolarHBondContact CB-OD2 3.33Å; S190-D566 PolarHBondContact N-OD1 3.14Å; S190-D566 PolarHBondContact OG-OD2 2.63Å
191	K	98.6	Very high	96.1	Very high	69 Å²	69	47.2 Å²	47.2	30%	0.3	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	51.9	-177.8	-64.3	178.4	-175.2	176	0	113.4	Y179 R187 V189 E548	Y179-K191 HydrophobicContact CD1-CB 3.75Å; Y179-K191 HydrophobicContact CD1-CG 4.38Å; Y179-K191 HydrophobicContact CD2-CB 4.27Å; Y179-K191 HydrophobicContact CD2-CG 4.24Å; Y179-K191 HydrophobicContact CE1-CB 3.99Å; Y179-K191 HydrophobicContact CE1-CD 4Å; Y179-K191 HydrophobicContact CE1-CG 4.27Å; Y179-K191 HydrophobicContact CE2-CD 4.16Å; Y179-K191 HydrophobicContact CE2-CG 4.13Å; Y179-K191 HydrophobicContact CG-CB 3.91Å; Y179-K191 HydrophobicContact CG-CG 4.37Å; R187-K191 VanDerWaalsContact O-CA 3.26Å; R187-K191 WeakPolarHBondContact O-CA 3.23Å; R187-K191 PolarHBondContact O-N 3.06Å; V189-K191 VanDerWaalsContact C-N 3.32Å; V189-K191 PolarHBondContact O-N 3.09Å; K191-E548 IonicContact NZ-OE1 3.49Å; K191-E548 PolarHBondContact NZ-OE1 2.9Å; K191-E548 IonicContact NZ-OE2 2.8Å; K191-E548 PolarHBondContact NZ-OE2 2.86Å
192	Q	98.1	Very high	95.9	Very high	101 Å²	101	43.2 Å²	43.2	47%	0.472	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	169.2	179.9	63.3	-178	-16.8	0	0	111.6	Y179 R187 S190	Y179-Q192 CarbonylContact O-C 3.49Å; Y179-Q192 WeakPolarHBondContact O-CA 3.2Å; R187-Q192 HydrophobicContact CB-CG 3.87Å; R187-Q192 VanDerWaalsContact CB-O 3.32Å; R187-Q192 WeakPolarHBondContact CB-O 3.45Å; R187-Q192 HydrophobicContact CG-CG 4.18Å; R187-Q192 PolarHBondContact N-O 3.3Å; R187-Q192 PolarHBondContact O-N 3.42Å; S190-Q192 PolarHBondContact O-N 3.21Å
193	G	97.6	Very high	95.9	Very high	28 Å²	28	48.8 Å²	48.8	29%	0.289	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	147.4	174.2	0	0	0	0	0	114.2	Y179	Y179-G193 PolarHBondContact O-N 3.49Å
194	H	95.9	Very high	95.9	Very high	43 Å²	43	47.3 Å²	47.3	20%	0.199	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.5	161.2	-170.9	50.7	0	0	0	110.5	N184 E185 R187	N184-H194 PolarHBondContact N-O 3.01Å; E185-H194 HydrophobicContact CB-CB 3.86Å; E185-H194 PolarHBondContact N-O 3.43Å; E185-H194 PolarHBondContact O-N 2.87Å; E185-H194 IonicContact OE1-CD2 2.72Å; E185-H194 IonicContact OE2-CD2 2.68Å; R187-H194 HydrophobicContact CG-CB 3.84Å; R187-H194 PolarHBondContact NH2-CE1 2.94Å; R187-H194 PolarHBondContact NH2-ND1 3.48Å
195	S	90.4	Very high	95.9	Very high	74 Å²	74	47.1 Å²	47.1	52%	0.517	27%	0.268	S	S	.	.			trans	-142.8	97.6	177.5	-64.9	0	0	0	0	108.4
196	S	89.6	Confident	95.9	Very high	28 Å²	28	46.9 Å²	46.9	20%	0.196	27%	0.267	C	S	.	.			trans	-61.8	142.5	168.6	-179.6	0	0	0	0	111.6	E185 L198 F199	E185-S196 WeakPolarHBondContact OE2-CB 3.18Å; E185-S196 PolarHBondContact OE2-N 3.35Å; E185-S196 VanDerWaalsContact OE2-N 3.16Å; S196-L198 PolarHBondContact O-N 3.35Å; S196-L198 VanDerWaalsContact O-N 3.16Å; S196-L198 VanDerWaalsContact OG-CG 3.32Å; S196-L198 WeakPolarHBondContact OG-CG 3.47Å; S196-L198 PolarHBondContact OG-N 3.22Å; S196-F199 PolarHBondContact O-N 3.37Å
197	N	90.1	Very high	95.9	Very high	153 Å²	153	46.9 Å²	46.9	82%	0.818	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-62.9	-18.2	175.9	-70.8	-27.7	0	0	0	112.7	F199 G200	N197-F199 PolarHBondContact O-N 3.05Å; N197-G200 PolarHBondContact O-N 3.07Å; N197-G200 VanDerWaalsContact O-N 3.15Å
198	L	93	Very high	95.9	Very high	48 Å²	48	44 Å²	44	25%	0.251	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.8	179.8	-61.6	173.6	0	0	0	112.5	S196 V242 S243 E246 W303	S196-L198 PolarHBondContact O-N 3.35Å; S196-L198 VanDerWaalsContact O-N 3.16Å; S196-L198 VanDerWaalsContact OG-CG 3.32Å; S196-L198 WeakPolarHBondContact OG-CG 3.47Å; S196-L198 PolarHBondContact OG-N 3.22Å; L198-V242 CarbonylContact O-C 3.58Å; L198-V242 WeakPolarHBondContact O-CA 3.15Å; L198-S243 PolarHBondContact O-N 3.1Å; L198-E246 HydrophobicContact CB-CB 4.41Å; L198-E246 HydrophobicContact CB-CG 4.14Å; L198-E246 HydrophobicContact CD1-CG 4.08Å; L198-E246 HydrophobicContact CD2-CG 4.28Å; L198-E246 HydrophobicContact CG-CG 4.38Å; L198-W303 HydrophobicContact CD2-CH2 3.85Å; L198-W303 HydrophobicContact CD2-CZ2 4.37Å
199	F	94.4	Very high	95.9	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-96.6	-0.9	-178.7	-46.2	-53.1	0	0	0	113.3	N184 S196 N197 S201 I202 A205 V242 E246 V247 F251	N184-F199 HydrophobicContact CB-CD2 3.75Å; N184-F199 HydrophobicContact CB-CE2 4.24Å; S196-F199 PolarHBondContact O-N 3.37Å; N197-F199 PolarHBondContact O-N 3.05Å; F199-S201 PolarHBondContact O-N 3.4Å; F199-I202 WeakPolarHBondContact O-CB 3.37Å; F199-I202 WeakPolarHBondContact O-CG1 3.37Å; F199-I202 PolarHBondContact O-N 3Å; F199-A205 HydrophobicContact CD2-CB 4.25Å; F199-A205 HydrophobicContact CE2-CB 4.01Å; F199-A205 HydrophobicContact CZ-CB 4.22Å; F199-V242 WeakPolarHBondContact O-CG1 3.42Å; F199-E246 HydrophobicContact CE1-CB 4.12Å; F199-V247 HydrophobicContact CD1-CG2 4.34Å; F199-F251 AromaticContact CD1-CE2 3.79Å; F199-F251 HydrophobicContact CD1-CE2 3.79Å; F199-F251 HydrophobicContact CE1-CE2 4.22Å; F199-F251 HydrophobicContact CG-CE2 4.24Å
200	G	92.7	Very high	96	Very high	31 Å²	31	39.9 Å²	39.9	32%	0.32	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-90	178.8	0	0	0	0	0	114.2	N197 E241	N197-G200 PolarHBondContact O-N 3.07Å; N197-G200 VanDerWaalsContact O-N 3.15Å; G200-E241 WeakPolarHBondContact CA-O 3.44Å
201	S	94.1	Very high	96	Very high	68 Å²	68	37 Å²	37	48%	0.476	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	12.7	175.1	-63.7	0	0	0	0	113.5	F199 A240	F199-S201 PolarHBondContact O-N 3.4Å; S201-A240 WeakPolarHBondContact OG-CB 3.26Å
202	I	95.4	Very high	96	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	20%	0.196	C	C	.	.			trans	-62.3	153.6	160.8	-50.5	171.2	0	0	0	107.8	N184 F199 L234 F236 V238 V242 V247 F251 L295	N184-I202 PolarHBondContact ND2-O 3.01Å; N184-I202 PolarHBondContact OD1-O 3.32Å; F199-I202 WeakPolarHBondContact O-CB 3.37Å; F199-I202 WeakPolarHBondContact O-CG1 3.37Å; F199-I202 PolarHBondContact O-N 3Å; I202-L234 HydrophobicContact CG2-CD1 4.16Å; I202-F236 HydrophobicContact CG2-CD1 4.4Å; I202-F236 HydrophobicContact CG2-CE1 4.38Å; I202-V238 HydrophobicContact CG1-CG2 4.09Å; I202-V242 HydrophobicContact CD1-CG1 3.98Å; I202-V242 HydrophobicContact CG1-CG1 4.22Å; I202-V247 HydrophobicContact CD1-CB 4.49Å; I202-V247 HydrophobicContact CD1-CG1 3.83Å; I202-V247 HydrophobicContact CD1-CG2 3.72Å; I202-F251 HydrophobicContact CB-CZ 4.32Å; I202-F251 HydrophobicContact CG2-CD1 4.08Å; I202-F251 HydrophobicContact CG2-CE1 3.43Å; I202-F251 VanDerWaalsContact CG2-CE1 3.43Å; I202-F251 HydrophobicContact CG2-CE2 4.25Å; I202-F251 HydrophobicContact CG2-CZ 3.52Å; I202-L295 HydrophobicContact CD1-CD1 3.86Å; I202-L295 HydrophobicContact CG1-CD1 4.19Å
203	K	96.8	Very high	96	Very high	128 Å²	128	28.9 Å²	28.9	56%	0.557	17%	0.174	S	C	*	.			trans	-123.1	156.6	-179	-76.4	-175.8	179.3	-178.1	0	111.3	G182 N184 W229 L234	G182-K203 WeakPolarHBondContact O-CB 3.38Å; N184-K203 WeakPolarHBondContact OD1-CA 3.46Å; K203-W229 HydrophobicContact CB-CH2 3.91Å; K203-W229 HydrophobicContact CB-CZ2 4.1Å; K203-W229 WeakPolarHBondContact O-CH2 3.06Å; K203-L234 WeakPolarHBondContact O-CD1 3.34Å
204	G	97.8	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.			trans	76.6	29.9	167.8	0	0	0	0	0	115.8	S183 N184 T206 I207 V208	S183-G204 WeakPolarHBondContact O-CA 3.27Å; S183-G204 PolarHBondContact O-N 3.47Å; N184-G204 PolarHBondContact OD1-N 3.3Å; G204-T206 PolarHBondContact O-N 3.25Å; G204-I207 WeakPolarHBondContact O-CA 3.31Å; G204-I207 WeakPolarHBondContact O-CB 3.33Å; G204-I207 PolarHBondContact O-N 3.22Å; G204-V208 PolarHBondContact O-N 3.2Å
205	A	98.5	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-48.3	-56.2	173.8	0	0	0	0	0	111.9	N184 F199 I207 V208 D209 F251	N184-A205 HydrophobicContact CB-CB 3.87Å; N184-A205 PolarHBondContact OD1-N 2.87Å; F199-A205 HydrophobicContact CD2-CB 4.25Å; F199-A205 HydrophobicContact CE2-CB 4.01Å; F199-A205 HydrophobicContact CZ-CB 4.22Å; A205-I207 PolarHBondContact O-N 3.4Å; A205-V208 PolarHBondContact O-N 3.24Å; A205-D209 VanDerWaalsContact O-CB 3.3Å; A205-D209 WeakPolarHBondContact O-CB 3.48Å; A205-D209 PolarHBondContact O-N 2.89Å; A205-D209 VanDerWaalsContact O-OD1 3.06Å; A205-F251 VanDerWaalsContact CA-CZ 3.44Å; A205-F251 HydrophobicContact CB-CE2 3.79Å; A205-F251 HydrophobicContact CB-CZ 3.64Å
206	T	98.8	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-22.7	175.7	-60.7	0	0	0	0	114	Y176 N184 G204 A210 S570 L573	Y176-T206 HydrophobicContact CD1-CG2 4.07Å; Y176-T206 HydrophobicContact CD2-CG2 3.64Å; Y176-T206 HydrophobicContact CE1-CG2 4.37Å; Y176-T206 HydrophobicContact CE2-CG2 3.97Å; Y176-T206 HydrophobicContact CG-CG2 3.72Å; N184-T206 VanDerWaalsContact O-CB 3.31Å; N184-T206 WeakPolarHBondContact O-CB 3.46Å; N184-T206 PolarHBondContact O-N 3.3Å; N184-T206 PolarHBondContact O-OG1 3.22Å; G204-T206 PolarHBondContact O-N 3.25Å; T206-A210 WeakPolarHBondContact O-CB 3.47Å; T206-A210 PolarHBondContact O-N 2.81Å; T206-S570 WeakPolarHBondContact OG1-CB 3.49Å; T206-L573 HydrophobicContact CG2-CD1 4.23Å; T206-L573 HydrophobicContact CG2-CD2 4.05Å
207	I	98.9	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73	-49.3	172.7	-64.4	174.1	0	0	0	110	W173 Y176 W181 G204 A205 L211 A226 W229 V230	W173-I207 HydrophobicContact CH2-CG1 4.35Å; W173-I207 HydrophobicContact CH2-CG2 4.49Å; Y176-I207 HydrophobicContact CE1-CD1 4.06Å; Y176-I207 HydrophobicContact CE1-CG1 3.49Å; Y176-I207 VanDerWaalsContact CE1-CG1 3.49Å; Y176-I207 WeakPolarHBondContact OH-CG1 3.31Å; W181-I207 HydrophobicContact CD2-CD1 4.13Å; W181-I207 HydrophobicContact CE3-CD1 3.87Å; W181-I207 HydrophobicContact CE3-CG1 4.2Å; W181-I207 HydrophobicContact CH2-CD1 3.98Å; W181-I207 HydrophobicContact CH2-CG1 4.26Å; W181-I207 HydrophobicContact CZ2-CD1 4.24Å; W181-I207 HydrophobicContact CZ3-CD1 3.78Å; W181-I207 HydrophobicContact CZ3-CG1 3.83Å; G204-I207 WeakPolarHBondContact O-CA 3.31Å; G204-I207 WeakPolarHBondContact O-CB 3.33Å; G204-I207 PolarHBondContact O-N 3.22Å; A205-I207 PolarHBondContact O-N 3.4Å; I207-L211 WeakPolarHBondContact O-CG 3.5Å; I207-L211 PolarHBondContact O-N 3.41Å; I207-A226 HydrophobicContact CG2-CB 3.85Å; I207-W229 HydrophobicContact CB-CE3 4.27Å; I207-W229 HydrophobicContact CD1-CB 4.42Å; I207-W229 HydrophobicContact CD1-CD2 3.41Å; I207-W229 VanDerWaalsContact CD1-CD2 3.41Å; I207-W229 HydrophobicContact CD1-CE3 3.67Å; I207-W229 HydrophobicContact CD1-CG 3.74Å; I207-W229 HydrophobicContact CD1-CZ2 4.28Å; I207-W229 HydrophobicContact CD1-CZ3 4.21Å; I207-W229 HydrophobicContact CG2-CD2 4.48Å; I207-W229 HydrophobicContact CG2-CE3 3.91Å; I207-V230 HydrophobicContact CG2-CG2 4.16Å
208	V	98.9	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70	-45.5	-177.5	178	0	0	0	0	111	G204 A205 A210 L211 V230 L234 F251 L255	G204-V208 PolarHBondContact O-N 3.2Å; A205-V208 PolarHBondContact O-N 3.24Å; V208-A210 PolarHBondContact O-N 3.05Å; V208-L211 HydrophobicContact CG1-CD1 4.39Å; V208-L211 WeakPolarHBondContact O-CB 3.39Å; V208-L211 WeakPolarHBondContact O-CG 3.34Å; V208-L211 PolarHBondContact O-N 3.3Å; V208-L211 VanDerWaalsContact O-N 3.14Å; V208-V230 HydrophobicContact CG2-CG2 4.19Å; V208-L234 HydrophobicContact CG2-CD2 3.97Å; V208-F251 HydrophobicContact CB-CD1 4.19Å; V208-F251 HydrophobicContact CB-CE1 4.48Å; V208-F251 HydrophobicContact CG1-CD1 4.31Å; V208-F251 HydrophobicContact CG2-CD1 3.93Å; V208-F251 HydrophobicContact CG2-CE1 4.09Å; V208-L255 HydrophobicContact CG1-CD2 4.16Å; V208-L255 HydrophobicContact CG1-CG 3.83Å
209	D	98.8	Very high	97.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.3	-21.8	-176.4	-55.4	-0.6	0	0	0	112.1	A205 R250 S570 A574 H602	A205-D209 VanDerWaalsContact O-CB 3.3Å; A205-D209 WeakPolarHBondContact O-CB 3.48Å; A205-D209 PolarHBondContact O-N 2.89Å; A205-D209 VanDerWaalsContact O-OD1 3.06Å; D209-R250 WeakPolarHBondContact OD1-CB 3.48Å; D209-S570 WeakPolarHBondContact OD2-CB 3.42Å; D209-S570 PolarHBondContact OD2-OG 2.98Å; D209-A574 HydrophobicContact CB-CB 3.89Å; D209-A574 WeakPolarHBondContact O-CA 3.21Å; D209-A574 VanDerWaalsContact O-CB 3.23Å; D209-A574 WeakPolarHBondContact O-CB 3.29Å; D209-H602 PolarHBondContact O-CE1 2.82Å
210	A	98.9	Very high	97.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-11	175.9	0	0	0	0	0	114.2	M169 W173 T206 V208 D212 T213 L214 L573	M169-A210 HydrophobicContact CE-CB 3.93Å; W173-A210 HydrophobicContact CE3-CB 3.99Å; W173-A210 HydrophobicContact CZ3-CB 3.71Å; T206-A210 WeakPolarHBondContact O-CB 3.47Å; T206-A210 PolarHBondContact O-N 2.81Å; V208-A210 PolarHBondContact O-N 3.05Å; A210-D212 VanDerWaalsContact C-N 3.34Å; A210-D212 PolarHBondContact O-N 3.32Å; A210-T213 PolarHBondContact O-N 2.89Å; A210-L214 HydrophobicContact CB-CD1 4.25Å; A210-L214 HydrophobicContact CB-CG 4.32Å; A210-L214 WeakPolarHBondContact O-CB 3.5Å; A210-L214 VanDerWaalsContact O-CG 3.25Å; A210-L214 WeakPolarHBondContact O-CG 3.03Å; A210-L214 PolarHBondContact O-N 3.48Å; A210-L573 HydrophobicContact CB-CB 4.25Å; A210-L573 HydrophobicContact CB-CD2 4.32Å
211	L	98.9	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-54.3	-47.9	-171.1	-78.4	169.9	0	0	0	112.8	I207 V208 Y215 F223 A226 L255 A258 F267	I207-L211 WeakPolarHBondContact O-CG 3.5Å; I207-L211 PolarHBondContact O-N 3.41Å; V208-L211 HydrophobicContact CG1-CD1 4.39Å; V208-L211 WeakPolarHBondContact O-CB 3.39Å; V208-L211 WeakPolarHBondContact O-CG 3.34Å; V208-L211 PolarHBondContact O-N 3.3Å; V208-L211 VanDerWaalsContact O-N 3.14Å; L211-Y215 WeakPolarHBondContact O-CB 3.42Å; L211-Y215 PolarHBondContact O-N 3.16Å; L211-Y215 VanDerWaalsContact O-N 3.09Å; L211-F223 HydrophobicContact CB-CE2 4.2Å; L211-F223 HydrophobicContact CD2-CD2 4.07Å; L211-F223 HydrophobicContact CD2-CE2 3.98Å; L211-F223 WeakPolarHBondContact O-CD2 3.44Å; L211-F223 WeakPolarHBondContact O-CE2 3.48Å; L211-A226 HydrophobicContact CD2-CB 3.6Å; L211-L255 HydrophobicContact CD1-CD2 4.35Å; L211-A258 HydrophobicContact CB-CB 3.77Å; L211-A258 HydrophobicContact CD1-CB 3.71Å; L211-A258 HydrophobicContact CG-CB 4.3Å; L211-F267 HydrophobicContact CD1-CD1 3.89Å; L211-F267 HydrophobicContact CD1-CE1 3.51Å; L211-F267 HydrophobicContact CD1-CZ 4.13Å; L211-F267 HydrophobicContact CD2-CE1 3.9Å; L211-F267 HydrophobicContact CD2-CZ 3.89Å; L211-F267 HydrophobicContact CG-CE1 4.37Å
212	D	98.8	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-75.8	-38.3	-178.6	58.2	-1.7	0	0	0	112.3	A210 L214 Y215 I216 L261 K578 H602 P603	A210-D212 VanDerWaalsContact C-N 3.34Å; A210-D212 PolarHBondContact O-N 3.32Å; D212-L214 PolarHBondContact O-N 2.84Å; D212-Y215 PolarHBondContact O-N 3.03Å; D212-I216 WeakPolarHBondContact O-CG1 3.45Å; D212-I216 WeakPolarHBondContact O-CG2 3.39Å; D212-I216 PolarHBondContact O-N 2.95Å; D212-L261 HydrophobicContact CB-CD1 3.51Å; D212-K578 WeakPolarHBondContact OD1-CE 3.5Å; D212-K578 IonicContact OD1-NZ 2.72Å; D212-K578 PolarHBondContact OD1-NZ 2.89Å; D212-K578 IonicContact OD2-NZ 2.67Å; D212-K578 PolarHBondContact OD2-NZ 2.77Å; D212-H602 IonicContact OD1-CE1 3.67Å; D212-H602 IonicContact OD1-ND1 2.67Å; D212-H602 PolarHBondContact OD1-ND1 3.45Å; D212-H602 WeakPolarHBondContact OD2-CA 3.47Å; D212-H602 IonicContact OD2-CE1 2.69Å; D212-H602 IonicContact OD2-CG 2.65Å; D212-H602 IonicContact OD2-ND1 2.65Å; D212-H602 PolarHBondContact OD2-ND1 2.97Å; D212-P603 WeakPolarHBondContact OD2-CD 3.35Å
213	T	98.9	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-48.6	171.7	-53.3	0	0	0	0	111.3	M169 A210 Y215 I216 M217 L573 A574 K578	M169-T213 HydrophobicContact CE-CG2 3.6Å; M169-T213 HydrophobicContact CG-CG2 4.33Å; M169-T213 HydrophobicContact SD-CG2 3.81Å; A210-T213 PolarHBondContact O-N 2.89Å; T213-Y215 VanDerWaalsContact C-N 3.3Å; T213-Y215 PolarHBondContact O-N 2.77Å; T213-I216 PolarHBondContact O-N 3.43Å; T213-M217 HydrophobicContact CG2-CE 3.38Å; T213-M217 HydrophobicContact CG2-CG 4.31Å; T213-M217 HydrophobicContact CG2-SD 4.06Å; T213-M217 VanDerWaalsContact O-CB 3.29Å; T213-M217 WeakPolarHBondContact O-CB 3.46Å; T213-M217 VanDerWaalsContact O-CG 3.26Å; T213-M217 WeakPolarHBondContact O-CG 3.43Å; T213-M217 PolarHBondContact O-N 3.5Å; T213-L573 WeakPolarHBondContact CB-O 3.03Å; T213-L573 VanDerWaalsContact CG2-O 3.3Å; T213-L573 WeakPolarHBondContact CG2-O 3.47Å; T213-L573 PolarHBondContact OG1-O 3.36Å; T213-A574 PolarHBondContact OG1-O 2.93Å; T213-K578 HydrophobicContact CG2-CB 4.35Å; T213-K578 WeakPolarHBondContact OG1-CE 2.95Å
214	L	98.9	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-42.9	176	-69.4	172.4	0	0	0	111.1	M169 W173 A210 D212 E218 M219 E222 F223 A226	M169-L214 HydrophobicContact CE-CD2 3.62Å; M169-L214 HydrophobicContact CE-CG 3.82Å; W173-L214 HydrophobicContact CD2-CD1 4.11Å; W173-L214 HydrophobicContact CD2-CD2 4.21Å; W173-L214 HydrophobicContact CE3-CD1 4.01Å; W173-L214 HydrophobicContact CE3-CD2 4.5Å; W173-L214 HydrophobicContact CG-CD2 4.29Å; W173-L214 HydrophobicContact CH2-CD1 3.76Å; W173-L214 HydrophobicContact CZ2-CD1 3.87Å; W173-L214 HydrophobicContact CZ3-CD1 3.85Å; A210-L214 HydrophobicContact CB-CD1 4.25Å; A210-L214 HydrophobicContact CB-CG 4.32Å; A210-L214 WeakPolarHBondContact O-CB 3.5Å; A210-L214 VanDerWaalsContact O-CG 3.25Å; A210-L214 WeakPolarHBondContact O-CG 3.03Å; A210-L214 PolarHBondContact O-N 3.48Å; D212-L214 PolarHBondContact O-N 2.84Å; L214-E218 PolarHBondContact O-N 2.83Å; L214-M219 HydrophobicContact CB-CB 4.24Å; L214-M219 HydrophobicContact CD2-CB 3.84Å; L214-M219 HydrophobicContact CD2-CE 3.58Å; L214-M219 HydrophobicContact CD2-CG 4.46Å; L214-M219 HydrophobicContact CD2-SD 3.88Å; L214-M219 WeakPolarHBondContact O-CA 3.37Å; L214-M219 WeakPolarHBondContact O-CB 3.39Å; L214-M219 PolarHBondContact O-N 3.3Å; L214-E222 HydrophobicContact CD1-CB 4.05Å; L214-E222 HydrophobicContact CD2-CB 3.8Å; L214-E222 HydrophobicContact CD2-CG 4.43Å; L214-E222 HydrophobicContact CG-CB 4.45Å; L214-F223 HydrophobicContact CB-CB 4.3Å; L214-A226 HydrophobicContact CD1-CB 4.45Å
215	Y	98.6	Very high	98.6	Very high	15 Å²	15	25.9 Å²	25.9	6%	0.059	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-51	179.6	-167.6	-83.4	0	0	0	112.5	R144 T149 L211 D212 T213 M217 E218 F220 F223 L261	R144-Y215 PolarHBondContact NH1-OH 2.86Å; R144-Y215 PolarHBondContact NH2-OH 2.67Å; T149-Y215 HydrophobicContact CG2-CE1 3.97Å; L211-Y215 WeakPolarHBondContact O-CB 3.42Å; L211-Y215 PolarHBondContact O-N 3.16Å; L211-Y215 VanDerWaalsContact O-N 3.09Å; D212-Y215 PolarHBondContact O-N 3.03Å; T213-Y215 VanDerWaalsContact C-N 3.3Å; T213-Y215 PolarHBondContact O-N 2.77Å; Y215-M217 VanDerWaalsContact C-N 3.32Å; Y215-M217 PolarHBondContact O-N 2.69Å; Y215-E218 PolarHBondContact O-N 2.86Å; Y215-F220 HydrophobicContact CD2-CD1 4.33Å; Y215-F220 HydrophobicContact CD2-CE1 4.08Å; Y215-F220 HydrophobicContact CE1-CE1 4.48Å; Y215-F220 HydrophobicContact CE2-CD1 4.42Å; Y215-F220 HydrophobicContact CE2-CE1 4.03Å; Y215-F220 HydrophobicContact CG-CE1 4.33Å; Y215-F223 AromaticContact CD2-CD1 3.95Å; Y215-F223 HydrophobicContact CD2-CD1 3.95Å; Y215-F223 HydrophobicContact CD2-CD2 4.17Å; Y215-F223 AromaticContact CD2-CE1 3.74Å; Y215-F223 HydrophobicContact CD2-CE1 3.74Å; Y215-F223 AromaticContact CD2-CE2 3.97Å; Y215-F223 HydrophobicContact CD2-CE2 3.97Å; Y215-F223 HydrophobicContact CD2-CG 4.14Å; Y215-F223 AromaticContact CD2-CZ 3.75Å; Y215-F223 HydrophobicContact CD2-CZ 3.75Å; Y215-F223 HydrophobicContact CE2-CE1 4.18Å; Y215-F223 HydrophobicContact CE2-CZ 4.41Å; Y215-F223 HydrophobicContact CG-CE2 4.5Å; Y215-L261 HydrophobicContact CD1-CB 3.69Å; Y215-L261 HydrophobicContact CD1-CD1 4.19Å; Y215-L261 HydrophobicContact CD1-CD2 4.46Å; Y215-L261 HydrophobicContact CD1-CG 4.34Å; Y215-L261 HydrophobicContact CE1-CB 3.85Å; Y215-L261 HydrophobicContact CG-CB 4.13Å; Y215-L261 PolarHBondContact OH-O 3.48Å
216	I	98.3	Very high	98.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-73.4	-23.4	-177.3	72.5	165.8	0	0	0	113.4	D212 T213 E218 L261 K578 L582 H589 L590	D212-I216 WeakPolarHBondContact O-CG1 3.45Å; D212-I216 WeakPolarHBondContact O-CG2 3.39Å; D212-I216 PolarHBondContact O-N 2.95Å; T213-I216 PolarHBondContact O-N 3.43Å; I216-E218 PolarHBondContact O-N 3.26Å; I216-L261 HydrophobicContact CG2-CD1 3.95Å; I216-L261 HydrophobicContact CG2-CD2 4.27Å; I216-K578 HydrophobicContact CD1-CG 3.9Å; I216-L582 HydrophobicContact CD1-CD1 4.5Å; I216-L582 HydrophobicContact CD1-CD2 4.22Å; I216-L582 HydrophobicContact CD1-CG 4.33Å; I216-H589 PolarHBondContact O-CE1 2.82Å; I216-H589 VanDerWaalsContact O-CE1 3.32Å; I216-L590 HydrophobicContact CD1-CD1 4Å; I216-L590 HydrophobicContact CG2-CD1 4.2Å
217	M	98.3	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.4	170.4	-68.1	-165.4	-168.1	0	0	112.8	I165 K166 M169 T213 Y215 M219 L577 Y581	I165-M217 HydrophobicContact CG2-CE 4.22Å; K166-M217 HydrophobicContact CB-SD 4.47Å; K166-M217 VanDerWaalsContact CD-O 3.29Å; K166-M217 WeakPolarHBondContact CD-O 3.18Å; K166-M217 WeakPolarHBondContact CE-O 3.22Å; K166-M217 HydrophobicContact CG-CB 4.48Å; K166-M217 PolarHBondContact NZ-O 3.48Å; M169-M217 HydrophobicContact CB-CE 4.07Å; M169-M217 HydrophobicContact CB-SD 3.53Å; M169-M217 VanDerWaalsContact CB-SD 3.53Å; M169-M217 HydrophobicContact CG-CE 4.24Å; M169-M217 HydrophobicContact CG-SD 3.66Å; T213-M217 HydrophobicContact CG2-CE 3.38Å; T213-M217 HydrophobicContact CG2-CG 4.31Å; T213-M217 HydrophobicContact CG2-SD 4.06Å; T213-M217 VanDerWaalsContact O-CB 3.29Å; T213-M217 WeakPolarHBondContact O-CB 3.46Å; T213-M217 VanDerWaalsContact O-CG 3.26Å; T213-M217 WeakPolarHBondContact O-CG 3.43Å; T213-M217 PolarHBondContact O-N 3.5Å; Y215-M217 VanDerWaalsContact C-N 3.32Å; Y215-M217 PolarHBondContact O-N 2.69Å; M217-M219 HydrophobicContact CB-CG 4.13Å; M217-M219 HydrophobicContact CB-SD 4.2Å; M217-M219 PolarHBondContact O-N 3.14Å; M217-M219 HydrophobicContact SD-SD 4.47Å; M217-L577 HydrophobicContact CE-CB 4.06Å; M217-L577 VanDerWaalsContact CE-O 3.31Å; M217-L577 WeakPolarHBondContact CE-O 3.34Å; M217-Y581 HydrophobicContact CB-CE2 4.3Å; M217-Y581 HydrophobicContact CE-CD2 4Å; M217-Y581 HydrophobicContact CE-CG 3.98Å; M217-Y581 HydrophobicContact CG-CD1 4.11Å; M217-Y581 HydrophobicContact CG-CD2 3.72Å; M217-Y581 HydrophobicContact CG-CE1 4.22Å; M217-Y581 HydrophobicContact CG-CE2 3.82Å; M217-Y581 HydrophobicContact CG-CG 3.86Å; M217-Y581 HydrophobicContact SD-CD2 3.93Å; M217-Y581 HydrophobicContact SD-CE2 4.35Å; M217-Y581 HydrophobicContact SD-CG 4.36Å
218	E	97.4	Very high	98.6	Very high	93 Å²	93	30.2 Å²	30.2	44%	0.435	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	46	-175.2	-50.2	178.4	137	0	0	112.3	K166 L214 Y215 I216 F220	K166-E218 PolarHBondContact NZ-O 2.97Å; L214-E218 PolarHBondContact O-N 2.83Å; Y215-E218 PolarHBondContact O-N 2.86Å; I216-E218 PolarHBondContact O-N 3.26Å; E218-F220 HydrophobicContact CB-CD2 4.29Å; E218-F220 HydrophobicContact CB-CE2 3.66Å; E218-F220 HydrophobicContact CB-CZ 3.97Å; E218-F220 HydrophobicContact CG-CE2 4.02Å; E218-F220 HydrophobicContact CG-CZ 4Å
219	M	98.4	Very high	98.6	Very high	6 Å²	6	31 Å²	31	3%	0.03	15%	0.15	C	C	.	.			trans	-102.4	61	172.4	-64.9	179.5	60.6	0	0	108.6	K166 M169 K170 L214 M217 E221 E222 F223	K166-M219 HydrophobicContact CG-CG 4.44Å; K166-M219 HydrophobicContact CG-SD 4.27Å; M169-M219 HydrophobicContact CB-SD 4.2Å; M169-M219 HydrophobicContact CG-CE 4.27Å; M169-M219 HydrophobicContact CG-SD 3.69Å; K170-M219 HydrophobicContact CB-CE 4.21Å; K170-M219 HydrophobicContact CD-CE 3.8Å; L214-M219 HydrophobicContact CB-CB 4.24Å; L214-M219 HydrophobicContact CD2-CB 3.84Å; L214-M219 HydrophobicContact CD2-CE 3.58Å; L214-M219 HydrophobicContact CD2-CG 4.46Å; L214-M219 HydrophobicContact CD2-SD 3.88Å; L214-M219 WeakPolarHBondContact O-CA 3.37Å; L214-M219 WeakPolarHBondContact O-CB 3.39Å; L214-M219 PolarHBondContact O-N 3.3Å; M217-M219 HydrophobicContact CB-CG 4.13Å; M217-M219 HydrophobicContact CB-SD 4.2Å; M217-M219 PolarHBondContact O-N 3.14Å; M217-M219 HydrophobicContact SD-SD 4.47Å; M219-E221 PolarHBondContact O-N 3.46Å; M219-E222 VanDerWaalsContact C-OE2 3.29Å; M219-E222 WeakPolarHBondContact CA-OE2 3.42Å; M219-E222 HydrophobicContact CB-CB 4.32Å; M219-E222 WeakPolarHBondContact CB-OE2 3.44Å; M219-E222 HydrophobicContact CE-CG 3.99Å; M219-E222 PolarHBondContact O-N 3.44Å; M219-F223 WeakPolarHBondContact O-CB 3.45Å; M219-F223 PolarHBondContact O-N 3Å
220	F	98.3	Very high	98.6	Very high	86 Å²	86	31 Å²	31	38%	0.377	15%	0.15	S	C	.	.	H	α-helix	trans	-70.8	-30.6	-167.7	-61.2	-57.2	0	0	0	113.3	Y215 E218 F223 E224	Y215-F220 HydrophobicContact CD2-CD1 4.33Å; Y215-F220 HydrophobicContact CD2-CE1 4.08Å; Y215-F220 HydrophobicContact CE1-CE1 4.48Å; Y215-F220 HydrophobicContact CE2-CD1 4.42Å; Y215-F220 HydrophobicContact CE2-CE1 4.03Å; Y215-F220 HydrophobicContact CG-CE1 4.33Å; E218-F220 HydrophobicContact CB-CD2 4.29Å; E218-F220 HydrophobicContact CB-CE2 3.66Å; E218-F220 HydrophobicContact CB-CZ 3.97Å; E218-F220 HydrophobicContact CG-CE2 4.02Å; E218-F220 HydrophobicContact CG-CZ 4Å; F220-F223 PolarHBondContact O-N 2.86Å; F220-E224 WeakPolarHBondContact O-CG 3.09Å; F220-E224 PolarHBondContact O-N 3.48Å
221	E	98.6	Very high	98.6	Very high	163 Å²	163	35.9 Å²	35.9	76%	0.762	17%	0.172	S	C	*	.	H	α-helix	trans	-68.1	-40.1	176.6	-63.1	-174.1	-179.1	0	0	111.5	M219 T225	M219-E221 PolarHBondContact O-N 3.46Å; E221-T225 WeakPolarHBondContact O-CB 3.33Å; E221-T225 PolarHBondContact O-N 2.89Å; E221-T225 PolarHBondContact O-OG1 3.22Å
222	E	98.8	Very high	98.5	Very high	24 Å²	24	42.2 Å²	42.2	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-42.5	171.7	-63.3	86.1	166.6	0	0	111.5	K170 L214 M219 T225 A226	K170-E222 WeakPolarHBondContact CD-OE1 3.26Å; K170-E222 VanDerWaalsContact CE-OE1 3.3Å; K170-E222 WeakPolarHBondContact CE-OE1 3.25Å; K170-E222 IonicContact NZ-OE1 3.54Å; K170-E222 PolarHBondContact NZ-OE1 3.36Å; L214-E222 HydrophobicContact CD1-CB 4.05Å; L214-E222 HydrophobicContact CD2-CB 3.8Å; L214-E222 HydrophobicContact CD2-CG 4.43Å; L214-E222 HydrophobicContact CG-CB 4.45Å; M219-E222 VanDerWaalsContact C-OE2 3.29Å; M219-E222 WeakPolarHBondContact CA-OE2 3.42Å; M219-E222 HydrophobicContact CB-CB 4.32Å; M219-E222 WeakPolarHBondContact CB-OE2 3.44Å; M219-E222 HydrophobicContact CE-CG 3.99Å; M219-E222 PolarHBondContact O-N 3.44Å; E222-T225 WeakPolarHBondContact O-CB 3.48Å; E222-T225 PolarHBondContact O-N 3Å; E222-A226 WeakPolarHBondContact O-CB 3.29Å; E222-A226 PolarHBondContact O-N 3.48Å
223	F	98.8	Very high	98.5	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-41.9	176.4	178.6	-99.8	0	0	0	113.1	L211 L214 Y215 M219 F220 A226 T227 K264 F267	L211-F223 HydrophobicContact CB-CE2 4.2Å; L211-F223 HydrophobicContact CD2-CD2 4.07Å; L211-F223 HydrophobicContact CD2-CE2 3.98Å; L211-F223 WeakPolarHBondContact O-CD2 3.44Å; L211-F223 WeakPolarHBondContact O-CE2 3.48Å; L214-F223 HydrophobicContact CB-CB 4.3Å; Y215-F223 AromaticContact CD2-CD1 3.95Å; Y215-F223 HydrophobicContact CD2-CD1 3.95Å; Y215-F223 HydrophobicContact CD2-CD2 4.17Å; Y215-F223 AromaticContact CD2-CE1 3.74Å; Y215-F223 HydrophobicContact CD2-CE1 3.74Å; Y215-F223 AromaticContact CD2-CE2 3.97Å; Y215-F223 HydrophobicContact CD2-CE2 3.97Å; Y215-F223 HydrophobicContact CD2-CG 4.14Å; Y215-F223 AromaticContact CD2-CZ 3.75Å; Y215-F223 HydrophobicContact CD2-CZ 3.75Å; Y215-F223 HydrophobicContact CE2-CE1 4.18Å; Y215-F223 HydrophobicContact CE2-CZ 4.41Å; Y215-F223 HydrophobicContact CG-CE2 4.5Å; M219-F223 WeakPolarHBondContact O-CB 3.45Å; M219-F223 PolarHBondContact O-N 3Å; F220-F223 PolarHBondContact O-N 2.86Å; F223-A226 PolarHBondContact O-N 3.32Å; F223-T227 WeakPolarHBondContact O-CB 3.39Å; F223-T227 PolarHBondContact O-N 2.97Å; F223-T227 PolarHBondContact O-OG1 2.71Å; F223-K264 HydrophobicContact CE1-CD 4.42Å; F223-F267 HydrophobicContact CE1-CE2 4.44Å; F223-F267 HydrophobicContact CE2-CE2 4.26Å; F223-F267 HydrophobicContact CE2-CZ 4.21Å; F223-F267 AromaticContact CZ-CE2 3.65Å; F223-F267 HydrophobicContact CZ-CE2 3.65Å; F223-F267 AromaticContact CZ-CZ 3.93Å; F223-F267 HydrophobicContact CZ-CZ 3.93Å
224	E	98.7	Very high	98.5	Very high	98 Å²	98	46.7 Å²	46.7	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-61.1	-47.2	171.7	-71.5	-47.8	124	0	0	110.2	F220 A226 T227 D228 K264	F220-E224 WeakPolarHBondContact O-CG 3.09Å; F220-E224 PolarHBondContact O-N 3.48Å; E224-A226 VanDerWaalsContact C-N 3.3Å; E224-A226 PolarHBondContact O-N 2.88Å; E224-T227 WeakPolarHBondContact O-CB 3.26Å; E224-T227 PolarHBondContact O-N 3.41Å; E224-T227 VanDerWaalsContact O-N 3.16Å; E224-D228 VanDerWaalsContact O-CB 3.3Å; E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.18Å; E224-K264 WeakPolarHBondContact OE1-CE 3.36Å; E224-K264 IonicContact OE1-NZ 3.01Å; E224-K264 PolarHBondContact OE1-NZ 3.09Å; E224-K264 IonicContact OE2-NZ 2.73Å; E224-K264 PolarHBondContact OE2-NZ 3.28Å
225	T	98.6	Very high	98.3	Very high	55 Å²	55	50.7 Å²	50.7	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-59.6	-38.4	177.8	-56.4	0	0	0	0	112.6	W181 E221 E222 W229	W181-T225 HydrophobicContact CH2-CG2 3.98Å; W181-T225 HydrophobicContact CZ2-CG2 3.86Å; E221-T225 WeakPolarHBondContact O-CB 3.33Å; E221-T225 PolarHBondContact O-N 2.89Å; E221-T225 PolarHBondContact O-OG1 3.22Å; E222-T225 WeakPolarHBondContact O-CB 3.48Å; E222-T225 PolarHBondContact O-N 3Å; T225-W229 PolarHBondContact O-N 3.48Å; T225-W229 VanDerWaalsContact O-N 3.14Å
226	A	98.8	Very high	98.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.6	-43.2	174.5	0	0	0	0	0	112.4	W173 I207 L211 L214 E222 F223 E224 D228 W229 V230	W173-A226 HydrophobicContact CH2-CB 3.94Å; W173-A226 HydrophobicContact CZ2-CB 4.21Å; I207-A226 HydrophobicContact CG2-CB 3.85Å; L211-A226 HydrophobicContact CD2-CB 3.6Å; L214-A226 HydrophobicContact CD1-CB 4.45Å; E222-A226 WeakPolarHBondContact O-CB 3.29Å; E222-A226 PolarHBondContact O-N 3.48Å; F223-A226 PolarHBondContact O-N 3.32Å; E224-A226 VanDerWaalsContact C-N 3.3Å; E224-A226 PolarHBondContact O-N 2.88Å; A226-D228 VanDerWaalsContact C-N 3.29Å; A226-D228 PolarHBondContact O-N 3.36Å; A226-W229 PolarHBondContact O-N 2.85Å; A226-V230 WeakPolarHBondContact O-CG2 3.33Å; A226-V230 PolarHBondContact O-N 3.25Å
227	T	98.8	Very high	97.9	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-54.4	-49.2	172.5	-53.1	0	0	0	0	110.4	F223 E224 W229 V230 E231 K264 V266 F267	F223-T227 WeakPolarHBondContact O-CB 3.39Å; F223-T227 PolarHBondContact O-N 2.97Å; F223-T227 PolarHBondContact O-OG1 2.71Å; E224-T227 WeakPolarHBondContact O-CB 3.26Å; E224-T227 PolarHBondContact O-N 3.41Å; E224-T227 VanDerWaalsContact O-N 3.16Å; T227-W229 VanDerWaalsContact C-N 3.29Å; T227-W229 PolarHBondContact O-N 3.29Å; T227-V230 PolarHBondContact O-N 3.13Å; T227-V230 VanDerWaalsContact O-N 3.11Å; T227-E231 PolarHBondContact O-N 3.32Å; T227-K264 HydrophobicContact CG2-CD 3.6Å; T227-K264 PolarHBondContact OG1-NZ 3.36Å; T227-V266 HydrophobicContact CG2-CG1 3.94Å; T227-F267 HydrophobicContact CG2-CE1 4.33Å; T227-F267 HydrophobicContact CG2-CE2 4.35Å; T227-F267 HydrophobicContact CG2-CZ 3.78Å; T227-F267 WeakPolarHBondContact OG1-CZ 3.07Å
228	D	98.6	Very high	97.6	Very high	81 Å²	81	54.7 Å²	54.7	43%	0.433	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-34.3	-174.9	-155.5	59.6	0	0	0	111.4	E224 A226 K232	E224-D228 VanDerWaalsContact O-CB 3.3Å; E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.18Å; A226-D228 VanDerWaalsContact C-N 3.29Å; A226-D228 PolarHBondContact O-N 3.36Å; D228-K232 WeakPolarHBondContact O-CB 3.33Å; D228-K232 VanDerWaalsContact O-CD 3.3Å; D228-K232 WeakPolarHBondContact O-CD 3.27Å; D228-K232 VanDerWaalsContact O-CG 3.27Å; D228-K232 WeakPolarHBondContact O-CG 3.19Å; D228-K232 PolarHBondContact O-N 3.06Å; D228-K232 WeakPolarHBondContact OD1-CE 3.05Å; D228-K232 IonicContact OD1-NZ 3.78Å; D228-K232 PolarHBondContact OD1-NZ 2.99Å; D228-K232 IonicContact OD2-NZ 3.98Å; D228-K232 PolarHBondContact OD2-NZ 2.89Å
229	W	98.8	Very high	97.4	Very high	17 Å²	17	55.8 Å²	55.8	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-46.6	169.8	-174	93.1	0	0	0	112.5	W181 K203 I207 T225 A226 T227 E231 K232 N233 L234	W181-W229 AromaticContact CE2-CD1 3.82Å; W181-W229 HydrophobicContact CH2-CB 4.41Å; W181-W229 HydrophobicContact CZ2-CB 3.75Å; W181-W229 HydrophobicContact CZ2-CG 4.07Å; W181-W229 AromaticContact NE1-CD1 3.56Å; K203-W229 HydrophobicContact CB-CH2 3.91Å; K203-W229 HydrophobicContact CB-CZ2 4.1Å; K203-W229 WeakPolarHBondContact O-CH2 3.06Å; I207-W229 HydrophobicContact CB-CE3 4.27Å; I207-W229 HydrophobicContact CD1-CB 4.42Å; I207-W229 HydrophobicContact CD1-CD2 3.41Å; I207-W229 VanDerWaalsContact CD1-CD2 3.41Å; I207-W229 HydrophobicContact CD1-CE3 3.67Å; I207-W229 HydrophobicContact CD1-CG 3.74Å; I207-W229 HydrophobicContact CD1-CZ2 4.28Å; I207-W229 HydrophobicContact CD1-CZ3 4.21Å; I207-W229 HydrophobicContact CG2-CD2 4.48Å; I207-W229 HydrophobicContact CG2-CE3 3.91Å; T225-W229 PolarHBondContact O-N 3.48Å; T225-W229 VanDerWaalsContact O-N 3.14Å; A226-W229 PolarHBondContact O-N 2.85Å; T227-W229 VanDerWaalsContact C-N 3.29Å; T227-W229 PolarHBondContact O-N 3.29Å; W229-E231 PolarHBondContact O-N 2.97Å; W229-K232 PolarHBondContact O-N 3.26Å; W229-N233 HydrophobicContact CD2-CB 3.94Å; W229-N233 HydrophobicContact CG-CB 4.32Å; W229-N233 HydrophobicContact CH2-CB 4.31Å; W229-N233 HydrophobicContact CZ2-CB 3.75Å; W229-N233 WeakPolarHBondContact O-CB 3.38Å; W229-N233 PolarHBondContact O-N 3.46Å; W229-N233 PolarHBondContact O-ND2 2.79Å; W229-L234 HydrophobicContact CH2-CD1 4.38Å; W229-L234 HydrophobicContact CZ3-CB 4.06Å; W229-L234 HydrophobicContact CZ3-CD1 4.16Å
230	V	98.8	Very high	97.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-43.6	-179.2	166.1	0	0	0	0	111.5	I207 V208 A226 T227 K232 L234 L255 F267 K270	I207-V230 HydrophobicContact CG2-CG2 4.16Å; V208-V230 HydrophobicContact CG2-CG2 4.19Å; A226-V230 WeakPolarHBondContact O-CG2 3.33Å; A226-V230 PolarHBondContact O-N 3.25Å; T227-V230 PolarHBondContact O-N 3.13Å; T227-V230 VanDerWaalsContact O-N 3.11Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 2.84Å; V230-L234 HydrophobicContact CG1-CB 4.36Å; V230-L234 HydrophobicContact CG1-CD2 3.93Å; V230-L234 HydrophobicContact CG2-CD2 4.43Å; V230-L234 WeakPolarHBondContact O-CB 3.39Å; V230-L234 PolarHBondContact O-N 3.14Å; V230-L255 HydrophobicContact CG1-CD2 4.11Å; V230-F267 HydrophobicContact CB-CE1 4.32Å; V230-F267 HydrophobicContact CG1-CD1 4.09Å; V230-F267 HydrophobicContact CG1-CE1 4.15Å; V230-F267 HydrophobicContact CG2-CE1 4.5Å; V230-K270 HydrophobicContact CG1-CG 4.44Å
231	E	98	Very high	97	Very high	101 Å²	101	55.6 Å²	55.6	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-38.9	177.6	-175.3	141.9	-118.2	0	0	112.7	T227 W229 V266 R269	T227-E231 PolarHBondContact O-N 3.32Å; W229-E231 PolarHBondContact O-N 2.97Å; E231-V266 HydrophobicContact CB-CG2 3.9Å; E231-V266 HydrophobicContact CG-CG2 4.18Å; E231-R269 IonicContact OE1-NH2 3.18Å; E231-R269 PolarHBondContact OE1-NH2 3.41Å
232	K	97.9	Very high	97	Very high	134 Å²	134	47.9 Å²	47.9	58%	0.583	24%	0.244	S	C	*	.	H	α-helix	trans	-94.9	-20.2	-168.6	-63.4	170.4	-163.9	174.9	0	114.2	D228 W229 V230	D228-K232 WeakPolarHBondContact O-CB 3.33Å; D228-K232 VanDerWaalsContact O-CD 3.3Å; D228-K232 WeakPolarHBondContact O-CD 3.27Å; D228-K232 VanDerWaalsContact O-CG 3.27Å; D228-K232 WeakPolarHBondContact O-CG 3.19Å; D228-K232 PolarHBondContact O-N 3.06Å; D228-K232 WeakPolarHBondContact OD1-CE 3.05Å; D228-K232 IonicContact OD1-NZ 3.78Å; D228-K232 PolarHBondContact OD1-NZ 2.99Å; D228-K232 IonicContact OD2-NZ 3.98Å; D228-K232 PolarHBondContact OD2-NZ 2.89Å; W229-K232 PolarHBondContact O-N 3.26Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 2.84Å
233	N	98	Very high	97	Very high	89 Å²	89	46.8 Å²	46.8	48%	0.476	24%	0.239	S	C	.	.	H	α-helix	trans	-133.3	-17.2	-167.4	-55.2	-92.4	0	0	0	115.7	W229 D235	W229-N233 HydrophobicContact CD2-CB 3.94Å; W229-N233 HydrophobicContact CG-CB 4.32Å; W229-N233 HydrophobicContact CH2-CB 4.31Å; W229-N233 HydrophobicContact CZ2-CB 3.75Å; W229-N233 WeakPolarHBondContact O-CB 3.38Å; W229-N233 PolarHBondContact O-N 3.46Å; W229-N233 PolarHBondContact O-ND2 2.79Å; N233-D235 PolarHBondContact O-N 3.3Å; N233-D235 VanDerWaalsContact O-N 3.13Å
234	L	98	Very high	97	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	24%	0.24	C	C	.	.			trans	-80.7	97.6	-175.9	-172.8	59.4	0	0	0	111.1	I202 K203 V208 W229 V230 F236 F251 L255 K270	I202-L234 HydrophobicContact CG2-CD1 4.16Å; K203-L234 WeakPolarHBondContact O-CD1 3.34Å; V208-L234 HydrophobicContact CG2-CD2 3.97Å; W229-L234 HydrophobicContact CH2-CD1 4.38Å; W229-L234 HydrophobicContact CZ3-CB 4.06Å; W229-L234 HydrophobicContact CZ3-CD1 4.16Å; V230-L234 HydrophobicContact CG1-CB 4.36Å; V230-L234 HydrophobicContact CG1-CD2 3.93Å; V230-L234 HydrophobicContact CG2-CD2 4.43Å; V230-L234 WeakPolarHBondContact O-CB 3.39Å; V230-L234 PolarHBondContact O-N 3.14Å; L234-F236 HydrophobicContact CD1-CE1 3.75Å; L234-F236 HydrophobicContact CD1-CZ 4.19Å; L234-F236 HydrophobicContact CD2-CE1 4.02Å; L234-F236 HydrophobicContact CD2-CZ 3.61Å; L234-F236 HydrophobicContact CG-CE1 3.71Å; L234-F236 HydrophobicContact CG-CE2 4.46Å; L234-F236 HydrophobicContact CG-CZ 3.63Å; L234-F251 HydrophobicContact CD1-CD1 4.38Å; L234-F251 HydrophobicContact CD1-CE1 4.13Å; L234-L255 HydrophobicContact CD2-CD1 4.25Å; L234-L255 HydrophobicContact CD2-CD2 4.37Å; L234-K270 VanDerWaalsContact O-CE 3.22Å; L234-K270 WeakPolarHBondContact O-CE 3.44Å; L234-K270 PolarHBondContact O-NZ 3.17Å
235	D	95.7	Very high	97	Very high	83 Å²	83	43.6 Å²	43.6	44%	0.444	22%	0.224	S	C	.	.			trans	-110.4	133.6	177.3	179.7	23.2	0	0	0	111.6	N233 N237	N233-D235 PolarHBondContact O-N 3.3Å; N233-D235 VanDerWaalsContact O-N 3.13Å; D235-N237 WeakPolarHBondContact OD1-CB 3.46Å; D235-N237 PolarHBondContact OD1-N 3.09Å
236	F	95.7	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.			trans	-104.8	1.8	177.3	-51.1	-56.8	0	0	0	113.2	I202 L234 V238 L255 K270 E273 L274 K277	I202-F236 HydrophobicContact CG2-CD1 4.4Å; I202-F236 HydrophobicContact CG2-CE1 4.38Å; L234-F236 HydrophobicContact CD1-CE1 3.75Å; L234-F236 HydrophobicContact CD1-CZ 4.19Å; L234-F236 HydrophobicContact CD2-CE1 4.02Å; L234-F236 HydrophobicContact CD2-CZ 3.61Å; L234-F236 HydrophobicContact CG-CE1 3.71Å; L234-F236 HydrophobicContact CG-CE2 4.46Å; L234-F236 HydrophobicContact CG-CZ 3.63Å; F236-V238 PolarHBondContact O-N 2.75Å; F236-L255 HydrophobicContact CZ-CD1 4.17Å; F236-K270 HydrophobicContact CD2-CD 4.37Å; F236-K270 HydrophobicContact CE2-CB 4.18Å; F236-K270 HydrophobicContact CE2-CD 3.58Å; F236-K270 WeakPolarHBondContact CE2-O 3.11Å; F236-K270 HydrophobicContact CZ-CB 4.49Å; F236-K270 HydrophobicContact CZ-CD 4.19Å; F236-E273 HydrophobicContact CD2-CB 4.31Å; F236-E273 HydrophobicContact CD2-CG 3.99Å; F236-E273 WeakPolarHBondContact CD2-OE1 3.23Å; F236-E273 HydrophobicContact CE2-CB 4.47Å; F236-L274 HydrophobicContact CB-CD1 4.42Å; F236-L274 HydrophobicContact CD1-CD1 3.8Å; F236-L274 HydrophobicContact CD1-CD2 4.46Å; F236-L274 HydrophobicContact CD1-CG 4.5Å; F236-L274 HydrophobicContact CD2-CB 3.97Å; F236-L274 HydrophobicContact CD2-CD1 4.43Å; F236-L274 HydrophobicContact CE1-CB 4.33Å; F236-L274 HydrophobicContact CE1-CD1 4.09Å; F236-L274 HydrophobicContact CE1-CD2 3.9Å; F236-L274 HydrophobicContact CE1-CG 4.34Å; F236-L274 HydrophobicContact CE2-CB 3.73Å; F236-L274 HydrophobicContact CG-CB 4.37Å; F236-L274 HydrophobicContact CG-CD1 3.98Å; F236-L274 HydrophobicContact CZ-CB 3.91Å; F236-L274 HydrophobicContact CZ-CD2 3.99Å; F236-L274 HydrophobicContact CZ-CG 4.37Å; F236-K277 HydrophobicContact CB-CG 4.35Å
237	N	92.7	Very high	97	Very high	80 Å²	80	42.3 Å²	42.3	43%	0.428	21%	0.214	S	C	.	.			trans	-79.2	31.1	179.1	-161.8	19.3	0	0	0	113.8	D235	D235-N237 WeakPolarHBondContact OD1-CB 3.46Å; D235-N237 PolarHBondContact OD1-N 3.09Å
238	V	91.4	Very high	97	Very high	22 Å²	22	41.8 Å²	41.8	13%	0.133	21%	0.211	C	C	.	.			trans	-86.6	136.6	-170.6	-62.7	0	0	0	0	112	I202 F236 A240 L295 K296	I202-V238 HydrophobicContact CG1-CG2 4.09Å; F236-V238 PolarHBondContact O-N 2.75Å; V238-A240 VanDerWaalsContact C-N 3.29Å; V238-A240 PolarHBondContact O-N 2.9Å; V238-A240 VanDerWaalsContact O-N 3.14Å; V238-L295 HydrophobicContact CG2-CD1 4.35Å; V238-K296 WeakPolarHBondContact O-CB 3.44Å
239	N	94.3	Very high	97	Very high	116 Å²	116	38.1 Å²	38.1	62%	0.62	19%	0.191	S	C	*	.	S	Bend	trans	-89	61.9	178.7	-170.5	31	0	0	0	111.7	N294 K296	N239-N294 PolarHBondContact OD1-ND2 2.83Å; N239-K296 HydrophobicContact CB-CB 4.33Å; N239-K296 HydrophobicContact CB-CD 3.89Å
240	A	92.9	Very high	97	Very high	15 Å²	15	38.2 Å²	38.2	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	-139.4	152	177.8	0	0	0	0	0	110.1	S201 V238 N294	S201-A240 WeakPolarHBondContact OG-CB 3.26Å; V238-A240 VanDerWaalsContact C-N 3.29Å; V238-A240 PolarHBondContact O-N 2.9Å; V238-A240 VanDerWaalsContact O-N 3.14Å; A240-N294 WeakPolarHBondContact O-CA 3.29Å
241	E	95.9	Very high	97	Very high	73 Å²	73	38.2 Å²	38.2	34%	0.341	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	139.2	168.1	-64.4	178.8	135.5	0	0	109.9	G200 L293 N294 R301	G200-E241 WeakPolarHBondContact CA-O 3.44Å; E241-L293 CarbonylContact C-O 3.6Å; E241-L293 WeakPolarHBondContact CA-O 3.4Å; E241-N294 HydrophobicContact CG-CB 4.19Å; E241-R301 WeakPolarHBondContact OE1-CD 3.46Å; E241-R301 IonicContact OE1-CZ 3.32Å; E241-R301 IonicContact OE1-NE 2.76Å; E241-R301 PolarHBondContact OE1-NE 2.87Å; E241-R301 IonicContact OE1-NH2 2.69Å; E241-R301 IonicContact OE2-CZ 2.84Å; E241-R301 IonicContact OE2-NE 3.81Å; E241-R301 PolarHBondContact OE2-NE 2.74Å; E241-R301 IonicContact OE2-NH2 3.86Å; E241-R301 PolarHBondContact OE2-NH2 3.43Å
242	V	98	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.7	176	-48.3	0	0	0	0	109.8	L198 F199 I202 V247 L292 L293 L295	L198-V242 CarbonylContact O-C 3.58Å; L198-V242 WeakPolarHBondContact O-CA 3.15Å; F199-V242 WeakPolarHBondContact O-CG1 3.42Å; I202-V242 HydrophobicContact CD1-CG1 3.98Å; I202-V242 HydrophobicContact CG1-CG1 4.22Å; V242-V247 HydrophobicContact CB-CG2 3.82Å; V242-V247 HydrophobicContact CG2-CB 4.31Å; V242-V247 HydrophobicContact CG2-CG2 3.8Å; V242-L292 CarbonylContact O-C 3.59Å; V242-L292 VanDerWaalsContact O-CA 3.3Å; V242-L292 WeakPolarHBondContact O-CA 3.45Å; V242-L293 PolarHBondContact N-O 3.3Å; V242-L293 PolarHBondContact O-N 3.43Å; V242-L295 HydrophobicContact CG1-CD1 4.33Å; V242-L295 HydrophobicContact CG1-CG 4.32Å; V242-L295 HydrophobicContact CG2-CD1 4.24Å; V242-L295 HydrophobicContact CG2-CD2 3.83Å; V242-L295 HydrophobicContact CG2-CG 3.98Å
243	S	98.6	Very high	97.1	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123	168.2	174.9	0	0	0	0	109.6	L198 F245 E246 V247 A291	L198-S243 PolarHBondContact O-N 3.1Å; S243-F245 VanDerWaalsContact C-N 3.32Å; S243-F245 PolarHBondContact O-N 3.28Å; S243-E246 WeakPolarHBondContact OG-CG 3.47Å; S243-E246 PolarHBondContact OG-N 3.29Å; S243-V247 WeakPolarHBondContact O-CB 3.33Å; S243-V247 WeakPolarHBondContact O-CG2 3.36Å; S243-V247 PolarHBondContact O-N 3.19Å; S243-A291 WeakPolarHBondContact CA-O 3.4Å
244	V	98.8	Very high	97.1	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.024	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-38	-177.6	174.7	0	0	0	0	110.9	N248 L278 A281 W290 A291 L293 L319	V244-N248 WeakPolarHBondContact O-CB 3.34Å; V244-N248 PolarHBondContact O-N 3Å; V244-L278 HydrophobicContact CG1-CD2 4.39Å; V244-A281 HydrophobicContact CG1-CB 4.08Å; V244-A281 HydrophobicContact CG2-CB 3.76Å; V244-W290 WeakPolarHBondContact CG2-O 3.47Å; V244-A291 PolarHBondContact N-O 3.42Å; V244-L293 HydrophobicContact CG2-CB 3.63Å; V244-L319 HydrophobicContact CG1-CD1 4.42Å; V244-L319 HydrophobicContact CG1-CD2 4.43Å
245	F	98.8	Very high	97.2	Very high	29 Å²	29	22.5 Å²	22.5	13%	0.127	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-56.8	174.4	165.6	-112.8	0	0	0	111.7	S243 V247 N248 I249 E315 T318 T599	S243-F245 VanDerWaalsContact C-N 3.32Å; S243-F245 PolarHBondContact O-N 3.28Å; F245-V247 VanDerWaalsContact C-N 3.33Å; F245-V247 PolarHBondContact O-N 2.81Å; F245-N248 WeakPolarHBondContact O-CB 3.5Å; F245-N248 PolarHBondContact O-N 3.21Å; F245-N248 VanDerWaalsContact O-N 3.09Å; F245-I249 HydrophobicContact CD1-CD1 4.25Å; F245-I249 HydrophobicContact CD2-CD1 4.21Å; F245-I249 HydrophobicContact CD2-CG2 3.92Å; F245-I249 HydrophobicContact CE1-CD1 3.76Å; F245-I249 HydrophobicContact CE2-CD1 3.72Å; F245-I249 HydrophobicContact CE2-CG2 3.83Å; F245-I249 HydrophobicContact CG-CD1 4.46Å; F245-I249 HydrophobicContact CZ-CD1 3.47Å; F245-I249 VanDerWaalsContact CZ-CD1 3.47Å; F245-I249 WeakPolarHBondContact O-CG2 3.49Å; F245-I249 PolarHBondContact O-N 3.09Å; F245-E315 HydrophobicContact CB-CB 3.76Å; F245-E315 HydrophobicContact CB-CG 3.83Å; F245-E315 HydrophobicContact CD1-CG 4.04Å; F245-E315 HydrophobicContact CG-CB 4.16Å; F245-E315 HydrophobicContact CG-CG 3.97Å; F245-T318 HydrophobicContact CE2-CG2 3.91Å; F245-T599 HydrophobicContact CE2-CG2 4.45Å
246	E	98.6	Very high	97.3	Very high	28 Å²	28	18.6 Å²	18.6	13%	0.131	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-41.1	-176.2	-61.2	-75.4	-177.8	0	0	111.9	L198 F199 S243 R250	L198-E246 HydrophobicContact CB-CB 4.41Å; L198-E246 HydrophobicContact CB-CG 4.14Å; L198-E246 HydrophobicContact CD1-CG 4.08Å; L198-E246 HydrophobicContact CD2-CG 4.28Å; L198-E246 HydrophobicContact CG-CG 4.38Å; F199-E246 HydrophobicContact CE1-CB 4.12Å; S243-E246 WeakPolarHBondContact OG-CG 3.47Å; S243-E246 PolarHBondContact OG-N 3.29Å; E246-R250 WeakPolarHBondContact O-CB 3.34Å; E246-R250 WeakPolarHBondContact O-CG 3.24Å; E246-R250 PolarHBondContact O-N 3.07Å; E246-R250 IonicContact OE2-CZ 3.46Å; E246-R250 IonicContact OE2-NE 2.87Å; E246-R250 PolarHBondContact OE2-NE 3.39Å; E246-R250 IonicContact OE2-NH2 3.8Å; E246-R250 PolarHBondContact OE2-NH2 2.83Å
247	V	98.6	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-74.4	-26.7	178.7	173.6	0	0	0	0	112.1	F199 I202 V242 S243 F245 F251 V252 L274 L278	F199-V247 HydrophobicContact CD1-CG2 4.34Å; I202-V247 HydrophobicContact CD1-CB 4.49Å; I202-V247 HydrophobicContact CD1-CG1 3.83Å; I202-V247 HydrophobicContact CD1-CG2 3.72Å; V242-V247 HydrophobicContact CB-CG2 3.82Å; V242-V247 HydrophobicContact CG2-CB 4.31Å; V242-V247 HydrophobicContact CG2-CG2 3.8Å; S243-V247 WeakPolarHBondContact O-CB 3.33Å; S243-V247 WeakPolarHBondContact O-CG2 3.36Å; S243-V247 PolarHBondContact O-N 3.19Å; F245-V247 VanDerWaalsContact C-N 3.33Å; F245-V247 PolarHBondContact O-N 2.81Å; V247-F251 HydrophobicContact CG1-CB 4.44Å; V247-F251 WeakPolarHBondContact O-CB 3.43Å; V247-F251 PolarHBondContact O-N 2.95Å; V247-V252 PolarHBondContact O-N 2.81Å; V247-L274 HydrophobicContact CG1-CD1 3.76Å; V247-L274 HydrophobicContact CG1-CD2 3.8Å; V247-L274 HydrophobicContact CG1-CG 4.15Å; V247-L278 HydrophobicContact CG1-CD2 4.34Å
248	N	98.9	Very high	97.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-69.4	-60.2	170.5	177.9	78.9	0	0	0	111.5	V244 F245 R250 V252 G253 L278 T318 L319 E322 F323	V244-N248 WeakPolarHBondContact O-CB 3.34Å; V244-N248 PolarHBondContact O-N 3Å; F245-N248 WeakPolarHBondContact O-CB 3.5Å; F245-N248 PolarHBondContact O-N 3.21Å; F245-N248 VanDerWaalsContact O-N 3.09Å; N248-R250 VanDerWaalsContact C-N 3.34Å; N248-R250 PolarHBondContact O-N 3.28Å; N248-V252 WeakPolarHBondContact O-CA 3.16Å; N248-V252 VanDerWaalsContact O-CB 3.24Å; N248-V252 WeakPolarHBondContact O-CB 3.34Å; N248-V252 PolarHBondContact O-N 2.9Å; N248-V252 VanDerWaalsContact O-N 3.12Å; N248-G253 PolarHBondContact O-N 3.26Å; N248-L278 HydrophobicContact CB-CD1 4.36Å; N248-T318 PolarHBondContact ND2-O 3.12Å; N248-L319 HydrophobicContact CB-CD2 3.57Å; N248-E322 PolarHBondContact ND2-OE2 3.41Å; N248-E322 WeakPolarHBondContact OD1-CB 3.46Å; N248-F323 WeakPolarHBondContact OD1-CD2 3.47Å; N248-F323 VanDerWaalsContact OD1-CE2 3.28Å; N248-F323 WeakPolarHBondContact OD1-CE2 3.27Å
249	I	98.8	Very high	98.1	Very high	3 Å²	3	14 Å²	14	2%	0.015	7%	0.071	C	C	.	.	I	π-helix	trans	-64.5	-40.1	-169.5	70.2	-168.8	0	0	0	111.6	F245 G253 T318 N598 T599 E600 H602	F245-I249 HydrophobicContact CD1-CD1 4.25Å; F245-I249 HydrophobicContact CD2-CD1 4.21Å; F245-I249 HydrophobicContact CD2-CG2 3.92Å; F245-I249 HydrophobicContact CE1-CD1 3.76Å; F245-I249 HydrophobicContact CE2-CD1 3.72Å; F245-I249 HydrophobicContact CE2-CG2 3.83Å; F245-I249 HydrophobicContact CG-CD1 4.46Å; F245-I249 HydrophobicContact CZ-CD1 3.47Å; F245-I249 VanDerWaalsContact CZ-CD1 3.47Å; F245-I249 WeakPolarHBondContact O-CG2 3.49Å; F245-I249 PolarHBondContact O-N 3.09Å; I249-G253 WeakPolarHBondContact O-CA 3.22Å; I249-T318 HydrophobicContact CG2-CG2 4.13Å; I249-N598 PolarHBondContact O-ND2 3.37Å; I249-T599 HydrophobicContact CB-CG2 3.69Å; I249-T599 HydrophobicContact CD1-CG2 3.86Å; I249-T599 HydrophobicContact CG1-CG2 4.27Å; I249-T599 HydrophobicContact CG2-CG2 3.48Å; I249-T599 VanDerWaalsContact CG2-CG2 3.48Å; I249-E600 HydrophobicContact CB-CB 4.37Å; I249-E600 HydrophobicContact CG1-CB 4.23Å; I249-H602 PolarHBondContact O-CD2 3.4Å; I249-H602 VanDerWaalsContact O-CD2 3.28Å
250	R	98.8	Very high	98.3	Very high	19 Å²	19	9.4 Å²	9.4	7%	0.072	5%	0.045	C	C	.	.	I	π-helix	trans	-80.9	-71.9	179.8	-62.4	-177.7	-153.1	-97.1	-20.1	111.9	D209 E246 N248 G254 S570 E600	D209-R250 WeakPolarHBondContact OD1-CB 3.48Å; E246-R250 WeakPolarHBondContact O-CB 3.34Å; E246-R250 WeakPolarHBondContact O-CG 3.24Å; E246-R250 PolarHBondContact O-N 3.07Å; E246-R250 IonicContact OE2-CZ 3.46Å; E246-R250 IonicContact OE2-NE 2.87Å; E246-R250 PolarHBondContact OE2-NE 3.39Å; E246-R250 IonicContact OE2-NH2 3.8Å; E246-R250 PolarHBondContact OE2-NH2 2.83Å; N248-R250 VanDerWaalsContact C-N 3.34Å; N248-R250 PolarHBondContact O-N 3.28Å; R250-G254 WeakPolarHBondContact O-CA 3.39Å; R250-G254 PolarHBondContact O-N 2.84Å; R250-S570 PolarHBondContact NH1-OG 3.23Å; R250-E600 VanDerWaalsContact CG-CD 3.41Å; R250-E600 HydrophobicContact CG-CG 4.1Å; R250-E600 WeakPolarHBondContact CG-OE1 3.42Å; R250-E600 WeakPolarHBondContact CG-OE2 3.28Å; R250-E600 VanDerWaalsContact CZ-CD 3.48Å; R250-E600 IonicContact CZ-OE1 2.75Å; R250-E600 IonicContact CZ-OE2 3.82Å; R250-E600 IonicContact NE-OE1 3.4Å; R250-E600 IonicContact NE-OE2 3.6Å; R250-E600 PolarHBondContact NE-OE2 3.16Å; R250-E600 IonicContact NH1-OE1 2.68Å; R250-E600 PolarHBondContact NH1-OE1 2.89Å; R250-E600 IonicContact NH1-OE2 2.75Å; R250-E600 PolarHBondContact NH1-OE2 3.01Å; R250-E600 IonicContact NH2-OE1 3.32Å; R250-E600 IonicContact NH2-OE2 2.79Å; R250-E600 PolarHBondContact NH2-OE2 3.39Å
251	F	98.8	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-70.6	-43.4	-170.9	-72.5	-98.4	0	0	0	112.7	F199 I202 A205 V208 L234 V247 L255 L274	F199-F251 AromaticContact CD1-CE2 3.79Å; F199-F251 HydrophobicContact CD1-CE2 3.79Å; F199-F251 HydrophobicContact CE1-CE2 4.22Å; F199-F251 HydrophobicContact CG-CE2 4.24Å; I202-F251 HydrophobicContact CB-CZ 4.32Å; I202-F251 HydrophobicContact CG2-CD1 4.08Å; I202-F251 HydrophobicContact CG2-CE1 3.43Å; I202-F251 VanDerWaalsContact CG2-CE1 3.43Å; I202-F251 HydrophobicContact CG2-CE2 4.25Å; I202-F251 HydrophobicContact CG2-CZ 3.52Å; A205-F251 VanDerWaalsContact CA-CZ 3.44Å; A205-F251 HydrophobicContact CB-CE2 3.79Å; A205-F251 HydrophobicContact CB-CZ 3.64Å; V208-F251 HydrophobicContact CB-CD1 4.19Å; V208-F251 HydrophobicContact CB-CE1 4.48Å; V208-F251 HydrophobicContact CG1-CD1 4.31Å; V208-F251 HydrophobicContact CG2-CD1 3.93Å; V208-F251 HydrophobicContact CG2-CE1 4.09Å; L234-F251 HydrophobicContact CD1-CD1 4.38Å; L234-F251 HydrophobicContact CD1-CE1 4.13Å; V247-F251 HydrophobicContact CG1-CB 4.44Å; V247-F251 WeakPolarHBondContact O-CB 3.43Å; V247-F251 PolarHBondContact O-N 2.95Å; F251-L255 VanDerWaalsContact O-CB 3.25Å; F251-L255 WeakPolarHBondContact O-CB 3.13Å; F251-L255 VanDerWaalsContact O-CD1 3.26Å; F251-L255 WeakPolarHBondContact O-CD1 3.24Å; F251-L255 WeakPolarHBondContact O-CG 3.24Å; F251-L255 PolarHBondContact O-N 3.42Å; F251-L274 HydrophobicContact CB-CD2 3.44Å; F251-L274 VanDerWaalsContact CB-CD2 3.44Å; F251-L274 HydrophobicContact CG-CD2 4.44Å
252	V	98.9	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-73.1	-45.6	177	-172.1	0	0	0	0	110.4	V247 N248 L255 L256 L274 L278 E322 L326	V247-V252 PolarHBondContact O-N 2.81Å; N248-V252 WeakPolarHBondContact O-CA 3.16Å; N248-V252 VanDerWaalsContact O-CB 3.24Å; N248-V252 WeakPolarHBondContact O-CB 3.34Å; N248-V252 PolarHBondContact O-N 2.9Å; N248-V252 VanDerWaalsContact O-N 3.12Å; V252-L255 PolarHBondContact O-N 2.64Å; V252-L256 HydrophobicContact CG1-CD1 3.83Å; V252-L256 HydrophobicContact CG1-CG 4.15Å; V252-L256 WeakPolarHBondContact O-CB 3.44Å; V252-L256 WeakPolarHBondContact O-CG 3.15Å; V252-L256 PolarHBondContact O-N 3.14Å; V252-L274 HydrophobicContact CG2-CB 4.35Å; V252-L274 HydrophobicContact CG2-CD2 3.65Å; V252-L274 HydrophobicContact CG2-CG 3.84Å; V252-L278 HydrophobicContact CG2-CD1 4.17Å; V252-E322 HydrophobicContact CB-CB 4.42Å; V252-E322 HydrophobicContact CG1-CB 3.96Å; V252-L326 HydrophobicContact CG1-CD1 3.9Å; V252-L326 HydrophobicContact CG1-CD2 4.01Å; V252-L326 HydrophobicContact CG1-CG 3.99Å
253	G	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.2	-49.3	177.9	0	0	0	0	0	113.9	N248 I249 L256 S257	N248-G253 PolarHBondContact O-N 3.26Å; I249-G253 WeakPolarHBondContact O-CA 3.22Å; G253-L256 PolarHBondContact O-N 3.06Å; G253-S257 WeakPolarHBondContact O-CB 3.25Å; G253-S257 PolarHBondContact O-N 2.81Å; G253-S257 PolarHBondContact O-OG 3.25Å
254	G	98.9	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.9	-42.8	178	0	0	0	0	0	113.2	R250 S257 A258 H602	R250-G254 WeakPolarHBondContact O-CA 3.39Å; R250-G254 PolarHBondContact O-N 2.84Å; G254-S257 PolarHBondContact O-N 3.32Å; G254-A258 WeakPolarHBondContact O-CB 3.29Å; G254-A258 PolarHBondContact O-N 3.27Å; G254-H602 PolarHBondContact N-CD2 2.79Å
255	L	98.9	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.2	-40.5	174.8	-69.8	171.3	0	0	0	112.4	V208 L211 V230 L234 F236 F251 V252 Y259 F267 K270 A271	V208-L255 HydrophobicContact CG1-CD2 4.16Å; V208-L255 HydrophobicContact CG1-CG 3.83Å; L211-L255 HydrophobicContact CD1-CD2 4.35Å; V230-L255 HydrophobicContact CG1-CD2 4.11Å; L234-L255 HydrophobicContact CD2-CD1 4.25Å; L234-L255 HydrophobicContact CD2-CD2 4.37Å; F236-L255 HydrophobicContact CZ-CD1 4.17Å; F251-L255 VanDerWaalsContact O-CB 3.25Å; F251-L255 WeakPolarHBondContact O-CB 3.13Å; F251-L255 VanDerWaalsContact O-CD1 3.26Å; F251-L255 WeakPolarHBondContact O-CD1 3.24Å; F251-L255 WeakPolarHBondContact O-CG 3.24Å; F251-L255 PolarHBondContact O-N 3.42Å; V252-L255 PolarHBondContact O-N 2.64Å; L255-Y259 PolarHBondContact O-N 2.95Å; L255-F267 HydrophobicContact CD2-CB 4.25Å; L255-F267 HydrophobicContact CD2-CD1 3.75Å; L255-F267 HydrophobicContact CD2-CG 4.47Å; L255-F267 VanDerWaalsContact O-CB 3.29Å; L255-F267 WeakPolarHBondContact O-CB 3.5Å; L255-K270 HydrophobicContact CD1-CB 3.76Å; L255-K270 HydrophobicContact CD2-CB 4.25Å; L255-A271 HydrophobicContact CB-CB 3.92Å
256	L	98.9	Very high	98.4	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-61.4	-45.6	174.8	-75.1	173.2	0	0	0	111.2	V252 G253 Y259 Y260 A271 E322 H325 L329 L604	V252-L256 HydrophobicContact CG1-CD1 3.83Å; V252-L256 HydrophobicContact CG1-CG 4.15Å; V252-L256 WeakPolarHBondContact O-CB 3.44Å; V252-L256 WeakPolarHBondContact O-CG 3.15Å; V252-L256 PolarHBondContact O-N 3.14Å; G253-L256 PolarHBondContact O-N 3.06Å; L256-Y259 WeakPolarHBondContact O-CB 3.27Å; L256-Y259 PolarHBondContact O-N 3.13Å; L256-Y260 HydrophobicContact CB-CE2 4.42Å; L256-Y260 WeakPolarHBondContact O-CD2 3.32Å; L256-Y260 PolarHBondContact O-N 3.23Å; L256-A271 HydrophobicContact CD2-CB 4.05Å; L256-A271 HydrophobicContact CG-CB 4.19Å; L256-E322 HydrophobicContact CD1-CB 4.02Å; L256-E322 HydrophobicContact CD1-CG 4.4Å; L256-H325 HydrophobicContact CD1-CB 3.78Å; L256-H325 HydrophobicContact CD2-CB 4.19Å; L256-L329 HydrophobicContact CD2-CD1 3.61Å; L256-L604 HydrophobicContact CB-CD2 3.59Å; L256-L604 HydrophobicContact CD1-CD2 4.13Å
257	S	98.9	Very high	98.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-72.4	-39.6	-176.8	-55	0	0	0	0	112	G253 G254 Y259 Y260 L261 H602 P603 L604	G253-S257 WeakPolarHBondContact O-CB 3.25Å; G253-S257 PolarHBondContact O-N 2.81Å; G253-S257 PolarHBondContact O-OG 3.25Å; G254-S257 PolarHBondContact O-N 3.32Å; S257-Y259 VanDerWaalsContact C-N 3.28Å; S257-Y259 PolarHBondContact O-N 3.19Å; S257-Y260 PolarHBondContact O-N 3.34Å; S257-Y260 VanDerWaalsContact O-N 3.17Å; S257-L261 WeakPolarHBondContact O-CB 3.2Å; S257-L261 WeakPolarHBondContact O-CG 3.37Å; S257-L261 PolarHBondContact O-N 3.06Å; S257-H602 WeakPolarHBondContact OG-CB 3.38Å; S257-P603 PolarHBondContact OG-O 2.76Å; S257-L604 WeakPolarHBondContact OG-CD2 3.46Å
258	A	98.8	Very high	98.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.5	-38.4	170.5	0	0	0	0	0	112.2	L211 G254 S262 F267	L211-A258 HydrophobicContact CB-CB 3.77Å; L211-A258 HydrophobicContact CD1-CB 3.71Å; L211-A258 HydrophobicContact CG-CB 4.3Å; G254-A258 WeakPolarHBondContact O-CB 3.29Å; G254-A258 PolarHBondContact O-N 3.27Å; A258-S262 WeakPolarHBondContact O-CB 3.1Å; A258-S262 PolarHBondContact O-N 2.84Å; A258-S262 VanDerWaalsContact O-N 3.12Å; A258-S262 PolarHBondContact O-OG 3.48Å; A258-F267 HydrophobicContact CB-CB 4.34Å; A258-F267 HydrophobicContact CB-CD1 4.18Å; A258-F267 HydrophobicContact CB-CD2 3.71Å; A258-F267 HydrophobicContact CB-CE1 4.37Å; A258-F267 HydrophobicContact CB-CE2 3.93Å; A258-F267 HydrophobicContact CB-CG 3.84Å; A258-F267 HydrophobicContact CB-CZ 4.24Å
259	Y	98.7	Very high	98.3	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-63.4	-51.7	170.7	170.9	-105.2	0	0	0	111.9	Y142 L255 L256 S257 L261 S262 G263 E265 R268 L329	Y142-Y259 HydrophobicContact CD2-CE2 4.49Å; L255-Y259 PolarHBondContact O-N 2.95Å; L256-Y259 WeakPolarHBondContact O-CB 3.27Å; L256-Y259 PolarHBondContact O-N 3.13Å; S257-Y259 VanDerWaalsContact C-N 3.28Å; S257-Y259 PolarHBondContact O-N 3.19Å; Y259-L261 VanDerWaalsContact C-N 3.32Å; Y259-L261 PolarHBondContact O-N 2.89Å; Y259-S262 PolarHBondContact O-N 3.24Å; Y259-G263 WeakPolarHBondContact O-CA 3.33Å; Y259-G263 PolarHBondContact O-N 3.16Å; Y259-E265 PolarHBondContact OH-OE1 2.74Å; Y259-R268 HydrophobicContact CD1-CB 4.27Å; Y259-R268 HydrophobicContact CD2-CB 3.52Å; Y259-R268 HydrophobicContact CE2-CB 3.84Å; Y259-R268 HydrophobicContact CE2-CG 4.42Å; Y259-R268 HydrophobicContact CG-CB 3.75Å; Y259-R268 VanDerWaalsContact CZ-CD 3.47Å; Y259-L329 HydrophobicContact CD1-CD1 3.73Å; Y259-L329 HydrophobicContact CD1-CD2 4.42Å; Y259-L329 HydrophobicContact CE1-CD1 3.88Å; Y259-L329 HydrophobicContact CE1-CD2 3.74Å
260	Y	98.4	Very high	98.3	Very high	20 Å²	20	16.2 Å²	16.2	8%	0.078	8%	0.077	C	C	.	.	H	α-helix	trans	-64.2	-34.2	-176	-72.8	-58.9	0	0	0	113.6	Y142 P145 L256 S257 H325 L329 L604 P605	Y142-Y260 WeakPolarHBondContact CE2-O 3.4Å; Y142-Y260 PolarHBondContact OH-O 3.22Å; P145-Y260 WeakPolarHBondContact CD-O 3.44Å; L256-Y260 HydrophobicContact CB-CE2 4.42Å; L256-Y260 WeakPolarHBondContact O-CD2 3.32Å; L256-Y260 PolarHBondContact O-N 3.23Å; S257-Y260 PolarHBondContact O-N 3.34Å; S257-Y260 VanDerWaalsContact O-N 3.17Å; Y260-H325 AromaticContact CE2-CE1 3.99Å; Y260-H325 AromaticContact CE2-ND1 3.42Å; Y260-H325 WeakPolarHBondContact CE2-ND1 3.43Å; Y260-H325 AromaticContact CZ-ND1 3.41Å; Y260-H325 PolarHBondContact OH-ND1 3.49Å; Y260-L329 HydrophobicContact CE1-CD1 4.43Å; Y260-L329 HydrophobicContact CE1-CD2 4.12Å; Y260-L329 HydrophobicContact CE2-CD1 4.27Å; Y260-L329 WeakPolarHBondContact OH-CD1 3.5Å; Y260-L329 WeakPolarHBondContact OH-CD2 3.44Å; Y260-L329 VanDerWaalsContact OH-CG 3.3Å; Y260-L329 WeakPolarHBondContact OH-CG 3.38Å; Y260-L604 HydrophobicContact CD2-CD2 4.4Å; Y260-L604 HydrophobicContact CE2-CD2 4.41Å; Y260-P605 HydrophobicContact CD1-CG 3.59Å; Y260-P605 HydrophobicContact CD2-CG 3.79Å; Y260-P605 HydrophobicContact CE1-CG 3.79Å; Y260-P605 HydrophobicContact CE2-CG 3.98Å; Y260-P605 HydrophobicContact CG-CG 3.6Å
261	L	98.3	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-74.5	-45.1	176.3	-67.3	171.4	0	0	0	112.9	Y142 R144 A148 D212 Y215 I216 S257 Y259 L590 W595 P603	Y142-L261 PolarHBondContact OH-O 3.04Å; Y142-L261 VanDerWaalsContact OH-O 3.04Å; R144-L261 PolarHBondContact NE-O 2.95Å; A148-L261 HydrophobicContact CB-CD2 3.75Å; D212-L261 HydrophobicContact CB-CD1 3.51Å; Y215-L261 HydrophobicContact CD1-CB 3.69Å; Y215-L261 HydrophobicContact CD1-CD1 4.19Å; Y215-L261 HydrophobicContact CD1-CD2 4.46Å; Y215-L261 HydrophobicContact CD1-CG 4.34Å; Y215-L261 HydrophobicContact CE1-CB 3.85Å; Y215-L261 HydrophobicContact CG-CB 4.13Å; Y215-L261 PolarHBondContact OH-O 3.48Å; I216-L261 HydrophobicContact CG2-CD1 3.95Å; I216-L261 HydrophobicContact CG2-CD2 4.27Å; S257-L261 WeakPolarHBondContact O-CB 3.2Å; S257-L261 WeakPolarHBondContact O-CG 3.37Å; S257-L261 PolarHBondContact O-N 3.06Å; Y259-L261 VanDerWaalsContact C-N 3.32Å; Y259-L261 PolarHBondContact O-N 2.89Å; L261-L590 HydrophobicContact CD2-CD2 4.08Å; L261-W595 HydrophobicContact CD2-CH2 3.65Å; L261-W595 HydrophobicContact CD2-CZ2 3.99Å; L261-W595 HydrophobicContact CD2-CZ3 4.37Å; L261-W595 HydrophobicContact CG-CH2 4.28Å; L261-P603 HydrophobicContact CD1-CG 4.45Å
262	S	97.7	Very high	98.3	Very high	18 Å²	18	15.5 Å²	15.5	13%	0.126	8%	0.075	C	C	.	.	H	α-helix	trans	-97.5	-29.7	-169.8	71.9	0	0	0	0	115.6	A258 Y259 K264	A258-S262 WeakPolarHBondContact O-CB 3.1Å; A258-S262 PolarHBondContact O-N 2.84Å; A258-S262 VanDerWaalsContact O-N 3.12Å; A258-S262 PolarHBondContact O-OG 3.48Å; Y259-S262 PolarHBondContact O-N 3.24Å; S262-K264 PolarHBondContact OG-N 3.36Å
263	G	96.9	Very high	98.2	Very high	21 Å²	21	17.5 Å²	17.5	22%	0.216	9%	0.085	C	C	.	.			trans	81	5.8	-170.1	0	0	0	0	0	115.1	Y142 Y259 E265	Y142-G263 VanDerWaalsContact CE2-CA 3.46Å; Y142-G263 VanDerWaalsContact CZ-CA 3.42Å; Y142-G263 PolarHBondContact OH-N 3.19Å; Y259-G263 WeakPolarHBondContact O-CA 3.33Å; Y259-G263 PolarHBondContact O-N 3.16Å; G263-E265 PolarHBondContact O-N 3.06Å
264	K	97.5	Very high	98.2	Very high	50 Å²	50	17.5 Å²	17.5	22%	0.217	9%	0.085	C	C	.	.			trans	-78.6	109.7	-178	-64.4	-170.3	-172.3	173.5	0	112.6	F223 E224 T227 S262 V266 F267	F223-K264 HydrophobicContact CE1-CD 4.42Å; E224-K264 WeakPolarHBondContact OE1-CE 3.36Å; E224-K264 IonicContact OE1-NZ 3.01Å; E224-K264 PolarHBondContact OE1-NZ 3.09Å; E224-K264 IonicContact OE2-NZ 2.73Å; E224-K264 PolarHBondContact OE2-NZ 3.28Å; T227-K264 HydrophobicContact CG2-CD 3.6Å; T227-K264 PolarHBondContact OG1-NZ 3.36Å; S262-K264 PolarHBondContact OG-N 3.36Å; K264-V266 HydrophobicContact CB-CG1 4.2Å; K264-V266 PolarHBondContact O-N 2.8Å; K264-F267 HydrophobicContact CB-CD2 3.79Å; K264-F267 HydrophobicContact CB-CE2 3.82Å; K264-F267 HydrophobicContact CD-CE2 4.01Å; K264-F267 HydrophobicContact CG-CE2 4.37Å; K264-F267 PolarHBondContact O-N 2.94Å; K264-F267 VanDerWaalsContact O-N 3.12Å
265	E	96.5	Very high	98.2	Very high	80 Å²	80	17.5 Å²	17.5	37%	0.374	9%	0.085	S	C	.	.	H	α-helix	trans	-55.3	-21.8	179.6	-80.4	-65.3	153.8	0	0	115.5	Y259 G263 F267 R268 R269	Y259-E265 PolarHBondContact OH-OE1 2.74Å; G263-E265 PolarHBondContact O-N 3.06Å; E265-F267 VanDerWaalsContact C-N 3.26Å; E265-F267 PolarHBondContact O-N 2.85Å; E265-R268 VanDerWaalsContact CD-NH1 3.33Å; E265-R268 PolarHBondContact O-N 3.44Å; E265-R268 IonicContact OE1-CZ 3.64Å; E265-R268 IonicContact OE1-NH1 3.04Å; E265-R268 PolarHBondContact OE1-NH1 3.26Å; E265-R268 WeakPolarHBondContact OE2-CD 3.44Å; E265-R268 IonicContact OE2-CZ 3.1Å; E265-R268 IonicContact OE2-NE 2.61Å; E265-R268 IonicContact OE2-NH1 3.66Å; E265-R268 PolarHBondContact OE2-NH1 3.48Å; E265-R269 VanDerWaalsContact O-CB 3.3Å; E265-R269 WeakPolarHBondContact O-CB 3.31Å; E265-R269 PolarHBondContact O-N 3.2Å
266	V	97.6	Very high	98.1	Very high	12 Å²	12	22.1 Å²	22.1	7%	0.073	11%	0.106	C	C	.	.	H	α-helix	trans	-57	-39.8	174	61.7	0	0	0	0	112.3	T227 E231 K264 K270	T227-V266 HydrophobicContact CG2-CG1 3.94Å; E231-V266 HydrophobicContact CB-CG2 3.9Å; E231-V266 HydrophobicContact CG-CG2 4.18Å; K264-V266 HydrophobicContact CB-CG1 4.2Å; K264-V266 PolarHBondContact O-N 2.8Å; V266-K270 WeakPolarHBondContact O-CB 3.38Å; V266-K270 WeakPolarHBondContact O-CG 3.42Å; V266-K270 PolarHBondContact O-N 3.23Å
267	F	98.6	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-72.3	-41.2	-179	-54.5	-57.7	0	0	0	111.5	L211 F223 T227 V230 L255 A258 K264 E265 K270 A271	L211-F267 HydrophobicContact CD1-CD1 3.89Å; L211-F267 HydrophobicContact CD1-CE1 3.51Å; L211-F267 HydrophobicContact CD1-CZ 4.13Å; L211-F267 HydrophobicContact CD2-CE1 3.9Å; L211-F267 HydrophobicContact CD2-CZ 3.89Å; L211-F267 HydrophobicContact CG-CE1 4.37Å; F223-F267 HydrophobicContact CE1-CE2 4.44Å; F223-F267 HydrophobicContact CE2-CE2 4.26Å; F223-F267 HydrophobicContact CE2-CZ 4.21Å; F223-F267 AromaticContact CZ-CE2 3.65Å; F223-F267 HydrophobicContact CZ-CE2 3.65Å; F223-F267 AromaticContact CZ-CZ 3.93Å; F223-F267 HydrophobicContact CZ-CZ 3.93Å; T227-F267 HydrophobicContact CG2-CE1 4.33Å; T227-F267 HydrophobicContact CG2-CE2 4.35Å; T227-F267 HydrophobicContact CG2-CZ 3.78Å; T227-F267 WeakPolarHBondContact OG1-CZ 3.07Å; V230-F267 HydrophobicContact CB-CE1 4.32Å; V230-F267 HydrophobicContact CG1-CD1 4.09Å; V230-F267 HydrophobicContact CG1-CE1 4.15Å; V230-F267 HydrophobicContact CG2-CE1 4.5Å; L255-F267 HydrophobicContact CD2-CB 4.25Å; L255-F267 HydrophobicContact CD2-CD1 3.75Å; L255-F267 HydrophobicContact CD2-CG 4.47Å; L255-F267 VanDerWaalsContact O-CB 3.29Å; L255-F267 WeakPolarHBondContact O-CB 3.5Å; A258-F267 HydrophobicContact CB-CB 4.34Å; A258-F267 HydrophobicContact CB-CD1 4.18Å; A258-F267 HydrophobicContact CB-CD2 3.71Å; A258-F267 HydrophobicContact CB-CE1 4.37Å; A258-F267 HydrophobicContact CB-CE2 3.93Å; A258-F267 HydrophobicContact CB-CG 3.84Å; A258-F267 HydrophobicContact CB-CZ 4.24Å; K264-F267 HydrophobicContact CB-CD2 3.79Å; K264-F267 HydrophobicContact CB-CE2 3.82Å; K264-F267 HydrophobicContact CD-CE2 4.01Å; K264-F267 HydrophobicContact CG-CE2 4.37Å; K264-F267 PolarHBondContact O-N 2.94Å; K264-F267 VanDerWaalsContact O-N 3.12Å; E265-F267 VanDerWaalsContact C-N 3.26Å; E265-F267 PolarHBondContact O-N 2.85Å; F267-K270 PolarHBondContact O-N 3.31Å; F267-A271 WeakPolarHBondContact O-CB 3.39Å; F267-A271 PolarHBondContact O-N 3.47Å
268	R	98.1	Very high	98.1	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-46.2	173.7	172.3	167.7	173.1	-127.8	-1	112	P138 I140 Y259 E265 K270 A271 V272 L329	P138-R268 PolarHBondContact O-NH2 3.27Å; I140-R268 VanDerWaalsContact CD1-NH2 3.27Å; Y259-R268 HydrophobicContact CD1-CB 4.27Å; Y259-R268 HydrophobicContact CD2-CB 3.52Å; Y259-R268 HydrophobicContact CE2-CB 3.84Å; Y259-R268 HydrophobicContact CE2-CG 4.42Å; Y259-R268 HydrophobicContact CG-CB 3.75Å; Y259-R268 VanDerWaalsContact CZ-CD 3.47Å; E265-R268 VanDerWaalsContact CD-NH1 3.33Å; E265-R268 PolarHBondContact O-N 3.44Å; E265-R268 IonicContact OE1-CZ 3.64Å; E265-R268 IonicContact OE1-NH1 3.04Å; E265-R268 PolarHBondContact OE1-NH1 3.26Å; E265-R268 WeakPolarHBondContact OE2-CD 3.44Å; E265-R268 IonicContact OE2-CZ 3.1Å; E265-R268 IonicContact OE2-NE 2.61Å; E265-R268 IonicContact OE2-NH1 3.66Å; E265-R268 PolarHBondContact OE2-NH1 3.48Å; R268-K270 PolarHBondContact O-N 2.96Å; R268-A271 PolarHBondContact O-N 3Å; R268-V272 WeakPolarHBondContact O-CG2 3.48Å; R268-V272 PolarHBondContact O-N 3.41Å; R268-L329 HydrophobicContact CG-CB 4.36Å; R268-L329 HydrophobicContact CG-CD1 4.17Å; R268-L329 PolarHBondContact NE-O 3.28Å; R268-L329 PolarHBondContact NH2-O 3.44Å
269	R	97.8	Very high	98.1	Very high	94 Å²	94	25.9 Å²	25.9	36%	0.355	12%	0.123	S	C	.	.	H	α-helix	trans	-56	-47.8	173.2	175.3	167.9	57.9	95.8	-8.7	111.4	I137 E231 E265 E273	I137-R269 HydrophobicContact CD1-CB 4.48Å; E231-R269 IonicContact OE1-NH2 3.18Å; E231-R269 PolarHBondContact OE1-NH2 3.41Å; E265-R269 VanDerWaalsContact O-CB 3.3Å; E265-R269 WeakPolarHBondContact O-CB 3.31Å; E265-R269 PolarHBondContact O-N 3.2Å; R269-E273 WeakPolarHBondContact O-CB 3.45Å; R269-E273 PolarHBondContact O-N 2.91Å
270	K	98.4	Very high	98	Very high	17 Å²	17	26.6 Å²	26.6	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-69.7	-36.6	179.4	-75.8	-75.1	165.5	-166.3	0	113.3	V230 L234 F236 L255 V266 F267 R268 E273 L274	V230-K270 HydrophobicContact CG1-CG 4.44Å; L234-K270 VanDerWaalsContact O-CE 3.22Å; L234-K270 WeakPolarHBondContact O-CE 3.44Å; L234-K270 PolarHBondContact O-NZ 3.17Å; F236-K270 HydrophobicContact CD2-CD 4.37Å; F236-K270 HydrophobicContact CE2-CB 4.18Å; F236-K270 HydrophobicContact CE2-CD 3.58Å; F236-K270 WeakPolarHBondContact CE2-O 3.11Å; F236-K270 HydrophobicContact CZ-CB 4.49Å; F236-K270 HydrophobicContact CZ-CD 4.19Å; L255-K270 HydrophobicContact CD1-CB 3.76Å; L255-K270 HydrophobicContact CD2-CB 4.25Å; V266-K270 WeakPolarHBondContact O-CB 3.38Å; V266-K270 WeakPolarHBondContact O-CG 3.42Å; V266-K270 PolarHBondContact O-N 3.23Å; F267-K270 PolarHBondContact O-N 3.31Å; R268-K270 PolarHBondContact O-N 2.96Å; K270-E273 WeakPolarHBondContact CD-OE2 3.32Å; K270-E273 VanDerWaalsContact CE-OE2 3.25Å; K270-E273 WeakPolarHBondContact CE-OE2 3.45Å; K270-E273 VanDerWaalsContact NZ-CD 3.28Å; K270-E273 IonicContact NZ-OE1 3.43Å; K270-E273 PolarHBondContact NZ-OE1 3.5Å; K270-E273 IonicContact NZ-OE2 2.86Å; K270-E273 PolarHBondContact NZ-OE2 3.09Å; K270-E273 PolarHBondContact O-N 3.05Å; K270-L274 WeakPolarHBondContact O-CB 3.18Å; K270-L274 PolarHBondContact O-N 3.33Å
271	A	98.7	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-45.8	174.9	0	0	0	0	0	111.4	L255 L256 F267 R268 L274 G275 L326	L255-A271 HydrophobicContact CB-CB 3.92Å; L256-A271 HydrophobicContact CD2-CB 4.05Å; L256-A271 HydrophobicContact CG-CB 4.19Å; F267-A271 WeakPolarHBondContact O-CB 3.39Å; F267-A271 PolarHBondContact O-N 3.47Å; R268-A271 PolarHBondContact O-N 3Å; A271-L274 PolarHBondContact O-N 3.1Å; A271-G275 PolarHBondContact O-N 3.38Å; A271-L326 HydrophobicContact CB-CD2 4.2Å; A271-L326 WeakPolarHBondContact O-CD2 3.31Å
272	V	98.5	Very high	98.1	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-67	-44.6	177.1	177.1	0	0	0	0	111.5	I137 R268 L274 G275 E276 L326	I137-V272 HydrophobicContact CD1-CB 3.9Å; I137-V272 HydrophobicContact CD1-CG1 4.08Å; I137-V272 HydrophobicContact CD1-CG2 4.16Å; I137-V272 HydrophobicContact CG1-CG1 4.27Å; R268-V272 WeakPolarHBondContact O-CG2 3.48Å; R268-V272 PolarHBondContact O-N 3.41Å; V272-L274 VanDerWaalsContact C-N 3.28Å; V272-L274 PolarHBondContact O-N 2.79Å; V272-G275 PolarHBondContact O-N 3.32Å; V272-E276 WeakPolarHBondContact O-CG 3.29Å; V272-E276 PolarHBondContact O-N 3.32Å; V272-L326 HydrophobicContact CG2-CD2 4.26Å
273	E	97.9	Very high	98.1	Very high	42 Å²	42	32.9 Å²	32.9	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-54.6	-43.2	174.9	-172.9	-169.2	145.7	0	0	111.8	F236 R269 K270 K277	F236-E273 HydrophobicContact CD2-CB 4.31Å; F236-E273 HydrophobicContact CD2-CG 3.99Å; F236-E273 WeakPolarHBondContact CD2-OE1 3.23Å; F236-E273 HydrophobicContact CE2-CB 4.47Å; R269-E273 WeakPolarHBondContact O-CB 3.45Å; R269-E273 PolarHBondContact O-N 2.91Å; K270-E273 WeakPolarHBondContact CD-OE2 3.32Å; K270-E273 VanDerWaalsContact CE-OE2 3.25Å; K270-E273 WeakPolarHBondContact CE-OE2 3.45Å; K270-E273 VanDerWaalsContact NZ-CD 3.28Å; K270-E273 IonicContact NZ-OE1 3.43Å; K270-E273 PolarHBondContact NZ-OE1 3.5Å; K270-E273 IonicContact NZ-OE2 2.86Å; K270-E273 PolarHBondContact NZ-OE2 3.09Å; K270-E273 PolarHBondContact O-N 3.05Å; E273-K277 WeakPolarHBondContact O-CG 3.04Å; E273-K277 PolarHBondContact O-N 3.19Å
274	L	98.3	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-72.4	-41.3	176.6	-177.1	54.8	0	0	0	112.6	F236 V247 F251 V252 K270 A271 V272 E276 K277 L278 L295	F236-L274 HydrophobicContact CB-CD1 4.42Å; F236-L274 HydrophobicContact CD1-CD1 3.8Å; F236-L274 HydrophobicContact CD1-CD2 4.46Å; F236-L274 HydrophobicContact CD1-CG 4.5Å; F236-L274 HydrophobicContact CD2-CB 3.97Å; F236-L274 HydrophobicContact CD2-CD1 4.43Å; F236-L274 HydrophobicContact CE1-CB 4.33Å; F236-L274 HydrophobicContact CE1-CD1 4.09Å; F236-L274 HydrophobicContact CE1-CD2 3.9Å; F236-L274 HydrophobicContact CE1-CG 4.34Å; F236-L274 HydrophobicContact CE2-CB 3.73Å; F236-L274 HydrophobicContact CG-CB 4.37Å; F236-L274 HydrophobicContact CG-CD1 3.98Å; F236-L274 HydrophobicContact CZ-CB 3.91Å; F236-L274 HydrophobicContact CZ-CD2 3.99Å; F236-L274 HydrophobicContact CZ-CG 4.37Å; V247-L274 HydrophobicContact CG1-CD1 3.76Å; V247-L274 HydrophobicContact CG1-CD2 3.8Å; V247-L274 HydrophobicContact CG1-CG 4.15Å; F251-L274 HydrophobicContact CB-CD2 3.44Å; F251-L274 VanDerWaalsContact CB-CD2 3.44Å; F251-L274 HydrophobicContact CG-CD2 4.44Å; V252-L274 HydrophobicContact CG2-CB 4.35Å; V252-L274 HydrophobicContact CG2-CD2 3.65Å; V252-L274 HydrophobicContact CG2-CG 3.84Å; K270-L274 WeakPolarHBondContact O-CB 3.18Å; K270-L274 PolarHBondContact O-N 3.33Å; A271-L274 PolarHBondContact O-N 3.1Å; V272-L274 VanDerWaalsContact C-N 3.28Å; V272-L274 PolarHBondContact O-N 2.79Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.49Å; L274-K277 WeakPolarHBondContact O-CA 3.48Å; L274-K277 WeakPolarHBondContact O-CB 3.48Å; L274-K277 PolarHBondContact O-N 2.93Å; L274-L278 WeakPolarHBondContact O-CG 3.29Å; L274-L278 PolarHBondContact O-N 3.12Å; L274-L278 VanDerWaalsContact O-N 3.09Å; L274-L295 HydrophobicContact CD1-CD1 4.27Å
275	G	98.3	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.3	-48.4	175.6	0	0	0	0	0	111.9	A271 V272 K277 L278 L279 F335	A271-G275 PolarHBondContact O-N 3.38Å; V272-G275 PolarHBondContact O-N 3.32Å; G275-K277 VanDerWaalsContact C-N 3.25Å; G275-K277 PolarHBondContact O-N 3.33Å; G275-L278 PolarHBondContact O-N 3.47Å; G275-L279 PolarHBondContact O-N 3.23Å; G275-F335 VanDerWaalsContact C-CE1 3.42Å
276	E	97.8	Very high	98.3	Very high	96 Å²	96	32.6 Å²	32.6	45%	0.449	16%	0.159	S	C	.	.	H	α-helix	trans	-58.7	-37.2	176.1	-70.8	-175.5	168.2	0	0	112.2	V272 L274 L278 L279 F335	V272-E276 WeakPolarHBondContact O-CG 3.29Å; V272-E276 PolarHBondContact O-N 3.32Å; L274-E276 VanDerWaalsContact C-N 3.34Å; L274-E276 PolarHBondContact O-N 3.49Å; E276-L278 VanDerWaalsContact C-N 3.29Å; E276-L278 PolarHBondContact O-N 2.94Å; E276-L279 PolarHBondContact O-N 2.9Å; E276-F335 HydrophobicContact CG-CZ 3.97Å
277	K	97.9	Very high	98.3	Very high	60 Å²	60	32.7 Å²	32.7	26%	0.261	16%	0.163	S	C	.	.	H	α-helix	trans	-67.7	-24.1	175.4	-67.3	-80.2	-177.1	175	0	113.5	F236 E273 L274 G275 P280 L293 L295	F236-K277 HydrophobicContact CB-CG 4.35Å; E273-K277 WeakPolarHBondContact O-CG 3.04Å; E273-K277 PolarHBondContact O-N 3.19Å; L274-K277 WeakPolarHBondContact O-CA 3.48Å; L274-K277 WeakPolarHBondContact O-CB 3.48Å; L274-K277 PolarHBondContact O-N 2.93Å; G275-K277 VanDerWaalsContact C-N 3.25Å; G275-K277 PolarHBondContact O-N 3.33Å; K277-P280 WeakPolarHBondContact O-CD 3.46Å; K277-L293 VanDerWaalsContact O-CD2 3.22Å; K277-L293 WeakPolarHBondContact O-CD2 3.21Å; K277-L295 HydrophobicContact CB-CD2 4.28Å; K277-L295 WeakPolarHBondContact CD-O 3.34Å
278	L	98.6	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-87.4	-22.2	177.2	-64.4	177.9	0	0	0	113.7	V244 V247 N248 V252 L274 G275 E276 P280 A281 L293 L295 F323	V244-L278 HydrophobicContact CG1-CD2 4.39Å; V247-L278 HydrophobicContact CG1-CD2 4.34Å; N248-L278 HydrophobicContact CB-CD1 4.36Å; V252-L278 HydrophobicContact CG2-CD1 4.17Å; L274-L278 WeakPolarHBondContact O-CG 3.29Å; L274-L278 PolarHBondContact O-N 3.12Å; L274-L278 VanDerWaalsContact O-N 3.09Å; G275-L278 PolarHBondContact O-N 3.47Å; E276-L278 VanDerWaalsContact C-N 3.29Å; E276-L278 PolarHBondContact O-N 2.94Å; L278-P280 VanDerWaalsContact C-N 3.28Å; L278-P280 VanDerWaalsContact O-N 3.1Å; L278-A281 VanDerWaalsContact O-CB 3.27Å; L278-A281 WeakPolarHBondContact O-CB 3.3Å; L278-A281 PolarHBondContact O-N 3.26Å; L278-L293 HydrophobicContact CD2-CD2 4.41Å; L278-L295 HydrophobicContact CD2-CD2 3.97Å; L278-F323 HydrophobicContact CB-CZ 4.24Å
279	L	98.6	Very high	98.3	Very high	21 Å²	21	32.7 Å²	32.7	11%	0.11	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-49.3	-34.5	178	-71	174.9	0	0	0	115.6	G275 E276 A281 F282 F323 E334 F335 K338	G275-L279 PolarHBondContact O-N 3.23Å; E276-L279 PolarHBondContact O-N 2.9Å; L279-A281 PolarHBondContact O-N 3.39Å; L279-F282 PolarHBondContact O-N 3.09Å; L279-F323 HydrophobicContact CD2-CE1 4.41Å; L279-E334 HydrophobicContact CD1-CG 4.5Å; L279-E334 HydrophobicContact CD2-CG 4.01Å; L279-F335 HydrophobicContact CD1-CD1 4.46Å; L279-F335 HydrophobicContact CD1-CE1 3.8Å; L279-F335 HydrophobicContact CD1-CZ 4.26Å; L279-F335 HydrophobicContact CD2-CD1 3.65Å; L279-F335 HydrophobicContact CD2-CE1 3.77Å; L279-F335 HydrophobicContact CG-CD1 4.13Å; L279-F335 HydrophobicContact CG-CE1 3.72Å; L279-K338 HydrophobicContact CD2-CG 4.04Å
280	P	98.6	Very high	98.4	Very high	19 Å²	19	30.5 Å²	30.5	12%	0.123	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-63.9	-19.6	175.5	-23.2	35.4	0	0	0	115.3	K277 L278 F282 K283 L293 G298	K277-P280 WeakPolarHBondContact O-CD 3.46Å; L278-P280 VanDerWaalsContact C-N 3.28Å; L278-P280 VanDerWaalsContact O-N 3.1Å; P280-F282 PolarHBondContact O-N 2.61Å; P280-K283 HydrophobicContact CB-CD 4.15Å; P280-K283 VanDerWaalsContact O-CB 3.32Å; P280-K283 WeakPolarHBondContact O-CB 3.09Å; P280-K283 WeakPolarHBondContact O-CG 3.3Å; P280-K283 PolarHBondContact O-N 3.28Å; P280-K283 VanDerWaalsContact O-N 3.13Å; P280-L293 HydrophobicContact CB-CD1 4.04Å; P280-L293 HydrophobicContact CB-CD2 4.4Å; P280-G298 WeakPolarHBondContact CB-O 3.37Å
281	A	98.7	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.3	-33.8	175.9	0	0	0	0	0	112.3	V244 L278 L279 K283 P289 W290 L293	V244-A281 HydrophobicContact CG1-CB 4.08Å; V244-A281 HydrophobicContact CG2-CB 3.76Å; L278-A281 VanDerWaalsContact O-CB 3.27Å; L278-A281 WeakPolarHBondContact O-CB 3.3Å; L278-A281 PolarHBondContact O-N 3.26Å; L279-A281 PolarHBondContact O-N 3.39Å; A281-K283 PolarHBondContact O-N 3.08Å; A281-P289 HydrophobicContact CB-CB 3.97Å; A281-P289 VanDerWaalsContact O-CA 3.3Å; A281-P289 WeakPolarHBondContact O-CA 3.29Å; A281-W290 VanDerWaalsContact O-CD1 3.29Å; A281-W290 PolarHBondContact O-N 3.05Å; A281-L293 HydrophobicContact CB-CD2 4.16Å
282	F	98.8	Very high	98.4	Very high	14 Å²	14	30.3 Å²	30.3	6%	0.061	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-79.8	5.8	-178.6	-56.3	-92.2	0	0	0	113.7	L279 P280 T284 P289 L319 F323 K338 I342	L279-F282 PolarHBondContact O-N 3.09Å; P280-F282 PolarHBondContact O-N 2.61Å; F282-T284 PolarHBondContact O-N 2.84Å; F282-P289 HydrophobicContact CD1-CB 3.77Å; F282-P289 HydrophobicContact CD1-CG 3.96Å; F282-P289 HydrophobicContact CE1-CB 3.84Å; F282-P289 HydrophobicContact CE1-CG 3.67Å; F282-P289 HydrophobicContact CG-CB 4.16Å; F282-P289 HydrophobicContact CZ-CB 4.27Å; F282-P289 HydrophobicContact CZ-CG 4.28Å; F282-L319 HydrophobicContact CE1-CD1 4.15Å; F282-L319 HydrophobicContact CZ-CD1 3.78Å; F282-F323 HydrophobicContact CD2-CE1 4.47Å; F282-F323 HydrophobicContact CE2-CD1 4.44Å; F282-F323 AromaticContact CE2-CE1 3.42Å; F282-F323 HydrophobicContact CE2-CE1 3.42Å; F282-F323 VanDerWaalsContact CE2-CE1 3.42Å; F282-F323 AromaticContact CE2-CZ 3.64Å; F282-F323 HydrophobicContact CE2-CZ 3.64Å; F282-F323 HydrophobicContact CZ-CD1 4.26Å; F282-F323 AromaticContact CZ-CE1 3.59Å; F282-F323 HydrophobicContact CZ-CE1 3.59Å; F282-F323 AromaticContact CZ-CZ 3.84Å; F282-F323 HydrophobicContact CZ-CZ 3.84Å; F282-K338 HydrophobicContact CB-CD 4.01Å; F282-K338 HydrophobicContact CB-CG 4.29Å; F282-K338 HydrophobicContact CD1-CB 3.69Å; F282-K338 HydrophobicContact CD1-CD 4.48Å; F282-K338 HydrophobicContact CD1-CG 4.06Å; F282-K338 HydrophobicContact CD2-CB 4.26Å; F282-K338 HydrophobicContact CD2-CD 4.48Å; F282-K338 HydrophobicContact CD2-CG 3.88Å; F282-K338 HydrophobicContact CE1-CB 3.67Å; F282-K338 HydrophobicContact CE1-CG 4.34Å; F282-K338 HydrophobicContact CE2-CB 4.26Å; F282-K338 HydrophobicContact CE2-CG 4.19Å; F282-K338 HydrophobicContact CG-CB 3.98Å; F282-K338 HydrophobicContact CG-CD 4.08Å; F282-K338 HydrophobicContact CG-CG 3.8Å; F282-K338 HydrophobicContact CZ-CB 3.95Å; F282-K338 HydrophobicContact CZ-CG 4.39Å; F282-I342 HydrophobicContact CE1-CD1 3.83Å
283	K	98.1	Very high	98.4	Very high	155 Å²	155	30.1 Å²	30.1	67%	0.674	15%	0.154	S	C	*	.			trans	-80.4	67.3	176.8	-65.5	176.2	-179.4	173.7	0	110.6	P280 A281	P280-K283 HydrophobicContact CB-CD 4.15Å; P280-K283 VanDerWaalsContact O-CB 3.32Å; P280-K283 WeakPolarHBondContact O-CB 3.09Å; P280-K283 WeakPolarHBondContact O-CG 3.3Å; P280-K283 PolarHBondContact O-N 3.28Å; P280-K283 VanDerWaalsContact O-N 3.13Å; A281-K283 PolarHBondContact O-N 3.08Å
284	T	98.4	Very high	98.4	Very high	19 Å²	19	29 Å²	29	12%	0.117	15%	0.15	C	C	.	.	S	Bend	trans	-128.2	159.5	177.1	70.9	0	0	0	0	110.1	F282 T286 G287 I288 W290 P362	F282-T284 PolarHBondContact O-N 2.84Å; T284-T286 PolarHBondContact O-N 3.25Å; T284-T286 VanDerWaalsContact O-N 3.1Å; T284-T286 PolarHBondContact OG1-OG1 3.47Å; T284-G287 PolarHBondContact O-N 2.87Å; T284-G287 WeakPolarHBondContact OG1-CA 3.41Å; T284-G287 PolarHBondContact OG1-N 2.96Å; T284-I288 WeakPolarHBondContact CB-O 3.32Å; T284-I288 WeakPolarHBondContact CG2-O 3.3Å; T284-I288 PolarHBondContact OG1-N 3.1Å; T284-I288 PolarHBondContact OG1-O 2.74Å; T284-W290 HydrophobicContact CG2-CD2 3.89Å; T284-W290 HydrophobicContact CG2-CG 4.13Å; T284-W290 HydrophobicContact CG2-CZ2 3.89Å; T284-P362 HydrophobicContact CG2-CB 4.05Å
285	P	98.3	Very high	98.2	Very high	99 Å²	99	29.3 Å²	29.3	64%	0.643	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.3	179.3	-27.9	36.2	0	0	0	115.1	N363	P285-N363 WeakPolarHBondContact CD-OD1 3.29Å; P285-N363 HydrophobicContact CG-CB 4.31Å
286	T	98.1	Very high	98.1	Very high	27 Å²	27	35.1 Å²	35.1	17%	0.166	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-18.4	-179.8	58.7	0	0	0	0	113.7	T284 I288 N341 P362 G365	T284-T286 PolarHBondContact O-N 3.25Å; T284-T286 VanDerWaalsContact O-N 3.1Å; T284-T286 PolarHBondContact OG1-OG1 3.47Å; T286-I288 PolarHBondContact O-N 2.68Å; T286-I288 WeakPolarHBondContact OG1-CB 3.27Å; T286-I288 WeakPolarHBondContact OG1-CG1 3.49Å; T286-I288 PolarHBondContact OG1-N 3.13Å; T286-I288 VanDerWaalsContact OG1-N 3.09Å; T286-N341 PolarHBondContact O-ND2 2.66Å; T286-P362 WeakPolarHBondContact CB-O 3.39Å; T286-P362 WeakPolarHBondContact CG2-O 3.43Å; T286-P362 PolarHBondContact N-O 2.91Å; T286-P362 WeakPolarHBondContact OG1-CA 3.5Å; T286-P362 PolarHBondContact OG1-O 3.39Å; T286-G365 VanDerWaalsContact CG2-CA 3.45Å
287	G	98.2	Very high	98	Very high	15 Å²	15	33.9 Å²	33.9	16%	0.155	18%	0.179	C	C	.	.	S	Bend	trans	73.3	7.6	-165.5	0	0	0	0	0	114.6	T284	T284-G287 PolarHBondContact O-N 2.87Å; T284-G287 WeakPolarHBondContact OG1-CA 3.41Å; T284-G287 PolarHBondContact OG1-N 2.96Å
288	I	98.7	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-73.8	126	162.7	-61.9	-67.8	0	0	0	107.5	T284 T286 Y316 I342 V345 L360 P362	T284-I288 WeakPolarHBondContact CB-O 3.32Å; T284-I288 WeakPolarHBondContact CG2-O 3.3Å; T284-I288 PolarHBondContact OG1-N 3.1Å; T284-I288 PolarHBondContact OG1-O 2.74Å; T286-I288 PolarHBondContact O-N 2.68Å; T286-I288 WeakPolarHBondContact OG1-CB 3.27Å; T286-I288 WeakPolarHBondContact OG1-CG1 3.49Å; T286-I288 PolarHBondContact OG1-N 3.13Å; T286-I288 VanDerWaalsContact OG1-N 3.09Å; I288-Y316 HydrophobicContact CD1-CD2 4.39Å; I288-Y316 HydrophobicContact CD1-CE2 4.47Å; I288-Y316 HydrophobicContact CG2-CD1 3.8Å; I288-Y316 HydrophobicContact CG2-CD2 4.49Å; I288-Y316 HydrophobicContact CG2-CE1 4.19Å; I288-Y316 HydrophobicContact CG2-CG 3.99Å; I288-I342 HydrophobicContact CD1-CB 4.29Å; I288-I342 HydrophobicContact CD1-CG1 4.03Å; I288-I342 HydrophobicContact CD1-CG2 4.14Å; I288-V345 HydrophobicContact CD1-CB 4Å; I288-V345 HydrophobicContact CD1-CG1 3.97Å; I288-V345 HydrophobicContact CD1-CG2 4.38Å; I288-V345 HydrophobicContact CG1-CB 4.36Å; I288-V345 HydrophobicContact CG1-CG1 3.98Å; I288-V345 HydrophobicContact CG1-CG2 4.43Å; I288-L360 HydrophobicContact CG1-CD2 3.93Å; I288-L360 HydrophobicContact CG2-CD2 4.42Å; I288-P362 HydrophobicContact CB-CB 4.09Å; I288-P362 HydrophobicContact CG2-CB 4.21Å; I288-P362 WeakPolarHBondContact O-CB 3.48Å
289	P	98.8	Very high	97.9	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.026	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-70	157.4	-172	26.7	-34.5	0	0	0	114	A281 F282 S311 L319 I342	A281-P289 HydrophobicContact CB-CB 3.97Å; A281-P289 VanDerWaalsContact O-CA 3.3Å; A281-P289 WeakPolarHBondContact O-CA 3.29Å; F282-P289 HydrophobicContact CD1-CB 3.77Å; F282-P289 HydrophobicContact CD1-CG 3.96Å; F282-P289 HydrophobicContact CE1-CB 3.84Å; F282-P289 HydrophobicContact CE1-CG 3.67Å; F282-P289 HydrophobicContact CG-CB 4.16Å; F282-P289 HydrophobicContact CZ-CB 4.27Å; F282-P289 HydrophobicContact CZ-CG 4.28Å; P289-S311 WeakPolarHBondContact O-CB 3.11Å; P289-S311 PolarHBondContact O-OG 3.43Å; P289-L319 HydrophobicContact CG-CD1 3.89Å; P289-I342 HydrophobicContact CG-CD1 4.38Å
290	W	98.8	Very high	97.9	Very high	47 Å²	47	36.3 Å²	36.3	18%	0.178	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-68.1	140.7	161.5	-62.2	119.6	0	0	0	111.3	V244 A281 T284 N302 P362	V244-W290 WeakPolarHBondContact CG2-O 3.47Å; A281-W290 VanDerWaalsContact O-CD1 3.29Å; A281-W290 PolarHBondContact O-N 3.05Å; T284-W290 HydrophobicContact CG2-CD2 3.89Å; T284-W290 HydrophobicContact CG2-CG 4.13Å; T284-W290 HydrophobicContact CG2-CZ2 3.89Å; W290-N302 WeakPolarHBondContact CA-OD1 3.4Å; W290-N302 HydrophobicContact CE3-CB 4.42Å; W290-P362 HydrophobicContact CE3-CG 3.94Å; W290-P362 HydrophobicContact CH2-CG 4.08Å; W290-P362 HydrophobicContact CZ3-CG 3.52Å
291	A	98.4	Very high	97.8	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	22%	0.217	C	C	.	.	S	Bend	trans	-62.9	-42.1	174.7	0	0	0	0	0	113.1	S243 V244 R301 N302 W303 E315	S243-A291 WeakPolarHBondContact CA-O 3.4Å; V244-A291 PolarHBondContact N-O 3.42Å; A291-R301 PolarHBondContact N-O 3.44Å; A291-N302 PolarHBondContact N-OD1 3.27Å; A291-W303 HydrophobicContact CB-CG 4.42Å; A291-E315 WeakPolarHBondContact CB-OE2 3.18Å
292	L	98.6	Very high	97.8	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.2	-178.2	-66.7	168	0	0	0	110.7	V242 G300 R301 W303	V242-L292 CarbonylContact O-C 3.59Å; V242-L292 VanDerWaalsContact O-CA 3.3Å; V242-L292 WeakPolarHBondContact O-CA 3.45Å; L292-G300 CarbonylContact O-C 3.57Å; L292-G300 WeakPolarHBondContact O-CA 3.35Å; L292-R301 HydrophobicContact CB-CG 4.22Å; L292-R301 WeakPolarHBondContact CB-O 3.34Å; L292-R301 VanDerWaalsContact CD1-NH1 3.34Å; L292-R301 PolarHBondContact N-O 3.12Å; L292-R301 PolarHBondContact O-N 2.92Å; L292-W303 HydrophobicContact CD1-CD2 4.27Å; L292-W303 HydrophobicContact CD1-CE3 3.81Å; L292-W303 HydrophobicContact CD1-CH2 4.5Å; L292-W303 HydrophobicContact CD1-CZ3 3.93Å; L292-W303 HydrophobicContact CD2-CE3 4.48Å; L292-W303 HydrophobicContact CD2-CH2 3.72Å; L292-W303 HydrophobicContact CD2-CZ2 4.11Å; L292-W303 HydrophobicContact CD2-CZ3 3.93Å; L292-W303 HydrophobicContact CG-CD2 4.45Å; L292-W303 HydrophobicContact CG-CE3 4.32Å; L292-W303 HydrophobicContact CG-CH2 4.34Å; L292-W303 HydrophobicContact CG-CZ2 4.48Å; L292-W303 HydrophobicContact CG-CZ3 4.26Å
293	L	98.4	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.1	178.2	-177.9	68.4	0	0	0	111.8	E241 V242 V244 K277 L278 P280 A281 L295	E241-L293 CarbonylContact C-O 3.6Å; E241-L293 WeakPolarHBondContact CA-O 3.4Å; V242-L293 PolarHBondContact N-O 3.3Å; V242-L293 PolarHBondContact O-N 3.43Å; V244-L293 HydrophobicContact CG2-CB 3.63Å; K277-L293 VanDerWaalsContact O-CD2 3.22Å; K277-L293 WeakPolarHBondContact O-CD2 3.21Å; L278-L293 HydrophobicContact CD2-CD2 4.41Å; P280-L293 HydrophobicContact CB-CD1 4.04Å; P280-L293 HydrophobicContact CB-CD2 4.4Å; A281-L293 HydrophobicContact CB-CD2 4.16Å; L293-L295 HydrophobicContact CD2-CD2 4.05Å; L293-L295 HydrophobicContact CG-CD2 4.38Å
294	N	98.2	Very high	97.6	Very high	20 Å²	20	39.8 Å²	39.8	11%	0.107	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.9	165.6	179.2	-51	0	0	0	110.6	N239 A240 E241 K296 S297 G298 V299	N239-N294 PolarHBondContact OD1-ND2 2.83Å; A240-N294 WeakPolarHBondContact O-CA 3.29Å; E241-N294 HydrophobicContact CG-CB 4.19Å; N294-K296 PolarHBondContact O-N 3.39Å; N294-K296 WeakPolarHBondContact OD1-CA 3.37Å; N294-K296 PolarHBondContact OD1-N 2.93Å; N294-S297 WeakPolarHBondContact CB-OG 3.42Å; N294-S297 VanDerWaalsContact CG-OG 3.3Å; N294-S297 PolarHBondContact O-N 3.12Å; N294-S297 PolarHBondContact OD1-N 2.91Å; N294-S297 PolarHBondContact OD1-OG 2.97Å; N294-G298 WeakPolarHBondContact O-CA 3.46Å; N294-G298 PolarHBondContact O-N 2.85Å; N294-V299 PolarHBondContact N-O 3.16Å
295	L	94.9	Very high	97.5	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.4	-173.2	-58.2	-171.4	0	0	0	114.7	I202 V238 V242 L274 K277 L278 L293	I202-L295 HydrophobicContact CD1-CD1 3.86Å; I202-L295 HydrophobicContact CG1-CD1 4.19Å; V238-L295 HydrophobicContact CG2-CD1 4.35Å; V242-L295 HydrophobicContact CG1-CD1 4.33Å; V242-L295 HydrophobicContact CG1-CG 4.32Å; V242-L295 HydrophobicContact CG2-CD1 4.24Å; V242-L295 HydrophobicContact CG2-CD2 3.83Å; V242-L295 HydrophobicContact CG2-CG 3.98Å; L274-L295 HydrophobicContact CD1-CD1 4.27Å; K277-L295 HydrophobicContact CB-CD2 4.28Å; K277-L295 WeakPolarHBondContact CD-O 3.34Å; L278-L295 HydrophobicContact CD2-CD2 3.97Å; L293-L295 HydrophobicContact CD2-CD2 4.05Å; L293-L295 HydrophobicContact CG-CD2 4.38Å
296	K	94.7	Very high	97.4	Very high	122 Å²	122	41.3 Å²	41.3	53%	0.53	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-39.9	177.6	-169.5	169.6	-166.9	157	0	113.3	V238 N239 N294	V238-K296 WeakPolarHBondContact O-CB 3.44Å; N239-K296 HydrophobicContact CB-CB 4.33Å; N239-K296 HydrophobicContact CB-CD 3.89Å; N294-K296 PolarHBondContact O-N 3.39Å; N294-K296 WeakPolarHBondContact OD1-CA 3.37Å; N294-K296 PolarHBondContact OD1-N 2.93Å
297	S	96.6	Very high	97	Very high	69 Å²	69	41.4 Å²	41.4	48%	0.483	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-19.1	-179.9	67.6	0	0	0	0	113.7	N294 V299	N294-S297 WeakPolarHBondContact CB-OG 3.42Å; N294-S297 VanDerWaalsContact CG-OG 3.3Å; N294-S297 PolarHBondContact O-N 3.12Å; N294-S297 PolarHBondContact OD1-N 2.91Å; N294-S297 PolarHBondContact OD1-OG 2.97Å; S297-V299 PolarHBondContact O-N 3.31Å; S297-V299 PolarHBondContact OG-N 3.24Å
298	G	96.4	Very high	96.7	Very high	24 Å²	24	43.8 Å²	43.8	25%	0.247	25%	0.248	C	C	.	.			trans	68.3	13.3	-172.7	0	0	0	0	0	113.8	P280 N294	P280-G298 WeakPolarHBondContact CB-O 3.37Å; N294-G298 WeakPolarHBondContact O-CA 3.46Å; N294-G298 PolarHBondContact O-N 2.85Å
299	V	97.9	Very high	96.5	Very high	93 Å²	93	45.5 Å²	45.5	56%	0.564	27%	0.265	S	S	*	.			trans	-85	126.2	175.7	177.1	0	0	0	0	108.9	N294 S297	N294-V299 PolarHBondContact N-O 3.16Å; S297-V299 PolarHBondContact O-N 3.31Å; S297-V299 PolarHBondContact OG-N 3.24Å
300	G	97.7	Very high	96.5	Very high	15 Å²	15	45.4 Å²	45.4	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162	176.9	0	0	0	0	0	113.4	L292	L292-G300 CarbonylContact O-C 3.57Å; L292-G300 WeakPolarHBondContact O-CA 3.35Å
301	R	98	Very high	96.5	Very high	87 Å²	87	43.2 Å²	43.2	33%	0.328	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	168	177.4	62.8	177.9	-177.6	82.2	0.4	110.9	E241 A291 L292	E241-R301 WeakPolarHBondContact OE1-CD 3.46Å; E241-R301 IonicContact OE1-CZ 3.32Å; E241-R301 IonicContact OE1-NE 2.76Å; E241-R301 PolarHBondContact OE1-NE 2.87Å; E241-R301 IonicContact OE1-NH2 2.69Å; E241-R301 IonicContact OE2-CZ 2.84Å; E241-R301 IonicContact OE2-NE 3.81Å; E241-R301 PolarHBondContact OE2-NE 2.74Å; E241-R301 IonicContact OE2-NH2 3.86Å; E241-R301 PolarHBondContact OE2-NH2 3.43Å; A291-R301 PolarHBondContact N-O 3.44Å; L292-R301 HydrophobicContact CB-CG 4.22Å; L292-R301 WeakPolarHBondContact CB-O 3.34Å; L292-R301 VanDerWaalsContact CD1-NH1 3.34Å; L292-R301 PolarHBondContact N-O 3.12Å; L292-R301 PolarHBondContact O-N 2.92Å
302	N	98.4	Very high	96.5	Very high	14 Å²	14	43 Å²	43	8%	0.075	26%	0.255	C	S	.	.			trans	-91.1	170.9	171	-75.7	-21.9	0	0	0	113.2	W290 A291 G309 S310 S311 P362	W290-N302 WeakPolarHBondContact CA-OD1 3.4Å; W290-N302 HydrophobicContact CE3-CB 4.42Å; A291-N302 PolarHBondContact N-OD1 3.27Å; N302-G309 PolarHBondContact ND2-O 2.9Å; N302-S310 PolarHBondContact ND2-O 3.02Å; N302-S311 PolarHBondContact ND2-N 2.79Å; N302-S311 PolarHBondContact ND2-OG 3.1Å; N302-S311 PolarHBondContact OD1-OG 3.22Å; N302-P362 WeakPolarHBondContact ND2-CG 3.16Å
303	W	97.3	Very high	96.5	Very high	47 Å²	47	42.6 Å²	42.6	18%	0.178	25%	0.253	C	S	.	.			trans	-59.6	136.7	175.4	-64.2	111.1	0	0	0	111.6	L198 A291 L292 W305 A306 E315	L198-W303 HydrophobicContact CD2-CH2 3.85Å; L198-W303 HydrophobicContact CD2-CZ2 4.37Å; A291-W303 HydrophobicContact CB-CG 4.42Å; L292-W303 HydrophobicContact CD1-CD2 4.27Å; L292-W303 HydrophobicContact CD1-CE3 3.81Å; L292-W303 HydrophobicContact CD1-CH2 4.5Å; L292-W303 HydrophobicContact CD1-CZ3 3.93Å; L292-W303 HydrophobicContact CD2-CE3 4.48Å; L292-W303 HydrophobicContact CD2-CH2 3.72Å; L292-W303 HydrophobicContact CD2-CZ2 4.11Å; L292-W303 HydrophobicContact CD2-CZ3 3.93Å; L292-W303 HydrophobicContact CG-CD2 4.45Å; L292-W303 HydrophobicContact CG-CE3 4.32Å; L292-W303 HydrophobicContact CG-CH2 4.34Å; L292-W303 HydrophobicContact CG-CZ2 4.48Å; L292-W303 HydrophobicContact CG-CZ3 4.26Å; W303-W305 HydrophobicContact CB-CD2 4.09Å; W303-W305 HydrophobicContact CB-CG 4.33Å; W303-W305 HydrophobicContact CB-CZ2 3.89Å; W303-W305 AromaticContact CD1-CZ2 3.71Å; W303-W305 HydrophobicContact CD2-CZ2 4.12Å; W303-W305 AromaticContact CD2-NE1 3.99Å; W303-W305 AromaticContact CE3-NE1 3.96Å; W303-W305 AromaticContact CG-CE2 3.79Å; W303-W305 HydrophobicContact CG-CH2 4.47Å; W303-W305 AromaticContact CG-CZ2 3.65Å; W303-W305 HydrophobicContact CG-CZ2 3.65Å; W303-W305 AromaticContact CG-NE1 3.86Å; W303-W305 PolarHBondContact O-N 3.01Å; W303-W305 VanDerWaalsContact O-N 3.1Å; W303-A306 HydrophobicContact CB-CB 4.05Å; W303-A306 PolarHBondContact O-N 3.49Å; W303-A306 VanDerWaalsContact O-N 3.09Å; W303-E315 VanDerWaalsContact NE1-CD 3.35Å; W303-E315 PolarHBondContact NE1-OE1 3.14Å; W303-E315 PolarHBondContact NE1-OE2 3.04Å
304	P	95.8	Very high	96.5	Very high	113 Å²	113	42.8 Å²	42.8	73%	0.734	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.6	-178.9	-23.5	34.8	0	0	0	114.6
305	W	95.6	Very high	96.5	Very high	143 Å²	143	42.9 Å²	42.9	54%	0.542	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.9	179.2	57.1	-101.9	0	0	0	113.7	W303 I312 Y359 L377	W303-W305 HydrophobicContact CB-CD2 4.09Å; W303-W305 HydrophobicContact CB-CG 4.33Å; W303-W305 HydrophobicContact CB-CZ2 3.89Å; W303-W305 AromaticContact CD1-CZ2 3.71Å; W303-W305 HydrophobicContact CD2-CZ2 4.12Å; W303-W305 AromaticContact CD2-NE1 3.99Å; W303-W305 AromaticContact CE3-NE1 3.96Å; W303-W305 AromaticContact CG-CE2 3.79Å; W303-W305 HydrophobicContact CG-CH2 4.47Å; W303-W305 AromaticContact CG-CZ2 3.65Å; W303-W305 HydrophobicContact CG-CZ2 3.65Å; W303-W305 AromaticContact CG-NE1 3.86Å; W303-W305 PolarHBondContact O-N 3.01Å; W303-W305 VanDerWaalsContact O-N 3.1Å; W305-I312 HydrophobicContact CH2-CD1 3.97Å; W305-I312 HydrophobicContact CH2-CG1 4.28Å; W305-I312 HydrophobicContact CZ3-CD1 4.13Å; W305-Y359 HydrophobicContact CZ3-CE1 4.18Å; W305-L377 HydrophobicContact CH2-CD2 3.92Å
306	A	95.8	Very high	96.7	Very high	7 Å²	7	42.8 Å²	42.8	6%	0.058	25%	0.253	C	S	.	.	S	Bend	trans	-70.2	137.1	-174.1	0	0	0	0	0	111.9	W303 G308 G309 S310 I312 Y359	W303-A306 HydrophobicContact CB-CB 4.05Å; W303-A306 PolarHBondContact O-N 3.49Å; W303-A306 VanDerWaalsContact O-N 3.09Å; A306-G308 PolarHBondContact O-N 3.06Å; A306-G308 VanDerWaalsContact O-N 3.14Å; A306-G309 PolarHBondContact O-N 2.92Å; A306-S310 VanDerWaalsContact CB-O 3.25Å; A306-S310 WeakPolarHBondContact CB-O 3.3Å; A306-I312 HydrophobicContact CB-CD1 4.24Å; A306-Y359 HydrophobicContact CB-CE1 4.46Å
307	S	90	Very high	96.9	Very high	29 Å²	29	37.4 Å²	37.4	20%	0.203	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-55.4	117.6	-173.2	-167.3	0	0	0	0	111.8	G309 S310 Q369	S307-G309 PolarHBondContact O-N 3.41Å; S307-S310 WeakPolarHBondContact O-CB 3.33Å; S307-S310 PolarHBondContact O-N 3.41Å; S307-S310 VanDerWaalsContact O-N 3.08Å; S307-S310 PolarHBondContact O-OG 2.99Å; S307-Q369 VanDerWaalsContact CB-CD 3.43Å; S307-Q369 WeakPolarHBondContact OG-CB 3.18Å; S307-Q369 VanDerWaalsContact OG-CD 3.3Å; S307-Q369 WeakPolarHBondContact OG-CG 3.46Å; S307-Q369 PolarHBondContact OG-OE1 2.7Å; S307-Q369 VanDerWaalsContact OG-OE1 3.14Å
308	G	91.5	Very high	97	Very high	66 Å²	66	34.1 Å²	34.1	68%	0.68	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	60.5	24	-178.3	0	0	0	0	0	115.1	A306 S310 N361	A306-G308 PolarHBondContact O-N 3.06Å; A306-G308 VanDerWaalsContact O-N 3.14Å; G308-S310 VanDerWaalsContact C-N 3.27Å; G308-S310 PolarHBondContact O-N 3.38Å; G308-N361 PolarHBondContact O-ND2 2.94Å
309	G	94.8	Very high	97.1	Very high	36 Å²	36	33 Å²	33	37%	0.371	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	68.9	24	-174.8	0	0	0	0	0	113.8	N302 A306 S307	N302-G309 PolarHBondContact ND2-O 2.9Å; A306-G309 PolarHBondContact O-N 2.92Å; S307-G309 PolarHBondContact O-N 3.41Å
310	S	98.2	Very high	97.2	Very high	1 Å²	1	29 Å²	29	1%	0.007	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-71.6	156.2	-178.5	-61.1	0	0	0	0	113.8	N302 A306 S307 G308 L360	N302-S310 PolarHBondContact ND2-O 3.02Å; A306-S310 VanDerWaalsContact CB-O 3.25Å; A306-S310 WeakPolarHBondContact CB-O 3.3Å; S307-S310 WeakPolarHBondContact O-CB 3.33Å; S307-S310 PolarHBondContact O-N 3.41Å; S307-S310 VanDerWaalsContact O-N 3.08Å; S307-S310 PolarHBondContact O-OG 2.99Å; G308-S310 VanDerWaalsContact C-N 3.27Å; G308-S310 PolarHBondContact O-N 3.38Å; S310-L360 WeakPolarHBondContact CA-O 3.11Å; S310-L360 WeakPolarHBondContact CB-O 3.41Å
311	S	98.6	Very high	97.2	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	154.2	165.1	-51.7	0	0	0	0	109	P289 N302 L360	P289-S311 WeakPolarHBondContact O-CB 3.11Å; P289-S311 PolarHBondContact O-OG 3.43Å; N302-S311 PolarHBondContact ND2-N 2.79Å; N302-S311 PolarHBondContact ND2-OG 3.1Å; N302-S311 PolarHBondContact OD1-OG 3.22Å; S311-L360 PolarHBondContact N-O 2.63Å; S311-L360 PolarHBondContact O-N 3.1Å
312	I	98.8	Very high	97.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.6	-173.7	-57.4	-55.1	0	0	0	111.2	W305 A306 A314 E315 Y316 N358 Y359 L377	W305-I312 HydrophobicContact CH2-CD1 3.97Å; W305-I312 HydrophobicContact CH2-CG1 4.28Å; W305-I312 HydrophobicContact CZ3-CD1 4.13Å; A306-I312 HydrophobicContact CB-CD1 4.24Å; I312-A314 PolarHBondContact O-N 3.39Å; I312-E315 HydrophobicContact CB-CB 4.04Å; I312-E315 HydrophobicContact CB-CG 3.8Å; I312-E315 HydrophobicContact CG1-CG 4.48Å; I312-E315 WeakPolarHBondContact CG1-OE1 3.45Å; I312-E315 HydrophobicContact CG2-CG 4.09Å; I312-E315 PolarHBondContact O-N 2.96Å; I312-E315 VanDerWaalsContact O-N 3.1Å; I312-Y316 VanDerWaalsContact C-CE1 3.45Å; I312-Y316 WeakPolarHBondContact O-CD1 3.3Å; I312-Y316 VanDerWaalsContact O-CE1 3.29Å; I312-Y316 WeakPolarHBondContact O-CE1 3.31Å; I312-Y316 PolarHBondContact O-N 3.5Å; I312-Y316 VanDerWaalsContact O-N 3.1Å; I312-N358 WeakPolarHBondContact CA-O 3.32Å; I312-Y359 HydrophobicContact CD1-CD1 3.67Å; I312-Y359 HydrophobicContact CD1-CE1 3.51Å; I312-L377 HydrophobicContact CD1-CD2 4.42Å; I312-L377 HydrophobicContact CG1-CD2 4.4Å; I312-L377 HydrophobicContact CG2-CB 3.68Å; I312-L377 HydrophobicContact CG2-CD2 3.68Å; I312-L377 HydrophobicContact CG2-CG 4.28Å; I312-L377 WeakPolarHBondContact CG2-O 3.49Å
313	L	98.8	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.9	-49.2	-173.1	177	65.3	0	0	0	113.6	Y316 G317 N358 F381	L313-Y316 HydrophobicContact CD1-CE2 3.91Å; L313-Y316 WeakPolarHBondContact CD1-OH 3.35Å; L313-G317 WeakPolarHBondContact O-CA 3.23Å; L313-G317 PolarHBondContact O-N 2.98Å; L313-N358 PolarHBondContact N-O 3.31Å; L313-F381 HydrophobicContact CD1-CB 4.27Å; L313-F381 HydrophobicContact CD1-CD1 3.75Å; L313-F381 HydrophobicContact CD1-CD2 3.96Å; L313-F381 HydrophobicContact CD1-CE1 4.03Å; L313-F381 HydrophobicContact CD1-CE2 4.22Å; L313-F381 HydrophobicContact CD1-CG 3.7Å; L313-F381 HydrophobicContact CD1-CZ 4.25Å; L313-F381 HydrophobicContact CD2-CD1 3.79Å; L313-F381 HydrophobicContact CD2-CE1 4.32Å; L313-F381 HydrophobicContact CD2-CG 4.32Å; L313-F381 HydrophobicContact CG-CB 3.9Å; L313-F381 HydrophobicContact CG-CD1 3.78Å; L313-F381 HydrophobicContact CG-CE1 4.46Å; L313-F381 HydrophobicContact CG-CG 3.8Å
314	A	98.6	Very high	97.3	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-49.6	173	0	0	0	0	0	111.2	I312 Y316 G317 T318 L377 D379	I312-A314 PolarHBondContact O-N 3.39Å; A314-Y316 PolarHBondContact O-N 2.72Å; A314-G317 PolarHBondContact O-N 3.4Å; A314-G317 VanDerWaalsContact O-N 3.15Å; A314-T318 VanDerWaalsContact O-CB 3.25Å; A314-T318 WeakPolarHBondContact O-CB 3.05Å; A314-T318 PolarHBondContact O-N 2.61Å; A314-T318 PolarHBondContact O-OG1 2.8Å; A314-L377 PolarHBondContact N-O 2.94Å; A314-D379 WeakPolarHBondContact CB-OD1 3.43Å
315	E	98.8	Very high	97.5	Very high	23 Å²	23	18.5 Å²	18.5	11%	0.107	12%	0.116	C	C	.	.	H	α-helix	trans	-58.6	-40	-174.1	-66.5	175	-159.1	0	0	114.4	F245 A291 W303 I312	F245-E315 HydrophobicContact CB-CB 3.76Å; F245-E315 HydrophobicContact CB-CG 3.83Å; F245-E315 HydrophobicContact CD1-CG 4.04Å; F245-E315 HydrophobicContact CG-CB 4.16Å; F245-E315 HydrophobicContact CG-CG 3.97Å; A291-E315 WeakPolarHBondContact CB-OE2 3.18Å; W303-E315 VanDerWaalsContact NE1-CD 3.35Å; W303-E315 PolarHBondContact NE1-OE1 3.14Å; W303-E315 PolarHBondContact NE1-OE2 3.04Å; I312-E315 HydrophobicContact CB-CB 4.04Å; I312-E315 HydrophobicContact CB-CG 3.8Å; I312-E315 HydrophobicContact CG1-CG 4.48Å; I312-E315 WeakPolarHBondContact CG1-OE1 3.45Å; I312-E315 HydrophobicContact CG2-CG 4.09Å; I312-E315 PolarHBondContact O-N 2.96Å; I312-E315 VanDerWaalsContact O-N 3.1Å
316	Y	98.6	Very high	97.6	Very high	3 Å²	3	11.7 Å²	11.7	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-92.3	-19.6	175.7	66.1	-109.6	0	0	0	114.1	I288 I312 L313 A314 I342 L346 L360	I288-Y316 HydrophobicContact CD1-CD2 4.39Å; I288-Y316 HydrophobicContact CD1-CE2 4.47Å; I288-Y316 HydrophobicContact CG2-CD1 3.8Å; I288-Y316 HydrophobicContact CG2-CD2 4.49Å; I288-Y316 HydrophobicContact CG2-CE1 4.19Å; I288-Y316 HydrophobicContact CG2-CG 3.99Å; I312-Y316 VanDerWaalsContact C-CE1 3.45Å; I312-Y316 WeakPolarHBondContact O-CD1 3.3Å; I312-Y316 VanDerWaalsContact O-CE1 3.29Å; I312-Y316 WeakPolarHBondContact O-CE1 3.31Å; I312-Y316 PolarHBondContact O-N 3.5Å; I312-Y316 VanDerWaalsContact O-N 3.1Å; L313-Y316 HydrophobicContact CD1-CE2 3.91Å; L313-Y316 WeakPolarHBondContact CD1-OH 3.35Å; A314-Y316 PolarHBondContact O-N 2.72Å; Y316-I342 HydrophobicContact CD2-CG2 3.78Å; Y316-I342 HydrophobicContact CE2-CG2 4.32Å; Y316-I342 WeakPolarHBondContact O-CD1 3.06Å; Y316-L346 HydrophobicContact CE2-CD1 4.25Å; Y316-L346 HydrophobicContact CE2-CD2 4.1Å; Y316-L346 HydrophobicContact CE2-CG 4.5Å; Y316-L360 HydrophobicContact CE1-CB 4.02Å; Y316-L360 VanDerWaalsContact OH-CB 3.25Å; Y316-L360 WeakPolarHBondContact OH-CB 3.32Å
317	G	98.6	Very high	97.7	Very high	10 Å²	10	12.1 Å²	12.1	10%	0.103	9%	0.093	C	C	.	.	H	α-helix	trans	-71.1	-38.1	174	0	0	0	0	0	112.3	L313 A314 L319	L313-G317 WeakPolarHBondContact O-CA 3.23Å; L313-G317 PolarHBondContact O-N 2.98Å; A314-G317 PolarHBondContact O-N 3.4Å; A314-G317 VanDerWaalsContact O-N 3.15Å; G317-L319 VanDerWaalsContact C-N 3.3Å; G317-L319 PolarHBondContact O-N 2.77Å
318	T	98.8	Very high	98	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	45.3	-166.8	-44.7	0	0	0	0	112.3	F245 N248 I249 A314 S380 F381 Y384 T599	F245-T318 HydrophobicContact CE2-CG2 3.91Å; N248-T318 PolarHBondContact ND2-O 3.12Å; I249-T318 HydrophobicContact CG2-CG2 4.13Å; A314-T318 VanDerWaalsContact O-CB 3.25Å; A314-T318 WeakPolarHBondContact O-CB 3.05Å; A314-T318 PolarHBondContact O-N 2.61Å; A314-T318 PolarHBondContact O-OG1 2.8Å; T318-S380 WeakPolarHBondContact CG2-OG 3.37Å; T318-S380 WeakPolarHBondContact OG1-CB 3.32Å; T318-S380 PolarHBondContact OG1-O 3.22Å; T318-S380 PolarHBondContact OG1-OG 2.93Å; T318-F381 PolarHBondContact OG1-N 3.09Å; T318-Y384 VanDerWaalsContact CA-CD2 3.47Å; T318-Y384 HydrophobicContact CG2-CD1 3.79Å; T318-Y384 HydrophobicContact CG2-CD2 3.77Å; T318-Y384 HydrophobicContact CG2-CE1 3.54Å; T318-Y384 HydrophobicContact CG2-CE2 3.5Å; T318-Y384 VanDerWaalsContact CG2-CE2 3.5Å; T318-Y384 HydrophobicContact CG2-CG 3.89Å; T318-T599 HydrophobicContact CG2-CG2 3.55Å
319	L	98.9	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-6.4	173.5	-54.9	176.8	0	0	0	112.2	V244 N248 F282 P289 G317 F323 V339	V244-L319 HydrophobicContact CG1-CD1 4.42Å; V244-L319 HydrophobicContact CG1-CD2 4.43Å; N248-L319 HydrophobicContact CB-CD2 3.57Å; F282-L319 HydrophobicContact CE1-CD1 4.15Å; F282-L319 HydrophobicContact CZ-CD1 3.78Å; P289-L319 HydrophobicContact CG-CD1 3.89Å; G317-L319 VanDerWaalsContact C-N 3.3Å; G317-L319 PolarHBondContact O-N 2.77Å; L319-F323 HydrophobicContact CB-CD2 4.28Å; L319-F323 WeakPolarHBondContact O-CB 3.48Å; L319-F323 VanDerWaalsContact O-CD2 3.29Å; L319-F323 WeakPolarHBondContact O-CD2 3.3Å; L319-F323 PolarHBondContact O-N 2.81Å; L319-V339 HydrophobicContact CB-CG1 3.98Å
320	H	98.9	Very high	98.3	Very high	9 Å²	9	11.6 Å²	11.6	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-72	-43.6	-160.5	-163.3	104.6	0	0	0	113.7	M324 V339 Y384	H320-M324 WeakPolarHBondContact O-CB 3.16Å; H320-M324 WeakPolarHBondContact O-CG 3.3Å; H320-M324 PolarHBondContact O-N 2.87Å; H320-M324 VanDerWaalsContact O-N 3.14Å; H320-V339 HydrophobicContact CB-CB 4.43Å; H320-Y384 HydrophobicContact CB-CD2 4.07Å
321	L	98.9	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.4	-49.2	-175	-51.8	179.8	0	0	0	110.4	F323 M324 H325 Y384 K387 A388 M391 V596 N598 L604	L321-F323 PolarHBondContact O-N 3.48Å; L321-M324 PolarHBondContact O-N 2.93Å; L321-H325 PolarHBondContact O-CD2 3.3Å; L321-H325 VanDerWaalsContact O-CD2 3.29Å; L321-H325 PolarHBondContact O-N 3.35Å; L321-Y384 HydrophobicContact CB-CE2 4.05Å; L321-Y384 HydrophobicContact CD1-CD1 4.01Å; L321-Y384 HydrophobicContact CD1-CD2 4.27Å; L321-Y384 HydrophobicContact CD1-CE1 3.59Å; L321-Y384 HydrophobicContact CD1-CE2 3.91Å; L321-Y384 HydrophobicContact CD1-CG 4.34Å; L321-Y384 HydrophobicContact CG-CD1 4.32Å; L321-Y384 HydrophobicContact CG-CD2 3.76Å; L321-Y384 HydrophobicContact CG-CE1 4.16Å; L321-Y384 HydrophobicContact CG-CE2 3.6Å; L321-Y384 HydrophobicContact CG-CG 4.15Å; L321-K387 HydrophobicContact CD1-CB 3.99Å; L321-K387 HydrophobicContact CD1-CD 4.45Å; L321-K387 HydrophobicContact CD2-CB 4.17Å; L321-A388 HydrophobicContact CD2-CB 4.24Å; L321-M391 HydrophobicContact CB-SD 3.79Å; L321-M391 HydrophobicContact CD2-CB 4.22Å; L321-M391 HydrophobicContact CD2-CE 3.87Å; L321-M391 HydrophobicContact CD2-SD 3.57Å; L321-M391 VanDerWaalsContact CD2-SD 3.57Å; L321-M391 HydrophobicContact CG-SD 4.23Å; L321-V596 HydrophobicContact CD1-CG1 4.37Å; L321-N598 HydrophobicContact CD1-CB 4.25Å; L321-L604 HydrophobicContact CB-CD1 3.77Å
322	E	98.9	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-45	-178	-56.1	75.9	-166.4	0	0	110.8	N248 V252 L256 M324 H325 L326 Y384 N598	N248-E322 PolarHBondContact ND2-OE2 3.41Å; N248-E322 WeakPolarHBondContact OD1-CB 3.46Å; V252-E322 HydrophobicContact CB-CB 4.42Å; V252-E322 HydrophobicContact CG1-CB 3.96Å; L256-E322 HydrophobicContact CD1-CB 4.02Å; L256-E322 HydrophobicContact CD1-CG 4.4Å; E322-M324 VanDerWaalsContact C-N 3.35Å; E322-M324 PolarHBondContact O-N 3.45Å; E322-H325 CarbonylContact O-C 3.58Å; E322-H325 PolarHBondContact O-N 3.21Å; E322-L326 WeakPolarHBondContact O-CB 3.33Å; E322-L326 VanDerWaalsContact O-CG 3.3Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 3.19Å; E322-Y384 PolarHBondContact OE1-OH 2.79Å; E322-Y384 WeakPolarHBondContact OE2-CE2 3.34Å; E322-N598 WeakPolarHBondContact OE1-CB 3.49Å; E322-N598 PolarHBondContact OE1-ND2 3.36Å
323	F	98.9	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-32.6	179.8	-85	-122.1	0	0	0	112.9	N248 L278 L279 F282 L319 L321 L326 S327 F335 K338 V339	N248-F323 WeakPolarHBondContact OD1-CD2 3.47Å; N248-F323 VanDerWaalsContact OD1-CE2 3.28Å; N248-F323 WeakPolarHBondContact OD1-CE2 3.27Å; L278-F323 HydrophobicContact CB-CZ 4.24Å; L279-F323 HydrophobicContact CD2-CE1 4.41Å; F282-F323 HydrophobicContact CD2-CE1 4.47Å; F282-F323 HydrophobicContact CE2-CD1 4.44Å; F282-F323 AromaticContact CE2-CE1 3.42Å; F282-F323 HydrophobicContact CE2-CE1 3.42Å; F282-F323 VanDerWaalsContact CE2-CE1 3.42Å; F282-F323 AromaticContact CE2-CZ 3.64Å; F282-F323 HydrophobicContact CE2-CZ 3.64Å; F282-F323 HydrophobicContact CZ-CD1 4.26Å; F282-F323 AromaticContact CZ-CE1 3.59Å; F282-F323 HydrophobicContact CZ-CE1 3.59Å; F282-F323 AromaticContact CZ-CZ 3.84Å; F282-F323 HydrophobicContact CZ-CZ 3.84Å; L319-F323 HydrophobicContact CB-CD2 4.28Å; L319-F323 WeakPolarHBondContact O-CB 3.48Å; L319-F323 VanDerWaalsContact O-CD2 3.29Å; L319-F323 WeakPolarHBondContact O-CD2 3.3Å; L319-F323 PolarHBondContact O-N 2.81Å; L321-F323 PolarHBondContact O-N 3.48Å; F323-L326 HydrophobicContact CD2-CD1 4.25Å; F323-L326 HydrophobicContact CE2-CD1 4.42Å; F323-S327 PolarHBondContact O-N 3.14Å; F323-F335 HydrophobicContact CB-CB 4.05Å; F323-F335 HydrophobicContact CD1-CB 3.77Å; F323-F335 HydrophobicContact CD1-CD1 4.04Å; F323-F335 HydrophobicContact CD1-CG 4.42Å; F323-F335 HydrophobicContact CE1-CD1 4.03Å; F323-F335 HydrophobicContact CG-CB 4.2Å; F323-F335 WeakPolarHBondContact O-CB 3.24Å; F323-K338 HydrophobicContact CD1-CB 4.38Å; F323-V339 HydrophobicContact CB-CB 4.47Å; F323-V339 HydrophobicContact CB-CG1 3.64Å; F323-V339 HydrophobicContact CB-CG2 3.96Å; F323-V339 HydrophobicContact CD1-CG1 4.07Å; F323-V339 HydrophobicContact CG-CG1 3.85Å
324	M	98.7	Very high	98	Very high	54 Å²	54	23.1 Å²	23.1	27%	0.266	14%	0.136	S	C	.	.	H	α-helix	trans	-67.9	-41.5	172.3	-70.5	-66.6	-74.6	0	0	111.5	H320 L321 E322 S327 K328 A336 V339 M391 I607	H320-M324 WeakPolarHBondContact O-CB 3.16Å; H320-M324 WeakPolarHBondContact O-CG 3.3Å; H320-M324 PolarHBondContact O-N 2.87Å; H320-M324 VanDerWaalsContact O-N 3.14Å; L321-M324 PolarHBondContact O-N 2.93Å; E322-M324 VanDerWaalsContact C-N 3.35Å; E322-M324 PolarHBondContact O-N 3.45Å; M324-S327 PolarHBondContact O-N 2.98Å; M324-K328 PolarHBondContact O-N 3.22Å; M324-A336 HydrophobicContact SD-CB 3.49Å; M324-A336 WeakPolarHBondContact SD-CB 3.48Å; M324-V339 HydrophobicContact CG-CG2 4.35Å; M324-V339 HydrophobicContact SD-CG2 4.46Å; M324-M391 HydrophobicContact CB-CE 3.7Å; M324-M391 HydrophobicContact CG-CE 4.07Å; M324-I607 HydrophobicContact CB-CD1 4.4Å
325	H	98.6	Very high	98	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-37.4	173.6	-84	-79.8	0	0	0	113.2	L256 Y260 L321 E322 K328 L329 M391 P605	L256-H325 HydrophobicContact CD1-CB 3.78Å; L256-H325 HydrophobicContact CD2-CB 4.19Å; Y260-H325 AromaticContact CE2-CE1 3.99Å; Y260-H325 AromaticContact CE2-ND1 3.42Å; Y260-H325 WeakPolarHBondContact CE2-ND1 3.43Å; Y260-H325 AromaticContact CZ-ND1 3.41Å; Y260-H325 PolarHBondContact OH-ND1 3.49Å; L321-H325 PolarHBondContact O-CD2 3.3Å; L321-H325 VanDerWaalsContact O-CD2 3.29Å; L321-H325 PolarHBondContact O-N 3.35Å; E322-H325 CarbonylContact O-C 3.58Å; E322-H325 PolarHBondContact O-N 3.21Å; H325-K328 PolarHBondContact O-N 3.19Å; H325-L329 WeakPolarHBondContact O-CB 3.37Å; H325-L329 WeakPolarHBondContact O-CG 3.49Å; H325-L329 PolarHBondContact O-N 3.34Å; H325-M391 PolarHBondContact CD2-SD 2.95Å; H325-M391 PolarHBondContact NE2-SD 2.93Å; H325-P605 PolarHBondContact CE1-O 3.31Å; H325-P605 PolarHBondContact NE2-O 3.08Å
326	L	98.7	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-45.3	171.6	-75.4	175.5	0	0	0	111.2	V252 A271 V272 E322 F323 L329 S330 F335	V252-L326 HydrophobicContact CG1-CD1 3.9Å; V252-L326 HydrophobicContact CG1-CD2 4.01Å; V252-L326 HydrophobicContact CG1-CG 3.99Å; A271-L326 HydrophobicContact CB-CD2 4.2Å; A271-L326 WeakPolarHBondContact O-CD2 3.31Å; V272-L326 HydrophobicContact CG2-CD2 4.26Å; E322-L326 WeakPolarHBondContact O-CB 3.33Å; E322-L326 VanDerWaalsContact O-CG 3.3Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 3.19Å; F323-L326 HydrophobicContact CD2-CD1 4.25Å; F323-L326 HydrophobicContact CE2-CD1 4.42Å; L326-L329 PolarHBondContact O-N 3.14Å; L326-S330 VanDerWaalsContact O-CB 3.27Å; L326-S330 WeakPolarHBondContact O-CB 3.37Å; L326-S330 PolarHBondContact O-N 2.84Å; L326-S330 PolarHBondContact O-OG 3.33Å; L326-F335 HydrophobicContact CB-CB 4.11Å; L326-F335 HydrophobicContact CB-CD1 4.28Å; L326-F335 HydrophobicContact CB-CD2 3.74Å; L326-F335 HydrophobicContact CB-CE2 4.2Å; L326-F335 HydrophobicContact CB-CG 3.79Å; L326-F335 HydrophobicContact CD1-CD1 4.04Å; L326-F335 HydrophobicContact CD1-CE1 4.28Å; L326-F335 HydrophobicContact CD1-CG 4.36Å
327	S	98.1	Very high	98	Very high	16 Å²	16	28.3 Å²	28.3	11%	0.112	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-43.2	173.2	-87.1	0	0	0	0	112.5	F323 M324 G331 N332 F335 A336	F323-S327 PolarHBondContact O-N 3.14Å; M324-S327 PolarHBondContact O-N 2.98Å; S327-G331 WeakPolarHBondContact O-CA 3.37Å; S327-G331 PolarHBondContact O-N 3.42Å; S327-N332 WeakPolarHBondContact CA-O 3.36Å; S327-N332 WeakPolarHBondContact CB-O 3.34Å; S327-N332 PolarHBondContact OG-O 2.74Å; S327-F335 WeakPolarHBondContact OG-CB 3.22Å; S327-A336 WeakPolarHBondContact OG-CB 3.37Å; S327-A336 PolarHBondContact OG-N 3.05Å
328	K	95.9	Very high	98	Very high	101 Å²	101	30.1 Å²	30.1	44%	0.439	17%	0.168	S	C	.	.	H	α-helix	trans	-62.3	-42.4	176.9	-176.6	169.1	-177	169.6	0	112.6	M324 H325 I607	M324-K328 PolarHBondContact O-N 3.22Å; H325-K328 PolarHBondContact O-N 3.19Å; K328-I607 HydrophobicContact CD-CD1 4.29Å; K328-I607 HydrophobicContact CD-CG1 4.15Å; K328-I607 HydrophobicContact CD-CG2 3.96Å
329	L	96.4	Very high	98	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-84.7	-26.4	-175.4	-68.9	-173.2	0	0	0	114.6	I140 L256 Y259 Y260 R268 H325 L326	I140-L329 HydrophobicContact CD1-CD2 4.11Å; L256-L329 HydrophobicContact CD2-CD1 3.61Å; Y259-L329 HydrophobicContact CD1-CD1 3.73Å; Y259-L329 HydrophobicContact CD1-CD2 4.42Å; Y259-L329 HydrophobicContact CE1-CD1 3.88Å; Y259-L329 HydrophobicContact CE1-CD2 3.74Å; Y260-L329 HydrophobicContact CE1-CD1 4.43Å; Y260-L329 HydrophobicContact CE1-CD2 4.12Å; Y260-L329 HydrophobicContact CE2-CD1 4.27Å; Y260-L329 WeakPolarHBondContact OH-CD1 3.5Å; Y260-L329 WeakPolarHBondContact OH-CD2 3.44Å; Y260-L329 VanDerWaalsContact OH-CG 3.3Å; Y260-L329 WeakPolarHBondContact OH-CG 3.38Å; R268-L329 HydrophobicContact CG-CB 4.36Å; R268-L329 HydrophobicContact CG-CD1 4.17Å; R268-L329 PolarHBondContact NE-O 3.28Å; R268-L329 PolarHBondContact NH2-O 3.44Å; H325-L329 WeakPolarHBondContact O-CB 3.37Å; H325-L329 WeakPolarHBondContact O-CG 3.49Å; H325-L329 PolarHBondContact O-N 3.34Å; L326-L329 PolarHBondContact O-N 3.14Å
330	S	96.8	Very high	98	Very high	15 Å²	15	33 Å²	33	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-92.8	-21.4	177.1	63.6	0	0	0	0	113.5	P138 L326 N332 F335	P138-S330 WeakPolarHBondContact CD-O 3.47Å; L326-S330 VanDerWaalsContact O-CB 3.27Å; L326-S330 WeakPolarHBondContact O-CB 3.37Å; L326-S330 PolarHBondContact O-N 2.84Å; L326-S330 PolarHBondContact O-OG 3.33Å; S330-N332 PolarHBondContact O-N 2.9Å; S330-N332 WeakPolarHBondContact OG-CB 3.31Å; S330-N332 PolarHBondContact OG-N 3.12Å; S330-F335 WeakPolarHBondContact OG-CE2 3.32Å
331	G	95.4	Very high	98	Very high	55 Å²	55	35.1 Å²	35.1	57%	0.567	20%	0.195	S	C	*	.			trans	71.7	-2.3	-166	0	0	0	0	0	114.1	S327 P333	S327-G331 WeakPolarHBondContact O-CA 3.37Å; S327-G331 PolarHBondContact O-N 3.42Å; G331-P333 WeakPolarHBondContact O-CD 3.24Å
332	N	96.7	Very high	98	Very high	49 Å²	49	35.4 Å²	35.4	26%	0.262	20%	0.196	S	C	.	.			trans	-83	113.5	176.3	-179	-0.4	0	0	0	109.9	S327 S330 E334 F335	S327-N332 WeakPolarHBondContact CA-O 3.36Å; S327-N332 WeakPolarHBondContact CB-O 3.34Å; S327-N332 PolarHBondContact OG-O 2.74Å; S330-N332 PolarHBondContact O-N 2.9Å; S330-N332 WeakPolarHBondContact OG-CB 3.31Å; S330-N332 PolarHBondContact OG-N 3.12Å; N332-E334 PolarHBondContact O-N 3.01Å; N332-E334 WeakPolarHBondContact OD1-CB 3.43Å; N332-E334 PolarHBondContact OD1-N 3.39Å; N332-F335 HydrophobicContact CB-CD2 4.29Å; N332-F335 HydrophobicContact CB-CE2 4Å
333	P	97.4	Very high	97.9	Very high	72 Å²	72	35.9 Å²	35.9	47%	0.468	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-7.4	-179.7	32.7	-37.5	0	0	0	113.7	G331 F335 A336 Q337	G331-P333 WeakPolarHBondContact O-CD 3.24Å; P333-F335 VanDerWaalsContact C-N 3.32Å; P333-F335 PolarHBondContact O-N 3.26Å; P333-A336 PolarHBondContact O-N 2.93Å; P333-Q337 WeakPolarHBondContact O-CB 3.47Å; P333-Q337 VanDerWaalsContact O-CG 3.23Å; P333-Q337 WeakPolarHBondContact O-CG 3.15Å; P333-Q337 PolarHBondContact O-N 3.34Å
334	E	98.2	Very high	97.8	Very high	69 Å²	69	41.3 Å²	41.3	32%	0.322	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-37.3	-176.1	-175.1	170.8	-165.6	0	0	112.7	L279 N332 Q337 K338	L279-E334 HydrophobicContact CD1-CG 4.5Å; L279-E334 HydrophobicContact CD2-CG 4.01Å; N332-E334 PolarHBondContact O-N 3.01Å; N332-E334 WeakPolarHBondContact OD1-CB 3.43Å; N332-E334 PolarHBondContact OD1-N 3.39Å; E334-Q337 WeakPolarHBondContact O-CB 3.4Å; E334-Q337 PolarHBondContact O-N 3.04Å; E334-K338 HydrophobicContact CG-CD 4.35Å; E334-K338 WeakPolarHBondContact O-CG 3.36Å; E334-K338 PolarHBondContact O-N 3.17Å; E334-K338 VanDerWaalsContact OE1-CE 3.23Å; E334-K338 WeakPolarHBondContact OE1-CE 3.39Å; E334-K338 IonicContact OE1-NZ 2.73Å; E334-K338 PolarHBondContact OE1-NZ 3.49Å
335	F	98.6	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-56.2	179.1	-54.7	-70.2	0	0	0	111.5	G275 E276 L279 F323 L326 S327 S330 N332 P333 Q337 K338 V339	G275-F335 VanDerWaalsContact C-CE1 3.42Å; E276-F335 HydrophobicContact CG-CZ 3.97Å; L279-F335 HydrophobicContact CD1-CD1 4.46Å; L279-F335 HydrophobicContact CD1-CE1 3.8Å; L279-F335 HydrophobicContact CD1-CZ 4.26Å; L279-F335 HydrophobicContact CD2-CD1 3.65Å; L279-F335 HydrophobicContact CD2-CE1 3.77Å; L279-F335 HydrophobicContact CG-CD1 4.13Å; L279-F335 HydrophobicContact CG-CE1 3.72Å; F323-F335 HydrophobicContact CB-CB 4.05Å; F323-F335 HydrophobicContact CD1-CB 3.77Å; F323-F335 HydrophobicContact CD1-CD1 4.04Å; F323-F335 HydrophobicContact CD1-CG 4.42Å; F323-F335 HydrophobicContact CE1-CD1 4.03Å; F323-F335 HydrophobicContact CG-CB 4.2Å; F323-F335 WeakPolarHBondContact O-CB 3.24Å; L326-F335 HydrophobicContact CB-CB 4.11Å; L326-F335 HydrophobicContact CB-CD1 4.28Å; L326-F335 HydrophobicContact CB-CD2 3.74Å; L326-F335 HydrophobicContact CB-CE2 4.2Å; L326-F335 HydrophobicContact CB-CG 3.79Å; L326-F335 HydrophobicContact CD1-CD1 4.04Å; L326-F335 HydrophobicContact CD1-CE1 4.28Å; L326-F335 HydrophobicContact CD1-CG 4.36Å; S327-F335 WeakPolarHBondContact OG-CB 3.22Å; S330-F335 WeakPolarHBondContact OG-CE2 3.32Å; N332-F335 HydrophobicContact CB-CD2 4.29Å; N332-F335 HydrophobicContact CB-CE2 4Å; P333-F335 VanDerWaalsContact C-N 3.32Å; P333-F335 PolarHBondContact O-N 3.26Å; F335-Q337 VanDerWaalsContact C-N 3.26Å; F335-Q337 PolarHBondContact O-N 3.47Å; F335-K338 WeakPolarHBondContact O-CB 3.31Å; F335-K338 PolarHBondContact O-N 2.89Å; F335-V339 PolarHBondContact O-N 3.32Å
336	A	98.4	Very high	97.8	Very high	20 Å²	20	39.5 Å²	39.5	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-54.2	-41.9	173.2	0	0	0	0	0	112.1	M324 S327 P333 K338 V339 M340	M324-A336 HydrophobicContact SD-CB 3.49Å; M324-A336 WeakPolarHBondContact SD-CB 3.48Å; S327-A336 WeakPolarHBondContact OG-CB 3.37Å; S327-A336 PolarHBondContact OG-N 3.05Å; P333-A336 PolarHBondContact O-N 2.93Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.09Å; A336-V339 WeakPolarHBondContact O-CG2 3.33Å; A336-V339 PolarHBondContact O-N 3.03Å; A336-M340 WeakPolarHBondContact O-CB 3.39Å; A336-M340 VanDerWaalsContact O-CG 3.26Å; A336-M340 WeakPolarHBondContact O-CG 3.46Å; A336-M340 PolarHBondContact O-N 3.25Å
337	Q	98.6	Very high	97.7	Very high	119 Å²	119	42.3 Å²	42.3	56%	0.556	23%	0.228	S	C	*	.	H	α-helix	trans	-62	-34.1	177.5	-72.7	171.8	17.5	0	0	113.3	P333 E334 F335 N341	P333-Q337 WeakPolarHBondContact O-CB 3.47Å; P333-Q337 VanDerWaalsContact O-CG 3.23Å; P333-Q337 WeakPolarHBondContact O-CG 3.15Å; P333-Q337 PolarHBondContact O-N 3.34Å; E334-Q337 WeakPolarHBondContact O-CB 3.4Å; E334-Q337 PolarHBondContact O-N 3.04Å; F335-Q337 VanDerWaalsContact C-N 3.26Å; F335-Q337 PolarHBondContact O-N 3.47Å; Q337-N341 WeakPolarHBondContact O-CB 3.26Å; Q337-N341 PolarHBondContact O-N 3.49Å; Q337-N341 VanDerWaalsContact O-N 3.07Å
338	K	98.7	Very high	97.6	Very high	48 Å²	48	51.3 Å²	51.3	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-51.1	175.2	-60.9	-37.6	-175.3	-158.3	0	111.6	L279 F282 F323 E334 F335 A336 N341 I342	L279-K338 HydrophobicContact CD2-CG 4.04Å; F282-K338 HydrophobicContact CB-CD 4.01Å; F282-K338 HydrophobicContact CB-CG 4.29Å; F282-K338 HydrophobicContact CD1-CB 3.69Å; F282-K338 HydrophobicContact CD1-CD 4.48Å; F282-K338 HydrophobicContact CD1-CG 4.06Å; F282-K338 HydrophobicContact CD2-CB 4.26Å; F282-K338 HydrophobicContact CD2-CD 4.48Å; F282-K338 HydrophobicContact CD2-CG 3.88Å; F282-K338 HydrophobicContact CE1-CB 3.67Å; F282-K338 HydrophobicContact CE1-CG 4.34Å; F282-K338 HydrophobicContact CE2-CB 4.26Å; F282-K338 HydrophobicContact CE2-CG 4.19Å; F282-K338 HydrophobicContact CG-CB 3.98Å; F282-K338 HydrophobicContact CG-CD 4.08Å; F282-K338 HydrophobicContact CG-CG 3.8Å; F282-K338 HydrophobicContact CZ-CB 3.95Å; F282-K338 HydrophobicContact CZ-CG 4.39Å; F323-K338 HydrophobicContact CD1-CB 4.38Å; E334-K338 HydrophobicContact CG-CD 4.35Å; E334-K338 WeakPolarHBondContact O-CG 3.36Å; E334-K338 PolarHBondContact O-N 3.17Å; E334-K338 VanDerWaalsContact OE1-CE 3.23Å; E334-K338 WeakPolarHBondContact OE1-CE 3.39Å; E334-K338 IonicContact OE1-NZ 2.73Å; E334-K338 PolarHBondContact OE1-NZ 3.49Å; F335-K338 WeakPolarHBondContact O-CB 3.31Å; F335-K338 PolarHBondContact O-N 2.89Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.09Å; K338-N341 WeakPolarHBondContact O-CB 3.25Å; K338-N341 PolarHBondContact O-N 2.88Å; K338-N341 VanDerWaalsContact O-N 3.1Å; K338-I342 PolarHBondContact O-N 2.92Å
339	V	98.6	Very high	97.7	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-74.8	-29.1	-175.1	-63.5	0	0	0	0	113.1	L319 H320 F323 M324 F335 A336 N341 I342 R343	L319-V339 HydrophobicContact CB-CG1 3.98Å; H320-V339 HydrophobicContact CB-CB 4.43Å; F323-V339 HydrophobicContact CB-CB 4.47Å; F323-V339 HydrophobicContact CB-CG1 3.64Å; F323-V339 HydrophobicContact CB-CG2 3.96Å; F323-V339 HydrophobicContact CD1-CG1 4.07Å; F323-V339 HydrophobicContact CG-CG1 3.85Å; M324-V339 HydrophobicContact CG-CG2 4.35Å; M324-V339 HydrophobicContact SD-CG2 4.46Å; F335-V339 PolarHBondContact O-N 3.32Å; A336-V339 WeakPolarHBondContact O-CG2 3.33Å; A336-V339 PolarHBondContact O-N 3.03Å; V339-N341 VanDerWaalsContact C-N 3.31Å; V339-I342 HydrophobicContact CG1-CD1 4.38Å; V339-I342 PolarHBondContact O-N 2.87Å; V339-R343 PolarHBondContact O-N 3.11Å
340	M	98.3	Very high	97.7	Very high	58 Å²	58	54.9 Å²	54.9	29%	0.286	28%	0.284	S	S	.	.	H	α-helix	trans	-70.8	-24.7	167.4	-65.3	-57.5	-71.8	0	0	112.8	A336 K344	A336-M340 WeakPolarHBondContact O-CB 3.39Å; A336-M340 VanDerWaalsContact O-CG 3.26Å; A336-M340 WeakPolarHBondContact O-CG 3.46Å; A336-M340 PolarHBondContact O-N 3.25Å; M340-K344 VanDerWaalsContact O-CG 3.31Å; M340-K344 WeakPolarHBondContact O-CG 3.46Å; M340-K344 PolarHBondContact O-N 2.63Å
341	N	98.6	Very high	97.7	Very high	54 Å²	54	56.5 Å²	56.5	29%	0.289	29%	0.289	S	S	.	.	H	α-helix	trans	-71.2	-37.9	171.9	-176.2	74.7	0	0	0	112.2	T286 Q337 K338 V339 R343 K344 V345	T286-N341 PolarHBondContact O-ND2 2.66Å; Q337-N341 WeakPolarHBondContact O-CB 3.26Å; Q337-N341 PolarHBondContact O-N 3.49Å; Q337-N341 VanDerWaalsContact O-N 3.07Å; K338-N341 WeakPolarHBondContact O-CB 3.25Å; K338-N341 PolarHBondContact O-N 2.88Å; K338-N341 VanDerWaalsContact O-N 3.1Å; V339-N341 VanDerWaalsContact C-N 3.31Å; N341-R343 VanDerWaalsContact C-N 3.34Å; N341-R343 PolarHBondContact O-N 2.88Å; N341-K344 WeakPolarHBondContact O-CB 3.25Å; N341-K344 PolarHBondContact O-N 2.9Å; N341-K344 VanDerWaalsContact O-N 3.17Å; N341-V345 PolarHBondContact O-N 2.67Å
342	I	98.7	Very high	97.7	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-56.1	-48.5	173.5	-70	155.9	0	0	0	110.7	F282 I288 P289 Y316 K338 V339 K344 V345 L346	F282-I342 HydrophobicContact CE1-CD1 3.83Å; I288-I342 HydrophobicContact CD1-CB 4.29Å; I288-I342 HydrophobicContact CD1-CG1 4.03Å; I288-I342 HydrophobicContact CD1-CG2 4.14Å; P289-I342 HydrophobicContact CG-CD1 4.38Å; Y316-I342 HydrophobicContact CD2-CG2 3.78Å; Y316-I342 HydrophobicContact CE2-CG2 4.32Å; Y316-I342 WeakPolarHBondContact O-CD1 3.06Å; K338-I342 PolarHBondContact O-N 2.92Å; V339-I342 HydrophobicContact CG1-CD1 4.38Å; V339-I342 PolarHBondContact O-N 2.87Å; I342-K344 PolarHBondContact O-N 2.77Å; I342-V345 PolarHBondContact O-N 3.33Å; I342-L346 HydrophobicContact CG2-CD1 3.87Å; I342-L346 HydrophobicContact CG2-CG 4.48Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.15Å
343	R	96.7	Very high	97.6	Very high	9 Å²	9	59.6 Å²	59.6	3%	0.034	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-45.3	175.1	-64.3	-72	-170.5	79.7	-3.3	111.9	V339 N341 V345 L346 N347 Y384 A388 D396 E398 G399	V339-R343 PolarHBondContact O-N 3.11Å; N341-R343 VanDerWaalsContact C-N 3.34Å; N341-R343 PolarHBondContact O-N 2.88Å; R343-V345 PolarHBondContact O-N 3.37Å; R343-L346 PolarHBondContact O-N 3.12Å; R343-N347 WeakPolarHBondContact O-CB 3.43Å; R343-N347 PolarHBondContact O-N 2.99Å; R343-Y384 PolarHBondContact NH2-O 3.01Å; R343-A388 VanDerWaalsContact NH2-CB 3.33Å; R343-D396 IonicContact CZ-OD2 3.39Å; R343-D396 IonicContact NH1-OD1 3.61Å; R343-D396 IonicContact NH1-OD2 3.42Å; R343-D396 PolarHBondContact NH1-OD2 3.4Å; R343-D396 IonicContact NH2-OD2 2.86Å; R343-E398 WeakPolarHBondContact CB-OE1 3.38Å; R343-G399 VanDerWaalsContact NH1-CA 3.28Å
344	K	97.6	Very high	97.5	Very high	115 Å²	115	57.7 Å²	57.7	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-33.6	176.8	-71.3	168.8	-174.1	175.6	0	114.2	M340 N341 I342 R348	M340-K344 VanDerWaalsContact O-CG 3.31Å; M340-K344 WeakPolarHBondContact O-CG 3.46Å; M340-K344 PolarHBondContact O-N 2.63Å; N341-K344 WeakPolarHBondContact O-CB 3.25Å; N341-K344 PolarHBondContact O-N 2.9Å; N341-K344 VanDerWaalsContact O-N 3.17Å; I342-K344 PolarHBondContact O-N 2.77Å; K344-R348 VanDerWaalsContact O-CD 3.31Å; K344-R348 WeakPolarHBondContact O-CD 3.47Å; K344-R348 VanDerWaalsContact O-CG 3.29Å; K344-R348 WeakPolarHBondContact O-CG 3.26Å
345	V	98.3	Very high	97.5	Very high	16 Å²	16	54.5 Å²	54.5	10%	0.097	27%	0.268	C	S	.	.	H	α-helix	trans	-70.4	-50.4	173	173.3	0	0	0	0	109.8	I288 N341 I342 R343 N347 R348 L360	I288-V345 HydrophobicContact CD1-CB 4Å; I288-V345 HydrophobicContact CD1-CG1 3.97Å; I288-V345 HydrophobicContact CD1-CG2 4.38Å; I288-V345 HydrophobicContact CG1-CB 4.36Å; I288-V345 HydrophobicContact CG1-CG1 3.98Å; I288-V345 HydrophobicContact CG1-CG2 4.43Å; N341-V345 PolarHBondContact O-N 2.67Å; I342-V345 PolarHBondContact O-N 3.33Å; R343-V345 PolarHBondContact O-N 3.37Å; V345-N347 VanDerWaalsContact C-N 3.28Å; V345-N347 PolarHBondContact O-N 3.21Å; V345-R348 PolarHBondContact O-N 3.01Å; V345-R348 VanDerWaalsContact O-N 3.09Å; V345-L360 HydrophobicContact CG1-CD1 4.42Å
346	L	98.3	Very high	97.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-33.4	-179.5	-69.1	170.5	0	0	0	113.3	Y316 I342 R343 R348 L349 K351 L360 W367 F381 M402	Y316-L346 HydrophobicContact CE2-CD1 4.25Å; Y316-L346 HydrophobicContact CE2-CD2 4.1Å; Y316-L346 HydrophobicContact CE2-CG 4.5Å; I342-L346 HydrophobicContact CG2-CD1 3.87Å; I342-L346 HydrophobicContact CG2-CG 4.48Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.15Å; R343-L346 PolarHBondContact O-N 3.12Å; L346-R348 VanDerWaalsContact C-N 3.31Å; L346-R348 PolarHBondContact O-N 3.44Å; L346-L349 PolarHBondContact O-N 3.24Å; L346-K351 WeakPolarHBondContact O-CE 3.32Å; L346-K351 PolarHBondContact O-NZ 3.25Å; L346-L360 HydrophobicContact CD2-CD1 3.82Å; L346-W367 HydrophobicContact CD2-CH2 3.64Å; L346-W367 HydrophobicContact CD2-CZ3 4.19Å; L346-F381 HydrophobicContact CD1-CD2 4.5Å; L346-F381 HydrophobicContact CD1-CE2 3.63Å; L346-F381 HydrophobicContact CD1-CZ 4.14Å; L346-M402 HydrophobicContact CB-CE 4.29Å
347	N	96.8	Very high	97.5	Very high	59 Å²	59	53.7 Å²	53.7	32%	0.316	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.8	178.7	-74.1	-16.7	0	0	0	114.8	R343 V345 K351 E398 M402	R343-N347 WeakPolarHBondContact O-CB 3.43Å; R343-N347 PolarHBondContact O-N 2.99Å; V345-N347 VanDerWaalsContact C-N 3.28Å; V345-N347 PolarHBondContact O-N 3.21Å; N347-K351 PolarHBondContact OD1-NZ 3.46Å; N347-E398 WeakPolarHBondContact ND2-CG 3.33Å; N347-E398 PolarHBondContact ND2-OE2 3.47Å; N347-M402 PolarHBondContact ND2-SD 3.05Å; N347-M402 WeakPolarHBondContact OD1-CE 3.2Å; N347-M402 PolarHBondContact OD1-SD 3.42Å
348	R	96.7	Very high	97.5	Very high	206 Å²	206	48 Å²	48	78%	0.777	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-6	169.5	-70.7	168.1	177.1	179.3	-2.9	113.6	K344 V345 L346	K344-R348 VanDerWaalsContact O-CD 3.31Å; K344-R348 WeakPolarHBondContact O-CD 3.47Å; K344-R348 VanDerWaalsContact O-CG 3.29Å; K344-R348 WeakPolarHBondContact O-CG 3.26Å; V345-R348 PolarHBondContact O-N 3.01Å; V345-R348 VanDerWaalsContact O-N 3.09Å; L346-R348 VanDerWaalsContact C-N 3.31Å; L346-R348 PolarHBondContact O-N 3.44Å
349	L	97.1	Very high	97.5	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.115	23%	0.227	C	C	.	.	S	Bend	trans	-101.3	133.7	-176.4	-66.5	174	0	0	0	111.9	L346 K351 L360 G365 W367	L346-L349 PolarHBondContact O-N 3.24Å; L349-K351 WeakPolarHBondContact O-CE 3.44Å; L349-K351 PolarHBondContact O-N 3.48Å; L349-L360 HydrophobicContact CD1-CD1 3.65Å; L349-L360 HydrophobicContact CD1-CG 4.33Å; L349-G365 WeakPolarHBondContact CD1-O 3.21Å; L349-G365 WeakPolarHBondContact CD2-O 3.49Å; L349-W367 HydrophobicContact CB-CZ2 3.93Å; L349-W367 HydrophobicContact CD1-CD2 4.23Å; L349-W367 HydrophobicContact CD1-CH2 4.27Å; L349-W367 HydrophobicContact CD1-CZ2 3.83Å
350	D	96.6	Very high	97.5	Very high	157 Å²	157	46.2 Å²	46.2	84%	0.84	23%	0.226	S	C	*	.			trans	-60.8	129.4	164.6	-72.8	-40.1	0	0	0	109.4	W367	D350-W367 PolarHBondContact O-NE1 2.95Å
351	K	97	Very high	97.5	Very high	49 Å²	49	45 Å²	45	21%	0.213	22%	0.22	C	C	.	.			trans	-103.1	110.5	-177	-70.6	138.3	-169.9	-167.5	0	108.5	L346 N347 L349 Q353 G354 L355 Y356 W367	L346-K351 WeakPolarHBondContact O-CE 3.32Å; L346-K351 PolarHBondContact O-NZ 3.25Å; N347-K351 PolarHBondContact OD1-NZ 3.46Å; L349-K351 WeakPolarHBondContact O-CE 3.44Å; L349-K351 PolarHBondContact O-N 3.48Å; K351-Q353 PolarHBondContact O-N 3.01Å; K351-Q353 VanDerWaalsContact O-N 3.13Å; K351-G354 PolarHBondContact O-N 3.07Å; K351-L355 CarbonylContact C-O 3.37Å; K351-L355 WeakPolarHBondContact CB-O 3.43Å; K351-Y356 HydrophobicContact CD-CE1 3.89Å; K351-Y356 HydrophobicContact CD-CE2 4.18Å; K351-Y356 VanDerWaalsContact CE-CE1 3.46Å; K351-Y356 WeakPolarHBondContact CE-OH 3.46Å; K351-Y356 HydrophobicContact CG-CD1 4.36Å; K351-Y356 HydrophobicContact CG-CE1 4.15Å; K351-Y356 HydrophobicContact CG-CE2 4.46Å; K351-Y356 PolarHBondContact NZ-OH 2.9Å; K351-W367 HydrophobicContact CG-CZ2 4.3Å
352	P	95.1	Very high	97.4	Very high	31 Å²	31	42.4 Å²	42.4	20%	0.201	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60	117.9	-174	22.5	-33.4	0	0	0	111.1	G354 L355 P357	P352-G354 PolarHBondContact O-N 3.35Å; P352-L355 WeakPolarHBondContact CD-O 2.92Å; P352-L355 VanDerWaalsContact O-CB 3.3Å; P352-L355 WeakPolarHBondContact O-CB 3.48Å; P352-L355 PolarHBondContact O-N 3.14Å; P352-P357 HydrophobicContact CG-CG 3.81Å
353	Q	94.9	Very high	97.3	Very high	139 Å²	139	46.1 Å²	46.1	65%	0.65	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	56.2	25.7	-172.1	-49.8	-58.3	-17.6	0	0	114.6	K351 L355 N413	K351-Q353 PolarHBondContact O-N 3.01Å; K351-Q353 VanDerWaalsContact O-N 3.13Å; Q353-L355 PolarHBondContact O-N 3.47Å; Q353-N413 PolarHBondContact O-ND2 3.5Å
354	G	96.8	Very high	97.3	Very high	31 Å²	31	49 Å²	49	32%	0.32	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	78.1	-2.5	-173.1	0	0	0	0	0	114.4	K351 P352	K351-G354 PolarHBondContact O-N 3.07Å; P352-G354 PolarHBondContact O-N 3.35Å
355	L	97.9	Very high	97.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.227	C	C	.	.			trans	-85.6	153.7	-178.6	-56	173.6	0	0	0	112	K351 P352 Q353 P357 V372 A409 N413 L414 W428	K351-L355 CarbonylContact C-O 3.37Å; K351-L355 WeakPolarHBondContact CB-O 3.43Å; P352-L355 WeakPolarHBondContact CD-O 2.92Å; P352-L355 VanDerWaalsContact O-CB 3.3Å; P352-L355 WeakPolarHBondContact O-CB 3.48Å; P352-L355 PolarHBondContact O-N 3.14Å; Q353-L355 PolarHBondContact O-N 3.47Å; L355-P357 WeakPolarHBondContact O-CD 3.44Å; L355-V372 HydrophobicContact CB-CG1 4.05Å; L355-V372 HydrophobicContact CB-CG2 3.83Å; L355-V372 HydrophobicContact CD1-CG1 4.39Å; L355-V372 HydrophobicContact CD1-CG2 4.27Å; L355-V372 HydrophobicContact CD2-CG1 4.41Å; L355-A409 HydrophobicContact CD2-CB 3.91Å; L355-N413 HydrophobicContact CD1-CB 3.93Å; L355-N413 HydrophobicContact CD2-CB 4.22Å; L355-N413 HydrophobicContact CG-CB 4.41Å; L355-L414 HydrophobicContact CD1-CD1 3.62Å; L355-L414 HydrophobicContact CD2-CD1 3.74Å; L355-L414 HydrophobicContact CG-CD1 4.35Å; L355-W428 HydrophobicContact CD1-CD2 4.01Å; L355-W428 HydrophobicContact CD1-CE3 4.24Å; L355-W428 HydrophobicContact CD1-CG 4.2Å
356	Y	98.4	Very high	97.2	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.012	25%	0.247	C	C	.	.			trans	-104.3	112.3	178.4	-68.3	-106.4	0	0	0	109.5	K351 W367 F381 Y382 M402 A406	K351-Y356 HydrophobicContact CD-CE1 3.89Å; K351-Y356 HydrophobicContact CD-CE2 4.18Å; K351-Y356 VanDerWaalsContact CE-CE1 3.46Å; K351-Y356 WeakPolarHBondContact CE-OH 3.46Å; K351-Y356 HydrophobicContact CG-CD1 4.36Å; K351-Y356 HydrophobicContact CG-CE1 4.15Å; K351-Y356 HydrophobicContact CG-CE2 4.46Å; K351-Y356 PolarHBondContact NZ-OH 2.9Å; Y356-W367 HydrophobicContact CD1-CH2 4.07Å; Y356-F381 AromaticContact CD1-CE1 3.63Å; Y356-F381 HydrophobicContact CD1-CE1 3.63Å; Y356-F381 AromaticContact CD1-CZ 3.62Å; Y356-F381 HydrophobicContact CD1-CZ 3.62Å; Y356-F381 HydrophobicContact CD2-CE1 4.07Å; Y356-F381 HydrophobicContact CE1-CE1 4.02Å; Y356-F381 AromaticContact CE1-CZ 3.65Å; Y356-F381 HydrophobicContact CE1-CZ 3.65Å; Y356-F381 HydrophobicContact CE2-CE1 4.42Å; Y356-F381 AromaticContact CG-CE1 3.66Å; Y356-F381 HydrophobicContact CG-CE1 3.66Å; Y356-F381 HydrophobicContact CG-CZ 4.15Å; Y356-Y382 HydrophobicContact CD2-CE1 4.15Å; Y356-M402 HydrophobicContact CE1-CE 4.28Å; Y356-A406 HydrophobicContact CD2-CB 4.32Å; Y356-A406 HydrophobicContact CE2-CB 3.89Å
357	P	98.3	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.			trans	-61.2	138.2	173.7	-25.5	35.5	0	0	0	112.5	P352 L355 Y359 W367	P352-P357 HydrophobicContact CG-CG 3.81Å; L355-P357 WeakPolarHBondContact O-CD 3.44Å; P357-Y359 PolarHBondContact O-N 3.15Å; P357-W367 HydrophobicContact CB-CB 4.39Å; P357-W367 HydrophobicContact CB-CD2 4.11Å; P357-W367 HydrophobicContact CB-CE3 3.83Å; P357-W367 HydrophobicContact CB-CG 4.36Å; P357-W367 HydrophobicContact CB-CZ3 4.44Å; P357-W367 HydrophobicContact CG-CB 4.21Å; P357-W367 HydrophobicContact CG-CD2 3.73Å; P357-W367 HydrophobicContact CG-CE3 3.93Å; P357-W367 HydrophobicContact CG-CG 3.85Å; P357-W367 WeakPolarHBondContact O-CZ3 3.3Å
358	N	98.4	Very high	97.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-68.5	1.4	-175.3	-68.2	18.4	0	0	0	114.2	I312 L313 H371 V372 S373 L377	I312-N358 WeakPolarHBondContact CA-O 3.32Å; L313-N358 PolarHBondContact N-O 3.31Å; N358-H371 WeakPolarHBondContact CB-O 3.42Å; N358-H371 PolarHBondContact N-O 3.46Å; N358-H371 PolarHBondContact OD1-O 3.17Å; N358-V372 WeakPolarHBondContact OD1-CA 3.28Å; N358-S373 WeakPolarHBondContact ND2-CB 3.22Å; N358-S373 PolarHBondContact ND2-N 2.83Å; N358-S373 PolarHBondContact OD1-N 3.19Å; N358-L377 HydrophobicContact CB-CB 4.01Å; N358-L377 WeakPolarHBondContact CB-O 2.94Å
359	Y	98.5	Very high	97	Very high	14 Å²	14	42.6 Å²	42.6	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	123.3	-173.3	-61.1	-92	0	0	0	110.5	W305 A306 I312 P357 G368 Q369 H371 L377	W305-Y359 HydrophobicContact CZ3-CE1 4.18Å; A306-Y359 HydrophobicContact CB-CE1 4.46Å; I312-Y359 HydrophobicContact CD1-CD1 3.67Å; I312-Y359 HydrophobicContact CD1-CE1 3.51Å; P357-Y359 PolarHBondContact O-N 3.15Å; Y359-G368 PolarHBondContact O-N 2.89Å; Y359-Q369 HydrophobicContact CD2-CG 3.61Å; Y359-Q369 HydrophobicContact CE2-CG 3.86Å; Y359-Q369 HydrophobicContact CG-CG 4.18Å; Y359-Q369 VanDerWaalsContact CZ-NE2 3.28Å; Y359-Q369 PolarHBondContact OH-NE2 3.23Å; Y359-H371 HydrophobicContact CE2-CB 4.33Å; Y359-L377 HydrophobicContact CE2-CD1 4.48Å; Y359-L377 VanDerWaalsContact OH-CD1 3.29Å; Y359-L377 WeakPolarHBondContact OH-CD1 3.39Å
360	L	98.5	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129	174	-170.6	166.8	0	0	0	110	I288 S310 S311 Y316 V345 L346 L349 P362 W367	I288-L360 HydrophobicContact CG1-CD2 3.93Å; I288-L360 HydrophobicContact CG2-CD2 4.42Å; S310-L360 WeakPolarHBondContact CA-O 3.11Å; S310-L360 WeakPolarHBondContact CB-O 3.41Å; S311-L360 PolarHBondContact N-O 2.63Å; S311-L360 PolarHBondContact O-N 3.1Å; Y316-L360 HydrophobicContact CE1-CB 4.02Å; Y316-L360 VanDerWaalsContact OH-CB 3.25Å; Y316-L360 WeakPolarHBondContact OH-CB 3.32Å; V345-L360 HydrophobicContact CG1-CD1 4.42Å; L346-L360 HydrophobicContact CD2-CD1 3.82Å; L349-L360 HydrophobicContact CD1-CD1 3.65Å; L349-L360 HydrophobicContact CD1-CG 4.33Å; L360-P362 WeakPolarHBondContact O-CD 3.4Å; L360-W367 HydrophobicContact CB-CE3 4.01Å; L360-W367 HydrophobicContact CB-CZ3 4.12Å; L360-W367 HydrophobicContact CD1-CE3 4.15Å; L360-W367 HydrophobicContact CD1-CH2 4.28Å; L360-W367 HydrophobicContact CD1-CZ3 3.83Å; L360-W367 HydrophobicContact CG-CE3 4.21Å; L360-W367 HydrophobicContact CG-CZ3 4.33Å
361	N	98.1	Very high	96.9	Very high	32 Å²	32	39.7 Å²	39.7	17%	0.171	21%	0.213	C	C	.	.			trans	-80	118	-177.2	-175.3	-70.9	0	0	0	111.7	G308 N363 S364 G365 Q366	G308-N361 PolarHBondContact O-ND2 2.94Å; N361-N363 PolarHBondContact O-N 2.94Å; N361-N363 VanDerWaalsContact O-N 3.12Å; N361-N363 WeakPolarHBondContact OD1-CB 3.36Å; N361-N363 PolarHBondContact OD1-N 2.88Å; N361-S364 PolarHBondContact O-N 2.97Å; N361-S364 PolarHBondContact OD1-N 3.33Å; N361-S364 VanDerWaalsContact OD1-N 3.15Å; N361-G365 WeakPolarHBondContact O-CA 3.26Å; N361-G365 PolarHBondContact O-N 2.67Å; N361-Q366 PolarHBondContact N-O 2.73Å
362	P	97.9	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.9	-172.6	31.7	-38.7	0	0	0	114.4	T284 T286 I288 W290 N302 L360	T284-P362 HydrophobicContact CG2-CB 4.05Å; T286-P362 WeakPolarHBondContact CB-O 3.39Å; T286-P362 WeakPolarHBondContact CG2-O 3.43Å; T286-P362 PolarHBondContact N-O 2.91Å; T286-P362 WeakPolarHBondContact OG1-CA 3.5Å; T286-P362 PolarHBondContact OG1-O 3.39Å; I288-P362 HydrophobicContact CB-CB 4.09Å; I288-P362 HydrophobicContact CG2-CB 4.21Å; I288-P362 WeakPolarHBondContact O-CB 3.48Å; W290-P362 HydrophobicContact CE3-CG 3.94Å; W290-P362 HydrophobicContact CH2-CG 4.08Å; W290-P362 HydrophobicContact CZ3-CG 3.52Å; N302-P362 WeakPolarHBondContact ND2-CG 3.16Å; L360-P362 WeakPolarHBondContact O-CD 3.4Å
363	N	96.6	Very high	97.1	Very high	84 Å²	84	36.3 Å²	36.3	45%	0.449	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-41.4	176	-56.6	-66.6	0	0	0	112.5	P285 N361	P285-N363 WeakPolarHBondContact CD-OD1 3.29Å; P285-N363 HydrophobicContact CG-CB 4.31Å; N361-N363 PolarHBondContact O-N 2.94Å; N361-N363 VanDerWaalsContact O-N 3.12Å; N361-N363 WeakPolarHBondContact OD1-CB 3.36Å; N361-N363 PolarHBondContact OD1-N 2.88Å
364	S	96.6	Very high	97.3	Very high	68 Å²	68	29.8 Å²	29.8	48%	0.476	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-16.9	179.6	65.6	0	0	0	0	114.1	N361 Q366	N361-S364 PolarHBondContact O-N 2.97Å; N361-S364 PolarHBondContact OD1-N 3.33Å; N361-S364 VanDerWaalsContact OD1-N 3.15Å; S364-Q366 PolarHBondContact O-N 3.31Å; S364-Q366 PolarHBondContact O-NE2 3.34Å; S364-Q366 PolarHBondContact OG-N 2.95Å
365	G	96.1	Very high	97.2	Very high	7 Å²	7	28.3 Å²	28.3	7%	0.072	15%	0.15	C	C	.	.			trans	69.4	10.6	-174.3	0	0	0	0	0	114.1	T286 L349 N361	T286-G365 VanDerWaalsContact CG2-CA 3.45Å; L349-G365 WeakPolarHBondContact CD1-O 3.21Å; L349-G365 WeakPolarHBondContact CD2-O 3.49Å; N361-G365 WeakPolarHBondContact O-CA 3.26Å; N361-G365 PolarHBondContact O-N 2.67Å
366	Q	96.5	Very high	97	Very high	109 Å²	109	29.8 Å²	29.8	51%	0.509	17%	0.166	S	C	.	.			trans	-97.6	157.2	-178.2	-57.8	-54.2	-61.9	0	0	111.7	N361 S364	N361-Q366 PolarHBondContact N-O 2.73Å; S364-Q366 PolarHBondContact O-N 3.31Å; S364-Q366 PolarHBondContact O-NE2 3.34Å; S364-Q366 PolarHBondContact OG-N 2.95Å
367	W	97.6	Very high	96.9	Very high	36 Å²	36	31.9 Å²	31.9	14%	0.136	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-60.4	144.7	170.6	-58.9	123.2	0	0	0	111.8	L346 L349 D350 K351 Y356 P357 L360	L346-W367 HydrophobicContact CD2-CH2 3.64Å; L346-W367 HydrophobicContact CD2-CZ3 4.19Å; L349-W367 HydrophobicContact CB-CZ2 3.93Å; L349-W367 HydrophobicContact CD1-CD2 4.23Å; L349-W367 HydrophobicContact CD1-CH2 4.27Å; L349-W367 HydrophobicContact CD1-CZ2 3.83Å; D350-W367 PolarHBondContact O-NE1 2.95Å; K351-W367 HydrophobicContact CG-CZ2 4.3Å; Y356-W367 HydrophobicContact CD1-CH2 4.07Å; P357-W367 HydrophobicContact CB-CB 4.39Å; P357-W367 HydrophobicContact CB-CD2 4.11Å; P357-W367 HydrophobicContact CB-CE3 3.83Å; P357-W367 HydrophobicContact CB-CG 4.36Å; P357-W367 HydrophobicContact CB-CZ3 4.44Å; P357-W367 HydrophobicContact CG-CB 4.21Å; P357-W367 HydrophobicContact CG-CD2 3.73Å; P357-W367 HydrophobicContact CG-CE3 3.93Å; P357-W367 HydrophobicContact CG-CG 3.85Å; P357-W367 WeakPolarHBondContact O-CZ3 3.3Å; L360-W367 HydrophobicContact CB-CE3 4.01Å; L360-W367 HydrophobicContact CB-CZ3 4.12Å; L360-W367 HydrophobicContact CD1-CE3 4.15Å; L360-W367 HydrophobicContact CD1-CH2 4.28Å; L360-W367 HydrophobicContact CD1-CZ3 3.83Å; L360-W367 HydrophobicContact CG-CE3 4.21Å; L360-W367 HydrophobicContact CG-CZ3 4.33Å
368	G	95.3	Very high	96.9	Very high	22 Å²	22	31.9 Å²	31.9	23%	0.227	18%	0.177	C	C	.	.			trans	-83.8	-139.8	166.2	0	0	0	0	0	111	Y359 H370	Y359-G368 PolarHBondContact O-N 2.89Å; G368-H370 PolarHBondContact O-CD2 2.96Å; G368-H370 PolarHBondContact O-N 3.44Å
369	Q	94.4	Very high	96.8	Very high	89 Å²	89	32.5 Å²	32.5	42%	0.416	18%	0.18	S	C	.	.	S	Bend	trans	-61	137.3	173.8	68.8	-167.4	9.6	0	0	112.2	S307 Y359 H371	S307-Q369 VanDerWaalsContact CB-CD 3.43Å; S307-Q369 WeakPolarHBondContact OG-CB 3.18Å; S307-Q369 VanDerWaalsContact OG-CD 3.3Å; S307-Q369 WeakPolarHBondContact OG-CG 3.46Å; S307-Q369 PolarHBondContact OG-OE1 2.7Å; S307-Q369 VanDerWaalsContact OG-OE1 3.14Å; Y359-Q369 HydrophobicContact CD2-CG 3.61Å; Y359-Q369 HydrophobicContact CE2-CG 3.86Å; Y359-Q369 HydrophobicContact CG-CG 4.18Å; Y359-Q369 VanDerWaalsContact CZ-NE2 3.28Å; Y359-Q369 PolarHBondContact OH-NE2 3.23Å; Q369-H371 HydrophobicContact CG-CB 4.3Å; Q369-H371 PolarHBondContact O-N 3.12Å
370	H	95.5	Very high	96.8	Very high	90 Å²	90	32 Å²	32	42%	0.417	18%	0.179	S	C	.	.			trans	-77	62.3	178.6	-65.7	178.5	0	0	0	111.8	G368 W428 G430	G368-H370 PolarHBondContact O-CD2 2.96Å; G368-H370 PolarHBondContact O-N 3.44Å; H370-W428 HydrophobicContact CB-CH2 4.41Å; H370-W428 HydrophobicContact CB-CZ3 3.99Å; H370-W428 VanDerWaalsContact O-CZ3 3.32Å; H370-W428 WeakPolarHBondContact O-CZ3 3.49Å; H370-G430 PolarHBondContact O-N 3.41Å
371	H	97.2	Very high	96.8	Very high	28 Å²	28	32.2 Å²	32.2	13%	0.13	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.2	167.6	174.3	-158.7	0	0	0	108.1	N358 Y359 Q369 E427 W428 K429	N358-H371 WeakPolarHBondContact CB-O 3.42Å; N358-H371 PolarHBondContact N-O 3.46Å; N358-H371 PolarHBondContact OD1-O 3.17Å; Y359-H371 HydrophobicContact CE2-CB 4.33Å; Q369-H371 HydrophobicContact CG-CB 4.3Å; Q369-H371 PolarHBondContact O-N 3.12Å; H371-E427 IonicContact CD2-OE2 2.82Å; H371-E427 IonicContact CE1-OE2 3.87Å; H371-E427 PolarHBondContact CE1-OE2 3.28Å; H371-E427 IonicContact NE2-OE2 2.78Å; H371-E427 PolarHBondContact NE2-OE2 3.11Å; H371-W428 CarbonylContact C-O 3.59Å; H371-W428 WeakPolarHBondContact CA-O 3.48Å; H371-K429 HydrophobicContact CB-CG 4.31Å; H371-K429 WeakPolarHBondContact CD2-CE 3.39Å; H371-K429 WeakPolarHBondContact NE2-CE 3.05Å
372	V	98.3	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.8	-179.6	-179.6	0	0	0	0	108.1	L355 N358 L414 W428	L355-V372 HydrophobicContact CB-CG1 4.05Å; L355-V372 HydrophobicContact CB-CG2 3.83Å; L355-V372 HydrophobicContact CD1-CG1 4.39Å; L355-V372 HydrophobicContact CD1-CG2 4.27Å; L355-V372 HydrophobicContact CD2-CG1 4.41Å; N358-V372 WeakPolarHBondContact OD1-CA 3.28Å; V372-L414 HydrophobicContact CG1-CD2 4.1Å; V372-W428 HydrophobicContact CB-CB 4.35Å; V372-W428 HydrophobicContact CB-CE3 4.09Å; V372-W428 HydrophobicContact CG2-CE3 3.61Å; V372-W428 HydrophobicContact CG2-CZ3 3.97Å; V372-W428 PolarHBondContact N-O 3Å; V372-W428 PolarHBondContact O-N 3.43Å
373	S	97.8	Very high	96.9	Very high	8 Å²	8	31.1 Å²	31.1	6%	0.056	17%	0.173	C	C	.	.			trans	-145.3	148.3	172.3	-171	0	0	0	0	110.4	N358 G375	N358-S373 WeakPolarHBondContact ND2-CB 3.22Å; N358-S373 PolarHBondContact ND2-N 2.83Å; N358-S373 PolarHBondContact OD1-N 3.19Å; S373-G375 PolarHBondContact OG-N 3.04Å
374	V	98.1	Very high	97	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	15%	0.152	C	C	.	.	S	Bend	trans	-102.8	12.4	165.8	-161.2	0	0	0	0	110.1	Y382 I410 L414 I425 T441 F443 A444	V374-Y382 HydrophobicContact CG1-CD2 4.03Å; V374-Y382 HydrophobicContact CG1-CE2 4.4Å; V374-Y382 HydrophobicContact CG2-CE2 4.21Å; V374-I410 HydrophobicContact CG1-CD1 4.43Å; V374-I410 HydrophobicContact CG2-CD1 3.72Å; V374-I410 HydrophobicContact CG2-CG1 3.83Å; V374-I410 HydrophobicContact CG2-CG2 3.91Å; V374-L414 HydrophobicContact CG2-CD2 3.91Å; V374-I425 HydrophobicContact CB-CD1 4.5Å; V374-I425 HydrophobicContact CB-CG2 4.06Å; V374-I425 HydrophobicContact CG1-CD1 4.44Å; V374-I425 HydrophobicContact CG2-CG2 3.85Å; V374-T441 HydrophobicContact CB-CG2 4.28Å; V374-T441 WeakPolarHBondContact O-CA 3.3Å; V374-T441 WeakPolarHBondContact O-CG2 3.28Å; V374-F443 HydrophobicContact CG1-CE1 4.04Å; V374-F443 HydrophobicContact CG1-CZ 4.33Å; V374-F443 WeakPolarHBondContact O-CE1 3.48Å; V374-A444 HydrophobicContact CG1-CB 4.4Å
375	G	96.1	Very high	97.1	Very high	1 Å²	1	24 Å²	24	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	-107.2	-152.2	153.3	0	0	0	0	0	109.8	S373 G378 D379 T441	S373-G375 PolarHBondContact OG-N 3.04Å; G375-G378 PolarHBondContact O-N 3.2Å; G375-D379 VanDerWaalsContact C-CG 3.41Å; G375-D379 VanDerWaalsContact O-CG 3.3Å; G375-D379 PolarHBondContact O-N 3.46Å; G375-T441 WeakPolarHBondContact CA-OG1 3.44Å; G375-T441 PolarHBondContact N-OG1 3.29Å
376	G	92.8	Very high	97.3	Very high	32 Å²	32	23.7 Å²	23.7	33%	0.33	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.7	138.6	-170.7	0	0	0	0	0	115.3	G378 D379	G376-G378 VanDerWaalsContact C-N 3.3Å; G376-D379 WeakPolarHBondContact CA-OD2 3.35Å; G376-D379 PolarHBondContact N-OD2 3.49Å
377	L	96.5	Very high	97.4	Very high	47 Å²	47	18.6 Å²	18.6	25%	0.246	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-2.9	-175.3	-45.5	174.6	0	0	0	115.2	W305 I312 A314 N358 Y359	W305-L377 HydrophobicContact CH2-CD2 3.92Å; I312-L377 HydrophobicContact CD1-CD2 4.42Å; I312-L377 HydrophobicContact CG1-CD2 4.4Å; I312-L377 HydrophobicContact CG2-CB 3.68Å; I312-L377 HydrophobicContact CG2-CD2 3.68Å; I312-L377 HydrophobicContact CG2-CG 4.28Å; I312-L377 WeakPolarHBondContact CG2-O 3.49Å; A314-L377 PolarHBondContact N-O 2.94Å; N358-L377 HydrophobicContact CB-CB 4.01Å; N358-L377 WeakPolarHBondContact CB-O 2.94Å; Y359-L377 HydrophobicContact CE2-CD1 4.48Å; Y359-L377 VanDerWaalsContact OH-CD1 3.29Å; Y359-L377 WeakPolarHBondContact OH-CD1 3.39Å
378	G	97.7	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.8	-35	-179	0	0	0	0	0	115.9	G375 G376 S380 F381 Y382	G375-G378 PolarHBondContact O-N 3.2Å; G376-G378 VanDerWaalsContact C-N 3.3Å; G378-S380 PolarHBondContact O-N 3.29Å; G378-F381 WeakPolarHBondContact O-CB 3.13Å; G378-F381 PolarHBondContact O-N 3.46Å; G378-Y382 WeakPolarHBondContact O-CD2 3.37Å; G378-Y382 VanDerWaalsContact O-CE2 3.24Å; G378-Y382 WeakPolarHBondContact O-CE2 3.43Å
379	D	97.8	Very high	97.6	Very high	14 Å²	14	16.3 Å²	16.3	8%	0.075	9%	0.088	C	C	.	.	H	α-helix	trans	-21.7	-79.6	168.7	39.1	26.3	0	0	0	116.9	A314 G375 G376 F381 Y382 F443	A314-D379 WeakPolarHBondContact CB-OD1 3.43Å; G375-D379 VanDerWaalsContact C-CG 3.41Å; G375-D379 VanDerWaalsContact O-CG 3.3Å; G375-D379 PolarHBondContact O-N 3.46Å; G376-D379 WeakPolarHBondContact CA-OD2 3.35Å; G376-D379 PolarHBondContact N-OD2 3.49Å; D379-F381 PolarHBondContact O-N 3.18Å; D379-F381 VanDerWaalsContact O-N 3.14Å; D379-Y382 WeakPolarHBondContact O-CD2 3.31Å; D379-Y382 PolarHBondContact O-N 3.42Å; D379-F443 HydrophobicContact CB-CD1 4.06Å; D379-F443 HydrophobicContact CB-CE1 3.55Å; D379-F443 HydrophobicContact CB-CZ 4.25Å; D379-F443 VanDerWaalsContact O-CZ 3.28Å; D379-F443 WeakPolarHBondContact O-CZ 3.24Å
380	S	98.3	Very high	97.8	Very high	4 Å²	4	13.3 Å²	13.3	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-74	-9.5	-164.9	57.7	0	0	0	0	114.4	T318 G378 E383 Y384 T599	T318-S380 WeakPolarHBondContact CG2-OG 3.37Å; T318-S380 WeakPolarHBondContact OG1-CB 3.32Å; T318-S380 PolarHBondContact OG1-O 3.22Å; T318-S380 PolarHBondContact OG1-OG 2.93Å; G378-S380 PolarHBondContact O-N 3.29Å; S380-E383 VanDerWaalsContact CB-OE2 3.25Å; S380-E383 WeakPolarHBondContact CB-OE2 3.46Å; S380-E383 WeakPolarHBondContact O-CB 3.44Å; S380-E383 PolarHBondContact O-N 3.23Å; S380-Y384 PolarHBondContact O-N 3.04Å; S380-T599 WeakPolarHBondContact CB-OG1 3.39Å
381	F	98.8	Very high	97.9	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.013	6%	0.055	C	C	.	.	H	α-helix	trans	-62.1	-46.8	166.6	159.3	-104.4	0	0	0	111	L313 T318 L346 Y356 G378 D379 E383 Y384 L385 M402	L313-F381 HydrophobicContact CD1-CB 4.27Å; L313-F381 HydrophobicContact CD1-CD1 3.75Å; L313-F381 HydrophobicContact CD1-CD2 3.96Å; L313-F381 HydrophobicContact CD1-CE1 4.03Å; L313-F381 HydrophobicContact CD1-CE2 4.22Å; L313-F381 HydrophobicContact CD1-CG 3.7Å; L313-F381 HydrophobicContact CD1-CZ 4.25Å; L313-F381 HydrophobicContact CD2-CD1 3.79Å; L313-F381 HydrophobicContact CD2-CE1 4.32Å; L313-F381 HydrophobicContact CD2-CG 4.32Å; L313-F381 HydrophobicContact CG-CB 3.9Å; L313-F381 HydrophobicContact CG-CD1 3.78Å; L313-F381 HydrophobicContact CG-CE1 4.46Å; L313-F381 HydrophobicContact CG-CG 3.8Å; T318-F381 PolarHBondContact OG1-N 3.09Å; L346-F381 HydrophobicContact CD1-CD2 4.5Å; L346-F381 HydrophobicContact CD1-CE2 3.63Å; L346-F381 HydrophobicContact CD1-CZ 4.14Å; Y356-F381 AromaticContact CD1-CE1 3.63Å; Y356-F381 HydrophobicContact CD1-CE1 3.63Å; Y356-F381 AromaticContact CD1-CZ 3.62Å; Y356-F381 HydrophobicContact CD1-CZ 3.62Å; Y356-F381 HydrophobicContact CD2-CE1 4.07Å; Y356-F381 HydrophobicContact CE1-CE1 4.02Å; Y356-F381 AromaticContact CE1-CZ 3.65Å; Y356-F381 HydrophobicContact CE1-CZ 3.65Å; Y356-F381 HydrophobicContact CE2-CE1 4.42Å; Y356-F381 AromaticContact CG-CE1 3.66Å; Y356-F381 HydrophobicContact CG-CE1 3.66Å; Y356-F381 HydrophobicContact CG-CZ 4.15Å; G378-F381 WeakPolarHBondContact O-CB 3.13Å; G378-F381 PolarHBondContact O-N 3.46Å; D379-F381 PolarHBondContact O-N 3.18Å; D379-F381 VanDerWaalsContact O-N 3.14Å; F381-E383 VanDerWaalsContact C-N 3.31Å; F381-E383 PolarHBondContact O-N 3.48Å; F381-Y384 PolarHBondContact O-N 3.31Å; F381-L385 HydrophobicContact CD2-CD2 4.48Å; F381-L385 HydrophobicContact CE1-CD1 3.93Å; F381-L385 HydrophobicContact CE2-CD1 4.36Å; F381-L385 HydrophobicContact CE2-CD2 3.77Å; F381-L385 HydrophobicContact CE2-CG 4.2Å; F381-L385 HydrophobicContact CZ-CD1 3.8Å; F381-L385 HydrophobicContact CZ-CD2 3.95Å; F381-L385 HydrophobicContact CZ-CG 4.15Å; F381-L385 WeakPolarHBondContact O-CG 3.26Å; F381-L385 PolarHBondContact O-N 3.48Å; F381-L385 VanDerWaalsContact O-N 3.16Å; F381-M402 HydrophobicContact CZ-CE 4.32Å
382	Y	98.8	Very high	97.9	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-65.5	-38.7	180	-54.6	-71.2	0	0	0	111.3	Y356 V374 G378 D379 Y384 L385 L386 A406 I410	Y356-Y382 HydrophobicContact CD2-CE1 4.15Å; V374-Y382 HydrophobicContact CG1-CD2 4.03Å; V374-Y382 HydrophobicContact CG1-CE2 4.4Å; V374-Y382 HydrophobicContact CG2-CE2 4.21Å; G378-Y382 WeakPolarHBondContact O-CD2 3.37Å; G378-Y382 VanDerWaalsContact O-CE2 3.24Å; G378-Y382 WeakPolarHBondContact O-CE2 3.43Å; D379-Y382 WeakPolarHBondContact O-CD2 3.31Å; D379-Y382 PolarHBondContact O-N 3.42Å; Y382-Y384 PolarHBondContact O-N 3.48Å; Y382-L385 WeakPolarHBondContact O-CB 3.38Å; Y382-L385 PolarHBondContact O-N 2.97Å; Y382-L386 PolarHBondContact O-N 2.94Å; Y382-A406 HydrophobicContact CD1-CB 3.91Å; Y382-A406 HydrophobicContact CE1-CB 4.1Å; Y382-I410 HydrophobicContact CD1-CD1 3.95Å; Y382-I410 HydrophobicContact CD2-CD1 4.44Å; Y382-I410 HydrophobicContact CE1-CD1 3.96Å; Y382-I410 HydrophobicContact CE2-CD1 4.46Å; Y382-I410 HydrophobicContact CG-CD1 4.2Å
383	E	98.8	Very high	97.8	Very high	5 Å²	5	12 Å²	12	2%	0.023	7%	0.073	C	C	.	.	H	α-helix	trans	-54.1	-49.3	172.2	-162	-151.7	130.6	0	0	111.4	S380 F381 L385 L386 K387 F443 M447 T599	S380-E383 VanDerWaalsContact CB-OE2 3.25Å; S380-E383 WeakPolarHBondContact CB-OE2 3.46Å; S380-E383 WeakPolarHBondContact O-CB 3.44Å; S380-E383 PolarHBondContact O-N 3.23Å; F381-E383 VanDerWaalsContact C-N 3.31Å; F381-E383 PolarHBondContact O-N 3.48Å; E383-L385 VanDerWaalsContact C-N 3.28Å; E383-L385 PolarHBondContact O-N 2.81Å; E383-L386 PolarHBondContact O-N 3.4Å; E383-K387 HydrophobicContact CG-CD 3.82Å; E383-K387 HydrophobicContact CG-CG 4.44Å; E383-K387 WeakPolarHBondContact O-CB 3.49Å; E383-K387 WeakPolarHBondContact O-CG 3.45Å; E383-K387 PolarHBondContact O-N 2.69Å; E383-K387 VanDerWaalsContact OE1-CD 3.25Å; E383-K387 WeakPolarHBondContact OE1-CD 3.34Å; E383-K387 VanDerWaalsContact OE1-CE 3.24Å; E383-K387 WeakPolarHBondContact OE1-CE 3.42Å; E383-K387 IonicContact OE1-NZ 3.06Å; E383-K387 PolarHBondContact OE1-NZ 2.68Å; E383-F443 HydrophobicContact CB-CD2 4.35Å; E383-F443 HydrophobicContact CB-CE2 3.62Å; E383-F443 HydrophobicContact CB-CZ 4.35Å; E383-F443 HydrophobicContact CG-CD2 4.11Å; E383-F443 HydrophobicContact CG-CE2 3.84Å; E383-M447 HydrophobicContact CB-SD 4.5Å; E383-T599 WeakPolarHBondContact OE1-CA 3.44Å; E383-T599 VanDerWaalsContact OE2-CB 3.31Å; E383-T599 WeakPolarHBondContact OE2-CB 3.41Å; E383-T599 PolarHBondContact OE2-OG1 3.35Å
384	Y	98.8	Very high	97.8	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-78.8	-4	-178.9	-84.7	36.6	0	0	0	114	T318 H320 L321 E322 R343 S380 F381 Y382 A388 N598 T599	T318-Y384 VanDerWaalsContact CA-CD2 3.47Å; T318-Y384 HydrophobicContact CG2-CD1 3.79Å; T318-Y384 HydrophobicContact CG2-CD2 3.77Å; T318-Y384 HydrophobicContact CG2-CE1 3.54Å; T318-Y384 HydrophobicContact CG2-CE2 3.5Å; T318-Y384 VanDerWaalsContact CG2-CE2 3.5Å; T318-Y384 HydrophobicContact CG2-CG 3.89Å; H320-Y384 HydrophobicContact CB-CD2 4.07Å; L321-Y384 HydrophobicContact CB-CE2 4.05Å; L321-Y384 HydrophobicContact CD1-CD1 4.01Å; L321-Y384 HydrophobicContact CD1-CD2 4.27Å; L321-Y384 HydrophobicContact CD1-CE1 3.59Å; L321-Y384 HydrophobicContact CD1-CE2 3.91Å; L321-Y384 HydrophobicContact CD1-CG 4.34Å; L321-Y384 HydrophobicContact CG-CD1 4.32Å; L321-Y384 HydrophobicContact CG-CD2 3.76Å; L321-Y384 HydrophobicContact CG-CE1 4.16Å; L321-Y384 HydrophobicContact CG-CE2 3.6Å; L321-Y384 HydrophobicContact CG-CG 4.15Å; E322-Y384 PolarHBondContact OE1-OH 2.79Å; E322-Y384 WeakPolarHBondContact OE2-CE2 3.34Å; R343-Y384 PolarHBondContact NH2-O 3.01Å; S380-Y384 PolarHBondContact O-N 3.04Å; F381-Y384 PolarHBondContact O-N 3.31Å; Y382-Y384 PolarHBondContact O-N 3.48Å; Y384-A388 WeakPolarHBondContact O-CB 3.4Å; Y384-A388 PolarHBondContact O-N 3.15Å; Y384-N598 VanDerWaalsContact OH-CB 3.27Å; Y384-N598 WeakPolarHBondContact OH-CB 3.35Å; Y384-T599 HydrophobicContact CE1-CG2 4.49Å; Y384-T599 PolarHBondContact OH-N 2.91Å
385	L	98.8	Very high	97.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-73.6	-49.3	162.6	-60	177.5	0	0	0	110.2	F381 Y382 E383 G399 M402 Y403 A406	F381-L385 HydrophobicContact CD2-CD2 4.48Å; F381-L385 HydrophobicContact CE1-CD1 3.93Å; F381-L385 HydrophobicContact CE2-CD1 4.36Å; F381-L385 HydrophobicContact CE2-CD2 3.77Å; F381-L385 HydrophobicContact CE2-CG 4.2Å; F381-L385 HydrophobicContact CZ-CD1 3.8Å; F381-L385 HydrophobicContact CZ-CD2 3.95Å; F381-L385 HydrophobicContact CZ-CG 4.15Å; F381-L385 WeakPolarHBondContact O-CG 3.26Å; F381-L385 PolarHBondContact O-N 3.48Å; F381-L385 VanDerWaalsContact O-N 3.16Å; Y382-L385 WeakPolarHBondContact O-CB 3.38Å; Y382-L385 PolarHBondContact O-N 2.97Å; E383-L385 VanDerWaalsContact C-N 3.28Å; E383-L385 PolarHBondContact O-N 2.81Å; L385-G399 CarbonylContact O-C 3.41Å; L385-M402 HydrophobicContact CD1-CB 3.97Å; L385-M402 HydrophobicContact CD2-CB 3.91Å; L385-M402 HydrophobicContact CD2-CE 3.89Å; L385-M402 HydrophobicContact CD2-SD 4.23Å; L385-M402 HydrophobicContact CG-CB 4.41Å; L385-Y403 HydrophobicContact CB-CD2 4.4Å; L385-A406 HydrophobicContact CD1-CB 4.41Å
386	L	98.8	Very high	97.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-67.6	-52.9	177.1	172.6	63.7	0	0	0	111.9	Y382 E383 A388 W389 L390 Y403 M447 L450	Y382-L386 PolarHBondContact O-N 2.94Å; E383-L386 PolarHBondContact O-N 3.4Å; L386-A388 VanDerWaalsContact C-N 3.27Å; L386-A388 PolarHBondContact O-N 3.3Å; L386-W389 HydrophobicContact CD1-CE3 4.08Å; L386-W389 HydrophobicContact CD1-CZ3 4.43Å; L386-W389 WeakPolarHBondContact O-CB 3.06Å; L386-W389 PolarHBondContact O-N 2.84Å; L386-W389 VanDerWaalsContact O-N 3.09Å; L386-L390 HydrophobicContact CD1-CD1 3.98Å; L386-L390 HydrophobicContact CD1-CG 4.19Å; L386-L390 HydrophobicContact CG-CD1 3.98Å; L386-L390 PolarHBondContact O-N 3.18Å; L386-Y403 HydrophobicContact CB-CD1 4.18Å; L386-Y403 HydrophobicContact CB-CD2 3.71Å; L386-Y403 HydrophobicContact CB-CE1 4.25Å; L386-Y403 HydrophobicContact CB-CE2 3.79Å; L386-Y403 HydrophobicContact CB-CG 3.91Å; L386-Y403 HydrophobicContact CD1-CD1 4.13Å; L386-Y403 HydrophobicContact CD1-CE1 3.97Å; L386-Y403 HydrophobicContact CD2-CE1 4.33Å; L386-Y403 HydrophobicContact CD2-CE2 4.27Å; L386-Y403 HydrophobicContact CG-CE1 4.41Å; L386-M447 HydrophobicContact CD2-CG 3.98Å; L386-M447 WeakPolarHBondContact CD2-O 3.41Å; L386-L450 HydrophobicContact CD2-CB 4.1Å; L386-L450 HydrophobicContact CD2-CD2 4.18Å; L386-L450 HydrophobicContact CD2-CG 4.04Å
387	K	98.8	Very high	97.9	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-30.2	-173.8	-72.4	-173.9	176.5	179.8	0	112.3	L321 E383 M391 L450 E516 V596 F597	L321-K387 HydrophobicContact CD1-CB 3.99Å; L321-K387 HydrophobicContact CD1-CD 4.45Å; L321-K387 HydrophobicContact CD2-CB 4.17Å; E383-K387 HydrophobicContact CG-CD 3.82Å; E383-K387 HydrophobicContact CG-CG 4.44Å; E383-K387 WeakPolarHBondContact O-CB 3.49Å; E383-K387 WeakPolarHBondContact O-CG 3.45Å; E383-K387 PolarHBondContact O-N 2.69Å; E383-K387 VanDerWaalsContact OE1-CD 3.25Å; E383-K387 WeakPolarHBondContact OE1-CD 3.34Å; E383-K387 VanDerWaalsContact OE1-CE 3.24Å; E383-K387 WeakPolarHBondContact OE1-CE 3.42Å; E383-K387 IonicContact OE1-NZ 3.06Å; E383-K387 PolarHBondContact OE1-NZ 2.68Å; K387-M391 WeakPolarHBondContact O-CB 3.47Å; K387-M391 PolarHBondContact O-N 2.98Å; K387-L450 HydrophobicContact CG-CD2 4.32Å; K387-E516 IonicContact NZ-OE1 3.36Å; K387-V596 HydrophobicContact CB-CG1 3.64Å; K387-V596 HydrophobicContact CD-CG1 4.04Å; K387-V596 HydrophobicContact CG-CG1 3.81Å; K387-F597 WeakPolarHBondContact CD-O 3.44Å; K387-F597 VanDerWaalsContact CE-O 3.24Å; K387-F597 WeakPolarHBondContact CE-O 3.33Å; K387-F597 PolarHBondContact NZ-O 3.4Å
388	A	98.6	Very high	97.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-65.4	-43.4	172	0	0	0	0	0	112.3	L321 R343 Y384 L386 M391 S392	L321-A388 HydrophobicContact CD2-CB 4.24Å; R343-A388 VanDerWaalsContact NH2-CB 3.33Å; Y384-A388 WeakPolarHBondContact O-CB 3.4Å; Y384-A388 PolarHBondContact O-N 3.15Å; L386-A388 VanDerWaalsContact C-N 3.27Å; L386-A388 PolarHBondContact O-N 3.3Å; A388-M391 PolarHBondContact O-N 3.4Å; A388-S392 VanDerWaalsContact O-CB 3.26Å; A388-S392 WeakPolarHBondContact O-CB 3.49Å; A388-S392 PolarHBondContact O-N 2.87Å; A388-S392 PolarHBondContact O-OG 3Å
389	W	98.5	Very high	97.9	Very high	8 Å²	8	24.6 Å²	24.6	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-48.8	174.4	173.9	63.7	0	0	0	111.5	L386 S392 K394 D396 E397 K400 G454	L386-W389 HydrophobicContact CD1-CE3 4.08Å; L386-W389 HydrophobicContact CD1-CZ3 4.43Å; L386-W389 WeakPolarHBondContact O-CB 3.06Å; L386-W389 PolarHBondContact O-N 2.84Å; L386-W389 VanDerWaalsContact O-N 3.09Å; W389-S392 PolarHBondContact O-N 2.93Å; W389-S392 PolarHBondContact O-OG 3.32Å; W389-K394 HydrophobicContact CD2-CB 4.49Å; W389-K394 HydrophobicContact CD2-CG 4.28Å; W389-K394 HydrophobicContact CH2-CD 3.73Å; W389-K394 HydrophobicContact CH2-CG 3.89Å; W389-K394 HydrophobicContact CZ2-CB 3.71Å; W389-K394 HydrophobicContact CZ2-CD 3.64Å; W389-K394 HydrophobicContact CZ2-CG 3.54Å; W389-K394 HydrophobicContact CZ3-CG 4.41Å; W389-K394 VanDerWaalsContact NE1-C 3.28Å; W389-K394 PolarHBondContact NE1-O 3.07Å; W389-K394 WeakPolarHBondContact O-CA 3.47Å; W389-K394 PolarHBondContact O-N 3.06Å; W389-D396 VanDerWaalsContact CD1-O 3.3Å; W389-E397 PolarHBondContact NE1-OE1 3.47Å; W389-K400 HydrophobicContact CB-CB 4.14Å; W389-K400 HydrophobicContact CD2-CB 4.03Å; W389-K400 HydrophobicContact CD2-CD 4.21Å; W389-K400 HydrophobicContact CD2-CG 3.83Å; W389-K400 HydrophobicContact CE3-CG 4.34Å; W389-K400 HydrophobicContact CG-CB 3.68Å; W389-K400 HydrophobicContact CG-CD 4.49Å; W389-K400 HydrophobicContact CG-CG 4.04Å; W389-K400 HydrophobicContact CZ2-CD 3.99Å; W389-K400 HydrophobicContact CZ2-CG 4.33Å; W389-G454 VanDerWaalsContact CH2-CA 3.45Å
390	L	98.4	Very high	97.9	Very high	26 Å²	26	26.2 Å²	26.2	14%	0.136	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-48.2	177.7	-64	174.5	0	0	0	112.4	L386 S392 D393 K394 L450 V596	L386-L390 HydrophobicContact CD1-CD1 3.98Å; L386-L390 HydrophobicContact CD1-CG 4.19Å; L386-L390 HydrophobicContact CG-CD1 3.98Å; L386-L390 PolarHBondContact O-N 3.18Å; L390-S392 PolarHBondContact O-N 3.25Å; L390-D393 PolarHBondContact O-N 3.23Å; L390-K394 HydrophobicContact CD2-CG 4.4Å; L390-L450 HydrophobicContact CD1-CD1 3.77Å; L390-L450 HydrophobicContact CD1-CD2 3.94Å; L390-L450 HydrophobicContact CD1-CG 3.6Å; L390-V596 HydrophobicContact CB-CG2 4Å
391	M	98.3	Very high	97.9	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-30.8	178.3	-179	-163.9	71	0	0	112.1	L321 M324 H325 K387 A388 D393 V596 I607	L321-M391 HydrophobicContact CB-SD 3.79Å; L321-M391 HydrophobicContact CD2-CB 4.22Å; L321-M391 HydrophobicContact CD2-CE 3.87Å; L321-M391 HydrophobicContact CD2-SD 3.57Å; L321-M391 VanDerWaalsContact CD2-SD 3.57Å; L321-M391 HydrophobicContact CG-SD 4.23Å; M324-M391 HydrophobicContact CB-CE 3.7Å; M324-M391 HydrophobicContact CG-CE 4.07Å; H325-M391 PolarHBondContact CD2-SD 2.95Å; H325-M391 PolarHBondContact NE2-SD 2.93Å; K387-M391 WeakPolarHBondContact O-CB 3.47Å; K387-M391 PolarHBondContact O-N 2.98Å; A388-M391 PolarHBondContact O-N 3.4Å; M391-D393 PolarHBondContact O-N 3.36Å; M391-D393 VanDerWaalsContact O-N 3.17Å; M391-V596 HydrophobicContact CB-CB 4.36Å; M391-V596 HydrophobicContact CB-CG2 4.14Å; M391-I607 HydrophobicContact CE-CD1 4.28Å; M391-I607 HydrophobicContact CG-CD1 4.44Å; M391-I607 HydrophobicContact CG-CG1 4.32Å; M391-I607 PolarHBondContact O-N 3.36Å; M391-I607 HydrophobicContact SD-CD1 4.39Å
392	S	97.6	Very high	97.8	Very high	17 Å²	17	31.9 Å²	31.9	12%	0.119	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	17.8	177.3	73.2	0	0	0	0	114.9	A388 W389 L390 K394 T395 D396	A388-S392 VanDerWaalsContact O-CB 3.26Å; A388-S392 WeakPolarHBondContact O-CB 3.49Å; A388-S392 PolarHBondContact O-N 2.87Å; A388-S392 PolarHBondContact O-OG 3Å; W389-S392 PolarHBondContact O-N 2.93Å; W389-S392 PolarHBondContact O-OG 3.32Å; L390-S392 PolarHBondContact O-N 3.25Å; S392-K394 VanDerWaalsContact C-N 3.26Å; S392-K394 PolarHBondContact O-N 2.8Å; S392-T395 WeakPolarHBondContact O-CB 3.35Å; S392-T395 WeakPolarHBondContact O-CG2 3.34Å; S392-T395 PolarHBondContact O-N 3.49Å; S392-T395 VanDerWaalsContact O-N 3.11Å; S392-T395 PolarHBondContact O-OG1 2.86Å; S392-T395 PolarHBondContact OG-N 3.14Å; S392-T395 VanDerWaalsContact OG-N 3.1Å; S392-D396 PolarHBondContact OG-N 3.26Å
393	D	96.9	Very high	97.8	Very high	71 Å²	71	31.8 Å²	31.8	38%	0.38	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	41.2	-173	-153	25.2	0	0	0	111.5	L390 M391 T395 V606 R608	L390-D393 PolarHBondContact O-N 3.23Å; M391-D393 PolarHBondContact O-N 3.36Å; M391-D393 VanDerWaalsContact O-N 3.17Å; D393-T395 VanDerWaalsContact C-N 3.29Å; D393-T395 PolarHBondContact O-N 2.8Å; D393-V606 HydrophobicContact CB-CG1 3.85Å; D393-R608 HydrophobicContact CB-CG 4.35Å; D393-R608 WeakPolarHBondContact OD2-CA 3.42Å; D393-R608 WeakPolarHBondContact OD2-CB 3.41Å; D393-R608 WeakPolarHBondContact OD2-CG 3.35Å
394	K	96.6	Very high	97.8	Very high	89 Å²	89	32.5 Å²	32.5	39%	0.387	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	26.5	-173.8	-65.8	-178.2	170	178.7	0	114.9	W389 L390 S392 D453	W389-K394 HydrophobicContact CD2-CB 4.49Å; W389-K394 HydrophobicContact CD2-CG 4.28Å; W389-K394 HydrophobicContact CH2-CD 3.73Å; W389-K394 HydrophobicContact CH2-CG 3.89Å; W389-K394 HydrophobicContact CZ2-CB 3.71Å; W389-K394 HydrophobicContact CZ2-CD 3.64Å; W389-K394 HydrophobicContact CZ2-CG 3.54Å; W389-K394 HydrophobicContact CZ3-CG 4.41Å; W389-K394 VanDerWaalsContact NE1-C 3.28Å; W389-K394 PolarHBondContact NE1-O 3.07Å; W389-K394 WeakPolarHBondContact O-CA 3.47Å; W389-K394 PolarHBondContact O-N 3.06Å; L390-K394 HydrophobicContact CD2-CG 4.4Å; S392-K394 VanDerWaalsContact C-N 3.26Å; S392-K394 PolarHBondContact O-N 2.8Å; K394-D453 IonicContact NZ-OD2 2.64Å; K394-D453 PolarHBondContact NZ-OD2 2.92Å
395	T	96.7	Very high	97.8	Very high	74 Å²	74	36 Å²	36	45%	0.454	18%	0.177	S	C	.	.			trans	-98.9	-17.8	-178	68	0	0	0	0	117.1	S392 D393 E397	S392-T395 WeakPolarHBondContact O-CB 3.35Å; S392-T395 WeakPolarHBondContact O-CG2 3.34Å; S392-T395 PolarHBondContact O-N 3.49Å; S392-T395 VanDerWaalsContact O-N 3.11Å; S392-T395 PolarHBondContact O-OG1 2.86Å; S392-T395 PolarHBondContact OG-N 3.14Å; S392-T395 VanDerWaalsContact OG-N 3.1Å; D393-T395 VanDerWaalsContact C-N 3.29Å; D393-T395 PolarHBondContact O-N 2.8Å; T395-E397 VanDerWaalsContact C-N 3.28Å; T395-E397 PolarHBondContact O-N 2.78Å
396	D	97	Very high	97.8	Very high	23 Å²	23	36.1 Å²	36.1	12%	0.123	18%	0.177	C	C	.	.			trans	-76.7	74.7	171.7	179.2	21.9	0	0	0	111.3	R343 W389 S392 E398 G399 K400	R343-D396 IonicContact CZ-OD2 3.39Å; R343-D396 IonicContact NH1-OD1 3.61Å; R343-D396 IonicContact NH1-OD2 3.42Å; R343-D396 PolarHBondContact NH1-OD2 3.4Å; R343-D396 IonicContact NH2-OD2 2.86Å; W389-D396 VanDerWaalsContact CD1-O 3.3Å; S392-D396 PolarHBondContact OG-N 3.26Å; D396-E398 PolarHBondContact O-N 3.22Å; D396-E398 WeakPolarHBondContact OD1-CB 3.44Å; D396-E398 PolarHBondContact OD1-N 3Å; D396-G399 VanDerWaalsContact CG-N 3.26Å; D396-G399 PolarHBondContact O-N 2.89Å; D396-G399 PolarHBondContact OD1-N 3.2Å; D396-G399 VanDerWaalsContact OD2-CA 3.27Å; D396-G399 WeakPolarHBondContact OD2-CA 3.48Å; D396-G399 PolarHBondContact OD2-N 3.38Å; D396-K400 PolarHBondContact O-N 2.79Å
397	E	96.4	Very high	97.7	Very high	98 Å²	98	36.4 Å²	36.4	46%	0.458	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-16	174.7	-67.3	-72.1	133.9	0	0	112.6	W389 T395 K400 K401	W389-E397 PolarHBondContact NE1-OE1 3.47Å; T395-E397 VanDerWaalsContact C-N 3.28Å; T395-E397 PolarHBondContact O-N 2.78Å; E397-K400 VanDerWaalsContact CD-CD 3.42Å; E397-K400 VanDerWaalsContact OE1-CD 3.27Å; E397-K400 WeakPolarHBondContact OE1-CD 3.43Å; E397-K400 IonicContact OE1-NZ 3.21Å; E397-K400 PolarHBondContact OE1-NZ 2.67Å; E397-K400 WeakPolarHBondContact OE2-CD 3.31Å; E397-K400 IonicContact OE2-NZ 3.9Å; E397-K400 PolarHBondContact OE2-NZ 2.68Å; E397-K401 VanDerWaalsContact O-CB 3.31Å; E397-K401 WeakPolarHBondContact O-CB 3.47Å; E397-K401 PolarHBondContact O-N 2.92Å
398	E	96.6	Very high	97.7	Very high	71 Å²	71	39.8 Å²	39.8	33%	0.332	20%	0.195	S	C	.	.	H	α-helix	trans	-70	-52	169.6	-176	-179.2	63.7	0	0	110.1	R343 N347 D396 K400 K401 M402	R343-E398 WeakPolarHBondContact CB-OE1 3.38Å; N347-E398 WeakPolarHBondContact ND2-CG 3.33Å; N347-E398 PolarHBondContact ND2-OE2 3.47Å; D396-E398 PolarHBondContact O-N 3.22Å; D396-E398 WeakPolarHBondContact OD1-CB 3.44Å; D396-E398 PolarHBondContact OD1-N 3Å; E398-K400 PolarHBondContact O-N 3Å; E398-K401 PolarHBondContact O-N 3.01Å; E398-M402 HydrophobicContact CG-CG 4.48Å; E398-M402 HydrophobicContact CG-SD 4.1Å; E398-M402 WeakPolarHBondContact O-CB 3.44Å; E398-M402 VanDerWaalsContact O-CG 3.29Å; E398-M402 WeakPolarHBondContact O-CG 3.35Å; E398-M402 PolarHBondContact O-N 3.44Å
399	G	96.8	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-45.1	175.6	0	0	0	0	0	112.6	R343 L385 D396 K401 M402 Y403	R343-G399 VanDerWaalsContact NH1-CA 3.28Å; L385-G399 CarbonylContact O-C 3.41Å; D396-G399 VanDerWaalsContact CG-N 3.26Å; D396-G399 PolarHBondContact O-N 2.89Å; D396-G399 PolarHBondContact OD1-N 3.2Å; D396-G399 VanDerWaalsContact OD2-CA 3.27Å; D396-G399 WeakPolarHBondContact OD2-CA 3.48Å; D396-G399 PolarHBondContact OD2-N 3.38Å; G399-K401 PolarHBondContact O-N 3.24Å; G399-M402 PolarHBondContact O-N 2.94Å; G399-Y403 WeakPolarHBondContact O-CB 3.4Å; G399-Y403 PolarHBondContact O-N 2.98Å
400	K	97.8	Very high	97.7	Very high	47 Å²	47	40 Å²	40	20%	0.204	20%	0.197	C	C	.	.	H	α-helix	trans	-56.1	-48.9	173.5	-169.4	-163.1	-168.7	176.4	0	112.4	W389 D396 E397 E398 Y403 Y404	W389-K400 HydrophobicContact CB-CB 4.14Å; W389-K400 HydrophobicContact CD2-CB 4.03Å; W389-K400 HydrophobicContact CD2-CD 4.21Å; W389-K400 HydrophobicContact CD2-CG 3.83Å; W389-K400 HydrophobicContact CE3-CG 4.34Å; W389-K400 HydrophobicContact CG-CB 3.68Å; W389-K400 HydrophobicContact CG-CD 4.49Å; W389-K400 HydrophobicContact CG-CG 4.04Å; W389-K400 HydrophobicContact CZ2-CD 3.99Å; W389-K400 HydrophobicContact CZ2-CG 4.33Å; D396-K400 PolarHBondContact O-N 2.79Å; E397-K400 VanDerWaalsContact CD-CD 3.42Å; E397-K400 VanDerWaalsContact OE1-CD 3.27Å; E397-K400 WeakPolarHBondContact OE1-CD 3.43Å; E397-K400 IonicContact OE1-NZ 3.21Å; E397-K400 PolarHBondContact OE1-NZ 2.67Å; E397-K400 WeakPolarHBondContact OE2-CD 3.31Å; E397-K400 IonicContact OE2-NZ 3.9Å; E397-K400 PolarHBondContact OE2-NZ 2.68Å; E398-K400 PolarHBondContact O-N 3Å; K400-Y403 WeakPolarHBondContact O-CB 3.44Å; K400-Y403 PolarHBondContact O-N 3.3Å; K400-Y404 HydrophobicContact CG-CD2 3.98Å; K400-Y404 HydrophobicContact CG-CE2 3.66Å; K400-Y404 WeakPolarHBondContact O-CD2 3.32Å; K400-Y404 PolarHBondContact O-N 3.32Å; K400-Y404 VanDerWaalsContact O-N 3.12Å
401	K	97.6	Very high	97.6	Very high	122 Å²	122	40.8 Å²	40.8	53%	0.53	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-46.7	178.7	-168.3	-164.2	-177.2	-51.5	0	110.8	E397 E398 G399 Y403 Y404 D405	E397-K401 VanDerWaalsContact O-CB 3.31Å; E397-K401 WeakPolarHBondContact O-CB 3.47Å; E397-K401 PolarHBondContact O-N 2.92Å; E398-K401 PolarHBondContact O-N 3.01Å; G399-K401 PolarHBondContact O-N 3.24Å; K401-Y403 VanDerWaalsContact C-N 3.26Å; K401-Y403 PolarHBondContact O-N 2.68Å; K401-Y404 PolarHBondContact O-N 2.94Å; K401-D405 IonicContact NZ-OD1 3.71Å; K401-D405 PolarHBondContact NZ-OD1 2.84Å; K401-D405 IonicContact NZ-OD2 3.62Å; K401-D405 PolarHBondContact NZ-OD2 3.24Å; K401-D405 VanDerWaalsContact O-CB 3.32Å; K401-D405 WeakPolarHBondContact O-CB 3.27Å; K401-D405 PolarHBondContact O-N 3.05Å
402	M	98.4	Very high	97.6	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-39	177.3	-71.3	177.7	72.3	0	0	111.9	L346 N347 Y356 F381 L385 E398 G399 A406	L346-M402 HydrophobicContact CB-CE 4.29Å; N347-M402 PolarHBondContact ND2-SD 3.05Å; N347-M402 WeakPolarHBondContact OD1-CE 3.2Å; N347-M402 PolarHBondContact OD1-SD 3.42Å; Y356-M402 HydrophobicContact CE1-CE 4.28Å; F381-M402 HydrophobicContact CZ-CE 4.32Å; L385-M402 HydrophobicContact CD1-CB 3.97Å; L385-M402 HydrophobicContact CD2-CB 3.91Å; L385-M402 HydrophobicContact CD2-CE 3.89Å; L385-M402 HydrophobicContact CD2-SD 4.23Å; L385-M402 HydrophobicContact CG-CB 4.41Å; E398-M402 HydrophobicContact CG-CG 4.48Å; E398-M402 HydrophobicContact CG-SD 4.1Å; E398-M402 WeakPolarHBondContact O-CB 3.44Å; E398-M402 VanDerWaalsContact O-CG 3.29Å; E398-M402 WeakPolarHBondContact O-CG 3.35Å; E398-M402 PolarHBondContact O-N 3.44Å; G399-M402 PolarHBondContact O-N 2.94Å; M402-A406 WeakPolarHBondContact O-CB 3.44Å; M402-A406 PolarHBondContact O-N 2.87Å
403	Y	98.6	Very high	97.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-55.7	176.8	174.5	-111.4	0	0	0	112	L385 L386 G399 K400 K401 D405 A406 L407 M447	L385-Y403 HydrophobicContact CB-CD2 4.4Å; L386-Y403 HydrophobicContact CB-CD1 4.18Å; L386-Y403 HydrophobicContact CB-CD2 3.71Å; L386-Y403 HydrophobicContact CB-CE1 4.25Å; L386-Y403 HydrophobicContact CB-CE2 3.79Å; L386-Y403 HydrophobicContact CB-CG 3.91Å; L386-Y403 HydrophobicContact CD1-CD1 4.13Å; L386-Y403 HydrophobicContact CD1-CE1 3.97Å; L386-Y403 HydrophobicContact CD2-CE1 4.33Å; L386-Y403 HydrophobicContact CD2-CE2 4.27Å; L386-Y403 HydrophobicContact CG-CE1 4.41Å; G399-Y403 WeakPolarHBondContact O-CB 3.4Å; G399-Y403 PolarHBondContact O-N 2.98Å; K400-Y403 WeakPolarHBondContact O-CB 3.44Å; K400-Y403 PolarHBondContact O-N 3.3Å; K401-Y403 VanDerWaalsContact C-N 3.26Å; K401-Y403 PolarHBondContact O-N 2.68Å; Y403-D405 PolarHBondContact O-N 3.16Å; Y403-A406 PolarHBondContact O-N 3.03Å; Y403-L407 HydrophobicContact CE1-CD2 4.2Å; Y403-L407 WeakPolarHBondContact O-CB 3.19Å; Y403-L407 PolarHBondContact O-N 3.3Å; Y403-M447 HydrophobicContact CE2-CE 4.09Å; Y403-M447 HydrophobicContact CE2-CG 4.01Å; Y403-M447 HydrophobicContact CE2-SD 3.82Å; Y403-M447 PolarHBondContact OH-O 2.95Å
404	Y	98.3	Very high	97.7	Very high	21 Å²	21	41.9 Å²	41.9	8%	0.082	21%	0.208	C	C	.	.	H	α-helix	trans	-70.6	-32.4	-177.3	-65.5	-66	0	0	0	113.3	K400 K401 A406 L407 Q408 G451 G454 A455 P456	K400-Y404 HydrophobicContact CG-CD2 3.98Å; K400-Y404 HydrophobicContact CG-CE2 3.66Å; K400-Y404 WeakPolarHBondContact O-CD2 3.32Å; K400-Y404 PolarHBondContact O-N 3.32Å; K400-Y404 VanDerWaalsContact O-N 3.12Å; K401-Y404 PolarHBondContact O-N 2.94Å; Y404-A406 VanDerWaalsContact C-N 3.34Å; Y404-L407 HydrophobicContact CD1-CD2 4.46Å; Y404-Q408 VanDerWaalsContact O-CB 3.28Å; Y404-Q408 WeakPolarHBondContact O-CB 3.26Å; Y404-Q408 PolarHBondContact O-N 3.02Å; Y404-G451 PolarHBondContact OH-O 2.85Å; Y404-G454 WeakPolarHBondContact CE2-O 3.43Å; Y404-G454 WeakPolarHBondContact OH-CA 3.42Å; Y404-G454 PolarHBondContact OH-O 3.44Å; Y404-A455 HydrophobicContact CE1-CB 4.31Å; Y404-A455 PolarHBondContact OH-N 2.87Å; Y404-P456 HydrophobicContact CD1-CG 4.44Å; Y404-P456 HydrophobicContact CD2-CG 4.28Å; Y404-P456 HydrophobicContact CG-CG 4.02Å
405	D	98.1	Very high	97.8	Very high	75 Å²	75	38.4 Å²	38.4	40%	0.401	19%	0.193	S	C	.	.	H	α-helix	trans	-58.2	-47.4	169.1	-73	-11.2	0	0	0	110.4	K401 Y403 A409	K401-D405 IonicContact NZ-OD1 3.71Å; K401-D405 PolarHBondContact NZ-OD1 2.84Å; K401-D405 IonicContact NZ-OD2 3.62Å; K401-D405 PolarHBondContact NZ-OD2 3.24Å; K401-D405 VanDerWaalsContact O-CB 3.32Å; K401-D405 WeakPolarHBondContact O-CB 3.27Å; K401-D405 PolarHBondContact O-N 3.05Å; Y403-D405 PolarHBondContact O-N 3.16Å; D405-A409 PolarHBondContact O-N 3.21Å
406	A	98.5	Very high	97.9	Very high	2 Å²	2	39 Å²	39	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-68.1	-44.5	-179.7	0	0	0	0	0	112.2	Y356 Y382 L385 M402 Y403 Y404 Q408 A409 I410	Y356-A406 HydrophobicContact CD2-CB 4.32Å; Y356-A406 HydrophobicContact CE2-CB 3.89Å; Y382-A406 HydrophobicContact CD1-CB 3.91Å; Y382-A406 HydrophobicContact CE1-CB 4.1Å; L385-A406 HydrophobicContact CD1-CB 4.41Å; M402-A406 WeakPolarHBondContact O-CB 3.44Å; M402-A406 PolarHBondContact O-N 2.87Å; Y403-A406 PolarHBondContact O-N 3.03Å; Y404-A406 VanDerWaalsContact C-N 3.34Å; A406-Q408 VanDerWaalsContact C-N 3.33Å; A406-Q408 PolarHBondContact O-N 2.8Å; A406-A409 WeakPolarHBondContact O-CB 3.41Å; A406-A409 PolarHBondContact O-N 2.83Å; A406-A409 VanDerWaalsContact O-N 3.14Å; A406-I410 VanDerWaalsContact O-CG1 3.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.35Å; A406-I410 PolarHBondContact O-N 3.01Å
407	L	98.4	Very high	97.9	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-41.9	177.7	179.8	58.2	0	0	0	111.4	Y403 Y404 A409 I410 E411 M415 I448	Y403-L407 HydrophobicContact CE1-CD2 4.2Å; Y403-L407 WeakPolarHBondContact O-CB 3.19Å; Y403-L407 PolarHBondContact O-N 3.3Å; Y404-L407 HydrophobicContact CD1-CD2 4.46Å; L407-A409 VanDerWaalsContact C-N 3.3Å; L407-A409 PolarHBondContact O-N 3.03Å; L407-I410 PolarHBondContact O-N 2.73Å; L407-E411 WeakPolarHBondContact O-CB 3.43Å; L407-E411 PolarHBondContact O-N 3.39Å; L407-M415 HydrophobicContact CD1-CE 4.21Å; L407-I448 HydrophobicContact CD1-CD1 3.79Å; L407-I448 HydrophobicContact CD1-CG1 3.84Å; L407-I448 HydrophobicContact CD2-CG1 4.39Å
408	Q	97.8	Very high	98	Very high	75 Å²	75	39.6 Å²	39.6	35%	0.35	19%	0.189	S	C	.	.	H	α-helix	trans	-63.6	-35.4	175.7	-173.6	61.6	88.6	0	0	112.3	Y404 A406 E411 T412	Y404-Q408 VanDerWaalsContact O-CB 3.28Å; Y404-Q408 WeakPolarHBondContact O-CB 3.26Å; Y404-Q408 PolarHBondContact O-N 3.02Å; A406-Q408 VanDerWaalsContact C-N 3.33Å; A406-Q408 PolarHBondContact O-N 2.8Å; Q408-E411 PolarHBondContact NE2-OE2 2.86Å; Q408-T412 WeakPolarHBondContact O-CB 3.45Å; Q408-T412 PolarHBondContact O-N 3.15Å; Q408-T412 VanDerWaalsContact O-N 3.16Å; Q408-T412 PolarHBondContact O-OG1 3.03Å
409	A	98.2	Very high	97.9	Very high	9 Å²	9	42.1 Å²	42.1	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-72.9	-38.4	174.4	0	0	0	0	0	112.6	L355 D405 A406 L407 T412 N413	L355-A409 HydrophobicContact CD2-CB 3.91Å; D405-A409 PolarHBondContact O-N 3.21Å; A406-A409 WeakPolarHBondContact O-CB 3.41Å; A406-A409 PolarHBondContact O-N 2.83Å; A406-A409 VanDerWaalsContact O-N 3.14Å; L407-A409 VanDerWaalsContact C-N 3.3Å; L407-A409 PolarHBondContact O-N 3.03Å; A409-T412 PolarHBondContact O-N 3.27Å; A409-N413 WeakPolarHBondContact O-CB 3.37Å; A409-N413 PolarHBondContact O-N 3.07Å; A409-N413 PolarHBondContact O-ND2 2.61Å
410	I	98.4	Very high	97.8	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-47.2	174.5	-71.2	161.9	0	0	0	110.5	V374 Y382 A406 L407 T412 L414 M415 I425	V374-I410 HydrophobicContact CG1-CD1 4.43Å; V374-I410 HydrophobicContact CG2-CD1 3.72Å; V374-I410 HydrophobicContact CG2-CG1 3.83Å; V374-I410 HydrophobicContact CG2-CG2 3.91Å; Y382-I410 HydrophobicContact CD1-CD1 3.95Å; Y382-I410 HydrophobicContact CD2-CD1 4.44Å; Y382-I410 HydrophobicContact CE1-CD1 3.96Å; Y382-I410 HydrophobicContact CE2-CD1 4.46Å; Y382-I410 HydrophobicContact CG-CD1 4.2Å; A406-I410 VanDerWaalsContact O-CG1 3.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.35Å; A406-I410 PolarHBondContact O-N 3.01Å; L407-I410 PolarHBondContact O-N 2.73Å; I410-T412 PolarHBondContact O-N 3.42Å; I410-L414 HydrophobicContact CG2-CB 4.43Å; I410-L414 WeakPolarHBondContact O-CA 3.39Å; I410-L414 WeakPolarHBondContact O-CB 3.35Å; I410-L414 PolarHBondContact O-N 3.04Å; I410-M415 HydrophobicContact CG2-CE 4.17Å; I410-M415 HydrophobicContact CG2-CG 4.32Å; I410-M415 PolarHBondContact O-N 3.15Å; I410-I425 HydrophobicContact CG2-CG2 4.14Å
411	E	97.6	Very high	97.7	Very high	44 Å²	44	44.1 Å²	44.1	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-53.9	-51.7	173.6	172.9	174.9	-133.9	0	0	111.4	L407 Q408 M415 H462 Q466	L407-E411 WeakPolarHBondContact O-CB 3.43Å; L407-E411 PolarHBondContact O-N 3.39Å; Q408-E411 PolarHBondContact NE2-OE2 2.86Å; E411-M415 HydrophobicContact CB-SD 4.22Å; E411-H462 IonicContact OE1-CD2 2.63Å; E411-H462 IonicContact OE1-CE1 3.28Å; E411-H462 IonicContact OE1-NE2 3.89Å; E411-H462 PolarHBondContact OE1-NE2 3.44Å; E411-Q466 PolarHBondContact OE1-NE2 3.13Å
412	T	97.6	Very high	97.8	Very high	82 Å²	82	38.3 Å²	38.3	50%	0.503	21%	0.213	S	C	.	.	H	α-helix	trans	-65	-47.9	-176.9	-54.9	0	0	0	0	112.1	Q408 A409 I410 R416	Q408-T412 WeakPolarHBondContact O-CB 3.45Å; Q408-T412 PolarHBondContact O-N 3.15Å; Q408-T412 VanDerWaalsContact O-N 3.16Å; Q408-T412 PolarHBondContact O-OG1 3.03Å; A409-T412 PolarHBondContact O-N 3.27Å; I410-T412 PolarHBondContact O-N 3.42Å; T412-R416 PolarHBondContact O-NH1 3.15Å; T412-R416 PolarHBondContact O-NH2 2.85Å; T412-R416 VanDerWaalsContact O-NH2 3.1Å
413	N	97.9	Very high	97.8	Very high	31 Å²	31	39 Å²	39	17%	0.166	22%	0.217	C	C	.	.	H	α-helix	trans	-97.8	-34.4	-165.9	-64	-78.4	0	0	0	114.2	Q353 L355 A409 R416 L433	Q353-N413 PolarHBondContact O-ND2 3.5Å; L355-N413 HydrophobicContact CD1-CB 3.93Å; L355-N413 HydrophobicContact CD2-CB 4.22Å; L355-N413 HydrophobicContact CG-CB 4.41Å; A409-N413 WeakPolarHBondContact O-CB 3.37Å; A409-N413 PolarHBondContact O-N 3.07Å; A409-N413 PolarHBondContact O-ND2 2.61Å; N413-R416 PolarHBondContact O-NH2 3.07Å; N413-L433 WeakPolarHBondContact O-CD2 3.29Å
414	L	98.3	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-32.3	-168.8	-80.8	63.6	0	0	0	113.6	L355 V372 V374 I410 R416 I425 A426 W428	L355-L414 HydrophobicContact CD1-CD1 3.62Å; L355-L414 HydrophobicContact CD2-CD1 3.74Å; L355-L414 HydrophobicContact CG-CD1 4.35Å; V372-L414 HydrophobicContact CG1-CD2 4.1Å; V374-L414 HydrophobicContact CG2-CD2 3.91Å; I410-L414 HydrophobicContact CG2-CB 4.43Å; I410-L414 WeakPolarHBondContact O-CA 3.39Å; I410-L414 WeakPolarHBondContact O-CB 3.35Å; I410-L414 PolarHBondContact O-N 3.04Å; L414-R416 PolarHBondContact O-N 3.24Å; L414-I425 HydrophobicContact CB-CG2 3.82Å; L414-I425 HydrophobicContact CD2-CG2 4.28Å; L414-A426 VanDerWaalsContact CD2-O 3.32Å; L414-A426 WeakPolarHBondContact CD2-O 3.2Å; L414-A426 VanDerWaalsContact CG-O 3.26Å; L414-A426 WeakPolarHBondContact CG-O 3.46Å; L414-A426 PolarHBondContact O-N 2.85Å; L414-W428 HydrophobicContact CD1-CB 3.84Å; L414-W428 HydrophobicContact CD1-CG 4.41Å; L414-W428 HydrophobicContact CG-CB 4.2Å
415	M	98.4	Very high	97.8	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.1	178.3	-67.6	-169.4	-179.9	0	0	111.4	L407 I410 E411 Y424 I425 I448 I470	L407-M415 HydrophobicContact CD1-CE 4.21Å; I410-M415 HydrophobicContact CG2-CE 4.17Å; I410-M415 HydrophobicContact CG2-CG 4.32Å; I410-M415 PolarHBondContact O-N 3.15Å; E411-M415 HydrophobicContact CB-SD 4.22Å; M415-Y424 WeakPolarHBondContact CA-O 3.45Å; M415-I425 HydrophobicContact CE-CD1 4.31Å; M415-I425 HydrophobicContact CG-CG1 4.24Å; M415-I448 HydrophobicContact CE-CD1 3.66Å; M415-I470 HydrophobicContact CE-CD1 4.17Å
416	R	98.3	Very high	97.8	Very high	86 Å²	86	35 Å²	35	33%	0.325	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.8	-179.6	-60.6	-64	172.3	-115.3	10.9	110.1	T412 N413 L414 T423 Y424 L433	T412-R416 PolarHBondContact O-NH1 3.15Å; T412-R416 PolarHBondContact O-NH2 2.85Å; T412-R416 VanDerWaalsContact O-NH2 3.1Å; N413-R416 PolarHBondContact O-NH2 3.07Å; L414-R416 PolarHBondContact O-N 3.24Å; R416-T423 WeakPolarHBondContact O-CA 3.36Å; R416-Y424 HydrophobicContact CB-CD2 4.49Å; R416-Y424 HydrophobicContact CB-CE1 4.05Å; R416-Y424 HydrophobicContact CB-CE2 3.84Å; R416-Y424 PolarHBondContact N-O 2.75Å; R416-Y424 WeakPolarHBondContact O-CD1 3.25Å; R416-Y424 PolarHBondContact O-N 2.94Å; R416-L433 HydrophobicContact CG-CD1 4.24Å
417	K	97.9	Very high	97.8	Very high	117 Å²	117	36.1 Å²	36.1	51%	0.509	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.7	176.1	-144.8	161.8	-170	148.6	0	110.3	G421 L422 T423 E469	K417-G421 WeakPolarHBondContact CE-O 3.43Å; K417-L422 CarbonylContact C-O 3.58Å; K417-L422 VanDerWaalsContact CA-O 3.29Å; K417-L422 WeakPolarHBondContact CA-O 3.46Å; K417-T423 VanDerWaalsContact CE-OG1 3.31Å; K417-T423 WeakPolarHBondContact CE-OG1 3.39Å; K417-T423 PolarHBondContact NZ-OG1 3.07Å; K417-E469 VanDerWaalsContact CE-OE2 3.23Å; K417-E469 WeakPolarHBondContact CE-OE2 3.3Å; K417-E469 IonicContact NZ-OE2 3.77Å; K417-E469 PolarHBondContact NZ-OE2 3.3Å
418	S	97.5	Very high	97.7	Very high	17 Å²	17	36.9 Å²	36.9	12%	0.119	20%	0.204	C	C	.	.			trans	-82.9	176.6	-177.5	82.4	0	0	0	0	111.9	S420 G421 L422 E497	S418-S420 PolarHBondContact OG-N 3.46Å; S418-G421 PolarHBondContact O-N 3.45Å; S418-G421 PolarHBondContact OG-N 2.91Å; S418-L422 PolarHBondContact N-O 2.99Å; S418-L422 WeakPolarHBondContact OG-CB 3.3Å; S418-L422 PolarHBondContact OG-N 2.8Å; S418-E497 WeakPolarHBondContact CB-OE1 3.39Å; S418-E497 VanDerWaalsContact CB-OE2 3.25Å; S418-E497 WeakPolarHBondContact CB-OE2 3.21Å; S418-E497 PolarHBondContact OG-OE1 2.95Å; S418-E497 PolarHBondContact OG-OE2 3.21Å
419	S	94.8	Very high	97.6	Very high	124 Å²	124	37 Å²	37	87%	0.867	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.6	177.9	74.1	0	0	0	0	112.9	G421 E497	S419-G421 VanDerWaalsContact C-N 3.27Å; S419-E497 WeakPolarHBondContact CA-OE1 3.21Å; S419-E497 WeakPolarHBondContact CB-OE1 3.3Å; S419-E497 PolarHBondContact N-OE1 3.16Å; S419-E497 PolarHBondContact OG-OE1 3.39Å
420	S	94.6	Very high	97.1	Very high	70 Å²	70	39.5 Å²	39.5	49%	0.49	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.5	168.3	77.3	0	0	0	0	114	S418 E497	S418-S420 PolarHBondContact OG-N 3.46Å; S420-E497 VanDerWaalsContact CB-OE2 3.31Å; S420-E497 WeakPolarHBondContact CB-OE2 3.47Å; S420-E497 PolarHBondContact N-OE1 2.87Å; S420-E497 VanDerWaalsContact N-OE1 3.12Å; S420-E497 PolarHBondContact N-OE2 3.29Å; S420-E497 PolarHBondContact OG-OE2 3.45Å
421	G	97.1	Very high	96.7	Very high	20 Å²	20	41.8 Å²	41.8	21%	0.206	26%	0.255	C	S	.	.			trans	84.9	22.5	176.9	0	0	0	0	0	115.1	K417 S418 S419 R472	K417-G421 WeakPolarHBondContact CE-O 3.43Å; S418-G421 PolarHBondContact O-N 3.45Å; S418-G421 PolarHBondContact OG-N 2.91Å; S419-G421 VanDerWaalsContact C-N 3.27Å; G421-R472 PolarHBondContact O-NH2 3Å
422	L	98.4	Very high	96.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.279	C	S	.	.			trans	-77.3	132.8	170.2	-62.9	172.6	0	0	0	110.5	K417 S418 T473 E476 F492 E497 A498	K417-L422 CarbonylContact C-O 3.58Å; K417-L422 VanDerWaalsContact CA-O 3.29Å; K417-L422 WeakPolarHBondContact CA-O 3.46Å; S418-L422 PolarHBondContact N-O 2.99Å; S418-L422 WeakPolarHBondContact OG-CB 3.3Å; S418-L422 PolarHBondContact OG-N 2.8Å; L422-T473 HydrophobicContact CB-CG2 4.32Å; L422-E476 HydrophobicContact CD1-CB 4.48Å; L422-E476 HydrophobicContact CD2-CB 4.19Å; L422-E476 HydrophobicContact CD2-CG 3.82Å; L422-F492 HydrophobicContact CB-CE1 4.15Å; L422-F492 HydrophobicContact CD1-CE1 3.95Å; L422-E497 HydrophobicContact CD1-CB 4.35Å; L422-A498 HydrophobicContact CD1-CB 3.91Å
423	T	98.7	Very high	96.6	Very high	18 Å²	18	44.6 Å²	44.6	11%	0.11	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.1	175.9	-54.5	0	0	0	0	109.6	R416 K417 E469 T473	R416-T423 WeakPolarHBondContact O-CA 3.36Å; K417-T423 VanDerWaalsContact CE-OG1 3.31Å; K417-T423 WeakPolarHBondContact CE-OG1 3.39Å; K417-T423 PolarHBondContact NZ-OG1 3.07Å; T423-E469 PolarHBondContact OG1-OE2 3.32Å; T423-T473 PolarHBondContact N-OG1 3.33Å; T423-T473 VanDerWaalsContact O-CB 3.28Å; T423-T473 WeakPolarHBondContact O-CB 3.21Å; T423-T473 PolarHBondContact O-OG1 3.46Å
424	Y	98.8	Very high	96.6	Very high	10 Å²	10	45.1 Å²	45.1	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.6	-175.5	63.1	-87.4	0	0	0	111.9	M415 R416 A426 H435 F492	M415-Y424 WeakPolarHBondContact CA-O 3.45Å; R416-Y424 HydrophobicContact CB-CD2 4.49Å; R416-Y424 HydrophobicContact CB-CE1 4.05Å; R416-Y424 HydrophobicContact CB-CE2 3.84Å; R416-Y424 PolarHBondContact N-O 2.75Å; R416-Y424 WeakPolarHBondContact O-CD1 3.25Å; R416-Y424 PolarHBondContact O-N 2.94Å; Y424-A426 HydrophobicContact CD2-CB 4.48Å; Y424-A426 HydrophobicContact CE2-CB 4.25Å; Y424-H435 HydrophobicContact CE2-CB 4.44Å; Y424-H435 AromaticContact CE2-ND1 3.82Å; Y424-H435 AromaticContact CZ-ND1 3.76Å; Y424-H435 PolarHBondContact OH-ND1 2.67Å; Y424-F492 VanDerWaalsContact CB-CE2 3.42Å; Y424-F492 HydrophobicContact CD1-CB 4.11Å; Y424-F492 AromaticContact CD1-CD1 3.67Å; Y424-F492 HydrophobicContact CD1-CD1 3.67Å; Y424-F492 AromaticContact CD1-CD2 3.73Å; Y424-F492 HydrophobicContact CD1-CD2 3.73Å; Y424-F492 AromaticContact CD1-CE1 3.99Å; Y424-F492 HydrophobicContact CD1-CE1 3.99Å; Y424-F492 HydrophobicContact CD1-CE2 4.06Å; Y424-F492 AromaticContact CD1-CG 3.53Å; Y424-F492 HydrophobicContact CD1-CG 3.53Å; Y424-F492 HydrophobicContact CD1-CZ 4.18Å; Y424-F492 HydrophobicContact CD2-CB 4.45Å; Y424-F492 AromaticContact CD2-CD2 3.47Å; Y424-F492 HydrophobicContact CD2-CD2 3.47Å; Y424-F492 VanDerWaalsContact CD2-CD2 3.47Å; Y424-F492 AromaticContact CD2-CE2 3.91Å; Y424-F492 HydrophobicContact CD2-CE2 3.91Å; Y424-F492 HydrophobicContact CD2-CG 4.02Å; Y424-F492 HydrophobicContact CE1-CB 3.64Å; Y424-F492 AromaticContact CE1-CD1 3.96Å; Y424-F492 HydrophobicContact CE1-CD1 3.96Å; Y424-F492 HydrophobicContact CE1-CD2 4.1Å; Y424-F492 AromaticContact CE1-CG 3.62Å; Y424-F492 HydrophobicContact CE1-CG 3.62Å; Y424-F492 HydrophobicContact CE2-CB 4.01Å; Y424-F492 AromaticContact CE2-CD2 3.87Å; Y424-F492 HydrophobicContact CE2-CD2 3.87Å; Y424-F492 HydrophobicContact CE2-CG 4.09Å; Y424-F492 HydrophobicContact CG-CB 4.49Å; Y424-F492 HydrophobicContact CG-CD1 4.17Å; Y424-F492 AromaticContact CG-CD2 3.4Å; Y424-F492 HydrophobicContact CG-CD2 3.4Å; Y424-F492 VanDerWaalsContact CG-CD2 3.4Å; Y424-F492 HydrophobicContact CG-CE1 4.27Å; Y424-F492 AromaticContact CG-CE2 3.54Å; Y424-F492 HydrophobicContact CG-CE2 3.54Å; Y424-F492 AromaticContact CG-CG 3.75Å; Y424-F492 HydrophobicContact CG-CG 3.75Å; Y424-F492 AromaticContact CG-CZ 3.98Å; Y424-F492 HydrophobicContact CG-CZ 3.98Å; Y424-F492 AromaticContact CZ-CG 3.9Å
425	I	98.7	Very high	96.5	Very high	3 Å²	3	48 Å²	48	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.8	174.6	-46.5	-178	0	0	0	108.3	V374 I410 L414 M415 M437 T441 A444 I470	V374-I425 HydrophobicContact CB-CD1 4.5Å; V374-I425 HydrophobicContact CB-CG2 4.06Å; V374-I425 HydrophobicContact CG1-CD1 4.44Å; V374-I425 HydrophobicContact CG2-CG2 3.85Å; I410-I425 HydrophobicContact CG2-CG2 4.14Å; L414-I425 HydrophobicContact CB-CG2 3.82Å; L414-I425 HydrophobicContact CD2-CG2 4.28Å; M415-I425 HydrophobicContact CE-CD1 4.31Å; M415-I425 HydrophobicContact CG-CG1 4.24Å; I425-M437 WeakPolarHBondContact O-CB 3.36Å; I425-T441 HydrophobicContact CB-CG2 3.85Å; I425-T441 HydrophobicContact CD1-CG2 4.1Å; I425-T441 HydrophobicContact CG1-CG2 4.32Å; I425-T441 HydrophobicContact CG2-CG2 4.43Å; I425-A444 HydrophobicContact CD1-CB 3.75Å; I425-I470 HydrophobicContact CD1-CD1 4.14Å; I425-I470 HydrophobicContact CG1-CD1 4.47Å
426	A	98.3	Very high	96.5	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-85.2	158.4	178.9	0	0	0	0	0	112.7	L414 Y424 L433	L414-A426 VanDerWaalsContact CD2-O 3.32Å; L414-A426 WeakPolarHBondContact CD2-O 3.2Å; L414-A426 VanDerWaalsContact CG-O 3.26Å; L414-A426 WeakPolarHBondContact CG-O 3.46Å; L414-A426 PolarHBondContact O-N 2.85Å; Y424-A426 HydrophobicContact CD2-CB 4.48Å; Y424-A426 HydrophobicContact CE2-CB 4.25Å; A426-L433 HydrophobicContact CB-CD2 4.13Å
427	E	97.6	Very high	96.5	Very high	25 Å²	25	44.8 Å²	44.8	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	146.4	164.6	-69.4	-173.7	-131.2	0	0	110.7	H371 K429 L433 E434 K436	H371-E427 IonicContact CD2-OE2 2.82Å; H371-E427 IonicContact CE1-OE2 3.87Å; H371-E427 PolarHBondContact CE1-OE2 3.28Å; H371-E427 IonicContact NE2-OE2 2.78Å; H371-E427 PolarHBondContact NE2-OE2 3.11Å; E427-K429 WeakPolarHBondContact OE2-CE 3.36Å; E427-K429 IonicContact OE2-NZ 2.67Å; E427-K429 PolarHBondContact OE2-NZ 3.11Å; E427-L433 WeakPolarHBondContact O-CA 3.37Å; E427-E434 HydrophobicContact CB-CB 4.39Å; E427-E434 PolarHBondContact N-O 2.64Å; E427-E434 PolarHBondContact O-N 3.16Å; E427-K436 IonicContact OE1-NZ 2.75Å
428	W	97.3	Very high	96.5	Very high	23 Å²	23	40 Å²	40	9%	0.087	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.4	176.5	-179.2	97.3	0	0	0	111.7	L355 H370 H371 V372 L414 G431 L432 L433	L355-W428 HydrophobicContact CD1-CD2 4.01Å; L355-W428 HydrophobicContact CD1-CE3 4.24Å; L355-W428 HydrophobicContact CD1-CG 4.2Å; H370-W428 HydrophobicContact CB-CH2 4.41Å; H370-W428 HydrophobicContact CB-CZ3 3.99Å; H370-W428 VanDerWaalsContact O-CZ3 3.32Å; H370-W428 WeakPolarHBondContact O-CZ3 3.49Å; H371-W428 CarbonylContact C-O 3.59Å; H371-W428 WeakPolarHBondContact CA-O 3.48Å; V372-W428 HydrophobicContact CB-CB 4.35Å; V372-W428 HydrophobicContact CB-CE3 4.09Å; V372-W428 HydrophobicContact CG2-CE3 3.61Å; V372-W428 HydrophobicContact CG2-CZ3 3.97Å; V372-W428 PolarHBondContact N-O 3Å; V372-W428 PolarHBondContact O-N 3.43Å; L414-W428 HydrophobicContact CD1-CB 3.84Å; L414-W428 HydrophobicContact CD1-CG 4.41Å; L414-W428 HydrophobicContact CG-CB 4.2Å; W428-G431 VanDerWaalsContact CE2-N 3.29Å; W428-L432 CarbonylContact C-O 3.57Å; W428-L432 WeakPolarHBondContact CA-O 3.39Å; W428-L433 HydrophobicContact CB-CD2 3.86Å; W428-L433 HydrophobicContact CG-CD2 4.23Å
429	K	94.9	Very high	96.5	Very high	76 Å²	76	39.2 Å²	39.2	33%	0.33	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	100.1	-173.5	-71.5	165.4	-171.3	165.5	0	109.9	H371 E427 G431 L432 E434	H371-K429 HydrophobicContact CB-CG 4.31Å; H371-K429 WeakPolarHBondContact CD2-CE 3.39Å; H371-K429 WeakPolarHBondContact NE2-CE 3.05Å; E427-K429 WeakPolarHBondContact OE2-CE 3.36Å; E427-K429 IonicContact OE2-NZ 2.67Å; E427-K429 PolarHBondContact OE2-NZ 3.11Å; K429-G431 PolarHBondContact O-N 3Å; K429-G431 VanDerWaalsContact O-N 3.1Å; K429-L432 PolarHBondContact N-O 2.76Å; K429-L432 PolarHBondContact O-N 3.13Å; K429-E434 IonicContact NZ-OE2 3.23Å; K429-E434 PolarHBondContact NZ-OE2 3.18Å
430	G	88.3	Confident	96.7	Very high	63 Å²	63	35.2 Å²	35.2	65%	0.649	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	22.8	171.8	0	0	0	0	0	115.8	H370	H370-G430 PolarHBondContact O-N 3.41Å
431	G	89.5	Confident	96.9	Very high	51 Å²	51	32.1 Å²	32.1	53%	0.526	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.2	-17.3	-175.5	0	0	0	0	0	114.5	W428 K429	W428-G431 VanDerWaalsContact CE2-N 3.29Å; K429-G431 PolarHBondContact O-N 3Å; K429-G431 VanDerWaalsContact O-N 3.1Å
432	L	95.8	Very high	97	Very high	136 Å²	136	31.1 Å²	31.1	71%	0.712	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.7	179.9	-60.8	174.6	0	0	0	111.3	W428 K429	W428-L432 CarbonylContact C-O 3.57Å; W428-L432 WeakPolarHBondContact CA-O 3.39Å; K429-L432 PolarHBondContact N-O 2.76Å; K429-L432 PolarHBondContact O-N 3.13Å
433	L	97.3	Very high	97	Very high	48 Å²	48	31.5 Å²	31.5	25%	0.251	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.9	170.2	-68.3	175.5	0	0	0	110.8	N413 R416 A426 E427 W428	N413-L433 WeakPolarHBondContact O-CD2 3.29Å; R416-L433 HydrophobicContact CG-CD1 4.24Å; A426-L433 HydrophobicContact CB-CD2 4.13Å; E427-L433 WeakPolarHBondContact O-CA 3.37Å; W428-L433 HydrophobicContact CB-CD2 3.86Å; W428-L433 HydrophobicContact CG-CD2 4.23Å
434	E	97.2	Very high	97	Very high	43 Å²	43	30.7 Å²	30.7	20%	0.201	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118	162.3	-174.2	171.1	-174.7	0	0	107.6	E427 K429 K436 R491 R502	E427-E434 HydrophobicContact CB-CB 4.39Å; E427-E434 PolarHBondContact N-O 2.64Å; E427-E434 PolarHBondContact O-N 3.16Å; K429-E434 IonicContact NZ-OE2 3.23Å; K429-E434 PolarHBondContact NZ-OE2 3.18Å; E434-K436 HydrophobicContact CG-CB 4.13Å; E434-K436 PolarHBondContact O-N 2.88Å; E434-R491 IonicContact OE1-CZ 3.05Å; E434-R491 IonicContact OE1-NH2 3.27Å; E434-R491 PolarHBondContact OE1-NH2 3.14Å; E434-R502 IonicContact OE1-CZ 2.92Å; E434-R502 IonicContact OE1-NH1 3.23Å; E434-R502 IonicContact OE1-NH2 3.01Å; E434-R502 PolarHBondContact OE1-NH2 2.69Å
435	H	97.8	Very high	97	Very high	61 Å²	61	30.2 Å²	30.2	28%	0.282	18%	0.18	S	C	.	.			trans	-78.8	59.6	-172.7	-69.2	-92.4	0	0	0	111.8	Y424 R491 F492 D493	Y424-H435 HydrophobicContact CE2-CB 4.44Å; Y424-H435 AromaticContact CE2-ND1 3.82Å; Y424-H435 AromaticContact CZ-ND1 3.76Å; Y424-H435 PolarHBondContact OH-ND1 2.67Å; H435-R491 WeakPolarHBondContact O-CA 3.47Å; H435-F492 PolarHBondContact O-N 2.94Å; H435-D493 HydrophobicContact CB-CB 4.01Å
436	K	97.1	Very high	97	Very high	32 Å²	32	30 Å²	30	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.5	-176.4	176.3	-170.3	169.6	-174.5	0	108.1	E427 E434 A489 F490 R491 E505	E427-K436 IonicContact OE1-NZ 2.75Å; E434-K436 HydrophobicContact CG-CB 4.13Å; E434-K436 PolarHBondContact O-N 2.88Å; K436-A489 HydrophobicContact CD-CB 4.33Å; K436-A489 HydrophobicContact CG-CB 4.22Å; K436-F490 WeakPolarHBondContact CA-O 3.2Å; K436-R491 HydrophobicContact CB-CG 4.32Å; K436-E505 WeakPolarHBondContact CE-OE1 3.45Å; K436-E505 IonicContact NZ-OE1 3.6Å; K436-E505 PolarHBondContact NZ-OE1 3.39Å
437	M	98.4	Very high	97	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.4	172.7	-176.3	174	164.6	0	0	108.7	I425 T441 I470 T473 A489 F490 F492	I425-M437 WeakPolarHBondContact O-CB 3.36Å; M437-T441 HydrophobicContact CE-CG2 3.97Å; M437-T441 HydrophobicContact CG-CG2 3.83Å; M437-T441 HydrophobicContact SD-CG2 4.47Å; M437-I470 HydrophobicContact CE-CG2 4.22Å; M437-T473 HydrophobicContact SD-CG2 4.47Å; M437-A489 CarbonylContact O-C 3.38Å; M437-A489 WeakPolarHBondContact O-CA 3.38Å; M437-A489 WeakPolarHBondContact O-CB 3.28Å; M437-F490 HydrophobicContact CB-CD2 4.15Å; M437-F490 HydrophobicContact CB-CE2 3.67Å; M437-F490 HydrophobicContact CB-CZ 4.09Å; M437-F490 HydrophobicContact CE-CZ 4.24Å; M437-F490 HydrophobicContact CG-CE2 3.85Å; M437-F490 HydrophobicContact CG-CZ 3.86Å; M437-F490 PolarHBondContact N-O 3.49Å; M437-F490 PolarHBondContact O-N 3.19Å; M437-F490 HydrophobicContact SD-CE2 3.81Å; M437-F490 HydrophobicContact SD-CZ 4Å; M437-F492 HydrophobicContact CB-CE2 4.03Å
438	G	98.3	Very high	97.1	Very high	15 Å²	15	29.1 Å²	29.1	16%	0.155	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	160.4	177	0	0	0	0	0	112.3	L440 T441 E488	G438-L440 VanDerWaalsContact C-N 3.3Å; G438-T441 PolarHBondContact N-OG1 2.93Å; G438-T441 VanDerWaalsContact O-CB 3.31Å; G438-T441 WeakPolarHBondContact O-CB 3.16Å; G438-T441 PolarHBondContact O-N 2.87Å; G438-T441 VanDerWaalsContact O-N 3.14Å; G438-E488 CarbonylContact C-O 3.47Å; G438-E488 WeakPolarHBondContact CA-O 3.46Å
439	H	98.8	Very high	97.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.171	C	C	.	.	S	Bend	trans	-58.1	-46	167	-164.4	-66.6	0	0	0	110.5	T441 C442 Y478 E488 F508 R511 E513	H439-T441 PolarHBondContact O-N 2.98Å; H439-C442 WeakPolarHBondContact O-CB 3.41Å; H439-C442 PolarHBondContact O-N 3.4Å; H439-Y478 PolarHBondContact CE1-OH 3.45Å; H439-Y478 AromaticContact NE2-CE2 3.39Å; H439-Y478 WeakPolarHBondContact NE2-CE2 3.38Å; H439-Y478 AromaticContact NE2-CZ 3.63Å; H439-Y478 PolarHBondContact NE2-OH 3.36Å; H439-Y478 VanDerWaalsContact NE2-OH 3.1Å; H439-E488 PolarHBondContact N-O 2.91Å; H439-F508 AromaticContact NE2-CD2 3.69Å; H439-F508 AromaticContact NE2-CE2 3.55Å; H439-R511 VanDerWaalsContact CE1-CB 3.45Å; H439-R511 WeakPolarHBondContact CE1-CB 3.31Å; H439-E513 IonicContact CE1-OE2 2.67Å; H439-E513 PolarHBondContact CE1-OE2 3.44Å; H439-E513 IonicContact CG-OE2 3.83Å; H439-E513 IonicContact ND1-OE2 2.69Å; H439-E513 PolarHBondContact ND1-OE2 3.2Å
440	L	98.1	Very high	97.3	Very high	40 Å²	40	25.5 Å²	25.5	21%	0.209	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-43.6	-48.7	168.8	-77.6	161.3	0	0	0	112.4	G438 C442 F443 R511 E513	G438-L440 VanDerWaalsContact C-N 3.3Å; L440-C442 PolarHBondContact O-N 3.47Å; L440-F443 WeakPolarHBondContact O-CD1 3.36Å; L440-F443 PolarHBondContact O-N 2.95Å; L440-F443 VanDerWaalsContact O-N 3.13Å; L440-R511 VanDerWaalsContact CD2-NH1 3.33Å; L440-E513 WeakPolarHBondContact CD2-OE1 3.44Å
441	T	98.8	Very high	97.8	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.031	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-61.4	-13.6	-177.2	-44.9	0	0	0	0	113.8	V374 G375 I425 M437 G438 H439 F443 A444	V374-T441 HydrophobicContact CB-CG2 4.28Å; V374-T441 WeakPolarHBondContact O-CA 3.3Å; V374-T441 WeakPolarHBondContact O-CG2 3.28Å; G375-T441 WeakPolarHBondContact CA-OG1 3.44Å; G375-T441 PolarHBondContact N-OG1 3.29Å; I425-T441 HydrophobicContact CB-CG2 3.85Å; I425-T441 HydrophobicContact CD1-CG2 4.1Å; I425-T441 HydrophobicContact CG1-CG2 4.32Å; I425-T441 HydrophobicContact CG2-CG2 4.43Å; M437-T441 HydrophobicContact CE-CG2 3.97Å; M437-T441 HydrophobicContact CG-CG2 3.83Å; M437-T441 HydrophobicContact SD-CG2 4.47Å; G438-T441 PolarHBondContact N-OG1 2.93Å; G438-T441 VanDerWaalsContact O-CB 3.31Å; G438-T441 WeakPolarHBondContact O-CB 3.16Å; G438-T441 PolarHBondContact O-N 2.87Å; G438-T441 VanDerWaalsContact O-N 3.14Å; H439-T441 PolarHBondContact O-N 2.98Å; T441-F443 VanDerWaalsContact C-N 3.26Å; T441-F443 PolarHBondContact O-N 3.17Å; T441-A444 VanDerWaalsContact O-CB 3.3Å; T441-A444 WeakPolarHBondContact O-CB 3.19Å; T441-A444 PolarHBondContact O-N 3.43Å
442	C	98.9	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-69.1	-19.5	175.4	-69.6	0	0	0	0	114.1	H439 L440 A444 G445 C474 E513 V514 T517	H439-C442 WeakPolarHBondContact O-CB 3.41Å; H439-C442 PolarHBondContact O-N 3.4Å; L440-C442 PolarHBondContact O-N 3.47Å; C442-A444 PolarHBondContact O-N 3.3Å; C442-A444 VanDerWaalsContact O-N 3.11Å; C442-G445 PolarHBondContact O-N 3.44Å; C442-C474 VanDerWaalsContact CA-SG 3.51Å; C442-C474 HydrophobicContact CB-CB 3.84Å; C442-C474 WeakPolarHBondContact CB-SG 3.34Å; C442-C474 WeakPolarHBondContact SG-CB 3.45Å; C442-C474 CovalentContact SG-SG 2.03Å; C442-C474 PolarHBondContact SG-SG 3.16Å; C442-E513 CarbonylContact C-O 3.4Å; C442-V514 HydrophobicContact CB-CB 4.49Å; C442-V514 HydrophobicContact CB-CG2 3.56Å; C442-T517 PolarHBondContact O-OG1 3.46Å
443	F	98.8	Very high	98	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.035	10%	0.101	C	C	.	.	H	α-helix	trans	-54.7	-29.5	171.4	97.3	-83.2	0	0	0	112	V374 D379 E383 L440 T441 G445 G446 M447 E513 E516	V374-F443 HydrophobicContact CG1-CE1 4.04Å; V374-F443 HydrophobicContact CG1-CZ 4.33Å; V374-F443 WeakPolarHBondContact O-CE1 3.48Å; D379-F443 HydrophobicContact CB-CD1 4.06Å; D379-F443 HydrophobicContact CB-CE1 3.55Å; D379-F443 HydrophobicContact CB-CZ 4.25Å; D379-F443 VanDerWaalsContact O-CZ 3.28Å; D379-F443 WeakPolarHBondContact O-CZ 3.24Å; E383-F443 HydrophobicContact CB-CD2 4.35Å; E383-F443 HydrophobicContact CB-CE2 3.62Å; E383-F443 HydrophobicContact CB-CZ 4.35Å; E383-F443 HydrophobicContact CG-CD2 4.11Å; E383-F443 HydrophobicContact CG-CE2 3.84Å; L440-F443 WeakPolarHBondContact O-CD1 3.36Å; L440-F443 PolarHBondContact O-N 2.95Å; L440-F443 VanDerWaalsContact O-N 3.13Å; T441-F443 VanDerWaalsContact C-N 3.26Å; T441-F443 PolarHBondContact O-N 3.17Å; F443-G445 PolarHBondContact O-N 3.22Å; F443-G445 VanDerWaalsContact O-N 3.11Å; F443-G446 PolarHBondContact O-N 3Å; F443-G446 VanDerWaalsContact O-N 3.16Å; F443-M447 HydrophobicContact CD2-CB 4.04Å; F443-M447 HydrophobicContact CE2-CB 3.78Å; F443-M447 HydrophobicContact CE2-CE 4.32Å; F443-M447 HydrophobicContact CE2-CG 4.03Å; F443-M447 HydrophobicContact CE2-SD 3.47Å; F443-M447 WeakPolarHBondContact CE2-SD 3.45Å; F443-M447 HydrophobicContact CZ-CE 4.23Å; F443-M447 HydrophobicContact CZ-SD 3.75Å; F443-M447 PolarHBondContact O-N 3.1Å; F443-E513 HydrophobicContact CB-CB 3.98Å; F443-E513 HydrophobicContact CB-CG 4.44Å; F443-E516 WeakPolarHBondContact CB-OE2 3.47Å
444	A	98.8	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-22.9	-174.3	0	0	0	0	0	113.2	V374 I425 T441 C442 M447 I448	V374-A444 HydrophobicContact CG1-CB 4.4Å; I425-A444 HydrophobicContact CD1-CB 3.75Å; T441-A444 VanDerWaalsContact O-CB 3.3Å; T441-A444 WeakPolarHBondContact O-CB 3.19Å; T441-A444 PolarHBondContact O-N 3.43Å; C442-A444 PolarHBondContact O-N 3.3Å; C442-A444 VanDerWaalsContact O-N 3.11Å; A444-M447 HydrophobicContact CB-CE 4.33Å; A444-I448 WeakPolarHBondContact O-CB 3.48Å; A444-I448 WeakPolarHBondContact O-CD1 3.29Å; A444-I448 WeakPolarHBondContact O-CG1 3.48Å; A444-I448 PolarHBondContact O-N 2.84Å
445	G	98.8	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-56.6	172.4	0	0	0	0	0	111.4	C442 F443 M447 I448 A449 A467	C442-G445 PolarHBondContact O-N 3.44Å; F443-G445 PolarHBondContact O-N 3.22Å; F443-G445 VanDerWaalsContact O-N 3.11Å; G445-M447 PolarHBondContact O-N 3.2Å; G445-I448 PolarHBondContact O-N 3.09Å; G445-A449 PolarHBondContact O-N 3.44Å; G445-A467 VanDerWaalsContact O-CB 3.26Å; G445-A467 WeakPolarHBondContact O-CB 3.44Å
446	G	98.8	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.1	-42	175.8	0	0	0	0	0	112.8	F443 I448 A449 L450 T517	F443-G446 PolarHBondContact O-N 3Å; F443-G446 VanDerWaalsContact O-N 3.16Å; G446-I448 PolarHBondContact O-N 2.83Å; G446-A449 PolarHBondContact O-N 2.93Å; G446-L450 WeakPolarHBondContact O-CB 3.33Å; G446-L450 PolarHBondContact O-N 3.05Å; G446-T517 PolarHBondContact N-OG1 2.88Å
447	M	98.8	Very high	96	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.034	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-45.5	174.3	-176.4	-167.4	64.1	0	0	112.4	E383 L386 Y403 F443 A444 G445 G451	E383-M447 HydrophobicContact CB-SD 4.5Å; L386-M447 HydrophobicContact CD2-CG 3.98Å; L386-M447 WeakPolarHBondContact CD2-O 3.41Å; Y403-M447 HydrophobicContact CE2-CE 4.09Å; Y403-M447 HydrophobicContact CE2-CG 4.01Å; Y403-M447 HydrophobicContact CE2-SD 3.82Å; Y403-M447 PolarHBondContact OH-O 2.95Å; F443-M447 HydrophobicContact CD2-CB 4.04Å; F443-M447 HydrophobicContact CE2-CB 3.78Å; F443-M447 HydrophobicContact CE2-CE 4.32Å; F443-M447 HydrophobicContact CE2-CG 4.03Å; F443-M447 HydrophobicContact CE2-SD 3.47Å; F443-M447 WeakPolarHBondContact CE2-SD 3.45Å; F443-M447 HydrophobicContact CZ-CE 4.23Å; F443-M447 HydrophobicContact CZ-SD 3.75Å; F443-M447 PolarHBondContact O-N 3.1Å; A444-M447 HydrophobicContact CB-CE 4.33Å; G445-M447 PolarHBondContact O-N 3.2Å; M447-G451 PolarHBondContact O-N 3.15Å
448	I	98.8	Very high	95.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-37.9	-178.5	-68.5	166.5	0	0	0	111	L407 M415 A444 G445 G446 G451 A452 Q463 Q466 A467 I470	L407-I448 HydrophobicContact CD1-CD1 3.79Å; L407-I448 HydrophobicContact CD1-CG1 3.84Å; L407-I448 HydrophobicContact CD2-CG1 4.39Å; M415-I448 HydrophobicContact CE-CD1 3.66Å; A444-I448 WeakPolarHBondContact O-CB 3.48Å; A444-I448 WeakPolarHBondContact O-CD1 3.29Å; A444-I448 WeakPolarHBondContact O-CG1 3.48Å; A444-I448 PolarHBondContact O-N 2.84Å; G445-I448 PolarHBondContact O-N 3.09Å; G446-I448 PolarHBondContact O-N 2.83Å; I448-G451 PolarHBondContact O-N 2.94Å; I448-A452 PolarHBondContact O-N 3.31Å; I448-A452 VanDerWaalsContact O-N 3.12Å; I448-Q463 HydrophobicContact CG2-CB 3.82Å; I448-Q463 HydrophobicContact CG2-CG 4.29Å; I448-Q463 VanDerWaalsContact CG2-O 3.26Å; I448-Q463 WeakPolarHBondContact CG2-O 3.36Å; I448-Q466 HydrophobicContact CG2-CB 4.42Å; I448-A467 HydrophobicContact CB-CB 4.25Å; I448-A467 HydrophobicContact CG2-CB 4.2Å; I448-I470 HydrophobicContact CD1-CD1 3.74Å
449	A	98.7	Very high	95.1	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-46.9	173.9	0	0	0	0	0	112.1	G445 G446 G451 A452 M464 A467 M521 F524	G445-A449 PolarHBondContact O-N 3.44Å; G446-A449 PolarHBondContact O-N 2.93Å; A449-G451 PolarHBondContact O-N 3.45Å; A449-A452 WeakPolarHBondContact O-CB 3.5Å; A449-A452 PolarHBondContact O-N 2.87Å; A449-M464 HydrophobicContact CB-CE 4.21Å; A449-M464 HydrophobicContact CB-SD 3.87Å; A449-A467 HydrophobicContact CB-CB 3.87Å; A449-M521 HydrophobicContact CB-SD 3.64Å; A449-F524 HydrophobicContact CB-CD2 3.82Å; A449-F524 HydrophobicContact CB-CE2 4.32Å
450	L	98.5	Very high	94.8	Very high	19 Å²	19	31.2 Å²	31.2	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-27.4	175	-178.6	63	0	0	0	112.7	L386 K387 L390 G446 Y520 F524	L386-L450 HydrophobicContact CD2-CB 4.1Å; L386-L450 HydrophobicContact CD2-CD2 4.18Å; L386-L450 HydrophobicContact CD2-CG 4.04Å; K387-L450 HydrophobicContact CG-CD2 4.32Å; L390-L450 HydrophobicContact CD1-CD1 3.77Å; L390-L450 HydrophobicContact CD1-CD2 3.94Å; L390-L450 HydrophobicContact CD1-CG 3.6Å; G446-L450 WeakPolarHBondContact O-CB 3.33Å; G446-L450 PolarHBondContact O-N 3.05Å; L450-Y520 HydrophobicContact CB-CD1 4.33Å; L450-Y520 HydrophobicContact CB-CE1 4.32Å; L450-Y520 HydrophobicContact CD1-CD1 4.45Å; L450-Y520 HydrophobicContact CD1-CE1 4Å; L450-Y520 HydrophobicContact CD2-CE1 3.86Å; L450-Y520 HydrophobicContact CG-CE1 4.27Å; L450-F524 HydrophobicContact CB-CE2 4.11Å; L450-F524 HydrophobicContact CB-CZ 4.43Å; L450-F524 HydrophobicContact CD1-CE2 4.24Å; L450-F524 HydrophobicContact CD1-CZ 3.83Å
451	G	97.9	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-83.3	-17.1	174.3	0	0	0	0	0	115.2	Y404 M447 I448 A449 D453 G454	Y404-G451 PolarHBondContact OH-O 2.85Å; M447-G451 PolarHBondContact O-N 3.15Å; I448-G451 PolarHBondContact O-N 2.94Å; A449-G451 PolarHBondContact O-N 3.45Å; G451-D453 PolarHBondContact O-N 3.18Å; G451-G454 PolarHBondContact O-N 2.75Å
452	A	97.3	Very high	94.6	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.6	-35.3	-163.7	0	0	0	0	0	114.6	I448 A449 G454 A455 T460 Q463 M464	I448-A452 PolarHBondContact O-N 3.31Å; I448-A452 VanDerWaalsContact O-N 3.12Å; A449-A452 WeakPolarHBondContact O-CB 3.5Å; A449-A452 PolarHBondContact O-N 2.87Å; A452-G454 VanDerWaalsContact C-N 3.32Å; A452-A455 WeakPolarHBondContact O-CB 3.32Å; A452-T460 HydrophobicContact CB-CG2 4.03Å; A452-T460 WeakPolarHBondContact O-CA 3.25Å; A452-T460 VanDerWaalsContact O-CB 3.31Å; A452-T460 WeakPolarHBondContact O-CB 3.38Å; A452-T460 WeakPolarHBondContact O-CG2 3.48Å; A452-T460 PolarHBondContact O-OG1 3.14Å; A452-Q463 HydrophobicContact CB-CB 4.04Å; A452-M464 HydrophobicContact CB-CG 3.78Å; A452-M464 HydrophobicContact CB-SD 3.67Å
453	D	91.8	Very high	94.5	Very high	116 Å²	116	36 Å²	36	62%	0.62	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-66.4	-30.9	174.6	166.3	79.1	0	0	0	112.8	K394 G451 A455	K394-D453 IonicContact NZ-OD2 2.64Å; K394-D453 PolarHBondContact NZ-OD2 2.92Å; G451-D453 PolarHBondContact O-N 3.18Å; D453-A455 VanDerWaalsContact C-N 3.28Å; D453-A455 PolarHBondContact O-N 2.72Å
454	G	91.1	Very high	94.4	Very high	11 Å²	11	37.5 Å²	37.5	11%	0.113	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-83.7	1	-178.5	0	0	0	0	0	115.2	W389 Y404 G451 A452	W389-G454 VanDerWaalsContact CH2-CA 3.45Å; Y404-G454 WeakPolarHBondContact CE2-O 3.43Å; Y404-G454 WeakPolarHBondContact OH-CA 3.42Å; Y404-G454 PolarHBondContact OH-O 3.44Å; G451-G454 PolarHBondContact O-N 2.75Å; A452-G454 VanDerWaalsContact C-N 3.32Å
455	A	89.5	Confident	94.4	Very high	14 Å²	14	43.4 Å²	43.4	12%	0.116	26%	0.258	C	S	.	.			trans	-65.8	139	-166	0	0	0	0	0	113	Y404 A452 D453 G457 K459	Y404-A455 HydrophobicContact CE1-CB 4.31Å; Y404-A455 PolarHBondContact OH-N 2.87Å; A452-A455 WeakPolarHBondContact O-CB 3.32Å; D453-A455 VanDerWaalsContact C-N 3.28Å; D453-A455 PolarHBondContact O-N 2.72Å; A455-G457 PolarHBondContact O-N 3.26Å; A455-K459 HydrophobicContact CB-CB 3.96Å
456	P	83.9	Confident	94.4	Very high	81 Å²	81	44.4 Å²	44.4	53%	0.526	26%	0.263	S	S	.	.	S	Bend	trans	-74.4	110.1	176	28.4	-32.9	0	0	0	111.1	Y404	Y404-P456 HydrophobicContact CD1-CG 4.44Å; Y404-P456 HydrophobicContact CD2-CG 4.28Å; Y404-P456 HydrophobicContact CG-CG 4.02Å
457	G	83.1	Confident	94.4	Very high	58 Å²	58	44.4 Å²	44.4	60%	0.598	26%	0.263	S	S	*	.	S	Bend	trans	85.4	-178	-175.8	0	0	0	0	0	112.6	A455 K459	A455-G457 PolarHBondContact O-N 3.26Å; G457-K459 PolarHBondContact O-N 2.84Å
458	D	84.9	Confident	94.4	Very high	167 Å²	167	45.3 Å²	45.3	89%	0.893	27%	0.271	S	S	*	.	S	Bend	trans	-74.1	75.4	-179.8	-168.1	8.9	0	0	0	111.1
459	K	92.7	Very high	94.4	Very high	66 Å²	66	46.6 Å²	46.6	29%	0.287	28%	0.277	S	S	.	.			trans	-122.2	-6.8	-177.8	-79.5	-165.7	170.4	-159.1	0	113.6	A455 G457 G461 H462 Q463	A455-K459 HydrophobicContact CB-CB 3.96Å; G457-K459 PolarHBondContact O-N 2.84Å; K459-G461 PolarHBondContact O-N 2.83Å; K459-H462 WeakPolarHBondContact O-CB 3.47Å; K459-H462 PolarHBondContact O-N 2.69Å; K459-Q463 PolarHBondContact O-N 2.93Å
460	T	93.4	Very high	94.4	Very high	57 Å²	57	46.5 Å²	46.5	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-54.9	-48	-177	-55.5	0	0	0	0	112.2	A452 H462 Q463 M464	A452-T460 HydrophobicContact CB-CG2 4.03Å; A452-T460 WeakPolarHBondContact O-CA 3.25Å; A452-T460 VanDerWaalsContact O-CB 3.31Å; A452-T460 WeakPolarHBondContact O-CB 3.38Å; A452-T460 WeakPolarHBondContact O-CG2 3.48Å; A452-T460 PolarHBondContact O-OG1 3.14Å; T460-H462 PolarHBondContact O-N 3.41Å; T460-Q463 PolarHBondContact O-N 2.85Å; T460-M464 WeakPolarHBondContact O-CG 3.38Å; T460-M464 PolarHBondContact O-N 3.19Å
461	G	95.3	Very high	94.4	Very high	51 Å²	51	45.6 Å²	45.6	53%	0.526	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-41.3	178.5	0	0	0	0	0	113.4	K459 M464 E465	K459-G461 PolarHBondContact O-N 2.83Å; G461-M464 PolarHBondContact O-N 3.38Å; G461-E465 PolarHBondContact O-N 3.39Å
462	H	96.1	Very high	94.4	Very high	85 Å²	85	49 Å²	49	39%	0.394	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-42.5	177.1	177.8	87	0	0	0	112.1	E411 K459 T460 E465 Q466	E411-H462 IonicContact OE1-CD2 2.63Å; E411-H462 IonicContact OE1-CE1 3.28Å; E411-H462 IonicContact OE1-NE2 3.89Å; E411-H462 PolarHBondContact OE1-NE2 3.44Å; K459-H462 WeakPolarHBondContact O-CB 3.47Å; K459-H462 PolarHBondContact O-N 2.69Å; T460-H462 PolarHBondContact O-N 3.41Å; H462-E465 PolarHBondContact O-N 2.98Å; H462-Q466 PolarHBondContact NE2-NE2 3.16Å; H462-Q466 VanDerWaalsContact NE2-NE2 3.18Å; H462-Q466 WeakPolarHBondContact O-CG 3.39Å; H462-Q466 PolarHBondContact O-N 2.74Å
463	Q	97.3	Very high	94.5	Very high	10 Å²	10	49 Å²	49	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-68	-37.9	176.2	-72.8	-177.5	-5.1	0	0	111.9	I448 A452 K459 T460 Q466 A467	I448-Q463 HydrophobicContact CG2-CB 3.82Å; I448-Q463 HydrophobicContact CG2-CG 4.29Å; I448-Q463 VanDerWaalsContact CG2-O 3.26Å; I448-Q463 WeakPolarHBondContact CG2-O 3.36Å; A452-Q463 HydrophobicContact CB-CB 4.04Å; K459-Q463 PolarHBondContact O-N 2.93Å; T460-Q463 PolarHBondContact O-N 2.85Å; Q463-Q466 PolarHBondContact O-N 3.23Å; Q463-A467 WeakPolarHBondContact O-CB 3.39Å; Q463-A467 PolarHBondContact O-N 2.89Å
464	M	98.1	Very high	94.9	Very high	39 Å²	39	43.4 Å²	43.4	19%	0.192	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-36.4	172.4	-70.5	-56.4	-64.7	0	0	112.9	A449 A452 T460 G461 A468 M521 F524 T525	A449-M464 HydrophobicContact CB-CE 4.21Å; A449-M464 HydrophobicContact CB-SD 3.87Å; A452-M464 HydrophobicContact CB-CG 3.78Å; A452-M464 HydrophobicContact CB-SD 3.67Å; T460-M464 WeakPolarHBondContact O-CG 3.38Å; T460-M464 PolarHBondContact O-N 3.19Å; G461-M464 PolarHBondContact O-N 3.38Å; M464-A468 WeakPolarHBondContact O-CB 3.49Å; M464-A468 PolarHBondContact O-N 2.66Å; M464-M521 HydrophobicContact CE-CE 4.01Å; M464-M521 HydrophobicContact CE-SD 4.42Å; M464-F524 HydrophobicContact CE-CB 3.73Å; M464-T525 HydrophobicContact CE-CG2 3.59Å
465	E	97.9	Very high	95.2	Very high	124 Å²	124	44 Å²	44	58%	0.579	25%	0.254	S	S	*	.	H	α-helix	trans	-64.1	-46.1	171.7	-171.9	-179.1	167.1	0	0	111.2	G461 H462 A467 A468 E469	G461-E465 PolarHBondContact O-N 3.39Å; H462-E465 PolarHBondContact O-N 2.98Å; E465-A467 PolarHBondContact O-N 2.86Å; E465-A468 PolarHBondContact O-N 2.97Å; E465-E469 HydrophobicContact CG-CG 4.43Å; E465-E469 VanDerWaalsContact O-CB 3.32Å; E465-E469 WeakPolarHBondContact O-CB 3.29Å; E465-E469 WeakPolarHBondContact O-CG 3.49Å; E465-E469 PolarHBondContact O-N 2.79Å
466	Q	98.1	Very high	95.7	Very high	22 Å²	22	46 Å²	46	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-43.8	175.9	-73.6	178.8	-39	0	0	112.4	E411 I448 H462 Q463 E469 I470	E411-Q466 PolarHBondContact OE1-NE2 3.13Å; I448-Q466 HydrophobicContact CG2-CB 4.42Å; H462-Q466 PolarHBondContact NE2-NE2 3.16Å; H462-Q466 VanDerWaalsContact NE2-NE2 3.18Å; H462-Q466 WeakPolarHBondContact O-CG 3.39Å; H462-Q466 PolarHBondContact O-N 2.74Å; Q463-Q466 PolarHBondContact O-N 3.23Å; Q466-E469 PolarHBondContact O-N 2.76Å; Q466-I470 WeakPolarHBondContact O-CD1 3.36Å; Q466-I470 VanDerWaalsContact O-CG1 3.31Å; Q466-I470 WeakPolarHBondContact O-CG1 3.46Å; Q466-I470 PolarHBondContact O-N 2.79Å
467	A	98.7	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-45.4	176.6	0	0	0	0	0	112.1	G445 I448 A449 Q463 E465 E469 I470 A471 M521	G445-A467 VanDerWaalsContact O-CB 3.26Å; G445-A467 WeakPolarHBondContact O-CB 3.44Å; I448-A467 HydrophobicContact CB-CB 4.25Å; I448-A467 HydrophobicContact CG2-CB 4.2Å; A449-A467 HydrophobicContact CB-CB 3.87Å; Q463-A467 WeakPolarHBondContact O-CB 3.39Å; Q463-A467 PolarHBondContact O-N 2.89Å; E465-A467 PolarHBondContact O-N 2.86Å; A467-E469 VanDerWaalsContact C-N 3.35Å; A467-E469 PolarHBondContact O-N 3.34Å; A467-I470 PolarHBondContact O-N 3.04Å; A467-A471 WeakPolarHBondContact O-CB 3.33Å; A467-A471 PolarHBondContact O-N 3.35Å; A467-M521 HydrophobicContact CB-CE 4.45Å; A467-M521 HydrophobicContact CB-SD 3.63Å
468	A	98.9	Very high	97.1	Very high	25 Å²	25	39.8 Å²	39.8	21%	0.207	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-38.2	176.4	0	0	0	0	0	112.7	M464 E465 A471 R472 M521	M464-A468 WeakPolarHBondContact O-CB 3.49Å; M464-A468 PolarHBondContact O-N 2.66Å; E465-A468 PolarHBondContact O-N 2.97Å; A468-A471 PolarHBondContact O-N 2.9Å; A468-R472 WeakPolarHBondContact O-CB 3.42Å; A468-R472 PolarHBondContact O-N 2.93Å; A468-M521 HydrophobicContact CB-CE 3.84Å
469	E	98.8	Very high	97.8	Very high	29 Å²	29	33.1 Å²	33.1	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-68.6	-39.2	176.8	-81.2	-75.8	89.6	0	0	112.8	K417 T423 E465 Q466 A467 R472 T473	K417-E469 VanDerWaalsContact CE-OE2 3.23Å; K417-E469 WeakPolarHBondContact CE-OE2 3.3Å; K417-E469 IonicContact NZ-OE2 3.77Å; K417-E469 PolarHBondContact NZ-OE2 3.3Å; T423-E469 PolarHBondContact OG1-OE2 3.32Å; E465-E469 HydrophobicContact CG-CG 4.43Å; E465-E469 VanDerWaalsContact O-CB 3.32Å; E465-E469 WeakPolarHBondContact O-CB 3.29Å; E465-E469 WeakPolarHBondContact O-CG 3.49Å; E465-E469 PolarHBondContact O-N 2.79Å; Q466-E469 PolarHBondContact O-N 2.76Å; A467-E469 VanDerWaalsContact C-N 3.35Å; A467-E469 PolarHBondContact O-N 3.34Å; E469-R472 PolarHBondContact O-N 3.39Å; E469-R472 IonicContact OE1-CZ 3.15Å; E469-R472 IonicContact OE1-NE 2.69Å; E469-R472 PolarHBondContact OE1-NE 3.19Å; E469-R472 IonicContact OE1-NH2 3.79Å; E469-R472 PolarHBondContact OE1-NH2 2.74Å; E469-R472 IonicContact OE2-NH2 3.16Å; E469-R472 PolarHBondContact OE2-NH2 3.42Å; E469-T473 PolarHBondContact O-N 3.4Å; E469-T473 PolarHBondContact O-OG1 3.29Å
470	I	98.9	Very high	98	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-46.3	172.4	-71	162.6	0	0	0	110.1	M415 I425 M437 I448 Q466 A467 R472 T473 C474	M415-I470 HydrophobicContact CE-CD1 4.17Å; I425-I470 HydrophobicContact CD1-CD1 4.14Å; I425-I470 HydrophobicContact CG1-CD1 4.47Å; M437-I470 HydrophobicContact CE-CG2 4.22Å; I448-I470 HydrophobicContact CD1-CD1 3.74Å; Q466-I470 WeakPolarHBondContact O-CD1 3.36Å; Q466-I470 VanDerWaalsContact O-CG1 3.31Å; Q466-I470 WeakPolarHBondContact O-CG1 3.46Å; Q466-I470 PolarHBondContact O-N 2.79Å; A467-I470 PolarHBondContact O-N 3.04Å; I470-R472 VanDerWaalsContact C-N 3.28Å; I470-R472 PolarHBondContact O-N 3.37Å; I470-T473 PolarHBondContact O-N 2.91Å; I470-T473 VanDerWaalsContact O-N 3.14Å; I470-C474 PolarHBondContact O-N 3.16Å; I470-C474 PolarHBondContact O-SG 3.39Å; I470-C474 VanDerWaalsContact O-SG 3.37Å
471	A	98.9	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-40.6	176.5	0	0	0	0	0	112	A467 A468 C474 H475 T517 M521 Y530	A467-A471 WeakPolarHBondContact O-CB 3.33Å; A467-A471 PolarHBondContact O-N 3.35Å; A468-A471 PolarHBondContact O-N 2.9Å; A471-C474 PolarHBondContact O-N 2.81Å; A471-H475 PolarHBondContact O-N 2.81Å; A471-T517 HydrophobicContact CB-CG2 3.53Å; A471-M521 HydrophobicContact CB-CG 4.21Å; A471-Y530 HydrophobicContact CB-CE1 3.91Å
472	R	98.9	Very high	98.4	Very high	72 Å²	72	31.8 Å²	31.8	27%	0.272	16%	0.16	S	C	.	.	H	α-helix	trans	-63.8	-44.2	174.3	-175.7	175.4	66.6	88.2	-0.4	112.3	G421 A468 E469 I470 C474 H475 E476 W533	G421-R472 PolarHBondContact O-NH2 3Å; A468-R472 WeakPolarHBondContact O-CB 3.42Å; A468-R472 PolarHBondContact O-N 2.93Å; E469-R472 PolarHBondContact O-N 3.39Å; E469-R472 IonicContact OE1-CZ 3.15Å; E469-R472 IonicContact OE1-NE 2.69Å; E469-R472 PolarHBondContact OE1-NE 3.19Å; E469-R472 IonicContact OE1-NH2 3.79Å; E469-R472 PolarHBondContact OE1-NH2 2.74Å; E469-R472 IonicContact OE2-NH2 3.16Å; E469-R472 PolarHBondContact OE2-NH2 3.42Å; I470-R472 VanDerWaalsContact C-N 3.28Å; I470-R472 PolarHBondContact O-N 3.37Å; R472-C474 VanDerWaalsContact C-N 3.28Å; R472-C474 PolarHBondContact O-N 3.28Å; R472-H475 PolarHBondContact O-N 2.84Å; R472-E476 WeakPolarHBondContact O-CB 3.24Å; R472-E476 VanDerWaalsContact O-CG 3.28Å; R472-E476 WeakPolarHBondContact O-CG 3.22Å; R472-E476 PolarHBondContact O-N 3.34Å; R472-W533 HydrophobicContact CB-CH2 4.35Å
473	T	98.9	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-35.5	175.9	-63.7	0	0	0	0	112.6	L422 T423 M437 E469 I470 S477 F490 F492	L422-T473 HydrophobicContact CB-CG2 4.32Å; T423-T473 PolarHBondContact N-OG1 3.33Å; T423-T473 VanDerWaalsContact O-CB 3.28Å; T423-T473 WeakPolarHBondContact O-CB 3.21Å; T423-T473 PolarHBondContact O-OG1 3.46Å; M437-T473 HydrophobicContact SD-CG2 4.47Å; E469-T473 PolarHBondContact O-N 3.4Å; E469-T473 PolarHBondContact O-OG1 3.29Å; I470-T473 PolarHBondContact O-N 2.91Å; I470-T473 VanDerWaalsContact O-N 3.14Å; T473-S477 PolarHBondContact O-N 3.05Å; T473-S477 VanDerWaalsContact O-N 3.12Å; T473-F490 HydrophobicContact CG2-CE2 4.26Å; T473-F492 HydrophobicContact CG2-CE1 4.09Å; T473-F492 HydrophobicContact CG2-CZ 3.6Å
474	C	98.9	Very high	98.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-74.4	-35.6	175.7	-67.4	0	0	0	0	112.9	C442 I470 A471 R472 S477 Y478 V514	C442-C474 VanDerWaalsContact CA-SG 3.51Å; C442-C474 HydrophobicContact CB-CB 3.84Å; C442-C474 WeakPolarHBondContact CB-SG 3.34Å; C442-C474 WeakPolarHBondContact SG-CB 3.45Å; C442-C474 CovalentContact SG-SG 2.03Å; C442-C474 PolarHBondContact SG-SG 3.16Å; I470-C474 PolarHBondContact O-N 3.16Å; I470-C474 PolarHBondContact O-SG 3.39Å; I470-C474 VanDerWaalsContact O-SG 3.37Å; A471-C474 PolarHBondContact O-N 2.81Å; R472-C474 VanDerWaalsContact C-N 3.28Å; R472-C474 PolarHBondContact O-N 3.28Å; C474-S477 PolarHBondContact O-N 3.41Å; C474-S477 PolarHBondContact O-OG 3.4Å; C474-Y478 PolarHBondContact O-N 3.48Å; C474-V514 HydrophobicContact CB-CG1 4.22Å; C474-V514 HydrophobicContact CB-CG2 3.98Å
475	H	98.8	Very high	98.6	Very high	23 Å²	23	30.4 Å²	30.4	11%	0.106	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-44.3	168.6	-179.8	-107.1	0	0	0	111.9	A471 R472 S477 Y478 A479 Y518 W533 E536	A471-H475 PolarHBondContact O-N 2.81Å; R472-H475 PolarHBondContact O-N 2.84Å; H475-S477 VanDerWaalsContact C-N 3.26Å; H475-S477 PolarHBondContact O-N 2.84Å; H475-Y478 WeakPolarHBondContact O-CB 3.25Å; H475-Y478 PolarHBondContact O-N 3.01Å; H475-A479 WeakPolarHBondContact O-CB 3.42Å; H475-A479 PolarHBondContact O-N 3.38Å; H475-Y518 WeakPolarHBondContact CA-OH 3.5Å; H475-Y518 VanDerWaalsContact CB-OH 3.3Å; H475-Y518 WeakPolarHBondContact CB-OH 3.15Å; H475-Y518 PolarHBondContact CD2-OH 2.81Å; H475-W533 HydrophobicContact CB-CD2 3.96Å; H475-W533 HydrophobicContact CB-CE3 3.79Å; H475-W533 HydrophobicContact CB-CH2 4.29Å; H475-W533 HydrophobicContact CB-CZ2 4.45Å; H475-W533 HydrophobicContact CB-CZ3 3.96Å; H475-W533 AromaticContact CD2-CD1 3.55Å; H475-W533 AromaticContact CD2-CD2 3.65Å; H475-W533 AromaticContact CD2-CG 3.35Å; H475-W533 AromaticContact CD2-NE1 3.95Å; H475-W533 AromaticContact CE1-CD1 3.63Å; H475-W533 AromaticContact CE1-CE2 3.93Å; H475-W533 AromaticContact CE1-NE1 3.48Å; H475-W533 PolarHBondContact CE1-NE1 3.12Å; H475-W533 AromaticContact CG-CD2 3.59Å; H475-W533 AromaticContact CG-CE2 3.71Å; H475-W533 AromaticContact CG-CE3 3.98Å; H475-W533 AromaticContact CG-CG 3.82Å; H475-W533 AromaticContact CG-NE1 3.97Å; H475-W533 AromaticContact ND1-CE2 3.68Å; H475-W533 AromaticContact ND1-NE1 3.72Å; H475-W533 AromaticContact NE2-CD1 3.28Å; H475-W533 VanDerWaalsContact NE2-CD1 3.28Å; H475-W533 AromaticContact NE2-CG 3.6Å; H475-W533 AromaticContact NE2-NE1 3.64Å; H475-E536 IonicContact CD2-OE2 2.72Å; H475-E536 IonicContact CE1-OE2 2.71Å; H475-E536 IonicContact NE2-OE2 3.89Å; H475-E536 PolarHBondContact NE2-OE2 3.41Å
476	E	98.8	Very high	98.6	Very high	56 Å²	56	24.5 Å²	24.5	26%	0.262	12%	0.124	S	C	.	.	H	α-helix	trans	-60.6	-34.1	176.8	-74.9	-87.4	-169.7	0	0	112.4	L422 R472 Y478 A479 R480 A498	L422-E476 HydrophobicContact CD1-CB 4.48Å; L422-E476 HydrophobicContact CD2-CB 4.19Å; L422-E476 HydrophobicContact CD2-CG 3.82Å; R472-E476 WeakPolarHBondContact O-CB 3.24Å; R472-E476 VanDerWaalsContact O-CG 3.28Å; R472-E476 WeakPolarHBondContact O-CG 3.22Å; R472-E476 PolarHBondContact O-N 3.34Å; E476-Y478 VanDerWaalsContact C-N 3.33Å; E476-Y478 PolarHBondContact O-N 3.49Å; E476-A479 PolarHBondContact O-N 2.67Å; E476-R480 VanDerWaalsContact CD-NH2 3.34Å; E476-R480 VanDerWaalsContact O-CB 3.32Å; E476-R480 WeakPolarHBondContact O-CB 3.18Å; E476-R480 VanDerWaalsContact O-CD 3.31Å; E476-R480 WeakPolarHBondContact O-CD 3.48Å; E476-R480 WeakPolarHBondContact O-CG 3.31Å; E476-R480 PolarHBondContact O-N 2.82Å; E476-R480 IonicContact OE1-NH2 3.15Å; E476-R480 IonicContact OE2-CZ 2.82Å; E476-R480 IonicContact OE2-NE 2.68Å; E476-R480 PolarHBondContact OE2-NE 2.75Å; E476-R480 IonicContact OE2-NH2 3.84Å; E476-R480 PolarHBondContact OE2-NH2 3.2Å; E476-A498 HydrophobicContact CB-CB 4.37Å
477	S	98.8	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.9	-25.3	175.6	86.5	0	0	0	0	113.7	T473 C474 H475 T481 P487 F490 A498	T473-S477 PolarHBondContact O-N 3.05Å; T473-S477 VanDerWaalsContact O-N 3.12Å; C474-S477 PolarHBondContact O-N 3.41Å; C474-S477 PolarHBondContact O-OG 3.4Å; H475-S477 VanDerWaalsContact C-N 3.26Å; H475-S477 PolarHBondContact O-N 2.84Å; S477-T481 VanDerWaalsContact O-CG2 3.23Å; S477-T481 WeakPolarHBondContact O-CG2 3.33Å; S477-P487 WeakPolarHBondContact O-CD 3.45Å; S477-F490 WeakPolarHBondContact OG-CE1 3.32Å; S477-A498 WeakPolarHBondContact CA-O 3.4Å
478	Y	98.8	Very high	98.6	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.035	13%	0.125	C	C	.	.	H	α-helix	trans	-76.6	-51.5	166.5	-85.9	-129.2	0	0	0	110.9	H439 C474 H475 E476 R480 T481 K484 L485 G486 V514 A537	H439-Y478 PolarHBondContact CE1-OH 3.45Å; H439-Y478 AromaticContact NE2-CE2 3.39Å; H439-Y478 WeakPolarHBondContact NE2-CE2 3.38Å; H439-Y478 AromaticContact NE2-CZ 3.63Å; H439-Y478 PolarHBondContact NE2-OH 3.36Å; H439-Y478 VanDerWaalsContact NE2-OH 3.1Å; C474-Y478 PolarHBondContact O-N 3.48Å; H475-Y478 WeakPolarHBondContact O-CB 3.25Å; H475-Y478 PolarHBondContact O-N 3.01Å; E476-Y478 VanDerWaalsContact C-N 3.33Å; E476-Y478 PolarHBondContact O-N 3.49Å; Y478-R480 VanDerWaalsContact C-N 3.26Å; Y478-R480 PolarHBondContact O-N 2.81Å; Y478-T481 PolarHBondContact O-N 2.68Å; Y478-T481 VanDerWaalsContact O-N 3.11Å; Y478-T481 PolarHBondContact O-OG1 3.1Å; Y478-K484 WeakPolarHBondContact CD1-O 3.13Å; Y478-L485 HydrophobicContact CE1-CD2 4.26Å; Y478-G486 VanDerWaalsContact CE2-N 3.26Å; Y478-V514 HydrophobicContact CD2-CG1 4.21Å; Y478-V514 HydrophobicContact CD2-CG2 4.26Å; Y478-V514 HydrophobicContact CE2-CB 3.8Å; Y478-V514 HydrophobicContact CE2-CG1 3.87Å; Y478-V514 HydrophobicContact CE2-CG2 3.53Å; Y478-A537 HydrophobicContact CE1-CB 4.2Å
479	A	98.5	Very high	98.6	Very high	26 Å²	26	23.7 Å²	23.7	22%	0.215	12%	0.117	C	C	.	.	H	α-helix	trans	-63.2	-29	-170.9	0	0	0	0	0	113.4	H475 E476 T481 K484	H475-A479 WeakPolarHBondContact O-CB 3.42Å; H475-A479 PolarHBondContact O-N 3.38Å; E476-A479 PolarHBondContact O-N 2.67Å; A479-T481 VanDerWaalsContact C-N 3.27Å; A479-T481 PolarHBondContact O-N 3.32Å; A479-K484 PolarHBondContact O-NZ 3.34Å
480	R	98.3	Very high	98.6	Very high	85 Å²	85	22.3 Å²	22.3	32%	0.321	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	2.3	178.1	-68	167.6	-169.7	-147.2	-4.9	114.6	E476 Y478 E497 I499	E476-R480 VanDerWaalsContact CD-NH2 3.34Å; E476-R480 VanDerWaalsContact O-CB 3.32Å; E476-R480 WeakPolarHBondContact O-CB 3.18Å; E476-R480 VanDerWaalsContact O-CD 3.31Å; E476-R480 WeakPolarHBondContact O-CD 3.48Å; E476-R480 WeakPolarHBondContact O-CG 3.31Å; E476-R480 PolarHBondContact O-N 2.82Å; E476-R480 IonicContact OE1-NH2 3.15Å; E476-R480 IonicContact OE2-CZ 2.82Å; E476-R480 IonicContact OE2-NE 2.68Å; E476-R480 PolarHBondContact OE2-NE 2.75Å; E476-R480 IonicContact OE2-NH2 3.84Å; E476-R480 PolarHBondContact OE2-NH2 3.2Å; Y478-R480 VanDerWaalsContact C-N 3.26Å; Y478-R480 PolarHBondContact O-N 2.81Å; R480-E497 PolarHBondContact NH1-O 3.32Å; R480-I499 HydrophobicContact CB-CG2 3.63Å
481	T	98.5	Very high	98.6	Very high	9 Å²	9	23 Å²	23	6%	0.055	11%	0.113	C	C	.	.	S	Bend	trans	-100.2	162.3	-179.6	71.4	0	0	0	0	112.4	S477 Y478 A479 K484 L485 V557 Y558	S477-T481 VanDerWaalsContact O-CG2 3.23Å; S477-T481 WeakPolarHBondContact O-CG2 3.33Å; Y478-T481 PolarHBondContact O-N 2.68Å; Y478-T481 VanDerWaalsContact O-N 3.11Å; Y478-T481 PolarHBondContact O-OG1 3.1Å; A479-T481 VanDerWaalsContact C-N 3.27Å; A479-T481 PolarHBondContact O-N 3.32Å; T481-K484 VanDerWaalsContact OG1-CA 3.28Å; T481-K484 WeakPolarHBondContact OG1-CA 3.41Å; T481-K484 PolarHBondContact OG1-N 2.93Å; T481-L485 WeakPolarHBondContact CG2-O 3.4Å; T481-L485 PolarHBondContact OG1-N 2.89Å; T481-L485 VanDerWaalsContact OG1-N 3.14Å; T481-L485 PolarHBondContact OG1-O 2.03Å; T481-V557 WeakPolarHBondContact CB-O 3.46Å; T481-V557 HydrophobicContact CG2-CB 4.23Å; T481-V557 HydrophobicContact CG2-CG2 3.58Å; T481-Y558 HydrophobicContact CG2-CD1 4.47Å; T481-Y558 HydrophobicContact CG2-CE1 3.79Å
482	A	98.1	Very high	98.5	Very high	53 Å²	53	23.9 Å²	23.9	44%	0.438	12%	0.117	S	C	.	.	S	Bend	trans	-74.5	-35.3	177.5	0	0	0	0	0	111.9	V557	A482-V557 PolarHBondContact N-O 2.74Å
483	L	98.1	Very high	98.3	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	-90	-5.1	-178.9	-55.3	-171.7	0	0	0	114	L485 A540 H544 V554 V557 A559 P562	L483-L485 VanDerWaalsContact C-N 3.29Å; L483-L485 PolarHBondContact O-N 3.37Å; L483-A540 WeakPolarHBondContact O-CB 3.39Å; L483-H544 HydrophobicContact CB-CB 4.38Å; L483-H544 HydrophobicContact CD1-CB 4.47Å; L483-H544 HydrophobicContact CD2-CB 4.5Å; L483-H544 PolarHBondContact O-CD2 3.49Å; L483-H544 VanDerWaalsContact O-CD2 3.25Å; L483-V554 HydrophobicContact CD1-CB 4.31Å; L483-V554 HydrophobicContact CD1-CG1 4.46Å; L483-V554 HydrophobicContact CD1-CG2 4.04Å; L483-V557 PolarHBondContact N-O 3.47Å; L483-V557 VanDerWaalsContact N-O 3.08Å; L483-A559 VanDerWaalsContact CD2-O 3.29Å; L483-A559 WeakPolarHBondContact CD2-O 3.34Å; L483-P562 HydrophobicContact CD1-CB 4.24Å
484	K	98.4	Very high	97.9	Very high	101 Å²	101	27 Å²	27	44%	0.439	16%	0.159	S	C	.	.	S	Bend	trans	59	36.2	-173.9	-57.3	-64.6	-178	171.1	0	113.7	Y478 A479 T481 A540	Y478-K484 WeakPolarHBondContact CD1-O 3.13Å; A479-K484 PolarHBondContact O-NZ 3.34Å; T481-K484 VanDerWaalsContact OG1-CA 3.28Å; T481-K484 WeakPolarHBondContact OG1-CA 3.41Å; T481-K484 PolarHBondContact OG1-N 2.93Å; K484-A540 HydrophobicContact CB-CB 3.97Å; K484-A540 WeakPolarHBondContact O-CB 3.46Å
485	L	98.6	Very high	97.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	20%	0.202	C	C	.	.			trans	-131.2	133.5	176.1	-63.1	170.1	0	0	0	108.1	Y478 T481 L483 F508 A540 L541 H544 V554 V557	Y478-L485 HydrophobicContact CE1-CD2 4.26Å; T481-L485 WeakPolarHBondContact CG2-O 3.4Å; T481-L485 PolarHBondContact OG1-N 2.89Å; T481-L485 VanDerWaalsContact OG1-N 3.14Å; T481-L485 PolarHBondContact OG1-O 2.03Å; L483-L485 VanDerWaalsContact C-N 3.29Å; L483-L485 PolarHBondContact O-N 3.37Å; L485-F508 HydrophobicContact CB-CB 4.39Å; L485-F508 HydrophobicContact CB-CD1 4.01Å; L485-F508 HydrophobicContact CB-CD2 4.44Å; L485-F508 HydrophobicContact CB-CE1 4.38Å; L485-F508 HydrophobicContact CB-CG 4.02Å; L485-F508 HydrophobicContact CD1-CD1 3.79Å; L485-F508 HydrophobicContact CD1-CE1 3.99Å; L485-F508 HydrophobicContact CD2-CD1 4.32Å; L485-F508 HydrophobicContact CD2-CE1 3.88Å; L485-F508 HydrophobicContact CD2-CZ 4.14Å; L485-F508 HydrophobicContact CG-CD1 4.25Å; L485-F508 HydrophobicContact CG-CE1 4.3Å; L485-A540 HydrophobicContact CD2-CB 3.64Å; L485-A540 HydrophobicContact CG-CB 3.9Å; L485-L541 HydrophobicContact CD2-CD2 4.3Å; L485-L541 HydrophobicContact CD2-CG 4.26Å; L485-H544 HydrophobicContact CD1-CB 4.36Å; L485-V554 HydrophobicContact CD1-CG2 4.46Å; L485-V557 HydrophobicContact CB-CG1 4.19Å; L485-V557 VanDerWaalsContact O-CB 3.31Å; L485-V557 WeakPolarHBondContact O-CB 3.15Å; L485-V557 WeakPolarHBondContact O-CG1 3.44Å
486	G	98.4	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.207	C	C	.	.			trans	-70.4	145.8	-174.9	0	0	0	0	0	113.4	Y478 F508	Y478-G486 VanDerWaalsContact CE2-N 3.26Å; G486-F508 WeakPolarHBondContact O-CB 3.34Å; G486-F508 WeakPolarHBondContact O-CD2 3.13Å
487	P	98.7	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.201	C	C	.	.			trans	-76.3	153.2	173.3	34.6	-37	0	0	0	111.7	S477 A489 F490 A500 E505 Y507 V557 Y558	S477-P487 WeakPolarHBondContact O-CD 3.45Å; P487-A489 PolarHBondContact O-N 3.37Å; P487-F490 HydrophobicContact CG-CB 4.17Å; P487-F490 HydrophobicContact CG-CD1 4.26Å; P487-A500 HydrophobicContact CB-CB 3.72Å; P487-A500 HydrophobicContact CG-CB 3.94Å; P487-E505 WeakPolarHBondContact CB-O 3.48Å; P487-Y507 CarbonylContact C-O 3.6Å; P487-V557 HydrophobicContact CB-CG2 3.99Å; P487-Y558 HydrophobicContact CB-CE2 4.42Å
488	E	98.5	Very high	97.1	Very high	27 Å²	27	30.4 Å²	30.4	13%	0.126	20%	0.201	C	C	.	.	S	Bend	trans	-48.1	-34.9	175.4	-175	71.3	-175.5	0	0	113.3	G438 H439 E505 Y507 R511	G438-E488 CarbonylContact C-O 3.47Å; G438-E488 WeakPolarHBondContact CA-O 3.46Å; H439-E488 PolarHBondContact N-O 2.91Å; E488-E505 PolarHBondContact N-O 2.98Å; E488-Y507 HydrophobicContact CB-CD1 4.41Å; E488-Y507 HydrophobicContact CB-CD2 3.91Å; E488-Y507 HydrophobicContact CB-CE1 4.15Å; E488-Y507 HydrophobicContact CB-CE2 3.64Å; E488-Y507 HydrophobicContact CB-CG 4.32Å; E488-Y507 HydrophobicContact CG-CD2 4.39Å; E488-Y507 HydrophobicContact CG-CE1 4.18Å; E488-Y507 HydrophobicContact CG-CE2 3.62Å; E488-Y507 VanDerWaalsContact CG-CZ 3.5Å; E488-Y507 WeakPolarHBondContact CG-OH 3.47Å; E488-Y507 PolarHBondContact N-O 2.96Å; E488-Y507 WeakPolarHBondContact OE2-CE2 3.2Å; E488-R511 IonicContact OE1-CZ 2.74Å; E488-R511 IonicContact OE1-NE 3.81Å; E488-R511 PolarHBondContact OE1-NE 2.98Å; E488-R511 IonicContact OE1-NH2 2.67Å; E488-R511 PolarHBondContact OE1-NH2 2.83Å; E488-R511 IonicContact OE2-CZ 3.13Å; E488-R511 IonicContact OE2-NE 3.83Å; E488-R511 PolarHBondContact OE2-NE 3.49Å; E488-R511 IonicContact OE2-NH2 3.84Å
489	A	98.5	Very high	97.1	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.033	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	147	167.7	0	0	0	0	0	113.7	K436 M437 P487 A500 E505	K436-A489 HydrophobicContact CD-CB 4.33Å; K436-A489 HydrophobicContact CG-CB 4.22Å; M437-A489 CarbonylContact O-C 3.38Å; M437-A489 WeakPolarHBondContact O-CA 3.38Å; M437-A489 WeakPolarHBondContact O-CB 3.28Å; P487-A489 PolarHBondContact O-N 3.37Å; A489-A500 WeakPolarHBondContact O-CB 3.46Å; A489-E505 HydrophobicContact CB-CB 4.4Å; A489-E505 PolarHBondContact N-O 2.72Å
490	F	98.4	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	160.5	-176.5	45.2	-88.9	0	0	0	111.7	K436 M437 T473 S477 P487 F492 A498 I499	K436-F490 WeakPolarHBondContact CA-O 3.2Å; M437-F490 HydrophobicContact CB-CD2 4.15Å; M437-F490 HydrophobicContact CB-CE2 3.67Å; M437-F490 HydrophobicContact CB-CZ 4.09Å; M437-F490 HydrophobicContact CE-CZ 4.24Å; M437-F490 HydrophobicContact CG-CE2 3.85Å; M437-F490 HydrophobicContact CG-CZ 3.86Å; M437-F490 PolarHBondContact N-O 3.49Å; M437-F490 PolarHBondContact O-N 3.19Å; M437-F490 HydrophobicContact SD-CE2 3.81Å; M437-F490 HydrophobicContact SD-CZ 4Å; T473-F490 HydrophobicContact CG2-CE2 4.26Å; S477-F490 WeakPolarHBondContact OG-CE1 3.32Å; P487-F490 HydrophobicContact CG-CB 4.17Å; P487-F490 HydrophobicContact CG-CD1 4.26Å; F490-F492 AromaticContact CD2-CE2 3.67Å; F490-F492 HydrophobicContact CD2-CE2 3.67Å; F490-F492 AromaticContact CD2-CZ 3.65Å; F490-F492 HydrophobicContact CD2-CZ 3.65Å; F490-F492 AromaticContact CE2-CE2 3.91Å; F490-F492 HydrophobicContact CE2-CE2 3.91Å; F490-F492 AromaticContact CE2-CZ 3.79Å; F490-F492 HydrophobicContact CE2-CZ 3.79Å; F490-A498 HydrophobicContact CD2-CB 4.46Å; F490-I499 WeakPolarHBondContact CA-O 3.35Å
491	R	98.3	Very high	96.9	Very high	14 Å²	14	31 Å²	31	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160.1	-169.3	-79.8	177.1	171.1	-75.5	-16.6	114.3	E434 H435 K436 D493 V496 E497 A498 I499 T501 R502	E434-R491 IonicContact OE1-CZ 3.05Å; E434-R491 IonicContact OE1-NH2 3.27Å; E434-R491 PolarHBondContact OE1-NH2 3.14Å; H435-R491 WeakPolarHBondContact O-CA 3.47Å; K436-R491 HydrophobicContact CB-CG 4.32Å; R491-D493 WeakPolarHBondContact CD-OD1 3.15Å; R491-D493 IonicContact CZ-OD1 3.74Å; R491-D493 VanDerWaalsContact NH1-CG 3.25Å; R491-D493 IonicContact NH1-OD1 2.87Å; R491-D493 PolarHBondContact NH1-OD1 3.05Å; R491-D493 IonicContact NH1-OD2 2.84Å; R491-D493 PolarHBondContact NH1-OD2 3.14Å; R491-V496 HydrophobicContact CB-CG2 4.05Å; R491-E497 CarbonylContact O-C 3.49Å; R491-E497 WeakPolarHBondContact O-CA 3.4Å; R491-A498 PolarHBondContact O-N 2.99Å; R491-I499 PolarHBondContact N-O 3.09Å; R491-T501 WeakPolarHBondContact CD-OG1 3.41Å; R491-R502 VanDerWaalsContact NH2-NH2 3.12Å
492	F	98.1	Very high	96.8	Very high	19 Å²	19	35.5 Å²	35.5	8%	0.083	23%	0.227	C	C	.	.	S	Bend	trans	-132.5	21	175.9	-55.3	-85.6	0	0	0	111.4	L422 Y424 H435 M437 T473 F490 V496 E497 A498	L422-F492 HydrophobicContact CB-CE1 4.15Å; L422-F492 HydrophobicContact CD1-CE1 3.95Å; Y424-F492 VanDerWaalsContact CB-CE2 3.42Å; Y424-F492 HydrophobicContact CD1-CB 4.11Å; Y424-F492 AromaticContact CD1-CD1 3.67Å; Y424-F492 HydrophobicContact CD1-CD1 3.67Å; Y424-F492 AromaticContact CD1-CD2 3.73Å; Y424-F492 HydrophobicContact CD1-CD2 3.73Å; Y424-F492 AromaticContact CD1-CE1 3.99Å; Y424-F492 HydrophobicContact CD1-CE1 3.99Å; Y424-F492 HydrophobicContact CD1-CE2 4.06Å; Y424-F492 AromaticContact CD1-CG 3.53Å; Y424-F492 HydrophobicContact CD1-CG 3.53Å; Y424-F492 HydrophobicContact CD1-CZ 4.18Å; Y424-F492 HydrophobicContact CD2-CB 4.45Å; Y424-F492 AromaticContact CD2-CD2 3.47Å; Y424-F492 HydrophobicContact CD2-CD2 3.47Å; Y424-F492 VanDerWaalsContact CD2-CD2 3.47Å; Y424-F492 AromaticContact CD2-CE2 3.91Å; Y424-F492 HydrophobicContact CD2-CE2 3.91Å; Y424-F492 HydrophobicContact CD2-CG 4.02Å; Y424-F492 HydrophobicContact CE1-CB 3.64Å; Y424-F492 AromaticContact CE1-CD1 3.96Å; Y424-F492 HydrophobicContact CE1-CD1 3.96Å; Y424-F492 HydrophobicContact CE1-CD2 4.1Å; Y424-F492 AromaticContact CE1-CG 3.62Å; Y424-F492 HydrophobicContact CE1-CG 3.62Å; Y424-F492 HydrophobicContact CE2-CB 4.01Å; Y424-F492 AromaticContact CE2-CD2 3.87Å; Y424-F492 HydrophobicContact CE2-CD2 3.87Å; Y424-F492 HydrophobicContact CE2-CG 4.09Å; Y424-F492 HydrophobicContact CG-CB 4.49Å; Y424-F492 HydrophobicContact CG-CD1 4.17Å; Y424-F492 AromaticContact CG-CD2 3.4Å; Y424-F492 HydrophobicContact CG-CD2 3.4Å; Y424-F492 VanDerWaalsContact CG-CD2 3.4Å; Y424-F492 HydrophobicContact CG-CE1 4.27Å; Y424-F492 AromaticContact CG-CE2 3.54Å; Y424-F492 HydrophobicContact CG-CE2 3.54Å; Y424-F492 AromaticContact CG-CG 3.75Å; Y424-F492 HydrophobicContact CG-CG 3.75Å; Y424-F492 AromaticContact CG-CZ 3.98Å; Y424-F492 HydrophobicContact CG-CZ 3.98Å; Y424-F492 AromaticContact CZ-CG 3.9Å; H435-F492 PolarHBondContact O-N 2.94Å; M437-F492 HydrophobicContact CB-CE2 4.03Å; T473-F492 HydrophobicContact CG2-CE1 4.09Å; T473-F492 HydrophobicContact CG2-CZ 3.6Å; F490-F492 AromaticContact CD2-CE2 3.67Å; F490-F492 HydrophobicContact CD2-CE2 3.67Å; F490-F492 AromaticContact CD2-CZ 3.65Å; F490-F492 HydrophobicContact CD2-CZ 3.65Å; F490-F492 AromaticContact CE2-CE2 3.91Å; F490-F492 HydrophobicContact CE2-CE2 3.91Å; F490-F492 AromaticContact CE2-CZ 3.79Å; F490-F492 HydrophobicContact CE2-CZ 3.79Å; F492-V496 CarbonylContact C-O 3.6Å; F492-V496 WeakPolarHBondContact CA-O 3.42Å; F492-E497 HydrophobicContact CD1-CB 4.15Å; F492-E497 HydrophobicContact CD1-CG 4.33Å; F492-A498 HydrophobicContact CE1-CB 4.08Å; F492-A498 HydrophobicContact CZ-CB 4.25Å
493	D	93.4	Very high	96.7	Very high	54 Å²	54	38.5 Å²	38.5	29%	0.289	23%	0.232	S	C	.	.	S	Bend	trans	-122.1	174.3	174.3	57.1	13.9	0	0	0	111.7	H435 R491 G495 V496	H435-D493 HydrophobicContact CB-CB 4.01Å; R491-D493 WeakPolarHBondContact CD-OD1 3.15Å; R491-D493 IonicContact CZ-OD1 3.74Å; R491-D493 VanDerWaalsContact NH1-CG 3.25Å; R491-D493 IonicContact NH1-OD1 2.87Å; R491-D493 PolarHBondContact NH1-OD1 3.05Å; R491-D493 IonicContact NH1-OD2 2.84Å; R491-D493 PolarHBondContact NH1-OD2 3.14Å; D493-G495 PolarHBondContact O-N 2.76Å; D493-G495 VanDerWaalsContact O-N 3.13Å; D493-V496 VanDerWaalsContact O-CG2 3.3Å; D493-V496 WeakPolarHBondContact O-CG2 3.32Å; D493-V496 PolarHBondContact O-N 3.47Å
494	G	90.3	Very high	96.6	Very high	85 Å²	85	43.7 Å²	43.7	88%	0.876	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	14.7	175.4	0	0	0	0	0	116
495	G	91.2	Very high	96.5	Very high	86 Å²	86	39.6 Å²	39.6	89%	0.887	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	13.6	-176.8	0	0	0	0	0	114.4	D493	D493-G495 PolarHBondContact O-N 2.76Å; D493-G495 VanDerWaalsContact O-N 3.13Å
496	V	94.9	Very high	96.5	Very high	37 Å²	37	41.3 Å²	41.3	22%	0.224	25%	0.249	C	C	.	.			trans	-118.2	154.8	172.9	-57	0	0	0	0	111.5	R491 F492 D493 I499 T501	R491-V496 HydrophobicContact CB-CG2 4.05Å; F492-V496 CarbonylContact C-O 3.6Å; F492-V496 WeakPolarHBondContact CA-O 3.42Å; D493-V496 VanDerWaalsContact O-CG2 3.3Å; D493-V496 WeakPolarHBondContact O-CG2 3.32Å; D493-V496 PolarHBondContact O-N 3.47Å; V496-I499 HydrophobicContact CB-CD1 3.93Å; V496-I499 HydrophobicContact CB-CG1 3.72Å; V496-I499 HydrophobicContact CG1-CD1 3.91Å; V496-I499 HydrophobicContact CG1-CG1 4.24Å; V496-I499 HydrophobicContact CG2-CG1 4.14Å; V496-T501 HydrophobicContact CG1-CG2 4.44Å; V496-T501 HydrophobicContact CG2-CG2 3.63Å
497	E	96.4	Very high	96.5	Very high	27 Å²	27	45.1 Å²	45.1	13%	0.126	26%	0.264	C	S	.	.	S	Bend	trans	-139.2	132.6	175.5	-66.2	-169.2	-176.3	0	0	111.1	S418 S419 S420 L422 R480 R491 F492 I499	S418-E497 WeakPolarHBondContact CB-OE1 3.39Å; S418-E497 VanDerWaalsContact CB-OE2 3.25Å; S418-E497 WeakPolarHBondContact CB-OE2 3.21Å; S418-E497 PolarHBondContact OG-OE1 2.95Å; S418-E497 PolarHBondContact OG-OE2 3.21Å; S419-E497 WeakPolarHBondContact CA-OE1 3.21Å; S419-E497 WeakPolarHBondContact CB-OE1 3.3Å; S419-E497 PolarHBondContact N-OE1 3.16Å; S419-E497 PolarHBondContact OG-OE1 3.39Å; S420-E497 VanDerWaalsContact CB-OE2 3.31Å; S420-E497 WeakPolarHBondContact CB-OE2 3.47Å; S420-E497 PolarHBondContact N-OE1 2.87Å; S420-E497 VanDerWaalsContact N-OE1 3.12Å; S420-E497 PolarHBondContact N-OE2 3.29Å; S420-E497 PolarHBondContact OG-OE2 3.45Å; L422-E497 HydrophobicContact CD1-CB 4.35Å; R480-E497 PolarHBondContact NH1-O 3.32Å; R491-E497 CarbonylContact O-C 3.49Å; R491-E497 WeakPolarHBondContact O-CA 3.4Å; F492-E497 HydrophobicContact CD1-CB 4.15Å; F492-E497 HydrophobicContact CD1-CG 4.33Å; E497-I499 PolarHBondContact O-N 3.1Å
498	A	97.5	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	54.1	31.1	-179.8	0	0	0	0	0	114.9	L422 E476 S477 F490 R491 F492	L422-A498 HydrophobicContact CD1-CB 3.91Å; E476-A498 HydrophobicContact CB-CB 4.37Å; S477-A498 WeakPolarHBondContact CA-O 3.4Å; F490-A498 HydrophobicContact CD2-CB 4.46Å; R491-A498 PolarHBondContact O-N 2.99Å; F492-A498 HydrophobicContact CE1-CB 4.08Å; F492-A498 HydrophobicContact CZ-CB 4.25Å
499	I	97.6	Very high	96.6	Very high	48 Å²	48	45.4 Å²	45.4	25%	0.246	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-133.2	157	170	61.1	170.3	0	0	0	112.9	R480 F490 R491 V496 E497 Y558	R480-I499 HydrophobicContact CB-CG2 3.63Å; F490-I499 WeakPolarHBondContact CA-O 3.35Å; R491-I499 PolarHBondContact N-O 3.09Å; V496-I499 HydrophobicContact CB-CD1 3.93Å; V496-I499 HydrophobicContact CB-CG1 3.72Å; V496-I499 HydrophobicContact CG1-CD1 3.91Å; V496-I499 HydrophobicContact CG1-CG1 4.24Å; V496-I499 HydrophobicContact CG2-CG1 4.14Å; E497-I499 PolarHBondContact O-N 3.1Å; I499-Y558 VanDerWaalsContact CA-OH 3.28Å; I499-Y558 WeakPolarHBondContact CA-OH 3.47Å; I499-Y558 HydrophobicContact CB-CE1 4.14Å; I499-Y558 WeakPolarHBondContact CB-OH 3.28Å; I499-Y558 HydrophobicContact CG2-CE1 3.94Å
500	A	97.8	Very high	96.6	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	26%	0.264	C	S	.	.			trans	-88	131.8	178	0	0	0	0	0	112.2	P487 A489 E505 K506 Y558	P487-A500 HydrophobicContact CB-CB 3.72Å; P487-A500 HydrophobicContact CG-CB 3.94Å; A489-A500 WeakPolarHBondContact O-CB 3.46Å; A500-E505 HydrophobicContact CB-CB 4.5Å; A500-K506 HydrophobicContact CB-CB 4.5Å; A500-K506 HydrophobicContact CB-CG 3.84Å; A500-Y558 HydrophobicContact CB-CE2 4.04Å; A500-Y558 PolarHBondContact N-OH 2.98Å
501	T	95.2	Very high	96.6	Very high	76 Å²	76	46.8 Å²	46.8	47%	0.466	27%	0.27	S	S	.	.			trans	-101.6	-29.8	178.1	62.3	0	0	0	0	113.6	R491 V496	R491-T501 WeakPolarHBondContact CD-OG1 3.41Å; V496-T501 HydrophobicContact CG1-CG2 4.44Å; V496-T501 HydrophobicContact CG2-CG2 3.63Å
502	R	96.2	Very high	96.6	Very high	103 Å²	103	46.1 Å²	46.1	39%	0.389	27%	0.268	S	S	.	.	S	Bend	trans	-88.8	133.1	179.9	-54.9	-173.1	-177.7	132.4	-7.4	110.4	E434 R491 N504 E505	E434-R502 IonicContact OE1-CZ 2.92Å; E434-R502 IonicContact OE1-NH1 3.23Å; E434-R502 IonicContact OE1-NH2 3.01Å; E434-R502 PolarHBondContact OE1-NH2 2.69Å; R491-R502 VanDerWaalsContact NH2-NH2 3.12Å; R502-N504 WeakPolarHBondContact CB-OD1 3.44Å; R502-N504 PolarHBondContact O-N 3.01Å; R502-N504 VanDerWaalsContact O-N 3.11Å; R502-E505 HydrophobicContact CB-CB 4.28Å; R502-E505 HydrophobicContact CB-CG 4.03Å; R502-E505 WeakPolarHBondContact CB-OE2 3.38Å; R502-E505 WeakPolarHBondContact CD-OE2 2.97Å; R502-E505 WeakPolarHBondContact CG-OE2 3.45Å; R502-E505 IonicContact CZ-OE1 3.99Å; R502-E505 IonicContact NE-OE2 2.69Å; R502-E505 IonicContact NH1-OE1 3.9Å; R502-E505 PolarHBondContact NH1-OE1 3.19Å; R502-E505 IonicContact NH1-OE2 3.82Å; R502-E505 PolarHBondContact O-N 2.9Å
503	Q	95.7	Very high	96.6	Very high	116 Å²	116	45.9 Å²	45.9	54%	0.542	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-59.1	-29.1	-175.9	-169.4	60.5	41.5	0	0	113.7	E505 D556	Q503-E505 VanDerWaalsContact C-N 3.33Å; Q503-D556 PolarHBondContact NE2-OD2 2.88Å
504	N	96.3	Very high	96.9	Very high	112 Å²	112	43.3 Å²	43.3	60%	0.599	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-85.9	3.9	177.1	69.9	-61.7	0	0	0	114.3	R502 Y507	R502-N504 WeakPolarHBondContact CB-OD1 3.44Å; R502-N504 PolarHBondContact O-N 3.01Å; R502-N504 VanDerWaalsContact O-N 3.11Å; N504-Y507 VanDerWaalsContact O-CE1 3.26Å; N504-Y507 WeakPolarHBondContact O-CE1 3.04Å
505	E	97.4	Very high	97.3	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.065	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-111.7	-3	175.5	-64.8	177.8	156.6	0	0	111.8	K436 P487 E488 A489 A500 R502 Q503	K436-E505 WeakPolarHBondContact CE-OE1 3.45Å; K436-E505 IonicContact NZ-OE1 3.6Å; K436-E505 PolarHBondContact NZ-OE1 3.39Å; P487-E505 WeakPolarHBondContact CB-O 3.48Å; E488-E505 PolarHBondContact N-O 2.98Å; A489-E505 HydrophobicContact CB-CB 4.4Å; A489-E505 PolarHBondContact N-O 2.72Å; A500-E505 HydrophobicContact CB-CB 4.5Å; R502-E505 HydrophobicContact CB-CB 4.28Å; R502-E505 HydrophobicContact CB-CG 4.03Å; R502-E505 WeakPolarHBondContact CB-OE2 3.38Å; R502-E505 WeakPolarHBondContact CD-OE2 2.97Å; R502-E505 WeakPolarHBondContact CG-OE2 3.45Å; R502-E505 IonicContact CZ-OE1 3.99Å; R502-E505 IonicContact NE-OE2 2.69Å; R502-E505 IonicContact NH1-OE1 3.9Å; R502-E505 PolarHBondContact NH1-OE1 3.19Å; R502-E505 IonicContact NH1-OE2 3.82Å; R502-E505 PolarHBondContact O-N 2.9Å; Q503-E505 VanDerWaalsContact C-N 3.33Å
506	K	98.5	Very high	97.7	Very high	37 Å²	37	35.6 Å²	35.6	16%	0.161	17%	0.171	C	C	.	.			trans	-87.9	-0.7	-174.8	-69.9	179.8	169.3	-175.7	0	116.2	A500 D556 V557 Y558	A500-K506 HydrophobicContact CB-CB 4.5Å; A500-K506 HydrophobicContact CB-CG 3.84Å; K506-D556 WeakPolarHBondContact CD-OD2 3.36Å; K506-D556 IonicContact NZ-OD1 3.8Å; K506-D556 IonicContact NZ-OD2 3.61Å; K506-D556 PolarHBondContact NZ-OD2 2.82Å; K506-D556 WeakPolarHBondContact O-CA 3.23Å; K506-V557 PolarHBondContact O-N 3.03Å; K506-Y558 HydrophobicContact CB-CD2 4.35Å; K506-Y558 HydrophobicContact CB-CE2 4.44Å; K506-Y558 HydrophobicContact CD-CD2 4.02Å; K506-Y558 HydrophobicContact CG-CD2 3.98Å; K506-Y558 HydrophobicContact CG-CE2 4.03Å
507	Y	98.6	Very high	97.9	Very high	81 Å²	81	33.8 Å²	33.8	32%	0.318	16%	0.161	S	C	.	.			trans	-81.7	161.7	-175.8	64.3	-104	0	0	0	111.7	P487 E488 N504 I509 V554	P487-Y507 CarbonylContact C-O 3.6Å; E488-Y507 HydrophobicContact CB-CD1 4.41Å; E488-Y507 HydrophobicContact CB-CD2 3.91Å; E488-Y507 HydrophobicContact CB-CE1 4.15Å; E488-Y507 HydrophobicContact CB-CE2 3.64Å; E488-Y507 HydrophobicContact CB-CG 4.32Å; E488-Y507 HydrophobicContact CG-CD2 4.39Å; E488-Y507 HydrophobicContact CG-CE1 4.18Å; E488-Y507 HydrophobicContact CG-CE2 3.62Å; E488-Y507 VanDerWaalsContact CG-CZ 3.5Å; E488-Y507 WeakPolarHBondContact CG-OH 3.47Å; E488-Y507 PolarHBondContact N-O 2.96Å; E488-Y507 WeakPolarHBondContact OE2-CE2 3.2Å; N504-Y507 VanDerWaalsContact O-CE1 3.26Å; N504-Y507 WeakPolarHBondContact O-CE1 3.04Å; Y507-I509 HydrophobicContact CD2-CG2 3.76Å; Y507-I509 HydrophobicContact CE2-CD1 4.24Å; Y507-I509 HydrophobicContact CE2-CG1 4.26Å; Y507-I509 HydrophobicContact CE2-CG2 4.02Å; Y507-V554 CarbonylContact C-O 3.59Å; Y507-V554 VanDerWaalsContact CA-O 3.25Å; Y507-V554 WeakPolarHBondContact CA-O 3.37Å; Y507-V554 WeakPolarHBondContact CB-O 3.44Å
508	F	98.8	Very high	98	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-134.5	117.4	169.7	171.3	-101.9	0	0	0	108.7	H439 L485 G486 L510 R511 L541 G553 V554 V557	H439-F508 AromaticContact NE2-CD2 3.69Å; H439-F508 AromaticContact NE2-CE2 3.55Å; L485-F508 HydrophobicContact CB-CB 4.39Å; L485-F508 HydrophobicContact CB-CD1 4.01Å; L485-F508 HydrophobicContact CB-CD2 4.44Å; L485-F508 HydrophobicContact CB-CE1 4.38Å; L485-F508 HydrophobicContact CB-CG 4.02Å; L485-F508 HydrophobicContact CD1-CD1 3.79Å; L485-F508 HydrophobicContact CD1-CE1 3.99Å; L485-F508 HydrophobicContact CD2-CD1 4.32Å; L485-F508 HydrophobicContact CD2-CE1 3.88Å; L485-F508 HydrophobicContact CD2-CZ 4.14Å; L485-F508 HydrophobicContact CG-CD1 4.25Å; L485-F508 HydrophobicContact CG-CE1 4.3Å; G486-F508 WeakPolarHBondContact O-CB 3.34Å; G486-F508 WeakPolarHBondContact O-CD2 3.13Å; F508-L510 VanDerWaalsContact CE1-CA 3.48Å; F508-L510 HydrophobicContact CE1-CD2 4.19Å; F508-R511 HydrophobicContact CE2-CB 4.19Å; F508-L541 HydrophobicContact CE1-CD2 3.87Å; F508-L541 HydrophobicContact CZ-CD2 4.27Å; F508-G553 CarbonylContact O-C 3.55Å; F508-G553 WeakPolarHBondContact O-CA 3.41Å; F508-V554 HydrophobicContact CB-CG2 3.98Å; F508-V554 HydrophobicContact CD1-CG2 4.42Å; F508-V554 PolarHBondContact N-O 2.95Å; F508-V554 PolarHBondContact O-N 3.25Å; F508-V557 HydrophobicContact CB-CG1 3.65Å
509	I	98.6	Very high	98.1	Very high	30 Å²	30	32.6 Å²	32.6	15%	0.154	16%	0.155	C	C	.	.			trans	-104	41.8	-175.9	55.8	173.2	0	0	0	112.8	Y507 R511 Q569 F571	Y507-I509 HydrophobicContact CD2-CG2 3.76Å; Y507-I509 HydrophobicContact CE2-CD1 4.24Å; Y507-I509 HydrophobicContact CE2-CG1 4.26Å; Y507-I509 HydrophobicContact CE2-CG2 4.02Å; I509-R511 VanDerWaalsContact C-N 3.32Å; I509-R511 HydrophobicContact CG1-CG 3.93Å; I509-R511 PolarHBondContact O-N 3.38Å; I509-Q569 HydrophobicContact CB-CG 4.46Å; I509-Q569 WeakPolarHBondContact O-CG 3.42Å; I509-F571 HydrophobicContact CD1-CZ 4.21Å; I509-F571 HydrophobicContact CG1-CZ 4.21Å; I509-F571 WeakPolarHBondContact O-CE2 3.14Å; I509-F571 WeakPolarHBondContact O-CZ 3.32Å
510	L	98.8	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	67.4	24.3	178.4	-50	176	0	0	0	115.2	F508 L541 C545 Y572 T576	F508-L510 VanDerWaalsContact CE1-CA 3.48Å; F508-L510 HydrophobicContact CE1-CD2 4.19Å; L510-L541 HydrophobicContact CD2-CD2 4.07Å; L510-C545 HydrophobicContact CD2-CB 3.71Å; L510-C545 VanDerWaalsContact CD2-SG 3.59Å; L510-Y572 HydrophobicContact CB-CD2 3.68Å; L510-Y572 HydrophobicContact CB-CG 4.04Å; L510-Y572 HydrophobicContact CD1-CD1 4.37Å; L510-Y572 HydrophobicContact CD1-CD2 4.23Å; L510-Y572 HydrophobicContact CD1-CG 3.94Å; L510-Y572 HydrophobicContact CD2-CD2 4.37Å; L510-Y572 HydrophobicContact CD2-CE2 4.47Å; L510-Y572 HydrophobicContact CG-CD2 4.32Å; L510-Y572 HydrophobicContact CG-CG 4.5Å; L510-T576 PolarHBondContact O-OG1 3.27Å
511	R	98.6	Very high	98.2	Very high	33 Å²	33	30.1 Å²	30.1	13%	0.125	14%	0.141	C	C	.	.			trans	-64.1	150.1	-172.5	-80.4	-167.6	176.4	-72.6	0.8	115.2	H439 L440 E488 F508 I509 E513 F571	H439-R511 VanDerWaalsContact CE1-CB 3.45Å; H439-R511 WeakPolarHBondContact CE1-CB 3.31Å; L440-R511 VanDerWaalsContact CD2-NH1 3.33Å; E488-R511 IonicContact OE1-CZ 2.74Å; E488-R511 IonicContact OE1-NE 3.81Å; E488-R511 PolarHBondContact OE1-NE 2.98Å; E488-R511 IonicContact OE1-NH2 2.67Å; E488-R511 PolarHBondContact OE1-NH2 2.83Å; E488-R511 IonicContact OE2-CZ 3.13Å; E488-R511 IonicContact OE2-NE 3.83Å; E488-R511 PolarHBondContact OE2-NE 3.49Å; E488-R511 IonicContact OE2-NH2 3.84Å; F508-R511 HydrophobicContact CE2-CB 4.19Å; I509-R511 VanDerWaalsContact C-N 3.32Å; I509-R511 HydrophobicContact CG1-CG 3.93Å; I509-R511 PolarHBondContact O-N 3.38Å; R511-E513 WeakPolarHBondContact CB-OE2 3.13Å; R511-E513 WeakPolarHBondContact CD-OE1 3.43Å; R511-E513 WeakPolarHBondContact CD-OE2 3.29Å; R511-E513 IonicContact CZ-OE1 2.86Å; R511-E513 IonicContact NE-OE1 3.66Å; R511-E513 IonicContact NH1-OE1 2.77Å; R511-E513 PolarHBondContact NH1-OE1 3.08Å; R511-F571 HydrophobicContact CG-CE2 4.32Å; R511-F571 HydrophobicContact CG-CZ 4.44Å
512	P	98.8	Very high	98.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	12%	0.123	C	C	.	.			trans	-96	-21.4	-175.9	36.1	-36.6	0	0	0	116.3	V514 I515 E516 E575 T576 Y579	P512-V514 PolarHBondContact O-N 2.67Å; P512-I515 CarbonylContact O-C 3.56Å; P512-I515 WeakPolarHBondContact O-CA 3.25Å; P512-I515 WeakPolarHBondContact O-CB 3.23Å; P512-I515 PolarHBondContact O-N 2.97Å; P512-E516 PolarHBondContact O-N 2.84Å; P512-E575 HydrophobicContact CB-CB 3.54Å; P512-E575 HydrophobicContact CG-CB 3.74Å; P512-E575 HydrophobicContact CG-CG 4.29Å; P512-T576 WeakPolarHBondContact CA-OG1 3.31Å; P512-Y579 HydrophobicContact CB-CD2 4.12Å; P512-Y579 HydrophobicContact CB-CE2 4.35Å
513	E	98.9	Very high	98.4	Very high	14 Å²	14	23.3 Å²	23.3	7%	0.065	11%	0.107	C	C	.	.	H	α-helix	trans	-69.5	-18	-151.4	-43.4	85.1	177.9	0	0	114.3	H439 L440 C442 F443 R511 T517	H439-E513 IonicContact CE1-OE2 2.67Å; H439-E513 PolarHBondContact CE1-OE2 3.44Å; H439-E513 IonicContact CG-OE2 3.83Å; H439-E513 IonicContact ND1-OE2 2.69Å; H439-E513 PolarHBondContact ND1-OE2 3.2Å; L440-E513 WeakPolarHBondContact CD2-OE1 3.44Å; C442-E513 CarbonylContact C-O 3.4Å; F443-E513 HydrophobicContact CB-CB 3.98Å; F443-E513 HydrophobicContact CB-CG 4.44Å; R511-E513 WeakPolarHBondContact CB-OE2 3.13Å; R511-E513 WeakPolarHBondContact CD-OE1 3.43Å; R511-E513 WeakPolarHBondContact CD-OE2 3.29Å; R511-E513 IonicContact CZ-OE1 2.86Å; R511-E513 IonicContact NE-OE1 3.66Å; R511-E513 IonicContact NH1-OE1 2.77Å; R511-E513 PolarHBondContact NH1-OE1 3.08Å; E513-T517 PolarHBondContact O-N 2.82Å
514	V	98.9	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-75.2	-40.6	169.6	176.4	0	0	0	0	111.9	C442 C474 Y478 P512 T517 Y518	C442-V514 HydrophobicContact CB-CB 4.49Å; C442-V514 HydrophobicContact CB-CG2 3.56Å; C474-V514 HydrophobicContact CB-CG1 4.22Å; C474-V514 HydrophobicContact CB-CG2 3.98Å; Y478-V514 HydrophobicContact CD2-CG1 4.21Å; Y478-V514 HydrophobicContact CD2-CG2 4.26Å; Y478-V514 HydrophobicContact CE2-CB 3.8Å; Y478-V514 HydrophobicContact CE2-CG1 3.87Å; Y478-V514 HydrophobicContact CE2-CG2 3.53Å; P512-V514 PolarHBondContact O-N 2.67Å; V514-T517 PolarHBondContact O-N 2.85Å; V514-Y518 HydrophobicContact CG1-CE1 3.8Å; V514-Y518 HydrophobicContact CG1-CE2 3.79Å; V514-Y518 WeakPolarHBondContact CG1-OH 3.47Å; V514-Y518 VanDerWaalsContact O-CD1 3.29Å; V514-Y518 WeakPolarHBondContact O-CD1 3.43Å; V514-Y518 PolarHBondContact O-N 3.1Å; V514-Y518 VanDerWaalsContact O-N 3.07Å
515	I	98.9	Very high	98.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-74.6	-37.2	179.6	-68.4	166.2	0	0	0	110.7	P512 T517 Y518 M519 A537 T576 L580	P512-I515 CarbonylContact O-C 3.56Å; P512-I515 WeakPolarHBondContact O-CA 3.25Å; P512-I515 WeakPolarHBondContact O-CB 3.23Å; P512-I515 PolarHBondContact O-N 2.97Å; I515-T517 VanDerWaalsContact C-N 3.31Å; I515-T517 PolarHBondContact O-N 3.46Å; I515-Y518 PolarHBondContact O-N 3.33Å; I515-Y518 VanDerWaalsContact O-N 3.15Å; I515-M519 PolarHBondContact O-N 2.67Å; I515-A537 HydrophobicContact CD1-CB 4.18Å; I515-A537 HydrophobicContact CG1-CB 4.42Å; I515-T576 HydrophobicContact CD1-CG2 3.93Å; I515-L580 HydrophobicContact CD1-CD1 4.38Å; I515-L580 HydrophobicContact CD1-CD2 4.27Å; I515-L580 HydrophobicContact CD1-CG 4.23Å; I515-L580 HydrophobicContact CG2-CD2 3.88Å; I515-L580 HydrophobicContact CG2-CG 3.79Å
516	E	98.9	Very high	98.7	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-52.3	-51.8	168.7	180	-170.9	-170.7	0	0	110.3	K387 F443 P512 Y518 M519 Y520 Y579	K387-E516 IonicContact NZ-OE1 3.36Å; F443-E516 WeakPolarHBondContact CB-OE2 3.47Å; P512-E516 PolarHBondContact O-N 2.84Å; E516-Y518 VanDerWaalsContact C-N 3.33Å; E516-Y518 PolarHBondContact O-N 3.46Å; E516-M519 WeakPolarHBondContact O-CB 3.42Å; E516-M519 PolarHBondContact O-N 2.69Å; E516-M519 VanDerWaalsContact O-N 3.12Å; E516-Y520 HydrophobicContact CG-CD2 3.82Å; E516-Y520 HydrophobicContact CG-CE2 3.65Å; E516-Y520 WeakPolarHBondContact O-CD2 3.31Å; E516-Y520 PolarHBondContact O-N 3.16Å; E516-Y579 HydrophobicContact CB-CD2 3.77Å; E516-Y579 HydrophobicContact CB-CE2 3.66Å; E516-Y579 HydrophobicContact CB-CG 4.28Å; E516-Y579 HydrophobicContact CG-CD2 4.29Å; E516-Y579 HydrophobicContact CG-CE1 4.11Å; E516-Y579 HydrophobicContact CG-CE2 3.78Å
517	T	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.2	-39.1	176.5	-80.7	0	0	0	0	112.4	C442 G446 A471 E513 V514 I515 M521	C442-T517 PolarHBondContact O-OG1 3.46Å; G446-T517 PolarHBondContact N-OG1 2.88Å; A471-T517 HydrophobicContact CB-CG2 3.53Å; E513-T517 PolarHBondContact O-N 2.82Å; V514-T517 PolarHBondContact O-N 2.85Å; I515-T517 VanDerWaalsContact C-N 3.31Å; I515-T517 PolarHBondContact O-N 3.46Å; T517-M521 HydrophobicContact CG2-CG 4.22Å; T517-M521 VanDerWaalsContact O-CB 3.26Å; T517-M521 WeakPolarHBondContact O-CB 3.49Å; T517-M521 WeakPolarHBondContact O-CG 3.5Å; T517-M521 PolarHBondContact O-N 2.8Å
518	Y	98.9	Very high	98.7	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-65.4	-37.5	174.1	-60.5	-15	0	0	0	112.7	H475 V514 I515 E516 W522 Y530 W533	H475-Y518 WeakPolarHBondContact CA-OH 3.5Å; H475-Y518 VanDerWaalsContact CB-OH 3.3Å; H475-Y518 WeakPolarHBondContact CB-OH 3.15Å; H475-Y518 PolarHBondContact CD2-OH 2.81Å; V514-Y518 HydrophobicContact CG1-CE1 3.8Å; V514-Y518 HydrophobicContact CG1-CE2 3.79Å; V514-Y518 WeakPolarHBondContact CG1-OH 3.47Å; V514-Y518 VanDerWaalsContact O-CD1 3.29Å; V514-Y518 WeakPolarHBondContact O-CD1 3.43Å; V514-Y518 PolarHBondContact O-N 3.1Å; V514-Y518 VanDerWaalsContact O-N 3.07Å; I515-Y518 PolarHBondContact O-N 3.33Å; I515-Y518 VanDerWaalsContact O-N 3.15Å; E516-Y518 VanDerWaalsContact C-N 3.33Å; E516-Y518 PolarHBondContact O-N 3.46Å; Y518-W522 VanDerWaalsContact O-CB 3.24Å; Y518-W522 WeakPolarHBondContact O-CB 3.26Å; Y518-W522 PolarHBondContact O-N 2.78Å; Y518-Y530 HydrophobicContact CD1-CD1 4.07Å; Y518-W533 HydrophobicContact CD1-CE3 4.16Å; Y518-W533 HydrophobicContact CD2-CB 3.99Å; Y518-W533 HydrophobicContact CE1-CB 4.38Å; Y518-W533 AromaticContact CE1-CE3 3.66Å; Y518-W533 HydrophobicContact CE1-CE3 3.66Å; Y518-W533 HydrophobicContact CE1-CZ3 4.37Å; Y518-W533 HydrophobicContact CE2-CB 3.53Å
519	M	98.9	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-50	176.8	-175.6	-72.6	-58.6	0	0	110.9	I515 E516 W522 R523 Y579 L582 L583 F592	I515-M519 PolarHBondContact O-N 2.67Å; E516-M519 WeakPolarHBondContact O-CB 3.42Å; E516-M519 PolarHBondContact O-N 2.69Å; E516-M519 VanDerWaalsContact O-N 3.12Å; M519-W522 PolarHBondContact O-N 3.48Å; M519-R523 WeakPolarHBondContact O-CG 3.45Å; M519-R523 PolarHBondContact O-N 3.31Å; M519-R523 VanDerWaalsContact O-N 3.14Å; M519-R523 HydrophobicContact SD-CG 4.39Å; M519-Y579 HydrophobicContact CE-CD1 3.86Å; M519-Y579 HydrophobicContact CE-CE1 4Å; M519-Y579 HydrophobicContact CG-CD1 4.4Å; M519-L582 HydrophobicContact CG-CB 4.01Å; M519-L583 HydrophobicContact CB-CB 4.4Å; M519-F592 HydrophobicContact CE-CE1 4.19Å; M519-F592 HydrophobicContact CE-CZ 3.99Å; M519-F592 HydrophobicContact SD-CE1 4.28Å; M519-F592 HydrophobicContact SD-CZ 3.82Å
520	Y	98.8	Very high	98.7	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-47.5	175	-78	-66.8	0	0	0	112.3	L450 E516 W522 R523 F524 F592	L450-Y520 HydrophobicContact CB-CD1 4.33Å; L450-Y520 HydrophobicContact CB-CE1 4.32Å; L450-Y520 HydrophobicContact CD1-CD1 4.45Å; L450-Y520 HydrophobicContact CD1-CE1 4Å; L450-Y520 HydrophobicContact CD2-CE1 3.86Å; L450-Y520 HydrophobicContact CG-CE1 4.27Å; E516-Y520 HydrophobicContact CG-CD2 3.82Å; E516-Y520 HydrophobicContact CG-CE2 3.65Å; E516-Y520 WeakPolarHBondContact O-CD2 3.31Å; E516-Y520 PolarHBondContact O-N 3.16Å; Y520-W522 VanDerWaalsContact C-N 3.33Å; Y520-W522 PolarHBondContact O-N 3.45Å; Y520-R523 PolarHBondContact O-N 3.13Å; Y520-F524 AromaticContact CD1-CE2 3.86Å; Y520-F524 HydrophobicContact CD1-CE2 3.86Å; Y520-F524 WeakPolarHBondContact O-CD2 3.39Å; Y520-F524 PolarHBondContact O-N 2.94Å; Y520-F592 AromaticContact CD1-CE1 3.98Å; Y520-F592 HydrophobicContact CD1-CE1 3.98Å; Y520-F592 AromaticContact CD1-CE2 3.73Å; Y520-F592 HydrophobicContact CD1-CE2 3.73Å; Y520-F592 AromaticContact CD1-CZ 3.31Å; Y520-F592 HydrophobicContact CD1-CZ 3.31Å; Y520-F592 HydrophobicContact CE1-CD1 4.25Å; Y520-F592 AromaticContact CE1-CE1 3.51Å; Y520-F592 HydrophobicContact CE1-CE1 3.51Å; Y520-F592 HydrophobicContact CE1-CE2 4.01Å; Y520-F592 AromaticContact CE1-CZ 3.37Å; Y520-F592 HydrophobicContact CE1-CZ 3.37Å; Y520-F592 HydrophobicContact CG-CZ 4.38Å
521	M	98.9	Very high	98.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-64.3	-36.5	-179.8	-71.9	-55.9	-56.1	0	0	112.5	A449 M464 A467 A468 A471 T517 T525 Y530	A449-M521 HydrophobicContact CB-SD 3.64Å; M464-M521 HydrophobicContact CE-CE 4.01Å; M464-M521 HydrophobicContact CE-SD 4.42Å; A467-M521 HydrophobicContact CB-CE 4.45Å; A467-M521 HydrophobicContact CB-SD 3.63Å; A468-M521 HydrophobicContact CB-CE 3.84Å; A471-M521 HydrophobicContact CB-CG 4.21Å; T517-M521 HydrophobicContact CG2-CG 4.22Å; T517-M521 VanDerWaalsContact O-CB 3.26Å; T517-M521 WeakPolarHBondContact O-CB 3.49Å; T517-M521 WeakPolarHBondContact O-CG 3.5Å; T517-M521 PolarHBondContact O-N 2.8Å; M521-T525 HydrophobicContact CE-CG2 3.86Å; M521-T525 WeakPolarHBondContact O-CB 3.41Å; M521-T525 WeakPolarHBondContact O-CG2 3.33Å; M521-T525 PolarHBondContact O-N 2.88Å; M521-T525 VanDerWaalsContact O-N 3.14Å; M521-T525 PolarHBondContact O-OG1 2.96Å; M521-Y530 HydrophobicContact CB-CD1 3.77Å; M521-Y530 HydrophobicContact CB-CD2 3.79Å; M521-Y530 HydrophobicContact CB-CE1 3.65Å; M521-Y530 HydrophobicContact CB-CE2 3.68Å; M521-Y530 HydrophobicContact CB-CG 3.86Å; M521-Y530 HydrophobicContact CE-CE2 4.16Å; M521-Y530 WeakPolarHBondContact CE-OH 3.4Å; M521-Y530 HydrophobicContact CG-CE1 4.02Å
522	W	98.8	Very high	98.7	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.087	15%	0.148	C	C	.	.	H	α-helix	trans	-58.2	-56.1	171.4	165.5	-101	0	0	0	110.8	Y518 M519 Y520 F524 T525 H526 R531 L583	Y518-W522 VanDerWaalsContact O-CB 3.24Å; Y518-W522 WeakPolarHBondContact O-CB 3.26Å; Y518-W522 PolarHBondContact O-N 2.78Å; M519-W522 PolarHBondContact O-N 3.48Å; Y520-W522 VanDerWaalsContact C-N 3.33Å; Y520-W522 PolarHBondContact O-N 3.45Å; W522-F524 PolarHBondContact O-N 2.82Å; W522-T525 PolarHBondContact O-N 3.33Å; W522-H526 HydrophobicContact CH2-CB 4.31Å; W522-H526 AromaticContact CZ2-CD2 3.87Å; W522-H526 HydrophobicContact CZ3-CB 4.43Å; W522-H526 WeakPolarHBondContact CZ3-O 3.32Å; W522-H526 VanDerWaalsContact O-CA 3.31Å; W522-H526 WeakPolarHBondContact O-CA 3.47Å; W522-H526 PolarHBondContact O-N 3.37Å; W522-R531 HydrophobicContact CD2-CG 3.96Å; W522-R531 HydrophobicContact CE3-CG 3.86Å; W522-R531 HydrophobicContact CG-CG 4.45Å; W522-R531 HydrophobicContact CZ3-CG 4.27Å; W522-L583 HydrophobicContact CB-CD1 3.43Å; W522-L583 VanDerWaalsContact CB-CD1 3.43Å; W522-L583 HydrophobicContact CG-CD1 3.74Å
523	R	98.2	Very high	98.7	Very high	14 Å²	14	31.6 Å²	31.6	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-45.1	-176.4	-67.1	-160.7	151.2	169.5	-1.4	112.7	M519 Y520 T525 H526 D586 D587 H589 L590 F592	M519-R523 WeakPolarHBondContact O-CG 3.45Å; M519-R523 PolarHBondContact O-N 3.31Å; M519-R523 VanDerWaalsContact O-N 3.14Å; M519-R523 HydrophobicContact SD-CG 4.39Å; Y520-R523 PolarHBondContact O-N 3.13Å; R523-T525 PolarHBondContact O-N 3.04Å; R523-H526 PolarHBondContact O-CE1 2.96Å; R523-H526 PolarHBondContact O-ND1 2.62Å; R523-H526 VanDerWaalsContact O-ND1 3.16Å; R523-D586 PolarHBondContact NH2-O 2.82Å; R523-D587 WeakPolarHBondContact CG-OD1 3.39Å; R523-D587 IonicContact CZ-OD1 3.78Å; R523-D587 IonicContact NE-OD1 2.79Å; R523-D587 PolarHBondContact NE-OD1 2.78Å; R523-H589 PolarHBondContact NH1-O 3.2Å; R523-H589 PolarHBondContact NH2-O 3.23Å; R523-L590 PolarHBondContact NH1-O 3.39Å; R523-F592 HydrophobicContact CB-CE2 3.84Å; R523-F592 HydrophobicContact CB-CZ 4.36Å; R523-F592 HydrophobicContact CG-CE2 4.3Å; R523-F592 HydrophobicContact CG-CZ 4.38Å
524	F	98.2	Very high	98.7	Very high	84 Å²	84	30.9 Å²	30.9	37%	0.368	15%	0.151	S	C	.	.	H	α-helix	trans	-76	-15	-178.5	-66.3	-56.3	0	0	0	115.6	A449 L450 M464 Y520 W522 F592	A449-F524 HydrophobicContact CB-CD2 3.82Å; A449-F524 HydrophobicContact CB-CE2 4.32Å; L450-F524 HydrophobicContact CB-CE2 4.11Å; L450-F524 HydrophobicContact CB-CZ 4.43Å; L450-F524 HydrophobicContact CD1-CE2 4.24Å; L450-F524 HydrophobicContact CD1-CZ 3.83Å; M464-F524 HydrophobicContact CE-CB 3.73Å; Y520-F524 AromaticContact CD1-CE2 3.86Å; Y520-F524 HydrophobicContact CD1-CE2 3.86Å; Y520-F524 WeakPolarHBondContact O-CD2 3.39Å; Y520-F524 PolarHBondContact O-N 2.94Å; W522-F524 PolarHBondContact O-N 2.82Å; F524-F592 AromaticContact CE1-CD2 3.98Å; F524-F592 HydrophobicContact CE1-CD2 3.98Å; F524-F592 HydrophobicContact CE1-CE2 4.26Å; F524-F592 HydrophobicContact CE2-CD2 4.29Å; F524-F592 AromaticContact CE2-CE2 3.93Å; F524-F592 HydrophobicContact CE2-CE2 3.93Å; F524-F592 AromaticContact CZ-CD2 3.59Å; F524-F592 HydrophobicContact CZ-CD2 3.59Å; F524-F592 AromaticContact CZ-CE2 3.7Å; F524-F592 HydrophobicContact CZ-CE2 3.7Å
525	T	98.3	Very high	98.7	Very high	57 Å²	57	33.1 Å²	33.1	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-127.8	-22.4	-174.9	69.8	0	0	0	0	115.5	M464 M521 W522 R523 D527	M464-T525 HydrophobicContact CE-CG2 3.59Å; M521-T525 HydrophobicContact CE-CG2 3.86Å; M521-T525 WeakPolarHBondContact O-CB 3.41Å; M521-T525 WeakPolarHBondContact O-CG2 3.33Å; M521-T525 PolarHBondContact O-N 2.88Å; M521-T525 VanDerWaalsContact O-N 3.14Å; M521-T525 PolarHBondContact O-OG1 2.96Å; W522-T525 PolarHBondContact O-N 3.33Å; R523-T525 PolarHBondContact O-N 3.04Å; T525-D527 PolarHBondContact O-N 3.32Å; T525-D527 VanDerWaalsContact O-N 3.11Å; T525-D527 WeakPolarHBondContact OG1-CB 3.29Å; T525-D527 PolarHBondContact OG1-N 2.81Å
526	H	98.2	Very high	98.7	Very high	105 Å²	105	37.1 Å²	37.1	49%	0.486	18%	0.178	S	C	.	.			trans	51.5	22.7	-168.8	-73.3	57	0	0	0	114.1	W522 R523 P528 D587	W522-H526 HydrophobicContact CH2-CB 4.31Å; W522-H526 AromaticContact CZ2-CD2 3.87Å; W522-H526 HydrophobicContact CZ3-CB 4.43Å; W522-H526 WeakPolarHBondContact CZ3-O 3.32Å; W522-H526 VanDerWaalsContact O-CA 3.31Å; W522-H526 WeakPolarHBondContact O-CA 3.47Å; W522-H526 PolarHBondContact O-N 3.37Å; R523-H526 PolarHBondContact O-CE1 2.96Å; R523-H526 PolarHBondContact O-ND1 2.62Å; R523-H526 VanDerWaalsContact O-ND1 3.16Å; H526-P528 WeakPolarHBondContact O-CD 3.43Å; H526-D587 IonicContact CE1-OD2 2.66Å; H526-D587 PolarHBondContact CE1-OD2 3.05Å; H526-D587 VanDerWaalsContact CE1-OD2 3.28Å; H526-D587 IonicContact NE2-OD2 3.51Å
527	D	98.6	Very high	98.7	Very high	54 Å²	54	36.9 Å²	36.9	29%	0.289	18%	0.177	S	C	.	.			trans	-72.5	117.3	175.4	-176.1	-29.2	0	0	0	109.7	T525 K529 Y530	T525-D527 PolarHBondContact O-N 3.32Å; T525-D527 VanDerWaalsContact O-N 3.11Å; T525-D527 WeakPolarHBondContact OG1-CB 3.29Å; T525-D527 PolarHBondContact OG1-N 2.81Å; D527-K529 PolarHBondContact O-N 2.96Å; D527-K529 WeakPolarHBondContact OD1-CB 3.48Å; D527-K529 WeakPolarHBondContact OD1-CD 3.45Å; D527-K529 VanDerWaalsContact OD1-CG 3.25Å; D527-K529 WeakPolarHBondContact OD1-CG 3.49Å; D527-K529 PolarHBondContact OD1-N 3.29Å; D527-K529 WeakPolarHBondContact OD2-CD 3.39Å; D527-K529 WeakPolarHBondContact OD2-CE 3.32Å; D527-K529 IonicContact OD2-NZ 3.01Å; D527-K529 PolarHBondContact OD2-NZ 2.86Å; D527-Y530 HydrophobicContact CB-CD2 3.88Å; D527-Y530 HydrophobicContact CB-CE2 3.83Å; D527-Y530 WeakPolarHBondContact O-CD2 3.5Å; D527-Y530 PolarHBondContact O-N 3.43Å
528	P	98.4	Very high	98.7	Very high	86 Å²	86	37 Å²	37	56%	0.558	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.5	-172.6	25.9	-35.3	0	0	0	113.5	H526 Y530 R531 E532	H526-P528 WeakPolarHBondContact O-CD 3.43Å; P528-Y530 PolarHBondContact O-N 2.88Å; P528-Y530 VanDerWaalsContact O-N 3.15Å; P528-R531 PolarHBondContact O-N 2.96Å; P528-E532 PolarHBondContact O-N 2.81Å
529	K	98.6	Very high	98.7	Very high	66 Å²	66	42.2 Å²	42.2	29%	0.287	20%	0.202	S	C	.	.	H	α-helix	trans	-58.4	-30.8	178.6	82.4	-164.8	179.4	-134.6	0	112.4	D527 E532 W533	D527-K529 PolarHBondContact O-N 2.96Å; D527-K529 WeakPolarHBondContact OD1-CB 3.48Å; D527-K529 WeakPolarHBondContact OD1-CD 3.45Å; D527-K529 VanDerWaalsContact OD1-CG 3.25Å; D527-K529 WeakPolarHBondContact OD1-CG 3.49Å; D527-K529 PolarHBondContact OD1-N 3.29Å; D527-K529 WeakPolarHBondContact OD2-CD 3.39Å; D527-K529 WeakPolarHBondContact OD2-CE 3.32Å; D527-K529 IonicContact OD2-NZ 3.01Å; D527-K529 PolarHBondContact OD2-NZ 2.86Å; K529-E532 PolarHBondContact O-N 3.3Å; K529-W533 HydrophobicContact CB-CZ2 4.39Å; K529-W533 HydrophobicContact CD-CH2 3.96Å; K529-W533 HydrophobicContact CD-CZ2 3.95Å; K529-W533 HydrophobicContact CG-CD2 4.4Å; K529-W533 HydrophobicContact CG-CH2 4.19Å; K529-W533 HydrophobicContact CG-CZ2 4.03Å; K529-W533 HydrophobicContact CG-CZ3 4.42Å; K529-W533 WeakPolarHBondContact O-CB 3.38Å; K529-W533 VanDerWaalsContact O-CD1 3.3Å; K529-W533 PolarHBondContact O-N 3.33Å
530	Y	98.8	Very high	98.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-70.6	-33.4	178.6	-62	-63.9	0	0	0	112.1	A471 Y518 M521 D527 P528 W533 G534	A471-Y530 HydrophobicContact CB-CE1 3.91Å; Y518-Y530 HydrophobicContact CD1-CD1 4.07Å; M521-Y530 HydrophobicContact CB-CD1 3.77Å; M521-Y530 HydrophobicContact CB-CD2 3.79Å; M521-Y530 HydrophobicContact CB-CE1 3.65Å; M521-Y530 HydrophobicContact CB-CE2 3.68Å; M521-Y530 HydrophobicContact CB-CG 3.86Å; M521-Y530 HydrophobicContact CE-CE2 4.16Å; M521-Y530 WeakPolarHBondContact CE-OH 3.4Å; M521-Y530 HydrophobicContact CG-CE1 4.02Å; D527-Y530 HydrophobicContact CB-CD2 3.88Å; D527-Y530 HydrophobicContact CB-CE2 3.83Å; D527-Y530 WeakPolarHBondContact O-CD2 3.5Å; D527-Y530 PolarHBondContact O-N 3.43Å; P528-Y530 PolarHBondContact O-N 2.88Å; P528-Y530 VanDerWaalsContact O-N 3.15Å; Y530-W533 AromaticContact CD1-CE3 3.84Å; Y530-W533 HydrophobicContact CD1-CE3 3.84Å; Y530-W533 AromaticContact CD1-CZ3 3.97Å; Y530-W533 HydrophobicContact CD1-CZ3 3.97Å; Y530-W533 HydrophobicContact CE1-CE3 4.04Å; Y530-W533 AromaticContact CE1-CZ3 3.66Å; Y530-W533 HydrophobicContact CE1-CZ3 3.66Å; Y530-G534 PolarHBondContact O-N 2.93Å
531	R	98.6	Very high	98.7	Very high	27 Å²	27	42.3 Å²	42.3	10%	0.102	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-37.7	169.8	-85	-175	171.3	179.2	5.6	111.9	T158 R161 W522 P528 W535 L583 F584 S585	T158-R531 PolarHBondContact OG1-NH1 3.48Å; T158-R531 VanDerWaalsContact OG1-NH1 3.1Å; R161-R531 PolarHBondContact NH1-O 2.68Å; W522-R531 HydrophobicContact CD2-CG 3.96Å; W522-R531 HydrophobicContact CE3-CG 3.86Å; W522-R531 HydrophobicContact CG-CG 4.45Å; W522-R531 HydrophobicContact CZ3-CG 4.27Å; P528-R531 PolarHBondContact O-N 2.96Å; R531-W535 WeakPolarHBondContact O-CB 3.33Å; R531-W535 PolarHBondContact O-N 3.48Å; R531-L583 HydrophobicContact CG-CD1 3.8Å; R531-L583 HydrophobicContact CG-CG 4.14Å; R531-L583 PolarHBondContact NE-O 3.35Å; R531-L583 PolarHBondContact NH2-O 2.77Å; R531-L583 VanDerWaalsContact NH2-O 3.09Å; R531-F584 HydrophobicContact CB-CE1 3.83Å; R531-F584 HydrophobicContact CB-CZ 4.43Å; R531-F584 HydrophobicContact CG-CD1 4.12Å; R531-F584 HydrophobicContact CG-CE1 3.82Å; R531-F584 VanDerWaalsContact O-CZ 3.27Å; R531-F584 WeakPolarHBondContact O-CZ 3.32Å; R531-S585 PolarHBondContact NH2-O 2.87Å
532	E	98.8	Very high	98.7	Very high	82 Å²	82	44.3 Å²	44.3	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-66.2	-46.6	174	-63.1	-43.1	98.7	0	0	112.2	R161 P528 K529 G534 W535 E536	R161-E532 IonicContact CZ-OE1 3.16Å; R161-E532 VanDerWaalsContact CZ-OE1 3.27Å; R161-E532 IonicContact CZ-OE2 3.96Å; R161-E532 IonicContact NH1-OE1 2.86Å; R161-E532 PolarHBondContact NH1-OE1 2.74Å; R161-E532 IonicContact NH1-OE2 2.69Å; R161-E532 IonicContact NH2-OE1 3.68Å; R161-E532 PolarHBondContact NH2-OE1 3.32Å; R161-E532 IonicContact NH2-OE2 3.72Å; R161-E532 PolarHBondContact NH2-OE2 2.87Å; P528-E532 PolarHBondContact O-N 2.81Å; K529-E532 PolarHBondContact O-N 3.3Å; E532-G534 VanDerWaalsContact C-N 3.31Å; E532-G534 PolarHBondContact O-N 3.06Å; E532-W535 CarbonylContact O-C 3.57Å; E532-W535 WeakPolarHBondContact O-CA 3.43Å; E532-W535 WeakPolarHBondContact O-CB 3.15Å; E532-W535 PolarHBondContact O-N 3.34Å; E532-E536 PolarHBondContact O-N 3.48Å
533	W	98.9	Very high	98.6	Very high	36 Å²	36	50.5 Å²	50.5	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-34.8	177.6	-61.6	-11.9	0	0	0	112.5	R472 H475 Y518 K529 Y530 A537	R472-W533 HydrophobicContact CB-CH2 4.35Å; H475-W533 HydrophobicContact CB-CD2 3.96Å; H475-W533 HydrophobicContact CB-CE3 3.79Å; H475-W533 HydrophobicContact CB-CH2 4.29Å; H475-W533 HydrophobicContact CB-CZ2 4.45Å; H475-W533 HydrophobicContact CB-CZ3 3.96Å; H475-W533 AromaticContact CD2-CD1 3.55Å; H475-W533 AromaticContact CD2-CD2 3.65Å; H475-W533 AromaticContact CD2-CG 3.35Å; H475-W533 AromaticContact CD2-NE1 3.95Å; H475-W533 AromaticContact CE1-CD1 3.63Å; H475-W533 AromaticContact CE1-CE2 3.93Å; H475-W533 AromaticContact CE1-NE1 3.48Å; H475-W533 PolarHBondContact CE1-NE1 3.12Å; H475-W533 AromaticContact CG-CD2 3.59Å; H475-W533 AromaticContact CG-CE2 3.71Å; H475-W533 AromaticContact CG-CE3 3.98Å; H475-W533 AromaticContact CG-CG 3.82Å; H475-W533 AromaticContact CG-NE1 3.97Å; H475-W533 AromaticContact ND1-CE2 3.68Å; H475-W533 AromaticContact ND1-NE1 3.72Å; H475-W533 AromaticContact NE2-CD1 3.28Å; H475-W533 VanDerWaalsContact NE2-CD1 3.28Å; H475-W533 AromaticContact NE2-CG 3.6Å; H475-W533 AromaticContact NE2-NE1 3.64Å; Y518-W533 HydrophobicContact CD1-CE3 4.16Å; Y518-W533 HydrophobicContact CD2-CB 3.99Å; Y518-W533 HydrophobicContact CE1-CB 4.38Å; Y518-W533 AromaticContact CE1-CE3 3.66Å; Y518-W533 HydrophobicContact CE1-CE3 3.66Å; Y518-W533 HydrophobicContact CE1-CZ3 4.37Å; Y518-W533 HydrophobicContact CE2-CB 3.53Å; K529-W533 HydrophobicContact CB-CZ2 4.39Å; K529-W533 HydrophobicContact CD-CH2 3.96Å; K529-W533 HydrophobicContact CD-CZ2 3.95Å; K529-W533 HydrophobicContact CG-CD2 4.4Å; K529-W533 HydrophobicContact CG-CH2 4.19Å; K529-W533 HydrophobicContact CG-CZ2 4.03Å; K529-W533 HydrophobicContact CG-CZ3 4.42Å; K529-W533 WeakPolarHBondContact O-CB 3.38Å; K529-W533 VanDerWaalsContact O-CD1 3.3Å; K529-W533 PolarHBondContact O-N 3.33Å; Y530-W533 AromaticContact CD1-CE3 3.84Å; Y530-W533 HydrophobicContact CD1-CE3 3.84Å; Y530-W533 AromaticContact CD1-CZ3 3.97Å; Y530-W533 HydrophobicContact CD1-CZ3 3.97Å; Y530-W533 HydrophobicContact CE1-CE3 4.04Å; Y530-W533 AromaticContact CE1-CZ3 3.66Å; Y530-W533 HydrophobicContact CE1-CZ3 3.66Å; W533-A537 PolarHBondContact O-N 3.02Å
534	G	98.8	Very high	98.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-37.9	169.4	0	0	0	0	0	113	Y530 E532 A537 V538	Y530-G534 PolarHBondContact O-N 2.93Å; E532-G534 VanDerWaalsContact C-N 3.31Å; E532-G534 PolarHBondContact O-N 3.06Å; G534-A537 PolarHBondContact O-N 2.95Å; G534-V538 WeakPolarHBondContact O-CG2 3.32Å; G534-V538 PolarHBondContact O-N 3.23Å
535	W	98.8	Very high	98.7	Very high	47 Å²	47	46.7 Å²	46.7	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-73.3	-36.3	177.5	-167.8	-129.1	0	0	0	113	R161 K164 R531 E532 A537 V538 Q539 F584	R161-W535 HydrophobicContact CB-CD2 4.48Å; R161-W535 HydrophobicContact CB-CE3 3.88Å; R161-W535 HydrophobicContact CB-CH2 4.15Å; R161-W535 HydrophobicContact CB-CZ3 3.69Å; R161-W535 HydrophobicContact CG-CD2 3.77Å; R161-W535 HydrophobicContact CG-CE3 3.67Å; R161-W535 HydrophobicContact CG-CG 4.48Å; R161-W535 HydrophobicContact CG-CH2 3.82Å; R161-W535 HydrophobicContact CG-CZ2 3.89Å; R161-W535 HydrophobicContact CG-CZ3 3.7Å; R161-W535 VanDerWaalsContact CZ-CD1 3.46Å; K164-W535 HydrophobicContact CB-CH2 4.09Å; K164-W535 HydrophobicContact CB-CZ3 4.32Å; K164-W535 HydrophobicContact CG-CH2 3.99Å; K164-W535 HydrophobicContact CG-CZ3 4.25Å; R531-W535 WeakPolarHBondContact O-CB 3.33Å; R531-W535 PolarHBondContact O-N 3.48Å; E532-W535 CarbonylContact O-C 3.57Å; E532-W535 WeakPolarHBondContact O-CA 3.43Å; E532-W535 WeakPolarHBondContact O-CB 3.15Å; E532-W535 PolarHBondContact O-N 3.34Å; W535-A537 VanDerWaalsContact C-N 3.27Å; W535-A537 PolarHBondContact O-N 3.31Å; W535-V538 HydrophobicContact CE3-CB 3.75Å; W535-V538 HydrophobicContact CE3-CG1 3.78Å; W535-V538 HydrophobicContact CE3-CG2 4.02Å; W535-V538 HydrophobicContact CH2-CG1 4.29Å; W535-V538 HydrophobicContact CZ3-CB 4.07Å; W535-V538 HydrophobicContact CZ3-CG1 3.56Å; W535-V538 HydrophobicContact CZ3-CG2 4.36Å; W535-V538 PolarHBondContact O-N 2.68Å; W535-Q539 VanDerWaalsContact CD1-NE2 3.33Å; W535-Q539 VanDerWaalsContact NE1-NE2 3.14Å; W535-Q539 WeakPolarHBondContact O-CG 3.49Å; W535-Q539 PolarHBondContact O-N 3.14Å; W535-F584 HydrophobicContact CB-CZ 4.09Å; W535-F584 HydrophobicContact CE3-CZ 4.49Å
536	E	98.8	Very high	98.7	Very high	85 Å²	85	47 Å²	47	40%	0.397	22%	0.219	S	C	.	.	H	α-helix	trans	-55.2	-44	168	-72.1	179.1	-174.9	0	0	110.9	H475 E532 Q539 A540	H475-E536 IonicContact CD2-OE2 2.72Å; H475-E536 IonicContact CE1-OE2 2.71Å; H475-E536 IonicContact NE2-OE2 3.89Å; H475-E536 PolarHBondContact NE2-OE2 3.41Å; E532-E536 PolarHBondContact O-N 3.48Å; E536-Q539 PolarHBondContact O-N 2.95Å; E536-A540 WeakPolarHBondContact O-CB 3.37Å; E536-A540 PolarHBondContact O-N 2.79Å
537	A	98.8	Very high	98.7	Very high	2 Å²	2	44 Å²	44	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-38.3	176.3	0	0	0	0	0	112.8	Y478 I515 W533 G534 W535 A540 L541	Y478-A537 HydrophobicContact CE1-CB 4.2Å; I515-A537 HydrophobicContact CD1-CB 4.18Å; I515-A537 HydrophobicContact CG1-CB 4.42Å; W533-A537 PolarHBondContact O-N 3.02Å; G534-A537 PolarHBondContact O-N 2.95Å; W535-A537 VanDerWaalsContact C-N 3.27Å; W535-A537 PolarHBondContact O-N 3.31Å; A537-A540 PolarHBondContact O-N 3.04Å; A537-L541 WeakPolarHBondContact O-CB 3.39Å; A537-L541 VanDerWaalsContact O-CG 3.28Å; A537-L541 WeakPolarHBondContact O-CG 3.28Å; A537-L541 PolarHBondContact O-N 2.81Å
538	V	98.9	Very high	98.7	Very high	2 Å²	2	48 Å²	48	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-48.9	171.8	169.5	0	0	0	0	111.1	I165 M168 G534 W535 A540 L541 E542 L580	I165-V538 HydrophobicContact CD1-CG2 4.33Å; I165-V538 HydrophobicContact CG1-CG2 4.18Å; M168-V538 HydrophobicContact CE-CG1 4.29Å; M168-V538 HydrophobicContact SD-CG1 3.72Å; G534-V538 WeakPolarHBondContact O-CG2 3.32Å; G534-V538 PolarHBondContact O-N 3.23Å; W535-V538 HydrophobicContact CE3-CB 3.75Å; W535-V538 HydrophobicContact CE3-CG1 3.78Å; W535-V538 HydrophobicContact CE3-CG2 4.02Å; W535-V538 HydrophobicContact CH2-CG1 4.29Å; W535-V538 HydrophobicContact CZ3-CB 4.07Å; W535-V538 HydrophobicContact CZ3-CG1 3.56Å; W535-V538 HydrophobicContact CZ3-CG2 4.36Å; W535-V538 PolarHBondContact O-N 2.68Å; V538-A540 VanDerWaalsContact C-N 3.28Å; V538-A540 PolarHBondContact O-N 2.93Å; V538-L541 PolarHBondContact O-N 3.45Å; V538-E542 HydrophobicContact CG1-CG 4.45Å; V538-E542 WeakPolarHBondContact O-CG 3.45Å; V538-E542 PolarHBondContact O-N 2.88Å; V538-L580 HydrophobicContact CG2-CD1 3.76Å; V538-L580 HydrophobicContact CG2-CD2 3.64Å; V538-L580 HydrophobicContact CG2-CG 4.27Å
539	Q	98.9	Very high	98.7	Very high	110 Å²	110	44 Å²	44	51%	0.514	20%	0.197	S	C	.	.	H	α-helix	trans	-62	-37	178.7	-68.5	178.9	14.6	0	0	111.9	W535 E536 K543	W535-Q539 VanDerWaalsContact CD1-NE2 3.33Å; W535-Q539 VanDerWaalsContact NE1-NE2 3.14Å; W535-Q539 WeakPolarHBondContact O-CG 3.49Å; W535-Q539 PolarHBondContact O-N 3.14Å; E536-Q539 PolarHBondContact O-N 2.95Å; Q539-K543 WeakPolarHBondContact O-CB 3.41Å; Q539-K543 PolarHBondContact O-N 2.88Å; Q539-K543 VanDerWaalsContact O-N 3.13Å
540	A	98.8	Very high	98.7	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-66	-47.2	175.1	0	0	0	0	0	112.3	L483 K484 L485 E536 A537 V538 K543 H544	L483-A540 WeakPolarHBondContact O-CB 3.39Å; K484-A540 HydrophobicContact CB-CB 3.97Å; K484-A540 WeakPolarHBondContact O-CB 3.46Å; L485-A540 HydrophobicContact CD2-CB 3.64Å; L485-A540 HydrophobicContact CG-CB 3.9Å; E536-A540 WeakPolarHBondContact O-CB 3.37Å; E536-A540 PolarHBondContact O-N 2.79Å; A537-A540 PolarHBondContact O-N 3.04Å; V538-A540 VanDerWaalsContact C-N 3.28Å; V538-A540 PolarHBondContact O-N 2.93Å; A540-K543 PolarHBondContact O-N 2.95Å; A540-H544 WeakPolarHBondContact O-CB 3.4Å; A540-H544 PolarHBondContact O-N 2.8Å
541	L	98.9	Very high	98.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-47.6	176.2	-73.9	165.6	0	0	0	111.8	M168 L485 F508 L510 A537 V538 K543 C545 R546 Y572 T576 L580	M168-L541 HydrophobicContact CE-CB 4.13Å; M168-L541 HydrophobicContact CE-CD1 4.45Å; L485-L541 HydrophobicContact CD2-CD2 4.3Å; L485-L541 HydrophobicContact CD2-CG 4.26Å; F508-L541 HydrophobicContact CE1-CD2 3.87Å; F508-L541 HydrophobicContact CZ-CD2 4.27Å; L510-L541 HydrophobicContact CD2-CD2 4.07Å; A537-L541 WeakPolarHBondContact O-CB 3.39Å; A537-L541 VanDerWaalsContact O-CG 3.28Å; A537-L541 WeakPolarHBondContact O-CG 3.28Å; A537-L541 PolarHBondContact O-N 2.81Å; V538-L541 PolarHBondContact O-N 3.45Å; L541-K543 VanDerWaalsContact C-N 3.3Å; L541-K543 PolarHBondContact O-N 3.25Å; L541-C545 HydrophobicContact CD2-CB 4.13Å; L541-C545 WeakPolarHBondContact O-CA 3.35Å; L541-C545 WeakPolarHBondContact O-CB 3.47Å; L541-C545 PolarHBondContact O-N 2.8Å; L541-R546 PolarHBondContact O-N 2.9Å; L541-Y572 HydrophobicContact CD1-CE2 4.17Å; L541-Y572 HydrophobicContact CD2-CE2 4.05Å; L541-T576 HydrophobicContact CD1-CG2 4.16Å; L541-L580 HydrophobicContact CD1-CD1 4.22Å
542	E	98.8	Very high	98.7	Very high	44 Å²	44	39.5 Å²	39.5	21%	0.206	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-35.9	178.4	-77.6	-59.9	92.2	0	0	113.3	K164 M168 V538 R546 Y551	K164-E542 WeakPolarHBondContact CE-OE2 3.42Å; K164-E542 IonicContact NZ-OE2 3.88Å; K164-E542 PolarHBondContact NZ-OE2 3.06Å; M168-E542 HydrophobicContact CE-CG 4.14Å; M168-E542 WeakPolarHBondContact CG-OE1 3.29Å; M168-E542 HydrophobicContact SD-CG 4.14Å; V538-E542 HydrophobicContact CG1-CG 4.45Å; V538-E542 WeakPolarHBondContact O-CG 3.45Å; V538-E542 PolarHBondContact O-N 2.88Å; E542-R546 WeakPolarHBondContact O-CB 3.31Å; E542-R546 WeakPolarHBondContact OE1-CD 3.41Å; E542-R546 IonicContact OE1-NH1 2.84Å; E542-R546 WeakPolarHBondContact OE2-CD 3.28Å; E542-R546 IonicContact OE2-CZ 3.01Å; E542-R546 IonicContact OE2-NH1 2.61Å; E542-R546 PolarHBondContact OE2-NH1 3.14Å; E542-Y551 VanDerWaalsContact OE1-CE1 3.31Å; E542-Y551 WeakPolarHBondContact OE1-CE1 3.47Å; E542-Y551 PolarHBondContact OE1-OH 3.39Å
543	K	98.6	Very high	98.7	Very high	153 Å²	153	35.6 Å²	35.6	67%	0.665	16%	0.16	S	C	*	.	H	α-helix	trans	-87.6	-26.1	-175.5	-175.3	179	163.4	-123.5	0	113.6	Q539 A540 L541	Q539-K543 WeakPolarHBondContact O-CB 3.41Å; Q539-K543 PolarHBondContact O-N 2.88Å; Q539-K543 VanDerWaalsContact O-N 3.13Å; A540-K543 PolarHBondContact O-N 2.95Å; L541-K543 VanDerWaalsContact C-N 3.3Å; L541-K543 PolarHBondContact O-N 3.25Å
544	H	98.6	Very high	98.7	Very high	18 Å²	18	33.9 Å²	33.9	8%	0.083	15%	0.154	C	C	.	.	H	α-helix	trans	-130	-12.8	-167.5	-63	-54.6	0	0	0	115.8	L483 L485 A540 V554 P562 H564	L483-H544 HydrophobicContact CB-CB 4.38Å; L483-H544 HydrophobicContact CD1-CB 4.47Å; L483-H544 HydrophobicContact CD2-CB 4.5Å; L483-H544 PolarHBondContact O-CD2 3.49Å; L483-H544 VanDerWaalsContact O-CD2 3.25Å; L485-H544 HydrophobicContact CD1-CB 4.36Å; A540-H544 WeakPolarHBondContact O-CB 3.4Å; A540-H544 PolarHBondContact O-N 2.8Å; H544-V554 WeakPolarHBondContact O-CG1 3.32Å; H544-P562 WeakPolarHBondContact O-CB 3.31Å; H544-H564 PolarHBondContact O-CE1 3.03Å; H544-H564 VanDerWaalsContact O-CE1 3.26Å
545	C	98.8	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-27.2	176.2	-74.6	0	0	0	0	113.6	L510 L541 Y551 S552	L510-C545 HydrophobicContact CD2-CB 3.71Å; L510-C545 VanDerWaalsContact CD2-SG 3.59Å; L541-C545 HydrophobicContact CD2-CB 4.13Å; L541-C545 WeakPolarHBondContact O-CA 3.35Å; L541-C545 WeakPolarHBondContact O-CB 3.47Å; L541-C545 PolarHBondContact O-N 2.8Å; C545-Y551 HydrophobicContact CB-CD1 4.35Å; C545-Y551 WeakPolarHBondContact O-CA 3.4Å; C545-S552 WeakPolarHBondContact CB-O 3.36Å; C545-S552 PolarHBondContact O-N 2.71Å; C545-S552 PolarHBondContact SG-O 2.91Å
546	R	98.8	Very high	98.7	Very high	63 Å²	63	38.8 Å²	38.8	24%	0.238	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.2	179.6	-165.9	169.4	-179.3	159.8	0.2	112.6	E167 H171 L541 E542 Y551	E167-R546 IonicContact OE1-CZ 3.91Å; E167-R546 IonicContact OE1-NH1 3.48Å; E167-R546 PolarHBondContact OE1-NH1 3.29Å; E167-R546 VanDerWaalsContact OE1-NH1 3.15Å; E167-R546 IonicContact OE1-NH2 3.65Å; E167-R546 PolarHBondContact OE1-NH2 2.8Å; E167-R546 IonicContact OE2-CZ 2.67Å; E167-R546 IonicContact OE2-NH1 3.7Å; E167-R546 PolarHBondContact OE2-NH1 2.97Å; E167-R546 IonicContact OE2-NH2 3.82Å; H171-R546 VanDerWaalsContact CB-NH2 3.32Å; H171-R546 PolarHBondContact ND1-NH2 3.45Å; L541-R546 PolarHBondContact O-N 2.9Å; E542-R546 WeakPolarHBondContact O-CB 3.31Å; E542-R546 WeakPolarHBondContact OE1-CD 3.41Å; E542-R546 IonicContact OE1-NH1 2.84Å; E542-R546 WeakPolarHBondContact OE2-CD 3.28Å; E542-R546 IonicContact OE2-CZ 3.01Å; E542-R546 IonicContact OE2-NH1 2.61Å; E542-R546 PolarHBondContact OE2-NH1 3.14Å; R546-Y551 HydrophobicContact CB-CD1 3.85Å; R546-Y551 HydrophobicContact CB-CE1 3.52Å; R546-Y551 HydrophobicContact CG-CD1 4.26Å; R546-Y551 HydrophobicContact CG-CE1 3.69Å
547	L	98.5	Very high	98.6	Very high	42 Å²	42	34.8 Å²	34.8	22%	0.22	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.6	178.2	-66.3	172.5	0	0	0	110.2	H171 P188 V189 G549 G550	H171-L547 PolarHBondContact CE1-O 2.96Å; H171-L547 VanDerWaalsContact CE1-O 3.29Å; H171-L547 PolarHBondContact NE2-O 2.9Å; P188-L547 HydrophobicContact CB-CD1 4.14Å; P188-L547 HydrophobicContact CG-CD1 4.07Å; V189-L547 HydrophobicContact CG2-CD1 3.56Å; L547-G549 PolarHBondContact O-N 2.8Å; L547-G549 VanDerWaalsContact O-N 3.16Å; L547-G550 WeakPolarHBondContact CA-O 3.39Å; L547-G550 PolarHBondContact N-O 2.94Å; L547-G550 PolarHBondContact O-N 3.04Å; L547-G550 VanDerWaalsContact O-O 3.05Å
548	E	98.3	Very high	98.6	Very high	139 Å²	139	37.5 Å²	37.5	65%	0.65	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27	173.5	-166	-138.7	129.4	0	0	112.8	K191	K191-E548 IonicContact NZ-OE1 3.49Å; K191-E548 PolarHBondContact NZ-OE1 2.9Å; K191-E548 IonicContact NZ-OE2 2.8Å; K191-E548 PolarHBondContact NZ-OE2 2.86Å
549	G	98.3	Very high	98.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	21.5	-178.3	0	0	0	0	0	115.6	S175 L186 P188 L547	S175-G549 WeakPolarHBondContact CB-O 2.95Å; L186-G549 WeakPolarHBondContact CD2-O 3.46Å; P188-G549 VanDerWaalsContact CA-O 3.24Å; P188-G549 WeakPolarHBondContact CA-O 3.29Å; P188-G549 WeakPolarHBondContact CB-O 3.37Å; P188-G549 WeakPolarHBondContact O-CA 3.48Å; L547-G549 PolarHBondContact O-N 2.8Å; L547-G549 VanDerWaalsContact O-N 3.16Å
550	G	98.7	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.4	-146	177.8	0	0	0	0	0	112.9	S175 L547	S175-G550 PolarHBondContact OG-N 3.35Å; L547-G550 WeakPolarHBondContact CA-O 3.39Å; L547-G550 PolarHBondContact N-O 2.94Å; L547-G550 PolarHBondContact O-N 3.04Å; L547-G550 VanDerWaalsContact O-O 3.05Å
551	Y	98.9	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.8	172.3	-64.1	-99.8	0	0	0	110.8	M168 H171 A172 P188 E542 C545 R546 Q568 Y572	M168-Y551 WeakPolarHBondContact CA-OH 3.32Å; M168-Y551 WeakPolarHBondContact CB-OH 3.47Å; M168-Y551 HydrophobicContact CE-CE1 4.34Å; M168-Y551 WeakPolarHBondContact CG-OH 3.19Å; M168-Y551 WeakPolarHBondContact O-CE2 3.32Å; H171-Y551 HydrophobicContact CB-CE2 4.35Å; H171-Y551 AromaticContact CD2-CE2 3.54Å; A172-Y551 HydrophobicContact CB-CD2 3.83Å; A172-Y551 HydrophobicContact CB-CE2 3.91Å; P188-Y551 WeakPolarHBondContact CG-O 3.32Å; E542-Y551 VanDerWaalsContact OE1-CE1 3.31Å; E542-Y551 WeakPolarHBondContact OE1-CE1 3.47Å; E542-Y551 PolarHBondContact OE1-OH 3.39Å; C545-Y551 HydrophobicContact CB-CD1 4.35Å; C545-Y551 WeakPolarHBondContact O-CA 3.4Å; R546-Y551 HydrophobicContact CB-CD1 3.85Å; R546-Y551 HydrophobicContact CB-CE1 3.52Å; R546-Y551 HydrophobicContact CG-CD1 4.26Å; R546-Y551 HydrophobicContact CG-CE1 3.69Å; Y551-Q568 WeakPolarHBondContact O-CA 3.26Å; Y551-Q568 WeakPolarHBondContact O-CB 3.31Å; Y551-Q568 WeakPolarHBondContact O-CG 3.14Å; Y551-Y572 HydrophobicContact CD1-CE1 4.04Å; Y551-Y572 AromaticContact CD1-CZ 3.88Å; Y551-Y572 WeakPolarHBondContact CD1-OH 3.02Å; Y551-Y572 HydrophobicContact CD2-CD1 4.26Å; Y551-Y572 AromaticContact CD2-CE1 3.38Å; Y551-Y572 HydrophobicContact CD2-CE1 3.38Å; Y551-Y572 WeakPolarHBondContact CE1-OH 3.15Å; Y551-Y572 AromaticContact CE2-CE1 3.91Å; Y551-Y572 HydrophobicContact CE2-CE1 3.91Å; Y551-Y572 HydrophobicContact CG-CD1 4.32Å; Y551-Y572 AromaticContact CG-CE1 3.46Å; Y551-Y572 HydrophobicContact CG-CE1 3.46Å; Y551-Y572 VanDerWaalsContact CG-CE1 3.46Å; Y551-Y572 AromaticContact CG-CZ 3.78Å
552	S	98.8	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.			trans	-124.5	145.3	178.4	-154	0	0	0	0	111.4	C545 D565 D566 V567	C545-S552 WeakPolarHBondContact CB-O 3.36Å; C545-S552 PolarHBondContact O-N 2.71Å; C545-S552 PolarHBondContact SG-O 2.91Å; S552-D565 PolarHBondContact OG-OD1 2.64Å; S552-D566 VanDerWaalsContact OG-CA 3.29Å; S552-D566 WeakPolarHBondContact OG-CA 3.37Å; S552-D566 PolarHBondContact OG-N 2.89Å; S552-V567 PolarHBondContact OG-N 3.26Å
553	G	98.5	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.			trans	-59.6	166.6	163.4	0	0	0	0	0	112.8	F508 H564 D565 V567	F508-G553 CarbonylContact O-C 3.55Å; F508-G553 WeakPolarHBondContact O-CA 3.41Å; G553-H564 CarbonylContact O-C 3.52Å; G553-H564 VanDerWaalsContact O-CA 3.29Å; G553-H564 WeakPolarHBondContact O-CA 3.34Å; G553-D565 WeakPolarHBondContact CA-OD1 3.23Å; G553-D565 WeakPolarHBondContact CA-OD2 3.47Å; G553-D565 PolarHBondContact N-OD1 3.17Å; G553-D565 PolarHBondContact O-N 3.39Å; G553-V567 PolarHBondContact N-O 3.26Å
554	V	98.5	Very high	97.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-128.3	139	-177.1	-65.9	0	0	0	0	111	L483 L485 Y507 F508 H544 V557 P562 N563	L483-V554 HydrophobicContact CD1-CB 4.31Å; L483-V554 HydrophobicContact CD1-CG1 4.46Å; L483-V554 HydrophobicContact CD1-CG2 4.04Å; L485-V554 HydrophobicContact CD1-CG2 4.46Å; Y507-V554 CarbonylContact C-O 3.59Å; Y507-V554 VanDerWaalsContact CA-O 3.25Å; Y507-V554 WeakPolarHBondContact CA-O 3.37Å; Y507-V554 WeakPolarHBondContact CB-O 3.44Å; F508-V554 HydrophobicContact CB-CG2 3.98Å; F508-V554 HydrophobicContact CD1-CG2 4.42Å; F508-V554 PolarHBondContact N-O 2.95Å; F508-V554 PolarHBondContact O-N 3.25Å; H544-V554 WeakPolarHBondContact O-CG1 3.32Å; V554-V557 HydrophobicContact CG2-CG1 3.99Å; V554-P562 HydrophobicContact CG1-CB 3.65Å; V554-N563 WeakPolarHBondContact CA-O 3.44Å
555	R	98.4	Very high	97.4	Very high	128 Å²	128	42.3 Å²	42.3	48%	0.483	22%	0.224	S	C	.	.	S	Bend	trans	-85.2	-15.9	-169.5	-63	177.5	-175.8	-80.9	0.6	114.9	N563 H564 D565	R555-N563 WeakPolarHBondContact CB-O 3.38Å; R555-N563 WeakPolarHBondContact CG-O 3.25Å; R555-N563 PolarHBondContact N-O 3.11Å; R555-H564 PolarHBondContact NE-O 3.23Å; R555-D565 HydrophobicContact CG-CB 4.49Å; R555-D565 PolarHBondContact NH2-O 2.74Å
556	D	98.5	Very high	97.4	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.118	23%	0.229	C	C	.	.			trans	-154	108.8	176.2	-169	-33.4	0	0	0	109.8	Q503 K506 Y558 A559	Q503-D556 PolarHBondContact NE2-OD2 2.88Å; K506-D556 WeakPolarHBondContact CD-OD2 3.36Å; K506-D556 IonicContact NZ-OD1 3.8Å; K506-D556 IonicContact NZ-OD2 3.61Å; K506-D556 PolarHBondContact NZ-OD2 2.82Å; K506-D556 WeakPolarHBondContact O-CA 3.23Å; D556-Y558 PolarHBondContact O-N 3.46Å; D556-Y558 WeakPolarHBondContact OD1-CA 3.29Å; D556-Y558 WeakPolarHBondContact OD1-CB 3.33Å; D556-Y558 PolarHBondContact OD1-N 3.14Å; D556-A559 HydrophobicContact CB-CB 4.34Å; D556-A559 PolarHBondContact O-N 3.08Å; D556-A559 PolarHBondContact OD1-N 2.86Å
557	V	98.6	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.2	179.8	-60.6	0	0	0	0	114.5	T481 A482 L483 L485 P487 K506 F508 V554	T481-V557 WeakPolarHBondContact CB-O 3.46Å; T481-V557 HydrophobicContact CG2-CB 4.23Å; T481-V557 HydrophobicContact CG2-CG2 3.58Å; A482-V557 PolarHBondContact N-O 2.74Å; L483-V557 PolarHBondContact N-O 3.47Å; L483-V557 VanDerWaalsContact N-O 3.08Å; L485-V557 HydrophobicContact CB-CG1 4.19Å; L485-V557 VanDerWaalsContact O-CB 3.31Å; L485-V557 WeakPolarHBondContact O-CB 3.15Å; L485-V557 WeakPolarHBondContact O-CG1 3.44Å; P487-V557 HydrophobicContact CB-CG2 3.99Å; K506-V557 PolarHBondContact O-N 3.03Å; F508-V557 HydrophobicContact CB-CG1 3.65Å; V554-V557 HydrophobicContact CG2-CG1 3.99Å
558	Y	98.3	Very high	97.4	Very high	60 Å²	60	38.8 Å²	38.8	24%	0.235	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-2.9	176.1	-54.5	-85.5	0	0	0	112.8	T481 P487 I499 A500 K506 D556	T481-Y558 HydrophobicContact CG2-CD1 4.47Å; T481-Y558 HydrophobicContact CG2-CE1 3.79Å; P487-Y558 HydrophobicContact CB-CE2 4.42Å; I499-Y558 VanDerWaalsContact CA-OH 3.28Å; I499-Y558 WeakPolarHBondContact CA-OH 3.47Å; I499-Y558 HydrophobicContact CB-CE1 4.14Å; I499-Y558 WeakPolarHBondContact CB-OH 3.28Å; I499-Y558 HydrophobicContact CG2-CE1 3.94Å; A500-Y558 HydrophobicContact CB-CE2 4.04Å; A500-Y558 PolarHBondContact N-OH 2.98Å; K506-Y558 HydrophobicContact CB-CD2 4.35Å; K506-Y558 HydrophobicContact CB-CE2 4.44Å; K506-Y558 HydrophobicContact CD-CD2 4.02Å; K506-Y558 HydrophobicContact CG-CD2 3.98Å; K506-Y558 HydrophobicContact CG-CE2 4.03Å; D556-Y558 PolarHBondContact O-N 3.46Å; D556-Y558 WeakPolarHBondContact OD1-CA 3.29Å; D556-Y558 WeakPolarHBondContact OD1-CB 3.33Å; D556-Y558 PolarHBondContact OD1-N 3.14Å
559	A	95.6	Very high	97.4	Very high	29 Å²	29	33.9 Å²	33.9	24%	0.24	19%	0.188	C	C	.	.	S	Bend	trans	-71.3	147.9	173.4	0	0	0	0	0	111.6	L483 D556 S561	L483-A559 VanDerWaalsContact CD2-O 3.29Å; L483-A559 WeakPolarHBondContact CD2-O 3.34Å; D556-A559 HydrophobicContact CB-CB 4.34Å; D556-A559 PolarHBondContact O-N 3.08Å; D556-A559 PolarHBondContact OD1-N 2.86Å; A559-S561 VanDerWaalsContact C-N 3.26Å; A559-S561 WeakPolarHBondContact CB-O 3.37Å; A559-S561 PolarHBondContact O-N 3.4Å
560	S	90.7	Very high	97.4	Very high	118 Å²	118	33.8 Å²	33.8	83%	0.825	19%	0.187	S	C	*	.	S	Bend	trans	-73.4	-16.8	174.9	50.5	0	0	0	0	114
561	S	91.6	Very high	97.4	Very high	82 Å²	82	34.4 Å²	34.4	57%	0.573	19%	0.19	S	C	*	.	S	Bend	trans	-136.3	138.4	173.9	-60.6	0	0	0	0	109.1	A559	A559-S561 VanDerWaalsContact C-N 3.26Å; A559-S561 WeakPolarHBondContact CB-O 3.37Å; A559-S561 PolarHBondContact O-N 3.4Å
562	P	94.4	Very high	97.4	Very high	44 Å²	44	34.4 Å²	34.4	29%	0.286	19%	0.19	S	C	.	.			trans	-66.2	137.8	-179	27.5	-34.6	0	0	0	111.8	L483 H544 V554	L483-P562 HydrophobicContact CD1-CB 4.24Å; H544-P562 WeakPolarHBondContact O-CB 3.31Å; V554-P562 HydrophobicContact CG1-CB 3.65Å
563	N	96.7	Very high	97.4	Very high	98 Å²	98	34.4 Å²	34.4	52%	0.524	19%	0.19	S	C	.	.			trans	-111.5	107	168.8	177.8	7.3	0	0	0	107.7	V554 R555	V554-N563 WeakPolarHBondContact CA-O 3.44Å; R555-N563 WeakPolarHBondContact CB-O 3.38Å; R555-N563 WeakPolarHBondContact CG-O 3.25Å; R555-N563 PolarHBondContact N-O 3.11Å
564	H	98.3	Very high	97.4	Very high	43 Å²	43	34.4 Å²	34.4	20%	0.199	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-76.4	152.7	-167.3	-65.7	-73.6	0	0	0	114	V189 H544 G553 R555	V189-H564 HydrophobicContact CG2-CB 4.04Å; H544-H564 PolarHBondContact O-CE1 3.03Å; H544-H564 VanDerWaalsContact O-CE1 3.26Å; G553-H564 CarbonylContact O-C 3.52Å; G553-H564 VanDerWaalsContact O-CA 3.29Å; G553-H564 WeakPolarHBondContact O-CA 3.34Å; R555-H564 PolarHBondContact NE-O 3.23Å
565	D	98.1	Very high	97.4	Very high	18 Å²	18	35 Å²	35	10%	0.096	19%	0.192	C	C	.	.			trans	-82.3	-20.1	174.6	69.2	-9.9	0	0	0	114.2	S552 G553 R555 V567	S552-D565 PolarHBondContact OG-OD1 2.64Å; G553-D565 WeakPolarHBondContact CA-OD1 3.23Å; G553-D565 WeakPolarHBondContact CA-OD2 3.47Å; G553-D565 PolarHBondContact N-OD1 3.17Å; G553-D565 PolarHBondContact O-N 3.39Å; R555-D565 HydrophobicContact CG-CB 4.49Å; R555-D565 PolarHBondContact NH2-O 2.74Å; D565-V567 PolarHBondContact OD1-N 2.84Å
566	D	98.5	Very high	97.5	Very high	19 Å²	19	28.9 Å²	28.9	10%	0.102	17%	0.169	C	C	.	.	S	Bend	trans	61	42.8	-169.1	-173.7	47.9	0	0	0	113.2	R187 V189 S190 S552	R187-D566 WeakPolarHBondContact CA-OD1 3.45Å; R187-D566 WeakPolarHBondContact CB-OD1 3.26Å; R187-D566 WeakPolarHBondContact CB-OD2 3.44Å; R187-D566 WeakPolarHBondContact CD-OD2 3.14Å; R187-D566 WeakPolarHBondContact CG-O 3.45Å; R187-D566 IonicContact CZ-OD2 3.37Å; R187-D566 PolarHBondContact NH1-O 3.28Å; R187-D566 IonicContact NH1-OD2 2.68Å; R187-D566 PolarHBondContact NH1-OD2 3.32Å; V189-D566 WeakPolarHBondContact CA-OD1 3.17Å; V189-D566 HydrophobicContact CB-CB 4.13Å; V189-D566 VanDerWaalsContact CB-OD1 3.23Å; V189-D566 WeakPolarHBondContact CB-OD1 3.19Å; V189-D566 HydrophobicContact CG2-CB 4.05Å; V189-D566 PolarHBondContact N-OD1 3.48Å; S190-D566 WeakPolarHBondContact CB-OD2 3.33Å; S190-D566 PolarHBondContact N-OD1 3.14Å; S190-D566 PolarHBondContact OG-OD2 2.63Å; S552-D566 VanDerWaalsContact OG-CA 3.29Å; S552-D566 WeakPolarHBondContact OG-CA 3.37Å; S552-D566 PolarHBondContact OG-N 2.89Å
567	V	98.6	Very high	97.5	Very high	13 Å²	13	27.8 Å²	27.8	8%	0.079	16%	0.164	C	C	.	.			trans	-137.5	128.2	168.4	-171.3	0	0	0	0	111.2	S552 G553 D565 Q569	S552-V567 PolarHBondContact OG-N 3.26Å; G553-V567 PolarHBondContact N-O 3.26Å; D565-V567 PolarHBondContact OD1-N 2.84Å; V567-Q569 HydrophobicContact CG1-CG 4.36Å
568	Q	98.8	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-96	101	160.5	-170.1	176.9	-83.6	0	0	107.3	A172 L186 Y551 L573	A172-Q568 PolarHBondContact O-NE2 3.17Å; L186-Q568 HydrophobicContact CB-CB 4.05Å; L186-Q568 HydrophobicContact CD2-CB 4.24Å; L186-Q568 HydrophobicContact CG-CB 4.29Å; L186-Q568 PolarHBondContact O-N 2.72Å; Y551-Q568 WeakPolarHBondContact O-CA 3.26Å; Y551-Q568 WeakPolarHBondContact O-CB 3.31Å; Y551-Q568 WeakPolarHBondContact O-CG 3.14Å; Q568-L573 HydrophobicContact CG-CD1 4.2Å
569	Q	98.5	Very high	97.5	Very high	35 Å²	35	25 Å²	25	16%	0.164	15%	0.152	C	C	.	.			trans	-65.5	146.1	178.7	-56.4	-78	-30.6	0	0	110.2	I509 V567 F571 Y572	I509-Q569 HydrophobicContact CB-CG 4.46Å; I509-Q569 WeakPolarHBondContact O-CG 3.42Å; V567-Q569 HydrophobicContact CG1-CG 4.36Å; Q569-F571 HydrophobicContact CB-CD1 4.04Å; Q569-F571 HydrophobicContact CB-CD2 3.93Å; Q569-F571 HydrophobicContact CB-CE1 3.71Å; Q569-F571 HydrophobicContact CB-CE2 3.61Å; Q569-F571 HydrophobicContact CB-CG 4.13Å; Q569-F571 HydrophobicContact CB-CZ 3.49Å; Q569-F571 VanDerWaalsContact CB-CZ 3.49Å; Q569-F571 HydrophobicContact CG-CE1 3.94Å; Q569-F571 HydrophobicContact CG-CE2 3.88Å; Q569-F571 HydrophobicContact CG-CZ 3.45Å; Q569-F571 VanDerWaalsContact CG-CZ 3.45Å; Q569-F571 PolarHBondContact O-N 2.75Å; Q569-Y572 WeakPolarHBondContact O-CB 3.46Å; Q569-Y572 PolarHBondContact O-N 2.91Å; Q569-Y572 VanDerWaalsContact O-N 3.16Å
570	S	98.7	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.8	-35.8	-179.1	60.4	0	0	0	0	112.8	T206 D209 R250 Y572 L573 A574	T206-S570 WeakPolarHBondContact OG1-CB 3.49Å; D209-S570 WeakPolarHBondContact OD2-CB 3.42Å; D209-S570 PolarHBondContact OD2-OG 2.98Å; R250-S570 PolarHBondContact NH1-OG 3.23Å; S570-Y572 PolarHBondContact O-N 2.84Å; S570-L573 PolarHBondContact O-N 2.54Å; S570-A574 PolarHBondContact O-N 2.78Å
571	F	98.6	Very high	98.1	Very high	12 Å²	12	18.3 Å²	18.3	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-17.4	172.9	56.3	-113.5	0	0	0	114.4	I509 R511 Q569 L573 E575 T576 E600	I509-F571 HydrophobicContact CD1-CZ 4.21Å; I509-F571 HydrophobicContact CG1-CZ 4.21Å; I509-F571 WeakPolarHBondContact O-CE2 3.14Å; I509-F571 WeakPolarHBondContact O-CZ 3.32Å; R511-F571 HydrophobicContact CG-CE2 4.32Å; R511-F571 HydrophobicContact CG-CZ 4.44Å; Q569-F571 HydrophobicContact CB-CD1 4.04Å; Q569-F571 HydrophobicContact CB-CD2 3.93Å; Q569-F571 HydrophobicContact CB-CE1 3.71Å; Q569-F571 HydrophobicContact CB-CE2 3.61Å; Q569-F571 HydrophobicContact CB-CG 4.13Å; Q569-F571 HydrophobicContact CB-CZ 3.49Å; Q569-F571 VanDerWaalsContact CB-CZ 3.49Å; Q569-F571 HydrophobicContact CG-CE1 3.94Å; Q569-F571 HydrophobicContact CG-CE2 3.88Å; Q569-F571 HydrophobicContact CG-CZ 3.45Å; Q569-F571 VanDerWaalsContact CG-CZ 3.45Å; Q569-F571 PolarHBondContact O-N 2.75Å; F571-L573 VanDerWaalsContact C-N 3.27Å; F571-L573 PolarHBondContact O-N 2.87Å; F571-E575 HydrophobicContact CB-CB 4.46Å; F571-E575 HydrophobicContact CB-CG 3.91Å; F571-E575 VanDerWaalsContact CB-OE1 3.32Å; F571-E575 WeakPolarHBondContact CB-OE1 3.32Å; F571-E575 WeakPolarHBondContact O-CA 3.49Å; F571-E575 VanDerWaalsContact O-CB 3.26Å; F571-E575 WeakPolarHBondContact O-CB 3.36Å; F571-E575 PolarHBondContact O-N 2.82Å; F571-T576 PolarHBondContact O-N 3.06Å; F571-T576 VanDerWaalsContact O-N 3.07Å; F571-E600 WeakPolarHBondContact CB-OE1 3.46Å
572	Y	98.9	Very high	98.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-64.3	-37.3	172	-177.9	-112.3	0	0	0	111.6	A172 L510 L541 Y551 Q569 S570 T576 L577	A172-Y572 HydrophobicContact CB-CD1 4.45Å; A172-Y572 HydrophobicContact CB-CE1 4.27Å; L510-Y572 HydrophobicContact CB-CD2 3.68Å; L510-Y572 HydrophobicContact CB-CG 4.04Å; L510-Y572 HydrophobicContact CD1-CD1 4.37Å; L510-Y572 HydrophobicContact CD1-CD2 4.23Å; L510-Y572 HydrophobicContact CD1-CG 3.94Å; L510-Y572 HydrophobicContact CD2-CD2 4.37Å; L510-Y572 HydrophobicContact CD2-CE2 4.47Å; L510-Y572 HydrophobicContact CG-CD2 4.32Å; L510-Y572 HydrophobicContact CG-CG 4.5Å; L541-Y572 HydrophobicContact CD1-CE2 4.17Å; L541-Y572 HydrophobicContact CD2-CE2 4.05Å; Y551-Y572 HydrophobicContact CD1-CE1 4.04Å; Y551-Y572 AromaticContact CD1-CZ 3.88Å; Y551-Y572 WeakPolarHBondContact CD1-OH 3.02Å; Y551-Y572 HydrophobicContact CD2-CD1 4.26Å; Y551-Y572 AromaticContact CD2-CE1 3.38Å; Y551-Y572 HydrophobicContact CD2-CE1 3.38Å; Y551-Y572 WeakPolarHBondContact CE1-OH 3.15Å; Y551-Y572 AromaticContact CE2-CE1 3.91Å; Y551-Y572 HydrophobicContact CE2-CE1 3.91Å; Y551-Y572 HydrophobicContact CG-CD1 4.32Å; Y551-Y572 AromaticContact CG-CE1 3.46Å; Y551-Y572 HydrophobicContact CG-CE1 3.46Å; Y551-Y572 VanDerWaalsContact CG-CE1 3.46Å; Y551-Y572 AromaticContact CG-CZ 3.78Å; Q569-Y572 WeakPolarHBondContact O-CB 3.46Å; Q569-Y572 PolarHBondContact O-N 2.91Å; Q569-Y572 VanDerWaalsContact O-N 3.16Å; S570-Y572 PolarHBondContact O-N 2.84Å; Y572-T576 HydrophobicContact CD2-CG2 3.71Å; Y572-T576 HydrophobicContact CE2-CG2 3.71Å; Y572-L577 HydrophobicContact CD1-CD1 4.02Å; Y572-L577 HydrophobicContact CD1-CG 4.44Å; Y572-L577 HydrophobicContact CE1-CD1 3.62Å; Y572-L577 HydrophobicContact CE1-CD2 4.38Å; Y572-L577 HydrophobicContact CE1-CG 4.01Å; Y572-L577 HydrophobicContact CE2-CD2 4.48Å; Y572-L577 HydrophobicContact CE2-CG 4.29Å; Y572-L577 WeakPolarHBondContact O-CB 3.25Å; Y572-L577 WeakPolarHBondContact O-CG 3.34Å; Y572-L577 PolarHBondContact O-N 3.34Å
573	L	98.9	Very high	98.6	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.062	C	C	.	.	I	π-helix	trans	-86	-38.4	175.9	-67.4	85.8	0	0	0	111.3	M169 A172 W173 T206 A210 T213 Q568 S570 F571	M169-L573 HydrophobicContact CE-CB 4.07Å; M169-L573 HydrophobicContact CE-CD2 3.98Å; M169-L573 HydrophobicContact CE-CG 4.37Å; M169-L573 HydrophobicContact SD-CB 3.98Å; M169-L573 HydrophobicContact SD-CD2 3.97Å; M169-L573 HydrophobicContact SD-CG 3.96Å; A172-L573 HydrophobicContact CB-CD1 4.29Å; A172-L573 HydrophobicContact CB-CD2 4.22Å; A172-L573 HydrophobicContact CB-CG 4.17Å; W173-L573 HydrophobicContact CB-CD2 4.46Å; W173-L573 HydrophobicContact CE3-CD2 4.17Å; T206-L573 HydrophobicContact CG2-CD1 4.23Å; T206-L573 HydrophobicContact CG2-CD2 4.05Å; A210-L573 HydrophobicContact CB-CB 4.25Å; A210-L573 HydrophobicContact CB-CD2 4.32Å; T213-L573 WeakPolarHBondContact CB-O 3.03Å; T213-L573 VanDerWaalsContact CG2-O 3.3Å; T213-L573 WeakPolarHBondContact CG2-O 3.47Å; T213-L573 PolarHBondContact OG1-O 3.36Å; Q568-L573 HydrophobicContact CG-CD1 4.2Å; S570-L573 PolarHBondContact O-N 2.54Å; F571-L573 VanDerWaalsContact C-N 3.27Å; F571-L573 PolarHBondContact O-N 2.87Å
574	A	98.9	Very high	98.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-69.4	-40.6	-180	0	0	0	0	0	112.4	D209 T213 S570 K578 E600	D209-A574 HydrophobicContact CB-CB 3.89Å; D209-A574 WeakPolarHBondContact O-CA 3.21Å; D209-A574 VanDerWaalsContact O-CB 3.23Å; D209-A574 WeakPolarHBondContact O-CB 3.29Å; T213-A574 PolarHBondContact OG1-O 2.93Å; S570-A574 PolarHBondContact O-N 2.78Å; A574-K578 WeakPolarHBondContact O-CB 3.29Å; A574-K578 VanDerWaalsContact O-CD 3.27Å; A574-K578 WeakPolarHBondContact O-CD 3.35Å; A574-K578 WeakPolarHBondContact O-CE 3.46Å; A574-K578 PolarHBondContact O-NZ 3.33Å; A574-E600 HydrophobicContact CB-CG 4.27Å
575	E	98.9	Very high	98.7	Very high	12 Å²	12	5.7 Å²	5.7	6%	0.056	3%	0.028	C	C	.	.	I	π-helix	trans	-121.7	-61.2	-165.5	-48.9	-161.5	-108.2	0	0	112.7	P512 F571 L577 K578 Y579 E600 A601	P512-E575 HydrophobicContact CB-CB 3.54Å; P512-E575 HydrophobicContact CG-CB 3.74Å; P512-E575 HydrophobicContact CG-CG 4.29Å; F571-E575 HydrophobicContact CB-CB 4.46Å; F571-E575 HydrophobicContact CB-CG 3.91Å; F571-E575 VanDerWaalsContact CB-OE1 3.32Å; F571-E575 WeakPolarHBondContact CB-OE1 3.32Å; F571-E575 WeakPolarHBondContact O-CA 3.49Å; F571-E575 VanDerWaalsContact O-CB 3.26Å; F571-E575 WeakPolarHBondContact O-CB 3.36Å; F571-E575 PolarHBondContact O-N 2.82Å; E575-L577 PolarHBondContact O-N 2.6Å; E575-K578 PolarHBondContact O-N 3.12Å; E575-Y579 HydrophobicContact CB-CD2 4.13Å; E575-Y579 HydrophobicContact CB-CE2 3.99Å; E575-Y579 WeakPolarHBondContact O-CD2 3.34Å; E575-Y579 PolarHBondContact O-N 2.59Å; E575-E600 VanDerWaalsContact CD-CA 3.49Å; E575-E600 HydrophobicContact CG-CG 4.07Å; E575-A601 HydrophobicContact CB-CB 3.86Å; E575-A601 HydrophobicContact CG-CB 3.64Å; E575-A601 PolarHBondContact OE2-N 3.42Å
576	T	98.9	Very high	98.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-59.6	-47.3	-169.5	-61.9	0	0	0	0	111.2	L510 P512 I515 L541 F571 Y572 L580	L510-T576 PolarHBondContact O-OG1 3.27Å; P512-T576 WeakPolarHBondContact CA-OG1 3.31Å; I515-T576 HydrophobicContact CD1-CG2 3.93Å; L541-T576 HydrophobicContact CD1-CG2 4.16Å; F571-T576 PolarHBondContact O-N 3.06Å; F571-T576 VanDerWaalsContact O-N 3.07Å; Y572-T576 HydrophobicContact CD2-CG2 3.71Å; Y572-T576 HydrophobicContact CE2-CG2 3.71Å; T576-L580 HydrophobicContact CG2-CD1 4.43Å; T576-L580 WeakPolarHBondContact O-CB 3.18Å; T576-L580 WeakPolarHBondContact O-CD1 3.33Å; T576-L580 WeakPolarHBondContact O-CG 3.47Å; T576-L580 PolarHBondContact O-N 3.42Å
577	L	98.9	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-74.2	-29.6	175.8	-68	173	0	0	0	113.3	I165 M168 M169 A172 M217 Y572 E575 L580 Y581	I165-L577 HydrophobicContact CG2-CD2 4.19Å; I165-L577 WeakPolarHBondContact CG2-O 3.34Å; M168-L577 HydrophobicContact CB-CD2 3.77Å; M168-L577 HydrophobicContact CE-CD2 4.14Å; M169-L577 HydrophobicContact CB-CD1 4.08Å; M169-L577 HydrophobicContact SD-CD1 3.88Å; A172-L577 HydrophobicContact CB-CD1 4.41Å; M217-L577 HydrophobicContact CE-CB 4.06Å; M217-L577 VanDerWaalsContact CE-O 3.31Å; M217-L577 WeakPolarHBondContact CE-O 3.34Å; Y572-L577 HydrophobicContact CD1-CD1 4.02Å; Y572-L577 HydrophobicContact CD1-CG 4.44Å; Y572-L577 HydrophobicContact CE1-CD1 3.62Å; Y572-L577 HydrophobicContact CE1-CD2 4.38Å; Y572-L577 HydrophobicContact CE1-CG 4.01Å; Y572-L577 HydrophobicContact CE2-CD2 4.48Å; Y572-L577 HydrophobicContact CE2-CG 4.29Å; Y572-L577 WeakPolarHBondContact O-CB 3.25Å; Y572-L577 WeakPolarHBondContact O-CG 3.34Å; Y572-L577 PolarHBondContact O-N 3.34Å; E575-L577 PolarHBondContact O-N 2.6Å; L577-L580 HydrophobicContact CD2-CD1 4.46Å; L577-Y581 VanDerWaalsContact O-CB 3.32Å; L577-Y581 WeakPolarHBondContact O-CB 3.28Å; L577-Y581 PolarHBondContact O-N 3.03Å
578	K	98.9	Very high	98.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.2	-52.5	177.1	-177.4	-175.8	-74.2	148.3	0	111.6	D212 T213 I216 A574 E575 L580 Y581 L582 F597 A601	D212-K578 WeakPolarHBondContact OD1-CE 3.5Å; D212-K578 IonicContact OD1-NZ 2.72Å; D212-K578 PolarHBondContact OD1-NZ 2.89Å; D212-K578 IonicContact OD2-NZ 2.67Å; D212-K578 PolarHBondContact OD2-NZ 2.77Å; T213-K578 HydrophobicContact CG2-CB 4.35Å; T213-K578 WeakPolarHBondContact OG1-CE 2.95Å; I216-K578 HydrophobicContact CD1-CG 3.9Å; A574-K578 WeakPolarHBondContact O-CB 3.29Å; A574-K578 VanDerWaalsContact O-CD 3.27Å; A574-K578 WeakPolarHBondContact O-CD 3.35Å; A574-K578 WeakPolarHBondContact O-CE 3.46Å; A574-K578 PolarHBondContact O-NZ 3.33Å; E575-K578 PolarHBondContact O-N 3.12Å; K578-L580 VanDerWaalsContact C-N 3.33Å; K578-L580 PolarHBondContact O-N 2.92Å; K578-Y581 PolarHBondContact O-N 3.1Å; K578-Y581 VanDerWaalsContact O-N 3.14Å; K578-L582 HydrophobicContact CG-CD1 4.09Å; K578-L582 WeakPolarHBondContact O-CG 3.34Å; K578-L582 PolarHBondContact O-N 3.12Å; K578-F597 HydrophobicContact CD-CE1 4.37Å; K578-A601 HydrophobicContact CD-CB 3.88Å; K578-A601 WeakPolarHBondContact CD-O 3.39Å; K578-A601 WeakPolarHBondContact CE-O 3.42Å; K578-A601 PolarHBondContact NZ-O 2.94Å
579	Y	98.9	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.5	-36.1	177.5	-66.9	-49.3	0	0	0	112.1	P512 E516 M519 E575 L582 L583 F597 A601	P512-Y579 HydrophobicContact CB-CD2 4.12Å; P512-Y579 HydrophobicContact CB-CE2 4.35Å; E516-Y579 HydrophobicContact CB-CD2 3.77Å; E516-Y579 HydrophobicContact CB-CE2 3.66Å; E516-Y579 HydrophobicContact CB-CG 4.28Å; E516-Y579 HydrophobicContact CG-CD2 4.29Å; E516-Y579 HydrophobicContact CG-CE1 4.11Å; E516-Y579 HydrophobicContact CG-CE2 3.78Å; M519-Y579 HydrophobicContact CE-CD1 3.86Å; M519-Y579 HydrophobicContact CE-CE1 4Å; M519-Y579 HydrophobicContact CG-CD1 4.4Å; E575-Y579 HydrophobicContact CB-CD2 4.13Å; E575-Y579 HydrophobicContact CB-CE2 3.99Å; E575-Y579 WeakPolarHBondContact O-CD2 3.34Å; E575-Y579 PolarHBondContact O-N 2.59Å; Y579-L582 PolarHBondContact O-N 2.82Å; Y579-L583 VanDerWaalsContact O-CB 3.24Å; Y579-L583 WeakPolarHBondContact O-CB 3.47Å; Y579-L583 PolarHBondContact O-N 2.81Å; Y579-F597 HydrophobicContact CE1-CD1 4.21Å; Y579-F597 HydrophobicContact CE1-CG 4.42Å; Y579-A601 HydrophobicContact CD2-CB 4.31Å; Y579-A601 HydrophobicContact CE1-CB 3.89Å; Y579-A601 HydrophobicContact CE2-CB 3.54Å; Y579-A601 WeakPolarHBondContact OH-CA 3.47Å; Y579-A601 VanDerWaalsContact OH-CB 3.3Å; Y579-A601 WeakPolarHBondContact OH-CB 3.1Å
580	L	98.9	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.9	-48.1	168.9	-79.6	173.2	0	0	0	111.8	I165 I515 V538 L541 T576 L577 K578 L582 L583 F584	I165-L580 HydrophobicContact CD1-CB 3.81Å; I165-L580 HydrophobicContact CG1-CB 4.15Å; I165-L580 HydrophobicContact CG2-CB 3.93Å; I515-L580 HydrophobicContact CD1-CD1 4.38Å; I515-L580 HydrophobicContact CD1-CD2 4.27Å; I515-L580 HydrophobicContact CD1-CG 4.23Å; I515-L580 HydrophobicContact CG2-CD2 3.88Å; I515-L580 HydrophobicContact CG2-CG 3.79Å; V538-L580 HydrophobicContact CG2-CD1 3.76Å; V538-L580 HydrophobicContact CG2-CD2 3.64Å; V538-L580 HydrophobicContact CG2-CG 4.27Å; L541-L580 HydrophobicContact CD1-CD1 4.22Å; T576-L580 HydrophobicContact CG2-CD1 4.43Å; T576-L580 WeakPolarHBondContact O-CB 3.18Å; T576-L580 WeakPolarHBondContact O-CD1 3.33Å; T576-L580 WeakPolarHBondContact O-CG 3.47Å; T576-L580 PolarHBondContact O-N 3.42Å; L577-L580 HydrophobicContact CD2-CD1 4.46Å; K578-L580 VanDerWaalsContact C-N 3.33Å; K578-L580 PolarHBondContact O-N 2.92Å; L580-L582 VanDerWaalsContact C-N 3.31Å; L580-L582 PolarHBondContact O-N 2.78Å; L580-L583 PolarHBondContact O-N 2.67Å; L580-F584 VanDerWaalsContact O-CD2 3.3Å; L580-F584 WeakPolarHBondContact O-CD2 3.35Å; L580-F584 PolarHBondContact O-N 2.85Å
581	Y	98.8	Very high	98.2	Very high	8 Å²	8	11.4 Å²	11.4	3%	0.031	6%	0.06	C	C	.	.	H	α-helix	trans	-64.3	-35.7	-179.2	-168.7	-89.6	0	0	0	112.5	R162 I165 K166 M217 L577 K578 F584 S585 H589	R162-Y581 HydrophobicContact CG-CD2 3.71Å; R162-Y581 HydrophobicContact CG-CE1 4.32Å; R162-Y581 HydrophobicContact CG-CE2 3.44Å; R162-Y581 VanDerWaalsContact CG-CE2 3.44Å; R162-Y581 HydrophobicContact CG-CG 4.28Å; R162-Y581 PolarHBondContact NE-OH 3.39Å; R162-Y581 PolarHBondContact NH2-OH 3.42Å; I165-Y581 HydrophobicContact CG2-CD2 4.32Å; K166-Y581 HydrophobicContact CB-CE2 4.13Å; M217-Y581 HydrophobicContact CB-CE2 4.3Å; M217-Y581 HydrophobicContact CE-CD2 4Å; M217-Y581 HydrophobicContact CE-CG 3.98Å; M217-Y581 HydrophobicContact CG-CD1 4.11Å; M217-Y581 HydrophobicContact CG-CD2 3.72Å; M217-Y581 HydrophobicContact CG-CE1 4.22Å; M217-Y581 HydrophobicContact CG-CE2 3.82Å; M217-Y581 HydrophobicContact CG-CG 3.86Å; M217-Y581 HydrophobicContact SD-CD2 3.93Å; M217-Y581 HydrophobicContact SD-CE2 4.35Å; M217-Y581 HydrophobicContact SD-CG 4.36Å; L577-Y581 VanDerWaalsContact O-CB 3.32Å; L577-Y581 WeakPolarHBondContact O-CB 3.28Å; L577-Y581 PolarHBondContact O-N 3.03Å; K578-Y581 PolarHBondContact O-N 3.1Å; K578-Y581 VanDerWaalsContact O-N 3.14Å; Y581-F584 CarbonylContact O-C 3.57Å; Y581-S585 WeakPolarHBondContact O-CB 3.47Å; Y581-S585 PolarHBondContact O-N 3.48Å; Y581-S585 PolarHBondContact O-OG 3.04Å; Y581-H589 AromaticContact CE1-CE1 3.83Å
582	L	98.7	Very high	98.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-73.8	-37	175.6	-68.4	169.5	0	0	0	112.7	I216 M519 K578 Y579 L580 F584 S585 H589 L590 F597	I216-L582 HydrophobicContact CD1-CD1 4.5Å; I216-L582 HydrophobicContact CD1-CD2 4.22Å; I216-L582 HydrophobicContact CD1-CG 4.33Å; M519-L582 HydrophobicContact CG-CB 4.01Å; K578-L582 HydrophobicContact CG-CD1 4.09Å; K578-L582 WeakPolarHBondContact O-CG 3.34Å; K578-L582 PolarHBondContact O-N 3.12Å; Y579-L582 PolarHBondContact O-N 2.82Å; L580-L582 VanDerWaalsContact C-N 3.31Å; L580-L582 PolarHBondContact O-N 2.78Å; L582-F584 PolarHBondContact O-N 3.44Å; L582-S585 WeakPolarHBondContact O-CB 3.3Å; L582-S585 PolarHBondContact O-N 3.36Å; L582-H589 HydrophobicContact CD2-CB 4.4Å; L582-L590 HydrophobicContact CD1-CD1 4.23Å; L582-L590 HydrophobicContact CD2-CB 4.44Å; L582-L590 HydrophobicContact CD2-CD1 4.25Å; L582-L590 HydrophobicContact CD2-CG 4.49Å; L582-F597 HydrophobicContact CD1-CE1 3.66Å; L582-F597 HydrophobicContact CD1-CZ 3.55Å
583	L	98.6	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.2	-35	172.9	173.8	61.6	0	0	0	112	M519 W522 R531 Y579 L580	M519-L583 HydrophobicContact CB-CB 4.4Å; W522-L583 HydrophobicContact CB-CD1 3.43Å; W522-L583 VanDerWaalsContact CB-CD1 3.43Å; W522-L583 HydrophobicContact CG-CD1 3.74Å; R531-L583 HydrophobicContact CG-CD1 3.8Å; R531-L583 HydrophobicContact CG-CG 4.14Å; R531-L583 PolarHBondContact NE-O 3.35Å; R531-L583 PolarHBondContact NH2-O 2.77Å; R531-L583 VanDerWaalsContact NH2-O 3.09Å; Y579-L583 VanDerWaalsContact O-CB 3.24Å; Y579-L583 WeakPolarHBondContact O-CB 3.47Å; Y579-L583 PolarHBondContact O-N 2.81Å; L580-L583 PolarHBondContact O-N 2.67Å
584	F	98.6	Very high	97.8	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	22.3	172.3	-57	-76.4	0	0	0	113.6	P153 T158 R161 R162 I165 R531 W535 L580 Y581 L582	P153-F584 WeakPolarHBondContact CG-O 3.42Å; T158-F584 HydrophobicContact CG2-CB 4.04Å; T158-F584 HydrophobicContact CG2-CD1 4.4Å; T158-F584 WeakPolarHBondContact CG2-O 3.3Å; R161-F584 HydrophobicContact CB-CD1 3.87Å; R161-F584 HydrophobicContact CB-CD2 4.37Å; R161-F584 HydrophobicContact CB-CE1 4.09Å; R161-F584 HydrophobicContact CB-CG 4.03Å; R161-F584 HydrophobicContact CB-CZ 4.43Å; R161-F584 VanDerWaalsContact CD-CE1 3.41Å; R161-F584 HydrophobicContact CG-CE1 4.4Å; R162-F584 HydrophobicContact CB-CB 3.87Å; R162-F584 WeakPolarHBondContact CB-O 3.47Å; R162-F584 WeakPolarHBondContact CD-O 3.3Å; I165-F584 HydrophobicContact CD1-CD2 3.39Å; I165-F584 HydrophobicContact CD1-CE2 3.9Å; I165-F584 HydrophobicContact CD1-CG 4.38Å; R531-F584 HydrophobicContact CB-CE1 3.83Å; R531-F584 HydrophobicContact CB-CZ 4.43Å; R531-F584 HydrophobicContact CG-CD1 4.12Å; R531-F584 HydrophobicContact CG-CE1 3.82Å; R531-F584 VanDerWaalsContact O-CZ 3.27Å; R531-F584 WeakPolarHBondContact O-CZ 3.32Å; W535-F584 HydrophobicContact CB-CZ 4.09Å; W535-F584 HydrophobicContact CE3-CZ 4.49Å; L580-F584 VanDerWaalsContact O-CD2 3.3Å; L580-F584 WeakPolarHBondContact O-CD2 3.35Å; L580-F584 PolarHBondContact O-N 2.85Å; Y581-F584 CarbonylContact O-C 3.57Å; L582-F584 PolarHBondContact O-N 3.44Å
585	S	97.8	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-101.5	168.6	163.5	-66.9	0	0	0	0	110.5	R162 R531 Y581 L582 H589	R162-S585 PolarHBondContact NH1-OG 3.31Å; R531-S585 PolarHBondContact NH2-O 2.87Å; Y581-S585 WeakPolarHBondContact O-CB 3.47Å; Y581-S585 PolarHBondContact O-N 3.48Å; Y581-S585 PolarHBondContact O-OG 3.04Å; L582-S585 WeakPolarHBondContact O-CB 3.3Å; L582-S585 PolarHBondContact O-N 3.36Å; S585-H589 PolarHBondContact OG-ND1 3.04Å
586	D	95.9	Very high	97.8	Very high	56 Å²	56	20.7 Å²	20.7	30%	0.299	10%	0.104	S	C	.	.			trans	-79.4	164.6	166	-56.7	-44.1	0	0	0	110	P153 R523 D588 H589	P153-D586 WeakPolarHBondContact CA-OD2 3.35Å; R523-D586 PolarHBondContact NH2-O 2.82Å; D586-D588 VanDerWaalsContact C-N 3.3Å; D586-D588 PolarHBondContact O-N 3.11Å; D586-H589 PolarHBondContact O-N 2.94Å
587	D	96.1	Very high	97.8	Very high	51 Å²	51	20.7 Å²	20.7	27%	0.273	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.2	-168.3	-78.4	8.5	0	0	0	114.4	R523 H526 H589	R523-D587 WeakPolarHBondContact CG-OD1 3.39Å; R523-D587 IonicContact CZ-OD1 3.78Å; R523-D587 IonicContact NE-OD1 2.79Å; R523-D587 PolarHBondContact NE-OD1 2.78Å; H526-D587 IonicContact CE1-OD2 2.66Å; H526-D587 PolarHBondContact CE1-OD2 3.05Å; H526-D587 VanDerWaalsContact CE1-OD2 3.28Å; H526-D587 IonicContact NE2-OD2 3.51Å; D587-H589 PolarHBondContact O-N 2.91Å
588	D	95.4	Very high	97.8	Very high	80 Å²	80	20.7 Å²	20.7	43%	0.428	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.3	172.3	71.7	-10.3	0	0	0	113.7	G147 H151 D586 P591	G147-D588 WeakPolarHBondContact CA-O 3.36Å; H151-D588 IonicContact CD2-OD2 3.78Å; H151-D588 PolarHBondContact CD2-OD2 2.92Å; D586-D588 VanDerWaalsContact C-N 3.3Å; D586-D588 PolarHBondContact O-N 3.11Å; D588-P591 WeakPolarHBondContact O-CD 3.35Å
589	H	97.3	Very high	97.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.111	C	C	.	.	S	Bend	trans	-88.1	111.1	173.4	-163.8	-174.5	0	0	0	110.7	G147 G150 I216 R523 Y581 L582 S585 D586 D587	G147-H589 PolarHBondContact O-CD2 2.69Å; G150-H589 VanDerWaalsContact CA-CG 3.47Å; G150-H589 PolarHBondContact N-CD2 3.13Å; G150-H589 PolarHBondContact N-NE2 2.84Å; G150-H589 VanDerWaalsContact N-NE2 3.13Å; I216-H589 PolarHBondContact O-CE1 2.82Å; I216-H589 VanDerWaalsContact O-CE1 3.32Å; R523-H589 PolarHBondContact NH1-O 3.2Å; R523-H589 PolarHBondContact NH2-O 3.23Å; Y581-H589 AromaticContact CE1-CE1 3.83Å; L582-H589 HydrophobicContact CD2-CB 4.4Å; S585-H589 PolarHBondContact OG-ND1 3.04Å; D586-H589 PolarHBondContact O-N 2.94Å; D587-H589 PolarHBondContact O-N 2.91Å
590	L	97.9	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	48.5	64.9	-169.4	-57.1	-179.7	0	0	0	112.9	G147 I216 L261 R523 L582 W595 F597 P603	G147-L590 PolarHBondContact O-N 2.87Å; I216-L590 HydrophobicContact CD1-CD1 4Å; I216-L590 HydrophobicContact CG2-CD1 4.2Å; L261-L590 HydrophobicContact CD2-CD2 4.08Å; R523-L590 PolarHBondContact NH1-O 3.39Å; L582-L590 HydrophobicContact CD1-CD1 4.23Å; L582-L590 HydrophobicContact CD2-CB 4.44Å; L582-L590 HydrophobicContact CD2-CD1 4.25Å; L582-L590 HydrophobicContact CD2-CG 4.49Å; L590-W595 HydrophobicContact CB-CG 4.41Å; L590-W595 HydrophobicContact CD2-CD2 3.91Å; L590-W595 HydrophobicContact CD2-CG 4.12Å; L590-W595 HydrophobicContact CD2-CZ2 4.03Å; L590-F597 HydrophobicContact CB-CE2 4.4Å; L590-F597 HydrophobicContact CB-CZ 3.78Å; L590-F597 HydrophobicContact CD1-CE1 3.75Å; L590-F597 HydrophobicContact CD1-CZ 3.63Å; L590-F597 HydrophobicContact CG-CZ 4.38Å; L590-P603 HydrophobicContact CD1-CB 3.98Å; L590-P603 HydrophobicContact CD1-CG 3.85Å; L590-P603 HydrophobicContact CD2-CB 4.3Å; L590-P603 HydrophobicContact CD2-CG 4.31Å
591	P	97.6	Very high	97.7	Very high	17 Å²	17	22.1 Å²	22.1	11%	0.11	11%	0.112	C	C	.	.			trans	-71.8	141.7	-177.5	28.1	-33.2	0	0	0	111.8	D588 E593 H594 W595	D588-P591 WeakPolarHBondContact O-CD 3.35Å; P591-E593 VanDerWaalsContact C-N 3.25Å; P591-E593 WeakPolarHBondContact CB-OE2 3.24Å; P591-E593 PolarHBondContact O-N 3.19Å; P591-H594 HydrophobicContact CG-CB 4.28Å; P591-H594 PolarHBondContact O-N 2.9Å; P591-W595 PolarHBondContact O-N 2.94Å
592	F	96.6	Very high	97.7	Very high	35 Å²	35	21.8 Å²	21.8	15%	0.154	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.5	-170.7	-59.8	-37.8	0	0	0	114.1	M519 Y520 R523 F524 H594 F597	M519-F592 HydrophobicContact CE-CE1 4.19Å; M519-F592 HydrophobicContact CE-CZ 3.99Å; M519-F592 HydrophobicContact SD-CE1 4.28Å; M519-F592 HydrophobicContact SD-CZ 3.82Å; Y520-F592 AromaticContact CD1-CE1 3.98Å; Y520-F592 HydrophobicContact CD1-CE1 3.98Å; Y520-F592 AromaticContact CD1-CE2 3.73Å; Y520-F592 HydrophobicContact CD1-CE2 3.73Å; Y520-F592 AromaticContact CD1-CZ 3.31Å; Y520-F592 HydrophobicContact CD1-CZ 3.31Å; Y520-F592 HydrophobicContact CE1-CD1 4.25Å; Y520-F592 AromaticContact CE1-CE1 3.51Å; Y520-F592 HydrophobicContact CE1-CE1 3.51Å; Y520-F592 HydrophobicContact CE1-CE2 4.01Å; Y520-F592 AromaticContact CE1-CZ 3.37Å; Y520-F592 HydrophobicContact CE1-CZ 3.37Å; Y520-F592 HydrophobicContact CG-CZ 4.38Å; R523-F592 HydrophobicContact CB-CE2 3.84Å; R523-F592 HydrophobicContact CB-CZ 4.36Å; R523-F592 HydrophobicContact CG-CE2 4.3Å; R523-F592 HydrophobicContact CG-CZ 4.38Å; F524-F592 AromaticContact CE1-CD2 3.98Å; F524-F592 HydrophobicContact CE1-CD2 3.98Å; F524-F592 HydrophobicContact CE1-CE2 4.26Å; F524-F592 HydrophobicContact CE2-CD2 4.29Å; F524-F592 AromaticContact CE2-CE2 3.93Å; F524-F592 HydrophobicContact CE2-CE2 3.93Å; F524-F592 AromaticContact CZ-CD2 3.59Å; F524-F592 HydrophobicContact CZ-CD2 3.59Å; F524-F592 AromaticContact CZ-CE2 3.7Å; F524-F592 HydrophobicContact CZ-CE2 3.7Å; F592-H594 PolarHBondContact O-N 3.47Å; F592-F597 HydrophobicContact CD1-CE2 4.23Å; F592-F597 HydrophobicContact CE1-CD2 4.24Å; F592-F597 AromaticContact CE1-CE2 3.88Å; F592-F597 HydrophobicContact CE1-CE2 3.88Å
593	E	95.1	Very high	97.7	Very high	131 Å²	131	21.8 Å²	21.8	61%	0.612	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.3	172.1	-57.9	74.9	-167.2	0	0	112.2	P591 R608	P591-E593 VanDerWaalsContact C-N 3.25Å; P591-E593 WeakPolarHBondContact CB-OE2 3.24Å; P591-E593 PolarHBondContact O-N 3.19Å; E593-R608 PolarHBondContact O-NH2 2.98Å
594	H	97.4	Very high	97.7	Very high	46 Å²	46	21.8 Å²	21.8	21%	0.213	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-26.4	-176.3	-70.9	-89.3	0	0	0	113.7	P146 P591 F592 P605 V606 R608	P146-H594 WeakPolarHBondContact CD-ND1 3.48Å; P591-H594 HydrophobicContact CG-CB 4.28Å; P591-H594 PolarHBondContact O-N 2.9Å; F592-H594 PolarHBondContact O-N 3.47Å; H594-P605 CarbonylContact O-C 3.41Å; H594-P605 VanDerWaalsContact O-CA 3.25Å; H594-P605 WeakPolarHBondContact O-CA 3.42Å; H594-V606 PolarHBondContact O-N 2.97Å; H594-R608 PolarHBondContact CE1-NH1 3.19Å; H594-R608 PolarHBondContact CE1-NH2 3.41Å; H594-R608 PolarHBondContact ND1-NH2 3.31Å
595	W	98.5	Very high	97.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.4	-174.3	-58.2	91.2	0	0	0	113.2	P145 P146 A148 L261 L590 P591 P603 P605	P145-W595 HydrophobicContact CB-CH2 3.93Å; P145-W595 HydrophobicContact CB-CZ2 3.51Å; P145-W595 HydrophobicContact CG-CH2 3.6Å; P145-W595 HydrophobicContact CG-CZ2 3.74Å; P145-W595 HydrophobicContact CG-CZ3 4.24Å; P146-W595 PolarHBondContact O-NE1 3.27Å; A148-W595 HydrophobicContact CB-CZ2 3.99Å; L261-W595 HydrophobicContact CD2-CH2 3.65Å; L261-W595 HydrophobicContact CD2-CZ2 3.99Å; L261-W595 HydrophobicContact CD2-CZ3 4.37Å; L261-W595 HydrophobicContact CG-CH2 4.28Å; L590-W595 HydrophobicContact CB-CG 4.41Å; L590-W595 HydrophobicContact CD2-CD2 3.91Å; L590-W595 HydrophobicContact CD2-CG 4.12Å; L590-W595 HydrophobicContact CD2-CZ2 4.03Å; P591-W595 PolarHBondContact O-N 2.94Å; W595-P603 HydrophobicContact CB-CB 4.39Å; W595-P603 HydrophobicContact CD2-CB 4.25Å; W595-P603 HydrophobicContact CE3-CB 3.76Å; W595-P603 HydrophobicContact CE3-CG 4.47Å; W595-P603 VanDerWaalsContact CE3-O 3.27Å; W595-P603 HydrophobicContact CZ3-CB 4.35Å; W595-P603 WeakPolarHBondContact CZ3-O 3.44Å; W595-P605 HydrophobicContact CE3-CB 4.12Å; W595-P605 HydrophobicContact CZ3-CB 4.17Å; W595-P605 HydrophobicContact CZ3-CG 4.4Å
596	V	98.6	Very high	97.7	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.6	169.5	179.4	0	0	0	0	107.7	L321 K387 L390 M391 N598 L604 V606	L321-V596 HydrophobicContact CD1-CG1 4.37Å; K387-V596 HydrophobicContact CB-CG1 3.64Å; K387-V596 HydrophobicContact CD-CG1 4.04Å; K387-V596 HydrophobicContact CG-CG1 3.81Å; L390-V596 HydrophobicContact CB-CG2 4Å; M391-V596 HydrophobicContact CB-CB 4.36Å; M391-V596 HydrophobicContact CB-CG2 4.14Å; V596-N598 PolarHBondContact O-N 3.14Å; V596-L604 PolarHBondContact N-O 2.89Å; V596-L604 PolarHBondContact O-N 3.09Å; V596-V606 HydrophobicContact CG2-CG2 4.28Å
597	F	98.8	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.4	173.8	-65.9	-93.7	0	0	0	109.9	K387 K578 Y579 L582 L590 F592 A601 P603	K387-F597 WeakPolarHBondContact CD-O 3.44Å; K387-F597 VanDerWaalsContact CE-O 3.24Å; K387-F597 WeakPolarHBondContact CE-O 3.33Å; K387-F597 PolarHBondContact NZ-O 3.4Å; K578-F597 HydrophobicContact CD-CE1 4.37Å; Y579-F597 HydrophobicContact CE1-CD1 4.21Å; Y579-F597 HydrophobicContact CE1-CG 4.42Å; L582-F597 HydrophobicContact CD1-CE1 3.66Å; L582-F597 HydrophobicContact CD1-CZ 3.55Å; L590-F597 HydrophobicContact CB-CE2 4.4Å; L590-F597 HydrophobicContact CB-CZ 3.78Å; L590-F597 HydrophobicContact CD1-CE1 3.75Å; L590-F597 HydrophobicContact CD1-CZ 3.63Å; L590-F597 HydrophobicContact CG-CZ 4.38Å; F592-F597 HydrophobicContact CD1-CE2 4.23Å; F592-F597 HydrophobicContact CE1-CD2 4.24Å; F592-F597 AromaticContact CE1-CE2 3.88Å; F592-F597 HydrophobicContact CE1-CE2 3.88Å; F597-A601 WeakPolarHBondContact CD1-O 3.36Å; F597-P603 HydrophobicContact CD1-CB 4.12Å; F597-P603 HydrophobicContact CE1-CB 3.97Å; F597-P603 HydrophobicContact CE1-CG 4.49Å; F597-P603 HydrophobicContact CZ-CB 4.39Å
598	N	98.8	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.			trans	-68.7	-179.9	169.3	101.9	-34.3	0	0	0	110.9	I249 L321 E322 Y384 V596 E600 A601 H602 L604	I249-N598 PolarHBondContact O-ND2 3.37Å; L321-N598 HydrophobicContact CD1-CB 4.25Å; E322-N598 WeakPolarHBondContact OE1-CB 3.49Å; E322-N598 PolarHBondContact OE1-ND2 3.36Å; Y384-N598 VanDerWaalsContact OH-CB 3.27Å; Y384-N598 WeakPolarHBondContact OH-CB 3.35Å; V596-N598 PolarHBondContact O-N 3.14Å; N598-E600 PolarHBondContact O-N 2.9Å; N598-E600 VanDerWaalsContact OD1-C 3.29Å; N598-E600 WeakPolarHBondContact OD1-CA 3.23Å; N598-E600 PolarHBondContact OD1-N 3.27Å; N598-A601 PolarHBondContact O-N 3.31Å; N598-A601 PolarHBondContact OD1-N 3.49Å; N598-H602 HydrophobicContact CB-CB 4.5Å; N598-H602 PolarHBondContact N-O 3.45Å; N598-H602 VanDerWaalsContact OD1-CB 3.29Å; N598-H602 WeakPolarHBondContact OD1-CB 3.5Å; N598-H602 PolarHBondContact OD1-N 2.94Å; N598-L604 HydrophobicContact CB-CD1 4.09Å
599	T	98.6	Very high	96.5	Very high	24 Å²	24	28.8 Å²	28.8	15%	0.147	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.1	-175.2	-158.7	0	0	0	0	113.6	F245 I249 T318 S380 E383 Y384	F245-T599 HydrophobicContact CE2-CG2 4.45Å; I249-T599 HydrophobicContact CB-CG2 3.69Å; I249-T599 HydrophobicContact CD1-CG2 3.86Å; I249-T599 HydrophobicContact CG1-CG2 4.27Å; I249-T599 HydrophobicContact CG2-CG2 3.48Å; I249-T599 VanDerWaalsContact CG2-CG2 3.48Å; T318-T599 HydrophobicContact CG2-CG2 3.55Å; S380-T599 WeakPolarHBondContact CB-OG1 3.39Å; E383-T599 WeakPolarHBondContact OE1-CA 3.44Å; E383-T599 VanDerWaalsContact OE2-CB 3.31Å; E383-T599 WeakPolarHBondContact OE2-CB 3.41Å; E383-T599 PolarHBondContact OE2-OG1 3.35Å; Y384-T599 HydrophobicContact CE1-CG2 4.49Å; Y384-T599 PolarHBondContact OH-N 2.91Å
600	E	98.8	Very high	94.7	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.028	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	36.7	174.7	-167	120.4	173.5	0	0	110.3	I249 R250 F571 A574 E575 N598 H602	I249-E600 HydrophobicContact CB-CB 4.37Å; I249-E600 HydrophobicContact CG1-CB 4.23Å; R250-E600 VanDerWaalsContact CG-CD 3.41Å; R250-E600 HydrophobicContact CG-CG 4.1Å; R250-E600 WeakPolarHBondContact CG-OE1 3.42Å; R250-E600 WeakPolarHBondContact CG-OE2 3.28Å; R250-E600 VanDerWaalsContact CZ-CD 3.48Å; R250-E600 IonicContact CZ-OE1 2.75Å; R250-E600 IonicContact CZ-OE2 3.82Å; R250-E600 IonicContact NE-OE1 3.4Å; R250-E600 IonicContact NE-OE2 3.6Å; R250-E600 PolarHBondContact NE-OE2 3.16Å; R250-E600 IonicContact NH1-OE1 2.68Å; R250-E600 PolarHBondContact NH1-OE1 2.89Å; R250-E600 IonicContact NH1-OE2 2.75Å; R250-E600 PolarHBondContact NH1-OE2 3.01Å; R250-E600 IonicContact NH2-OE1 3.32Å; R250-E600 IonicContact NH2-OE2 2.79Å; R250-E600 PolarHBondContact NH2-OE2 3.39Å; F571-E600 WeakPolarHBondContact CB-OE1 3.46Å; A574-E600 HydrophobicContact CB-CG 4.27Å; E575-E600 VanDerWaalsContact CD-CA 3.49Å; E575-E600 HydrophobicContact CG-CG 4.07Å; N598-E600 PolarHBondContact O-N 2.9Å; N598-E600 VanDerWaalsContact OD1-C 3.29Å; N598-E600 WeakPolarHBondContact OD1-CA 3.23Å; N598-E600 PolarHBondContact OD1-N 3.27Å; E600-H602 PolarHBondContact O-CD2 2.96Å; E600-H602 VanDerWaalsContact O-CD2 3.29Å; E600-H602 PolarHBondContact O-N 3.13Å; E600-H602 VanDerWaalsContact O-N 3.09Å
601	A	98.8	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	55	22.9	177.8	0	0	0	0	0	116.7	E575 K578 Y579 F597 N598 P603	E575-A601 HydrophobicContact CB-CB 3.86Å; E575-A601 HydrophobicContact CG-CB 3.64Å; E575-A601 PolarHBondContact OE2-N 3.42Å; K578-A601 HydrophobicContact CD-CB 3.88Å; K578-A601 WeakPolarHBondContact CD-O 3.39Å; K578-A601 WeakPolarHBondContact CE-O 3.42Å; K578-A601 PolarHBondContact NZ-O 2.94Å; Y579-A601 HydrophobicContact CD2-CB 4.31Å; Y579-A601 HydrophobicContact CE1-CB 3.89Å; Y579-A601 HydrophobicContact CE2-CB 3.54Å; Y579-A601 WeakPolarHBondContact OH-CA 3.47Å; Y579-A601 VanDerWaalsContact OH-CB 3.3Å; Y579-A601 WeakPolarHBondContact OH-CB 3.1Å; F597-A601 WeakPolarHBondContact CD1-O 3.36Å; N598-A601 PolarHBondContact O-N 3.31Å; N598-A601 PolarHBondContact OD1-N 3.49Å; A601-P603 WeakPolarHBondContact O-CD 3.39Å
602	H	98.9	Very high	89.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.			trans	-86.3	116.2	178.1	-64.3	-59.4	0	0	0	111.3	D209 D212 I249 G254 S257 N598 E600 L604	D209-H602 PolarHBondContact O-CE1 2.82Å; D212-H602 IonicContact OD1-CE1 3.67Å; D212-H602 IonicContact OD1-ND1 2.67Å; D212-H602 PolarHBondContact OD1-ND1 3.45Å; D212-H602 WeakPolarHBondContact OD2-CA 3.47Å; D212-H602 IonicContact OD2-CE1 2.69Å; D212-H602 IonicContact OD2-CG 2.65Å; D212-H602 IonicContact OD2-ND1 2.65Å; D212-H602 PolarHBondContact OD2-ND1 2.97Å; I249-H602 PolarHBondContact O-CD2 3.4Å; I249-H602 VanDerWaalsContact O-CD2 3.28Å; G254-H602 PolarHBondContact N-CD2 2.79Å; S257-H602 WeakPolarHBondContact OG-CB 3.38Å; N598-H602 HydrophobicContact CB-CB 4.5Å; N598-H602 PolarHBondContact N-O 3.45Å; N598-H602 VanDerWaalsContact OD1-CB 3.29Å; N598-H602 WeakPolarHBondContact OD1-CB 3.5Å; N598-H602 PolarHBondContact OD1-N 2.94Å; E600-H602 PolarHBondContact O-CD2 2.96Å; E600-H602 VanDerWaalsContact O-CD2 3.29Å; E600-H602 PolarHBondContact O-N 3.13Å; E600-H602 VanDerWaalsContact O-N 3.09Å; H602-L604 PolarHBondContact O-N 3.5Å
603	P	98.7	Very high	86.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.8	-172.6	31.9	-34.5	0	0	0	112.1	D212 S257 L261 L590 W595 F597 A601	D212-P603 WeakPolarHBondContact OD2-CD 3.35Å; S257-P603 PolarHBondContact OG-O 2.76Å; L261-P603 HydrophobicContact CD1-CG 4.45Å; L590-P603 HydrophobicContact CD1-CB 3.98Å; L590-P603 HydrophobicContact CD1-CG 3.85Å; L590-P603 HydrophobicContact CD2-CB 4.3Å; L590-P603 HydrophobicContact CD2-CG 4.31Å; W595-P603 HydrophobicContact CB-CB 4.39Å; W595-P603 HydrophobicContact CD2-CB 4.25Å; W595-P603 HydrophobicContact CE3-CB 3.76Å; W595-P603 HydrophobicContact CE3-CG 4.47Å; W595-P603 VanDerWaalsContact CE3-O 3.27Å; W595-P603 HydrophobicContact CZ3-CB 4.35Å; W595-P603 WeakPolarHBondContact CZ3-O 3.44Å; F597-P603 HydrophobicContact CD1-CB 4.12Å; F597-P603 HydrophobicContact CE1-CB 3.97Å; F597-P603 HydrophobicContact CE1-CG 4.49Å; F597-P603 HydrophobicContact CZ-CB 4.39Å; A601-P603 WeakPolarHBondContact O-CD 3.39Å
604	L	98.7	Very high	83.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.2	176.7	-60.5	174.4	0	0	0	110.2	L256 S257 Y260 L321 V596 N598 H602	L256-L604 HydrophobicContact CB-CD2 3.59Å; L256-L604 HydrophobicContact CD1-CD2 4.13Å; S257-L604 WeakPolarHBondContact OG-CD2 3.46Å; Y260-L604 HydrophobicContact CD2-CD2 4.4Å; Y260-L604 HydrophobicContact CE2-CD2 4.41Å; L321-L604 HydrophobicContact CB-CD1 3.77Å; V596-L604 PolarHBondContact N-O 2.89Å; V596-L604 PolarHBondContact O-N 3.09Å; N598-L604 HydrophobicContact CB-CD1 4.09Å; H602-L604 PolarHBondContact O-N 3.5Å
605	P	98.1	Very high	80.8	Confident	15 Å²	15	56.4 Å²	56.4	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	144.6	-173	30.7	-34.5	0	0	0	113.1	P145 Y260 H325 H594 W595 I607	P145-P605 HydrophobicContact CB-CB 4.14Å; P145-P605 HydrophobicContact CG-CB 3.72Å; P145-P605 HydrophobicContact CG-CG 4.13Å; Y260-P605 HydrophobicContact CD1-CG 3.59Å; Y260-P605 HydrophobicContact CD2-CG 3.79Å; Y260-P605 HydrophobicContact CE1-CG 3.79Å; Y260-P605 HydrophobicContact CE2-CG 3.98Å; Y260-P605 HydrophobicContact CG-CG 3.6Å; H325-P605 PolarHBondContact CE1-O 3.31Å; H325-P605 PolarHBondContact NE2-O 3.08Å; H594-P605 CarbonylContact O-C 3.41Å; H594-P605 VanDerWaalsContact O-CA 3.25Å; H594-P605 WeakPolarHBondContact O-CA 3.42Å; W595-P605 HydrophobicContact CE3-CB 4.12Å; W595-P605 HydrophobicContact CZ3-CB 4.17Å; W595-P605 HydrophobicContact CZ3-CG 4.4Å; P605-I607 PolarHBondContact O-N 3.23Å
606	V	97.9	Very high	77.9	Confident	19 Å²	19	63.6 Å²	63.6	12%	0.115	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-55.1	125.6	179.1	177.2	0	0	0	0	111.4	D393 H594 V596 R608	D393-V606 HydrophobicContact CB-CG1 3.85Å; H594-V606 PolarHBondContact O-N 2.97Å; V596-V606 HydrophobicContact CG2-CG2 4.28Å; V606-R608 VanDerWaalsContact C-N 3.25Å; V606-R608 HydrophobicContact CB-CG 4.44Å; V606-R608 HydrophobicContact CG1-CG 3.89Å; V606-R608 PolarHBondContact O-N 3.39Å
607	I	95.4	Very high	74.8	Confident	38 Å²	38	72.7 Å²	72.7	20%	0.195	37%	0.374	C	S	.	.			trans	-79.6	75.6	176.2	-56	-179.8	0	0	0	108.7	M324 K328 M391 P605	M324-I607 HydrophobicContact CB-CD1 4.4Å; K328-I607 HydrophobicContact CD-CD1 4.29Å; K328-I607 HydrophobicContact CD-CG1 4.15Å; K328-I607 HydrophobicContact CD-CG2 3.96Å; M391-I607 HydrophobicContact CE-CD1 4.28Å; M391-I607 HydrophobicContact CG-CD1 4.44Å; M391-I607 HydrophobicContact CG-CG1 4.32Å; M391-I607 PolarHBondContact O-N 3.36Å; M391-I607 HydrophobicContact SD-CD1 4.39Å; P605-I607 PolarHBondContact O-N 3.23Å
608	R	90.4	Very high	71.9	Confident	108 Å²	108	79.3 Å²	79.3	41%	0.408	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.1	170.9	-55	-168.3	177	162.7	0.3	111	D393 E593 H594 V606	D393-R608 HydrophobicContact CB-CG 4.35Å; D393-R608 WeakPolarHBondContact OD2-CA 3.42Å; D393-R608 WeakPolarHBondContact OD2-CB 3.41Å; D393-R608 WeakPolarHBondContact OD2-CG 3.35Å; E593-R608 PolarHBondContact O-NH2 2.98Å; H594-R608 PolarHBondContact CE1-NH1 3.19Å; H594-R608 PolarHBondContact CE1-NH2 3.41Å; H594-R608 PolarHBondContact ND1-NH2 3.31Å; V606-R608 VanDerWaalsContact C-N 3.25Å; V606-R608 HydrophobicContact CB-CG 4.44Å; V606-R608 HydrophobicContact CG1-CG 3.89Å; V606-R608 PolarHBondContact O-N 3.39Å
609	K	75.1	Confident	68.8	Low	155 Å²	155	91.8 Å²	91.8	67%	0.674	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-75.4	141.6	168.7	-69.6	-177.6	178.7	177.3	0	110.2	K611	K609-K611 PolarHBondContact O-N 3.43Å
610	D	60.1	Low	67.3	Low	125 Å²	125	95.2 Å²	95.2	67%	0.668	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-68.4	131.6	173.3	-67.6	-52.3	0	0	0	110.4	T612 D613	D610-T612 PolarHBondContact O-N 3.03Å; D610-D613 PolarHBondContact O-N 3.28Å
611	K	47.6	Very low	65.7	Low	202 Å²	202	99.9 Å²	99.9	88%	0.878	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-68.4	-3.5	-175.3	-68.8	-172.1	175.8	-175.2	0	114.1	K609 D613 T614	K609-K611 PolarHBondContact O-N 3.43Å; K611-D613 VanDerWaalsContact C-N 3.32Å; K611-T614 PolarHBondContact O-OG1 3.29Å
612	T	42	Very low	63.8	Low	119 Å²	119	105.4 Å²	105.4	73%	0.73	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-77.4	-14.3	177.9	47.6	0	0	0	0	113.8	D610 T614	D610-T612 PolarHBondContact O-N 3.03Å; T612-T614 VanDerWaalsContact C-N 3.28Å; T612-T614 PolarHBondContact O-N 2.98Å
613	D	34.8	Very low	61.8	Low	145 Å²	145	111.6 Å²	111.6	78%	0.775	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-85.1	10.8	-179.2	-88.8	8.1	0	0	0	114.1	D610 K611 P615	D610-D613 PolarHBondContact O-N 3.28Å; K611-D613 VanDerWaalsContact C-N 3.32Å; D613-P615 WeakPolarHBondContact O-CD 3.4Å
614	T	31.1	Very low	59.5	Low	104 Å²	104	118.6 Å²	118.6	64%	0.638	61%	0.609	S	S	*	*	S	Bend	trans	-69.6	118.8	158.6	45.2	0	0	0	0	108.8	K611 T612 N616	K611-T614 PolarHBondContact O-OG1 3.29Å; T612-T614 VanDerWaalsContact C-N 3.28Å; T612-T614 PolarHBondContact O-N 2.98Å; T614-N616 PolarHBondContact O-N 2.97Å
615	P	37.4	Very low	56.8	Low	115 Å²	115	126.5 Å²	126.5	75%	0.747	65%	0.649	S	S	*	*			trans	-58.3	137.5	166	-16.4	30.7	0	0	0	108.2	D613 E617	D613-P615 WeakPolarHBondContact O-CD 3.4Å; P615-E617 PolarHBondContact O-N 3.07Å
616	N	36.7	Very low	53.9	Low	153 Å²	153	134.5 Å²	134.5	82%	0.818	69%	0.689	S	S	*	*			trans	-59	113.7	169.5	-69.5	-34	0	0	0	108.1	T614 V618	T614-N616 PolarHBondContact O-N 2.97Å; N616-V618 PolarHBondContact O-N 2.93Å; N616-V618 VanDerWaalsContact O-N 3.14Å
617	E	34.2	Very low	50.5	Low	199 Å²	199	143.4 Å²	143.4	93%	0.93	73%	0.733	S	S	*	*			trans	-62.8	114.4	165.7	-67.3	-172.6	140.4	0	0	107	P615	P615-E617 PolarHBondContact O-N 3.07Å
618	V	38.4	Very low	46.8	Very low	138 Å²	138	152.2 Å²	152.2	84%	0.836	78%	0.778	S	S	*	*			trans	-80.4	136.7	174.5	-179.4	0	0	0	0	107.7	N616	N616-V618 PolarHBondContact O-N 2.93Å; N616-V618 VanDerWaalsContact O-N 3.14Å
619	E	33.3	Very low	42.8	Very low	263 Å²	263	156.2 Å²	156.2	100%	1.229	81%	0.811	S	S	*	*			trans	-51.7	0	-177.3	-58.9	178.8	118.7	0	0	114.7

Retrieved 619 of 619 residues in 678.4 ms (Link to these results)

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