A0A087Y8Q8_POEFO Loading...

X-prolyl aminopeptidase 3, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y8Q8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	29.4	Very low	254 Å²	254	153.7 Å²	153.7	100%	1.251	87%	0.871	S	S	*	*				0	130.5	0	-74.9	178.6	-174.2	0	0	108
2	L	24.7	Very low	29.4	Very low	169 Å²	169	149 Å²	149	89%	0.885	87%	0.865	S	S	*	*			trans	-87.2	141.9	-172.8	-81.1	146.4	0	0	0	112
3	S	30.4	Very low	29.3	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	86%	0.864	S	S	*	*			trans	66.1	162.1	145.9	-93.3	0	0	0	0	120.6
4	P	42.3	Very low	29.2	Very low	123 Å²	123	154.6 Å²	154.6	80%	0.799	87%	0.866	S	S	*	*			cis	-132.8	171	17.3	33.8	-11.9	0	0	0	118.3
5	A	31.5	Very low	29.4	Very low	96 Å²	96	155.3 Å²	155.3	79%	0.793	87%	0.866	S	S	*	*			trans	-48.9	152.3	173.2	0	0	0	0	0	115.7
6	C	26	Very low	29.3	Very low	129 Å²	129	155.8 Å²	155.8	87%	0.872	87%	0.865	S	S	*	*			trans	-131.8	140.2	155.5	-142.7	0	0	0	0	110.8
7	S	26.2	Very low	29.4	Very low	102 Å²	102	153.5 Å²	153.5	71%	0.713	86%	0.859	S	S	*	*			trans	-68.7	150.3	-160.1	47.5	0	0	0	0	116.8
8	F	27.5	Very low	29.6	Very low	211 Å²	211	158.3 Å²	158.3	93%	0.925	86%	0.861	S	S	*	*			trans	-58.5	131.2	165.2	-74	-95.8	0	0	0	112.7
9	T	25.5	Very low	29.4	Very low	131 Å²	131	163.2 Å²	163.2	80%	0.804	87%	0.866	S	S	*	*			trans	-120.9	110.8	154.4	45	0	0	0	0	109.4
10	R	31.4	Very low	29.9	Very low	247 Å²	247	161.2 Å²	161.2	93%	0.932	86%	0.86	S	S	*	*			trans	-57.6	133.8	164.1	-83.5	176.5	168	178.9	-3.7	109
11	S	24.5	Very low	29.9	Very low	119 Å²	119	165.3 Å²	165.3	83%	0.832	86%	0.864	S	S	*	*			trans	-130.9	115.9	157.2	-85.8	0	0	0	0	109.4
12	A	29.5	Very low	29.8	Very low	97 Å²	97	158.1 Å²	158.1	80%	0.802	85%	0.845	S	S	*	*			trans	-68.9	138.9	174.9	0	0	0	0	0	110.2	R14	A12-R14 PolarHBondContact O-N 3.41Å
13	V	27.9	Very low	30.3	Very low	141 Å²	141	154.2 Å²	154.2	86%	0.855	85%	0.845	S	S	*	*			trans	-71.7	113.8	169.4	177.8	0	0	0	0	108.2
14	R	27.7	Very low	30.1	Very low	235 Å²	235	152.4 Å²	152.4	89%	0.887	84%	0.844	S	S	*	*			trans	-101.5	113.9	166.6	-116.1	-178.2	-179.8	-165.5	0.5	108.3	A12 L16	A12-R14 PolarHBondContact O-N 3.41Å; R14-L16 PolarHBondContact O-N 3.25Å
15	L	32	Very low	29.6	Very low	166 Å²	166	151.5 Å²	151.5	87%	0.869	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-68.8	120.2	164.8	-79.3	154.6	0	0	0	108.4
16	L	27.8	Very low	29.7	Very low	163 Å²	163	151.1 Å²	151.1	85%	0.853	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-75.3	139.8	170	-80.9	162.1	0	0	0	109.9	R14	R14-L16 PolarHBondContact O-N 3.25Å
17	P	30.9	Very low	30.1	Very low	117 Å²	117	153 Å²	153	76%	0.76	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-78	154.5	-174.5	30.5	-32.5	0	0	0	113.3
18	R	33.1	Very low	30.3	Very low	240 Å²	240	153.1 Å²	153.1	91%	0.906	83%	0.825	S	S	*	*			trans	-39.3	129.5	175.9	-89.4	176.1	161.1	176.5	-4.3	113.7
19	R	26.8	Very low	30.5	Very low	250 Å²	250	153.4 Å²	153.4	94%	0.943	82%	0.82	S	S	*	*			trans	-107.3	114.6	148.6	-92.3	-176.2	168.1	-175.2	-2.7	109.2
20	T	39.2	Very low	30.8	Very low	123 Å²	123	156.3 Å²	156.3	76%	0.755	82%	0.824	S	S	*	*			trans	-74.8	126.8	169.6	44.3	0	0	0	0	110.2
21	R	29	Very low	30.9	Very low	249 Å²	249	148.4 Å²	148.4	94%	0.94	80%	0.799	S	S	*	*			trans	-160.9	124.3	141.3	-110.5	174.8	-174.4	-165	0.6	111.7
22	A	32.4	Very low	31.2	Very low	102 Å²	102	148 Å²	148	84%	0.843	80%	0.797	S	S	*	*			trans	14.7	132.5	158.7	0	0	0	0	0	122
23	G	35.2	Very low	31.5	Very low	87 Å²	87	146 Å²	146	90%	0.897	77%	0.774	S	S	*	*			trans	79.7	71.2	138.6	0	0	0	0	0	117.1
24	G	26.5	Very low	31.8	Very low	72 Å²	72	148 Å²	148	74%	0.742	77%	0.772	S	S	*	*			trans	-154.3	135.6	169.8	0	0	0	0	0	111.7	A26	G24-A26 PolarHBondContact O-N 2.99Å
25	C	30.3	Very low	32.3	Very low	105 Å²	105	141.7 Å²	141.7	71%	0.709	76%	0.761	S	S	*	*			trans	-52.2	128.6	176.2	-173.6	0	0	0	0	110.6	W27	C25-W27 PolarHBondContact O-N 3.5Å
26	A	33.3	Very low	32.8	Very low	87 Å²	87	136.4 Å²	136.4	72%	0.719	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	3.2	-171.5	0	0	0	0	0	115.3	G24	G24-A26 PolarHBondContact O-N 2.99Å
27	W	34.7	Very low	33.4	Very low	169 Å²	169	137 Å²	137	64%	0.64	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-9	-167.1	-72.8	73.9	0	0	0	115.3	C25	C25-W27 PolarHBondContact O-N 3.5Å
28	C	30.6	Very low	34.2	Very low	105 Å²	105	137.1 Å²	137.1	71%	0.709	74%	0.744	S	S	*	*			trans	-117.5	62.6	-177.4	-63.3	0	0	0	0	112.8
29	R	32.1	Very low	35	Very low	216 Å²	216	134.9 Å²	134.9	82%	0.815	74%	0.741	S	S	*	*			trans	-93.8	108.2	165.1	-70.2	-173.2	179.6	-179.6	3.8	109.1	I31	R29-I31 PolarHBondContact O-N 3.37Å
30	H	31.1	Very low	36.4	Very low	193 Å²	193	128.9 Å²	128.9	89%	0.894	73%	0.734	S	S	*	*			trans	-64.8	103.5	167.8	-75.1	-74.9	0	0	0	109.2	S32	H30-S32 PolarHBondContact O-N 3.37Å
31	I	35.3	Very low	37.9	Very low	80 Å²	80	128.6 Å²	128.6	41%	0.41	72%	0.722	S	S	.	*			trans	-87.4	105.8	172	-60.1	154.5	0	0	0	106.5	R29 V33 K80 L83	R29-I31 PolarHBondContact O-N 3.37Å; I31-V33 HydrophobicContact CG2-CG2 3.88Å; I31-K80 HydrophobicContact CD1-CG 4.36Å; I31-L83 HydrophobicContact CD1-CD1 3.27Å; I31-L83 HydrophobicContact CG1-CD1 4.17Å
32	S	30.2	Very low	40.2	Very low	112 Å²	112	122.8 Å²	122.8	78%	0.783	72%	0.715	S	S	*	*			trans	-90.9	108.7	168.6	-175.7	0	0	0	0	108.1	H30	H30-S32 PolarHBondContact O-N 3.37Å
33	V	35.8	Very low	42.6	Very low	54 Å²	54	119.1 Å²	119.1	33%	0.327	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-92.2	117.4	169.3	-178.2	0	0	0	0	107.1	I31 L76	I31-V33 HydrophobicContact CG2-CG2 3.88Å; V33-L76 HydrophobicContact CB-CD2 3.8Å; V33-L76 HydrophobicContact CG2-CD2 3.33Å
34	K	32.9	Very low	44.9	Very low	184 Å²	184	115.8 Å²	115.8	80%	0.8	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-75.8	127	162.9	-72.6	-171.7	176.6	-174.6	0	107.1	G36	K34-G36 PolarHBondContact O-N 2.99Å; K34-G36 VanDerWaalsContact O-N 3.1Å
35	P	40	Very low	47.7	Very low	102 Å²	102	117.4 Å²	117.4	66%	0.662	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-58.3	120.4	171.5	21.8	-28.2	0	0	0	107.8
36	G	41.3	Very low	50.4	Low	55 Å²	55	115.5 Å²	115.5	57%	0.567	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-65.6	158.7	165.1	0	0	0	0	0	109.4	K34 L38	K34-G36 PolarHBondContact O-N 2.99Å; K34-G36 VanDerWaalsContact O-N 3.1Å; G36-L38 PolarHBondContact O-N 3.38Å
37	D	40.3	Very low	53	Low	175 Å²	175	118.9 Å²	118.9	94%	0.936	62%	0.615	S	S	*	*			trans	-65.4	71.1	176.1	-66	-46	0	0	0	111.3	K39	D37-K39 PolarHBondContact O-N 2.72Å
38	L	47.5	Very low	55.8	Low	119 Å²	119	111.2 Å²	111.2	62%	0.623	59%	0.587	S	S	*	*			trans	-69.3	111.8	166.7	-76.9	164.1	0	0	0	106.6	G36 P40	G36-L38 PolarHBondContact O-N 3.38Å; L38-P40 WeakPolarHBondContact O-CD 3.28Å; L38-P40 VanDerWaalsContact O-N 3.1Å
39	K	51.5	Low	58.7	Low	194 Å²	194	107.7 Å²	107.7	84%	0.843	57%	0.568	S	S	*	*			trans	-59.4	115.9	166.8	-73.4	-175.3	179	-178.7	0	107	D37 K41	D37-K39 PolarHBondContact O-N 2.72Å; K39-K41 PolarHBondContact O-N 3.19Å
40	P	56.2	Low	61.7	Low	123 Å²	123	97.9 Å²	97.9	80%	0.799	53%	0.531	S	S	*	.			trans	-61.8	115.9	-176.6	21.4	-29.5	0	0	0	108.8	L38 T42	L38-P40 WeakPolarHBondContact O-CD 3.28Å; L38-P40 VanDerWaalsContact O-N 3.1Å; P40-T42 PolarHBondContact O-N 3.48Å
41	K	69.1	Low	64.8	Low	117 Å²	117	90.9 Å²	90.9	51%	0.509	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-69.3	120.7	168.5	-71.9	-178.4	-177.8	172.8	0	106.9	K39 V43 A177	K39-K41 PolarHBondContact O-N 3.19Å; K41-V43 PolarHBondContact O-N 2.93Å; K41-A177 HydrophobicContact CB-CB 4.18Å
42	T	78.6	Confident	67.6	Low	127 Å²	127	87 Å²	87	78%	0.779	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-65.2	124.8	175.9	49.7	0	0	0	0	109.2	P40	P40-T42 PolarHBondContact O-N 3.48Å
43	V	83.2	Confident	70.5	Confident	26 Å²	26	82.1 Å²	82.1	16%	0.158	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-54.5	128.7	170.6	178.6	0	0	0	0	108	K41 L48 F54 A177	K41-V43 PolarHBondContact O-N 2.93Å; V43-L48 HydrophobicContact CG1-CD1 3.95Å; V43-F54 HydrophobicContact CG1-CB 4.47Å; V43-A177 HydrophobicContact CG2-CB 4.22Å
44	P	83.2	Confident	73.1	Confident	16 Å²	16	84.8 Å²	84.8	10%	0.104	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-53.3	140	179.7	-28	35.1	0	0	0	111.4	R46	P44-R46 HydrophobicContact CB-CG 4.08Å; P44-R46 PolarHBondContact O-N 2.63Å
45	P	84.3	Confident	75.9	Confident	107 Å²	107	77.2 Å²	77.2	70%	0.695	43%	0.425	S	S	*	.	S	Bend	trans	-77.4	61.8	-178.1	33	-36.4	0	0	0	111.3	F54	P45-F54 VanDerWaalsContact CA-CZ 3.42Å; P45-F54 HydrophobicContact CB-CD2 4.32Å; P45-F54 HydrophobicContact CB-CE1 3.87Å; P45-F54 HydrophobicContact CB-CE2 3.64Å; P45-F54 HydrophobicContact CB-CZ 3.39Å
46	R	88.1	Confident	78.5	Confident	64 Å²	64	74.9 Å²	74.9	24%	0.242	41%	0.405	C	S	.	.	S	Bend	trans	-149.6	166.1	178.1	66.8	179.7	-172.5	-108.8	-0.3	110.2	P44 L48 T55 A170 D173	P44-R46 HydrophobicContact CB-CG 4.08Å; P44-R46 PolarHBondContact O-N 2.63Å; R46-L48 HydrophobicContact CG-CD2 4.45Å; R46-T55 WeakPolarHBondContact O-CG2 3.4Å; R46-A170 PolarHBondContact NH2-O 2.87Å; R46-D173 IonicContact CZ-OD1 3.44Å; R46-D173 IonicContact CZ-OD2 3.64Å; R46-D173 VanDerWaalsContact CZ-OD2 3.31Å; R46-D173 IonicContact NH1-OD1 2.83Å; R46-D173 IonicContact NH1-OD2 3.59Å; R46-D173 PolarHBondContact NH1-OD2 3.38Å; R46-D173 IonicContact NH2-OD1 3.33Å; R46-D173 PolarHBondContact NH2-OD1 3.27Å; R46-D173 IonicContact NH2-OD2 2.93Å; R46-D173 PolarHBondContact NH2-OD2 3.13Å
47	Y	86.8	Confident	81	Confident	159 Å²	159	76.4 Å²	76.4	62%	0.624	41%	0.405	S	S	*	.			trans	-65.7	139.8	171	-68	-88.5	0	0	0	111.6	T55	Y47-T55 HydrophobicContact CD1-CG2 3.8Å; Y47-T55 HydrophobicContact CE1-CG2 4.29Å; Y47-T55 HydrophobicContact CG-CG2 4.21Å
48	L	92.9	Very high	83.6	Confident	8 Å²	8	75.1 Å²	75.1	4%	0.042	39%	0.393	C	S	.	.			trans	-109.6	170.4	169.7	-48.6	-177.1	0	0	0	107.9	V43 R46 Q50 A170 L178	V43-L48 HydrophobicContact CG1-CD1 3.95Å; R46-L48 HydrophobicContact CG-CD2 4.45Å; L48-Q50 PolarHBondContact O-N 3.07Å; L48-Q50 VanDerWaalsContact O-N 3.08Å; L48-A170 HydrophobicContact CB-CB 4.21Å; L48-A170 HydrophobicContact CD2-CB 4.27Å; L48-L178 HydrophobicContact CD1-CB 4.3Å; L48-L178 HydrophobicContact CD1-CD2 4.05Å
49	G	92.3	Very high	85.8	Confident	30 Å²	30	72.5 Å²	72.5	31%	0.309	38%	0.38	S	S	.	.	S	Bend	trans	-72.9	5	177.6	0	0	0	0	0	114.7	E135 P168	G49-E135 WeakPolarHBondContact CA-OE1 3.37Å; G49-E135 PolarHBondContact N-OE1 3.33Å; G49-P168 WeakPolarHBondContact CA-O 3.1Å; G49-P168 PolarHBondContact N-O 3.48Å
50	Q	95.4	Very high	88	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.047	34%	0.34	C	S	.	.	S	Bend	trans	-146.4	163.4	173.1	70.5	-177.5	87.5	0	0	110.8	L48 G132 F133 L134 L178	L48-Q50 PolarHBondContact O-N 3.07Å; L48-Q50 VanDerWaalsContact O-N 3.08Å; Q50-G132 PolarHBondContact NE2-O 2.78Å; Q50-F133 VanDerWaalsContact OE1-CD2 3.29Å; Q50-L134 HydrophobicContact CB-CB 3.9Å; Q50-L134 HydrophobicContact CB-CD1 4.34Å; Q50-L178 VanDerWaalsContact CD-CD2 3.46Å; Q50-L178 HydrophobicContact CG-CD2 3.6Å
51	P	95.3	Very high	89.8	Confident	46 Å²	46	64.2 Å²	64.2	30%	0.299	33%	0.331	S	S	.	.			trans	-54	141	172.4	-27.4	36.6	0	0	0	112.6	H56 V60	P51-H56 HydrophobicContact CB-CB 4.01Å; P51-V60 HydrophobicContact CB-CG2 3.85Å
52	S	94.8	Very high	90.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.345	C	S	.	.			trans	-139.3	163.4	179.1	76.2	0	0	0	0	110.6	F54 T55 H56	S52-F54 PolarHBondContact O-N 3.29Å; S52-T55 PolarHBondContact N-OG1 3.11Å; S52-T55 PolarHBondContact O-N 2.72Å; S52-T55 VanDerWaalsContact O-N 3.13Å; S52-T55 PolarHBondContact O-OG1 3.19Å; S52-T55 PolarHBondContact OG-N 3.32Å; S52-T55 PolarHBondContact OG-OG1 3.31Å; S52-H56 CarbonylContact O-C 3.55Å; S52-H56 WeakPolarHBondContact O-CA 3.13Å; S52-H56 PolarHBondContact O-N 2.89Å
53	P	91.9	Very high	91.6	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.058	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.1	178	-24.8	33.9	0	0	0	114.5	P57 V60 K61	P53-P57 WeakPolarHBondContact O-CB 3.28Å; P53-V60 VanDerWaalsContact CA-O 3.31Å; P53-V60 WeakPolarHBondContact CA-O 3.32Å; P53-V60 HydrophobicContact CG-CG1 3.94Å; P53-K61 VanDerWaalsContact CG-O 3.3Å; P53-K61 WeakPolarHBondContact CG-O 3.42Å
54	F	89	Confident	92.2	Very high	109 Å²	109	62.1 Å²	62.1	48%	0.478	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-41.3	177.4	179.4	-98.2	0	0	0	112.5	V43 P45 S52	V43-F54 HydrophobicContact CG1-CB 4.47Å; P45-F54 VanDerWaalsContact CA-CZ 3.42Å; P45-F54 HydrophobicContact CB-CD2 4.32Å; P45-F54 HydrophobicContact CB-CE1 3.87Å; P45-F54 HydrophobicContact CB-CE2 3.64Å; P45-F54 HydrophobicContact CB-CZ 3.39Å; S52-F54 PolarHBondContact O-N 3.29Å
55	T	92.6	Very high	92.9	Very high	25 Å²	25	61.4 Å²	61.4	15%	0.153	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-32.2	-174	54.3	0	0	0	0	112.6	R46 Y47 S52	R46-T55 WeakPolarHBondContact O-CG2 3.4Å; Y47-T55 HydrophobicContact CD1-CG2 3.8Å; Y47-T55 HydrophobicContact CE1-CG2 4.29Å; Y47-T55 HydrophobicContact CG-CG2 4.21Å; S52-T55 PolarHBondContact N-OG1 3.11Å; S52-T55 PolarHBondContact O-N 2.72Å; S52-T55 VanDerWaalsContact O-N 3.13Å; S52-T55 PolarHBondContact O-OG1 3.19Å; S52-T55 PolarHBondContact OG-N 3.32Å; S52-T55 PolarHBondContact OG-OG1 3.31Å
56	H	94.8	Very high	93.6	Very high	53 Å²	53	56.9 Å²	56.9	25%	0.245	29%	0.288	C	S	.	.			trans	-137	60.4	-174.8	-59.8	78.6	0	0	0	110.7	P51 S52 H58 L59 V60	P51-H56 HydrophobicContact CB-CB 4.01Å; S52-H56 CarbonylContact O-C 3.55Å; S52-H56 WeakPolarHBondContact O-CA 3.13Å; S52-H56 PolarHBondContact O-N 2.89Å; H56-H58 PolarHBondContact O-N 3.33Å; H56-L59 HydrophobicContact CB-CB 4.19Å; H56-L59 HydrophobicContact CB-CD1 4.27Å; H56-L59 HydrophobicContact CB-CG 4.38Å; H56-L59 PolarHBondContact O-N 3.47Å; H56-V60 PolarHBondContact O-N 2.9Å
57	P	93.9	Very high	94	Very high	88 Å²	88	54.6 Å²	54.6	57%	0.571	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.8	-178.4	25.2	-35.1	0	0	0	113.9	P53	P53-P57 WeakPolarHBondContact O-CB 3.28Å
58	H	94.1	Very high	94.5	Very high	147 Å²	147	48.7 Å²	48.7	68%	0.681	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.8	174.6	62.8	-80.2	0	0	0	113.2	H56	H56-H58 PolarHBondContact O-N 3.33Å
59	L	94.5	Very high	94.8	Very high	65 Å²	65	48.5 Å²	48.5	34%	0.34	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-46	178.7	-60.6	-180	0	0	0	112.5	H56 P67 F333	H56-L59 HydrophobicContact CB-CB 4.19Å; H56-L59 HydrophobicContact CB-CD1 4.27Å; H56-L59 HydrophobicContact CB-CG 4.38Å; H56-L59 PolarHBondContact O-N 3.47Å; L59-P67 HydrophobicContact CB-CG 4.46Å; L59-P67 WeakPolarHBondContact O-CB 3.2Å; L59-F333 HydrophobicContact CD2-CZ 4.39Å
60	V	96.3	Very high	95.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	27%	0.268	C	S	.	.	S	Bend	trans	-115.9	119.6	-174	-170.3	0	0	0	0	108.8	P51 P53 H56 E64 P67	P51-V60 HydrophobicContact CB-CG2 3.85Å; P53-V60 VanDerWaalsContact CA-O 3.31Å; P53-V60 WeakPolarHBondContact CA-O 3.32Å; P53-V60 HydrophobicContact CG-CG1 3.94Å; H56-V60 PolarHBondContact O-N 2.9Å; V60-E64 HydrophobicContact CG1-CB 3.68Å; V60-P67 HydrophobicContact CG2-CG 3.98Å
61	K	94.9	Very high	95.2	Very high	141 Å²	141	51.8 Å²	51.8	61%	0.613	28%	0.278	S	S	*	.			trans	-82	159.2	179.5	-60.5	172.6	-172.9	162.5	0	111.1	P53 G63 E64	P53-K61 VanDerWaalsContact CG-O 3.3Å; P53-K61 WeakPolarHBondContact CG-O 3.42Å; K61-G63 PolarHBondContact O-N 3.11Å; K61-E64 HydrophobicContact CB-CG 4.17Å; K61-E64 PolarHBondContact N-OE2 3.16Å; K61-E64 VanDerWaalsContact O-CB 3.31Å; K61-E64 WeakPolarHBondContact O-CB 3.24Å; K61-E64 PolarHBondContact O-N 2.96Å
62	H	92.6	Very high	95.3	Very high	172 Å²	172	53 Å²	53	80%	0.796	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	128.8	171.8	-85.2	-68.2	0	0	0	111.4	E64	H62-E64 VanDerWaalsContact C-N 3.34Å
63	G	92.5	Very high	95.5	Very high	36 Å²	36	54.5 Å²	54.5	37%	0.371	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-9.9	-175.9	0	0	0	0	0	114.5	K61 T70 Q71	K61-G63 PolarHBondContact O-N 3.11Å; G63-T70 CarbonylContact O-C 3.56Å; G63-T70 VanDerWaalsContact O-CA 3.31Å; G63-T70 WeakPolarHBondContact O-CA 3.35Å; G63-Q71 PolarHBondContact O-N 3.31Å
64	E	96.9	Very high	95.8	Very high	19 Å²	19	54.2 Å²	54.2	9%	0.089	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146.1	170.3	-66	177.7	172.7	0	0	111.9	V60 K61 H62 G68 L69 T70	V60-E64 HydrophobicContact CG1-CB 3.68Å; K61-E64 HydrophobicContact CB-CG 4.17Å; K61-E64 PolarHBondContact N-OE2 3.16Å; K61-E64 VanDerWaalsContact O-CB 3.31Å; K61-E64 WeakPolarHBondContact O-CB 3.24Å; K61-E64 PolarHBondContact O-N 2.96Å; H62-E64 VanDerWaalsContact C-N 3.34Å; E64-G68 VanDerWaalsContact CD-N 3.3Å; E64-G68 WeakPolarHBondContact OE1-CA 3.48Å; E64-G68 PolarHBondContact OE1-N 3.08Å; E64-G68 PolarHBondContact OE2-N 3.39Å; E64-L69 VanDerWaalsContact CA-O 3.32Å; E64-L69 WeakPolarHBondContact CA-O 3.39Å; E64-T70 HydrophobicContact CG-CG2 4.34Å
65	V	97.6	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-43	172.8	-168.3	0	0	0	0	109.8	L69 Q71 F74 L178 T179	V65-L69 PolarHBondContact N-O 3.35Å; V65-Q71 HydrophobicContact CG2-CB 4.27Å; V65-Q71 HydrophobicContact CG2-CG 3.58Å; V65-F74 HydrophobicContact CB-CD2 3.8Å; V65-F74 HydrophobicContact CB-CE2 3.6Å; V65-F74 HydrophobicContact CG1-CE2 4.39Å; V65-F74 HydrophobicContact CG2-CD2 3.52Å; V65-F74 HydrophobicContact CG2-CE2 3.87Å; V65-L178 HydrophobicContact CG1-CG 4.14Å; V65-L178 WeakPolarHBondContact CG2-O 3.28Å; V65-T179 HydrophobicContact CG1-CG2 4.25Å
66	T	97.9	Very high	96.5	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.08	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.4	168.9	61.2	0	0	0	0	107.9	G68 L69 F74 G132 L134	T66-G68 PolarHBondContact O-N 3.25Å; T66-G68 VanDerWaalsContact O-N 3.16Å; T66-L69 PolarHBondContact O-N 2.9Å; T66-F74 HydrophobicContact CG2-CZ 4.42Å; T66-G132 WeakPolarHBondContact CG2-O 3.3Å; T66-L134 HydrophobicContact CG2-CD1 4.39Å
67	P	97.8	Very high	96.7	Very high	16 Å²	16	51 Å²	51	10%	0.104	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	125.1	-178.9	-30.4	38.3	0	0	0	112.3	L59 V60 L69 F333	L59-P67 HydrophobicContact CB-CG 4.46Å; L59-P67 WeakPolarHBondContact O-CB 3.2Å; V60-P67 HydrophobicContact CG2-CG 3.98Å; P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 3.25Å; P67-F333 HydrophobicContact CB-CB 4.48Å; P67-F333 HydrophobicContact CB-CD1 4.35Å; P67-F333 HydrophobicContact CB-CD2 3.45Å; P67-F333 VanDerWaalsContact CB-CD2 3.45Å; P67-F333 HydrophobicContact CB-CE1 4.49Å; P67-F333 HydrophobicContact CB-CE2 3.59Å; P67-F333 HydrophobicContact CB-CG 3.85Å; P67-F333 HydrophobicContact CB-CZ 4.14Å; P67-F333 HydrophobicContact CG-CD1 3.72Å; P67-F333 HydrophobicContact CG-CD2 3.74Å; P67-F333 HydrophobicContact CG-CE1 3.73Å; P67-F333 HydrophobicContact CG-CE2 3.71Å; P67-F333 HydrophobicContact CG-CG 3.74Å; P67-F333 HydrophobicContact CG-CZ 3.72Å
68	G	97.3	Very high	96.9	Very high	35 Å²	35	47.1 Å²	47.1	36%	0.361	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-9.8	180	0	0	0	0	0	116.6	E64 T66	E64-G68 VanDerWaalsContact CD-N 3.3Å; E64-G68 WeakPolarHBondContact OE1-CA 3.48Å; E64-G68 PolarHBondContact OE1-N 3.08Å; E64-G68 PolarHBondContact OE2-N 3.39Å; T66-G68 PolarHBondContact O-N 3.25Å; T66-G68 VanDerWaalsContact O-N 3.16Å
69	L	98.5	Very high	97.1	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.6	-179.8	-61.3	179.5	0	0	0	112.1	E64 V65 T66 P67 E73 F74 A246 E247 L250 Y335	E64-L69 VanDerWaalsContact CA-O 3.32Å; E64-L69 WeakPolarHBondContact CA-O 3.39Å; V65-L69 PolarHBondContact N-O 3.35Å; T66-L69 PolarHBondContact O-N 2.9Å; P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 3.25Å; L69-E73 HydrophobicContact CD2-CG 4.46Å; L69-E73 WeakPolarHBondContact CD2-OE1 3.46Å; L69-F74 HydrophobicContact CB-CD2 4.5Å; L69-F74 HydrophobicContact CB-CE2 3.53Å; L69-F74 HydrophobicContact CB-CZ 3.8Å; L69-F74 HydrophobicContact CD1-CE1 4.47Å; L69-F74 HydrophobicContact CD1-CE2 4.37Å; L69-F74 HydrophobicContact CD1-CZ 3.77Å; L69-F74 HydrophobicContact CG-CZ 4.46Å; L69-A246 HydrophobicContact CD2-CB 3.72Å; L69-E247 HydrophobicContact CD2-CG 4.35Å; L69-L250 HydrophobicContact CD1-CD1 4.21Å; L69-L250 HydrophobicContact CD2-CD1 4.38Å; L69-L250 HydrophobicContact CG-CD1 4.03Å; L69-Y335 HydrophobicContact CD1-CE2 4.03Å
70	T	98.4	Very high	97.3	Very high	52 Å²	52	44.2 Å²	44.2	32%	0.319	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	157.5	-174.7	67.2	0	0	0	0	113.4	G63 E64 T72 E73 F74	G63-T70 CarbonylContact O-C 3.56Å; G63-T70 VanDerWaalsContact O-CA 3.31Å; G63-T70 WeakPolarHBondContact O-CA 3.35Å; E64-T70 HydrophobicContact CG-CG2 4.34Å; T70-T72 PolarHBondContact O-N 2.95Å; T70-E73 WeakPolarHBondContact O-CB 3.14Å; T70-E73 PolarHBondContact O-N 2.97Å; T70-E73 PolarHBondContact OG1-N 3.29Å; T70-E73 VanDerWaalsContact OG1-N 3.17Å; T70-F74 VanDerWaalsContact O-CD2 3.23Å; T70-F74 WeakPolarHBondContact O-CD2 3.32Å; T70-F74 PolarHBondContact O-N 2.88Å
71	Q	97.6	Very high	97.4	Very high	57 Å²	57	44.2 Å²	44.2	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-51.2	-40.9	169.2	-71.3	179.4	1.2	0	0	111.8	G63 V65 E73 F74 E75 A177 L178	G63-Q71 PolarHBondContact O-N 3.31Å; V65-Q71 HydrophobicContact CG2-CB 4.27Å; V65-Q71 HydrophobicContact CG2-CG 3.58Å; Q71-E73 VanDerWaalsContact C-N 3.31Å; Q71-E73 PolarHBondContact O-N 2.91Å; Q71-F74 PolarHBondContact O-N 3.38Å; Q71-E75 WeakPolarHBondContact O-CB 3.16Å; Q71-E75 PolarHBondContact O-N 3Å; Q71-A177 PolarHBondContact NE2-O 3.02Å; Q71-L178 WeakPolarHBondContact CG-O 3.47Å; Q71-L178 PolarHBondContact NE2-O 2.78Å
72	T	97.7	Very high	97.5	Very high	71 Å²	71	37.5 Å²	37.5	44%	0.436	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-39.1	176.3	-55.1	0	0	0	0	111.9	T70 E75 L76	T70-T72 PolarHBondContact O-N 2.95Å; T72-E75 PolarHBondContact O-N 2.86Å; T72-L76 HydrophobicContact CG2-CD1 4.14Å; T72-L76 HydrophobicContact CG2-CG 4.47Å; T72-L76 WeakPolarHBondContact O-CB 3.47Å; T72-L76 VanDerWaalsContact O-CG 3.23Å; T72-L76 WeakPolarHBondContact O-CG 3.16Å; T72-L76 PolarHBondContact O-N 2.64Å
73	E	98.4	Very high	97.7	Very high	33 Å²	33	31.9 Å²	31.9	15%	0.154	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-44.8	178.4	-174	151.6	162.7	0	0	111.9	L69 T70 Q71 E75 L76 R77 S244	L69-E73 HydrophobicContact CD2-CG 4.46Å; L69-E73 WeakPolarHBondContact CD2-OE1 3.46Å; T70-E73 WeakPolarHBondContact O-CB 3.14Å; T70-E73 PolarHBondContact O-N 2.97Å; T70-E73 PolarHBondContact OG1-N 3.29Å; T70-E73 VanDerWaalsContact OG1-N 3.17Å; Q71-E73 VanDerWaalsContact C-N 3.31Å; Q71-E73 PolarHBondContact O-N 2.91Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 3.16Å; E73-L76 WeakPolarHBondContact O-CB 3.22Å; E73-L76 PolarHBondContact O-N 3.06Å; E73-R77 VanDerWaalsContact O-CG 3.32Å; E73-R77 WeakPolarHBondContact O-CG 3.45Å; E73-R77 PolarHBondContact O-N 3.28Å; E73-R77 IonicContact OE1-CZ 3.68Å; E73-R77 IonicContact OE1-NE 3.55Å; E73-R77 IonicContact OE1-NH2 3.31Å; E73-R77 PolarHBondContact OE1-NH2 3.17Å; E73-S244 VanDerWaalsContact OE1-CB 3.3Å; E73-S244 WeakPolarHBondContact OE1-CB 3.04Å; E73-S244 PolarHBondContact OE1-OG 3.22Å
74	F	98.6	Very high	97.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-39.2	174.9	-70.2	-74.5	0	0	0	112.5	V65 T66 L69 T70 Q71 R77 R78 L128 Y129 G132	V65-F74 HydrophobicContact CB-CD2 3.8Å; V65-F74 HydrophobicContact CB-CE2 3.6Å; V65-F74 HydrophobicContact CG1-CE2 4.39Å; V65-F74 HydrophobicContact CG2-CD2 3.52Å; V65-F74 HydrophobicContact CG2-CE2 3.87Å; T66-F74 HydrophobicContact CG2-CZ 4.42Å; L69-F74 HydrophobicContact CB-CD2 4.5Å; L69-F74 HydrophobicContact CB-CE2 3.53Å; L69-F74 HydrophobicContact CB-CZ 3.8Å; L69-F74 HydrophobicContact CD1-CE1 4.47Å; L69-F74 HydrophobicContact CD1-CE2 4.37Å; L69-F74 HydrophobicContact CD1-CZ 3.77Å; L69-F74 HydrophobicContact CG-CZ 4.46Å; T70-F74 VanDerWaalsContact O-CD2 3.23Å; T70-F74 WeakPolarHBondContact O-CD2 3.32Å; T70-F74 PolarHBondContact O-N 2.88Å; Q71-F74 PolarHBondContact O-N 3.38Å; F74-R77 PolarHBondContact O-N 3.14Å; F74-R78 PolarHBondContact O-N 3.01Å; F74-R78 VanDerWaalsContact O-N 3.15Å; F74-L128 WeakPolarHBondContact CE1-O 3.41Å; F74-Y129 VanDerWaalsContact CD1-O 3.24Å; F74-Y129 WeakPolarHBondContact CD1-O 3.18Å; F74-Y129 WeakPolarHBondContact CE1-O 3.42Å; F74-G132 VanDerWaalsContact CE1-CA 3.44Å; F74-G132 VanDerWaalsContact CZ-CA 3.44Å
75	E	98.3	Very high	97.9	Very high	63 Å²	63	31.4 Å²	31.4	29%	0.294	17%	0.169	S	C	.	.	H	α-helix	trans	-62.8	-43.7	174.1	179.2	58	-161.1	0	0	111.9	Q71 T72 E73 R77 R78 Q79	Q71-E75 WeakPolarHBondContact O-CB 3.16Å; Q71-E75 PolarHBondContact O-N 3Å; T72-E75 PolarHBondContact O-N 2.86Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 3.16Å; E75-R77 VanDerWaalsContact C-N 3.3Å; E75-R77 PolarHBondContact O-N 2.89Å; E75-R78 PolarHBondContact O-N 3.02Å; E75-R78 IonicContact OE2-CZ 2.76Å; E75-R78 VanDerWaalsContact OE2-CZ 3.27Å; E75-R78 IonicContact OE2-NE 3.89Å; E75-R78 PolarHBondContact OE2-NE 3.26Å; E75-R78 VanDerWaalsContact OE2-NE 3.1Å; E75-R78 IonicContact OE2-NH2 3.63Å; E75-R78 PolarHBondContact OE2-NH2 3.35Å; E75-Q79 WeakPolarHBondContact O-CG 3.26Å; E75-Q79 PolarHBondContact O-N 3.27Å; E75-Q79 PolarHBondContact OE1-NE2 3.31Å
76	L	98.4	Very high	97.7	Very high	49 Å²	49	33.6 Å²	33.6	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-59.5	-39.2	175.2	-77.3	168.9	0	0	0	112.4	V33 T72 E73 Q79 K80	V33-L76 HydrophobicContact CB-CD2 3.8Å; V33-L76 HydrophobicContact CG2-CD2 3.33Å; T72-L76 HydrophobicContact CG2-CD1 4.14Å; T72-L76 HydrophobicContact CG2-CG 4.47Å; T72-L76 WeakPolarHBondContact O-CB 3.47Å; T72-L76 VanDerWaalsContact O-CG 3.23Å; T72-L76 WeakPolarHBondContact O-CG 3.16Å; T72-L76 PolarHBondContact O-N 2.64Å; E73-L76 WeakPolarHBondContact O-CB 3.22Å; E73-L76 PolarHBondContact O-N 3.06Å; L76-Q79 PolarHBondContact O-N 3.16Å; L76-K80 WeakPolarHBondContact O-CB 3.46Å; L76-K80 VanDerWaalsContact O-CG 3.29Å; L76-K80 WeakPolarHBondContact O-CG 3.34Å; L76-K80 PolarHBondContact O-N 3.06Å
77	R	98.7	Very high	97.4	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-46.4	176.2	-67	169.1	-172.3	-171.4	-2.4	111.2	E73 F74 E75 Q79 K80 L81 Y129 L130 E247 Y335	E73-R77 VanDerWaalsContact O-CG 3.32Å; E73-R77 WeakPolarHBondContact O-CG 3.45Å; E73-R77 PolarHBondContact O-N 3.28Å; E73-R77 IonicContact OE1-CZ 3.68Å; E73-R77 IonicContact OE1-NE 3.55Å; E73-R77 IonicContact OE1-NH2 3.31Å; E73-R77 PolarHBondContact OE1-NH2 3.17Å; F74-R77 PolarHBondContact O-N 3.14Å; E75-R77 VanDerWaalsContact C-N 3.3Å; E75-R77 PolarHBondContact O-N 2.89Å; R77-Q79 PolarHBondContact O-N 3.46Å; R77-K80 PolarHBondContact O-N 3.29Å; R77-L81 PolarHBondContact O-N 3.31Å; R77-Y129 HydrophobicContact CB-CD1 4.46Å; R77-Y129 HydrophobicContact CB-CE1 3.93Å; R77-Y129 WeakPolarHBondContact CD-O 3.17Å; R77-Y129 HydrophobicContact CG-CE1 3.85Å; R77-Y129 HydrophobicContact CG-CE2 4.28Å; R77-Y129 PolarHBondContact NH1-O 3.35Å; R77-L130 HydrophobicContact CB-CD2 4.25Å; R77-E247 IonicContact NH2-OE1 3.92Å; R77-E247 IonicContact NH2-OE2 3.27Å; R77-Y335 PolarHBondContact NH2-OH 3.45Å
78	R	98.7	Very high	97.1	Very high	8 Å²	8	38 Å²	38	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-43.7	175.6	-67.7	-173.7	-65.5	-96.7	10.2	112.2	F74 E75 L81 A82 L130 L142	F74-R78 PolarHBondContact O-N 3.01Å; F74-R78 VanDerWaalsContact O-N 3.15Å; E75-R78 PolarHBondContact O-N 3.02Å; E75-R78 IonicContact OE2-CZ 2.76Å; E75-R78 VanDerWaalsContact OE2-CZ 3.27Å; E75-R78 IonicContact OE2-NE 3.89Å; E75-R78 PolarHBondContact OE2-NE 3.26Å; E75-R78 VanDerWaalsContact OE2-NE 3.1Å; E75-R78 IonicContact OE2-NH2 3.63Å; E75-R78 PolarHBondContact OE2-NH2 3.35Å; R78-L81 PolarHBondContact O-N 2.78Å; R78-A82 PolarHBondContact O-N 2.81Å; R78-L130 HydrophobicContact CG-CB 4.37Å; R78-L130 HydrophobicContact CG-CD2 4.37Å; R78-L130 WeakPolarHBondContact CG-O 3.12Å; R78-L130 PolarHBondContact NH1-O 3.37Å; R78-L142 HydrophobicContact CB-CD1 4.45Å; R78-L142 HydrophobicContact CB-CD2 4.39Å; R78-L142 HydrophobicContact CG-CD2 4.24Å
79	Q	98.3	Very high	96.6	Very high	54 Å²	54	36.4 Å²	36.4	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-64.9	-41.5	177.6	-69.9	179.3	9.2	0	0	112.5	E75 L76 R77 L81 A82 L83	E75-Q79 WeakPolarHBondContact O-CG 3.26Å; E75-Q79 PolarHBondContact O-N 3.27Å; E75-Q79 PolarHBondContact OE1-NE2 3.31Å; L76-Q79 PolarHBondContact O-N 3.16Å; R77-Q79 PolarHBondContact O-N 3.46Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.7Å; Q79-A82 PolarHBondContact O-N 3.25Å; Q79-L83 WeakPolarHBondContact O-CG 3.44Å; Q79-L83 PolarHBondContact O-N 3.34Å
80	K	98.4	Very high	96	Very high	97 Å²	97	40.6 Å²	40.6	42%	0.422	21%	0.211	S	C	.	.	H	α-helix	trans	-61.8	-41.5	173.9	-74.8	175.2	179.9	179.7	0	111.6	I31 L76 R77 L83 L84 L239	I31-K80 HydrophobicContact CD1-CG 4.36Å; L76-K80 WeakPolarHBondContact O-CB 3.46Å; L76-K80 VanDerWaalsContact O-CG 3.29Å; L76-K80 WeakPolarHBondContact O-CG 3.34Å; L76-K80 PolarHBondContact O-N 3.06Å; R77-K80 PolarHBondContact O-N 3.29Å; K80-L83 PolarHBondContact O-N 3.4Å; K80-L84 WeakPolarHBondContact O-CG 3.45Å; K80-L84 PolarHBondContact O-N 2.93Å; K80-L239 HydrophobicContact CB-CD1 4.19Å; K80-L239 HydrophobicContact CB-CD2 3.79Å; K80-L239 HydrophobicContact CD-CD2 4.31Å
81	L	98.4	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-44.4	175.1	179.8	60	0	0	0	111.6	R77 R78 Q79 L83 L84 I85 L130 L142 L232 L235 I236 L239	R77-L81 PolarHBondContact O-N 3.31Å; R78-L81 PolarHBondContact O-N 2.78Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.7Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 2.96Å; L81-L84 PolarHBondContact O-N 3.41Å; L81-I85 HydrophobicContact CD1-CD1 4.37Å; L81-I85 HydrophobicContact CG-CD1 4.19Å; L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 2.9Å; L81-L130 HydrophobicContact CD2-CD1 3.73Å; L81-L130 HydrophobicContact CD2-CD2 4.03Å; L81-L142 HydrophobicContact CD2-CD1 3.91Å; L81-L232 HydrophobicContact CD1-CD2 4.48Å; L81-L235 HydrophobicContact CD1-CB 3.8Å; L81-I236 HydrophobicContact CD1-CG1 3.86Å; L81-I236 HydrophobicContact CD2-CD1 4.29Å; L81-I236 HydrophobicContact CD2-CG1 3.94Å; L81-L239 HydrophobicContact CB-CD1 3.87Å; L81-L239 HydrophobicContact CD1-CD1 4.47Å
82	A	97.4	Very high	94.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-41.5	176.1	0	0	0	0	0	112.1	R78 Q79 I85 E86 R147 P148 D149	R78-A82 PolarHBondContact O-N 2.81Å; Q79-A82 PolarHBondContact O-N 3.25Å; A82-I85 PolarHBondContact O-N 2.83Å; A82-E86 PolarHBondContact O-N 3.48Å; A82-R147 HydrophobicContact CB-CB 4.45Å; A82-P148 HydrophobicContact CB-CG 4.34Å; A82-P148 WeakPolarHBondContact CB-O 3.47Å; A82-D149 HydrophobicContact CB-CB 4.24Å
83	L	96.8	Very high	93.4	Very high	53 Å²	53	45.1 Å²	45.1	28%	0.277	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-35.6	176	-70.9	169.1	0	0	0	113.3	I31 Q79 K80 L81 I85 E86 A87 R147	I31-L83 HydrophobicContact CD1-CD1 3.27Å; I31-L83 HydrophobicContact CG1-CD1 4.17Å; Q79-L83 WeakPolarHBondContact O-CG 3.44Å; Q79-L83 PolarHBondContact O-N 3.34Å; K80-L83 PolarHBondContact O-N 3.4Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 2.96Å; L83-I85 VanDerWaalsContact C-N 3.35Å; L83-E86 WeakPolarHBondContact CD2-OE2 3.44Å; L83-E86 WeakPolarHBondContact O-CB 3.5Å; L83-E86 PolarHBondContact O-N 3.43Å; L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 3.05Å; L83-R147 VanDerWaalsContact CD2-NH1 3.34Å
84	L	96.5	Very high	91.8	Very high	45 Å²	45	48.4 Å²	48.4	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-39.4	173.7	-74.6	-179.1	0	0	0	111.6	K80 L81 A87 H88 L235 S238 L239	K80-L84 WeakPolarHBondContact O-CG 3.45Å; K80-L84 PolarHBondContact O-N 2.93Å; L81-L84 PolarHBondContact O-N 3.41Å; L84-A87 PolarHBondContact O-N 3.27Å; L84-H88 WeakPolarHBondContact O-CB 3.37Å; L84-H88 PolarHBondContact O-N 2.86Å; L84-L235 HydrophobicContact CB-CB 4.43Å; L84-L235 HydrophobicContact CB-CD1 4.45Å; L84-L235 HydrophobicContact CB-CD2 4.38Å; L84-L235 HydrophobicContact CD1-CB 4.3Å; L84-S238 WeakPolarHBondContact CD1-OG 3.23Å; L84-L239 HydrophobicContact CD1-CD1 4.15Å; L84-L239 HydrophobicContact CD1-CD2 3.54Å; L84-L239 HydrophobicContact CD1-CG 3.66Å; L84-L239 HydrophobicContact CG-CD2 4.4Å
85	I	95.3	Very high	90.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-49.2	173.6	-72.7	168.8	0	0	0	110.1	L81 A82 L83 A87 H88 T89 H101 A103 P148 W203 L232 L235	L81-I85 HydrophobicContact CD1-CD1 4.37Å; L81-I85 HydrophobicContact CG-CD1 4.19Å; L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 2.9Å; A82-I85 PolarHBondContact O-N 2.83Å; L83-I85 VanDerWaalsContact C-N 3.35Å; I85-A87 PolarHBondContact O-N 2.9Å; I85-H88 PolarHBondContact O-N 2.72Å; I85-T89 HydrophobicContact CG2-CG2 4.44Å; I85-T89 VanDerWaalsContact O-CG2 3.28Å; I85-T89 WeakPolarHBondContact O-CG2 3.35Å; I85-T89 PolarHBondContact O-N 3.38Å; I85-T89 PolarHBondContact O-OG1 3.31Å; I85-H101 HydrophobicContact CG2-CB 4.46Å; I85-A103 HydrophobicContact CD1-CB 4.14Å; I85-P148 HydrophobicContact CB-CG 4.28Å; I85-P148 HydrophobicContact CD1-CG 3.53Å; I85-P148 HydrophobicContact CG2-CG 4.06Å; I85-W203 HydrophobicContact CB-CZ2 4.48Å; I85-W203 HydrophobicContact CD1-CD2 4.37Å; I85-W203 HydrophobicContact CD1-CG 4.34Å; I85-W203 HydrophobicContact CG1-CD2 4.19Å; I85-W203 HydrophobicContact CG1-CE3 4.33Å; I85-W203 HydrophobicContact CG2-CD2 4.28Å; I85-W203 HydrophobicContact CG2-CH2 4.42Å; I85-W203 HydrophobicContact CG2-CZ2 3.67Å; I85-L232 HydrophobicContact CD1-CD2 3.79Å; I85-L232 HydrophobicContact CG1-CD2 4.48Å; I85-L235 HydrophobicContact CG1-CD1 3.61Å
86	E	93.9	Very high	88.7	Confident	47 Å²	47	52 Å²	52	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-52.9	-54.7	174.9	-171.7	177.9	-175.3	0	0	111.1	A82 L83 H88 T89 D90 T146 R147	A82-E86 PolarHBondContact O-N 3.48Å; L83-E86 WeakPolarHBondContact CD2-OE2 3.44Å; L83-E86 WeakPolarHBondContact O-CB 3.5Å; L83-E86 PolarHBondContact O-N 3.43Å; E86-H88 VanDerWaalsContact C-N 3.27Å; E86-H88 PolarHBondContact O-N 2.92Å; E86-T89 WeakPolarHBondContact CA-OG1 3.44Å; E86-T89 PolarHBondContact O-N 2.93Å; E86-T89 PolarHBondContact O-OG1 3Å; E86-D90 PolarHBondContact O-N 3.28Å; E86-T146 HydrophobicContact CG-CG2 3.96Å; E86-R147 HydrophobicContact CB-CB 3.95Å; E86-R147 HydrophobicContact CG-CB 4.42Å; E86-R147 VanDerWaalsContact OE2-CD 3.3Å; E86-R147 WeakPolarHBondContact OE2-CD 3.39Å; E86-R147 IonicContact OE2-NH1 3.68Å
87	A	92.2	Very high	87.1	Confident	47 Å²	47	50.8 Å²	50.8	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-31.3	-179	0	0	0	0	0	113.4	L83 L84 I85	L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 3.05Å; L84-A87 PolarHBondContact O-N 3.27Å; I85-A87 PolarHBondContact O-N 2.9Å
88	H	90.4	Very high	85.9	Confident	74 Å²	74	53.4 Å²	53.4	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-72.4	-40.3	174.1	-165	98.8	0	0	0	111	L84 I85 E86 K91 W203	L84-H88 WeakPolarHBondContact O-CB 3.37Å; L84-H88 PolarHBondContact O-N 2.86Å; I85-H88 PolarHBondContact O-N 2.72Å; E86-H88 VanDerWaalsContact C-N 3.27Å; E86-H88 PolarHBondContact O-N 2.92Å; H88-K91 PolarHBondContact O-N 3.13Å; H88-W203 HydrophobicContact CB-CH2 4.15Å; H88-W203 AromaticContact CD2-CH2 3.73Å
89	T	87.6	Confident	85.2	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-34.5	178.6	58	0	0	0	0	113.4	I85 E86 K91 L92 G93 H101 W203	I85-T89 HydrophobicContact CG2-CG2 4.44Å; I85-T89 VanDerWaalsContact O-CG2 3.28Å; I85-T89 WeakPolarHBondContact O-CG2 3.35Å; I85-T89 PolarHBondContact O-N 3.38Å; I85-T89 PolarHBondContact O-OG1 3.31Å; E86-T89 WeakPolarHBondContact CA-OG1 3.44Å; E86-T89 PolarHBondContact O-N 2.93Å; E86-T89 PolarHBondContact O-OG1 3Å; T89-K91 PolarHBondContact O-N 2.65Å; T89-L92 WeakPolarHBondContact O-CA 3.45Å; T89-L92 WeakPolarHBondContact O-CB 3.23Å; T89-L92 PolarHBondContact O-N 2.84Å; T89-G93 PolarHBondContact O-N 2.85Å; T89-H101 VanDerWaalsContact CG2-CE1 3.42Å; T89-H101 WeakPolarHBondContact CG2-CE1 3.46Å; T89-W203 HydrophobicContact CG2-CH2 4.27Å; T89-W203 HydrophobicContact CG2-CZ2 3.55Å
90	D	85.7	Confident	84.8	Confident	91 Å²	91	55.3 Å²	55.3	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-35.9	174.7	-82.1	-15.4	0	0	0	112.3	E86 L92 G93 S97	E86-D90 PolarHBondContact O-N 3.28Å; D90-L92 PolarHBondContact O-N 3.14Å; D90-G93 PolarHBondContact O-N 3.14Å; D90-S97 WeakPolarHBondContact OD1-CB 3.3Å
91	K	85.2	Confident	84.6	Confident	176 Å²	176	50.8 Å²	50.8	77%	0.765	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.9	176.8	-65.1	174.3	-175.5	177.9	0	113.2	H88 T89	H88-K91 PolarHBondContact O-N 3.13Å; T89-K91 PolarHBondContact O-N 2.65Å
92	L	79.4	Confident	84.4	Confident	79 Å²	79	51.1 Å²	51.1	41%	0.414	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.7	-178.6	-57.7	170.9	0	0	0	112.6	T89 D90 A96 R230	T89-L92 WeakPolarHBondContact O-CA 3.45Å; T89-L92 WeakPolarHBondContact O-CB 3.23Å; T89-L92 PolarHBondContact O-N 2.84Å; D90-L92 PolarHBondContact O-N 3.14Å; L92-A96 HydrophobicContact CB-CB 3.9Å; L92-R230 VanDerWaalsContact CD1-NH1 3.28Å
93	G	74.4	Confident	84.4	Confident	21 Å²	21	51.1 Å²	51.1	22%	0.216	30%	0.299	C	S	.	.			trans	99.6	174	173.7	0	0	0	0	0	115.5	T89 D90 P95 A96 S97	T89-G93 PolarHBondContact O-N 2.85Å; D90-G93 PolarHBondContact O-N 3.14Å; G93-P95 VanDerWaalsContact C-CD 3.43Å; G93-A96 PolarHBondContact O-N 3.05Å; G93-A96 VanDerWaalsContact O-N 3.08Å; G93-S97 PolarHBondContact O-N 2.69Å; G93-S97 PolarHBondContact O-OG 2.88Å
94	P	64.9	Low	84.4	Confident	101 Å²	101	48.7 Å²	48.7	66%	0.656	29%	0.287	S	S	*	.	H	α-helix	trans	-57	-36.5	-167.6	-23.7	32.3	0	0	0	117.4	A96 S97 S98	P94-A96 VanDerWaalsContact C-N 3.27Å; P94-A96 PolarHBondContact O-N 2.87Å; P94-S97 PolarHBondContact O-OG 2.96Å; P94-S98 PolarHBondContact O-N 3.47Å; P94-S98 PolarHBondContact O-OG 2.89Å
95	P	63.7	Low	84.5	Confident	114 Å²	114	47.1 Å²	47.1	74%	0.74	28%	0.279	S	S	*	.	H	α-helix	trans	-65.8	-31.2	177.4	-19.5	31.6	0	0	0	112.7	G93	G93-P95 VanDerWaalsContact C-CD 3.43Å
96	A	67.6	Low	84.7	Confident	27 Å²	27	47.3 Å²	47.3	22%	0.223	28%	0.28	C	S	.	.	H	α-helix	trans	-83.5	-34.6	-179.6	0	0	0	0	0	112.3	L92 G93 P94 H101	L92-A96 HydrophobicContact CB-CB 3.9Å; G93-A96 PolarHBondContact O-N 3.05Å; G93-A96 VanDerWaalsContact O-N 3.08Å; P94-A96 VanDerWaalsContact C-N 3.27Å; P94-A96 PolarHBondContact O-N 2.87Å; A96-H101 PolarHBondContact O-CE1 3.49Å; A96-H101 PolarHBondContact O-NE2 3Å; A96-H101 VanDerWaalsContact O-NE2 3.13Å
97	S	66.1	Low	84.9	Confident	23 Å²	23	45.1 Å²	45.1	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-83	-15.3	-176	60	0	0	0	0	115.4	D90 G93 P94 T146	D90-S97 WeakPolarHBondContact OD1-CB 3.3Å; G93-S97 PolarHBondContact O-N 2.69Å; G93-S97 PolarHBondContact O-OG 2.88Å; P94-S97 PolarHBondContact O-OG 2.96Å; S97-T146 WeakPolarHBondContact O-CA 3.42Å; S97-T146 WeakPolarHBondContact O-CB 3.27Å; S97-T146 WeakPolarHBondContact O-CG2 3.46Å; S97-T146 PolarHBondContact O-OG1 3.48Å
98	S	73.1	Confident	85.2	Confident	62 Å²	62	44.6 Å²	44.6	43%	0.434	26%	0.259	S	S	.	.	S	Bend	trans	-104.6	0.1	-180	60.3	0	0	0	0	114.3	P94 R145	P94-S98 PolarHBondContact O-N 3.47Å; P94-S98 PolarHBondContact O-OG 2.89Å; S98-R145 PolarHBondContact O-NE 3.15Å
99	G	83.1	Confident	85.5	Confident	24 Å²	24	42.6 Å²	42.6	25%	0.247	25%	0.253	C	S	.	.	S	Bend	trans	-83.1	176.8	-176.1	0	0	0	0	0	114.5	H101 T146	G99-H101 PolarHBondContact O-CD2 3.48Å; G99-T146 PolarHBondContact O-N 3.2Å
100	N	90.6	Very high	86	Confident	79 Å²	79	44.4 Å²	44.4	42%	0.422	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	142.1	168.5	-64.9	-34.9	0	0	0	109.2	G144 T200 Q201	N100-G144 WeakPolarHBondContact CA-O 3.19Å; N100-T200 HydrophobicContact CB-CG2 3.83Å; N100-T200 VanDerWaalsContact CB-OG1 3.31Å; N100-T200 WeakPolarHBondContact CB-OG1 3.49Å; N100-T200 WeakPolarHBondContact O-CA 3.41Å; N100-T200 WeakPolarHBondContact O-CG2 3.4Å; N100-Q201 PolarHBondContact O-N 2.95Å
101	H	93.3	Very high	86.5	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.9	176.1	-60.9	-75	0	0	0	110.4	I85 T89 A96 G99 Y143 G144 T146 P148 T200 Q201 W203	I85-H101 HydrophobicContact CG2-CB 4.46Å; T89-H101 VanDerWaalsContact CG2-CE1 3.42Å; T89-H101 WeakPolarHBondContact CG2-CE1 3.46Å; A96-H101 PolarHBondContact O-CE1 3.49Å; A96-H101 PolarHBondContact O-NE2 3Å; A96-H101 VanDerWaalsContact O-NE2 3.13Å; G99-H101 PolarHBondContact O-CD2 3.48Å; H101-Y143 VanDerWaalsContact O-CA 3.26Å; H101-Y143 WeakPolarHBondContact O-CA 3.49Å; H101-G144 PolarHBondContact N-O 3.47Å; H101-G144 PolarHBondContact O-N 3.32Å; H101-G144 VanDerWaalsContact O-N 3.12Å; H101-T146 PolarHBondContact CD2-O 3.14Å; H101-P148 HydrophobicContact CB-CB 4.32Å; H101-P148 HydrophobicContact CB-CG 4.34Å; H101-T200 VanDerWaalsContact CA-CG2 3.4Å; H101-Q201 WeakPolarHBondContact CA-O 3.36Å; H101-W203 AromaticContact CG-NE1 4Å; H101-W203 AromaticContact ND1-NE1 3.43Å; H101-W203 PolarHBondContact ND1-NE1 2.74Å
102	V	95.1	Very high	87	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.4	172.3	166.7	0	0	0	0	108.1	V104 V141 L142 L194 L197 T200 Q201 L202 W203	V102-V104 HydrophobicContact CG1-CG2 3.92Å; V102-V141 HydrophobicContact CG1-CG1 3.99Å; V102-L142 CarbonylContact C-O 3.57Å; V102-L142 VanDerWaalsContact CA-O 3.29Å; V102-L142 WeakPolarHBondContact CA-O 3.24Å; V102-L194 HydrophobicContact CG1-CD2 4.29Å; V102-L197 HydrophobicContact CG2-CB 3.93Å; V102-L197 HydrophobicContact CG2-CD1 3.71Å; V102-L197 HydrophobicContact CG2-CG 4.28Å; V102-T200 HydrophobicContact CB-CG2 3.75Å; V102-T200 HydrophobicContact CG2-CG2 3.43Å; V102-T200 VanDerWaalsContact CG2-CG2 3.43Å; V102-Q201 PolarHBondContact N-O 2.94Å; V102-L202 HydrophobicContact CB-CD1 4.39Å; V102-L202 HydrophobicContact CG1-CD1 3.94Å; V102-L202 CarbonylContact O-C 3.57Å; V102-L202 WeakPolarHBondContact O-CA 3.48Å; V102-W203 PolarHBondContact O-N 2.6Å
103	A	97	Very high	87.8	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132	170.9	0	0	0	0	0	109.2	I85 V141 L142 W203 L232	I85-A103 HydrophobicContact CD1-CB 4.14Å; A103-V141 CarbonylContact O-C 3.51Å; A103-V141 WeakPolarHBondContact O-CA 3.43Å; A103-L142 HydrophobicContact CB-CB 4.17Å; A103-L142 PolarHBondContact N-O 3.18Å; A103-L142 PolarHBondContact O-N 3.21Å; A103-W203 WeakPolarHBondContact CA-O 3.46Å; A103-W203 HydrophobicContact CB-CB 4.07Å; A103-L232 HydrophobicContact CB-CD1 3.82Å; A103-L232 HydrophobicContact CB-CD2 3.81Å; A103-L232 HydrophobicContact CB-CG 4.39Å
104	V	97.9	Very high	88.9	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.6	178.5	-177.5	0	0	0	0	109	V102 L106 L140 V141 L194 L202 W203 Y204 V219 L232	V102-V104 HydrophobicContact CG1-CG2 3.92Å; V104-L106 HydrophobicContact CG1-CD2 3.94Å; V104-L106 HydrophobicContact CG1-CG 4.47Å; V104-L140 WeakPolarHBondContact CA-O 3.41Å; V104-V141 HydrophobicContact CG2-CG2 4.36Å; V104-L194 HydrophobicContact CG2-CD2 3.8Å; V104-L202 HydrophobicContact CG2-CD1 3.82Å; V104-W203 PolarHBondContact N-O 3.38Å; V104-Y204 HydrophobicContact CB-CD2 3.93Å; V104-Y204 HydrophobicContact CG1-CD2 4.18Å; V104-Y204 HydrophobicContact CG1-CE2 4.41Å; V104-Y204 WeakPolarHBondContact O-CD2 3.48Å; V104-V219 HydrophobicContact CG1-CG2 4.22Å; V104-L232 WeakPolarHBondContact O-CD1 3.2Å
105	V	98.4	Very high	90.2	Very high	12 Å²	12	51.1 Å²	51.1	7%	0.073	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.9	173.6	-171.1	0	0	0	0	107.8	D126 F127 L130 A139 L140 L232 I236	V105-D126 HydrophobicContact CG1-CB 4.3Å; V105-F127 HydrophobicContact CG1-CB 3.92Å; V105-F127 HydrophobicContact CG1-CD2 4.41Å; V105-L130 HydrophobicContact CG2-CD1 3.93Å; V105-A139 WeakPolarHBondContact O-CA 3.34Å; V105-L140 HydrophobicContact CB-CB 4.43Å; V105-L140 PolarHBondContact N-O 2.89Å; V105-L140 PolarHBondContact O-N 2.88Å; V105-L232 HydrophobicContact CG2-CD1 3.86Å; V105-I236 HydrophobicContact CG2-CD1 4.23Å
106	L	98.8	Very high	91.6	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.9	-177.9	-57.5	179.8	0	0	0	110.1	V104 A139 L190 Y204 H211 L214 H215 V219	V104-L106 HydrophobicContact CG1-CD2 3.94Å; V104-L106 HydrophobicContact CG1-CG 4.47Å; L106-A139 HydrophobicContact CD2-CB 3.65Å; L106-L190 HydrophobicContact CD2-CD2 4.41Å; L106-Y204 HydrophobicContact CD1-CE2 4.04Å; L106-Y204 WeakPolarHBondContact CD1-OH 3.46Å; L106-Y204 HydrophobicContact CG-CE2 4.11Å; L106-H211 HydrophobicContact CB-CB 4.11Å; L106-H211 HydrophobicContact CD1-CB 4.21Å; L106-L214 HydrophobicContact CD1-CB 4.27Å; L106-L214 HydrophobicContact CD2-CB 4.42Å; L106-H215 HydrophobicContact CD1-CB 4.11Å; L106-V219 HydrophobicContact CD1-CG2 4.29Å; L106-V219 HydrophobicContact CD2-CG2 4.28Å
107	S	98.7	Very high	92.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-67.7	173.1	167.8	80.9	0	0	0	0	110.6	Q123 D137 S138 H211	S107-Q123 VanDerWaalsContact CA-OE1 3.27Å; S107-Q123 VanDerWaalsContact CB-OE1 3.23Å; S107-D137 PolarHBondContact OG-N 3.14Å; S107-D137 VanDerWaalsContact OG-N 3.09Å; S107-S138 WeakPolarHBondContact CB-O 3.46Å; S107-S138 PolarHBondContact N-O 3.04Å; S107-S138 PolarHBondContact OG-N 2.97Å; S107-S138 PolarHBondContact OG-O 3.31Å; S107-H211 WeakPolarHBondContact O-CB 3.49Å
108	H	98.4	Very high	94.3	Very high	36 Å²	36	58 Å²	58	17%	0.167	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-76	154.4	163	-78.2	166.1	0	0	0	111.9	F121 H122 Q123 N124 P136 D137 A210	H108-F121 HydrophobicContact CB-CE2 3.95Å; H108-F121 HydrophobicContact CB-CZ 4.3Å; H108-H122 PolarHBondContact ND1-O 2.94Å; H108-Q123 VanDerWaalsContact ND1-C 3.31Å; H108-Q123 PolarHBondContact ND1-O 3.39Å; H108-N124 PolarHBondContact ND1-N 2.9Å; H108-P136 WeakPolarHBondContact O-CA 3.47Å; H108-D137 PolarHBondContact O-N 3.06Å; H108-A210 PolarHBondContact CD2-O 3.13Å
109	P	97.6	Very high	95.4	Very high	33 Å²	33	60.5 Å²	60.5	21%	0.214	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-78.5	168.7	160.8	33.4	-33.4	0	0	0	111.2	A210	P109-A210 WeakPolarHBondContact CD-O 3.4Å
110	I	96.5	Very high	96	Very high	39 Å²	39	63.9 Å²	63.9	20%	0.2	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.7	133.9	161.8	-59.5	176.8	0	0	0	108.9	Y112 P118 P136	I110-Y112 HydrophobicContact CB-CE2 4.13Å; I110-Y112 HydrophobicContact CG2-CD2 4.25Å; I110-Y112 HydrophobicContact CG2-CE2 3.68Å; I110-P118 HydrophobicContact CG2-CB 3.79Å; I110-P136 HydrophobicContact CD1-CG 4.07Å; I110-P136 HydrophobicContact CG1-CB 3.93Å; I110-P136 HydrophobicContact CG1-CG 3.77Å
111	R	96.4	Very high	96.3	Very high	164 Å²	164	62.8 Å²	62.8	62%	0.619	32%	0.315	S	S	*	.			trans	-104.9	146.8	172	-64.6	-171.7	-179.4	-162.6	2.2	110	P118 Y119	R111-P118 WeakPolarHBondContact O-CA 3.48Å; R111-Y119 HydrophobicContact CB-CD2 4.14Å; R111-Y119 PolarHBondContact O-N 3.2Å
112	Y	95.7	Very high	96.5	Very high	113 Å²	113	66.1 Å²	66.1	44%	0.443	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.5	-175.8	-70.4	-97.8	0	0	0	110.3	I110 N115 I117 P118	I110-Y112 HydrophobicContact CB-CE2 4.13Å; I110-Y112 HydrophobicContact CG2-CD2 4.25Å; I110-Y112 HydrophobicContact CG2-CE2 3.68Å; Y112-N115 WeakPolarHBondContact CD1-O 3.5Å; Y112-I117 WeakPolarHBondContact CA-O 3.41Å; Y112-P118 HydrophobicContact CD1-CB 4.32Å; Y112-P118 HydrophobicContact CE1-CB 4.23Å
113	M	97.2	Very high	96.6	Very high	118 Å²	118	66 Å²	66	58%	0.581	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	-42.6	174.6	-179.1	-173	-68.9	0	0	110.7	I117 Y119	M113-I117 PolarHBondContact N-O 2.85Å; M113-Y119 HydrophobicContact CB-CD1 4.33Å; M113-Y119 HydrophobicContact CB-CD2 4.17Å; M113-Y119 HydrophobicContact CB-CE1 3.91Å; M113-Y119 HydrophobicContact CB-CE2 3.76Å; M113-Y119 HydrophobicContact CB-CG 4.44Å; M113-Y119 HydrophobicContact CE-CD1 3.94Å; M113-Y119 HydrophobicContact CE-CE1 3.53Å; M113-Y119 HydrophobicContact CG-CE1 4.04Å; M113-Y119 HydrophobicContact CG-CE2 4.42Å
114	T	95.9	Very high	96.7	Very high	74 Å²	74	67.2 Å²	67.2	45%	0.454	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	168.9	169.4	-176.8	0	0	0	0	107.5	D116 I117	T114-D116 VanDerWaalsContact C-N 3.32Å; T114-D116 PolarHBondContact O-N 3.4Å; T114-I117 HydrophobicContact CG2-CB 3.77Å; T114-I117 HydrophobicContact CG2-CD1 3.68Å; T114-I117 HydrophobicContact CG2-CG1 3.78Å; T114-I117 PolarHBondContact O-N 3.01Å
115	N	93.4	Very high	96.7	Very high	139 Å²	139	67.5 Å²	67.5	74%	0.743	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-21.9	-61.9	-169	-63.8	-12.7	0	0	0	115.8	Y112	Y112-N115 WeakPolarHBondContact CD1-O 3.5Å
116	D	91.9	Very high	96.7	Very high	145 Å²	145	67.8 Å²	67.8	78%	0.775	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	12.3	-174.2	-54.8	-59.7	0	0	0	113.9	T114 P118	T114-D116 VanDerWaalsContact C-N 3.32Å; T114-D116 PolarHBondContact O-N 3.4Å; D116-P118 WeakPolarHBondContact O-CD 3.27Å
117	I	95.3	Very high	96.7	Very high	98 Å²	98	67.6 Å²	67.6	50%	0.503	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	106.3	178.8	-56.3	-178.3	0	0	0	109	Y112 M113 T114	Y112-I117 WeakPolarHBondContact CA-O 3.41Å; M113-I117 PolarHBondContact N-O 2.85Å; T114-I117 HydrophobicContact CG2-CB 3.77Å; T114-I117 HydrophobicContact CG2-CD1 3.68Å; T114-I117 HydrophobicContact CG2-CG1 3.78Å; T114-I117 PolarHBondContact O-N 3.01Å
118	P	96.1	Very high	96.7	Very high	67 Å²	67	68.2 Å²	68.2	44%	0.435	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	149.4	-178.5	31.2	-35	0	0	0	111.8	I110 R111 Y112 D116	I110-P118 HydrophobicContact CG2-CB 3.79Å; R111-P118 WeakPolarHBondContact O-CA 3.48Å; Y112-P118 HydrophobicContact CD1-CB 4.32Å; Y112-P118 HydrophobicContact CE1-CB 4.23Å; D116-P118 WeakPolarHBondContact O-CD 3.27Å
119	Y	97.1	Very high	96.7	Very high	114 Å²	114	66.8 Å²	66.8	45%	0.447	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.3	156.8	158.1	-73.8	-74.9	0	0	0	109.9	R111 M113 F121	R111-Y119 HydrophobicContact CB-CD2 4.14Å; R111-Y119 PolarHBondContact O-N 3.2Å; M113-Y119 HydrophobicContact CB-CD1 4.33Å; M113-Y119 HydrophobicContact CB-CD2 4.17Å; M113-Y119 HydrophobicContact CB-CE1 3.91Å; M113-Y119 HydrophobicContact CB-CE2 3.76Å; M113-Y119 HydrophobicContact CB-CG 4.44Å; M113-Y119 HydrophobicContact CE-CD1 3.94Å; M113-Y119 HydrophobicContact CE-CE1 3.53Å; M113-Y119 HydrophobicContact CG-CE1 4.04Å; M113-Y119 HydrophobicContact CG-CE2 4.42Å; Y119-F121 PolarHBondContact O-N 3.31Å
120	P	95.1	Very high	96.8	Very high	94 Å²	94	65.2 Å²	65.2	61%	0.61	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-50	131.5	162.7	-25.3	35	0	0	0	110.4	H122 F293	P120-H122 PolarHBondContact O-N 3.39Å; P120-F293 HydrophobicContact CB-CE1 3.85Å; P120-F293 HydrophobicContact CB-CZ 4.18Å
121	F	96.6	Very high	96.9	Very high	57 Å²	57	63.4 Å²	63.4	25%	0.25	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-69.6	133.4	-177.9	178.1	-107.7	0	0	0	110.7	H108 Y119 Q123 L134 P136	H108-F121 HydrophobicContact CB-CE2 3.95Å; H108-F121 HydrophobicContact CB-CZ 4.3Å; Y119-F121 PolarHBondContact O-N 3.31Å; F121-Q123 HydrophobicContact CE1-CB 4.07Å; F121-Q123 HydrophobicContact CZ-CB 4.31Å; F121-L134 VanDerWaalsContact CD1-O 3.32Å; F121-L134 WeakPolarHBondContact CD1-O 3.28Å; F121-L134 WeakPolarHBondContact CE1-O 3.33Å; F121-P136 HydrophobicContact CD2-CB 4.15Å; F121-P136 HydrophobicContact CE2-CB 3.62Å; F121-P136 HydrophobicContact CZ-CB 3.94Å
122	H	97.4	Very high	97	Very high	71 Å²	71	55.6 Å²	55.6	33%	0.329	28%	0.284	S	S	.	.			trans	-132	128.4	174.1	-169.5	-83.9	0	0	0	109.4	H108 P120 Q125 E331	H108-H122 PolarHBondContact ND1-O 2.94Å; P120-H122 PolarHBondContact O-N 3.39Å; H122-Q125 PolarHBondContact CE1-NE2 2.91Å; H122-E331 IonicContact CD2-OE1 3.63Å; H122-E331 IonicContact CD2-OE2 3.58Å; H122-E331 PolarHBondContact CD2-OE2 2.9Å; H122-E331 IonicContact CE1-OE2 2.69Å; H122-E331 IonicContact NE2-OE1 2.66Å; H122-E331 IonicContact NE2-OE2 3.85Å; H122-E331 PolarHBondContact NE2-OE2 2.9Å
123	Q	98.2	Very high	97.1	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.019	26%	0.263	C	S	.	.			trans	-80.8	157.4	-168.2	-173.3	57	-79.4	0	0	111.8	S107 H108 F121 Q125 F127 L128 F133 L134 E135	S107-Q123 VanDerWaalsContact CA-OE1 3.27Å; S107-Q123 VanDerWaalsContact CB-OE1 3.23Å; H108-Q123 VanDerWaalsContact ND1-C 3.31Å; H108-Q123 PolarHBondContact ND1-O 3.39Å; F121-Q123 HydrophobicContact CE1-CB 4.07Å; F121-Q123 HydrophobicContact CZ-CB 4.31Å; Q123-Q125 PolarHBondContact O-N 2.95Å; Q123-F127 HydrophobicContact CG-CD1 3.88Å; Q123-L128 HydrophobicContact CB-CB 4.24Å; Q123-L128 HydrophobicContact CB-CD2 4.38Å; Q123-L128 HydrophobicContact CG-CB 3.78Å; Q123-L128 HydrophobicContact CG-CD1 4.4Å; Q123-F133 PolarHBondContact NE2-O 2.9Å; Q123-L134 HydrophobicContact CB-CD2 4.13Å; Q123-E135 PolarHBondContact NE2-O 3.48Å; Q123-E135 VanDerWaalsContact NE2-O 3.07Å
124	N	98.3	Very high	97.2	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.144	25%	0.25	C	C	.	.			trans	-64.1	123	165.2	178.2	-94.3	0	0	0	109.9	H108 D126 F127 L128 A210	H108-N124 PolarHBondContact ND1-N 2.9Å; N124-D126 VanDerWaalsContact C-N 3.32Å; N124-D126 PolarHBondContact O-N 2.95Å; N124-D126 PolarHBondContact OD1-N 3.06Å; N124-F127 HydrophobicContact CB-CB 3.98Å; N124-F127 WeakPolarHBondContact O-CB 3.34Å; N124-F127 PolarHBondContact O-N 2.9Å; N124-F127 VanDerWaalsContact O-N 3.15Å; N124-F127 PolarHBondContact OD1-N 2.95Å; N124-L128 WeakPolarHBondContact O-CB 3.35Å; N124-L128 PolarHBondContact O-N 3.24Å; N124-A210 HydrophobicContact CB-CB 4.28Å; N124-A210 WeakPolarHBondContact ND2-CB 3.3Å
125	Q	97.9	Very high	97.2	Very high	9 Å²	9	43.9 Å²	43.9	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-29.9	-172	-60.6	-59.9	20.2	0	0	114.4	H122 Q123 Y129 M425 D426	H122-Q125 PolarHBondContact CE1-NE2 2.91Å; Q123-Q125 PolarHBondContact O-N 2.95Å; Q125-Y129 WeakPolarHBondContact O-CB 3.37Å; Q125-Y129 PolarHBondContact O-N 2.88Å; Q125-M425 HydrophobicContact CB-CB 4.17Å; Q125-M425 HydrophobicContact CB-CE 4.32Å; Q125-M425 HydrophobicContact CG-CB 4.13Å; Q125-M425 PolarHBondContact NE2-O 2.91Å; Q125-M425 VanDerWaalsContact OE1-CE 3.31Å; Q125-D426 WeakPolarHBondContact CG-OD1 3.4Å
126	D	98.4	Very high	97.4	Very high	18 Å²	18	37.4 Å²	37.4	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-40.8	174.2	-69	-25.8	0	0	0	111.6	V105 N124 L130 I236 H237 R240	V105-D126 HydrophobicContact CG1-CB 4.3Å; N124-D126 VanDerWaalsContact C-N 3.32Å; N124-D126 PolarHBondContact O-N 2.95Å; N124-D126 PolarHBondContact OD1-N 3.06Å; D126-L130 WeakPolarHBondContact O-CG 3.34Å; D126-L130 PolarHBondContact O-N 3.06Å; D126-I236 HydrophobicContact CB-CD1 4.07Å; D126-I236 HydrophobicContact CB-CG2 4.03Å; D126-I236 VanDerWaalsContact OD1-CG2 3.24Å; D126-I236 WeakPolarHBondContact OD1-CG2 3.47Å; D126-H237 IonicContact OD1-CD2 3.32Å; D126-H237 IonicContact OD1-NE2 3.8Å; D126-H237 IonicContact OD2-NE2 2.94Å; D126-R240 WeakPolarHBondContact OD1-CD 3.38Å; D126-R240 IonicContact OD1-CZ 3.36Å; D126-R240 IonicContact OD1-NE 2.96Å; D126-R240 IonicContact OD1-NH1 2.76Å; D126-R240 PolarHBondContact OD1-NH1 3.44Å
127	F	98.8	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-46.7	172.5	-178.9	-91.9	0	0	0	111.3	V105 Q123 N124 L130 T131 F133 L140 L153	V105-F127 HydrophobicContact CG1-CB 3.92Å; V105-F127 HydrophobicContact CG1-CD2 4.41Å; Q123-F127 HydrophobicContact CG-CD1 3.88Å; N124-F127 HydrophobicContact CB-CB 3.98Å; N124-F127 WeakPolarHBondContact O-CB 3.34Å; N124-F127 PolarHBondContact O-N 2.9Å; N124-F127 VanDerWaalsContact O-N 3.15Å; N124-F127 PolarHBondContact OD1-N 2.95Å; F127-L130 PolarHBondContact O-N 3.21Å; F127-T131 HydrophobicContact CD2-CG2 4.39Å; F127-T131 HydrophobicContact CE1-CG2 4.45Å; F127-T131 WeakPolarHBondContact CE1-OG1 3.44Å; F127-T131 HydrophobicContact CE2-CG2 4.15Å; F127-T131 HydrophobicContact CZ-CG2 4.19Å; F127-T131 WeakPolarHBondContact O-CB 3.42Å; F127-T131 WeakPolarHBondContact O-CG2 3.08Å; F127-T131 PolarHBondContact O-N 2.71Å; F127-T131 VanDerWaalsContact O-N 3.11Å; F127-T131 PolarHBondContact O-OG1 3.24Å; F127-F133 HydrophobicContact CE1-CB 3.96Å; F127-F133 HydrophobicContact CE1-CD1 4.1Å; F127-F133 WeakPolarHBondContact CE1-O 3.28Å; F127-F133 HydrophobicContact CZ-CB 4.38Å; F127-F133 HydrophobicContact CZ-CD1 4.13Å; F127-L140 HydrophobicContact CD2-CB 4.22Å; F127-L140 HydrophobicContact CE2-CB 4.03Å; F127-L153 HydrophobicContact CE2-CD1 4.23Å; F127-L153 HydrophobicContact CZ-CD1 3.97Å
128	L	98.8	Very high	97.9	Very high	13 Å²	13	27 Å²	27	7%	0.068	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-46	178.8	-175.1	57.1	0	0	0	110.7	F74 Q123 N124 L130 T131 G132 L134 M425	F74-L128 WeakPolarHBondContact CE1-O 3.41Å; Q123-L128 HydrophobicContact CB-CB 4.24Å; Q123-L128 HydrophobicContact CB-CD2 4.38Å; Q123-L128 HydrophobicContact CG-CB 3.78Å; Q123-L128 HydrophobicContact CG-CD1 4.4Å; N124-L128 WeakPolarHBondContact O-CB 3.35Å; N124-L128 PolarHBondContact O-N 3.24Å; L128-L130 PolarHBondContact O-N 3.04Å; L128-T131 PolarHBondContact O-N 2.99Å; L128-G132 PolarHBondContact O-N 3.04Å; L128-L134 HydrophobicContact CD1-CD2 3.51Å; L128-L134 HydrophobicContact CD1-CG 3.93Å; L128-L134 HydrophobicContact CD2-CD2 3.98Å; L128-L134 HydrophobicContact CG-CD2 4.4Å; L128-M425 HydrophobicContact CB-CE 3.92Å; L128-M425 HydrophobicContact CD2-CE 3.77Å; L128-M425 HydrophobicContact CG-CE 3.8Å
129	Y	98.9	Very high	98	Very high	6 Å²	6	23.9 Å²	23.9	2%	0.024	12%	0.119	C	C	.	.	H	α-helix	trans	-55.5	-38.4	179.3	-179.2	-105.2	0	0	0	112.5	F74 R77 Q125 I236 L239 R240 M425	F74-Y129 VanDerWaalsContact CD1-O 3.24Å; F74-Y129 WeakPolarHBondContact CD1-O 3.18Å; F74-Y129 WeakPolarHBondContact CE1-O 3.42Å; R77-Y129 HydrophobicContact CB-CD1 4.46Å; R77-Y129 HydrophobicContact CB-CE1 3.93Å; R77-Y129 WeakPolarHBondContact CD-O 3.17Å; R77-Y129 HydrophobicContact CG-CE1 3.85Å; R77-Y129 HydrophobicContact CG-CE2 4.28Å; R77-Y129 PolarHBondContact NH1-O 3.35Å; Q125-Y129 WeakPolarHBondContact O-CB 3.37Å; Q125-Y129 PolarHBondContact O-N 2.88Å; Y129-I236 HydrophobicContact CD1-CG2 4.24Å; Y129-L239 HydrophobicContact CE1-CB 3.91Å; Y129-L239 HydrophobicContact CE1-CD1 4.46Å; Y129-L239 PolarHBondContact OH-O 3.42Å; Y129-R240 HydrophobicContact CD1-CG 3.93Å; Y129-R240 HydrophobicContact CD2-CG 3.73Å; Y129-R240 HydrophobicContact CE1-CG 4.08Å; Y129-R240 HydrophobicContact CE2-CG 3.87Å; Y129-R240 HydrophobicContact CG-CG 3.76Å; Y129-M425 HydrophobicContact CD2-SD 3.7Å; Y129-M425 HydrophobicContact CG-SD 4.22Å
130	L	98.8	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-89.3	-15.7	-176.4	-65.2	173.6	0	0	0	114.5	R77 R78 L81 V105 D126 F127 L128 L140 I236	R77-L130 HydrophobicContact CB-CD2 4.25Å; R78-L130 HydrophobicContact CG-CB 4.37Å; R78-L130 HydrophobicContact CG-CD2 4.37Å; R78-L130 WeakPolarHBondContact CG-O 3.12Å; R78-L130 PolarHBondContact NH1-O 3.37Å; L81-L130 HydrophobicContact CD2-CD1 3.73Å; L81-L130 HydrophobicContact CD2-CD2 4.03Å; V105-L130 HydrophobicContact CG2-CD1 3.93Å; D126-L130 WeakPolarHBondContact O-CG 3.34Å; D126-L130 PolarHBondContact O-N 3.06Å; F127-L130 PolarHBondContact O-N 3.21Å; L128-L130 PolarHBondContact O-N 3.04Å; L130-L140 HydrophobicContact CB-CD2 3.61Å; L130-L140 HydrophobicContact CD1-CD2 4Å; L130-L140 HydrophobicContact CG-CD2 4.45Å; L130-I236 HydrophobicContact CD1-CD1 3.96Å; L130-I236 HydrophobicContact CD1-CG1 4.47Å
131	T	98.8	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-127.5	-31.4	-170.5	65.6	0	0	0	0	115.2	F127 L128 F133 L140 L153	F127-T131 HydrophobicContact CD2-CG2 4.39Å; F127-T131 HydrophobicContact CE1-CG2 4.45Å; F127-T131 WeakPolarHBondContact CE1-OG1 3.44Å; F127-T131 HydrophobicContact CE2-CG2 4.15Å; F127-T131 HydrophobicContact CZ-CG2 4.19Å; F127-T131 WeakPolarHBondContact O-CB 3.42Å; F127-T131 WeakPolarHBondContact O-CG2 3.08Å; F127-T131 PolarHBondContact O-N 2.71Å; F127-T131 VanDerWaalsContact O-N 3.11Å; F127-T131 PolarHBondContact O-OG1 3.24Å; L128-T131 PolarHBondContact O-N 2.99Å; T131-F133 PolarHBondContact O-N 2.9Å; T131-F133 WeakPolarHBondContact OG1-CB 3.4Å; T131-F133 PolarHBondContact OG1-N 2.82Å; T131-L140 HydrophobicContact CG2-CB 3.97Å; T131-L140 HydrophobicContact CG2-CD1 4.12Å; T131-L140 HydrophobicContact CG2-CD2 3.77Å; T131-L140 HydrophobicContact CG2-CG 4.16Å; T131-L153 HydrophobicContact CG2-CD1 4.16Å
132	G	98.3	Very high	98.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.			trans	67.2	8.7	-166.6	0	0	0	0	0	113.7	Q50 T66 F74 L128	Q50-G132 PolarHBondContact NE2-O 2.78Å; T66-G132 WeakPolarHBondContact CG2-O 3.3Å; F74-G132 VanDerWaalsContact CE1-CA 3.44Å; F74-G132 VanDerWaalsContact CZ-CA 3.44Å; L128-G132 PolarHBondContact O-N 3.04Å
133	F	98.6	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.			trans	-92.1	124.7	-173	-166.2	-114.6	0	0	0	111.3	Q50 Q123 F127 T131 E135 S138 L153 V155 A170 A175 T179	Q50-F133 VanDerWaalsContact OE1-CD2 3.29Å; Q123-F133 PolarHBondContact NE2-O 2.9Å; F127-F133 HydrophobicContact CE1-CB 3.96Å; F127-F133 HydrophobicContact CE1-CD1 4.1Å; F127-F133 WeakPolarHBondContact CE1-O 3.28Å; F127-F133 HydrophobicContact CZ-CB 4.38Å; F127-F133 HydrophobicContact CZ-CD1 4.13Å; T131-F133 PolarHBondContact O-N 2.9Å; T131-F133 WeakPolarHBondContact OG1-CB 3.4Å; T131-F133 PolarHBondContact OG1-N 2.82Å; F133-E135 HydrophobicContact CD1-CB 4.29Å; F133-E135 HydrophobicContact CE1-CB 3.54Å; F133-E135 HydrophobicContact CE1-CG 4.13Å; F133-E135 HydrophobicContact CE2-CB 4.43Å; F133-E135 HydrophobicContact CE2-CG 4.1Å; F133-E135 HydrophobicContact CZ-CB 3.62Å; F133-E135 HydrophobicContact CZ-CG 3.68Å; F133-S138 WeakPolarHBondContact CE1-OG 3.35Å; F133-L153 HydrophobicContact CD1-CD2 4.49Å; F133-L153 HydrophobicContact CG-CD2 4.37Å; F133-V155 HydrophobicContact CD1-CG1 4.29Å; F133-V155 HydrophobicContact CE1-CB 4.24Å; F133-V155 HydrophobicContact CE1-CG1 3.48Å; F133-V155 VanDerWaalsContact CE1-CG1 3.48Å; F133-V155 HydrophobicContact CZ-CB 4.28Å; F133-V155 HydrophobicContact CZ-CG1 3.64Å; F133-A170 HydrophobicContact CE2-CB 3.98Å; F133-A170 HydrophobicContact CZ-CB 4.23Å; F133-A175 HydrophobicContact CE2-CB 3.93Å; F133-A175 HydrophobicContact CZ-CB 4.22Å; F133-T179 HydrophobicContact CB-CG2 4.21Å; F133-T179 HydrophobicContact CD2-CG2 4.06Å; F133-T179 HydrophobicContact CG-CG2 4.48Å
134	L	97.6	Very high	98	Very high	58 Å²	58	10.4 Å²	10.4	30%	0.304	5%	0.054	S	C	.	.			trans	-110.3	17.8	-169	-71.6	169.3	0	0	0	113	Q50 T66 F121 Q123 L128	Q50-L134 HydrophobicContact CB-CB 3.9Å; Q50-L134 HydrophobicContact CB-CD1 4.34Å; T66-L134 HydrophobicContact CG2-CD1 4.39Å; F121-L134 VanDerWaalsContact CD1-O 3.32Å; F121-L134 WeakPolarHBondContact CD1-O 3.28Å; F121-L134 WeakPolarHBondContact CE1-O 3.33Å; Q123-L134 HydrophobicContact CB-CD2 4.13Å; L128-L134 HydrophobicContact CD1-CD2 3.51Å; L128-L134 HydrophobicContact CD1-CG 3.93Å; L128-L134 HydrophobicContact CD2-CD2 3.98Å; L128-L134 HydrophobicContact CG-CD2 4.4Å
135	E	97.7	Very high	97.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	8%	0.079	C	C	.	.			trans	-98.6	146.9	172.2	-55.9	-177.3	-160.2	0	0	111.3	G49 Q123 F133 R169 A170	G49-E135 WeakPolarHBondContact CA-OE1 3.37Å; G49-E135 PolarHBondContact N-OE1 3.33Å; Q123-E135 PolarHBondContact NE2-O 3.48Å; Q123-E135 VanDerWaalsContact NE2-O 3.07Å; F133-E135 HydrophobicContact CD1-CB 4.29Å; F133-E135 HydrophobicContact CE1-CB 3.54Å; F133-E135 HydrophobicContact CE1-CG 4.13Å; F133-E135 HydrophobicContact CE2-CB 4.43Å; F133-E135 HydrophobicContact CE2-CG 4.1Å; F133-E135 HydrophobicContact CZ-CB 3.62Å; F133-E135 HydrophobicContact CZ-CG 3.68Å; E135-R169 WeakPolarHBondContact OE2-CA 3.41Å; E135-R169 WeakPolarHBondContact OE2-CD 3.42Å; E135-A170 WeakPolarHBondContact OE1-CA 3.49Å; E135-A170 WeakPolarHBondContact OE1-CB 3.33Å; E135-A170 PolarHBondContact OE1-N 3.05Å; E135-A170 PolarHBondContact OE2-N 3.06Å
136	P	97.7	Very high	97	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.026	9%	0.09	C	C	.	.	S	Bend	trans	-72.5	-178.5	178.7	31.8	-37.3	0	0	0	112.1	H108 I110 F121 S138 P156	H108-P136 WeakPolarHBondContact O-CA 3.47Å; I110-P136 HydrophobicContact CD1-CG 4.07Å; I110-P136 HydrophobicContact CG1-CB 3.93Å; I110-P136 HydrophobicContact CG1-CG 3.77Å; F121-P136 HydrophobicContact CD2-CB 4.15Å; F121-P136 HydrophobicContact CE2-CB 3.62Å; F121-P136 HydrophobicContact CZ-CB 3.94Å; P136-S138 PolarHBondContact O-N 3.41Å; P136-S138 VanDerWaalsContact O-N 3.11Å; P136-S138 PolarHBondContact O-OG 3.12Å; P136-P156 WeakPolarHBondContact O-CG 3.38Å
137	D	97.6	Very high	96.6	Very high	25 Å²	25	22.6 Å²	22.6	13%	0.134	10%	0.101	C	C	.	.	S	Bend	trans	54	37.1	167.4	-62.9	-15.6	0	0	0	113.9	S107 H108 P156 T187 H211 R213	S107-D137 PolarHBondContact OG-N 3.14Å; S107-D137 VanDerWaalsContact OG-N 3.09Å; H108-D137 PolarHBondContact O-N 3.06Å; D137-P156 HydrophobicContact CB-CG 3.72Å; D137-T187 WeakPolarHBondContact O-CG2 3.28Å; D137-T187 PolarHBondContact O-OG1 2.91Å; D137-H211 IonicContact OD1-CD2 3.51Å; D137-H211 IonicContact OD1-CE1 3.85Å; D137-H211 IonicContact OD1-NE2 3.61Å; D137-H211 PolarHBondContact OD1-NE2 2.97Å; D137-R213 IonicContact OD1-NH2 3.61Å; D137-R213 PolarHBondContact OD1-NH2 2.94Å; D137-R213 IonicContact OD2-CZ 3.75Å; D137-R213 IonicContact OD2-NH2 2.76Å; D137-R213 PolarHBondContact OD2-NH2 2.89Å
138	S	98.6	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.101	C	C	.	.			trans	-124.5	162.2	-172.4	-62.7	0	0	0	0	112.1	S107 F133 P136 F154 P156	S107-S138 WeakPolarHBondContact CB-O 3.46Å; S107-S138 PolarHBondContact N-O 3.04Å; S107-S138 PolarHBondContact OG-N 2.97Å; S107-S138 PolarHBondContact OG-O 3.31Å; F133-S138 WeakPolarHBondContact CE1-OG 3.35Å; P136-S138 PolarHBondContact O-N 3.41Å; P136-S138 VanDerWaalsContact O-N 3.11Å; P136-S138 PolarHBondContact O-OG 3.12Å; S138-F154 CarbonylContact C-O 3.42Å; S138-F154 WeakPolarHBondContact CA-O 3.39Å; S138-F154 WeakPolarHBondContact CB-O 3.43Å; S138-P156 WeakPolarHBondContact OG-CD 3.44Å
139	A	98.8	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.1	176.8	0	0	0	0	0	112.2	V105 L106 F154 L190	V105-A139 WeakPolarHBondContact O-CA 3.34Å; L106-A139 HydrophobicContact CD2-CB 3.65Å; A139-F154 HydrophobicContact CB-CB 4.2Å; A139-F154 HydrophobicContact CB-CD2 4.44Å; A139-F154 PolarHBondContact N-O 3.45Å; A139-F154 PolarHBondContact O-N 2.97Å; A139-L190 HydrophobicContact CB-CD1 4.23Å; A139-L190 HydrophobicContact CB-CD2 3.74Å
140	L	98.8	Very high	95.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.1	168.7	176.2	68.6	0	0	0	108	V104 V105 F127 L130 T131 L142 A151 I181	V104-L140 WeakPolarHBondContact CA-O 3.41Å; V105-L140 HydrophobicContact CB-CB 4.43Å; V105-L140 PolarHBondContact N-O 2.89Å; V105-L140 PolarHBondContact O-N 2.88Å; F127-L140 HydrophobicContact CD2-CB 4.22Å; F127-L140 HydrophobicContact CE2-CB 4.03Å; L130-L140 HydrophobicContact CB-CD2 3.61Å; L130-L140 HydrophobicContact CD1-CD2 4Å; L130-L140 HydrophobicContact CG-CD2 4.45Å; T131-L140 HydrophobicContact CG2-CB 3.97Å; T131-L140 HydrophobicContact CG2-CD1 4.12Å; T131-L140 HydrophobicContact CG2-CD2 3.77Å; T131-L140 HydrophobicContact CG2-CG 4.16Å; L140-L142 HydrophobicContact CD1-CD2 4Å; L140-L142 HydrophobicContact CD2-CD2 4.12Å; L140-L142 HydrophobicContact CD2-CG 4.36Å; L140-L142 HydrophobicContact CG-CD2 4.08Å; L140-L142 HydrophobicContact CG-CG 4.4Å; L140-A151 HydrophobicContact CD1-CB 4.35Å; L140-I181 HydrophobicContact CD1-CD1 3.99Å
141	V	98.4	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.2	170.5	178.6	0	0	0	0	108.5	V102 A103 V104 A151 I152 F154 L190 L194 L197	V102-V141 HydrophobicContact CG1-CG1 3.99Å; A103-V141 CarbonylContact O-C 3.51Å; A103-V141 WeakPolarHBondContact O-CA 3.43Å; V104-V141 HydrophobicContact CG2-CG2 4.36Å; V141-A151 CarbonylContact O-C 3.51Å; V141-I152 HydrophobicContact CB-CB 4.45Å; V141-I152 PolarHBondContact N-O 3.36Å; V141-I152 PolarHBondContact O-N 2.65Å; V141-F154 HydrophobicContact CB-CE2 3.95Å; V141-F154 HydrophobicContact CG2-CD2 4.01Å; V141-F154 HydrophobicContact CG2-CE2 3.5Å; V141-F154 HydrophobicContact CG2-CZ 4.47Å; V141-L190 HydrophobicContact CG2-CD1 3.75Å; V141-L194 HydrophobicContact CG2-CD2 4.32Å; V141-L197 HydrophobicContact CG1-CD1 4.41Å
142	L	97.9	Very high	95.7	Very high	3 Å²	3	30 Å²	30	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.6	166.6	-49.8	180	0	0	0	108.9	R78 L81 V102 A103 L140 P148 Q150 A151	R78-L142 HydrophobicContact CB-CD1 4.45Å; R78-L142 HydrophobicContact CB-CD2 4.39Å; R78-L142 HydrophobicContact CG-CD2 4.24Å; L81-L142 HydrophobicContact CD2-CD1 3.91Å; V102-L142 CarbonylContact C-O 3.57Å; V102-L142 VanDerWaalsContact CA-O 3.29Å; V102-L142 WeakPolarHBondContact CA-O 3.24Å; A103-L142 HydrophobicContact CB-CB 4.17Å; A103-L142 PolarHBondContact N-O 3.18Å; A103-L142 PolarHBondContact O-N 3.21Å; L140-L142 HydrophobicContact CD1-CD2 4Å; L140-L142 HydrophobicContact CD2-CD2 4.12Å; L140-L142 HydrophobicContact CD2-CG 4.36Å; L140-L142 HydrophobicContact CG-CD2 4.08Å; L140-L142 HydrophobicContact CG-CG 4.4Å; L142-P148 HydrophobicContact CB-CB 3.89Å; L142-P148 HydrophobicContact CB-CG 4.5Å; L142-P148 WeakPolarHBondContact CB-O 3.31Å; L142-Q150 CarbonylContact C-O 3.59Å; L142-Q150 VanDerWaalsContact CA-O 3.25Å; L142-Q150 WeakPolarHBondContact CA-O 3.35Å; L142-A151 HydrophobicContact CD2-CB 3.72Å
143	Y	95.7	Very high	95.7	Very high	47 Å²	47	30 Å²	30	18%	0.184	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.8	-179.6	81.8	-81.4	0	0	0	112.8	H101 P148 D149 Q150 I152 R183 L197	H101-Y143 VanDerWaalsContact O-CA 3.26Å; H101-Y143 WeakPolarHBondContact O-CA 3.49Å; Y143-P148 CarbonylContact O-C 3.42Å; Y143-D149 PolarHBondContact O-N 2.89Å; Y143-Q150 HydrophobicContact CD1-CB 4.02Å; Y143-Q150 WeakPolarHBondContact CD1-O 3.42Å; Y143-Q150 HydrophobicContact CE1-CB 3.64Å; Y143-Q150 HydrophobicContact CE2-CB 4.49Å; Y143-Q150 VanDerWaalsContact CZ-OE1 3.25Å; Y143-Q150 PolarHBondContact N-O 2.93Å; Y143-Q150 WeakPolarHBondContact O-CB 3.44Å; Y143-Q150 PolarHBondContact O-N 2.93Å; Y143-Q150 PolarHBondContact OH-OE1 3.19Å; Y143-I152 HydrophobicContact CD1-CD1 3.99Å; Y143-I152 HydrophobicContact CD1-CG1 4.19Å; Y143-I152 HydrophobicContact CE1-CD1 3.66Å; Y143-I152 HydrophobicContact CE1-CG1 3.85Å; Y143-R183 PolarHBondContact OH-NH1 2.8Å; Y143-R183 PolarHBondContact OH-NH2 3.31Å; Y143-L197 HydrophobicContact CD2-CD2 4.15Å
144	G	93.3	Very high	95.7	Very high	8 Å²	8	30 Å²	30	8%	0.082	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	177.3	178.8	0	0	0	0	0	112.8	N100 H101 R147	N100-G144 WeakPolarHBondContact CA-O 3.19Å; H101-G144 PolarHBondContact N-O 3.47Å; H101-G144 PolarHBondContact O-N 3.32Å; H101-G144 VanDerWaalsContact O-N 3.12Å; G144-R147 CarbonylContact C-O 3.23Å; G144-R147 VanDerWaalsContact C-O 3.23Å; G144-R147 WeakPolarHBondContact CA-O 3.22Å
145	R	90.2	Very high	95.8	Very high	182 Å²	182	27.3 Å²	27.3	69%	0.687	13%	0.126	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	136.7	176.5	-174.6	177.2	179.5	-175.2	-0.6	109.3	S98 R147	S98-R145 PolarHBondContact O-NE 3.15Å; R145-R147 PolarHBondContact O-N 2.78Å
146	T	85.8	Confident	95.7	Very high	44 Å²	44	28.2 Å²	28.2	27%	0.27	13%	0.132	S	C	.	.	S	Bend	trans	65.7	-36.5	-171.4	-64.9	0	0	0	0	113.9	E86 S97 G99 H101	E86-T146 HydrophobicContact CG-CG2 3.96Å; S97-T146 WeakPolarHBondContact O-CA 3.42Å; S97-T146 WeakPolarHBondContact O-CB 3.27Å; S97-T146 WeakPolarHBondContact O-CG2 3.46Å; S97-T146 PolarHBondContact O-OG1 3.48Å; G99-T146 PolarHBondContact O-N 3.2Å; H101-T146 PolarHBondContact CD2-O 3.14Å
147	R	88.8	Confident	95.5	Very high	84 Å²	84	35 Å²	35	32%	0.317	16%	0.157	S	C	.	.	S	Bend	trans	-150.1	152.2	172.5	70.1	-171	-172.7	-174.2	3.7	111.5	A82 L83 E86 G144 R145 D149	A82-R147 HydrophobicContact CB-CB 4.45Å; L83-R147 VanDerWaalsContact CD2-NH1 3.34Å; E86-R147 HydrophobicContact CB-CB 3.95Å; E86-R147 HydrophobicContact CG-CB 4.42Å; E86-R147 VanDerWaalsContact OE2-CD 3.3Å; E86-R147 WeakPolarHBondContact OE2-CD 3.39Å; E86-R147 IonicContact OE2-NH1 3.68Å; G144-R147 CarbonylContact C-O 3.23Å; G144-R147 VanDerWaalsContact C-O 3.23Å; G144-R147 WeakPolarHBondContact CA-O 3.22Å; R145-R147 PolarHBondContact O-N 2.78Å; R147-D149 HydrophobicContact CG-CB 4.06Å; R147-D149 IonicContact CZ-OD2 2.9Å; R147-D149 IonicContact NE-OD2 3.66Å; R147-D149 PolarHBondContact NE-OD2 3.27Å; R147-D149 IonicContact NH2-OD2 3.51Å; R147-D149 PolarHBondContact NH2-OD2 3.34Å; R147-D149 PolarHBondContact O-N 3.2Å
148	P	91.5	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	17%	0.171	C	C	.	.			trans	-87.9	72.6	178.5	34.7	-34.1	0	0	0	111.9	A82 I85 H101 L142 Y143	A82-P148 HydrophobicContact CB-CG 4.34Å; A82-P148 WeakPolarHBondContact CB-O 3.47Å; I85-P148 HydrophobicContact CB-CG 4.28Å; I85-P148 HydrophobicContact CD1-CG 3.53Å; I85-P148 HydrophobicContact CG2-CG 4.06Å; H101-P148 HydrophobicContact CB-CB 4.32Å; H101-P148 HydrophobicContact CB-CG 4.34Å; L142-P148 HydrophobicContact CB-CB 3.89Å; L142-P148 HydrophobicContact CB-CG 4.5Å; L142-P148 WeakPolarHBondContact CB-O 3.31Å; Y143-P148 CarbonylContact O-C 3.42Å
149	D	92.7	Very high	95.2	Very high	66 Å²	66	42.4 Å²	42.4	35%	0.353	19%	0.189	S	C	.	.			trans	-93.8	3.2	-175.1	60.7	0.6	0	0	0	115.1	A82 Y143 R147	A82-D149 HydrophobicContact CB-CB 4.24Å; Y143-D149 PolarHBondContact O-N 2.89Å; R147-D149 HydrophobicContact CG-CB 4.06Å; R147-D149 IonicContact CZ-OD2 2.9Å; R147-D149 IonicContact NE-OD2 3.66Å; R147-D149 PolarHBondContact NE-OD2 3.27Å; R147-D149 IonicContact NH2-OD2 3.51Å; R147-D149 PolarHBondContact NH2-OD2 3.34Å; R147-D149 PolarHBondContact O-N 3.2Å
150	Q	95.6	Very high	94.9	Very high	83 Å²	83	47.4 Å²	47.4	39%	0.388	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133	174.8	-52.8	-171.4	25.5	0	0	111.4	L142 Y143	L142-Q150 CarbonylContact C-O 3.59Å; L142-Q150 VanDerWaalsContact CA-O 3.25Å; L142-Q150 WeakPolarHBondContact CA-O 3.35Å; Y143-Q150 HydrophobicContact CD1-CB 4.02Å; Y143-Q150 WeakPolarHBondContact CD1-O 3.42Å; Y143-Q150 HydrophobicContact CE1-CB 3.64Å; Y143-Q150 HydrophobicContact CE2-CB 4.49Å; Y143-Q150 VanDerWaalsContact CZ-OE1 3.25Å; Y143-Q150 PolarHBondContact N-O 2.93Å; Y143-Q150 WeakPolarHBondContact O-CB 3.44Å; Y143-Q150 PolarHBondContact O-N 2.93Å; Y143-Q150 PolarHBondContact OH-OE1 3.19Å
151	A	97.9	Very high	94.8	Very high	17 Å²	17	49.3 Å²	49.3	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.2	-177.8	0	0	0	0	0	113	L140 V141 L142 I181	L140-A151 HydrophobicContact CD1-CB 4.35Å; V141-A151 CarbonylContact O-C 3.51Å; L142-A151 HydrophobicContact CD2-CB 3.72Å; A151-I181 HydrophobicContact CB-CG1 4.49Å; A151-I181 HydrophobicContact CB-CG2 4.16Å
152	I	98.4	Very high	94.4	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.8	167.4	-55	176.7	0	0	0	107.9	V141 Y143 F154 R183 V193	V141-I152 HydrophobicContact CB-CB 4.45Å; V141-I152 PolarHBondContact N-O 3.36Å; V141-I152 PolarHBondContact O-N 2.65Å; Y143-I152 HydrophobicContact CD1-CD1 3.99Å; Y143-I152 HydrophobicContact CD1-CG1 4.19Å; Y143-I152 HydrophobicContact CE1-CD1 3.66Å; Y143-I152 HydrophobicContact CE1-CG1 3.85Å; I152-F154 HydrophobicContact CB-CE2 3.97Å; I152-F154 HydrophobicContact CB-CZ 4.47Å; I152-F154 HydrophobicContact CG2-CD2 4.08Å; I152-F154 HydrophobicContact CG2-CE1 4.43Å; I152-F154 HydrophobicContact CG2-CE2 3.42Å; I152-F154 VanDerWaalsContact CG2-CE2 3.42Å; I152-F154 HydrophobicContact CG2-CZ 3.63Å; I152-R183 WeakPolarHBondContact CA-O 3.48Å; I152-R183 HydrophobicContact CG1-CB 4.24Å; I152-R183 HydrophobicContact CG2-CB 4.43Å; I152-V193 HydrophobicContact CD1-CG1 4.18Å
153	L	98.8	Very high	94.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.7	172.6	-170.6	68	0	0	0	109.8	F127 T131 F133 V155 A175 T179 I181 R183 V184 H185	F127-L153 HydrophobicContact CE2-CD1 4.23Å; F127-L153 HydrophobicContact CZ-CD1 3.97Å; T131-L153 HydrophobicContact CG2-CD1 4.16Å; F133-L153 HydrophobicContact CD1-CD2 4.49Å; F133-L153 HydrophobicContact CG-CD2 4.37Å; L153-V155 HydrophobicContact CD2-CG1 3.84Å; L153-V155 HydrophobicContact CG-CG1 3.85Å; L153-A175 HydrophobicContact CD2-CB 4.07Å; L153-T179 HydrophobicContact CD2-CG2 4.12Å; L153-I181 HydrophobicContact CB-CB 4.47Å; L153-I181 HydrophobicContact CB-CD1 4.08Å; L153-I181 HydrophobicContact CB-CG2 4.07Å; L153-I181 HydrophobicContact CD1-CD1 4.49Å; L153-I181 HydrophobicContact CD2-CD1 4.46Å; L153-R183 PolarHBondContact N-O 3.13Å; L153-V184 HydrophobicContact CB-CG1 4.39Å; L153-V184 HydrophobicContact CB-CG2 4.22Å; L153-V184 CarbonylContact O-C 3.51Å; L153-V184 WeakPolarHBondContact O-CA 3.47Å; L153-H185 PolarHBondContact O-N 3.11Å
154	F	98.8	Very high	94.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.4	174.7	-65	-96.3	0	0	0	108.1	S138 A139 V141 I152 H185 E189 L190 V193	S138-F154 CarbonylContact C-O 3.42Å; S138-F154 WeakPolarHBondContact CA-O 3.39Å; S138-F154 WeakPolarHBondContact CB-O 3.43Å; A139-F154 HydrophobicContact CB-CB 4.2Å; A139-F154 HydrophobicContact CB-CD2 4.44Å; A139-F154 PolarHBondContact N-O 3.45Å; A139-F154 PolarHBondContact O-N 2.97Å; V141-F154 HydrophobicContact CB-CE2 3.95Å; V141-F154 HydrophobicContact CG2-CD2 4.01Å; V141-F154 HydrophobicContact CG2-CE2 3.5Å; V141-F154 HydrophobicContact CG2-CZ 4.47Å; I152-F154 HydrophobicContact CB-CE2 3.97Å; I152-F154 HydrophobicContact CB-CZ 4.47Å; I152-F154 HydrophobicContact CG2-CD2 4.08Å; I152-F154 HydrophobicContact CG2-CE1 4.43Å; I152-F154 HydrophobicContact CG2-CE2 3.42Å; I152-F154 VanDerWaalsContact CG2-CE2 3.42Å; I152-F154 HydrophobicContact CG2-CZ 3.63Å; F154-H185 WeakPolarHBondContact CA-O 3.14Å; F154-H185 HydrophobicContact CD1-CB 3.6Å; F154-H185 HydrophobicContact CE1-CB 3.57Å; F154-H185 HydrophobicContact CG-CB 4.46Å; F154-H185 HydrophobicContact CZ-CB 4.4Å; F154-E189 HydrophobicContact CE1-CB 4.46Å; F154-L190 HydrophobicContact CD1-CB 3.92Å; F154-L190 HydrophobicContact CD1-CD1 4.27Å; F154-L190 HydrophobicContact CD2-CD1 3.76Å; F154-L190 HydrophobicContact CE1-CB 4.19Å; F154-L190 HydrophobicContact CE1-CD1 4.26Å; F154-L190 HydrophobicContact CE2-CD1 3.75Å; F154-L190 HydrophobicContact CG-CB 4.26Å; F154-L190 HydrophobicContact CG-CD1 4.04Å; F154-L190 HydrophobicContact CZ-CD1 4Å; F154-V193 HydrophobicContact CE1-CB 4.18Å; F154-V193 HydrophobicContact CE1-CG2 3.84Å; F154-V193 HydrophobicContact CZ-CB 3.75Å; F154-V193 HydrophobicContact CZ-CG1 3.92Å; F154-V193 HydrophobicContact CZ-CG2 3.74Å
155	V	98.3	Very high	94.1	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.4	-177.4	-56.5	0	0	0	0	110.9	F133 L153 A175 V184 H185 S186 T187	F133-V155 HydrophobicContact CD1-CG1 4.29Å; F133-V155 HydrophobicContact CE1-CB 4.24Å; F133-V155 HydrophobicContact CE1-CG1 3.48Å; F133-V155 VanDerWaalsContact CE1-CG1 3.48Å; F133-V155 HydrophobicContact CZ-CB 4.28Å; F133-V155 HydrophobicContact CZ-CG1 3.64Å; L153-V155 HydrophobicContact CD2-CG1 3.84Å; L153-V155 HydrophobicContact CG-CG1 3.85Å; V155-A175 HydrophobicContact CG1-CB 3.94Å; V155-A175 HydrophobicContact CG2-CB 4.41Å; V155-V184 HydrophobicContact CG1-CG1 4.16Å; V155-V184 HydrophobicContact CG2-CG1 3.77Å; V155-H185 PolarHBondContact N-O 3.48Å; V155-S186 CarbonylContact O-C 3.58Å; V155-S186 WeakPolarHBondContact O-CA 3.29Å; V155-T187 PolarHBondContact O-N 3.1Å; V155-T187 PolarHBondContact O-OG1 2.57Å
156	P	95.4	Very high	94.1	Very high	21 Å²	21	66.5 Å²	66.5	14%	0.136	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-54.9	147.1	173.9	-27.8	36.3	0	0	0	112.3	P136 D137 S138	P136-P156 WeakPolarHBondContact O-CG 3.38Å; D137-P156 HydrophobicContact CB-CG 3.72Å; S138-P156 WeakPolarHBondContact OG-CD 3.44Å
157	R	94.8	Very high	94.5	Very high	145 Å²	145	65.6 Å²	65.6	55%	0.547	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-64.4	146.7	168.2	-63	-177.6	-175.2	-162.5	-6	109.2	D159 S186 E188	R157-D159 PolarHBondContact O-N 3.31Å; R157-S186 PolarHBondContact NE-OG 2.66Å; R157-E188 IonicContact CZ-OE2 2.7Å; R157-E188 IonicContact NE-OE2 3.83Å; R157-E188 PolarHBondContact NE-OE2 2.74Å; R157-E188 IonicContact NH2-OE2 3.45Å
158	R	94.1	Very high	94.7	Very high	110 Å²	110	63.6 Å²	63.6	42%	0.415	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.5	133.4	166.8	-64.4	-167.9	63.6	-150.7	-4.4	108.9	E163 R169	R158-E163 WeakPolarHBondContact CB-OE1 3.49Å; R158-E163 WeakPolarHBondContact CG-OE1 3.48Å; R158-E163 IonicContact CZ-OE1 2.87Å; R158-E163 IonicContact CZ-OE2 3.1Å; R158-E163 IonicContact NE-OE1 3.73Å; R158-E163 PolarHBondContact NE-OE1 2.79Å; R158-E163 IonicContact NE-OE2 3.74Å; R158-E163 IonicContact NH2-OE1 3.67Å; R158-E163 IonicContact NH2-OE2 3.8Å; R158-E163 PolarHBondContact NH2-OE2 3.49Å; R158-R169 HydrophobicContact CG-CB 4.27Å; R158-R169 PolarHBondContact NE-O 2.89Å
159	D	94.8	Very high	94.9	Very high	72 Å²	72	65.1 Å²	65.1	39%	0.385	32%	0.323	S	S	.	.			trans	-137.6	105.6	178.9	176.6	-11.3	0	0	0	107.3	R157 G161 R162 E163	R157-D159 PolarHBondContact O-N 3.31Å; D159-G161 PolarHBondContact O-N 2.88Å; D159-G161 VanDerWaalsContact O-N 3.13Å; D159-G161 WeakPolarHBondContact OD1-CA 3.31Å; D159-G161 PolarHBondContact OD1-N 3.25Å; D159-R162 HydrophobicContact CB-CB 4.16Å; D159-R162 HydrophobicContact CB-CG 4.44Å; D159-R162 PolarHBondContact O-N 3.4Å; D159-R162 VanDerWaalsContact O-N 3.08Å; D159-R162 PolarHBondContact OD1-N 3.22Å; D159-E163 WeakPolarHBondContact O-CB 3.39Å; D159-E163 WeakPolarHBondContact O-CG 3.43Å; D159-E163 PolarHBondContact O-N 3.4Å
160	P	94.1	Very high	95	Very high	104 Å²	104	62 Å²	62	68%	0.675	31%	0.306	S	S	*	.	H	α-helix	trans	-55.6	-30.9	-178.9	-26.3	35	0	0	0	113.6	L164	P160-L164 PolarHBondContact O-N 3.28Å
161	G	94.8	Very high	95	Very high	41 Å²	41	58.2 Å²	58.2	42%	0.423	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-45.2	177.6	0	0	0	0	0	111.5	D159	D159-G161 PolarHBondContact O-N 2.88Å; D159-G161 VanDerWaalsContact O-N 3.13Å; D159-G161 WeakPolarHBondContact OD1-CA 3.31Å; D159-G161 PolarHBondContact OD1-N 3.25Å
162	R	91	Very high	94.9	Very high	144 Å²	144	62 Å²	62	54%	0.543	30%	0.3	S	S	.	.	H	α-helix	trans	-74	-37.3	175	-73.8	-173.3	175.7	-132.2	-1.4	113.1	D159 L164 W165 D166	D159-R162 HydrophobicContact CB-CB 4.16Å; D159-R162 HydrophobicContact CB-CG 4.44Å; D159-R162 PolarHBondContact O-N 3.4Å; D159-R162 VanDerWaalsContact O-N 3.08Å; D159-R162 PolarHBondContact OD1-N 3.22Å; R162-L164 PolarHBondContact O-N 3.12Å; R162-W165 PolarHBondContact O-N 3.19Å; R162-D166 PolarHBondContact O-N 3.07Å
163	E	94.8	Very high	94.6	Very high	30 Å²	30	65.4 Å²	65.4	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-25.1	179.7	-72.5	-176.1	177.5	0	0	112.2	R158 D159 W165 G167 R169	R158-E163 WeakPolarHBondContact CB-OE1 3.49Å; R158-E163 WeakPolarHBondContact CG-OE1 3.48Å; R158-E163 IonicContact CZ-OE1 2.87Å; R158-E163 IonicContact CZ-OE2 3.1Å; R158-E163 IonicContact NE-OE1 3.73Å; R158-E163 PolarHBondContact NE-OE1 2.79Å; R158-E163 IonicContact NE-OE2 3.74Å; R158-E163 IonicContact NH2-OE1 3.67Å; R158-E163 IonicContact NH2-OE2 3.8Å; R158-E163 PolarHBondContact NH2-OE2 3.49Å; D159-E163 WeakPolarHBondContact O-CB 3.39Å; D159-E163 WeakPolarHBondContact O-CG 3.43Å; D159-E163 PolarHBondContact O-N 3.4Å; E163-W165 VanDerWaalsContact C-N 3.3Å; E163-W165 PolarHBondContact O-N 3.19Å; E163-G167 VanDerWaalsContact CA-O 3.26Å; E163-G167 WeakPolarHBondContact CA-O 3.37Å; E163-G167 CarbonylContact O-C 3.57Å; E163-G167 WeakPolarHBondContact O-CA 3.43Å; E163-G167 PolarHBondContact O-N 3.36Å; E163-G167 VanDerWaalsContact O-N 3.1Å; E163-R169 HydrophobicContact CG-CG 4.26Å; E163-R169 PolarHBondContact OE1-N 2.95Å
164	L	93.9	Very high	94.5	Very high	144 Å²	144	65.4 Å²	65.4	75%	0.754	32%	0.318	S	S	*	.	H	α-helix	trans	-63.2	-33.7	171.2	-178.2	62.8	0	0	0	112.9	P160 R162	P160-L164 PolarHBondContact O-N 3.28Å; R162-L164 PolarHBondContact O-N 3.12Å
165	W	91.6	Very high	94.4	Very high	215 Å²	215	65.4 Å²	65.4	81%	0.814	32%	0.318	S	S	*	.	H	α-helix	trans	-95.1	-47.7	-177.3	-63.2	97.4	0	0	0	112.4	R162 E163	R162-W165 PolarHBondContact O-N 3.19Å; E163-W165 VanDerWaalsContact C-N 3.3Å; E163-W165 PolarHBondContact O-N 3.19Å
166	D	90.6	Very high	94.3	Very high	67 Å²	67	65.8 Å²	65.8	36%	0.358	32%	0.322	S	S	.	.	H	α-helix	trans	-95	-7.8	-170.1	-61	-21.2	0	0	0	113	R162 R169	R162-D166 PolarHBondContact O-N 3.07Å; D166-R169 IonicContact OD2-NH2 3.33Å
167	G	93.3	Very high	94.3	Very high	25 Å²	25	65.1 Å²	65.1	26%	0.258	32%	0.317	S	S	.	.			trans	84.8	174.9	-168.2	0	0	0	0	0	113.7	E163	E163-G167 VanDerWaalsContact CA-O 3.26Å; E163-G167 WeakPolarHBondContact CA-O 3.37Å; E163-G167 CarbonylContact O-C 3.57Å; E163-G167 WeakPolarHBondContact O-CA 3.43Å; E163-G167 PolarHBondContact O-N 3.36Å; E163-G167 VanDerWaalsContact O-N 3.1Å
168	P	94.7	Very high	94.4	Very high	43 Å²	43	58.2 Å²	58.2	28%	0.279	29%	0.291	S	S	.	.			trans	-64.1	156.4	-172.2	24.6	-31.9	0	0	0	112.8	G49	G49-P168 WeakPolarHBondContact CA-O 3.1Å; G49-P168 PolarHBondContact N-O 3.48Å
169	R	94.9	Very high	94.5	Very high	33 Å²	33	53 Å²	53	13%	0.125	27%	0.272	C	S	.	.			trans	-116.8	147.7	170.9	-62.9	-66.7	-179.4	-147	-4.5	110.7	E135 R158 E163 D166 G171	E135-R169 WeakPolarHBondContact OE2-CA 3.41Å; E135-R169 WeakPolarHBondContact OE2-CD 3.42Å; R158-R169 HydrophobicContact CG-CB 4.27Å; R158-R169 PolarHBondContact NE-O 2.89Å; E163-R169 HydrophobicContact CG-CG 4.26Å; E163-R169 PolarHBondContact OE1-N 2.95Å; D166-R169 IonicContact OD2-NH2 3.33Å; R169-G171 VanDerWaalsContact C-N 3.27Å; R169-G171 PolarHBondContact O-N 2.87Å
170	A	95.3	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.			trans	-61.4	-40.2	-179.5	0	0	0	0	0	111.7	R46 L48 F133 E135 G174 A175	R46-A170 PolarHBondContact NH2-O 2.87Å; L48-A170 HydrophobicContact CB-CB 4.21Å; L48-A170 HydrophobicContact CD2-CB 4.27Å; F133-A170 HydrophobicContact CE2-CB 3.98Å; F133-A170 HydrophobicContact CZ-CB 4.23Å; E135-A170 WeakPolarHBondContact OE1-CA 3.49Å; E135-A170 WeakPolarHBondContact OE1-CB 3.33Å; E135-A170 PolarHBondContact OE1-N 3.05Å; E135-A170 PolarHBondContact OE2-N 3.06Å; A170-G174 WeakPolarHBondContact O-CA 3.36Å; A170-G174 PolarHBondContact O-N 3.49Å; A170-A175 HydrophobicContact CB-CB 4.17Å
171	G	94.6	Very high	94.7	Very high	4 Å²	4	46 Å²	46	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	65	-179.5	-167.3	0	0	0	0	0	112	R169 D173 G174 A175	R169-G171 VanDerWaalsContact C-N 3.27Å; R169-G171 PolarHBondContact O-N 2.87Å; G171-D173 PolarHBondContact O-N 2.87Å; G171-G174 PolarHBondContact O-N 3.02Å; G171-A175 VanDerWaalsContact O-CB 3.23Å; G171-A175 WeakPolarHBondContact O-CB 3.43Å; G171-A175 PolarHBondContact O-N 3.2Å
172	R	95.6	Very high	94.5	Very high	96 Å²	96	50.2 Å²	50.2	36%	0.362	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-46.2	-172.6	-62	-179.9	-174.8	-174.2	-0	112.8	A176 V184 S186 E189	R172-A176 VanDerWaalsContact O-CB 3.27Å; R172-A176 WeakPolarHBondContact O-CB 3.49Å; R172-A176 PolarHBondContact O-N 3.39Å; R172-V184 HydrophobicContact CB-CB 4.26Å; R172-V184 HydrophobicContact CB-CG1 4.16Å; R172-V184 HydrophobicContact CG-CG1 4.31Å; R172-S186 VanDerWaalsContact NH2-CB 3.33Å; R172-S186 PolarHBondContact NH2-OG 2.85Å; R172-E189 IonicContact CZ-OE1 3.91Å; R172-E189 IonicContact CZ-OE2 3.05Å; R172-E189 IonicContact NH1-OE1 3.94Å; R172-E189 IonicContact NH1-OE2 2.74Å; R172-E189 IonicContact NH2-OE1 3.9Å; R172-E189 PolarHBondContact NH2-OE1 3.4Å; R172-E189 IonicContact NH2-OE2 3.51Å; R172-E189 PolarHBondContact NH2-OE2 3.24Å
173	D	93.8	Very high	94.8	Very high	79 Å²	79	47.3 Å²	47.3	42%	0.422	23%	0.233	S	C	.	.	H	α-helix	trans	-68.7	-43.2	-179.5	60.4	-37.5	0	0	0	112.4	R46 G171 A177	R46-D173 IonicContact CZ-OD1 3.44Å; R46-D173 IonicContact CZ-OD2 3.64Å; R46-D173 VanDerWaalsContact CZ-OD2 3.31Å; R46-D173 IonicContact NH1-OD1 2.83Å; R46-D173 IonicContact NH1-OD2 3.59Å; R46-D173 PolarHBondContact NH1-OD2 3.38Å; R46-D173 IonicContact NH2-OD1 3.33Å; R46-D173 PolarHBondContact NH2-OD1 3.27Å; R46-D173 IonicContact NH2-OD2 2.93Å; R46-D173 PolarHBondContact NH2-OD2 3.13Å; G171-D173 PolarHBondContact O-N 2.87Å; D173-A177 WeakPolarHBondContact O-CB 3.23Å; D173-A177 PolarHBondContact O-N 3.47Å
174	G	95.1	Very high	95	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-46.3	177	0	0	0	0	0	112.2	A170 G171 A176 A177 L178	A170-G174 WeakPolarHBondContact O-CA 3.36Å; A170-G174 PolarHBondContact O-N 3.49Å; G171-G174 PolarHBondContact O-N 3.02Å; G174-A176 PolarHBondContact O-N 3.01Å; G174-A177 PolarHBondContact O-N 3.13Å; G174-L178 VanDerWaalsContact O-CB 3.3Å; G174-L178 WeakPolarHBondContact O-CB 3.34Å; G174-L178 PolarHBondContact O-N 3.12Å
175	A	97.2	Very high	95.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-39.6	179.1	0	0	0	0	0	111.8	F133 L153 V155 A170 G171 L178 T179 V184	F133-A175 HydrophobicContact CE2-CB 3.93Å; F133-A175 HydrophobicContact CZ-CB 4.22Å; L153-A175 HydrophobicContact CD2-CB 4.07Å; V155-A175 HydrophobicContact CG1-CB 3.94Å; V155-A175 HydrophobicContact CG2-CB 4.41Å; A170-A175 HydrophobicContact CB-CB 4.17Å; G171-A175 VanDerWaalsContact O-CB 3.23Å; G171-A175 WeakPolarHBondContact O-CB 3.43Å; G171-A175 PolarHBondContact O-N 3.2Å; A175-L178 PolarHBondContact O-N 2.87Å; A175-T179 WeakPolarHBondContact O-CB 3.48Å; A175-T179 WeakPolarHBondContact O-CG2 3.47Å; A175-T179 PolarHBondContact O-N 3.3Å; A175-T179 PolarHBondContact O-OG1 3.27Å; A175-V184 HydrophobicContact CB-CG1 4.15Å
176	A	96.3	Very high	95.4	Very high	9 Å²	9	32.4 Å²	32.4	7%	0.074	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-44.7	175.8	0	0	0	0	0	112	R172 G174 G180 I181 V184	R172-A176 VanDerWaalsContact O-CB 3.27Å; R172-A176 WeakPolarHBondContact O-CB 3.49Å; R172-A176 PolarHBondContact O-N 3.39Å; G174-A176 PolarHBondContact O-N 3.01Å; A176-G180 WeakPolarHBondContact O-CA 3.48Å; A176-G180 PolarHBondContact O-N 3.48Å; A176-G180 VanDerWaalsContact O-N 3.13Å; A176-I181 VanDerWaalsContact CA-O 3.31Å; A176-I181 WeakPolarHBondContact CA-O 3.47Å; A176-I181 WeakPolarHBondContact CB-O 3.39Å; A176-V184 HydrophobicContact CB-CG2 3.66Å
177	A	94.9	Very high	95.7	Very high	6 Å²	6	29.6 Å²	29.6	5%	0.05	15%	0.154	C	C	.	.	H	α-helix	trans	-69.2	-37	179.9	0	0	0	0	0	112.6	K41 V43 Q71 D173 G174	K41-A177 HydrophobicContact CB-CB 4.18Å; V43-A177 HydrophobicContact CG2-CB 4.22Å; Q71-A177 PolarHBondContact NE2-O 3.02Å; D173-A177 WeakPolarHBondContact O-CB 3.23Å; D173-A177 PolarHBondContact O-N 3.47Å; G174-A177 PolarHBondContact O-N 3.13Å
178	L	96.5	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-74.8	-49.5	-179.3	-178	62.9	0	0	0	112.4	L48 Q50 V65 Q71 G174 A175	L48-L178 HydrophobicContact CD1-CB 4.3Å; L48-L178 HydrophobicContact CD1-CD2 4.05Å; Q50-L178 VanDerWaalsContact CD-CD2 3.46Å; Q50-L178 HydrophobicContact CG-CD2 3.6Å; V65-L178 HydrophobicContact CG1-CG 4.14Å; V65-L178 WeakPolarHBondContact CG2-O 3.28Å; Q71-L178 WeakPolarHBondContact CG-O 3.47Å; Q71-L178 PolarHBondContact NE2-O 2.78Å; G174-L178 VanDerWaalsContact O-CB 3.3Å; G174-L178 WeakPolarHBondContact O-CB 3.34Å; G174-L178 PolarHBondContact O-N 3.12Å; A175-L178 PolarHBondContact O-N 2.87Å
179	T	97.4	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-85.5	-16.4	-172.8	64.8	0	0	0	0	113.9	V65 F133 L153 A175 I181	V65-T179 HydrophobicContact CG1-CG2 4.25Å; F133-T179 HydrophobicContact CB-CG2 4.21Å; F133-T179 HydrophobicContact CD2-CG2 4.06Å; F133-T179 HydrophobicContact CG-CG2 4.48Å; L153-T179 HydrophobicContact CD2-CG2 4.12Å; A175-T179 WeakPolarHBondContact O-CB 3.48Å; A175-T179 WeakPolarHBondContact O-CG2 3.47Å; A175-T179 PolarHBondContact O-N 3.3Å; A175-T179 PolarHBondContact O-OG1 3.27Å; T179-I181 PolarHBondContact O-N 2.78Å; T179-I181 PolarHBondContact OG1-N 2.94Å
180	G	96.1	Very high	96.1	Very high	26 Å²	26	31.6 Å²	31.6	27%	0.268	16%	0.155	S	C	.	.			trans	75	-0.5	-171.2	0	0	0	0	0	114.1	A176 E182	A176-G180 WeakPolarHBondContact O-CA 3.48Å; A176-G180 PolarHBondContact O-N 3.48Å; A176-G180 VanDerWaalsContact O-N 3.13Å; G180-E182 PolarHBondContact O-N 3.01Å
181	I	97.1	Very high	96.1	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.16	C	C	.	.			trans	-75.9	116	175.3	-61.6	172.4	0	0	0	108.7	L140 A151 L153 A176 T179 R183 V184	L140-I181 HydrophobicContact CD1-CD1 3.99Å; A151-I181 HydrophobicContact CB-CG1 4.49Å; A151-I181 HydrophobicContact CB-CG2 4.16Å; L153-I181 HydrophobicContact CB-CB 4.47Å; L153-I181 HydrophobicContact CB-CD1 4.08Å; L153-I181 HydrophobicContact CB-CG2 4.07Å; L153-I181 HydrophobicContact CD1-CD1 4.49Å; L153-I181 HydrophobicContact CD2-CD1 4.46Å; A176-I181 VanDerWaalsContact CA-O 3.31Å; A176-I181 WeakPolarHBondContact CA-O 3.47Å; A176-I181 WeakPolarHBondContact CB-O 3.39Å; T179-I181 PolarHBondContact O-N 2.78Å; T179-I181 PolarHBondContact OG1-N 2.94Å; I181-R183 PolarHBondContact O-N 3.29Å; I181-V184 WeakPolarHBondContact O-CG2 3.39Å
182	E	90.6	Very high	96.1	Very high	130 Å²	130	37.6 Å²	37.6	61%	0.607	19%	0.188	S	C	*	.	S	Bend	trans	-69.5	-34.9	-173.2	-65.2	-169.6	158.1	0	0	113.9	G180	G180-E182 PolarHBondContact O-N 3.01Å
183	R	96.7	Very high	96	Very high	83 Å²	83	34.2 Å²	34.2	31%	0.313	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.1	-175.8	-71.7	-175.4	-70	169.4	-16.9	110.5	Y143 I152 L153 I181	Y143-R183 PolarHBondContact OH-NH1 2.8Å; Y143-R183 PolarHBondContact OH-NH2 3.31Å; I152-R183 WeakPolarHBondContact CA-O 3.48Å; I152-R183 HydrophobicContact CG1-CB 4.24Å; I152-R183 HydrophobicContact CG2-CB 4.43Å; L153-R183 PolarHBondContact N-O 3.13Å; I181-R183 PolarHBondContact O-N 3.29Å
184	V	98	Very high	95.9	Very high	16 Å²	16	30.6 Å²	30.6	10%	0.097	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.2	178.3	-169.7	0	0	0	0	110.1	L153 V155 R172 A175 A176 I181	L153-V184 HydrophobicContact CB-CG1 4.39Å; L153-V184 HydrophobicContact CB-CG2 4.22Å; L153-V184 CarbonylContact O-C 3.51Å; L153-V184 WeakPolarHBondContact O-CA 3.47Å; V155-V184 HydrophobicContact CG1-CG1 4.16Å; V155-V184 HydrophobicContact CG2-CG1 3.77Å; R172-V184 HydrophobicContact CB-CB 4.26Å; R172-V184 HydrophobicContact CB-CG1 4.16Å; R172-V184 HydrophobicContact CG-CG1 4.31Å; A175-V184 HydrophobicContact CB-CG1 4.15Å; A176-V184 HydrophobicContact CB-CG2 3.66Å; I181-V184 WeakPolarHBondContact O-CG2 3.39Å
185	H	98	Very high	95.6	Very high	59 Å²	59	36.3 Å²	36.3	27%	0.273	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	167.7	179.5	-74.9	-70.6	0	0	0	110.4	L153 F154 V155 E189	L153-H185 PolarHBondContact O-N 3.11Å; F154-H185 WeakPolarHBondContact CA-O 3.14Å; F154-H185 HydrophobicContact CD1-CB 3.6Å; F154-H185 HydrophobicContact CE1-CB 3.57Å; F154-H185 HydrophobicContact CG-CB 4.46Å; F154-H185 HydrophobicContact CZ-CB 4.4Å; V155-H185 PolarHBondContact N-O 3.48Å; H185-E189 WeakPolarHBondContact CA-OE2 3.44Å; H185-E189 HydrophobicContact CB-CB 4.4Å; H185-E189 WeakPolarHBondContact CB-OE2 3.39Å; H185-E189 IonicContact CG-OE2 3.2Å; H185-E189 IonicContact ND1-OE2 3.6Å; H185-E189 PolarHBondContact ND1-OE2 3.05Å
186	S	97.6	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	148.6	171.5	69.3	0	0	0	0	111	V155 R157 R172 E188 E189	V155-S186 CarbonylContact O-C 3.58Å; V155-S186 WeakPolarHBondContact O-CA 3.29Å; R157-S186 PolarHBondContact NE-OG 2.66Å; R172-S186 VanDerWaalsContact NH2-CB 3.33Å; R172-S186 PolarHBondContact NH2-OG 2.85Å; S186-E188 WeakPolarHBondContact CB-OE2 3.22Å; S186-E188 PolarHBondContact O-N 2.86Å; S186-E188 VanDerWaalsContact O-N 3.08Å; S186-E188 PolarHBondContact OG-OE2 2.92Å; S186-E189 PolarHBondContact N-OE2 3.27Å; S186-E189 WeakPolarHBondContact O-CB 3.47Å; S186-E189 PolarHBondContact O-N 3.06Å
187	T	97.3	Very high	94.3	Very high	8 Å²	8	42 Å²	42	5%	0.049	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-54	-32.4	-176.8	-58	0	0	0	0	113.4	D137 V155 E189 L190 L214	D137-T187 WeakPolarHBondContact O-CG2 3.28Å; D137-T187 PolarHBondContact O-OG1 2.91Å; V155-T187 PolarHBondContact O-N 3.1Å; V155-T187 PolarHBondContact O-OG1 2.57Å; T187-E189 PolarHBondContact O-N 2.84Å; T187-L190 WeakPolarHBondContact O-CB 3.16Å; T187-L190 PolarHBondContact O-N 2.83Å; T187-L214 HydrophobicContact CG2-CD1 4.01Å; T187-L214 HydrophobicContact CG2-CD2 3.4Å; T187-L214 VanDerWaalsContact CG2-CD2 3.4Å; T187-L214 HydrophobicContact CG2-CG 4.37Å
188	E	95.4	Very high	93.1	Very high	95 Å²	95	49 Å²	49	44%	0.444	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-65	-22.5	178.2	-47.2	78.8	-163.2	0	0	113	R157 S186 L190	R157-E188 IonicContact CZ-OE2 2.7Å; R157-E188 IonicContact NE-OE2 3.83Å; R157-E188 PolarHBondContact NE-OE2 2.74Å; R157-E188 IonicContact NH2-OE2 3.45Å; S186-E188 WeakPolarHBondContact CB-OE2 3.22Å; S186-E188 PolarHBondContact O-N 2.86Å; S186-E188 VanDerWaalsContact O-N 3.08Å; S186-E188 PolarHBondContact OG-OE2 2.92Å; E188-L190 VanDerWaalsContact C-N 3.32Å
189	E	97.1	Very high	91.8	Very high	49 Å²	49	52.8 Å²	52.8	23%	0.229	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-81.8	-10.4	178.2	-61.4	170.6	145.6	0	0	112.5	F154 R172 H185 S186 T187 G191 L192 V193	F154-E189 HydrophobicContact CE1-CB 4.46Å; R172-E189 IonicContact CZ-OE1 3.91Å; R172-E189 IonicContact CZ-OE2 3.05Å; R172-E189 IonicContact NH1-OE1 3.94Å; R172-E189 IonicContact NH1-OE2 2.74Å; R172-E189 IonicContact NH2-OE1 3.9Å; R172-E189 PolarHBondContact NH2-OE1 3.4Å; R172-E189 IonicContact NH2-OE2 3.51Å; R172-E189 PolarHBondContact NH2-OE2 3.24Å; H185-E189 WeakPolarHBondContact CA-OE2 3.44Å; H185-E189 HydrophobicContact CB-CB 4.4Å; H185-E189 WeakPolarHBondContact CB-OE2 3.39Å; H185-E189 IonicContact CG-OE2 3.2Å; H185-E189 IonicContact ND1-OE2 3.6Å; H185-E189 PolarHBondContact ND1-OE2 3.05Å; S186-E189 PolarHBondContact N-OE2 3.27Å; S186-E189 WeakPolarHBondContact O-CB 3.47Å; S186-E189 PolarHBondContact O-N 3.06Å; T187-E189 PolarHBondContact O-N 2.84Å; E189-G191 PolarHBondContact O-N 3.25Å; E189-L192 WeakPolarHBondContact O-CB 3.37Å; E189-L192 PolarHBondContact O-N 2.89Å; E189-V193 PolarHBondContact O-N 3.07Å
190	L	97.3	Very high	91.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-54.8	-49.1	-176	177.3	60	0	0	0	112.1	L106 A139 V141 F154 T187 E188 L192 V193 L194 H218	L106-L190 HydrophobicContact CD2-CD2 4.41Å; A139-L190 HydrophobicContact CB-CD1 4.23Å; A139-L190 HydrophobicContact CB-CD2 3.74Å; V141-L190 HydrophobicContact CG2-CD1 3.75Å; F154-L190 HydrophobicContact CD1-CB 3.92Å; F154-L190 HydrophobicContact CD1-CD1 4.27Å; F154-L190 HydrophobicContact CD2-CD1 3.76Å; F154-L190 HydrophobicContact CE1-CB 4.19Å; F154-L190 HydrophobicContact CE1-CD1 4.26Å; F154-L190 HydrophobicContact CE2-CD1 3.75Å; F154-L190 HydrophobicContact CG-CB 4.26Å; F154-L190 HydrophobicContact CG-CD1 4.04Å; F154-L190 HydrophobicContact CZ-CD1 4Å; T187-L190 WeakPolarHBondContact O-CB 3.16Å; T187-L190 PolarHBondContact O-N 2.83Å; E188-L190 VanDerWaalsContact C-N 3.32Å; L190-L192 VanDerWaalsContact C-N 3.28Å; L190-L192 PolarHBondContact O-N 3.04Å; L190-V193 PolarHBondContact O-N 2.82Å; L190-L194 HydrophobicContact CD1-CD1 3.99Å; L190-L194 HydrophobicContact CD1-CD2 4.5Å; L190-L194 HydrophobicContact CD1-CG 4.03Å; L190-L194 HydrophobicContact CG-CD1 4.02Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.26Å; L190-L194 PolarHBondContact O-N 3.2Å; L190-H218 HydrophobicContact CB-CB 4.2Å; L190-H218 HydrophobicContact CD2-CB 3.71Å; L190-H218 HydrophobicContact CG-CB 3.83Å
191	G	95.3	Very high	90.8	Very high	10 Å²	10	54.2 Å²	54.2	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-32.7	179.9	0	0	0	0	0	113.4	E189 K195 H218	E189-G191 PolarHBondContact O-N 3.25Å; G191-K195 WeakPolarHBondContact O-CB 3.45Å; G191-K195 WeakPolarHBondContact O-CG 3.42Å; G191-K195 PolarHBondContact O-N 2.75Å; G191-K195 VanDerWaalsContact O-N 3.08Å; G191-H218 PolarHBondContact N-ND1 2.95Å
192	L	94.3	Very high	90.6	Very high	120 Å²	120	54.7 Å²	54.7	63%	0.628	29%	0.291	S	S	*	.	H	α-helix	trans	-70.2	-43.6	176.6	-66.2	173.9	0	0	0	111	E189 L190 K195 S196	E189-L192 WeakPolarHBondContact O-CB 3.37Å; E189-L192 PolarHBondContact O-N 2.89Å; L190-L192 VanDerWaalsContact C-N 3.28Å; L190-L192 PolarHBondContact O-N 3.04Å; L192-K195 PolarHBondContact O-N 2.94Å; L192-S196 PolarHBondContact O-N 2.78Å
193	V	93.3	Very high	90.9	Very high	24 Å²	24	48.6 Å²	48.6	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-46.6	177.2	175.9	0	0	0	0	110.5	I152 F154 E189 L190 K195 S196 L197	I152-V193 HydrophobicContact CD1-CG1 4.18Å; F154-V193 HydrophobicContact CE1-CB 4.18Å; F154-V193 HydrophobicContact CE1-CG2 3.84Å; F154-V193 HydrophobicContact CZ-CB 3.75Å; F154-V193 HydrophobicContact CZ-CG1 3.92Å; F154-V193 HydrophobicContact CZ-CG2 3.74Å; E189-V193 PolarHBondContact O-N 3.07Å; L190-V193 PolarHBondContact O-N 2.82Å; V193-K195 VanDerWaalsContact C-N 3.29Å; V193-K195 PolarHBondContact O-N 3.22Å; V193-S196 WeakPolarHBondContact O-CB 3.48Å; V193-S196 PolarHBondContact O-N 2.99Å; V193-S196 PolarHBondContact O-OG 2.63Å; V193-L197 HydrophobicContact CG1-CD1 3.97Å; V193-L197 WeakPolarHBondContact O-CG 3.47Å; V193-L197 PolarHBondContact O-N 3.47Å
194	L	92.4	Very high	90.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-38.8	177.4	-66.1	177.9	0	0	0	112.1	V102 V104 V141 L190 S196 L197 H218 V219	V102-L194 HydrophobicContact CG1-CD2 4.29Å; V104-L194 HydrophobicContact CG2-CD2 3.8Å; V141-L194 HydrophobicContact CG2-CD2 4.32Å; L190-L194 HydrophobicContact CD1-CD1 3.99Å; L190-L194 HydrophobicContact CD1-CD2 4.5Å; L190-L194 HydrophobicContact CD1-CG 4.03Å; L190-L194 HydrophobicContact CG-CD1 4.02Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.26Å; L190-L194 PolarHBondContact O-N 3.2Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.93Å; L194-L197 PolarHBondContact O-N 3.02Å; L194-H218 WeakPolarHBondContact CD1-O 3.47Å; L194-V219 HydrophobicContact CD1-CG2 4.23Å
195	K	89.1	Confident	90.6	Very high	119 Å²	119	46.3 Å²	46.3	52%	0.517	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-30.6	173.3	-76.5	172.2	-175.8	179.4	0	113.4	G191 L192 V193 L197 K198	G191-K195 WeakPolarHBondContact O-CB 3.45Å; G191-K195 WeakPolarHBondContact O-CG 3.42Å; G191-K195 PolarHBondContact O-N 2.75Å; G191-K195 VanDerWaalsContact O-N 3.08Å; L192-K195 PolarHBondContact O-N 2.94Å; V193-K195 VanDerWaalsContact C-N 3.29Å; V193-K195 PolarHBondContact O-N 3.22Å; K195-L197 VanDerWaalsContact C-N 3.25Å; K195-K198 VanDerWaalsContact O-CD 3.3Å; K195-K198 WeakPolarHBondContact O-CD 3.33Å; K195-K198 WeakPolarHBondContact O-CG 3.46Å
196	S	87.4	Confident	90.3	Very high	91 Å²	91	46 Å²	46	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-73.6	-19.3	176.3	76.4	0	0	0	0	113	L192 V193 L194	L192-S196 PolarHBondContact O-N 2.78Å; V193-S196 WeakPolarHBondContact O-CB 3.48Å; V193-S196 PolarHBondContact O-N 2.99Å; V193-S196 PolarHBondContact O-OG 2.63Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.93Å
197	L	79.1	Confident	89.8	Confident	37 Å²	37	51.1 Å²	51.1	19%	0.194	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	22.6	-178.3	-60.2	169.1	0	0	0	112.7	V102 V141 Y143 V193 L194 K195 T200	V102-L197 HydrophobicContact CG2-CB 3.93Å; V102-L197 HydrophobicContact CG2-CD1 3.71Å; V102-L197 HydrophobicContact CG2-CG 4.28Å; V141-L197 HydrophobicContact CG1-CD1 4.41Å; Y143-L197 HydrophobicContact CD2-CD2 4.15Å; V193-L197 HydrophobicContact CG1-CD1 3.97Å; V193-L197 WeakPolarHBondContact O-CG 3.47Å; V193-L197 PolarHBondContact O-N 3.47Å; L194-L197 PolarHBondContact O-N 3.02Å; K195-L197 VanDerWaalsContact C-N 3.25Å; L197-T200 WeakPolarHBondContact O-CB 3.37Å; L197-T200 PolarHBondContact O-OG1 3.2Å
198	K	70.1	Confident	89.4	Confident	153 Å²	153	58.4 Å²	58.4	67%	0.665	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	151.1	178.3	-81.1	170.9	-176.1	-168.8	0	112.8	K195 T200	K195-K198 VanDerWaalsContact O-CD 3.3Å; K195-K198 WeakPolarHBondContact O-CD 3.33Å; K195-K198 WeakPolarHBondContact O-CG 3.46Å; K198-T200 VanDerWaalsContact C-N 3.32Å
199	G	69.1	Low	89.3	Confident	81 Å²	81	55.4 Å²	55.4	84%	0.835	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	15.8	-179.3	0	0	0	0	0	114.3
200	T	82.3	Confident	89.2	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.098	32%	0.319	C	S	.	.	S	Bend	trans	-107.1	144.6	-176.9	-61.7	0	0	0	0	110	N100 H101 V102 L197 K198 L202	N100-T200 HydrophobicContact CB-CG2 3.83Å; N100-T200 VanDerWaalsContact CB-OG1 3.31Å; N100-T200 WeakPolarHBondContact CB-OG1 3.49Å; N100-T200 WeakPolarHBondContact O-CA 3.41Å; N100-T200 WeakPolarHBondContact O-CG2 3.4Å; H101-T200 VanDerWaalsContact CA-CG2 3.4Å; V102-T200 HydrophobicContact CB-CG2 3.75Å; V102-T200 HydrophobicContact CG2-CG2 3.43Å; V102-T200 VanDerWaalsContact CG2-CG2 3.43Å; L197-T200 WeakPolarHBondContact O-CB 3.37Å; L197-T200 PolarHBondContact O-OG1 3.2Å; K198-T200 VanDerWaalsContact C-N 3.32Å; T200-L202 PolarHBondContact O-N 3.16Å
201	Q	90.4	Very high	89.3	Confident	40 Å²	40	54.6 Å²	54.6	19%	0.187	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	115.6	167.6	175	67	78.6	0	0	109.8	N100 H101 V102 A228 R230	N100-Q201 PolarHBondContact O-N 2.95Å; H101-Q201 WeakPolarHBondContact CA-O 3.36Å; V102-Q201 PolarHBondContact N-O 2.94Å; Q201-A228 PolarHBondContact NE2-O 3.5Å; Q201-R230 VanDerWaalsContact OE1-NE 3.12Å
202	L	92.9	Very high	89.3	Confident	13 Å²	13	57.4 Å²	57.4	7%	0.068	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.6	176	-177.6	60.4	0	0	0	111.1	V102 V104 T200 T222 L223 P229 R230	V102-L202 HydrophobicContact CB-CD1 4.39Å; V102-L202 HydrophobicContact CG1-CD1 3.94Å; V102-L202 CarbonylContact O-C 3.57Å; V102-L202 WeakPolarHBondContact O-CA 3.48Å; V104-L202 HydrophobicContact CG2-CD1 3.82Å; T200-L202 PolarHBondContact O-N 3.16Å; L202-T222 HydrophobicContact CD2-CG2 4.37Å; L202-L223 HydrophobicContact CD2-CD2 3.47Å; L202-L223 VanDerWaalsContact CD2-CD2 3.47Å; L202-L223 HydrophobicContact CD2-CG 4.04Å; L202-P229 HydrophobicContact CG-CB 4.45Å; L202-P229 WeakPolarHBondContact O-CA 3.45Å; L202-R230 PolarHBondContact O-N 2.83Å
203	W	95.6	Very high	89.5	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.008	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.1	170.2	-58.7	80.1	0	0	0	108.6	I85 H88 T89 H101 V102 A103 V104 R230 L232 L235	I85-W203 HydrophobicContact CB-CZ2 4.48Å; I85-W203 HydrophobicContact CD1-CD2 4.37Å; I85-W203 HydrophobicContact CD1-CG 4.34Å; I85-W203 HydrophobicContact CG1-CD2 4.19Å; I85-W203 HydrophobicContact CG1-CE3 4.33Å; I85-W203 HydrophobicContact CG2-CD2 4.28Å; I85-W203 HydrophobicContact CG2-CH2 4.42Å; I85-W203 HydrophobicContact CG2-CZ2 3.67Å; H88-W203 HydrophobicContact CB-CH2 4.15Å; H88-W203 AromaticContact CD2-CH2 3.73Å; T89-W203 HydrophobicContact CG2-CH2 4.27Å; T89-W203 HydrophobicContact CG2-CZ2 3.55Å; H101-W203 AromaticContact CG-NE1 4Å; H101-W203 AromaticContact ND1-NE1 3.43Å; H101-W203 PolarHBondContact ND1-NE1 2.74Å; V102-W203 PolarHBondContact O-N 2.6Å; A103-W203 WeakPolarHBondContact CA-O 3.46Å; A103-W203 HydrophobicContact CB-CB 4.07Å; V104-W203 PolarHBondContact N-O 3.38Å; W203-R230 CarbonylContact C-O 3.55Å; W203-R230 WeakPolarHBondContact CA-O 3.42Å; W203-R230 HydrophobicContact CD2-CB 3.81Å; W203-R230 HydrophobicContact CE3-CB 3.45Å; W203-R230 VanDerWaalsContact CE3-CB 3.45Å; W203-R230 HydrophobicContact CG-CB 4.48Å; W203-R230 HydrophobicContact CH2-CB 4.16Å; W203-R230 HydrophobicContact CZ2-CB 4.45Å; W203-R230 HydrophobicContact CZ3-CB 3.65Å; W203-R230 HydrophobicContact CZ3-CG 4.46Å; W203-L232 HydrophobicContact CB-CD1 4.19Å; W203-L232 HydrophobicContact CB-CD2 3.45Å; W203-L232 VanDerWaalsContact CB-CD2 3.45Å; W203-L232 HydrophobicContact CB-CG 3.61Å; W203-L232 HydrophobicContact CE3-CD2 4.37Å; W203-L232 HydrophobicContact CG-CD2 4.2Å; W203-L232 WeakPolarHBondContact O-CD1 3.26Å; W203-L235 HydrophobicContact CE3-CD1 4.21Å; W203-L235 HydrophobicContact CZ3-CD1 3.83Å
204	Y	96.1	Very high	89.7	Confident	10 Å²	10	56.8 Å²	56.8	4%	0.039	32%	0.324	C	S	.	.			trans	-167.2	140.8	-173.9	179.8	-107.5	0	0	0	110.6	V104 L106 P209 H215 V219 L223 R230	V104-Y204 HydrophobicContact CB-CD2 3.93Å; V104-Y204 HydrophobicContact CG1-CD2 4.18Å; V104-Y204 HydrophobicContact CG1-CE2 4.41Å; V104-Y204 WeakPolarHBondContact O-CD2 3.48Å; L106-Y204 HydrophobicContact CD1-CE2 4.04Å; L106-Y204 WeakPolarHBondContact CD1-OH 3.46Å; L106-Y204 HydrophobicContact CG-CE2 4.11Å; Y204-P209 WeakPolarHBondContact OH-CB 3.31Å; Y204-H215 AromaticContact CE1-CE1 3.76Å; Y204-H215 AromaticContact CE1-ND1 3.36Å; Y204-H215 WeakPolarHBondContact CE1-ND1 3.22Å; Y204-H215 AromaticContact CZ-ND1 3.55Å; Y204-H215 PolarHBondContact OH-ND1 3.19Å; Y204-V219 HydrophobicContact CD1-CG1 3.84Å; Y204-V219 HydrophobicContact CD2-CG1 4.25Å; Y204-V219 HydrophobicContact CE1-CG1 3.78Å; Y204-V219 HydrophobicContact CE2-CG1 4.2Å; Y204-V219 HydrophobicContact CG-CG1 4.08Å; Y204-L223 HydrophobicContact CD1-CD1 4.02Å; Y204-L223 HydrophobicContact CE1-CD1 4.16Å; Y204-R230 PolarHBondContact N-O 3.34Å
205	D	92.8	Very high	89.9	Confident	41 Å²	41	57.5 Å²	57.5	22%	0.219	33%	0.327	C	S	.	.			trans	-94.4	96.8	176.6	-66.6	-69.1	0	0	0	110.5	S231 L232 R233	D205-S231 WeakPolarHBondContact OD1-CA 3.45Å; D205-S231 VanDerWaalsContact OD1-CB 3.25Å; D205-S231 WeakPolarHBondContact OD1-CB 3.46Å; D205-S231 PolarHBondContact OD1-OG 3Å; D205-L232 WeakPolarHBondContact OD2-CB 3.41Å; D205-L232 PolarHBondContact OD2-N 3.5Å; D205-L232 VanDerWaalsContact OD2-N 3.09Å; D205-R233 WeakPolarHBondContact OD2-CB 3.42Å; D205-R233 PolarHBondContact OD2-N 3.24Å
206	S	90.7	Very high	90.3	Very high	52 Å²	52	57.8 Å²	57.8	36%	0.364	33%	0.33	S	S	.	.			trans	-90.4	-18.6	-172.2	57.7	0	0	0	0	115.7	Q208	S206-Q208 PolarHBondContact O-N 2.91Å
207	S	87.6	Confident	90.8	Very high	108 Å²	108	57.3 Å²	57.3	76%	0.755	32%	0.324	S	S	*	.	S	Bend	trans	-67.8	-35	-174.1	55.9	0	0	0	0	113.1
208	Q	88.2	Confident	91.6	Very high	161 Å²	161	56.8 Å²	56.8	75%	0.752	32%	0.32	S	S	*	.	S	Bend	trans	-138.4	79.6	176.9	-65.3	-174	17.4	0	0	108.8	S206 A210	S206-Q208 PolarHBondContact O-N 2.91Å; Q208-A210 PolarHBondContact O-N 2.97Å
209	P	94.2	Very high	92.7	Very high	33 Å²	33	49.5 Å²	49.5	21%	0.214	29%	0.289	C	S	.	.			trans	-65.7	130.1	-175.1	27.6	-34.3	0	0	0	110.3	Y204 H211 H215	Y204-P209 WeakPolarHBondContact OH-CB 3.31Å; P209-H211 PolarHBondContact O-N 3.04Å; P209-H215 HydrophobicContact CB-CB 3.66Å; P209-H215 HydrophobicContact CG-CB 4.2Å
210	A	95.6	Very high	94	Very high	29 Å²	29	48.3 Å²	48.3	24%	0.24	26%	0.263	C	S	.	.	S	Bend	trans	-56.3	-26	176.7	0	0	0	0	0	113	H108 P109 N124 Q208	H108-A210 PolarHBondContact CD2-O 3.13Å; P109-A210 WeakPolarHBondContact CD-O 3.4Å; N124-A210 HydrophobicContact CB-CB 4.28Å; N124-A210 WeakPolarHBondContact ND2-CB 3.3Å; Q208-A210 PolarHBondContact O-N 2.97Å
211	H	98.1	Very high	94.5	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.014	28%	0.275	C	S	.	.			trans	-139.7	98.5	178.5	-166.9	-29.9	0	0	0	112	L106 S107 D137 P209 R213 L214 H215	L106-H211 HydrophobicContact CB-CB 4.11Å; L106-H211 HydrophobicContact CD1-CB 4.21Å; S107-H211 WeakPolarHBondContact O-CB 3.49Å; D137-H211 IonicContact OD1-CD2 3.51Å; D137-H211 IonicContact OD1-CE1 3.85Å; D137-H211 IonicContact OD1-NE2 3.61Å; D137-H211 PolarHBondContact OD1-NE2 2.97Å; P209-H211 PolarHBondContact O-N 3.04Å; H211-R213 PolarHBondContact ND1-N 3.13Å; H211-R213 PolarHBondContact O-N 3.08Å; H211-L214 HydrophobicContact CB-CB 4.31Å; H211-L214 VanDerWaalsContact CD2-CD1 3.48Å; H211-L214 WeakPolarHBondContact CD2-CD1 3.42Å; H211-L214 PolarHBondContact ND1-N 3.37Å; H211-L214 PolarHBondContact O-N 3.21Å; H211-H215 VanDerWaalsContact O-CB 3.23Å; H211-H215 WeakPolarHBondContact O-CB 3.42Å; H211-H215 PolarHBondContact O-N 3.23Å
212	S	97.1	Very high	94.5	Very high	68 Å²	68	49.7 Å²	49.7	48%	0.476	28%	0.275	S	S	.	.	H	α-helix	trans	-58.2	-45.1	-174.5	-44.9	0	0	0	0	113.5	H215 Q216	S212-H215 WeakPolarHBondContact O-CB 3.39Å; S212-H215 PolarHBondContact O-N 3.16Å; S212-Q216 WeakPolarHBondContact O-CB 3.35Å; S212-Q216 VanDerWaalsContact O-CG 3.28Å; S212-Q216 WeakPolarHBondContact O-CG 3.21Å; S212-Q216 PolarHBondContact O-N 3.17Å
213	R	97.3	Very high	94.3	Very high	126 Å²	126	50.3 Å²	50.3	48%	0.475	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-52	179.3	-175.4	-176.2	65.4	-168.3	-4.2	113.2	D137 H211 H215 Q216 T217	D137-R213 IonicContact OD1-NH2 3.61Å; D137-R213 PolarHBondContact OD1-NH2 2.94Å; D137-R213 IonicContact OD2-CZ 3.75Å; D137-R213 IonicContact OD2-NH2 2.76Å; D137-R213 PolarHBondContact OD2-NH2 2.89Å; H211-R213 PolarHBondContact ND1-N 3.13Å; H211-R213 PolarHBondContact O-N 3.08Å; R213-H215 VanDerWaalsContact C-N 3.3Å; R213-H215 PolarHBondContact O-N 3.15Å; R213-Q216 PolarHBondContact O-N 3.04Å; R213-T217 WeakPolarHBondContact O-CB 3.32Å; R213-T217 PolarHBondContact O-N 3.5Å; R213-T217 PolarHBondContact O-OG1 2.92Å
214	L	97.7	Very high	94.1	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-37.8	178.3	-66.5	-174	0	0	0	111.7	L106 T187 H211 H218	L106-L214 HydrophobicContact CD1-CB 4.27Å; L106-L214 HydrophobicContact CD2-CB 4.42Å; T187-L214 HydrophobicContact CG2-CD1 4.01Å; T187-L214 HydrophobicContact CG2-CD2 3.4Å; T187-L214 VanDerWaalsContact CG2-CD2 3.4Å; T187-L214 HydrophobicContact CG2-CG 4.37Å; H211-L214 HydrophobicContact CB-CB 4.31Å; H211-L214 VanDerWaalsContact CD2-CD1 3.48Å; H211-L214 WeakPolarHBondContact CD2-CD1 3.42Å; H211-L214 PolarHBondContact ND1-N 3.37Å; H211-L214 PolarHBondContact O-N 3.21Å; L214-H218 WeakPolarHBondContact O-CB 3.4Å; L214-H218 PolarHBondContact O-N 3.48Å
215	H	97.4	Very high	93.6	Very high	19 Å²	19	60.8 Å²	60.8	9%	0.088	34%	0.342	C	S	.	.	I	π-helix	trans	-56.4	-55.9	172.9	170.9	66.8	0	0	0	111.3	L106 Y204 P209 H211 S212 R213 T217 V219 L220	L106-H215 HydrophobicContact CD1-CB 4.11Å; Y204-H215 AromaticContact CE1-CE1 3.76Å; Y204-H215 AromaticContact CE1-ND1 3.36Å; Y204-H215 WeakPolarHBondContact CE1-ND1 3.22Å; Y204-H215 AromaticContact CZ-ND1 3.55Å; Y204-H215 PolarHBondContact OH-ND1 3.19Å; P209-H215 HydrophobicContact CB-CB 3.66Å; P209-H215 HydrophobicContact CG-CB 4.2Å; H211-H215 VanDerWaalsContact O-CB 3.23Å; H211-H215 WeakPolarHBondContact O-CB 3.42Å; H211-H215 PolarHBondContact O-N 3.23Å; S212-H215 WeakPolarHBondContact O-CB 3.39Å; S212-H215 PolarHBondContact O-N 3.16Å; R213-H215 VanDerWaalsContact C-N 3.3Å; R213-H215 PolarHBondContact O-N 3.15Å; H215-T217 PolarHBondContact O-N 3.49Å; H215-V219 PolarHBondContact O-N 2.95Å; H215-L220 WeakPolarHBondContact O-CB 3.15Å; H215-L220 PolarHBondContact O-N 3.44Å
216	Q	97.1	Very high	93	Very high	124 Å²	124	60.6 Å²	60.6	58%	0.579	35%	0.35	S	S	*	.	I	π-helix	trans	-62.1	-42.7	-178.7	-72.6	170.8	5.8	0	0	112.4	S212 R213	S212-Q216 WeakPolarHBondContact O-CB 3.35Å; S212-Q216 VanDerWaalsContact O-CG 3.28Å; S212-Q216 WeakPolarHBondContact O-CG 3.21Å; S212-Q216 PolarHBondContact O-N 3.17Å; R213-Q216 PolarHBondContact O-N 3.04Å
217	T	96.9	Very high	92.6	Very high	82 Å²	82	61.6 Å²	61.6	50%	0.503	36%	0.355	S	S	.	.	I	π-helix	trans	-78.1	-37.6	-173	-57.2	0	0	0	0	112.6	R213 H215	R213-T217 WeakPolarHBondContact O-CB 3.32Å; R213-T217 PolarHBondContact O-N 3.5Å; R213-T217 PolarHBondContact O-OG1 2.92Å; H215-T217 PolarHBondContact O-N 3.49Å
218	H	95.9	Very high	92.6	Very high	25 Å²	25	60.3 Å²	60.3	12%	0.116	35%	0.351	C	S	.	.	I	π-helix	trans	-118.6	-34.7	-168.4	-58.8	-62.1	0	0	0	114.7	L190 G191 L194 L214	L190-H218 HydrophobicContact CB-CB 4.2Å; L190-H218 HydrophobicContact CD2-CB 3.71Å; L190-H218 HydrophobicContact CG-CB 3.83Å; G191-H218 PolarHBondContact N-ND1 2.95Å; L194-H218 WeakPolarHBondContact CD1-O 3.47Å; L214-H218 WeakPolarHBondContact O-CB 3.4Å; L214-H218 PolarHBondContact O-N 3.48Å
219	V	94.8	Very high	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.328	C	S	.	.	I	π-helix	trans	-94.8	-43.8	-172.3	-173.1	0	0	0	0	111.8	V104 L106 L194 Y204 H215 T222 L223	V104-V219 HydrophobicContact CG1-CG2 4.22Å; L106-V219 HydrophobicContact CD1-CG2 4.29Å; L106-V219 HydrophobicContact CD2-CG2 4.28Å; L194-V219 HydrophobicContact CD1-CG2 4.23Å; Y204-V219 HydrophobicContact CD1-CG1 3.84Å; Y204-V219 HydrophobicContact CD2-CG1 4.25Å; Y204-V219 HydrophobicContact CE1-CG1 3.78Å; Y204-V219 HydrophobicContact CE2-CG1 4.2Å; Y204-V219 HydrophobicContact CG-CG1 4.08Å; H215-V219 PolarHBondContact O-N 2.95Å; V219-T222 WeakPolarHBondContact O-CB 3.27Å; V219-T222 PolarHBondContact O-N 3.46Å; V219-L223 HydrophobicContact CG1-CD1 4.07Å; V219-L223 HydrophobicContact CG1-CG 4.3Å; V219-L223 PolarHBondContact O-N 3.2Å; V219-L223 VanDerWaalsContact O-N 3.11Å
220	L	94.5	Very high	92.8	Very high	57 Å²	57	56.9 Å²	56.9	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-54.5	-43.9	-178.4	-177.2	64.4	0	0	0	113.2	H215 T222 L223 E224	H215-L220 WeakPolarHBondContact O-CB 3.15Å; H215-L220 PolarHBondContact O-N 3.44Å; L220-T222 PolarHBondContact O-N 2.66Å; L220-T222 VanDerWaalsContact O-N 3.16Å; L220-L223 WeakPolarHBondContact O-CB 3.4Å; L220-L223 PolarHBondContact O-N 3.1Å; L220-E224 HydrophobicContact CD1-CG 4.19Å; L220-E224 HydrophobicContact CG-CG 4.37Å; L220-E224 WeakPolarHBondContact O-CG 3.31Å; L220-E224 PolarHBondContact O-N 3.29Å
221	P	92.8	Very high	92.7	Very high	53 Å²	53	58.1 Å²	58.1	34%	0.344	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-28.5	177.1	-25	35.8	0	0	0	114	A225	P221-A225 WeakPolarHBondContact O-CB 3.31Å; P221-A225 PolarHBondContact O-N 2.86Å
222	T	90.5	Very high	92.5	Very high	31 Å²	31	58 Å²	58	19%	0.19	34%	0.339	C	S	.	.	H	α-helix	trans	-78.3	-34.7	176	-59.5	0	0	0	0	111.3	L202 V219 L220 G226	L202-T222 HydrophobicContact CD2-CG2 4.37Å; V219-T222 WeakPolarHBondContact O-CB 3.27Å; V219-T222 PolarHBondContact O-N 3.46Å; L220-T222 PolarHBondContact O-N 2.66Å; L220-T222 VanDerWaalsContact O-N 3.16Å; T222-G226 PolarHBondContact O-N 2.97Å
223	L	90.2	Very high	92.4	Very high	26 Å²	26	59 Å²	59	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-44.7	175	-71.2	168.6	0	0	0	111.7	L202 Y204 V219 L220 A225 G226 P229	L202-L223 HydrophobicContact CD2-CD2 3.47Å; L202-L223 VanDerWaalsContact CD2-CD2 3.47Å; L202-L223 HydrophobicContact CD2-CG 4.04Å; Y204-L223 HydrophobicContact CD1-CD1 4.02Å; Y204-L223 HydrophobicContact CE1-CD1 4.16Å; V219-L223 HydrophobicContact CG1-CD1 4.07Å; V219-L223 HydrophobicContact CG1-CG 4.3Å; V219-L223 PolarHBondContact O-N 3.2Å; V219-L223 VanDerWaalsContact O-N 3.11Å; L220-L223 WeakPolarHBondContact O-CB 3.4Å; L220-L223 PolarHBondContact O-N 3.1Å; L223-A225 VanDerWaalsContact C-N 3.26Å; L223-A225 PolarHBondContact O-N 2.9Å; L223-G226 PolarHBondContact O-N 2.78Å; L223-P229 HydrophobicContact CD2-CB 3.66Å; L223-P229 HydrophobicContact CD2-CG 3.52Å
224	E	89.8	Confident	92.3	Very high	148 Å²	148	56.2 Å²	56.2	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-67.3	-27.2	-179.9	-68.6	174.7	160.6	0	0	113	L220	L220-E224 HydrophobicContact CD1-CG 4.19Å; L220-E224 HydrophobicContact CG-CG 4.37Å; L220-E224 WeakPolarHBondContact O-CG 3.31Å; L220-E224 PolarHBondContact O-N 3.29Å
225	A	85.8	Confident	92.3	Very high	84 Å²	84	56.9 Å²	56.9	69%	0.694	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.1	-179.7	0	0	0	0	0	114.2	P221 L223	P221-A225 WeakPolarHBondContact O-CB 3.31Å; P221-A225 PolarHBondContact O-N 2.86Å; L223-A225 VanDerWaalsContact C-N 3.26Å; L223-A225 PolarHBondContact O-N 2.9Å
226	G	80.3	Confident	92.3	Very high	37 Å²	37	56.1 Å²	56.1	38%	0.381	33%	0.33	S	S	.	.	S	Bend	trans	-122.4	178.1	-168.4	0	0	0	0	0	114.1	T222 L223	T222-G226 PolarHBondContact O-N 2.97Å; L223-G226 PolarHBondContact O-N 2.78Å
227	P	82.7	Confident	92.3	Very high	74 Å²	74	50.5 Å²	50.5	48%	0.481	30%	0.303	S	S	.	.	S	Bend	trans	-64	160.2	169.4	30.3	-35	0	0	0	110.7
228	A	87.9	Confident	92.4	Very high	80 Å²	80	47.6 Å²	47.6	66%	0.661	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-53.6	134.8	174.8	0	0	0	0	0	111.2	Q201	Q201-A228 PolarHBondContact NE2-O 3.5Å
229	P	92	Very high	92.5	Very high	41 Å²	41	47.5 Å²	47.5	27%	0.266	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-69.9	154.3	-179.1	32.8	-38.5	0	0	0	111	L202 L223	L202-P229 HydrophobicContact CG-CB 4.45Å; L202-P229 WeakPolarHBondContact O-CA 3.45Å; L223-P229 HydrophobicContact CD2-CB 3.66Å; L223-P229 HydrophobicContact CD2-CG 3.52Å
230	R	93.5	Very high	92.7	Very high	82 Å²	82	47.7 Å²	47.7	31%	0.309	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-98.5	144.3	168.2	-68	177.8	-178	-80.2	-6	110	L92 Q201 L202 W203 Y204	L92-R230 VanDerWaalsContact CD1-NH1 3.28Å; Q201-R230 VanDerWaalsContact OE1-NE 3.12Å; L202-R230 PolarHBondContact O-N 2.83Å; W203-R230 CarbonylContact C-O 3.55Å; W203-R230 WeakPolarHBondContact CA-O 3.42Å; W203-R230 HydrophobicContact CD2-CB 3.81Å; W203-R230 HydrophobicContact CE3-CB 3.45Å; W203-R230 VanDerWaalsContact CE3-CB 3.45Å; W203-R230 HydrophobicContact CG-CB 4.48Å; W203-R230 HydrophobicContact CH2-CB 4.16Å; W203-R230 HydrophobicContact CZ2-CB 4.45Å; W203-R230 HydrophobicContact CZ3-CB 3.65Å; W203-R230 HydrophobicContact CZ3-CG 4.46Å; Y204-R230 PolarHBondContact N-O 3.34Å
231	S	93.8	Very high	92.8	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-70.1	134.5	179.2	177.8	0	0	0	0	111.3	D205 P234	D205-S231 WeakPolarHBondContact OD1-CA 3.45Å; D205-S231 VanDerWaalsContact OD1-CB 3.25Å; D205-S231 WeakPolarHBondContact OD1-CB 3.46Å; D205-S231 PolarHBondContact OD1-OG 3Å; S231-P234 WeakPolarHBondContact OG-CD 3.25Å
232	L	94.3	Very high	93.1	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-88.9	-33.6	172.6	-78.6	172	0	0	0	111.5	L81 I85 A103 V104 V105 W203 D205 L235 I236	L81-L232 HydrophobicContact CD1-CD2 4.48Å; I85-L232 HydrophobicContact CD1-CD2 3.79Å; I85-L232 HydrophobicContact CG1-CD2 4.48Å; A103-L232 HydrophobicContact CB-CD1 3.82Å; A103-L232 HydrophobicContact CB-CD2 3.81Å; A103-L232 HydrophobicContact CB-CG 4.39Å; V104-L232 WeakPolarHBondContact O-CD1 3.2Å; V105-L232 HydrophobicContact CG2-CD1 3.86Å; W203-L232 HydrophobicContact CB-CD1 4.19Å; W203-L232 HydrophobicContact CB-CD2 3.45Å; W203-L232 VanDerWaalsContact CB-CD2 3.45Å; W203-L232 HydrophobicContact CB-CG 3.61Å; W203-L232 HydrophobicContact CE3-CD2 4.37Å; W203-L232 HydrophobicContact CG-CD2 4.2Å; W203-L232 WeakPolarHBondContact O-CD1 3.26Å; D205-L232 WeakPolarHBondContact OD2-CB 3.41Å; D205-L232 PolarHBondContact OD2-N 3.5Å; D205-L232 VanDerWaalsContact OD2-N 3.09Å; L232-L235 WeakPolarHBondContact O-CA 3.24Å; L232-L235 WeakPolarHBondContact O-CB 3.28Å; L232-L235 PolarHBondContact O-N 3.17Å; L232-I236 HydrophobicContact CB-CD1 3.96Å; L232-I236 HydrophobicContact CB-CG1 4.42Å; L232-I236 PolarHBondContact O-N 2.84Å
233	R	94.9	Very high	93.5	Very high	89 Å²	89	44.6 Å²	44.6	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-47	-49.9	-172.3	-179.6	175.6	169.7	139.8	2.3	114.3	D205 L235 I236 H237 D432	D205-R233 WeakPolarHBondContact OD2-CB 3.42Å; D205-R233 PolarHBondContact OD2-N 3.24Å; R233-L235 VanDerWaalsContact C-N 3.27Å; R233-L235 PolarHBondContact O-N 3.11Å; R233-I236 PolarHBondContact O-N 2.84Å; R233-H237 WeakPolarHBondContact CG-CE1 3.1Å; R233-H237 PolarHBondContact NE-CE1 3.49Å; R233-H237 VanDerWaalsContact NE-CE1 3.3Å; R233-H237 WeakPolarHBondContact O-CB 3.44Å; R233-H237 PolarHBondContact O-CD2 2.85Å; R233-H237 PolarHBondContact O-N 2.95Å; R233-D432 IonicContact CZ-OD2 2.98Å; R233-D432 IonicContact NE-OD1 3.26Å; R233-D432 IonicContact NE-OD2 3.79Å; R233-D432 PolarHBondContact NE-OD2 2.52Å; R233-D432 IonicContact NH2-OD1 3.71Å; R233-D432 IonicContact NH2-OD2 2.77Å
234	P	95.4	Very high	93.9	Very high	66 Å²	66	44.5 Å²	44.5	43%	0.429	27%	0.268	S	S	.	.	H	α-helix	trans	-59.3	-34.6	176.6	-25.5	34.1	0	0	0	114.1	S231 S238	S231-P234 WeakPolarHBondContact OG-CD 3.25Å; P234-S238 WeakPolarHBondContact O-CB 3.2Å; P234-S238 PolarHBondContact O-N 3.21Å
235	L	96.9	Very high	94.3	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-73.9	-46.8	179.6	-55.2	-176.3	0	0	0	110.5	L81 L84 I85 W203 L232 R233 S238 L239	L81-L235 HydrophobicContact CD1-CB 3.8Å; L84-L235 HydrophobicContact CB-CB 4.43Å; L84-L235 HydrophobicContact CB-CD1 4.45Å; L84-L235 HydrophobicContact CB-CD2 4.38Å; L84-L235 HydrophobicContact CD1-CB 4.3Å; I85-L235 HydrophobicContact CG1-CD1 3.61Å; W203-L235 HydrophobicContact CE3-CD1 4.21Å; W203-L235 HydrophobicContact CZ3-CD1 3.83Å; L232-L235 WeakPolarHBondContact O-CA 3.24Å; L232-L235 WeakPolarHBondContact O-CB 3.28Å; L232-L235 PolarHBondContact O-N 3.17Å; R233-L235 VanDerWaalsContact C-N 3.27Å; R233-L235 PolarHBondContact O-N 3.11Å; L235-S238 PolarHBondContact O-N 3.32Å; L235-S238 PolarHBondContact O-OG 3.18Å; L235-L239 PolarHBondContact O-N 3.04Å
236	I	98.1	Very high	94.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-44.3	177.2	-59.8	174.4	0	0	0	110.4	L81 V105 D126 Y129 L130 L232 R233 S238 L239 R240	L81-I236 HydrophobicContact CD1-CG1 3.86Å; L81-I236 HydrophobicContact CD2-CD1 4.29Å; L81-I236 HydrophobicContact CD2-CG1 3.94Å; V105-I236 HydrophobicContact CG2-CD1 4.23Å; D126-I236 HydrophobicContact CB-CD1 4.07Å; D126-I236 HydrophobicContact CB-CG2 4.03Å; D126-I236 VanDerWaalsContact OD1-CG2 3.24Å; D126-I236 WeakPolarHBondContact OD1-CG2 3.47Å; Y129-I236 HydrophobicContact CD1-CG2 4.24Å; L130-I236 HydrophobicContact CD1-CD1 3.96Å; L130-I236 HydrophobicContact CD1-CG1 4.47Å; L232-I236 HydrophobicContact CB-CD1 3.96Å; L232-I236 HydrophobicContact CB-CG1 4.42Å; L232-I236 PolarHBondContact O-N 2.84Å; R233-I236 PolarHBondContact O-N 2.84Å; I236-S238 VanDerWaalsContact C-N 3.3Å; I236-S238 PolarHBondContact O-N 2.92Å; I236-L239 WeakPolarHBondContact O-CA 3.3Å; I236-L239 WeakPolarHBondContact O-CB 3.42Å; I236-L239 PolarHBondContact O-N 3.12Å; I236-R240 HydrophobicContact CG2-CG 4.33Å; I236-R240 PolarHBondContact O-N 3.39Å
237	H	97.9	Very high	95.8	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-37.2	177.6	-72.3	-171.9	0	0	0	112	D126 R233 L239 R240 A241 T430 D432	D126-H237 IonicContact OD1-CD2 3.32Å; D126-H237 IonicContact OD1-NE2 3.8Å; D126-H237 IonicContact OD2-NE2 2.94Å; R233-H237 WeakPolarHBondContact CG-CE1 3.1Å; R233-H237 PolarHBondContact NE-CE1 3.49Å; R233-H237 VanDerWaalsContact NE-CE1 3.3Å; R233-H237 WeakPolarHBondContact O-CB 3.44Å; R233-H237 PolarHBondContact O-CD2 2.85Å; R233-H237 PolarHBondContact O-N 2.95Å; H237-L239 PolarHBondContact O-N 3.02Å; H237-R240 PolarHBondContact O-N 2.89Å; H237-A241 WeakPolarHBondContact O-CB 3.22Å; H237-A241 PolarHBondContact O-N 2.96Å; H237-T430 HydrophobicContact CB-CG2 3.84Å; H237-T430 VanDerWaalsContact O-CG2 3.28Å; H237-T430 WeakPolarHBondContact O-CG2 3.16Å; H237-D432 IonicContact CE1-OD2 3.74Å; H237-D432 PolarHBondContact CE1-OD2 3.48Å; H237-D432 IonicContact ND1-OD2 3.31Å; H237-D432 PolarHBondContact ND1-OD2 2.89Å
238	S	97.5	Very high	96.6	Very high	21 Å²	21	35.6 Å²	35.6	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-28.6	173.6	78	0	0	0	0	113.7	L84 P234 L235 I236	L84-S238 WeakPolarHBondContact CD1-OG 3.23Å; P234-S238 WeakPolarHBondContact O-CB 3.2Å; P234-S238 PolarHBondContact O-N 3.21Å; L235-S238 PolarHBondContact O-N 3.32Å; L235-S238 PolarHBondContact O-OG 3.18Å; I236-S238 VanDerWaalsContact C-N 3.3Å; I236-S238 PolarHBondContact O-N 2.92Å
239	L	98.4	Very high	97.1	Very high	23 Å²	23	35 Å²	35	12%	0.12	20%	0.201	C	C	.	.	H	α-helix	trans	-77	-48.6	174.3	-62	176.3	0	0	0	111	K80 L81 L84 Y129 L235 I236 H237 A241 I242	K80-L239 HydrophobicContact CB-CD1 4.19Å; K80-L239 HydrophobicContact CB-CD2 3.79Å; K80-L239 HydrophobicContact CD-CD2 4.31Å; L81-L239 HydrophobicContact CB-CD1 3.87Å; L81-L239 HydrophobicContact CD1-CD1 4.47Å; L84-L239 HydrophobicContact CD1-CD1 4.15Å; L84-L239 HydrophobicContact CD1-CD2 3.54Å; L84-L239 HydrophobicContact CD1-CG 3.66Å; L84-L239 HydrophobicContact CG-CD2 4.4Å; Y129-L239 HydrophobicContact CE1-CB 3.91Å; Y129-L239 HydrophobicContact CE1-CD1 4.46Å; Y129-L239 PolarHBondContact OH-O 3.42Å; L235-L239 PolarHBondContact O-N 3.04Å; I236-L239 WeakPolarHBondContact O-CA 3.3Å; I236-L239 WeakPolarHBondContact O-CB 3.42Å; I236-L239 PolarHBondContact O-N 3.12Å; H237-L239 PolarHBondContact O-N 3.02Å; L239-A241 PolarHBondContact O-N 3.14Å; L239-I242 PolarHBondContact O-N 3.37Å
240	R	98.7	Very high	97.4	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-27.1	177.5	-73.3	172.9	56.6	-178.6	2.3	112.9	D126 Y129 I236 H237 I242 K243 D426 D429 T430	D126-R240 WeakPolarHBondContact OD1-CD 3.38Å; D126-R240 IonicContact OD1-CZ 3.36Å; D126-R240 IonicContact OD1-NE 2.96Å; D126-R240 IonicContact OD1-NH1 2.76Å; D126-R240 PolarHBondContact OD1-NH1 3.44Å; Y129-R240 HydrophobicContact CD1-CG 3.93Å; Y129-R240 HydrophobicContact CD2-CG 3.73Å; Y129-R240 HydrophobicContact CE1-CG 4.08Å; Y129-R240 HydrophobicContact CE2-CG 3.87Å; Y129-R240 HydrophobicContact CG-CG 3.76Å; I236-R240 HydrophobicContact CG2-CG 4.33Å; I236-R240 PolarHBondContact O-N 3.39Å; H237-R240 PolarHBondContact O-N 2.89Å; R240-I242 PolarHBondContact O-N 3.17Å; R240-K243 WeakPolarHBondContact O-CD 3.02Å; R240-K243 WeakPolarHBondContact O-CE 3.46Å; R240-K243 PolarHBondContact O-NZ 3.26Å; R240-D426 IonicContact CZ-OD2 3.01Å; R240-D426 IonicContact NH1-OD2 3.62Å; R240-D426 IonicContact NH2-OD2 3.63Å; R240-D426 PolarHBondContact NH2-OD2 3.35Å; R240-D429 IonicContact CZ-OD1 2.75Å; R240-D429 IonicContact NE-OD1 3.92Å; R240-D429 IonicContact NH2-OD1 3.98Å; R240-D429 PolarHBondContact NH2-OD1 2.85Å; R240-T430 HydrophobicContact CB-CG2 3.74Å
241	A	98.2	Very high	97.7	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.017	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.1	177.4	0	0	0	0	0	113.2	H237 L239 L433 M443	H237-A241 WeakPolarHBondContact O-CB 3.22Å; H237-A241 PolarHBondContact O-N 2.96Å; L239-A241 PolarHBondContact O-N 3.14Å; A241-L433 HydrophobicContact CB-CD1 3.4Å; A241-L433 VanDerWaalsContact CB-CD1 3.4Å; A241-M443 HydrophobicContact CB-CE 4.47Å; A241-M443 WeakPolarHBondContact O-CA 3.38Å
242	I	98.6	Very high	97.9	Very high	61 Å²	61	30.9 Å²	30.9	31%	0.313	18%	0.176	S	C	.	.	S	Bend	trans	-109.7	103.1	-174.2	-50.6	-58	0	0	0	109.3	L239 R240 Q440 M443	L239-I242 PolarHBondContact O-N 3.37Å; R240-I242 PolarHBondContact O-N 3.17Å; I242-Q440 HydrophobicContact CD1-CB 4Å; I242-M443 HydrophobicContact CD1-CE 3.74Å; I242-M443 HydrophobicContact CD1-CG 3.49Å; I242-M443 VanDerWaalsContact CD1-CG 3.49Å; I242-M443 HydrophobicContact CD1-SD 4.43Å
243	K	98.8	Very high	98.1	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.052	19%	0.188	C	C	.	.			trans	-74.4	135	-176	-77.9	58.4	176.1	172.9	0	110.8	R240 E247 V248 M251 L423 D429 G442 V444	R240-K243 WeakPolarHBondContact O-CD 3.02Å; R240-K243 WeakPolarHBondContact O-CE 3.46Å; R240-K243 PolarHBondContact O-NZ 3.26Å; K243-E247 HydrophobicContact CB-CB 3.88Å; K243-E247 HydrophobicContact CG-CB 4Å; K243-V248 HydrophobicContact CB-CG2 3.81Å; K243-M251 HydrophobicContact CG-SD 3.91Å; K243-L423 WeakPolarHBondContact CE-O 3.21Å; K243-L423 PolarHBondContact NZ-O 2.93Å; K243-D429 IonicContact NZ-OD2 3.63Å; K243-D429 PolarHBondContact NZ-OD2 2.87Å; K243-G442 WeakPolarHBondContact CB-O 3.27Å; K243-G442 PolarHBondContact N-O 3.29Å; K243-V444 HydrophobicContact CB-CG2 4.34Å; K243-V444 HydrophobicContact CD-CG2 3.91Å; K243-V444 HydrophobicContact CG-CG2 3.9Å
244	S	98.8	Very high	98.3	Very high	24 Å²	24	29.1 Å²	29.1	17%	0.168	17%	0.172	C	C	.	.			trans	-67.6	163.5	167	99.4	0	0	0	0	111	E73 A246 E247 V248	E73-S244 VanDerWaalsContact OE1-CB 3.3Å; E73-S244 WeakPolarHBondContact OE1-CB 3.04Å; E73-S244 PolarHBondContact OE1-OG 3.22Å; S244-A246 PolarHBondContact O-N 3.29Å; S244-A246 PolarHBondContact OG-N 2.82Å; S244-A246 VanDerWaalsContact OG-N 3.12Å; S244-E247 WeakPolarHBondContact CB-OE2 3.44Å; S244-E247 PolarHBondContact N-OE2 3.21Å; S244-E247 WeakPolarHBondContact O-CB 3.01Å; S244-E247 PolarHBondContact O-N 3.13Å; S244-E247 VanDerWaalsContact O-N 3.15Å; S244-E247 WeakPolarHBondContact OG-CG 3.31Å; S244-E247 PolarHBondContact OG-N 3.32Å; S244-V248 WeakPolarHBondContact O-CG2 3.49Å; S244-V248 PolarHBondContact O-N 2.68Å
245	P	98.5	Very high	98.5	Very high	110 Å²	110	26 Å²	26	71%	0.714	15%	0.151	S	C	*	.	H	α-helix	trans	-56.4	-33.1	173	-25.9	35.6	0	0	0	113.9	S249	P245-S249 PolarHBondContact O-N 3.03Å; P245-S249 PolarHBondContact O-OG 2.83Å
246	A	98.6	Very high	98.6	Very high	24 Å²	24	29.7 Å²	29.7	20%	0.198	16%	0.164	C	C	.	.	H	α-helix	trans	-71.3	-41.2	177.3	0	0	0	0	0	111.2	L69 S244 S249 L250	L69-A246 HydrophobicContact CD2-CB 3.72Å; S244-A246 PolarHBondContact O-N 3.29Å; S244-A246 PolarHBondContact OG-N 2.82Å; S244-A246 VanDerWaalsContact OG-N 3.12Å; A246-S249 WeakPolarHBondContact O-CB 3.47Å; A246-S249 PolarHBondContact O-N 3.17Å; A246-L250 PolarHBondContact O-N 3.44Å; A246-L250 VanDerWaalsContact O-N 3.11Å
247	E	98.9	Very high	98.6	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-45.3	174.2	-56.2	-176.6	88.1	0	0	111.3	L69 R77 K243 S244 S249 L250 M251 Y335	L69-E247 HydrophobicContact CD2-CG 4.35Å; R77-E247 IonicContact NH2-OE1 3.92Å; R77-E247 IonicContact NH2-OE2 3.27Å; K243-E247 HydrophobicContact CB-CB 3.88Å; K243-E247 HydrophobicContact CG-CB 4Å; S244-E247 WeakPolarHBondContact CB-OE2 3.44Å; S244-E247 PolarHBondContact N-OE2 3.21Å; S244-E247 WeakPolarHBondContact O-CB 3.01Å; S244-E247 PolarHBondContact O-N 3.13Å; S244-E247 VanDerWaalsContact O-N 3.15Å; S244-E247 WeakPolarHBondContact OG-CG 3.31Å; S244-E247 PolarHBondContact OG-N 3.32Å; E247-S249 VanDerWaalsContact C-N 3.25Å; E247-S249 PolarHBondContact O-N 3.33Å; E247-L250 PolarHBondContact O-N 2.99Å; E247-L250 VanDerWaalsContact O-N 3.17Å; E247-M251 WeakPolarHBondContact O-CG 3.41Å; E247-M251 PolarHBondContact O-N 3.47Å; E247-Y335 HydrophobicContact CB-CD1 4.49Å; E247-Y335 HydrophobicContact CB-CE1 3.69Å; E247-Y335 VanDerWaalsContact CD-OH 3.24Å; E247-Y335 HydrophobicContact CG-CE1 3.95Å; E247-Y335 WeakPolarHBondContact CG-OH 3.03Å; E247-Y335 WeakPolarHBondContact OE1-CE1 3.42Å; E247-Y335 PolarHBondContact OE1-OH 3.05Å
248	V	98.9	Very high	98.7	Very high	19 Å²	19	29.3 Å²	29.3	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-38.2	174.5	171.2	0	0	0	0	111.3	K243 S244 L250 M251 Q252 V476 L484	K243-V248 HydrophobicContact CB-CG2 3.81Å; S244-V248 WeakPolarHBondContact O-CG2 3.49Å; S244-V248 PolarHBondContact O-N 2.68Å; V248-L250 VanDerWaalsContact C-N 3.35Å; V248-L250 PolarHBondContact O-N 3.21Å; V248-M251 PolarHBondContact O-N 3.35Å; V248-Q252 HydrophobicContact CG1-CG 4.3Å; V248-Q252 WeakPolarHBondContact O-CB 3.26Å; V248-Q252 VanDerWaalsContact O-CG 3.31Å; V248-Q252 WeakPolarHBondContact O-CG 3.41Å; V248-Q252 PolarHBondContact O-N 3.18Å; V248-V476 HydrophobicContact CG1-CG2 4.15Å; V248-V476 HydrophobicContact CG2-CG1 4.05Å; V248-V476 HydrophobicContact CG2-CG2 4.47Å; V248-L484 HydrophobicContact CG1-CD2 4.09Å
249	S	98.7	Very high	98.7	Very high	66 Å²	66	28.4 Å²	28.4	46%	0.462	16%	0.156	S	C	.	.	H	α-helix	trans	-65.2	-38.2	178.2	-57.5	0	0	0	0	112.1	P245 A246 E247 Q252 E253	P245-S249 PolarHBondContact O-N 3.03Å; P245-S249 PolarHBondContact O-OG 2.83Å; A246-S249 WeakPolarHBondContact O-CB 3.47Å; A246-S249 PolarHBondContact O-N 3.17Å; E247-S249 VanDerWaalsContact C-N 3.25Å; E247-S249 PolarHBondContact O-N 3.33Å; S249-Q252 PolarHBondContact O-N 3.12Å; S249-E253 PolarHBondContact O-N 3.16Å; S249-E253 VanDerWaalsContact O-N 3.17Å
250	L	98.8	Very high	98.8	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.063	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-43.5	174.2	-68.5	170.8	0	0	0	111.5	L69 A246 E247 V248 Q252 E253 A254 Y332 F333 Y335	L69-L250 HydrophobicContact CD1-CD1 4.21Å; L69-L250 HydrophobicContact CD2-CD1 4.38Å; L69-L250 HydrophobicContact CG-CD1 4.03Å; A246-L250 PolarHBondContact O-N 3.44Å; A246-L250 VanDerWaalsContact O-N 3.11Å; E247-L250 PolarHBondContact O-N 2.99Å; E247-L250 VanDerWaalsContact O-N 3.17Å; V248-L250 VanDerWaalsContact C-N 3.35Å; V248-L250 PolarHBondContact O-N 3.21Å; L250-Q252 PolarHBondContact O-N 3.1Å; L250-E253 PolarHBondContact O-N 2.65Å; L250-A254 PolarHBondContact O-N 3.01Å; L250-Y332 HydrophobicContact CD2-CD1 4.11Å; L250-Y332 HydrophobicContact CD2-CE1 4Å; L250-F333 HydrophobicContact CD2-CB 4.31Å; L250-F333 HydrophobicContact CD2-CD2 4.35Å; L250-Y335 HydrophobicContact CB-CD2 3.85Å; L250-Y335 HydrophobicContact CB-CG 4.12Å; L250-Y335 HydrophobicContact CD1-CD2 3.51Å; L250-Y335 HydrophobicContact CD1-CE2 3.56Å; L250-Y335 HydrophobicContact CG-CD2 4.32Å
251	M	98.9	Very high	98.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-34	176.7	-64.6	-174	79.2	0	0	112.9	K243 E247 V248 E253 A254 G255 Y335 L423 V444 L486	K243-M251 HydrophobicContact CG-SD 3.91Å; E247-M251 WeakPolarHBondContact O-CG 3.41Å; E247-M251 PolarHBondContact O-N 3.47Å; V248-M251 PolarHBondContact O-N 3.35Å; M251-E253 VanDerWaalsContact C-N 3.3Å; M251-E253 PolarHBondContact O-N 2.78Å; M251-A254 PolarHBondContact O-N 2.89Å; M251-G255 PolarHBondContact O-N 3.12Å; M251-Y335 HydrophobicContact CG-CD1 3.73Å; M251-Y335 HydrophobicContact CG-CG 4.08Å; M251-Y335 HydrophobicContact SD-CD1 4.12Å; M251-L423 HydrophobicContact CE-CB 4.16Å; M251-L423 HydrophobicContact CE-CD2 3.84Å; M251-L423 HydrophobicContact CE-CG 3.75Å; M251-V444 HydrophobicContact CE-CB 3.96Å; M251-V444 HydrophobicContact CE-CG1 3.55Å; M251-V444 HydrophobicContact CE-CG2 4.26Å; M251-V444 HydrophobicContact SD-CB 4.17Å; M251-V444 HydrophobicContact SD-CG1 4.2Å; M251-V444 HydrophobicContact SD-CG2 3.82Å; M251-L486 HydrophobicContact CB-CD1 3.76Å; M251-L486 HydrophobicContact CE-CD1 4.49Å
252	Q	98.9	Very high	98.8	Very high	79 Å²	79	29.2 Å²	29.2	37%	0.369	16%	0.159	S	C	.	.	H	α-helix	trans	-60.6	-41.7	171.1	-80.6	-178.6	-47.6	0	0	111.6	V248 S249 L250 G255 R256 L484 L486	V248-Q252 HydrophobicContact CG1-CG 4.3Å; V248-Q252 WeakPolarHBondContact O-CB 3.26Å; V248-Q252 VanDerWaalsContact O-CG 3.31Å; V248-Q252 WeakPolarHBondContact O-CG 3.41Å; V248-Q252 PolarHBondContact O-N 3.18Å; S249-Q252 PolarHBondContact O-N 3.12Å; L250-Q252 PolarHBondContact O-N 3.1Å; Q252-G255 PolarHBondContact O-N 3.2Å; Q252-R256 WeakPolarHBondContact O-CB 3.32Å; Q252-R256 PolarHBondContact O-N 3.27Å; Q252-L484 HydrophobicContact CG-CD2 4.26Å; Q252-L484 VanDerWaalsContact NE2-CD2 3.34Å; Q252-L486 HydrophobicContact CB-CD2 4.19Å; Q252-L486 HydrophobicContact CG-CD2 3.29Å
253	E	98.8	Very high	98.8	Very high	53 Å²	53	30.4 Å²	30.4	25%	0.248	16%	0.159	C	C	.	.	H	α-helix	trans	-70.3	-40.8	178.5	-172.6	59.4	-172.5	0	0	111.8	S249 L250 M251 G255 R256 I257 Y332	S249-E253 PolarHBondContact O-N 3.16Å; S249-E253 VanDerWaalsContact O-N 3.17Å; L250-E253 PolarHBondContact O-N 2.65Å; M251-E253 VanDerWaalsContact C-N 3.3Å; M251-E253 PolarHBondContact O-N 2.78Å; E253-G255 PolarHBondContact O-N 3.08Å; E253-R256 VanDerWaalsContact CD-NE 3.31Å; E253-R256 WeakPolarHBondContact O-CB 3.49Å; E253-R256 PolarHBondContact O-N 3.06Å; E253-R256 IonicContact OE1-CZ 2.63Å; E253-R256 VanDerWaalsContact OE1-CZ 3.3Å; E253-R256 IonicContact OE1-NE 3.3Å; E253-R256 PolarHBondContact OE1-NE 3.24Å; E253-R256 VanDerWaalsContact OE1-NE 3.14Å; E253-R256 IonicContact OE1-NH2 3.67Å; E253-R256 PolarHBondContact OE1-NH2 3.39Å; E253-R256 IonicContact OE2-CZ 2.72Å; E253-R256 IonicContact OE2-NE 3.79Å; E253-R256 PolarHBondContact OE2-NE 2.84Å; E253-R256 IonicContact OE2-NH2 3.16Å; E253-I257 HydrophobicContact CG-CD1 4.05Å; E253-I257 WeakPolarHBondContact O-CB 3.27Å; E253-I257 VanDerWaalsContact O-CG1 3.29Å; E253-I257 WeakPolarHBondContact O-CG1 3.46Å; E253-I257 PolarHBondContact O-N 2.87Å; E253-Y332 HydrophobicContact CB-CD1 3.87Å; E253-Y332 HydrophobicContact CB-CE1 3.74Å; E253-Y332 HydrophobicContact CG-CD1 3.81Å; E253-Y332 HydrophobicContact CG-CE1 3.38Å; E253-Y332 HydrophobicContact CG-CE2 4.25Å; E253-Y332 HydrophobicContact CG-CG 4.38Å
254	A	98.9	Very high	98.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-50.9	170.9	0	0	0	0	0	111.2	L250 M251 R256 I257 T258	L250-A254 PolarHBondContact O-N 3.01Å; M251-A254 PolarHBondContact O-N 2.89Å; A254-R256 VanDerWaalsContact C-N 3.31Å; A254-R256 PolarHBondContact O-N 3.16Å; A254-I257 PolarHBondContact O-N 3.24Å; A254-T258 WeakPolarHBondContact O-CB 3.32Å; A254-T258 PolarHBondContact O-N 2.87Å; A254-T258 PolarHBondContact O-OG1 3.27Å
255	G	98.9	Very high	98.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-37.1	176.8	0	0	0	0	0	113.4	M251 Q252 E253 A259	M251-G255 PolarHBondContact O-N 3.12Å; Q252-G255 PolarHBondContact O-N 3.2Å; E253-G255 PolarHBondContact O-N 3.08Å; G255-A259 WeakPolarHBondContact O-CB 3.49Å; G255-A259 PolarHBondContact O-N 3.48Å
256	R	98.9	Very high	98.8	Very high	100 Å²	100	29.1 Å²	29.1	38%	0.377	14%	0.136	S	C	.	.	H	α-helix	trans	-66.2	-46.3	176.1	-170.1	-162.7	68.6	69.2	0.8	111.9	Q252 E253 A254 Q260	Q252-R256 WeakPolarHBondContact O-CB 3.32Å; Q252-R256 PolarHBondContact O-N 3.27Å; E253-R256 VanDerWaalsContact CD-NE 3.31Å; E253-R256 WeakPolarHBondContact O-CB 3.49Å; E253-R256 PolarHBondContact O-N 3.06Å; E253-R256 IonicContact OE1-CZ 2.63Å; E253-R256 VanDerWaalsContact OE1-CZ 3.3Å; E253-R256 IonicContact OE1-NE 3.3Å; E253-R256 PolarHBondContact OE1-NE 3.24Å; E253-R256 VanDerWaalsContact OE1-NE 3.14Å; E253-R256 IonicContact OE1-NH2 3.67Å; E253-R256 PolarHBondContact OE1-NH2 3.39Å; E253-R256 IonicContact OE2-CZ 2.72Å; E253-R256 IonicContact OE2-NE 3.79Å; E253-R256 PolarHBondContact OE2-NE 2.84Å; E253-R256 IonicContact OE2-NH2 3.16Å; A254-R256 VanDerWaalsContact C-N 3.31Å; A254-R256 PolarHBondContact O-N 3.16Å; R256-Q260 PolarHBondContact O-N 2.69Å
257	I	98.9	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-52.6	177.9	-72.1	167	0	0	0	109.6	E253 A254 A259 Q260 A261 N286 H289 A291 Y332	E253-I257 HydrophobicContact CG-CD1 4.05Å; E253-I257 WeakPolarHBondContact O-CB 3.27Å; E253-I257 VanDerWaalsContact O-CG1 3.29Å; E253-I257 WeakPolarHBondContact O-CG1 3.46Å; E253-I257 PolarHBondContact O-N 2.87Å; A254-I257 PolarHBondContact O-N 3.24Å; I257-A259 PolarHBondContact O-N 2.9Å; I257-Q260 WeakPolarHBondContact O-CA 3.47Å; I257-Q260 WeakPolarHBondContact O-CB 3.23Å; I257-Q260 PolarHBondContact O-N 2.95Å; I257-A261 PolarHBondContact O-N 3.33Å; I257-N286 HydrophobicContact CG2-CB 4.4Å; I257-H289 HydrophobicContact CB-CB 4.41Å; I257-H289 WeakPolarHBondContact CD1-O 3.34Å; I257-H289 HydrophobicContact CG1-CB 4.12Å; I257-H289 HydrophobicContact CG2-CB 3.87Å; I257-A291 HydrophobicContact CG2-CB 4.21Å; I257-Y332 HydrophobicContact CD1-CD2 3.57Å; I257-Y332 HydrophobicContact CD1-CE2 3.9Å; I257-Y332 HydrophobicContact CD1-CG 4.09Å
258	T	98.9	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-41.6	-178.7	-52.1	0	0	0	0	111.6	A254 Q260 A261 F262 F282 N286 G328 C330 S337 I339	A254-T258 WeakPolarHBondContact O-CB 3.32Å; A254-T258 PolarHBondContact O-N 2.87Å; A254-T258 PolarHBondContact O-OG1 3.27Å; T258-Q260 VanDerWaalsContact C-N 3.26Å; T258-Q260 PolarHBondContact O-N 2.96Å; T258-A261 WeakPolarHBondContact O-CB 3.1Å; T258-A261 PolarHBondContact O-N 2.77Å; T258-A261 VanDerWaalsContact O-N 3.13Å; T258-F262 HydrophobicContact CG2-CD2 4.09Å; T258-F262 HydrophobicContact CG2-CE2 3.98Å; T258-F262 WeakPolarHBondContact O-CD2 3.41Å; T258-F262 PolarHBondContact O-N 3.49Å; T258-F282 HydrophobicContact CG2-CE2 4.22Å; T258-F282 HydrophobicContact CG2-CZ 3.8Å; T258-N286 WeakPolarHBondContact CA-OD1 3.47Å; T258-G328 VanDerWaalsContact CG2-O 3.31Å; T258-G328 WeakPolarHBondContact CG2-O 3.49Å; T258-C330 PolarHBondContact OG1-N 2.9Å; T258-C330 PolarHBondContact OG1-SG 2.97Å; T258-S337 WeakPolarHBondContact CB-OG 3.35Å; T258-S337 PolarHBondContact OG1-OG 3.31Å; T258-I339 HydrophobicContact CG2-CB 4.16Å; T258-I339 HydrophobicContact CG2-CD1 3.65Å; T258-I339 HydrophobicContact CG2-CG1 4.07Å
259	A	98.8	Very high	98.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-35.6	173.6	0	0	0	0	0	113.3	G255 I257 R263 A490	G255-A259 WeakPolarHBondContact O-CB 3.49Å; G255-A259 PolarHBondContact O-N 3.48Å; I257-A259 PolarHBondContact O-N 2.9Å; A259-R263 WeakPolarHBondContact O-CG 3.43Å; A259-R263 PolarHBondContact O-N 3.18Å; A259-A490 HydrophobicContact CB-CB 3.89Å
260	Q	98.6	Very high	98	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.224	15%	0.15	C	C	.	.	H	α-helix	trans	-71.4	-39.3	174.9	-171.9	150.1	-6.2	0	0	111.7	R256 I257 T258 R263 R264 H289	R256-Q260 PolarHBondContact O-N 2.69Å; I257-Q260 WeakPolarHBondContact O-CA 3.47Å; I257-Q260 WeakPolarHBondContact O-CB 3.23Å; I257-Q260 PolarHBondContact O-N 2.95Å; T258-Q260 VanDerWaalsContact C-N 3.26Å; T258-Q260 PolarHBondContact O-N 2.96Å; Q260-R263 PolarHBondContact O-N 2.83Å; Q260-R264 WeakPolarHBondContact O-CG 3.37Å; Q260-R264 PolarHBondContact O-N 3.29Å; Q260-R264 VanDerWaalsContact O-N 3.11Å; Q260-H289 PolarHBondContact NE2-NE2 3.27Å
261	A	98.8	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-46.6	172.9	0	0	0	0	0	111.8	I257 T258 R263 R264 T265 F282 E285 N286	I257-A261 PolarHBondContact O-N 3.33Å; T258-A261 WeakPolarHBondContact O-CB 3.1Å; T258-A261 PolarHBondContact O-N 2.77Å; T258-A261 VanDerWaalsContact O-N 3.13Å; A261-R263 PolarHBondContact O-N 2.93Å; A261-R264 PolarHBondContact O-N 3.15Å; A261-R264 VanDerWaalsContact O-N 3.16Å; A261-T265 WeakPolarHBondContact O-CB 3.44Å; A261-T265 PolarHBondContact O-N 3Å; A261-T265 PolarHBondContact O-OG1 3.4Å; A261-T265 VanDerWaalsContact O-OG1 3.05Å; A261-F282 HydrophobicContact CB-CD2 3.74Å; A261-F282 HydrophobicContact CB-CE2 3.71Å; A261-E285 HydrophobicContact CB-CB 3.66Å; A261-N286 WeakPolarHBondContact CB-ND2 3.34Å
262	F	98.8	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55	-49.3	174.5	-92	-77.6	0	0	0	113.1	T258 R264 T265 M266 F282 L326 I339 R341 W343	T258-F262 HydrophobicContact CG2-CD2 4.09Å; T258-F262 HydrophobicContact CG2-CE2 3.98Å; T258-F262 WeakPolarHBondContact O-CD2 3.41Å; T258-F262 PolarHBondContact O-N 3.49Å; F262-R264 VanDerWaalsContact C-N 3.27Å; F262-R264 PolarHBondContact O-N 2.91Å; F262-T265 PolarHBondContact O-N 2.91Å; F262-M266 HydrophobicContact CD1-CE 4.3Å; F262-M266 WeakPolarHBondContact O-CB 3.27Å; F262-M266 VanDerWaalsContact O-CG 3.28Å; F262-M266 WeakPolarHBondContact O-CG 3.3Å; F262-M266 PolarHBondContact O-N 3.38Å; F262-F282 AromaticContact CD2-CE2 3.69Å; F262-F282 HydrophobicContact CD2-CE2 3.69Å; F262-F282 HydrophobicContact CD2-CZ 4.37Å; F262-F282 AromaticContact CE2-CE2 3.59Å; F262-F282 HydrophobicContact CE2-CE2 3.59Å; F262-F282 AromaticContact CE2-CZ 3.9Å; F262-F282 HydrophobicContact CE2-CZ 3.9Å; F262-F282 HydrophobicContact CG-CE2 4.25Å; F262-F282 HydrophobicContact CZ-CE2 4.14Å; F262-F282 HydrophobicContact CZ-CZ 4.46Å; F262-L326 HydrophobicContact CE1-CB 4.03Å; F262-L326 HydrophobicContact CE1-CD2 3.56Å; F262-L326 HydrophobicContact CE1-CG 4.3Å; F262-L326 WeakPolarHBondContact CE1-O 3.4Å; F262-L326 HydrophobicContact CE2-CD2 4.25Å; F262-L326 HydrophobicContact CZ-CD2 3.39Å; F262-L326 WeakPolarHBondContact CZ-O 3.48Å; F262-I339 HydrophobicContact CD2-CB 4.27Å; F262-I339 HydrophobicContact CD2-CG2 3.87Å; F262-I339 HydrophobicContact CE2-CB 3.64Å; F262-I339 HydrophobicContact CE2-CG2 3.53Å; F262-I339 WeakPolarHBondContact CE2-O 3.48Å; F262-I339 HydrophobicContact CZ-CB 4.35Å; F262-I339 HydrophobicContact CZ-CG2 4.09Å; F262-I339 WeakPolarHBondContact CZ-O 3.36Å; F262-R341 HydrophobicContact CD1-CB 3.69Å; F262-R341 HydrophobicContact CD1-CG 3.64Å; F262-R341 HydrophobicContact CE1-CB 3.54Å; F262-R341 HydrophobicContact CE1-CG 3.75Å; F262-R341 HydrophobicContact CG-CG 4.15Å; F262-R341 HydrophobicContact CZ-CB 4.44Å; F262-R341 HydrophobicContact CZ-CG 4.38Å; F262-W343 HydrophobicContact CD1-CZ3 4.23Å; F262-W343 HydrophobicContact CE1-CZ3 4.12Å
263	R	98.5	Very high	97.5	Very high	85 Å²	85	35.9 Å²	35.9	32%	0.321	17%	0.171	S	C	.	.	H	α-helix	trans	-58.4	-41.3	179	-70.2	-176.5	-164.7	117.4	-18.3	112.2	A259 Q260 A261 A267 G489 P491	A259-R263 WeakPolarHBondContact O-CG 3.43Å; A259-R263 PolarHBondContact O-N 3.18Å; Q260-R263 PolarHBondContact O-N 2.83Å; A261-R263 PolarHBondContact O-N 2.93Å; R263-A267 WeakPolarHBondContact O-CB 3.49Å; R263-A267 PolarHBondContact O-N 2.89Å; R263-A267 VanDerWaalsContact O-N 3.08Å; R263-G489 PolarHBondContact NE-O 3.41Å; R263-G489 VanDerWaalsContact NH2-C 3.28Å; R263-G489 PolarHBondContact NH2-O 3.41Å; R263-P491 HydrophobicContact CG-CG 3.65Å
264	R	98.4	Very high	97.4	Very high	120 Å²	120	36.7 Å²	36.7	45%	0.453	18%	0.177	S	C	.	.	H	α-helix	trans	-75.7	-31.1	-177.6	-66.7	-65	-172.6	-169.8	1.5	112.4	Q260 A261 F262 L268 K281 E285	Q260-R264 WeakPolarHBondContact O-CG 3.37Å; Q260-R264 PolarHBondContact O-N 3.29Å; Q260-R264 VanDerWaalsContact O-N 3.11Å; A261-R264 PolarHBondContact O-N 3.15Å; A261-R264 VanDerWaalsContact O-N 3.16Å; F262-R264 VanDerWaalsContact C-N 3.27Å; F262-R264 PolarHBondContact O-N 2.91Å; R264-L268 PolarHBondContact O-N 2.97Å; R264-K281 WeakPolarHBondContact O-CE 3.38Å; R264-E285 HydrophobicContact CB-CB 4.46Å; R264-E285 VanDerWaalsContact CB-CD 3.41Å; R264-E285 HydrophobicContact CB-CG 3.6Å; R264-E285 HydrophobicContact CG-CG 4.33Å; R264-E285 WeakPolarHBondContact CG-OE2 3.23Å
265	T	98.7	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-72.7	-42.6	172.2	-57.3	0	0	0	0	111.5	A261 F262 A267 L268 S269 L278 K281 F282 L326 W343	A261-T265 WeakPolarHBondContact O-CB 3.44Å; A261-T265 PolarHBondContact O-N 3Å; A261-T265 PolarHBondContact O-OG1 3.4Å; A261-T265 VanDerWaalsContact O-OG1 3.05Å; F262-T265 PolarHBondContact O-N 2.91Å; T265-A267 VanDerWaalsContact C-N 3.32Å; T265-A267 PolarHBondContact O-N 2.86Å; T265-L268 WeakPolarHBondContact O-CB 3.31Å; T265-L268 PolarHBondContact O-N 3.25Å; T265-L268 VanDerWaalsContact O-N 3.13Å; T265-S269 PolarHBondContact O-N 2.87Å; T265-L278 HydrophobicContact CG2-CB 4.09Å; T265-L278 HydrophobicContact CG2-CD2 3.93Å; T265-K281 HydrophobicContact CG2-CG 4.37Å; T265-F282 WeakPolarHBondContact OG1-CA 3.49Å; T265-F282 PolarHBondContact OG1-N 3.43Å; T265-L326 HydrophobicContact CG2-CD1 4.1Å; T265-W343 HydrophobicContact CG2-CH2 4.34Å; T265-W343 HydrophobicContact CG2-CZ2 4.19Å
266	M	98.6	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-45.3	172.5	-74.4	170.6	177.4	0	0	111.4	F262 L268 S269 R341 W343 P491 V497 A500	F262-M266 HydrophobicContact CD1-CE 4.3Å; F262-M266 WeakPolarHBondContact O-CB 3.27Å; F262-M266 VanDerWaalsContact O-CG 3.28Å; F262-M266 WeakPolarHBondContact O-CG 3.3Å; F262-M266 PolarHBondContact O-N 3.38Å; M266-L268 PolarHBondContact O-N 3.12Å; M266-S269 WeakPolarHBondContact O-CB 3.13Å; M266-S269 PolarHBondContact O-N 2.82Å; M266-R341 HydrophobicContact CE-CB 3.62Å; M266-R341 HydrophobicContact CE-CG 3.86Å; M266-W343 HydrophobicContact CE-CD2 4.24Å; M266-W343 HydrophobicContact CE-CE3 3.81Å; M266-W343 HydrophobicContact CE-CZ3 4.38Å; M266-W343 HydrophobicContact CG-CD2 3.85Å; M266-W343 HydrophobicContact CG-CE3 4.18Å; M266-W343 HydrophobicContact CG-CG 4.12Å; M266-W343 HydrophobicContact CG-CZ2 4.45Å; M266-P491 HydrophobicContact SD-CB 4.14Å; M266-P491 HydrophobicContact SD-CG 4.06Å; M266-V497 HydrophobicContact CE-CG2 4.43Å; M266-A500 HydrophobicContact CB-CB 4.17Å; M266-A500 HydrophobicContact SD-CB 3.89Å
267	A	97.8	Very high	97.4	Very high	12 Å²	12	37.6 Å²	37.6	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-25.1	178.2	0	0	0	0	0	114.2	R263 T265 S269 A500 M503 G504	R263-A267 WeakPolarHBondContact O-CB 3.49Å; R263-A267 PolarHBondContact O-N 2.89Å; R263-A267 VanDerWaalsContact O-N 3.08Å; T265-A267 VanDerWaalsContact C-N 3.32Å; T265-A267 PolarHBondContact O-N 2.86Å; A267-S269 VanDerWaalsContact C-N 3.34Å; A267-A500 WeakPolarHBondContact CA-O 3.41Å; A267-M503 HydrophobicContact CB-CB 4.28Å; A267-G504 VanDerWaalsContact O-CA 3.28Å; A267-G504 WeakPolarHBondContact O-CA 3.5Å
268	L	96.9	Very high	97.4	Very high	76 Å²	76	37.6 Å²	37.6	40%	0.398	20%	0.196	S	C	.	.	H	α-helix	trans	-78.1	-23.2	175.2	-173	73.4	0	0	0	112.1	R264 T265 M266 Q270 V277 K281	R264-L268 PolarHBondContact O-N 2.97Å; T265-L268 WeakPolarHBondContact O-CB 3.31Å; T265-L268 PolarHBondContact O-N 3.25Å; T265-L268 VanDerWaalsContact O-N 3.13Å; M266-L268 PolarHBondContact O-N 3.12Å; L268-Q270 PolarHBondContact O-N 3.24Å; L268-V277 HydrophobicContact CD2-CG1 3.77Å; L268-K281 HydrophobicContact CB-CG 4.26Å; L268-K281 HydrophobicContact CD2-CB 3.6Å; L268-K281 HydrophobicContact CD2-CD 4.03Å; L268-K281 HydrophobicContact CD2-CG 3.62Å
269	S	92.6	Very high	97.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.209	C	C	.	.			trans	-68.8	110.8	-172.7	-166.1	0	0	0	0	110.9	T265 M266 A267 W343 V345	T265-S269 PolarHBondContact O-N 2.87Å; M266-S269 WeakPolarHBondContact O-CB 3.13Å; M266-S269 PolarHBondContact O-N 2.82Å; A267-S269 VanDerWaalsContact C-N 3.34Å; S269-W343 PolarHBondContact OG-NE1 3.38Å; S269-V345 CarbonylContact C-O 3.45Å; S269-V345 WeakPolarHBondContact CB-O 3.32Å; S269-V345 VanDerWaalsContact O-O 3.04Å; S269-V345 WeakPolarHBondContact OG-CA 3.31Å; S269-V345 WeakPolarHBondContact OG-CG2 3.39Å; S269-V345 PolarHBondContact OG-O 2.95Å
270	Q	90.9	Very high	97.4	Very high	123 Å²	123	43.5 Å²	43.5	58%	0.575	23%	0.233	S	C	*	.			trans	-148.7	132	177.4	-63.8	-173.2	-1.1	0	0	111.1	L268 V345	L268-Q270 PolarHBondContact O-N 3.24Å; Q270-V345 PolarHBondContact N-O 3.49Å
271	G	91.6	Very high	97.4	Very high	29 Å²	29	43.5 Å²	43.5	30%	0.299	23%	0.232	S	C	.	.	S	Bend	trans	55.1	-143.7	176.9	0	0	0	0	0	113.3	V273 V345	G271-V273 PolarHBondContact O-N 2.81Å; G271-V345 WeakPolarHBondContact O-CG1 3.35Å
272	D	96.9	Very high	97.4	Very high	89 Å²	89	43.5 Å²	43.5	48%	0.476	23%	0.232	S	C	.	.	S	Bend	trans	-69.4	125.2	169.9	-80.6	18.3	0	0	0	110	I317 V318 K319 D320	D272-I317 HydrophobicContact CB-CG2 3.96Å; D272-V318 WeakPolarHBondContact CA-O 3.47Å; D272-K319 WeakPolarHBondContact OD1-CA 3.29Å; D272-K319 VanDerWaalsContact OD2-CD 3.28Å; D272-K319 WeakPolarHBondContact OD2-CD 3.42Å; D272-K319 IonicContact OD2-NZ 2.84Å; D272-K319 PolarHBondContact OD2-NZ 3.21Å; D272-D320 PolarHBondContact OD1-N 2.95Å
273	V	97.6	Very high	97.4	Very high	16 Å²	16	45.1 Å²	45.1	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.8	178.1	69.9	0	0	0	0	111	G271 V277 L278 V318 V345	G271-V273 PolarHBondContact O-N 2.81Å; V273-V277 HydrophobicContact CG2-CB 4.12Å; V273-V277 HydrophobicContact CG2-CG1 4.06Å; V273-L278 HydrophobicContact CG1-CD1 3.92Å; V273-L278 HydrophobicContact CG1-CD2 4.38Å; V273-L278 HydrophobicContact CG1-CG 4.13Å; V273-L278 HydrophobicContact CG2-CD2 4.21Å; V273-L278 HydrophobicContact CG2-CG 4.19Å; V273-V318 HydrophobicContact CG1-CB 4.14Å; V273-V318 HydrophobicContact CG1-CG2 4.42Å; V273-V318 PolarHBondContact N-O 3.27Å; V273-V318 PolarHBondContact O-N 2.81Å; V273-V345 HydrophobicContact CB-CG2 4.43Å; V273-V345 HydrophobicContact CG1-CG2 3.24Å
274	D	98.3	Very high	97.4	Very high	69 Å²	69	46.2 Å²	46.2	37%	0.369	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.9	172.5	-72.1	-71.1	0	0	0	111.3	S276 V277 L278 I317	D274-S276 PolarHBondContact O-N 3.25Å; D274-S276 VanDerWaalsContact O-N 3.17Å; D274-V277 HydrophobicContact CB-CB 4.38Å; D274-V277 HydrophobicContact CB-CG2 4Å; D274-V277 WeakPolarHBondContact O-CB 3.25Å; D274-V277 PolarHBondContact O-N 3.37Å; D274-L278 PolarHBondContact O-N 3.17Å; D274-I317 WeakPolarHBondContact OD1-CG1 3.33Å
275	E	98.8	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-53.9	-35.6	170.9	-71	164.7	170.4	0	0	111.5	V277 L278 F279 V300 G302 R305 Y311 N314 N315 Q316 V318	E275-V277 VanDerWaalsContact C-N 3.3Å; E275-V277 PolarHBondContact O-N 3.18Å; E275-L278 PolarHBondContact O-N 2.93Å; E275-F279 PolarHBondContact O-N 2.89Å; E275-V300 HydrophobicContact CB-CB 4.22Å; E275-V300 HydrophobicContact CB-CG1 3.93Å; E275-V300 HydrophobicContact CG-CG1 4.21Å; E275-V300 VanDerWaalsContact CG-O 3.24Å; E275-V300 WeakPolarHBondContact CG-O 3.45Å; E275-V300 WeakPolarHBondContact O-CG1 3.41Å; E275-G302 PolarHBondContact OE1-N 2.92Å; E275-R305 IonicContact OE1-CZ 2.67Å; E275-R305 VanDerWaalsContact OE1-CZ 3.27Å; E275-R305 IonicContact OE1-NE 2.84Å; E275-R305 PolarHBondContact OE1-NE 2.58Å; E275-R305 IonicContact OE1-NH2 2.65Å; E275-R305 PolarHBondContact OE1-NH2 3.17Å; E275-Y311 VanDerWaalsContact OE2-CE1 3.31Å; E275-Y311 WeakPolarHBondContact OE2-CE1 3.3Å; E275-Y311 PolarHBondContact OE2-OH 3.37Å; E275-N314 HydrophobicContact CB-CB 4.33Å; E275-N315 PolarHBondContact OE2-N 3.05Å; E275-N315 VanDerWaalsContact OE2-N 3.12Å; E275-Q316 VanDerWaalsContact CG-O 3.28Å; E275-Q316 WeakPolarHBondContact CG-O 3.35Å; E275-Q316 PolarHBondContact N-O 2.74Å; E275-Q316 WeakPolarHBondContact OE2-CB 3.39Å; E275-Q316 PolarHBondContact OE2-N 2.76Å; E275-V318 HydrophobicContact CG-CG2 3.61Å
276	S	98.6	Very high	97.4	Very high	56 Å²	56	41 Å²	41	39%	0.392	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-30.8	176.6	69	0	0	0	0	113.5	D274 A280 N314	D274-S276 PolarHBondContact O-N 3.25Å; D274-S276 VanDerWaalsContact O-N 3.17Å; S276-A280 WeakPolarHBondContact O-CB 3.43Å; S276-A280 PolarHBondContact O-N 2.82Å; S276-N314 WeakPolarHBondContact CA-O 3.33Å; S276-N314 WeakPolarHBondContact CB-O 3.2Å; S276-N314 PolarHBondContact N-O 3.17Å
277	V	98.6	Very high	97.4	Very high	64 Å²	64	46.5 Å²	46.5	39%	0.388	25%	0.249	S	C	.	.	H	α-helix	trans	-71.3	-43.2	175.8	168.4	0	0	0	0	110.1	L268 V273 D274 E275 A280 K281	L268-V277 HydrophobicContact CD2-CG1 3.77Å; V273-V277 HydrophobicContact CG2-CB 4.12Å; V273-V277 HydrophobicContact CG2-CG1 4.06Å; D274-V277 HydrophobicContact CB-CB 4.38Å; D274-V277 HydrophobicContact CB-CG2 4Å; D274-V277 WeakPolarHBondContact O-CB 3.25Å; D274-V277 PolarHBondContact O-N 3.37Å; E275-V277 VanDerWaalsContact C-N 3.3Å; E275-V277 PolarHBondContact O-N 3.18Å; V277-A280 PolarHBondContact O-N 3.34Å; V277-K281 VanDerWaalsContact O-CB 3.3Å; V277-K281 WeakPolarHBondContact O-CB 3.5Å; V277-K281 PolarHBondContact O-N 3.23Å
278	L	98.7	Very high	97.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-39.6	176	-62.9	179.4	0	0	0	111.8	T265 V273 D274 E275 F282 V300 V324 W343	T265-L278 HydrophobicContact CG2-CB 4.09Å; T265-L278 HydrophobicContact CG2-CD2 3.93Å; V273-L278 HydrophobicContact CG1-CD1 3.92Å; V273-L278 HydrophobicContact CG1-CD2 4.38Å; V273-L278 HydrophobicContact CG1-CG 4.13Å; V273-L278 HydrophobicContact CG2-CD2 4.21Å; V273-L278 HydrophobicContact CG2-CG 4.19Å; D274-L278 PolarHBondContact O-N 3.17Å; E275-L278 PolarHBondContact O-N 2.93Å; L278-F282 VanDerWaalsContact O-CB 3.31Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 3.41Å; L278-V300 HydrophobicContact CB-CG1 3.85Å; L278-V300 HydrophobicContact CD1-CG1 4.22Å; L278-V324 HydrophobicContact CD1-CB 4.4Å; L278-V324 HydrophobicContact CD1-CG1 4.13Å; L278-V324 HydrophobicContact CD1-CG2 3.94Å; L278-W343 HydrophobicContact CD1-CZ2 4.35Å
279	F	98.8	Very high	97.5	Very high	65 Å²	65	49 Å²	49	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-56.3	-61.9	168.6	-179.3	164.8	0	0	0	109.5	E275 K281 F282 D283 L294 P298 V300 N314	E275-F279 PolarHBondContact O-N 2.89Å; F279-K281 PolarHBondContact O-N 2.96Å; F279-K281 VanDerWaalsContact O-N 3.14Å; F279-F282 WeakPolarHBondContact O-CA 3.33Å; F279-F282 WeakPolarHBondContact O-CB 3.46Å; F279-F282 PolarHBondContact O-N 2.81Å; F279-D283 HydrophobicContact CD2-CB 4.31Å; F279-D283 HydrophobicContact CE2-CB 4.23Å; F279-D283 PolarHBondContact O-N 3.14Å; F279-L294 HydrophobicContact CD2-CD1 4.48Å; F279-L294 HydrophobicContact CE2-CD1 3.69Å; F279-L294 HydrophobicContact CZ-CD1 4.37Å; F279-P298 HydrophobicContact CD2-CG 4.39Å; F279-P298 HydrophobicContact CE2-CG 4.28Å; F279-V300 HydrophobicContact CB-CG2 3.96Å; F279-N314 HydrophobicContact CD1-CB 4.17Å; F279-N314 WeakPolarHBondContact CD1-ND2 3.47Å
280	A	98.7	Very high	97.7	Very high	60 Å²	60	50.5 Å²	50.5	50%	0.496	28%	0.275	S	S	.	.	H	α-helix	trans	-55.1	-39.6	-174.3	0	0	0	0	0	112.2	S276 V277 F284	S276-A280 WeakPolarHBondContact O-CB 3.43Å; S276-A280 PolarHBondContact O-N 2.82Å; V277-A280 PolarHBondContact O-N 3.34Å; A280-F284 VanDerWaalsContact O-CB 3.23Å; A280-F284 WeakPolarHBondContact O-CB 3.32Å; A280-F284 PolarHBondContact O-N 3.34Å
281	K	98.7	Very high	98	Very high	48 Å²	48	45.1 Å²	45.1	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-48.7	173	179.6	58.8	168.8	-179.7	0	112	R264 T265 L268 V277 F279 F284 E285	R264-K281 WeakPolarHBondContact O-CE 3.38Å; T265-K281 HydrophobicContact CG2-CG 4.37Å; L268-K281 HydrophobicContact CB-CG 4.26Å; L268-K281 HydrophobicContact CD2-CB 3.6Å; L268-K281 HydrophobicContact CD2-CD 4.03Å; L268-K281 HydrophobicContact CD2-CG 3.62Å; V277-K281 VanDerWaalsContact O-CB 3.3Å; V277-K281 WeakPolarHBondContact O-CB 3.5Å; V277-K281 PolarHBondContact O-N 3.23Å; F279-K281 PolarHBondContact O-N 2.96Å; F279-K281 VanDerWaalsContact O-N 3.14Å; K281-F284 PolarHBondContact O-N 2.76Å; K281-E285 HydrophobicContact CD-CG 3.94Å; K281-E285 VanDerWaalsContact CE-OE1 3.24Å; K281-E285 WeakPolarHBondContact CE-OE1 3.43Å; K281-E285 HydrophobicContact CG-CG 4.41Å; K281-E285 IonicContact NZ-OE1 2.7Å; K281-E285 PolarHBondContact NZ-OE1 3.1Å; K281-E285 WeakPolarHBondContact O-CB 3.23Å; K281-E285 WeakPolarHBondContact O-CG 3.29Å; K281-E285 PolarHBondContact O-N 3.11Å
282	F	98.9	Very high	98.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-45.9	179.2	-176.7	-103.3	0	0	0	112.2	T258 A261 F262 T265 L278 F279 E285 N286 L294 P298 L326 G328	T258-F282 HydrophobicContact CG2-CE2 4.22Å; T258-F282 HydrophobicContact CG2-CZ 3.8Å; A261-F282 HydrophobicContact CB-CD2 3.74Å; A261-F282 HydrophobicContact CB-CE2 3.71Å; F262-F282 AromaticContact CD2-CE2 3.69Å; F262-F282 HydrophobicContact CD2-CE2 3.69Å; F262-F282 HydrophobicContact CD2-CZ 4.37Å; F262-F282 AromaticContact CE2-CE2 3.59Å; F262-F282 HydrophobicContact CE2-CE2 3.59Å; F262-F282 AromaticContact CE2-CZ 3.9Å; F262-F282 HydrophobicContact CE2-CZ 3.9Å; F262-F282 HydrophobicContact CG-CE2 4.25Å; F262-F282 HydrophobicContact CZ-CE2 4.14Å; F262-F282 HydrophobicContact CZ-CZ 4.46Å; T265-F282 WeakPolarHBondContact OG1-CA 3.49Å; T265-F282 PolarHBondContact OG1-N 3.43Å; L278-F282 VanDerWaalsContact O-CB 3.31Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 3.41Å; F279-F282 WeakPolarHBondContact O-CA 3.33Å; F279-F282 WeakPolarHBondContact O-CB 3.46Å; F279-F282 PolarHBondContact O-N 2.81Å; F282-E285 PolarHBondContact O-N 2.9Å; F282-N286 WeakPolarHBondContact CD1-ND2 3.3Å; F282-N286 WeakPolarHBondContact CE1-ND2 3.38Å; F282-N286 VanDerWaalsContact CZ-ND2 3.27Å; F282-N286 WeakPolarHBondContact CZ-ND2 3.46Å; F282-N286 PolarHBondContact O-N 2.88Å; F282-N286 PolarHBondContact O-ND2 2.83Å; F282-L294 HydrophobicContact CD1-CD2 3.95Å; F282-L294 HydrophobicContact CE1-CD2 3.8Å; F282-P298 HydrophobicContact CD1-CG 4.32Å; F282-L326 HydrophobicContact CB-CD1 4.17Å; F282-L326 HydrophobicContact CD1-CD2 4.25Å; F282-L326 HydrophobicContact CD2-CD1 4.41Å; F282-L326 HydrophobicContact CD2-CD2 4.01Å; F282-L326 HydrophobicContact CE1-CD2 4.27Å; F282-L326 HydrophobicContact CE2-CD2 4.02Å; F282-L326 HydrophobicContact CG-CD1 4.26Å; F282-L326 HydrophobicContact CG-CD2 4.11Å; F282-L326 HydrophobicContact CZ-CD2 4.14Å; F282-G328 VanDerWaalsContact CZ-C 3.46Å; F282-G328 WeakPolarHBondContact CZ-O 3.36Å
283	D	98.8	Very high	98.1	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-48.2	175.8	-172.6	25.5	0	0	0	111.4	F279 E285 N286 R287 L294	F279-D283 HydrophobicContact CD2-CB 4.31Å; F279-D283 HydrophobicContact CE2-CB 4.23Å; F279-D283 PolarHBondContact O-N 3.14Å; D283-E285 VanDerWaalsContact C-N 3.31Å; D283-E285 PolarHBondContact O-N 3.46Å; D283-N286 PolarHBondContact O-N 2.95Å; D283-R287 VanDerWaalsContact CG-NE 3.28Å; D283-R287 WeakPolarHBondContact O-CG 3.46Å; D283-R287 PolarHBondContact O-N 2.95Å; D283-R287 IonicContact OD1-CZ 2.71Å; D283-R287 IonicContact OD1-NE 3.95Å; D283-R287 PolarHBondContact OD1-NE 2.76Å; D283-R287 IonicContact OD1-NH2 3.71Å; D283-R287 IonicContact OD2-CZ 2.95Å; D283-R287 IonicContact OD2-NE 3.72Å; D283-R287 PolarHBondContact OD2-NE 3.18Å; D283-R287 IonicContact OD2-NH2 3.27Å; D283-L294 HydrophobicContact CB-CD1 3.89Å; D283-L294 HydrophobicContact CB-CG 4.38Å; D283-L294 WeakPolarHBondContact OD1-CG 3.06Å
284	F	98.8	Very high	98.2	Very high	108 Å²	108	45.8 Å²	45.8	47%	0.474	24%	0.244	S	C	.	.	H	α-helix	trans	-53.2	-50.2	176.9	171.5	-96.6	0	0	0	111.4	A280 K281 N286 R287 I288	A280-F284 VanDerWaalsContact O-CB 3.23Å; A280-F284 WeakPolarHBondContact O-CB 3.32Å; A280-F284 PolarHBondContact O-N 3.34Å; K281-F284 PolarHBondContact O-N 2.76Å; F284-N286 PolarHBondContact O-N 2.96Å; F284-R287 PolarHBondContact O-N 3.38Å; F284-I288 HydrophobicContact CD1-CD1 4.28Å; F284-I288 HydrophobicContact CD1-CG2 4.49Å; F284-I288 HydrophobicContact CD2-CG2 4.05Å; F284-I288 HydrophobicContact CE1-CD1 3.63Å; F284-I288 HydrophobicContact CE1-CG1 4.32Å; F284-I288 HydrophobicContact CE1-CG2 4.12Å; F284-I288 HydrophobicContact CE2-CG2 3.63Å; F284-I288 HydrophobicContact CG-CG2 4.47Å; F284-I288 HydrophobicContact CZ-CD1 4.03Å; F284-I288 HydrophobicContact CZ-CG2 3.67Å; F284-I288 WeakPolarHBondContact O-CG1 3.34Å; F284-I288 WeakPolarHBondContact O-CG2 3.33Å; F284-I288 PolarHBondContact O-N 2.76Å
285	E	98.8	Very high	98.2	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-41.5	-178.1	-67.8	-68.4	163.8	0	0	112.1	A261 R264 K281 F282 D283 R287 I288 H289	A261-E285 HydrophobicContact CB-CB 3.66Å; R264-E285 HydrophobicContact CB-CB 4.46Å; R264-E285 VanDerWaalsContact CB-CD 3.41Å; R264-E285 HydrophobicContact CB-CG 3.6Å; R264-E285 HydrophobicContact CG-CG 4.33Å; R264-E285 WeakPolarHBondContact CG-OE2 3.23Å; K281-E285 HydrophobicContact CD-CG 3.94Å; K281-E285 VanDerWaalsContact CE-OE1 3.24Å; K281-E285 WeakPolarHBondContact CE-OE1 3.43Å; K281-E285 HydrophobicContact CG-CG 4.41Å; K281-E285 IonicContact NZ-OE1 2.7Å; K281-E285 PolarHBondContact NZ-OE1 3.1Å; K281-E285 WeakPolarHBondContact O-CB 3.23Å; K281-E285 WeakPolarHBondContact O-CG 3.29Å; K281-E285 PolarHBondContact O-N 3.11Å; F282-E285 PolarHBondContact O-N 2.9Å; D283-E285 VanDerWaalsContact C-N 3.31Å; D283-E285 PolarHBondContact O-N 3.46Å; E285-R287 PolarHBondContact O-N 3.23Å; E285-I288 WeakPolarHBondContact O-CG1 3.45Å; E285-H289 WeakPolarHBondContact O-CB 3.45Å; E285-H289 PolarHBondContact O-N 2.88Å; E285-H289 PolarHBondContact O-ND1 3.21Å; E285-H289 IonicContact OE2-CE1 2.98Å; E285-H289 PolarHBondContact OE2-CE1 3.48Å; E285-H289 IonicContact OE2-ND1 3.61Å
286	N	98.8	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-46.7	174.7	-78	-68.4	0	0	0	111.5	I257 T258 A261 F282 D283 F284 H289 G290 A291 L294 C330	I257-N286 HydrophobicContact CG2-CB 4.4Å; T258-N286 WeakPolarHBondContact CA-OD1 3.47Å; A261-N286 WeakPolarHBondContact CB-ND2 3.34Å; F282-N286 WeakPolarHBondContact CD1-ND2 3.3Å; F282-N286 WeakPolarHBondContact CE1-ND2 3.38Å; F282-N286 VanDerWaalsContact CZ-ND2 3.27Å; F282-N286 WeakPolarHBondContact CZ-ND2 3.46Å; F282-N286 PolarHBondContact O-N 2.88Å; F282-N286 PolarHBondContact O-ND2 2.83Å; D283-N286 PolarHBondContact O-N 2.95Å; F284-N286 PolarHBondContact O-N 2.96Å; N286-H289 PolarHBondContact O-N 2.76Å; N286-G290 PolarHBondContact O-N 3.25Å; N286-A291 HydrophobicContact CB-CB 4.07Å; N286-A291 WeakPolarHBondContact O-CB 3.37Å; N286-A291 PolarHBondContact O-N 2.79Å; N286-L294 HydrophobicContact CB-CD2 4.44Å; N286-C330 HydrophobicContact CB-CB 4.08Å; N286-C330 WeakPolarHBondContact OD1-CB 3.26Å
287	R	98.5	Very high	98.2	Very high	116 Å²	116	47.1 Å²	47.1	44%	0.438	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-46.7	-178.1	-70	176.2	-178.3	-74.3	-3	113	D283 F284 E285 H289 G290 N292	D283-R287 VanDerWaalsContact CG-NE 3.28Å; D283-R287 WeakPolarHBondContact O-CG 3.46Å; D283-R287 PolarHBondContact O-N 2.95Å; D283-R287 IonicContact OD1-CZ 2.71Å; D283-R287 IonicContact OD1-NE 3.95Å; D283-R287 PolarHBondContact OD1-NE 2.76Å; D283-R287 IonicContact OD1-NH2 3.71Å; D283-R287 IonicContact OD2-CZ 2.95Å; D283-R287 IonicContact OD2-NE 3.72Å; D283-R287 PolarHBondContact OD2-NE 3.18Å; D283-R287 IonicContact OD2-NH2 3.27Å; F284-R287 PolarHBondContact O-N 3.38Å; E285-R287 PolarHBondContact O-N 3.23Å; R287-H289 PolarHBondContact O-N 3.34Å; R287-G290 PolarHBondContact O-N 2.9Å; R287-N292 PolarHBondContact NH1-O 3.3Å
288	I	98.1	Very high	98.1	Very high	96 Å²	96	44.1 Å²	44.1	49%	0.492	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-21.9	-178.6	66.7	163.5	0	0	0	112.7	F284 E285 G290	F284-I288 HydrophobicContact CD1-CD1 4.28Å; F284-I288 HydrophobicContact CD1-CG2 4.49Å; F284-I288 HydrophobicContact CD2-CG2 4.05Å; F284-I288 HydrophobicContact CE1-CD1 3.63Å; F284-I288 HydrophobicContact CE1-CG1 4.32Å; F284-I288 HydrophobicContact CE1-CG2 4.12Å; F284-I288 HydrophobicContact CE2-CG2 3.63Å; F284-I288 HydrophobicContact CG-CG2 4.47Å; F284-I288 HydrophobicContact CZ-CD1 4.03Å; F284-I288 HydrophobicContact CZ-CG2 3.67Å; F284-I288 WeakPolarHBondContact O-CG1 3.34Å; F284-I288 WeakPolarHBondContact O-CG2 3.33Å; F284-I288 PolarHBondContact O-N 2.76Å; E285-I288 WeakPolarHBondContact O-CG1 3.45Å; I288-G290 VanDerWaalsContact C-N 3.31Å
289	H	97.9	Very high	98.2	Very high	43 Å²	43	44.5 Å²	44.5	20%	0.199	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.4	174.8	-69.4	99.8	0	0	0	113.2	I257 Q260 E285 N286 R287	I257-H289 HydrophobicContact CB-CB 4.41Å; I257-H289 WeakPolarHBondContact CD1-O 3.34Å; I257-H289 HydrophobicContact CG1-CB 4.12Å; I257-H289 HydrophobicContact CG2-CB 3.87Å; Q260-H289 PolarHBondContact NE2-NE2 3.27Å; E285-H289 WeakPolarHBondContact O-CB 3.45Å; E285-H289 PolarHBondContact O-N 2.88Å; E285-H289 PolarHBondContact O-ND1 3.21Å; E285-H289 IonicContact OE2-CE1 2.98Å; E285-H289 PolarHBondContact OE2-CE1 3.48Å; E285-H289 IonicContact OE2-ND1 3.61Å; N286-H289 PolarHBondContact O-N 2.76Å; R287-H289 PolarHBondContact O-N 3.34Å
290	G	96.2	Very high	98.2	Very high	34 Å²	34	41.4 Å²	41.4	35%	0.351	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.7	3.6	168.6	0	0	0	0	0	115.6	N286 R287 I288 Y332	N286-G290 PolarHBondContact O-N 3.25Å; R287-G290 PolarHBondContact O-N 2.9Å; I288-G290 VanDerWaalsContact C-N 3.31Å; G290-Y332 WeakPolarHBondContact O-CD2 3.47Å; G290-Y332 WeakPolarHBondContact O-CE2 3.48Å
291	A	98.3	Very high	98.2	Very high	10 Å²	10	38.6 Å²	38.6	8%	0.083	20%	0.2	C	C	.	.			trans	-62.4	143.7	173.1	0	0	0	0	0	111.4	I257 N286 C330	I257-A291 HydrophobicContact CG2-CB 4.21Å; N286-A291 HydrophobicContact CB-CB 4.07Å; N286-A291 WeakPolarHBondContact O-CB 3.37Å; N286-A291 PolarHBondContact O-N 2.79Å; A291-C330 HydrophobicContact CB-CB 3.59Å
292	N	96.4	Very high	98.2	Very high	52 Å²	52	36.3 Å²	36.3	28%	0.278	19%	0.19	S	C	.	.	S	Bend	trans	-73.3	-47.6	173.4	-57.9	115.3	0	0	0	110.4	R287 E331 F333	R287-N292 PolarHBondContact NH1-O 3.3Å; N292-E331 PolarHBondContact N-O 3.48Å; N292-F333 WeakPolarHBondContact OD1-CA 3.38Å; N292-F333 PolarHBondContact OD1-N 3.36Å
293	F	94.9	Very high	98.1	Very high	66 Å²	66	36.7 Å²	36.7	29%	0.289	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	170.7	-175.6	-50.5	-69.8	0	0	0	110.8	P120 C330 E331	P120-F293 HydrophobicContact CB-CE1 3.85Å; P120-F293 HydrophobicContact CB-CZ 4.18Å; F293-C330 WeakPolarHBondContact O-CA 3.37Å; F293-E331 PolarHBondContact O-N 3.5Å
294	L	98.5	Very high	98.1	Very high	31 Å²	31	37 Å²	37	16%	0.162	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.8	154.8	-65.7	172.3	0	0	0	108.8	F279 F282 D283 N286 Y296 P298 G329	F279-L294 HydrophobicContact CD2-CD1 4.48Å; F279-L294 HydrophobicContact CE2-CD1 3.69Å; F279-L294 HydrophobicContact CZ-CD1 4.37Å; F282-L294 HydrophobicContact CD1-CD2 3.95Å; F282-L294 HydrophobicContact CE1-CD2 3.8Å; D283-L294 HydrophobicContact CB-CD1 3.89Å; D283-L294 HydrophobicContact CB-CG 4.38Å; D283-L294 WeakPolarHBondContact OD1-CG 3.06Å; N286-L294 HydrophobicContact CB-CD2 4.44Å; L294-Y296 VanDerWaalsContact C-N 3.31Å; L294-P298 HydrophobicContact CD1-CG 3.64Å; L294-P298 HydrophobicContact CD2-CG 4.42Å; L294-G329 WeakPolarHBondContact CA-O 3.44Å
295	A	98.3	Very high	98.1	Very high	26 Å²	26	34.4 Å²	34.4	22%	0.215	18%	0.183	C	C	.	.	S	Bend	trans	-72	-27.7	-178.3	0	0	0	0	0	112.6	G329 V336 V427	A295-G329 PolarHBondContact N-O 2.92Å; A295-V336 HydrophobicContact CB-CB 3.72Å; A295-V336 HydrophobicContact CB-CG1 3.56Å; A295-V427 HydrophobicContact CB-CG2 3.89Å
296	Y	98.4	Very high	98.1	Very high	41 Å²	41	34 Å²	34	16%	0.161	18%	0.181	C	C	.	.	S	Bend	trans	-155.9	162.6	179.3	51.8	-81	0	0	0	109.6	L294 P298 D327 G328 G329 D338 V427	L294-Y296 VanDerWaalsContact C-N 3.31Å; Y296-P298 VanDerWaalsContact O-CD 3.22Å; Y296-P298 WeakPolarHBondContact O-CD 3.45Å; Y296-D327 VanDerWaalsContact CE2-OD1 3.24Å; Y296-D327 WeakPolarHBondContact CE2-OD1 3.33Å; Y296-D327 VanDerWaalsContact CZ-OD1 3.28Å; Y296-D327 PolarHBondContact OH-OD1 3.03Å; Y296-G328 WeakPolarHBondContact OH-CA 3.43Å; Y296-G328 PolarHBondContact OH-N 2.84Å; Y296-G328 VanDerWaalsContact OH-N 3.16Å; Y296-G329 PolarHBondContact OH-N 3.48Å; Y296-D338 HydrophobicContact CE1-CB 4.47Å; Y296-D338 PolarHBondContact OH-OD1 2.7Å; Y296-V427 HydrophobicContact CD1-CB 4.39Å; Y296-V427 HydrophobicContact CD1-CG1 4Å; Y296-V427 HydrophobicContact CD1-CG2 3.48Å; Y296-V427 VanDerWaalsContact CD1-CG2 3.48Å; Y296-V427 HydrophobicContact CE1-CG1 4.17Å; Y296-V427 HydrophobicContact CE1-CG2 4.19Å; Y296-V427 HydrophobicContact CG-CG2 4.31Å
297	P	98.3	Very high	98.1	Very high	85 Å²	85	35 Å²	35	55%	0.552	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-59.1	117.3	171.3	-21.8	33.8	0	0	0	109.9	I312	P297-I312 HydrophobicContact CB-CG2 4.2Å
298	P	98.4	Very high	98.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-64	145.3	-177.8	-22.1	34	0	0	0	111.1	F279 F282 L294 Y296 V300 N314 D327	F279-P298 HydrophobicContact CD2-CG 4.39Å; F279-P298 HydrophobicContact CE2-CG 4.28Å; F282-P298 HydrophobicContact CD1-CG 4.32Å; L294-P298 HydrophobicContact CD1-CG 3.64Å; L294-P298 HydrophobicContact CD2-CG 4.42Å; Y296-P298 VanDerWaalsContact O-CD 3.22Å; Y296-P298 WeakPolarHBondContact O-CD 3.45Å; P298-V300 HydrophobicContact CB-CG2 4.38Å; P298-N314 PolarHBondContact O-ND2 3.2Å; P298-D327 CarbonylContact C-O 3.58Å; P298-D327 WeakPolarHBondContact CA-O 3.16Å; P298-D327 WeakPolarHBondContact CB-O 3.49Å
299	V	98.9	Very high	98	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.055	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.3	162.5	172.9	0	0	0	0	107.1	A301 Y311 I312 L325 L326 D327	V299-A301 HydrophobicContact CG1-CB 3.88Å; V299-Y311 VanDerWaalsContact CA-O 3.32Å; V299-Y311 WeakPolarHBondContact CA-O 3.31Å; V299-Y311 WeakPolarHBondContact CG1-O 3.47Å; V299-I312 HydrophobicContact CG2-CG2 4.42Å; V299-L325 HydrophobicContact CG1-CD2 4.07Å; V299-L326 CarbonylContact O-C 3.57Å; V299-L326 WeakPolarHBondContact O-CA 3.14Å; V299-D327 HydrophobicContact CB-CB 3.94Å; V299-D327 HydrophobicContact CG2-CB 4.39Å; V299-D327 PolarHBondContact N-O 2.86Å; V299-D327 PolarHBondContact O-N 3.45Å
300	V	98.8	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	93.7	170.6	-170.4	0	0	0	0	107.6	E275 L278 F279 P298 Y311 N314 V324 L326	E275-V300 HydrophobicContact CB-CB 4.22Å; E275-V300 HydrophobicContact CB-CG1 3.93Å; E275-V300 HydrophobicContact CG-CG1 4.21Å; E275-V300 VanDerWaalsContact CG-O 3.24Å; E275-V300 WeakPolarHBondContact CG-O 3.45Å; E275-V300 WeakPolarHBondContact O-CG1 3.41Å; L278-V300 HydrophobicContact CB-CG1 3.85Å; L278-V300 HydrophobicContact CD1-CG1 4.22Å; F279-V300 HydrophobicContact CB-CG2 3.96Å; P298-V300 HydrophobicContact CB-CG2 4.38Å; V300-Y311 WeakPolarHBondContact O-CE1 3.5Å; V300-N314 HydrophobicContact CB-CB 4.31Å; V300-N314 PolarHBondContact N-OD1 3.37Å; V300-N314 PolarHBondContact O-OD1 2.95Å; V300-V324 HydrophobicContact CG1-CG2 3.99Å; V300-L326 HydrophobicContact CG1-CD1 4.48Å; V300-L326 HydrophobicContact CG2-CD1 4.03Å; V300-L326 HydrophobicContact CG2-CG 4.06Å
301	A	98.8	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.2	-166.9	0	0	0	0	0	111.4	V299 R305 A306 Y311 V324 L325	V299-A301 HydrophobicContact CG1-CB 3.88Å; A301-R305 HydrophobicContact CB-CB 4.28Å; A301-A306 HydrophobicContact CB-CB 4.37Å; A301-Y311 HydrophobicContact CB-CD1 3.75Å; A301-Y311 HydrophobicContact CB-CG 4.15Å; A301-V324 WeakPolarHBondContact O-CA 3.23Å; A301-L325 PolarHBondContact N-O 3.42Å; A301-L325 PolarHBondContact O-N 3.15Å
302	G	98.6	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	147.3	174.9	0	0	0	0	0	113.9	E275 N304 R305 L323	E275-G302 PolarHBondContact OE1-N 2.92Å; G302-N304 PolarHBondContact O-N 2.9Å; G302-R305 VanDerWaalsContact O-CB 3.3Å; G302-R305 WeakPolarHBondContact O-CB 3.5Å; G302-R305 PolarHBondContact O-N 3.32Å; G302-R305 VanDerWaalsContact O-N 3.14Å; G302-R305 PolarHBondContact O-NE 3.34Å; G302-R305 PolarHBondContact O-NH1 3.47Å; G302-R305 PolarHBondContact O-NH2 3.1Å; G302-L323 CarbonylContact C-O 3.04Å; G302-L323 WeakPolarHBondContact CA-O 3.13Å
303	G	98.5	Very high	98.1	Very high	8 Å²	8	42.8 Å²	42.8	8%	0.082	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	53.7	-136.5	174.9	0	0	0	0	0	112.9	R305 A306 L323 G466	G303-R305 PolarHBondContact O-N 3.33Å; G303-A306 WeakPolarHBondContact O-CB 3.22Å; G303-A306 PolarHBondContact O-N 3.48Å; G303-A306 VanDerWaalsContact O-N 3.12Å; G303-L323 PolarHBondContact N-O 3.41Å; G303-G466 CarbonylContact C-O 3.35Å
304	N	98.6	Very high	98.2	Very high	41 Å²	41	40 Å²	40	22%	0.219	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.5	-19.1	-178.9	-173.6	47.9	0	0	0	113.8	G302 A306 N307 E455 G466	G302-N304 PolarHBondContact O-N 2.9Å; N304-A306 PolarHBondContact O-N 2.97Å; N304-N307 VanDerWaalsContact O-CB 3.31Å; N304-N307 WeakPolarHBondContact O-CB 3.47Å; N304-N307 PolarHBondContact O-N 3.16Å; N304-N307 PolarHBondContact O-ND2 2.97Å; N304-N307 PolarHBondContact OD1-ND2 2.83Å; N304-E455 HydrophobicContact CB-CB 4.37Å; N304-E455 WeakPolarHBondContact ND2-CG 3.47Å; N304-E455 PolarHBondContact ND2-OE1 3.34Å; N304-E455 PolarHBondContact OD1-N 3.45Å; N304-G466 VanDerWaalsContact CA-O 3.27Å; N304-G466 WeakPolarHBondContact CA-O 3.26Å; N304-G466 PolarHBondContact N-O 2.83Å
305	R	98.8	Very high	98.2	Very high	54 Å²	54	42.7 Å²	42.7	20%	0.204	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-67	-22.4	179.1	-59.8	173.7	-63.8	-78.7	5.8	111.9	E275 A301 G302 G303 N307 T308 Y311 I317	E275-R305 IonicContact OE1-CZ 2.67Å; E275-R305 VanDerWaalsContact OE1-CZ 3.27Å; E275-R305 IonicContact OE1-NE 2.84Å; E275-R305 PolarHBondContact OE1-NE 2.58Å; E275-R305 IonicContact OE1-NH2 2.65Å; E275-R305 PolarHBondContact OE1-NH2 3.17Å; A301-R305 HydrophobicContact CB-CB 4.28Å; G302-R305 VanDerWaalsContact O-CB 3.3Å; G302-R305 WeakPolarHBondContact O-CB 3.5Å; G302-R305 PolarHBondContact O-N 3.32Å; G302-R305 VanDerWaalsContact O-N 3.14Å; G302-R305 PolarHBondContact O-NE 3.34Å; G302-R305 PolarHBondContact O-NH1 3.47Å; G302-R305 PolarHBondContact O-NH2 3.1Å; G303-R305 PolarHBondContact O-N 3.33Å; R305-N307 PolarHBondContact O-N 3.01Å; R305-N307 VanDerWaalsContact O-N 3.07Å; R305-T308 WeakPolarHBondContact O-CB 2.98Å; R305-T308 PolarHBondContact O-N 3.02Å; R305-Y311 HydrophobicContact CB-CD2 4.24Å; R305-Y311 HydrophobicContact CB-CE2 4.18Å; R305-Y311 HydrophobicContact CG-CE2 4.3Å; R305-I317 PolarHBondContact NH2-O 2.84Å
306	A	98.5	Very high	98.2	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.2	-18.9	171.5	0	0	0	0	0	113.1	A301 G303 N304 T308 L325 Y452	A301-A306 HydrophobicContact CB-CB 4.37Å; G303-A306 WeakPolarHBondContact O-CB 3.22Å; G303-A306 PolarHBondContact O-N 3.48Å; G303-A306 VanDerWaalsContact O-N 3.12Å; N304-A306 PolarHBondContact O-N 2.97Å; A306-T308 VanDerWaalsContact C-N 3.27Å; A306-T308 PolarHBondContact O-N 3.46Å; A306-L325 HydrophobicContact CB-CB 3.84Å; A306-L325 HydrophobicContact CB-CD1 4.22Å; A306-Y452 VanDerWaalsContact O-CD1 3.3Å; A306-Y452 WeakPolarHBondContact O-CD1 3.48Å
307	N	98.6	Very high	98.2	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.112	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-80.5	-2.4	174	-60	-50.8	0	0	0	113.7	N304 R305 Y452 I453 L467 G468	N304-N307 VanDerWaalsContact O-CB 3.31Å; N304-N307 WeakPolarHBondContact O-CB 3.47Å; N304-N307 PolarHBondContact O-N 3.16Å; N304-N307 PolarHBondContact O-ND2 2.97Å; N304-N307 PolarHBondContact OD1-ND2 2.83Å; R305-N307 PolarHBondContact O-N 3.01Å; R305-N307 VanDerWaalsContact O-N 3.07Å; N307-Y452 VanDerWaalsContact OD1-C 3.28Å; N307-Y452 WeakPolarHBondContact OD1-CA 3.1Å; N307-Y452 WeakPolarHBondContact OD1-CB 3.19Å; N307-I453 PolarHBondContact ND2-O 3.02Å; N307-I453 VanDerWaalsContact ND2-O 3.13Å; N307-I453 PolarHBondContact OD1-N 3.47Å; N307-L467 PolarHBondContact OD1-O 2.82Å; N307-G468 WeakPolarHBondContact OD1-CA 3.3Å
308	T	98.5	Very high	98.2	Very high	79 Å²	79	43.3 Å²	43.3	49%	0.485	22%	0.221	S	C	.	.	S	Bend	trans	-99.8	101.9	171.1	-60.4	0	0	0	0	109.4	R305 A306 H310 Y311	R305-T308 WeakPolarHBondContact O-CB 2.98Å; R305-T308 PolarHBondContact O-N 3.02Å; A306-T308 VanDerWaalsContact C-N 3.27Å; A306-T308 PolarHBondContact O-N 3.46Å; T308-H310 VanDerWaalsContact C-N 3.35Å; T308-H310 PolarHBondContact O-N 3.25Å; T308-Y311 HydrophobicContact CG2-CD2 4.4Å; T308-Y311 VanDerWaalsContact O-CB 3.27Å; T308-Y311 WeakPolarHBondContact O-CB 3.32Å; T308-Y311 PolarHBondContact O-N 3.28Å; T308-Y311 VanDerWaalsContact O-N 3.12Å
309	L	95.6	Very high	98.2	Very high	46 Å²	46	47.6 Å²	47.6	24%	0.241	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.6	-166.2	-61.8	-172	0	0	0	115.4	P416 H417 Y452	L309-P416 HydrophobicContact CD1-CG 3.96Å; L309-H417 HydrophobicContact CD1-CB 4.26Å; L309-Y452 HydrophobicContact CD2-CD1 3.99Å; L309-Y452 HydrophobicContact CD2-CD2 3.9Å; L309-Y452 HydrophobicContact CD2-CE1 3.56Å; L309-Y452 HydrophobicContact CD2-CE2 3.52Å; L309-Y452 HydrophobicContact CD2-CG 4.14Å
310	H	96.6	Very high	98.2	Very high	164 Å²	164	51.9 Å²	51.9	76%	0.759	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	42.8	178.6	-61.4	164.5	0	0	0	111.3	T308 I312	T308-H310 VanDerWaalsContact C-N 3.35Å; T308-H310 PolarHBondContact O-N 3.25Å; H310-I312 PolarHBondContact O-N 3.22Å
311	Y	98.3	Very high	98.1	Very high	24 Å²	24	53.4 Å²	53.4	9%	0.094	28%	0.278	C	S	.	.			trans	-70.2	98.5	177	-176.9	-91.7	0	0	0	110.8	E275 V299 V300 A301 R305 T308 N313 N314 Q316	E275-Y311 VanDerWaalsContact OE2-CE1 3.31Å; E275-Y311 WeakPolarHBondContact OE2-CE1 3.3Å; E275-Y311 PolarHBondContact OE2-OH 3.37Å; V299-Y311 VanDerWaalsContact CA-O 3.32Å; V299-Y311 WeakPolarHBondContact CA-O 3.31Å; V299-Y311 WeakPolarHBondContact CG1-O 3.47Å; V300-Y311 WeakPolarHBondContact O-CE1 3.5Å; A301-Y311 HydrophobicContact CB-CD1 3.75Å; A301-Y311 HydrophobicContact CB-CG 4.15Å; R305-Y311 HydrophobicContact CB-CD2 4.24Å; R305-Y311 HydrophobicContact CB-CE2 4.18Å; R305-Y311 HydrophobicContact CG-CE2 4.3Å; T308-Y311 HydrophobicContact CG2-CD2 4.4Å; T308-Y311 VanDerWaalsContact O-CB 3.27Å; T308-Y311 WeakPolarHBondContact O-CB 3.32Å; T308-Y311 PolarHBondContact O-N 3.28Å; T308-Y311 VanDerWaalsContact O-N 3.12Å; Y311-N313 HydrophobicContact CE2-CB 4.18Å; Y311-N314 PolarHBondContact O-OD1 3.43Å; Y311-Q316 WeakPolarHBondContact OH-CG 3.32Å
312	I	97.4	Very high	98.1	Very high	93 Å²	93	55.9 Å²	55.9	48%	0.477	29%	0.29	S	S	.	.			trans	-112.2	4	-178.2	61.6	169.4	0	0	0	113.3	P297 V299 H310 N314	P297-I312 HydrophobicContact CB-CG2 4.2Å; V299-I312 HydrophobicContact CG2-CG2 4.42Å; H310-I312 PolarHBondContact O-N 3.22Å; I312-N314 VanDerWaalsContact C-N 3.35Å
313	N	98.1	Very high	98.1	Very high	108 Å²	108	56.1 Å²	56.1	58%	0.578	29%	0.291	S	S	*	.			trans	-68.4	-37.1	-179.6	-74.2	53.5	0	0	0	111.5	Y311 N315	Y311-N313 HydrophobicContact CE2-CB 4.18Å; N313-N315 VanDerWaalsContact C-N 3.25Å; N313-N315 WeakPolarHBondContact O-CB 3.47Å; N313-N315 PolarHBondContact O-N 2.64Å; N313-N315 VanDerWaalsContact O-N 3.13Å
314	N	98.1	Very high	98.1	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	29%	0.287	C	S	.	.			trans	45.8	46.3	171.2	-54.7	-20.8	0	0	0	113.1	E275 S276 F279 P298 V300 Y311 I312	E275-N314 HydrophobicContact CB-CB 4.33Å; S276-N314 WeakPolarHBondContact CA-O 3.33Å; S276-N314 WeakPolarHBondContact CB-O 3.2Å; S276-N314 PolarHBondContact N-O 3.17Å; F279-N314 HydrophobicContact CD1-CB 4.17Å; F279-N314 WeakPolarHBondContact CD1-ND2 3.47Å; P298-N314 PolarHBondContact O-ND2 3.2Å; V300-N314 HydrophobicContact CB-CB 4.31Å; V300-N314 PolarHBondContact N-OD1 3.37Å; V300-N314 PolarHBondContact O-OD1 2.95Å; Y311-N314 PolarHBondContact O-OD1 3.43Å; I312-N314 VanDerWaalsContact C-N 3.35Å
315	N	98.4	Very high	98.1	Very high	88 Å²	88	53.9 Å²	53.9	47%	0.471	28%	0.277	S	S	.	.			trans	-135.3	16.2	-166.8	71	6.3	0	0	0	114	E275 N313	E275-N315 PolarHBondContact OE2-N 3.05Å; E275-N315 VanDerWaalsContact OE2-N 3.12Å; N313-N315 VanDerWaalsContact C-N 3.25Å; N313-N315 WeakPolarHBondContact O-CB 3.47Å; N313-N315 PolarHBondContact O-N 2.64Å; N313-N315 VanDerWaalsContact O-N 3.13Å
316	Q	98.6	Very high	98.1	Very high	93 Å²	93	51.3 Å²	51.3	44%	0.435	27%	0.267	S	S	.	.	S	Bend	trans	-110	162.3	175.5	-60.8	-60.3	-47.1	0	0	111.4	E275 Y311	E275-Q316 VanDerWaalsContact CG-O 3.28Å; E275-Q316 WeakPolarHBondContact CG-O 3.35Å; E275-Q316 PolarHBondContact N-O 2.74Å; E275-Q316 WeakPolarHBondContact OE2-CB 3.39Å; E275-Q316 PolarHBondContact OE2-N 2.76Å; Y311-Q316 WeakPolarHBondContact OH-CG 3.32Å
317	I	98.6	Very high	98.1	Very high	72 Å²	72	52.1 Å²	52.1	37%	0.369	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.2	170.5	-57.3	168.6	0	0	0	108	D272 D274 R305 K319	D272-I317 HydrophobicContact CB-CG2 3.96Å; D274-I317 WeakPolarHBondContact OD1-CG1 3.33Å; R305-I317 PolarHBondContact NH2-O 2.84Å; I317-K319 HydrophobicContact CG2-CD 4Å
318	V	98.5	Very high	98.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.4	163.5	-168.2	0	0	0	0	107.4	D272 V273 E275 E322 V324 V345	D272-V318 WeakPolarHBondContact CA-O 3.47Å; V273-V318 HydrophobicContact CG1-CB 4.14Å; V273-V318 HydrophobicContact CG1-CG2 4.42Å; V273-V318 PolarHBondContact N-O 3.27Å; V273-V318 PolarHBondContact O-N 2.81Å; E275-V318 HydrophobicContact CG-CG2 3.61Å; V318-E322 HydrophobicContact CG1-CB 3.95Å; V318-V324 HydrophobicContact CG1-CB 4.3Å; V318-V324 HydrophobicContact CG2-CG2 4.44Å; V318-V345 HydrophobicContact CB-CG2 4.1Å; V318-V345 HydrophobicContact CG1-CB 3.84Å; V318-V345 HydrophobicContact CG1-CG1 4.08Å; V318-V345 HydrophobicContact CG1-CG2 3.86Å
319	K	98.4	Very high	98.2	Very high	90 Å²	90	47.3 Å²	47.3	39%	0.391	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-83.7	150.2	-175.7	-64.2	-55.6	-170.1	-174.1	0	112.2	D272 I317 G321 E322 V345	D272-K319 WeakPolarHBondContact OD1-CA 3.29Å; D272-K319 VanDerWaalsContact OD2-CD 3.28Å; D272-K319 WeakPolarHBondContact OD2-CD 3.42Å; D272-K319 IonicContact OD2-NZ 2.84Å; D272-K319 PolarHBondContact OD2-NZ 3.21Å; I317-K319 HydrophobicContact CG2-CD 4Å; K319-G321 PolarHBondContact O-N 3.41Å; K319-E322 HydrophobicContact CB-CG 4Å; K319-E322 PolarHBondContact N-OE2 3.14Å; K319-E322 VanDerWaalsContact O-CB 3.27Å; K319-E322 WeakPolarHBondContact O-CB 3.23Å; K319-E322 PolarHBondContact O-N 3.17Å; K319-V345 WeakPolarHBondContact O-CG1 3.33Å
320	D	97.7	Very high	98.3	Very high	99 Å²	99	45.1 Å²	45.1	53%	0.529	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	133	168.7	-179.6	42.8	0	0	0	111	D272 E322 N346	D272-D320 PolarHBondContact OD1-N 2.95Å; D320-E322 VanDerWaalsContact C-N 3.32Å; D320-E322 PolarHBondContact O-N 2.82Å; D320-N346 WeakPolarHBondContact OD1-CB 3.46Å; D320-N346 PolarHBondContact OD1-ND2 3.09Å
321	G	96.5	Very high	98.4	Very high	33 Å²	33	38.3 Å²	38.3	34%	0.34	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-7.5	-174.6	0	0	0	0	0	115.7	K319 N346 Q353	K319-G321 PolarHBondContact O-N 3.41Å; G321-N346 PolarHBondContact N-ND2 3.14Å; G321-Q353 PolarHBondContact O-NE2 3.37Å
322	E	98.6	Very high	98.4	Very high	52 Å²	52	39.3 Å²	39.3	24%	0.243	20%	0.204	C	C	.	.			trans	-81.1	155.2	171.8	-65.9	-174	140.5	0	0	112.3	V318 K319 D320 V345	V318-E322 HydrophobicContact CG1-CB 3.95Å; K319-E322 HydrophobicContact CB-CG 4Å; K319-E322 PolarHBondContact N-OE2 3.14Å; K319-E322 VanDerWaalsContact O-CB 3.27Å; K319-E322 WeakPolarHBondContact O-CB 3.23Å; K319-E322 PolarHBondContact O-N 3.17Å; D320-E322 VanDerWaalsContact C-N 3.32Å; D320-E322 PolarHBondContact O-N 2.82Å; E322-V345 PolarHBondContact O-N 3.27Å
323	L	98.8	Very high	98.4	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	151.5	162.3	-64	179.7	0	0	0	109.9	G302 G303 T342 W343 P344 F349 Q353 L467 V469	G302-L323 CarbonylContact C-O 3.04Å; G302-L323 WeakPolarHBondContact CA-O 3.13Å; G303-L323 PolarHBondContact N-O 3.41Å; L323-T342 HydrophobicContact CB-CG2 3.91Å; L323-T342 HydrophobicContact CD1-CG2 3.92Å; L323-T342 HydrophobicContact CG-CG2 4.35Å; L323-W343 CarbonylContact C-O 3.56Å; L323-W343 WeakPolarHBondContact CA-O 3.49Å; L323-P344 HydrophobicContact CD2-CB 4.01Å; L323-F349 HydrophobicContact CD2-CD1 4.18Å; L323-F349 HydrophobicContact CD2-CE1 4.09Å; L323-Q353 HydrophobicContact CD1-CB 4.2Å; L323-Q353 HydrophobicContact CD1-CG 3.96Å; L323-Q353 HydrophobicContact CD2-CB 4.09Å; L323-Q353 HydrophobicContact CD2-CG 3.98Å; L323-Q353 HydrophobicContact CG-CB 4.34Å; L323-Q353 HydrophobicContact CG-CG 3.83Å; L323-L467 HydrophobicContact CD1-CD2 4.22Å; L323-V469 HydrophobicContact CD1-CG2 4Å
324	V	98.9	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.1	160.6	59.3	0	0	0	0	109.2	L278 V300 A301 V318 T342 W343	L278-V324 HydrophobicContact CD1-CB 4.4Å; L278-V324 HydrophobicContact CD1-CG1 4.13Å; L278-V324 HydrophobicContact CD1-CG2 3.94Å; V300-V324 HydrophobicContact CG1-CG2 3.99Å; A301-V324 WeakPolarHBondContact O-CA 3.23Å; V318-V324 HydrophobicContact CG1-CB 4.3Å; V318-V324 HydrophobicContact CG2-CG2 4.44Å; V324-T342 CarbonylContact O-C 3.39Å; V324-T342 VanDerWaalsContact O-CA 3.23Å; V324-T342 WeakPolarHBondContact O-CA 3.4Å; V324-T342 WeakPolarHBondContact O-CG2 3.36Å; V324-W343 HydrophobicContact CG1-CD2 3.61Å; V324-W343 HydrophobicContact CG1-CE3 4.15Å; V324-W343 HydrophobicContact CG1-CG 4.11Å; V324-W343 HydrophobicContact CG1-CH2 3.99Å; V324-W343 HydrophobicContact CG1-CZ2 3.42Å; V324-W343 VanDerWaalsContact CG1-CZ2 3.42Å; V324-W343 HydrophobicContact CG1-CZ3 4.31Å; V324-W343 PolarHBondContact N-O 3.26Å; V324-W343 PolarHBondContact O-N 3.4Å
325	L	98.9	Very high	98.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.7	168	-176	161.5	0	0	0	107.4	V299 A301 A306 D327 T340 T342 Y452 R470	V299-L325 HydrophobicContact CG1-CD2 4.07Å; A301-L325 PolarHBondContact N-O 3.42Å; A301-L325 PolarHBondContact O-N 3.15Å; A306-L325 HydrophobicContact CB-CB 3.84Å; A306-L325 HydrophobicContact CB-CD1 4.22Å; L325-D327 HydrophobicContact CD2-CB 4.3Å; L325-T340 HydrophobicContact CD2-CG2 3.75Å; L325-T340 HydrophobicContact CG-CG2 3.96Å; L325-T342 HydrophobicContact CB-CG2 4.42Å; L325-Y452 HydrophobicContact CD1-CE1 4.17Å; L325-R470 HydrophobicContact CD1-CB 3.86Å
326	L	98.9	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.4	170.4	-167.3	157.8	0	0	0	109.7	F262 T265 F282 V299 V300 T340 R341 W343	F262-L326 HydrophobicContact CE1-CB 4.03Å; F262-L326 HydrophobicContact CE1-CD2 3.56Å; F262-L326 HydrophobicContact CE1-CG 4.3Å; F262-L326 WeakPolarHBondContact CE1-O 3.4Å; F262-L326 HydrophobicContact CE2-CD2 4.25Å; F262-L326 HydrophobicContact CZ-CD2 3.39Å; F262-L326 WeakPolarHBondContact CZ-O 3.48Å; T265-L326 HydrophobicContact CG2-CD1 4.1Å; F282-L326 HydrophobicContact CB-CD1 4.17Å; F282-L326 HydrophobicContact CD1-CD2 4.25Å; F282-L326 HydrophobicContact CD2-CD1 4.41Å; F282-L326 HydrophobicContact CD2-CD2 4.01Å; F282-L326 HydrophobicContact CE1-CD2 4.27Å; F282-L326 HydrophobicContact CE2-CD2 4.02Å; F282-L326 HydrophobicContact CG-CD1 4.26Å; F282-L326 HydrophobicContact CG-CD2 4.11Å; F282-L326 HydrophobicContact CZ-CD2 4.14Å; V299-L326 CarbonylContact O-C 3.57Å; V299-L326 WeakPolarHBondContact O-CA 3.14Å; V300-L326 HydrophobicContact CG1-CD1 4.48Å; V300-L326 HydrophobicContact CG2-CD1 4.03Å; V300-L326 HydrophobicContact CG2-CG 4.06Å; L326-T340 CarbonylContact O-C 3.54Å; L326-T340 WeakPolarHBondContact O-CA 3.49Å; L326-R341 PolarHBondContact N-O 3.11Å; L326-R341 PolarHBondContact O-N 2.84Å; L326-W343 HydrophobicContact CB-CH2 3.42Å; L326-W343 VanDerWaalsContact CB-CH2 3.42Å; L326-W343 HydrophobicContact CB-CZ3 3.5Å; L326-W343 VanDerWaalsContact CB-CZ3 3.5Å; L326-W343 HydrophobicContact CD1-CH2 3.86Å; L326-W343 HydrophobicContact CG-CH2 4.26Å
327	D	98.9	Very high	98.4	Very high	19 Å²	19	23.2 Å²	23.2	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.7	169.6	-176.4	-14.4	0	0	0	107.8	Y296 P298 V299 L325 T340 R470	Y296-D327 VanDerWaalsContact CE2-OD1 3.24Å; Y296-D327 WeakPolarHBondContact CE2-OD1 3.33Å; Y296-D327 VanDerWaalsContact CZ-OD1 3.28Å; Y296-D327 PolarHBondContact OH-OD1 3.03Å; P298-D327 CarbonylContact C-O 3.58Å; P298-D327 WeakPolarHBondContact CA-O 3.16Å; P298-D327 WeakPolarHBondContact CB-O 3.49Å; V299-D327 HydrophobicContact CB-CB 3.94Å; V299-D327 HydrophobicContact CG2-CB 4.39Å; V299-D327 PolarHBondContact N-O 2.86Å; V299-D327 PolarHBondContact O-N 3.45Å; L325-D327 HydrophobicContact CD2-CB 4.3Å; D327-T340 HydrophobicContact CB-CG2 4.03Å; D327-T340 VanDerWaalsContact CB-OG1 3.28Å; D327-T340 WeakPolarHBondContact CB-OG1 3.36Å; D327-T340 PolarHBondContact OD1-OG1 3.36Å; D327-T340 PolarHBondContact OD2-OG1 3.07Å; D327-R470 VanDerWaalsContact CB-NH2 3.34Å; D327-R470 IonicContact OD2-CZ 3.55Å; D327-R470 IonicContact OD2-NE 3.71Å; D327-R470 IonicContact OD2-NH2 3.59Å; D327-R470 PolarHBondContact OD2-NH2 2.91Å
328	G	98.8	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.			trans	-163.6	145.1	-175.4	0	0	0	0	0	112.8	T258 F282 Y296 I339	T258-G328 VanDerWaalsContact CG2-O 3.31Å; T258-G328 WeakPolarHBondContact CG2-O 3.49Å; F282-G328 VanDerWaalsContact CZ-C 3.46Å; F282-G328 WeakPolarHBondContact CZ-O 3.36Å; Y296-G328 WeakPolarHBondContact OH-CA 3.43Å; Y296-G328 PolarHBondContact OH-N 2.84Å; Y296-G328 VanDerWaalsContact OH-N 3.16Å; G328-I339 PolarHBondContact N-O 2.92Å; G328-I339 VanDerWaalsContact O-O 3.07Å
329	G	98.8	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.			trans	-143.8	158.4	-178.7	0	0	0	0	0	112	L294 A295 Y296 S337	L294-G329 WeakPolarHBondContact CA-O 3.44Å; A295-G329 PolarHBondContact N-O 2.92Å; Y296-G329 PolarHBondContact OH-N 3.48Å; G329-S337 VanDerWaalsContact CA-O 3.26Å; G329-S337 WeakPolarHBondContact CA-O 3.28Å; G329-S337 WeakPolarHBondContact CA-OG 3.4Å
330	C	98.8	Very high	98.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	158.2	175.9	80.9	0	0	0	0	112	T258 N286 A291 F293 V336 S337	T258-C330 PolarHBondContact OG1-N 2.9Å; T258-C330 PolarHBondContact OG1-SG 2.97Å; N286-C330 HydrophobicContact CB-CB 4.08Å; N286-C330 WeakPolarHBondContact OD1-CB 3.26Å; A291-C330 HydrophobicContact CB-CB 3.59Å; F293-C330 WeakPolarHBondContact O-CA 3.37Å; C330-V336 CarbonylContact O-C 3.4Å; C330-V336 VanDerWaalsContact O-CA 3.25Å; C330-V336 WeakPolarHBondContact O-CA 3.36Å; C330-S337 PolarHBondContact N-OG 3.26Å; C330-S337 PolarHBondContact O-N 2.86Å
331	E	98.8	Very high	98.6	Very high	20 Å²	20	11.1 Å²	11.1	9%	0.093	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.1	163.8	-174.4	-178.7	115.3	0	0	109.6	H122 N292 F293 Y335 V336	H122-E331 IonicContact CD2-OE1 3.63Å; H122-E331 IonicContact CD2-OE2 3.58Å; H122-E331 PolarHBondContact CD2-OE2 2.9Å; H122-E331 IonicContact CE1-OE2 2.69Å; H122-E331 IonicContact NE2-OE1 2.66Å; H122-E331 IonicContact NE2-OE2 3.85Å; H122-E331 PolarHBondContact NE2-OE2 2.9Å; N292-E331 PolarHBondContact N-O 3.48Å; F293-E331 PolarHBondContact O-N 3.5Å; E331-Y335 CarbonylContact C-O 3.54Å; E331-Y335 WeakPolarHBondContact CA-O 3.3Å; E331-V336 HydrophobicContact CB-CG1 4.11Å; E331-V336 HydrophobicContact CG-CG1 4.17Å
332	Y	98.6	Very high	98.7	Very high	46 Å²	46	9.5 Å²	9.5	18%	0.18	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	106.6	174.9	-172.4	-106.4	0	0	0	110.3	L250 E253 I257 G290 G334 Y335	L250-Y332 HydrophobicContact CD2-CD1 4.11Å; L250-Y332 HydrophobicContact CD2-CE1 4Å; E253-Y332 HydrophobicContact CB-CD1 3.87Å; E253-Y332 HydrophobicContact CB-CE1 3.74Å; E253-Y332 HydrophobicContact CG-CD1 3.81Å; E253-Y332 HydrophobicContact CG-CE1 3.38Å; E253-Y332 HydrophobicContact CG-CE2 4.25Å; E253-Y332 HydrophobicContact CG-CG 4.38Å; I257-Y332 HydrophobicContact CD1-CD2 3.57Å; I257-Y332 HydrophobicContact CD1-CE2 3.9Å; I257-Y332 HydrophobicContact CD1-CG 4.09Å; G290-Y332 WeakPolarHBondContact O-CD2 3.47Å; G290-Y332 WeakPolarHBondContact O-CE2 3.48Å; Y332-G334 VanDerWaalsContact C-N 3.29Å; Y332-G334 PolarHBondContact O-N 3.36Å; Y332-Y335 PolarHBondContact N-O 3.25Å; Y332-Y335 PolarHBondContact O-N 3.43Å; Y332-Y335 VanDerWaalsContact O-N 3.16Å
333	F	97.1	Very high	98.7	Very high	43 Å²	43	7 Å²	7	19%	0.189	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	47.1	-177.8	-58.9	-49.3	0	0	0	114.2	L59 P67 L250 N292	L59-F333 HydrophobicContact CD2-CZ 4.39Å; P67-F333 HydrophobicContact CB-CB 4.48Å; P67-F333 HydrophobicContact CB-CD1 4.35Å; P67-F333 HydrophobicContact CB-CD2 3.45Å; P67-F333 VanDerWaalsContact CB-CD2 3.45Å; P67-F333 HydrophobicContact CB-CE1 4.49Å; P67-F333 HydrophobicContact CB-CE2 3.59Å; P67-F333 HydrophobicContact CB-CG 3.85Å; P67-F333 HydrophobicContact CB-CZ 4.14Å; P67-F333 HydrophobicContact CG-CD1 3.72Å; P67-F333 HydrophobicContact CG-CD2 3.74Å; P67-F333 HydrophobicContact CG-CE1 3.73Å; P67-F333 HydrophobicContact CG-CE2 3.71Å; P67-F333 HydrophobicContact CG-CG 3.74Å; P67-F333 HydrophobicContact CG-CZ 3.72Å; L250-F333 HydrophobicContact CD2-CB 4.31Å; L250-F333 HydrophobicContact CD2-CD2 4.35Å; N292-F333 WeakPolarHBondContact OD1-CA 3.38Å; N292-F333 PolarHBondContact OD1-N 3.36Å
334	G	96.8	Very high	98.7	Very high	3 Å²	3	6.8 Å²	6.8	3%	0.031	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	5.9	175.6	0	0	0	0	0	115.1	Y332 M425	Y332-G334 VanDerWaalsContact C-N 3.29Å; Y332-G334 PolarHBondContact O-N 3.36Å; G334-M425 VanDerWaalsContact O-CA 3.23Å; G334-M425 WeakPolarHBondContact O-CA 3.41Å; G334-M425 VanDerWaalsContact O-CB 3.32Å; G334-M425 WeakPolarHBondContact O-CB 3.22Å; G334-M425 WeakPolarHBondContact O-CG 3.43Å
335	Y	98.8	Very high	98.6	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.008	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.7	171.3	-68.6	-95.1	0	0	0	110.3	L69 R77 E247 L250 M251 E331 Y332 G424 M425	L69-Y335 HydrophobicContact CD1-CE2 4.03Å; R77-Y335 PolarHBondContact NH2-OH 3.45Å; E247-Y335 HydrophobicContact CB-CD1 4.49Å; E247-Y335 HydrophobicContact CB-CE1 3.69Å; E247-Y335 VanDerWaalsContact CD-OH 3.24Å; E247-Y335 HydrophobicContact CG-CE1 3.95Å; E247-Y335 WeakPolarHBondContact CG-OH 3.03Å; E247-Y335 WeakPolarHBondContact OE1-CE1 3.42Å; E247-Y335 PolarHBondContact OE1-OH 3.05Å; L250-Y335 HydrophobicContact CB-CD2 3.85Å; L250-Y335 HydrophobicContact CB-CG 4.12Å; L250-Y335 HydrophobicContact CD1-CD2 3.51Å; L250-Y335 HydrophobicContact CD1-CE2 3.56Å; L250-Y335 HydrophobicContact CG-CD2 4.32Å; M251-Y335 HydrophobicContact CG-CD1 3.73Å; M251-Y335 HydrophobicContact CG-CG 4.08Å; M251-Y335 HydrophobicContact SD-CD1 4.12Å; E331-Y335 CarbonylContact C-O 3.54Å; E331-Y335 WeakPolarHBondContact CA-O 3.3Å; Y332-Y335 PolarHBondContact N-O 3.25Å; Y332-Y335 PolarHBondContact O-N 3.43Å; Y332-Y335 VanDerWaalsContact O-N 3.16Å; Y335-G424 WeakPolarHBondContact CA-O 3.49Å; Y335-M425 HydrophobicContact CD1-CG 4.08Å; Y335-M425 HydrophobicContact CE1-CG 3.72Å; Y335-M425 HydrophobicContact CE2-CG 4.4Å
336	V	98.9	Very high	98.5	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.018	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	157.8	-172.8	-58.9	0	0	0	0	112.7	A295 C330 E331 L423 G424 D426 V427	A295-V336 HydrophobicContact CB-CB 3.72Å; A295-V336 HydrophobicContact CB-CG1 3.56Å; C330-V336 CarbonylContact O-C 3.4Å; C330-V336 VanDerWaalsContact O-CA 3.25Å; C330-V336 WeakPolarHBondContact O-CA 3.36Å; E331-V336 HydrophobicContact CB-CG1 4.11Å; E331-V336 HydrophobicContact CG-CG1 4.17Å; V336-L423 HydrophobicContact CG2-CD1 3.62Å; V336-L423 HydrophobicContact CG2-CG 4.24Å; V336-G424 WeakPolarHBondContact CG2-O 3.35Å; V336-G424 PolarHBondContact N-O 3.05Å; V336-D426 WeakPolarHBondContact CG2-O 3.37Å; V336-V427 HydrophobicContact CG2-CG2 4.2Å
337	S	98.9	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.			trans	-108.7	160.2	161	66.6	0	0	0	0	110.3	T258 G329 C330 D474	T258-S337 WeakPolarHBondContact CB-OG 3.35Å; T258-S337 PolarHBondContact OG1-OG 3.31Å; G329-S337 VanDerWaalsContact CA-O 3.26Å; G329-S337 WeakPolarHBondContact CA-O 3.28Å; G329-S337 WeakPolarHBondContact CA-OG 3.4Å; C330-S337 PolarHBondContact N-OG 3.26Å; C330-S337 PolarHBondContact O-N 2.86Å; S337-D474 VanDerWaalsContact CA-OD2 3.27Å; S337-D474 WeakPolarHBondContact CA-OD2 3.36Å; S337-D474 WeakPolarHBondContact CB-OD2 3.26Å
338	D	98.9	Very high	98.3	Very high	6 Å²	6	16 Å²	16	3%	0.032	8%	0.078	C	C	.	.			trans	-142.4	109.6	174.6	-165.6	-12.5	0	0	0	109.6	Y296 H421 L423 V427 T446 D474	Y296-D338 HydrophobicContact CE1-CB 4.47Å; Y296-D338 PolarHBondContact OH-OD1 2.7Å; D338-H421 IonicContact OD2-CE1 3.95Å; D338-H421 PolarHBondContact OD2-CE1 3.42Å; D338-H421 VanDerWaalsContact OD2-CE1 3.27Å; D338-H421 IonicContact OD2-NE2 2.73Å; D338-H421 PolarHBondContact OD2-NE2 2.96Å; D338-L423 HydrophobicContact CB-CD1 3.9Å; D338-L423 HydrophobicContact CB-CD2 4.35Å; D338-V427 WeakPolarHBondContact OD2-CG1 3.48Å; D338-T446 HydrophobicContact CB-CG2 3.8Å; D338-D474 PolarHBondContact N-OD1 3.11Å; D338-D474 PolarHBondContact N-OD2 3.02Å
339	I	98.9	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.			trans	-138.7	125.7	-171	-55.1	179.3	0	0	0	108.9	T258 F262 G328 R341 A490	T258-I339 HydrophobicContact CG2-CB 4.16Å; T258-I339 HydrophobicContact CG2-CD1 3.65Å; T258-I339 HydrophobicContact CG2-CG1 4.07Å; F262-I339 HydrophobicContact CD2-CB 4.27Å; F262-I339 HydrophobicContact CD2-CG2 3.87Å; F262-I339 HydrophobicContact CE2-CB 3.64Å; F262-I339 HydrophobicContact CE2-CG2 3.53Å; F262-I339 WeakPolarHBondContact CE2-O 3.48Å; F262-I339 HydrophobicContact CZ-CB 4.35Å; F262-I339 HydrophobicContact CZ-CG2 4.09Å; F262-I339 WeakPolarHBondContact CZ-O 3.36Å; G328-I339 PolarHBondContact N-O 2.92Å; G328-I339 VanDerWaalsContact O-O 3.07Å; I339-R341 HydrophobicContact CG2-CG 4.44Å; I339-A490 HydrophobicContact CG2-CB 4.17Å
340	T	98.9	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133	168	-55.8	0	0	0	0	111.3	L325 L326 D327 R470 E472	L325-T340 HydrophobicContact CD2-CG2 3.75Å; L325-T340 HydrophobicContact CG-CG2 3.96Å; L326-T340 CarbonylContact O-C 3.54Å; L326-T340 WeakPolarHBondContact O-CA 3.49Å; D327-T340 HydrophobicContact CB-CG2 4.03Å; D327-T340 VanDerWaalsContact CB-OG1 3.28Å; D327-T340 WeakPolarHBondContact CB-OG1 3.36Å; D327-T340 PolarHBondContact OD1-OG1 3.36Å; D327-T340 PolarHBondContact OD2-OG1 3.07Å; T340-R470 HydrophobicContact CG2-CB 3.79Å; T340-R470 HydrophobicContact CG2-CG 3.87Å; T340-R470 PolarHBondContact OG1-NE 3.26Å; T340-R470 VanDerWaalsContact OG1-NE 3.1Å; T340-E472 WeakPolarHBondContact CB-OE2 3.5Å; T340-E472 PolarHBondContact N-OE2 3.04Å; T340-E472 PolarHBondContact O-N 3.46Å; T340-E472 VanDerWaalsContact O-N 3.11Å; T340-E472 PolarHBondContact OG1-OE2 3.25Å
341	R	98.9	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.9	165.6	-63.8	-65.8	-177.4	-92.6	7.1	110.9	F262 M266 L326 I339 W343 E472 D473 A490 P491	F262-R341 HydrophobicContact CD1-CB 3.69Å; F262-R341 HydrophobicContact CD1-CG 3.64Å; F262-R341 HydrophobicContact CE1-CB 3.54Å; F262-R341 HydrophobicContact CE1-CG 3.75Å; F262-R341 HydrophobicContact CG-CG 4.15Å; F262-R341 HydrophobicContact CZ-CB 4.44Å; F262-R341 HydrophobicContact CZ-CG 4.38Å; M266-R341 HydrophobicContact CE-CB 3.62Å; M266-R341 HydrophobicContact CE-CG 3.86Å; L326-R341 PolarHBondContact N-O 3.11Å; L326-R341 PolarHBondContact O-N 2.84Å; I339-R341 HydrophobicContact CG2-CG 4.44Å; R341-W343 HydrophobicContact CB-CE3 4.15Å; R341-W343 HydrophobicContact CB-CZ3 4.23Å; R341-W343 WeakPolarHBondContact O-CZ3 3.4Å; R341-E472 PolarHBondContact NH1-O 2.66Å; R341-D473 IonicContact CZ-OD1 3.14Å; R341-D473 IonicContact NH1-OD1 3.98Å; R341-D473 IonicContact NH2-OD1 3.47Å; R341-D473 PolarHBondContact NH2-OD1 3.35Å; R341-D473 IonicContact NH2-OD2 3.64Å; R341-A490 PolarHBondContact NE-O 3.35Å; R341-A490 VanDerWaalsContact NH2-CB 3.33Å; R341-A490 PolarHBondContact NH2-O 3.47Å; R341-P491 WeakPolarHBondContact CD-O 3.11Å; R341-P491 PolarHBondContact NE-O 3.45Å
342	T	98.9	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.2	168.7	-50.1	0	0	0	0	109.4	L323 V324 L325 Y357 V469 R470	L323-T342 HydrophobicContact CB-CG2 3.91Å; L323-T342 HydrophobicContact CD1-CG2 3.92Å; L323-T342 HydrophobicContact CG-CG2 4.35Å; V324-T342 CarbonylContact O-C 3.39Å; V324-T342 VanDerWaalsContact O-CA 3.23Å; V324-T342 WeakPolarHBondContact O-CA 3.4Å; V324-T342 WeakPolarHBondContact O-CG2 3.36Å; L325-T342 HydrophobicContact CB-CG2 4.42Å; T342-Y357 WeakPolarHBondContact O-CE2 3.28Å; T342-V469 HydrophobicContact CG2-CG2 4.21Å; T342-R470 PolarHBondContact OG1-N 3.37Å; T342-R470 PolarHBondContact OG1-O 2.96Å
343	W	98.9	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.9	176.9	68.7	96.4	0	0	0	111.9	F262 T265 M266 S269 L278 L323 V324 L326 R341 V497	F262-W343 HydrophobicContact CD1-CZ3 4.23Å; F262-W343 HydrophobicContact CE1-CZ3 4.12Å; T265-W343 HydrophobicContact CG2-CH2 4.34Å; T265-W343 HydrophobicContact CG2-CZ2 4.19Å; M266-W343 HydrophobicContact CE-CD2 4.24Å; M266-W343 HydrophobicContact CE-CE3 3.81Å; M266-W343 HydrophobicContact CE-CZ3 4.38Å; M266-W343 HydrophobicContact CG-CD2 3.85Å; M266-W343 HydrophobicContact CG-CE3 4.18Å; M266-W343 HydrophobicContact CG-CG 4.12Å; M266-W343 HydrophobicContact CG-CZ2 4.45Å; S269-W343 PolarHBondContact OG-NE1 3.38Å; L278-W343 HydrophobicContact CD1-CZ2 4.35Å; L323-W343 CarbonylContact C-O 3.56Å; L323-W343 WeakPolarHBondContact CA-O 3.49Å; V324-W343 HydrophobicContact CG1-CD2 3.61Å; V324-W343 HydrophobicContact CG1-CE3 4.15Å; V324-W343 HydrophobicContact CG1-CG 4.11Å; V324-W343 HydrophobicContact CG1-CH2 3.99Å; V324-W343 HydrophobicContact CG1-CZ2 3.42Å; V324-W343 VanDerWaalsContact CG1-CZ2 3.42Å; V324-W343 HydrophobicContact CG1-CZ3 4.31Å; V324-W343 PolarHBondContact N-O 3.26Å; V324-W343 PolarHBondContact O-N 3.4Å; L326-W343 HydrophobicContact CB-CH2 3.42Å; L326-W343 VanDerWaalsContact CB-CH2 3.42Å; L326-W343 HydrophobicContact CB-CZ3 3.5Å; L326-W343 VanDerWaalsContact CB-CZ3 3.5Å; L326-W343 HydrophobicContact CD1-CH2 3.86Å; L326-W343 HydrophobicContact CG-CH2 4.26Å; R341-W343 HydrophobicContact CB-CE3 4.15Å; R341-W343 HydrophobicContact CB-CZ3 4.23Å; R341-W343 WeakPolarHBondContact O-CZ3 3.4Å; W343-V497 HydrophobicContact CB-CG1 3.39Å
344	P	98.5	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.2	171.8	29.1	-36	0	0	0	109.9	L323 N346 G347 Q348 F349	L323-P344 HydrophobicContact CD2-CB 4.01Å; P344-N346 PolarHBondContact O-N 2.79Å; P344-N346 VanDerWaalsContact O-N 3.11Å; P344-G347 PolarHBondContact O-N 3.01Å; P344-Q348 WeakPolarHBondContact CB-O 3.42Å; P344-Q348 WeakPolarHBondContact CG-O 3.4Å; P344-F349 VanDerWaalsContact CD-CE2 3.43Å; P344-F349 VanDerWaalsContact CD-CZ 3.41Å; P344-F349 HydrophobicContact CG-CD1 4.32Å; P344-F349 HydrophobicContact CG-CD2 3.75Å; P344-F349 HydrophobicContact CG-CE2 3.98Å; P344-F349 HydrophobicContact CG-CG 3.94Å; P344-F349 HydrophobicContact CG-CZ 4.36Å
345	V	97.5	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.9	-171.7	79.1	0	0	0	0	113.1	S269 Q270 G271 V273 V318 K319 E322	S269-V345 CarbonylContact C-O 3.45Å; S269-V345 WeakPolarHBondContact CB-O 3.32Å; S269-V345 VanDerWaalsContact O-O 3.04Å; S269-V345 WeakPolarHBondContact OG-CA 3.31Å; S269-V345 WeakPolarHBondContact OG-CG2 3.39Å; S269-V345 PolarHBondContact OG-O 2.95Å; Q270-V345 PolarHBondContact N-O 3.49Å; G271-V345 WeakPolarHBondContact O-CG1 3.35Å; V273-V345 HydrophobicContact CB-CG2 4.43Å; V273-V345 HydrophobicContact CG1-CG2 3.24Å; V318-V345 HydrophobicContact CB-CG2 4.1Å; V318-V345 HydrophobicContact CG1-CB 3.84Å; V318-V345 HydrophobicContact CG1-CG1 4.08Å; V318-V345 HydrophobicContact CG1-CG2 3.86Å; K319-V345 WeakPolarHBondContact O-CG1 3.33Å; E322-V345 PolarHBondContact O-N 3.27Å
346	N	96.5	Very high	98.4	Very high	60 Å²	60	24.4 Å²	24.4	32%	0.321	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	3.9	176.6	68.2	5.7	0	0	0	114	D320 G321 P344 Q348	D320-N346 WeakPolarHBondContact OD1-CB 3.46Å; D320-N346 PolarHBondContact OD1-ND2 3.09Å; G321-N346 PolarHBondContact N-ND2 3.14Å; P344-N346 PolarHBondContact O-N 2.79Å; P344-N346 VanDerWaalsContact O-N 3.11Å; N346-Q348 PolarHBondContact OD1-N 3.45Å; N346-Q348 PolarHBondContact OD1-O 3.19Å
347	G	97	Very high	98.5	Very high	9 Å²	9	24.2 Å²	24.2	9%	0.093	15%	0.145	C	C	.	.	S	Bend	trans	84.7	3.3	172.7	0	0	0	0	0	116.6	P344 E498 C501	P344-G347 PolarHBondContact O-N 3.01Å; G347-E498 WeakPolarHBondContact O-CG 3.43Å; G347-C501 VanDerWaalsContact CA-CB 3.42Å
348	Q	97.3	Very high	98.4	Very high	143 Å²	143	29 Å²	29	67%	0.668	17%	0.167	S	C	*	.			trans	-132.5	130.1	175.9	-67.8	-178.3	29.6	0	0	111.7	P344 N346	P344-Q348 WeakPolarHBondContact CB-O 3.42Å; P344-Q348 WeakPolarHBondContact CG-O 3.4Å; N346-Q348 PolarHBondContact OD1-N 3.45Å; N346-Q348 PolarHBondContact OD1-O 3.19Å
349	F	98.7	Very high	98.4	Very high	22 Å²	22	28.7 Å²	28.7	10%	0.096	17%	0.165	C	C	.	.			trans	-74.9	133.9	178.5	-73.3	-98.7	0	0	0	109.7	L323 P344 Q353 A354 Y357 V494 V497 E498	L323-F349 HydrophobicContact CD2-CD1 4.18Å; L323-F349 HydrophobicContact CD2-CE1 4.09Å; P344-F349 VanDerWaalsContact CD-CE2 3.43Å; P344-F349 VanDerWaalsContact CD-CZ 3.41Å; P344-F349 HydrophobicContact CG-CD1 4.32Å; P344-F349 HydrophobicContact CG-CD2 3.75Å; P344-F349 HydrophobicContact CG-CE2 3.98Å; P344-F349 HydrophobicContact CG-CG 3.94Å; P344-F349 HydrophobicContact CG-CZ 4.36Å; F349-Q353 HydrophobicContact CB-CB 4.41Å; F349-Q353 HydrophobicContact CD1-CB 3.92Å; F349-A354 HydrophobicContact CB-CB 3.9Å; F349-Y357 HydrophobicContact CE1-CD1 4.28Å; F349-Y357 AromaticContact CE1-CD2 3.71Å; F349-Y357 HydrophobicContact CE1-CD2 3.71Å; F349-Y357 HydrophobicContact CE1-CE2 4.26Å; F349-Y357 AromaticContact CE1-CG 3.7Å; F349-Y357 HydrophobicContact CE1-CG 3.7Å; F349-Y357 HydrophobicContact CZ-CD1 4.28Å; F349-Y357 AromaticContact CZ-CD2 3.99Å; F349-Y357 HydrophobicContact CZ-CD2 3.99Å; F349-Y357 HydrophobicContact CZ-CE1 4.37Å; F349-Y357 HydrophobicContact CZ-CE2 4.09Å; F349-Y357 HydrophobicContact CZ-CG 4.08Å; F349-V494 HydrophobicContact CD2-CG1 3.8Å; F349-V494 HydrophobicContact CE2-CG1 4.26Å; F349-V494 HydrophobicContact CG-CG1 4.41Å; F349-V497 HydrophobicContact CE2-CB 3.97Å; F349-V497 HydrophobicContact CE2-CG1 3.63Å; F349-V497 HydrophobicContact CZ-CB 4.37Å; F349-V497 HydrophobicContact CZ-CG1 3.91Å; F349-E498 HydrophobicContact CD2-CG 3.88Å; F349-E498 HydrophobicContact CE2-CG 4.28Å; F349-E498 PolarHBondContact N-OE1 2.94Å
350	S	98.6	Very high	98.4	Very high	56 Å²	56	28.7 Å²	28.7	39%	0.392	17%	0.165	S	C	.	.			trans	-67.5	162.6	161.5	83.8	0	0	0	0	110.4	A352 Q353 A354	S350-A352 VanDerWaalsContact C-N 3.31Å; S350-A352 PolarHBondContact O-N 2.89Å; S350-Q353 PolarHBondContact O-N 2.81Å; S350-Q353 VanDerWaalsContact O-N 3.16Å; S350-Q353 VanDerWaalsContact OG-CG 3.26Å; S350-Q353 WeakPolarHBondContact OG-CG 3.42Å; S350-Q353 PolarHBondContact OG-N 3.08Å; S350-A354 WeakPolarHBondContact O-CB 3.43Å; S350-A354 PolarHBondContact O-N 3.43Å
351	A	98.4	Very high	98.4	Very high	88 Å²	88	29.1 Å²	29.1	73%	0.727	17%	0.168	S	C	*	.	H	α-helix	trans	-55.5	-45.2	179.2	0	0	0	0	0	112.5	A354 E355	A351-A354 PolarHBondContact O-N 2.89Å; A351-E355 WeakPolarHBondContact O-CB 3.34Å; A351-E355 PolarHBondContact O-N 2.9Å
352	A	98.4	Very high	98.4	Very high	16 Å²	16	33.2 Å²	33.2	13%	0.132	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-38.7	178.5	0	0	0	0	0	112.5	S350 E355 L356 H463 F464	S350-A352 VanDerWaalsContact C-N 3.31Å; S350-A352 PolarHBondContact O-N 2.89Å; A352-E355 PolarHBondContact O-N 3.13Å; A352-L356 PolarHBondContact O-N 3.45Å; A352-L356 VanDerWaalsContact O-N 3.14Å; A352-H463 HydrophobicContact CB-CB 4.05Å; A352-H463 WeakPolarHBondContact CB-O 3.47Å; A352-F464 HydrophobicContact CB-CD1 4.35Å; A352-F464 HydrophobicContact CB-CE1 4.27Å; A352-F464 WeakPolarHBondContact O-CE1 3.47Å
353	Q	98.8	Very high	98.4	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-45.8	176.5	-69.3	166.9	-10	0	0	111.4	G321 L323 F349 S350 E355 Y357 L467	G321-Q353 PolarHBondContact O-NE2 3.37Å; L323-Q353 HydrophobicContact CD1-CB 4.2Å; L323-Q353 HydrophobicContact CD1-CG 3.96Å; L323-Q353 HydrophobicContact CD2-CB 4.09Å; L323-Q353 HydrophobicContact CD2-CG 3.98Å; L323-Q353 HydrophobicContact CG-CB 4.34Å; L323-Q353 HydrophobicContact CG-CG 3.83Å; F349-Q353 HydrophobicContact CB-CB 4.41Å; F349-Q353 HydrophobicContact CD1-CB 3.92Å; S350-Q353 PolarHBondContact O-N 2.81Å; S350-Q353 VanDerWaalsContact O-N 3.16Å; S350-Q353 VanDerWaalsContact OG-CG 3.26Å; S350-Q353 WeakPolarHBondContact OG-CG 3.42Å; S350-Q353 PolarHBondContact OG-N 3.08Å; Q353-E355 VanDerWaalsContact C-N 3.34Å; Q353-E355 PolarHBondContact O-N 2.84Å; Q353-Y357 WeakPolarHBondContact O-CB 3.34Å; Q353-Y357 PolarHBondContact O-N 3.47Å; Q353-L467 HydrophobicContact CG-CD1 4.19Å; Q353-L467 HydrophobicContact CG-CD2 4.06Å
354	A	98.8	Very high	98.4	Very high	20 Å²	20	33.2 Å²	33.2	17%	0.165	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-44.2	177.2	0	0	0	0	0	111.2	F349 S350 A351 Y357 E358	F349-A354 HydrophobicContact CB-CB 3.9Å; S350-A354 WeakPolarHBondContact O-CB 3.43Å; S350-A354 PolarHBondContact O-N 3.43Å; A351-A354 PolarHBondContact O-N 2.89Å; A354-Y357 PolarHBondContact O-N 3.42Å; A354-E358 WeakPolarHBondContact O-CB 3.41Å; A354-E358 WeakPolarHBondContact O-CG 3.07Å; A354-E358 PolarHBondContact O-N 3.49Å
355	E	98.7	Very high	98.5	Very high	77 Å²	77	39.3 Å²	39.3	36%	0.36	21%	0.21	S	C	.	.	H	α-helix	trans	-63.2	-45.5	-178.5	-160.3	-174.5	172.8	0	0	112.5	A351 A352 Q353 A359 L395 F464	A351-E355 WeakPolarHBondContact O-CB 3.34Å; A351-E355 PolarHBondContact O-N 2.9Å; A352-E355 PolarHBondContact O-N 3.13Å; Q353-E355 VanDerWaalsContact C-N 3.34Å; Q353-E355 PolarHBondContact O-N 2.84Å; E355-A359 WeakPolarHBondContact O-CB 3.44Å; E355-A359 PolarHBondContact O-N 2.7Å; E355-L395 HydrophobicContact CB-CD2 4.35Å; E355-L395 HydrophobicContact CG-CD2 3.55Å; E355-F464 HydrophobicContact CB-CE1 4.35Å; E355-F464 HydrophobicContact CB-CZ 4.46Å
356	L	98.8	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-41.8	175.6	-175.8	66.1	0	0	0	111.5	A352 A359 V360 L395 L451 I453 F464 L467 V469	A352-L356 PolarHBondContact O-N 3.45Å; A352-L356 VanDerWaalsContact O-N 3.14Å; L356-A359 WeakPolarHBondContact O-CB 3.43Å; L356-A359 PolarHBondContact O-N 3.02Å; L356-V360 PolarHBondContact O-N 3.03Å; L356-L395 HydrophobicContact CD1-CD1 3.87Å; L356-L451 HydrophobicContact CD1-CB 4.05Å; L356-L451 HydrophobicContact CD1-CD1 3.67Å; L356-I453 HydrophobicContact CD1-CD1 3.9Å; L356-I453 HydrophobicContact CD2-CD1 4.06Å; L356-F464 HydrophobicContact CB-CD1 4.1Å; L356-F464 HydrophobicContact CB-CE1 4.04Å; L356-L467 HydrophobicContact CD2-CB 3.5Å; L356-L467 HydrophobicContact CD2-CD1 4.01Å; L356-L467 HydrophobicContact CD2-CG 4.43Å; L356-V469 HydrophobicContact CD2-CG2 3.98Å; L356-V469 HydrophobicContact CG-CG2 4.16Å
357	Y	98.9	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-47.8	179.9	-176	-89.2	0	0	0	112.2	T342 F349 Q353 A354 A359 V360 L361 V469 I471 K492 V494	T342-Y357 WeakPolarHBondContact O-CE2 3.28Å; F349-Y357 HydrophobicContact CE1-CD1 4.28Å; F349-Y357 AromaticContact CE1-CD2 3.71Å; F349-Y357 HydrophobicContact CE1-CD2 3.71Å; F349-Y357 HydrophobicContact CE1-CE2 4.26Å; F349-Y357 AromaticContact CE1-CG 3.7Å; F349-Y357 HydrophobicContact CE1-CG 3.7Å; F349-Y357 HydrophobicContact CZ-CD1 4.28Å; F349-Y357 AromaticContact CZ-CD2 3.99Å; F349-Y357 HydrophobicContact CZ-CD2 3.99Å; F349-Y357 HydrophobicContact CZ-CE1 4.37Å; F349-Y357 HydrophobicContact CZ-CE2 4.09Å; F349-Y357 HydrophobicContact CZ-CG 4.08Å; Q353-Y357 WeakPolarHBondContact O-CB 3.34Å; Q353-Y357 PolarHBondContact O-N 3.47Å; A354-Y357 PolarHBondContact O-N 3.42Å; Y357-A359 VanDerWaalsContact C-N 3.29Å; Y357-A359 PolarHBondContact O-N 2.98Å; Y357-V360 PolarHBondContact O-N 3.18Å; Y357-L361 HydrophobicContact CE1-CD2 4.33Å; Y357-L361 WeakPolarHBondContact O-CB 3.47Å; Y357-L361 PolarHBondContact O-N 3.49Å; Y357-V469 HydrophobicContact CD2-CG1 3.8Å; Y357-V469 HydrophobicContact CE2-CG1 4.4Å; Y357-I471 HydrophobicContact CD1-CD1 4.43Å; Y357-I471 HydrophobicContact CD2-CD1 4.17Å; Y357-I471 HydrophobicContact CE1-CD1 4.01Å; Y357-I471 HydrophobicContact CE2-CD1 3.71Å; Y357-I471 HydrophobicContact CE2-CG1 4.06Å; Y357-K492 VanDerWaalsContact CE1-O 3.28Å; Y357-K492 WeakPolarHBondContact CE1-O 3.46Å; Y357-K492 WeakPolarHBondContact OH-CA 3.13Å; Y357-K492 PolarHBondContact OH-O 2.95Å; Y357-V494 HydrophobicContact CD1-CG2 3.89Å; Y357-V494 HydrophobicContact CE1-CG2 4.31Å
358	E	98.9	Very high	98.7	Very high	99 Å²	99	38.3 Å²	38.3	46%	0.463	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-35.8	178.2	-74.8	-171.8	163.9	0	0	112.2	A354 L361 E362 V494	A354-E358 WeakPolarHBondContact O-CB 3.41Å; A354-E358 WeakPolarHBondContact O-CG 3.07Å; A354-E358 PolarHBondContact O-N 3.49Å; E358-L361 PolarHBondContact O-N 3.31Å; E358-E362 WeakPolarHBondContact O-CB 3.42Å; E358-E362 PolarHBondContact O-N 3.13Å; E358-V494 HydrophobicContact CG-CG2 3.98Å
359	A	98.9	Very high	98.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-46.6	174	0	0	0	0	0	111.8	E355 L356 Y357 E362 V363 Q391 L395	E355-A359 WeakPolarHBondContact O-CB 3.44Å; E355-A359 PolarHBondContact O-N 2.7Å; L356-A359 WeakPolarHBondContact O-CB 3.43Å; L356-A359 PolarHBondContact O-N 3.02Å; Y357-A359 VanDerWaalsContact C-N 3.29Å; Y357-A359 PolarHBondContact O-N 2.98Å; A359-E362 PolarHBondContact O-N 2.69Å; A359-V363 WeakPolarHBondContact O-CG2 3.41Å; A359-V363 PolarHBondContact O-N 3.46Å; A359-Q391 HydrophobicContact CB-CB 4.07Å; A359-Q391 HydrophobicContact CB-CG 4.07Å; A359-L395 HydrophobicContact CB-CD1 3.94Å; A359-L395 HydrophobicContact CB-CD2 4.43Å; A359-L395 HydrophobicContact CB-CG 4.46Å
360	V	98.9	Very high	98.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-42.2	175.7	178.2	0	0	0	0	111.1	L356 Y357 E362 V363 Q364 P449 L451 V469 I471	L356-V360 PolarHBondContact O-N 3.03Å; Y357-V360 PolarHBondContact O-N 3.18Å; V360-E362 VanDerWaalsContact C-N 3.33Å; V360-E362 PolarHBondContact O-N 3.07Å; V360-V363 PolarHBondContact O-N 2.95Å; V360-Q364 WeakPolarHBondContact O-CB 3.46Å; V360-Q364 PolarHBondContact O-N 3.26Å; V360-P449 HydrophobicContact CG1-CG 4.39Å; V360-P449 VanDerWaalsContact CG1-O 3.32Å; V360-P449 WeakPolarHBondContact CG1-O 3.35Å; V360-L451 HydrophobicContact CG2-CB 3.94Å; V360-L451 HydrophobicContact CG2-CD1 3.9Å; V360-L451 HydrophobicContact CG2-CG 3.88Å; V360-V469 HydrophobicContact CB-CG1 4.04Å; V360-V469 HydrophobicContact CG1-CG1 4.21Å; V360-V469 HydrophobicContact CG2-CB 4.17Å; V360-V469 HydrophobicContact CG2-CG1 4.05Å; V360-I471 HydrophobicContact CB-CD1 4.38Å; V360-I471 HydrophobicContact CG1-CB 4.37Å; V360-I471 HydrophobicContact CG1-CD1 4.15Å; V360-I471 HydrophobicContact CG1-CG1 4.1Å
361	L	98.9	Very high	98.7	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-38.8	178.5	-179.1	62.7	0	0	0	112.5	Y357 E358 Q364 R365 I471 K492	Y357-L361 HydrophobicContact CE1-CD2 4.33Å; Y357-L361 WeakPolarHBondContact O-CB 3.47Å; Y357-L361 PolarHBondContact O-N 3.49Å; E358-L361 PolarHBondContact O-N 3.31Å; L361-Q364 PolarHBondContact O-N 2.95Å; L361-R365 HydrophobicContact CD1-CG 4.44Å; L361-R365 WeakPolarHBondContact O-CB 3.38Å; L361-R365 WeakPolarHBondContact O-CG 3.41Å; L361-R365 PolarHBondContact O-N 3.33Å; L361-I471 HydrophobicContact CB-CD1 3.76Å; L361-I471 HydrophobicContact CD1-CD1 4.15Å; L361-K492 HydrophobicContact CD1-CB 4.37Å; L361-K492 HydrophobicContact CD1-CD 3.97Å; L361-K492 HydrophobicContact CD1-CG 4.03Å; L361-K492 WeakPolarHBondContact CD1-O 3.44Å; L361-K492 VanDerWaalsContact CD2-O 3.3Å; L361-K492 WeakPolarHBondContact CD2-O 3.43Å
362	E	98.9	Very high	98.7	Very high	87 Å²	87	32.4 Å²	32.4	41%	0.407	17%	0.173	S	C	.	.	H	α-helix	trans	-65.1	-44.2	176.4	-169.2	-171.7	147.7	0	0	111.4	E358 A359 V360 Q364 S366 Q391 R394	E358-E362 WeakPolarHBondContact O-CB 3.42Å; E358-E362 PolarHBondContact O-N 3.13Å; A359-E362 PolarHBondContact O-N 2.69Å; V360-E362 VanDerWaalsContact C-N 3.33Å; V360-E362 PolarHBondContact O-N 3.07Å; E362-Q364 VanDerWaalsContact C-N 3.33Å; E362-S366 WeakPolarHBondContact O-CB 3.34Å; E362-S366 PolarHBondContact O-N 3.23Å; E362-S366 PolarHBondContact O-OG 2.95Å; E362-Q391 PolarHBondContact OE1-NE2 2.87Å; E362-Q391 PolarHBondContact OE2-NE2 2.74Å; E362-R394 IonicContact OE2-NH1 3.88Å
363	V	98.9	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-46.3	173.7	176.5	0	0	0	0	110.4	A359 V360 R365 S366 C367 M384 L387 L388 Q391 P449	A359-V363 WeakPolarHBondContact O-CG2 3.41Å; A359-V363 PolarHBondContact O-N 3.46Å; V360-V363 PolarHBondContact O-N 2.95Å; V363-R365 PolarHBondContact O-N 3.11Å; V363-S366 WeakPolarHBondContact O-CB 3.45Å; V363-S366 PolarHBondContact O-N 3.06Å; V363-S366 VanDerWaalsContact O-N 3.17Å; V363-C367 PolarHBondContact O-N 3.3Å; V363-C367 PolarHBondContact O-SG 2.81Å; V363-C367 VanDerWaalsContact O-SG 3.39Å; V363-M384 HydrophobicContact CG1-CB 4.47Å; V363-M384 HydrophobicContact CG1-CG 3.73Å; V363-L387 HydrophobicContact CB-CB 4.33Å; V363-L387 HydrophobicContact CG1-CB 3.95Å; V363-L387 HydrophobicContact CG1-CD1 4.36Å; V363-L387 HydrophobicContact CG2-CB 3.78Å; V363-L388 HydrophobicContact CB-CD2 4.28Å; V363-L388 HydrophobicContact CG1-CD2 4.16Å; V363-L388 HydrophobicContact CG1-CG 4.14Å; V363-L388 HydrophobicContact CG2-CD2 3.8Å; V363-L388 HydrophobicContact CG2-CG 4.26Å; V363-Q391 HydrophobicContact CG2-CG 3.88Å; V363-P449 HydrophobicContact CG1-CB 4Å; V363-P449 HydrophobicContact CG1-CG 4.36Å
364	Q	98.9	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-48.4	-179.3	-163.1	-97.3	1	0	0	112.5	V360 L361 E362 S366 C367 L368 I447 P449 I471 D473	V360-Q364 WeakPolarHBondContact O-CB 3.46Å; V360-Q364 PolarHBondContact O-N 3.26Å; L361-Q364 PolarHBondContact O-N 2.95Å; E362-Q364 VanDerWaalsContact C-N 3.33Å; Q364-S366 VanDerWaalsContact C-N 3.28Å; Q364-S366 PolarHBondContact O-N 2.7Å; Q364-C367 PolarHBondContact O-N 2.82Å; Q364-L368 WeakPolarHBondContact O-CG 3.48Å; Q364-L368 PolarHBondContact O-N 3.3Å; Q364-I447 HydrophobicContact CG-CG2 4.35Å; Q364-P449 HydrophobicContact CB-CG 3.51Å; Q364-P449 HydrophobicContact CG-CG 3.75Å; Q364-I471 HydrophobicContact CG-CB 4.37Å; Q364-I471 HydrophobicContact CG-CG2 4.15Å; Q364-I471 WeakPolarHBondContact CG-O 3.48Å; Q364-D473 PolarHBondContact NE2-OD2 3.08Å
365	R	98.8	Very high	98.6	Very high	128 Å²	128	36.7 Å²	36.7	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-39.4	175.5	-74.8	172	166.4	177.8	-4.9	112.3	L361 V363 L368 S369	L361-R365 HydrophobicContact CD1-CG 4.44Å; L361-R365 WeakPolarHBondContact O-CB 3.38Å; L361-R365 WeakPolarHBondContact O-CG 3.41Å; L361-R365 PolarHBondContact O-N 3.33Å; V363-R365 PolarHBondContact O-N 3.11Å; R365-L368 PolarHBondContact O-N 3.22Å; R365-S369 PolarHBondContact O-N 3.34Å; R365-S369 VanDerWaalsContact O-N 3.12Å
366	S	98.8	Very high	98.6	Very high	36 Å²	36	33.9 Å²	33.9	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-45.8	176.4	-59.1	0	0	0	0	111.2	E362 V363 Q364 L368 S369 L370	E362-S366 WeakPolarHBondContact O-CB 3.34Å; E362-S366 PolarHBondContact O-N 3.23Å; E362-S366 PolarHBondContact O-OG 2.95Å; V363-S366 WeakPolarHBondContact O-CB 3.45Å; V363-S366 PolarHBondContact O-N 3.06Å; V363-S366 VanDerWaalsContact O-N 3.17Å; Q364-S366 VanDerWaalsContact C-N 3.28Å; Q364-S366 PolarHBondContact O-N 2.7Å; S366-L368 PolarHBondContact O-N 3.15Å; S366-S369 PolarHBondContact O-N 3.34Å; S366-S369 PolarHBondContact O-OG 3.21Å; S366-L370 PolarHBondContact O-N 2.85Å
367	C	98.8	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-41.7	175.9	-69.9	0	0	0	0	112.5	V363 Q364 S369 L370 C371 I380 V419 I447	V363-C367 PolarHBondContact O-N 3.3Å; V363-C367 PolarHBondContact O-SG 2.81Å; V363-C367 VanDerWaalsContact O-SG 3.39Å; Q364-C367 PolarHBondContact O-N 2.82Å; C367-S369 VanDerWaalsContact C-N 3.27Å; C367-S369 PolarHBondContact O-N 2.67Å; C367-L370 WeakPolarHBondContact O-CB 3.18Å; C367-L370 PolarHBondContact O-N 3.21Å; C367-L370 VanDerWaalsContact O-N 3.1Å; C367-C371 PolarHBondContact O-SG 2.66Å; C367-C371 VanDerWaalsContact O-SG 3.38Å; C367-I380 HydrophobicContact CB-CG2 3.83Å; C367-V419 HydrophobicContact CB-CG2 4.34Å; C367-I447 HydrophobicContact CB-CG2 3.58Å
368	L	98.8	Very high	98.6	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.063	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-40	174.1	-73	173.3	0	0	0	111.8	Q364 R365 S366 L370 C371 I447 D473 V475 P483 I485	Q364-L368 WeakPolarHBondContact O-CG 3.48Å; Q364-L368 PolarHBondContact O-N 3.3Å; R365-L368 PolarHBondContact O-N 3.22Å; S366-L368 PolarHBondContact O-N 3.15Å; L368-L370 PolarHBondContact O-N 3.27Å; L368-C371 WeakPolarHBondContact O-CB 3.41Å; L368-C371 PolarHBondContact O-N 2.67Å; L368-C371 VanDerWaalsContact O-N 3.16Å; L368-I447 HydrophobicContact CD2-CB 3.97Å; L368-I447 HydrophobicContact CD2-CG1 4.03Å; L368-I447 HydrophobicContact CD2-CG2 4.25Å; L368-I447 HydrophobicContact CG-CG2 4.25Å; L368-D473 HydrophobicContact CD2-CB 4.39Å; L368-V475 HydrophobicContact CD2-CG1 3.36Å; L368-P483 WeakPolarHBondContact O-CG 3.4Å; L368-I485 HydrophobicContact CD1-CD1 4.01Å
369	S	98.4	Very high	98.6	Very high	90 Å²	90	36.1 Å²	36.1	63%	0.629	21%	0.209	S	C	*	.	H	α-helix	trans	-65.3	-20.5	179.3	78.8	0	0	0	0	113.9	R365 S366 C367	R365-S369 PolarHBondContact O-N 3.34Å; R365-S369 VanDerWaalsContact O-N 3.12Å; S366-S369 PolarHBondContact O-N 3.34Å; S366-S369 PolarHBondContact O-OG 3.21Å; C367-S369 VanDerWaalsContact C-N 3.27Å; C367-S369 PolarHBondContact O-N 2.67Å
370	L	98.4	Very high	98.6	Very high	48 Å²	48	36.1 Å²	36.1	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-84.2	-14.8	177.9	-61.2	175.9	0	0	0	113.2	S366 C367 L368 S372 I380	S366-L370 PolarHBondContact O-N 2.85Å; C367-L370 WeakPolarHBondContact O-CB 3.18Å; C367-L370 PolarHBondContact O-N 3.21Å; C367-L370 VanDerWaalsContact O-N 3.1Å; L368-L370 PolarHBondContact O-N 3.27Å; L370-S372 VanDerWaalsContact C-N 3.32Å; L370-S372 PolarHBondContact O-N 2.73Å; L370-S372 PolarHBondContact O-OG 2.82Å; L370-I380 HydrophobicContact CB-CG1 4.06Å
371	C	98.4	Very high	98.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	22%	0.215	C	C	.	.			trans	-70.5	84.7	-175.1	-64.5	0	0	0	0	111.3	C367 L368 I447 V475 I477 P483	C367-C371 PolarHBondContact O-SG 2.66Å; C367-C371 VanDerWaalsContact O-SG 3.38Å; L368-C371 WeakPolarHBondContact O-CB 3.41Å; L368-C371 PolarHBondContact O-N 2.67Å; L368-C371 VanDerWaalsContact O-N 3.16Å; C371-I447 VanDerWaalsContact SG-CD1 3.59Å; C371-V475 HydrophobicContact CB-CG2 4.4Å; C371-I477 HydrophobicContact CB-CD1 3.79Å; C371-P483 HydrophobicContact CB-CB 4.01Å; C371-P483 HydrophobicContact CB-CG 3.94Å
372	S	97.9	Very high	98.6	Very high	44 Å²	44	40.2 Å²	40.2	31%	0.308	23%	0.234	S	C	.	.	S	Bend	trans	-144.2	157.7	-174	59.9	0	0	0	0	111.3	L370 G374 V375	L370-S372 VanDerWaalsContact C-N 3.32Å; L370-S372 PolarHBondContact O-N 2.73Å; L370-S372 PolarHBondContact O-OG 2.82Å; S372-G374 PolarHBondContact O-N 3.24Å; S372-V375 PolarHBondContact O-N 2.7Å; S372-V375 WeakPolarHBondContact OG-CG2 3.33Å
373	P	98.4	Very high	98.5	Very high	56 Å²	56	37.6 Å²	37.6	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	134.9	178.2	-25.7	35.2	0	0	0	112.3	L439 P441 I477 R478	P373-L439 WeakPolarHBondContact CA-O 3.41Å; P373-P441 HydrophobicContact CG-CG 3.98Å; P373-I477 HydrophobicContact CG-CG2 4.02Å; P373-R478 VanDerWaalsContact CD-O 3.31Å; P373-R478 WeakPolarHBondContact CD-O 3.47Å; P373-R478 WeakPolarHBondContact CG-O 3.2Å
374	G	97.6	Very high	98.5	Very high	54 Å²	54	37.6 Å²	37.6	56%	0.557	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.2	-25.1	-179.7	0	0	0	0	0	114.7	S372 L439	S372-G374 PolarHBondContact O-N 3.24Å; G374-L439 PolarHBondContact N-O 2.97Å
375	V	97.9	Very high	98.5	Very high	28 Å²	28	37.7 Å²	37.7	17%	0.17	23%	0.226	C	C	.	.			trans	-78.9	145.2	174.2	178.7	0	0	0	0	109.7	S372 H379 I380 L439	S372-V375 PolarHBondContact O-N 2.7Å; S372-V375 WeakPolarHBondContact OG-CG2 3.33Å; V375-H379 HydrophobicContact CG1-CB 4.16Å; V375-I380 HydrophobicContact CG1-CD1 4.09Å; V375-I380 HydrophobicContact CG1-CG1 3.66Å; V375-L439 WeakPolarHBondContact O-CB 3.19Å; V375-L439 WeakPolarHBondContact O-CD1 3.46Å; V375-L439 WeakPolarHBondContact O-CG 3.38Å; V375-L439 PolarHBondContact O-N 2.96Å
376	S	98.6	Very high	98.5	Very high	19 Å²	19	33.2 Å²	33.2	13%	0.133	22%	0.216	C	C	.	.			trans	-104	159.2	175.5	68.6	0	0	0	0	112.3	D378 H379 I380 R435 S436 Q437	S376-D378 VanDerWaalsContact C-N 3.26Å; S376-D378 PolarHBondContact O-N 3.27Å; S376-H379 WeakPolarHBondContact O-CB 3.44Å; S376-H379 PolarHBondContact O-N 3.15Å; S376-H379 VanDerWaalsContact O-N 3.14Å; S376-H379 WeakPolarHBondContact OG-CB 3.45Å; S376-H379 PolarHBondContact OG-N 2.95Å; S376-I380 WeakPolarHBondContact O-CG1 3.44Å; S376-I380 PolarHBondContact O-N 3.35Å; S376-I380 VanDerWaalsContact O-N 3.09Å; S376-R435 WeakPolarHBondContact CB-O 3.38Å; S376-S436 WeakPolarHBondContact CB-O 3.24Å; S376-Q437 VanDerWaalsContact CB-O 3.31Å; S376-Q437 WeakPolarHBondContact CB-O 3.3Å
377	L	98.5	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-39.4	173.3	-92.9	171.4	0	0	0	111.6	H379 I380 Y381 V419 Y422 R435 I445	L377-H379 VanDerWaalsContact C-N 3.32Å; L377-H379 PolarHBondContact O-N 3.04Å; L377-I380 PolarHBondContact O-N 3.36Å; L377-Y381 WeakPolarHBondContact O-CB 3.38Å; L377-Y381 PolarHBondContact O-N 2.93Å; L377-V419 HydrophobicContact CD2-CG1 4.28Å; L377-Y422 HydrophobicContact CD1-CE1 4.35Å; L377-Y422 HydrophobicContact CD1-CE2 4.34Å; L377-R435 HydrophobicContact CB-CB 3.9Å; L377-R435 HydrophobicContact CB-CG 4.29Å; L377-R435 WeakPolarHBondContact CB-O 3.13Å; L377-R435 HydrophobicContact CD1-CG 4.09Å; L377-R435 PolarHBondContact N-O 3.31Å; L377-I445 HydrophobicContact CD1-CG2 4.04Å; L377-I445 HydrophobicContact CD2-CB 4.39Å; L377-I445 HydrophobicContact CD2-CD1 3.89Å; L377-I445 HydrophobicContact CD2-CG2 4.45Å; L377-I445 HydrophobicContact CG-CD1 4.39Å; L377-I445 HydrophobicContact CG-CG2 4.32Å
378	D	98.6	Very high	98.5	Very high	51 Å²	51	32.3 Å²	32.3	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-32.5	176.9	-71.4	-18.3	0	0	0	113.1	S376 S382 H418 R435 S436	S376-D378 VanDerWaalsContact C-N 3.26Å; S376-D378 PolarHBondContact O-N 3.27Å; D378-S382 WeakPolarHBondContact O-CB 3.27Å; D378-S382 PolarHBondContact O-N 2.9Å; D378-S382 PolarHBondContact O-OG 3.46Å; D378-H418 IonicContact OD1-NE2 3.6Å; D378-H418 PolarHBondContact OD1-NE2 2.89Å; D378-R435 PolarHBondContact N-O 3.4Å; D378-R435 VanDerWaalsContact OD1-CB 3.28Å; D378-R435 WeakPolarHBondContact OD1-CB 3.46Å; D378-S436 WeakPolarHBondContact OD2-CA 3.36Å; D378-S436 WeakPolarHBondContact OD2-CB 3.23Å; D378-S436 PolarHBondContact OD2-N 3.3Å; D378-S436 PolarHBondContact OD2-OG 3.43Å
379	H	98.8	Very high	98.5	Very high	95 Å²	95	31.9 Å²	31.9	44%	0.44	21%	0.207	S	C	.	.	H	α-helix	trans	-67.7	-44.2	173.4	179.9	85.6	0	0	0	110.9	V375 S376 L377 Y381 S382 S383	V375-H379 HydrophobicContact CG1-CB 4.16Å; S376-H379 WeakPolarHBondContact O-CB 3.44Å; S376-H379 PolarHBondContact O-N 3.15Å; S376-H379 VanDerWaalsContact O-N 3.14Å; S376-H379 WeakPolarHBondContact OG-CB 3.45Å; S376-H379 PolarHBondContact OG-N 2.95Å; L377-H379 VanDerWaalsContact C-N 3.32Å; L377-H379 PolarHBondContact O-N 3.04Å; H379-Y381 VanDerWaalsContact C-N 3.31Å; H379-Y381 PolarHBondContact O-N 3.23Å; H379-S382 PolarHBondContact O-N 2.94Å; H379-S383 PolarHBondContact O-N 3.45Å; H379-S383 PolarHBondContact O-OG 2.91Å
380	I	98.8	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-40.4	175.7	-59.4	169.3	0	0	0	110.1	C367 L370 V375 S376 L377 S383 M384 V419 L439 I445 I447	C367-I380 HydrophobicContact CB-CG2 3.83Å; L370-I380 HydrophobicContact CB-CG1 4.06Å; V375-I380 HydrophobicContact CG1-CD1 4.09Å; V375-I380 HydrophobicContact CG1-CG1 3.66Å; S376-I380 WeakPolarHBondContact O-CG1 3.44Å; S376-I380 PolarHBondContact O-N 3.35Å; S376-I380 VanDerWaalsContact O-N 3.09Å; L377-I380 PolarHBondContact O-N 3.36Å; I380-S383 WeakPolarHBondContact O-CB 3.45Å; I380-S383 PolarHBondContact O-N 3.49Å; I380-M384 WeakPolarHBondContact O-CB 3.41Å; I380-M384 PolarHBondContact O-N 3.2Å; I380-V419 HydrophobicContact CB-CG1 4.19Å; I380-V419 HydrophobicContact CG2-CG1 4Å; I380-V419 HydrophobicContact CG2-CG2 3.92Å; I380-L439 HydrophobicContact CD1-CD1 4.05Å; I380-I445 HydrophobicContact CD1-CD1 4.41Å; I380-I447 HydrophobicContact CD1-CD1 4.42Å; I380-I447 HydrophobicContact CG2-CD1 4.02Å
381	Y	98.9	Very high	98.5	Very high	30 Å²	30	32.2 Å²	32.2	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177.5	177.7	-124	0	0	0	112	L377 H379 S383 M384 L385 R412 H417 H418 V419	L377-Y381 WeakPolarHBondContact O-CB 3.38Å; L377-Y381 PolarHBondContact O-N 2.93Å; H379-Y381 VanDerWaalsContact C-N 3.31Å; H379-Y381 PolarHBondContact O-N 3.23Å; Y381-S383 VanDerWaalsContact C-N 3.32Å; Y381-S383 PolarHBondContact O-N 3.31Å; Y381-M384 HydrophobicContact CD2-CE 3.5Å; Y381-M384 VanDerWaalsContact CD2-CE 3.5Å; Y381-M384 HydrophobicContact CE2-CE 3.49Å; Y381-M384 VanDerWaalsContact CE2-CE 3.49Å; Y381-M384 WeakPolarHBondContact O-CB 3.39Å; Y381-M384 PolarHBondContact O-N 2.86Å; Y381-L385 HydrophobicContact CD1-CD1 4.29Å; Y381-L385 HydrophobicContact CD2-CG 4.37Å; Y381-L385 HydrophobicContact CE1-CD1 3.78Å; Y381-L385 HydrophobicContact CE1-CG 4.5Å; Y381-L385 HydrophobicContact CE2-CD1 4.13Å; Y381-L385 HydrophobicContact CE2-CD2 4.02Å; Y381-L385 HydrophobicContact CE2-CG 3.99Å; Y381-L385 WeakPolarHBondContact O-CG 3.31Å; Y381-L385 PolarHBondContact O-N 3.49Å; Y381-R412 PolarHBondContact OH-NH1 2.95Å; Y381-R412 VanDerWaalsContact OH-NH1 3.17Å; Y381-H417 WeakPolarHBondContact CE2-O 3.33Å; Y381-H418 WeakPolarHBondContact CB-NE2 3.31Å; Y381-H418 AromaticContact CD1-CD2 3.82Å; Y381-H418 AromaticContact CD1-NE2 3.76Å; Y381-H418 AromaticContact CD2-CD2 3.99Å; Y381-H418 AromaticContact CG-CD2 3.71Å; Y381-H418 AromaticContact CG-NE2 3.57Å; Y381-V419 HydrophobicContact CD2-CB 4.13Å
382	S	98.6	Very high	98.5	Very high	65 Å²	65	32.1 Å²	32.1	46%	0.455	19%	0.191	S	C	.	.	H	α-helix	trans	-62.7	-40.5	175.8	-60.2	0	0	0	0	111.6	D378 H379 L385 A386	D378-S382 WeakPolarHBondContact O-CB 3.27Å; D378-S382 PolarHBondContact O-N 2.9Å; D378-S382 PolarHBondContact O-OG 3.46Å; H379-S382 PolarHBondContact O-N 2.94Å; S382-L385 PolarHBondContact O-N 3.02Å; S382-A386 PolarHBondContact O-N 3.22Å
383	S	98.7	Very high	98.5	Very high	32 Å²	32	32.6 Å²	32.6	22%	0.224	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-42.3	172.6	-66.8	0	0	0	0	112.3	H379 I380 Y381 A386 L387	H379-S383 PolarHBondContact O-N 3.45Å; H379-S383 PolarHBondContact O-OG 2.91Å; I380-S383 WeakPolarHBondContact O-CB 3.45Å; I380-S383 PolarHBondContact O-N 3.49Å; Y381-S383 VanDerWaalsContact C-N 3.32Å; Y381-S383 PolarHBondContact O-N 3.31Å; S383-A386 PolarHBondContact O-N 3.05Å; S383-L387 WeakPolarHBondContact O-CB 3.42Å; S383-L387 WeakPolarHBondContact O-CD1 3.48Å; S383-L387 WeakPolarHBondContact O-CG 3.41Å; S383-L387 PolarHBondContact O-N 3.1Å
384	M	98.9	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-50.4	175.3	-174.8	-166.7	77.1	0	0	111.1	V363 I380 Y381 A386 L387 L388 V419 P449	V363-M384 HydrophobicContact CG1-CB 4.47Å; V363-M384 HydrophobicContact CG1-CG 3.73Å; I380-M384 WeakPolarHBondContact O-CB 3.41Å; I380-M384 PolarHBondContact O-N 3.2Å; Y381-M384 HydrophobicContact CD2-CE 3.5Å; Y381-M384 VanDerWaalsContact CD2-CE 3.5Å; Y381-M384 HydrophobicContact CE2-CE 3.49Å; Y381-M384 VanDerWaalsContact CE2-CE 3.49Å; Y381-M384 WeakPolarHBondContact O-CB 3.39Å; Y381-M384 PolarHBondContact O-N 2.86Å; M384-A386 VanDerWaalsContact C-N 3.32Å; M384-A386 PolarHBondContact O-N 2.54Å; M384-L387 WeakPolarHBondContact O-CB 3.47Å; M384-L387 PolarHBondContact O-N 2.9Å; M384-L388 HydrophobicContact CE-CD1 4.01Å; M384-L388 HydrophobicContact CG-CD1 3.92Å; M384-L388 HydrophobicContact CG-CG 4.28Å; M384-L388 WeakPolarHBondContact O-CB 3.46Å; M384-L388 WeakPolarHBondContact O-CG 3.49Å; M384-L388 PolarHBondContact O-N 3.39Å; M384-L388 HydrophobicContact SD-CD1 4.35Å; M384-V419 HydrophobicContact CB-CB 4.33Å; M384-V419 HydrophobicContact CB-CG2 3.98Å; M384-V419 HydrophobicContact CE-CB 4.28Å; M384-V419 HydrophobicContact CG-CG2 4.06Å; M384-V419 HydrophobicContact SD-CB 3.52Å; M384-V419 VanDerWaalsContact SD-CB 3.52Å; M384-V419 HydrophobicContact SD-CG2 3.43Å; M384-V419 WeakPolarHBondContact SD-CG2 3.46Å; M384-P449 HydrophobicContact CG-CB 3.96Å; M384-P449 HydrophobicContact SD-CB 3.69Å
385	L	98.8	Very high	98.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-40.2	-179.8	-67.8	176.6	0	0	0	112.2	Y381 S382 G389 L408 A411 R412	Y381-L385 HydrophobicContact CD1-CD1 4.29Å; Y381-L385 HydrophobicContact CD2-CG 4.37Å; Y381-L385 HydrophobicContact CE1-CD1 3.78Å; Y381-L385 HydrophobicContact CE1-CG 4.5Å; Y381-L385 HydrophobicContact CE2-CD1 4.13Å; Y381-L385 HydrophobicContact CE2-CD2 4.02Å; Y381-L385 HydrophobicContact CE2-CG 3.99Å; Y381-L385 WeakPolarHBondContact O-CG 3.31Å; Y381-L385 PolarHBondContact O-N 3.49Å; S382-L385 PolarHBondContact O-N 3.02Å; L385-G389 PolarHBondContact O-N 2.8Å; L385-L408 HydrophobicContact CB-CD2 3.69Å; L385-A411 HydrophobicContact CB-CB 4.37Å; L385-A411 HydrophobicContact CD2-CB 4.05Å; L385-A411 WeakPolarHBondContact O-CB 3.43Å; L385-R412 HydrophobicContact CD1-CG 3.75Å; L385-R412 HydrophobicContact CD2-CG 3.79Å; L385-R412 HydrophobicContact CG-CG 4.42Å
386	A	98.6	Very high	98.5	Very high	34 Å²	34	34.9 Å²	34.9	28%	0.281	18%	0.183	S	C	.	.	H	α-helix	trans	-65.8	-39.6	176.4	0	0	0	0	0	112.1	S382 S383 M384 R390 L408	S382-A386 PolarHBondContact O-N 3.22Å; S383-A386 PolarHBondContact O-N 3.05Å; M384-A386 VanDerWaalsContact C-N 3.32Å; M384-A386 PolarHBondContact O-N 2.54Å; A386-R390 PolarHBondContact O-N 2.95Å; A386-R390 PolarHBondContact O-NH1 3.34Å; A386-L408 HydrophobicContact CB-CD2 4.25Å
387	L	98.8	Very high	98.4	Very high	18 Å²	18	34.6 Å²	34.6	9%	0.094	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-47.4	175.4	-78.9	159	0	0	0	111.7	V363 S383 M384 G389 R390 Q391	V363-L387 HydrophobicContact CB-CB 4.33Å; V363-L387 HydrophobicContact CG1-CB 3.95Å; V363-L387 HydrophobicContact CG1-CD1 4.36Å; V363-L387 HydrophobicContact CG2-CB 3.78Å; S383-L387 WeakPolarHBondContact O-CB 3.42Å; S383-L387 WeakPolarHBondContact O-CD1 3.48Å; S383-L387 WeakPolarHBondContact O-CG 3.41Å; S383-L387 PolarHBondContact O-N 3.1Å; M384-L387 WeakPolarHBondContact O-CB 3.47Å; M384-L387 PolarHBondContact O-N 2.9Å; L387-G389 VanDerWaalsContact C-N 3.32Å; L387-G389 PolarHBondContact O-N 3.37Å; L387-R390 WeakPolarHBondContact O-CB 3.47Å; L387-R390 PolarHBondContact O-N 3.48Å; L387-R390 VanDerWaalsContact O-N 3.14Å; L387-Q391 WeakPolarHBondContact O-CG 3.24Å; L387-Q391 PolarHBondContact O-N 3.04Å
388	L	98.8	Very high	98.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-43.2	175.7	-70.9	174	0	0	0	111	V363 M384 R390 Q391 L392 A411 C415 L451	V363-L388 HydrophobicContact CB-CD2 4.28Å; V363-L388 HydrophobicContact CG1-CD2 4.16Å; V363-L388 HydrophobicContact CG1-CG 4.14Å; V363-L388 HydrophobicContact CG2-CD2 3.8Å; V363-L388 HydrophobicContact CG2-CG 4.26Å; M384-L388 HydrophobicContact CE-CD1 4.01Å; M384-L388 HydrophobicContact CG-CD1 3.92Å; M384-L388 HydrophobicContact CG-CG 4.28Å; M384-L388 WeakPolarHBondContact O-CB 3.46Å; M384-L388 WeakPolarHBondContact O-CG 3.49Å; M384-L388 PolarHBondContact O-N 3.39Å; M384-L388 HydrophobicContact SD-CD1 4.35Å; L388-R390 VanDerWaalsContact C-N 3.28Å; L388-R390 PolarHBondContact O-N 2.98Å; L388-Q391 PolarHBondContact O-N 3.11Å; L388-Q391 VanDerWaalsContact O-N 3.13Å; L388-L392 WeakPolarHBondContact O-CB 2.99Å; L388-L392 VanDerWaalsContact O-CG 3.27Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.86Å; L388-A411 HydrophobicContact CB-CB 3.96Å; L388-C415 HydrophobicContact CD1-CB 3.67Å; L388-L451 HydrophobicContact CD2-CD1 4.28Å; L388-L451 HydrophobicContact CD2-CD2 3.94Å; L388-L451 HydrophobicContact CD2-CG 3.9Å
389	G	98.5	Very high	98.2	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-39.7	175	0	0	0	0	0	113.1	L385 L387 R393	L385-G389 PolarHBondContact O-N 2.8Å; L387-G389 VanDerWaalsContact C-N 3.32Å; L387-G389 PolarHBondContact O-N 3.37Å; G389-R393 PolarHBondContact O-N 2.88Å
390	R	98.4	Very high	98	Very high	135 Å²	135	41.6 Å²	41.6	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-43.6	173.9	-70.6	-168.9	-65.2	-87.4	12.2	112.3	A386 L387 L388 R393 R394	A386-R390 PolarHBondContact O-N 2.95Å; A386-R390 PolarHBondContact O-NH1 3.34Å; L387-R390 WeakPolarHBondContact O-CB 3.47Å; L387-R390 PolarHBondContact O-N 3.48Å; L387-R390 VanDerWaalsContact O-N 3.14Å; L388-R390 VanDerWaalsContact C-N 3.28Å; L388-R390 PolarHBondContact O-N 2.98Å; R390-R393 PolarHBondContact O-N 3.33Å; R390-R394 PolarHBondContact O-N 2.78Å
391	Q	98.6	Very high	97.8	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-42.5	177.1	-70.3	-61.3	-19.5	0	0	111.6	A359 E362 V363 L387 L388 R393 R394 L395	A359-Q391 HydrophobicContact CB-CB 4.07Å; A359-Q391 HydrophobicContact CB-CG 4.07Å; E362-Q391 PolarHBondContact OE1-NE2 2.87Å; E362-Q391 PolarHBondContact OE2-NE2 2.74Å; V363-Q391 HydrophobicContact CG2-CG 3.88Å; L387-Q391 WeakPolarHBondContact O-CG 3.24Å; L387-Q391 PolarHBondContact O-N 3.04Å; L388-Q391 PolarHBondContact O-N 3.11Å; L388-Q391 VanDerWaalsContact O-N 3.13Å; Q391-R393 VanDerWaalsContact C-N 3.28Å; Q391-R393 PolarHBondContact O-N 3.09Å; Q391-R394 WeakPolarHBondContact O-CA 3.13Å; Q391-R394 WeakPolarHBondContact O-CB 3.44Å; Q391-R394 PolarHBondContact O-N 2.89Å; Q391-L395 WeakPolarHBondContact O-CB 3.45Å; Q391-L395 VanDerWaalsContact O-CG 3.26Å; Q391-L395 WeakPolarHBondContact O-CG 3.47Å; Q391-L395 PolarHBondContact O-N 2.96Å
392	L	98.5	Very high	97.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-35.9	176.3	-71.3	171.7	0	0	0	112.7	L388 G396 I397 L398 A410 A411 F414 L451	L388-L392 WeakPolarHBondContact O-CB 2.99Å; L388-L392 VanDerWaalsContact O-CG 3.27Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.86Å; L392-G396 PolarHBondContact O-N 3.44Å; L392-I397 HydrophobicContact CD2-CB 4.06Å; L392-I397 HydrophobicContact CD2-CD1 3.74Å; L392-I397 HydrophobicContact CD2-CG2 3.89Å; L392-I397 PolarHBondContact O-N 2.99Å; L392-L398 HydrophobicContact CB-CB 4.48Å; L392-L398 HydrophobicContact CB-CD1 3.65Å; L392-L398 HydrophobicContact CB-CG 3.85Å; L392-L398 HydrophobicContact CD1-CD1 4.08Å; L392-L398 PolarHBondContact O-N 3.1Å; L392-A410 HydrophobicContact CD1-CB 4.43Å; L392-A411 HydrophobicContact CD1-CB 4.42Å; L392-F414 HydrophobicContact CD1-CB 4.35Å; L392-F414 HydrophobicContact CD1-CD2 3.79Å; L392-F414 HydrophobicContact CD1-CG 4.33Å; L392-F414 HydrophobicContact CD2-CB 4.41Å; L392-F414 HydrophobicContact CD2-CD2 4.03Å; L392-F414 HydrophobicContact CD2-CE2 4.44Å; L392-F414 HydrophobicContact CD2-CG 4.09Å; L392-L451 HydrophobicContact CD2-CD1 4.47Å; L392-L451 HydrophobicContact CD2-CD2 3.93Å; L392-L451 HydrophobicContact CG-CD2 4.35Å
393	R	98.1	Very high	97.6	Very high	55 Å²	55	46.2 Å²	46.2	21%	0.208	25%	0.246	C	C	.	.	H	α-helix	trans	-69	-42.6	171.2	-67	-179.6	-169.1	147.7	5.5	111.9	G389 R390 Q391 L395 G396 L398 T402 S403 D404 A407	G389-R393 PolarHBondContact O-N 2.88Å; R390-R393 PolarHBondContact O-N 3.33Å; Q391-R393 VanDerWaalsContact C-N 3.28Å; Q391-R393 PolarHBondContact O-N 3.09Å; R393-L395 VanDerWaalsContact C-N 3.33Å; R393-L395 PolarHBondContact O-N 3.23Å; R393-G396 PolarHBondContact O-N 3.45Å; R393-G396 VanDerWaalsContact O-N 3.12Å; R393-L398 HydrophobicContact CG-CB 4.02Å; R393-T402 PolarHBondContact NE-O 3.41Å; R393-T402 VanDerWaalsContact NE-O 3.11Å; R393-T402 PolarHBondContact NH2-O 3.48Å; R393-S403 PolarHBondContact NH2-O 3Å; R393-D404 IonicContact CZ-OD1 3.88Å; R393-D404 IonicContact NH1-OD1 3.27Å; R393-D404 PolarHBondContact NH1-OD1 3.29Å; R393-D404 VanDerWaalsContact NH2-CA 3.29Å; R393-D404 IonicContact NH2-OD1 3.74Å; R393-D404 PolarHBondContact NH2-OD1 3.23Å; R393-A407 VanDerWaalsContact NH2-CB 3.27Å
394	R	97.8	Very high	97.5	Very high	130 Å²	130	50.1 Å²	50.1	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-60.5	-43.1	179.3	-170	-175.8	80.4	147	7.3	111.7	E362 R390 Q391 G396	E362-R394 IonicContact OE2-NH1 3.88Å; R390-R394 PolarHBondContact O-N 2.78Å; Q391-R394 WeakPolarHBondContact O-CA 3.13Å; Q391-R394 WeakPolarHBondContact O-CB 3.44Å; Q391-R394 PolarHBondContact O-N 2.89Å; R394-G396 PolarHBondContact O-N 2.94Å
395	L	97.9	Very high	97.4	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.5	178.1	-63.9	170.8	0	0	0	113.2	E355 L356 A359 Q391 R393 I397 L451 F464	E355-L395 HydrophobicContact CB-CD2 4.35Å; E355-L395 HydrophobicContact CG-CD2 3.55Å; L356-L395 HydrophobicContact CD1-CD1 3.87Å; A359-L395 HydrophobicContact CB-CD1 3.94Å; A359-L395 HydrophobicContact CB-CD2 4.43Å; A359-L395 HydrophobicContact CB-CG 4.46Å; Q391-L395 WeakPolarHBondContact O-CB 3.45Å; Q391-L395 VanDerWaalsContact O-CG 3.26Å; Q391-L395 WeakPolarHBondContact O-CG 3.47Å; Q391-L395 PolarHBondContact O-N 2.96Å; R393-L395 VanDerWaalsContact C-N 3.33Å; R393-L395 PolarHBondContact O-N 3.23Å; L395-I397 HydrophobicContact CB-CD1 3.92Å; L395-I397 HydrophobicContact CB-CG1 4.11Å; L395-I397 HydrophobicContact CD1-CD1 3.91Å; L395-I397 PolarHBondContact O-N 2.93Å; L395-L451 HydrophobicContact CD1-CD1 4.39Å; L395-F464 HydrophobicContact CB-CE2 4.1Å; L395-F464 HydrophobicContact CB-CZ 4.3Å; L395-F464 HydrophobicContact CD2-CE1 4.43Å; L395-F464 HydrophobicContact CD2-CE2 4.49Å; L395-F464 HydrophobicContact CD2-CZ 3.86Å; L395-F464 WeakPolarHBondContact O-CE2 3.35Å
396	G	97.5	Very high	97.3	Very high	47 Å²	47	57.8 Å²	57.8	49%	0.485	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	10.4	-176.1	0	0	0	0	0	114.9	L392 R393 R394 L398	L392-G396 PolarHBondContact O-N 3.44Å; R393-G396 PolarHBondContact O-N 3.45Å; R393-G396 VanDerWaalsContact O-N 3.12Å; R394-G396 PolarHBondContact O-N 2.94Å; G396-L398 VanDerWaalsContact C-N 3.31Å
397	I	97.3	Very high	97.2	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.062	30%	0.304	C	S	.	.	S	Bend	trans	-70	-34.1	172	-63.4	163.2	0	0	0	110.3	L392 L395 F414 I453 P461 F464	L392-I397 HydrophobicContact CD2-CB 4.06Å; L392-I397 HydrophobicContact CD2-CD1 3.74Å; L392-I397 HydrophobicContact CD2-CG2 3.89Å; L392-I397 PolarHBondContact O-N 2.99Å; L395-I397 HydrophobicContact CB-CD1 3.92Å; L395-I397 HydrophobicContact CB-CG1 4.11Å; L395-I397 HydrophobicContact CD1-CD1 3.91Å; L395-I397 PolarHBondContact O-N 2.93Å; I397-F414 HydrophobicContact CG2-CE1 4Å; I397-F414 HydrophobicContact CG2-CE2 3.85Å; I397-F414 HydrophobicContact CG2-CZ 3.44Å; I397-F414 VanDerWaalsContact CG2-CZ 3.44Å; I397-I453 HydrophobicContact CD1-CD1 3.58Å; I397-P461 HydrophobicContact CG1-CG 4.5Å; I397-F464 HydrophobicContact CD1-CD2 4.27Å; I397-F464 HydrophobicContact CG1-CD2 4.1Å
398	L	97.2	Very high	97.1	Very high	28 Å²	28	58.6 Å²	58.6	15%	0.147	32%	0.316	C	S	.	.	S	Bend	trans	-112.1	148.9	167.7	-63	176.2	0	0	0	109.7	L392 R393 G396 A407 A410	L392-L398 HydrophobicContact CB-CB 4.48Å; L392-L398 HydrophobicContact CB-CD1 3.65Å; L392-L398 HydrophobicContact CB-CG 3.85Å; L392-L398 HydrophobicContact CD1-CD1 4.08Å; L392-L398 PolarHBondContact O-N 3.1Å; R393-L398 HydrophobicContact CG-CB 4.02Å; G396-L398 VanDerWaalsContact C-N 3.31Å; L398-A407 HydrophobicContact CD1-CB 4.16Å; L398-A410 HydrophobicContact CD1-CB 3.68Å; L398-A410 HydrophobicContact CD2-CB 3.8Å; L398-A410 HydrophobicContact CG-CB 4.3Å
399	R	95.6	Very high	97.1	Very high	174 Å²	174	66 Å²	66	66%	0.657	35%	0.347	S	S	*	.			trans	-63.6	145.7	172.9	-60.7	172.4	50.3	87.9	1.9	110.6	D401 T402	R399-D401 WeakPolarHBondContact CB-OD1 3.32Å; R399-D401 IonicContact CZ-OD1 2.79Å; R399-D401 IonicContact CZ-OD2 2.66Å; R399-D401 IonicContact NE-OD1 2.88Å; R399-D401 PolarHBondContact NE-OD1 2.94Å; R399-D401 IonicContact NE-OD2 3.02Å; R399-D401 IonicContact NH2-OD1 3.57Å; R399-D401 PolarHBondContact NH2-OD1 2.75Å; R399-D401 IonicContact NH2-OD2 3.76Å; R399-D401 PolarHBondContact NH2-OD2 2.82Å; R399-D401 PolarHBondContact O-N 3.3Å; R399-T402 PolarHBondContact N-OG1 3.33Å; R399-T402 VanDerWaalsContact O-CB 3.23Å; R399-T402 WeakPolarHBondContact O-CB 3.23Å; R399-T402 PolarHBondContact O-N 3.01Å; R399-T402 PolarHBondContact O-OG1 3.48Å
400	A	94	Very high	97	Very high	92 Å²	92	66.5 Å²	66.5	76%	0.76	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29	-179.7	0	0	0	0	0	113.8
401	D	94.8	Very high	97	Very high	111 Å²	111	60.1 Å²	60.1	59%	0.594	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.4	178.9	62	-9.8	0	0	0	114.2	R399 S403	R399-D401 WeakPolarHBondContact CB-OD1 3.32Å; R399-D401 IonicContact CZ-OD1 2.79Å; R399-D401 IonicContact CZ-OD2 2.66Å; R399-D401 IonicContact NE-OD1 2.88Å; R399-D401 PolarHBondContact NE-OD1 2.94Å; R399-D401 IonicContact NE-OD2 3.02Å; R399-D401 IonicContact NH2-OD1 3.57Å; R399-D401 PolarHBondContact NH2-OD1 2.75Å; R399-D401 IonicContact NH2-OD2 3.76Å; R399-D401 PolarHBondContact NH2-OD2 2.82Å; R399-D401 PolarHBondContact O-N 3.3Å; D401-S403 PolarHBondContact O-N 2.96Å
402	T	96.3	Very high	96.9	Very high	27 Å²	27	65.5 Å²	65.5	17%	0.166	35%	0.347	C	S	.	.			trans	-57.5	131.3	177.7	-56.8	0	0	0	0	110	R393 R399 D406 A407	R393-T402 PolarHBondContact NE-O 3.41Å; R393-T402 VanDerWaalsContact NE-O 3.11Å; R393-T402 PolarHBondContact NH2-O 3.48Å; R399-T402 PolarHBondContact N-OG1 3.33Å; R399-T402 VanDerWaalsContact O-CB 3.23Å; R399-T402 WeakPolarHBondContact O-CB 3.23Å; R399-T402 PolarHBondContact O-N 3.01Å; R399-T402 PolarHBondContact O-OG1 3.48Å; T402-D406 HydrophobicContact CG2-CB 3.68Å; T402-A407 HydrophobicContact CG2-CB 4.39Å
403	S	97.1	Very high	96.8	Very high	53 Å²	53	73.8 Å²	73.8	37%	0.371	38%	0.379	S	S	.	.			trans	-62	158.9	178.7	82.4	0	0	0	0	112.3	R393 D401 A405 D406 A407	R393-S403 PolarHBondContact NH2-O 3Å; D401-S403 PolarHBondContact O-N 2.96Å; S403-A405 VanDerWaalsContact C-N 3.31Å; S403-A405 PolarHBondContact O-N 2.97Å; S403-D406 PolarHBondContact O-N 3.34Å; S403-D406 WeakPolarHBondContact OG-CB 3.41Å; S403-D406 PolarHBondContact OG-N 3.01Å; S403-D406 VanDerWaalsContact OG-N 3.11Å; S403-D406 PolarHBondContact OG-OD2 3.36Å; S403-A407 WeakPolarHBondContact O-CB 3.38Å; S403-A407 PolarHBondContact O-N 3Å
404	D	95.6	Very high	96.8	Very high	115 Å²	115	71.7 Å²	71.7	62%	0.615	37%	0.371	S	S	*	.	H	α-helix	trans	-65.3	-34.6	177.4	-73	-14.3	0	0	0	112.6	R393 A407 L408	R393-D404 IonicContact CZ-OD1 3.88Å; R393-D404 IonicContact NH1-OD1 3.27Å; R393-D404 PolarHBondContact NH1-OD1 3.29Å; R393-D404 VanDerWaalsContact NH2-CA 3.29Å; R393-D404 IonicContact NH2-OD1 3.74Å; R393-D404 PolarHBondContact NH2-OD1 3.23Å; D404-A407 PolarHBondContact O-N 3.29Å; D404-L408 WeakPolarHBondContact O-CB 3.28Å; D404-L408 WeakPolarHBondContact O-CG 3.45Å; D404-L408 PolarHBondContact O-N 3.31Å
405	A	96.6	Very high	96.9	Very high	70 Å²	70	65.5 Å²	65.5	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-64.3	-44	175.2	0	0	0	0	0	111.7	S403 L408 K409	S403-A405 VanDerWaalsContact C-N 3.31Å; S403-A405 PolarHBondContact O-N 2.97Å; A405-L408 PolarHBondContact O-N 2.68Å; A405-K409 PolarHBondContact O-N 3.29Å
406	D	97.1	Very high	96.9	Very high	91 Å²	91	69 Å²	69	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-70.2	-37	178.1	-64.9	-45.1	0	0	0	111.8	T402 S403 K409 A410	T402-D406 HydrophobicContact CG2-CB 3.68Å; S403-D406 PolarHBondContact O-N 3.34Å; S403-D406 WeakPolarHBondContact OG-CB 3.41Å; S403-D406 PolarHBondContact OG-N 3.01Å; S403-D406 VanDerWaalsContact OG-N 3.11Å; S403-D406 PolarHBondContact OG-OD2 3.36Å; D406-K409 PolarHBondContact O-N 3.06Å; D406-A410 WeakPolarHBondContact O-CB 3.44Å; D406-A410 PolarHBondContact O-N 2.81Å
407	A	97.2	Very high	96.9	Very high	4 Å²	4	68.2 Å²	68.2	3%	0.033	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-38.4	174.8	0	0	0	0	0	112.2	R393 L398 T402 S403 D404 A410 A411	R393-A407 VanDerWaalsContact NH2-CB 3.27Å; L398-A407 HydrophobicContact CD1-CB 4.16Å; T402-A407 HydrophobicContact CG2-CB 4.39Å; S403-A407 WeakPolarHBondContact O-CB 3.38Å; S403-A407 PolarHBondContact O-N 3Å; D404-A407 PolarHBondContact O-N 3.29Å; A407-A410 PolarHBondContact O-N 3.23Å; A407-A411 WeakPolarHBondContact O-CB 3.48Å; A407-A411 PolarHBondContact O-N 3.5Å
408	L	97	Very high	97	Very high	66 Å²	66	68.8 Å²	68.8	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-41.8	172.4	-77.9	168.8	0	0	0	112	L385 A386 D404 A405 A411 R412	L385-L408 HydrophobicContact CB-CD2 3.69Å; A386-L408 HydrophobicContact CB-CD2 4.25Å; D404-L408 WeakPolarHBondContact O-CB 3.28Å; D404-L408 WeakPolarHBondContact O-CG 3.45Å; D404-L408 PolarHBondContact O-N 3.31Å; A405-L408 PolarHBondContact O-N 2.68Å; L408-A411 PolarHBondContact O-N 2.95Å; L408-R412 WeakPolarHBondContact O-CG 3.29Å; L408-R412 PolarHBondContact O-N 3.37Å; L408-R412 VanDerWaalsContact O-N 3.14Å
409	K	97.2	Very high	97	Very high	154 Å²	154	67.5 Å²	67.5	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-63.3	-42.9	175.9	-175	-179	177.8	-175.9	0	111.2	A405 D406 R412 R413	A405-K409 PolarHBondContact O-N 3.29Å; D406-K409 PolarHBondContact O-N 3.06Å; K409-R412 PolarHBondContact O-N 2.95Å; K409-R413 PolarHBondContact O-N 2.94Å
410	A	97.1	Very high	97.2	Very high	15 Å²	15	59.2 Å²	59.2	12%	0.124	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-44.8	174.9	0	0	0	0	0	111.6	L392 L398 D406 A407 R412 R413 F414	L392-A410 HydrophobicContact CD1-CB 4.43Å; L398-A410 HydrophobicContact CD1-CB 3.68Å; L398-A410 HydrophobicContact CD2-CB 3.8Å; L398-A410 HydrophobicContact CG-CB 4.3Å; D406-A410 WeakPolarHBondContact O-CB 3.44Å; D406-A410 PolarHBondContact O-N 2.81Å; A407-A410 PolarHBondContact O-N 3.23Å; A410-R412 VanDerWaalsContact C-N 3.26Å; A410-R412 PolarHBondContact O-N 3.49Å; A410-R413 WeakPolarHBondContact O-CA 3.45Å; A410-R413 WeakPolarHBondContact O-CB 3.31Å; A410-R413 PolarHBondContact O-N 3.03Å; A410-F414 HydrophobicContact CB-CD2 4.5Å; A410-F414 VanDerWaalsContact O-CD2 3.3Å; A410-F414 WeakPolarHBondContact O-CD2 3.24Å; A410-F414 PolarHBondContact O-N 3.25Å
411	A	98	Very high	97.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.1	-41	176.5	0	0	0	0	0	112.1	L385 L388 L392 A407 L408 R413 F414 C415	L385-A411 HydrophobicContact CB-CB 4.37Å; L385-A411 HydrophobicContact CD2-CB 4.05Å; L385-A411 WeakPolarHBondContact O-CB 3.43Å; L388-A411 HydrophobicContact CB-CB 3.96Å; L392-A411 HydrophobicContact CD1-CB 4.42Å; A407-A411 WeakPolarHBondContact O-CB 3.48Å; A407-A411 PolarHBondContact O-N 3.5Å; L408-A411 PolarHBondContact O-N 2.95Å; A411-R413 VanDerWaalsContact C-N 3.31Å; A411-R413 PolarHBondContact O-N 3.29Å; A411-F414 PolarHBondContact O-N 2.98Å; A411-C415 WeakPolarHBondContact O-CB 3.45Å; A411-C415 PolarHBondContact O-N 2.77Å
412	R	97.6	Very high	97.6	Very high	122 Å²	122	50.2 Å²	50.2	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-30.4	173.9	-68.1	177.3	-173.8	-82.3	1.1	113.6	Y381 L385 L408 K409 A410 C415 P416	Y381-R412 PolarHBondContact OH-NH1 2.95Å; Y381-R412 VanDerWaalsContact OH-NH1 3.17Å; L385-R412 HydrophobicContact CD1-CG 3.75Å; L385-R412 HydrophobicContact CD2-CG 3.79Å; L385-R412 HydrophobicContact CG-CG 4.42Å; L408-R412 WeakPolarHBondContact O-CG 3.29Å; L408-R412 PolarHBondContact O-N 3.37Å; L408-R412 VanDerWaalsContact O-N 3.14Å; K409-R412 PolarHBondContact O-N 2.95Å; A410-R412 VanDerWaalsContact C-N 3.26Å; A410-R412 PolarHBondContact O-N 3.49Å; R412-C415 CarbonylContact O-C 3.58Å; R412-P416 VanDerWaalsContact O-CA 3.28Å; R412-P416 WeakPolarHBondContact O-CA 3.28Å
413	R	96.9	Very high	97.7	Very high	174 Å²	174	48.9 Å²	48.9	66%	0.657	25%	0.25	S	C	*	.	H	α-helix	trans	-73	-43.4	176	-177.7	-179.2	173.4	-172.3	-3.5	111.2	K409 A410 A411	K409-R413 PolarHBondContact O-N 2.94Å; A410-R413 WeakPolarHBondContact O-CA 3.45Å; A410-R413 WeakPolarHBondContact O-CB 3.31Å; A410-R413 PolarHBondContact O-N 3.03Å; A411-R413 VanDerWaalsContact C-N 3.31Å; A411-R413 PolarHBondContact O-N 3.29Å
414	F	98	Very high	97.8	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-80.3	-16.4	179.3	-74	-80.5	0	0	0	113.6	L392 I397 A410 A411 L451 Y452 I453 N457	L392-F414 HydrophobicContact CD1-CB 4.35Å; L392-F414 HydrophobicContact CD1-CD2 3.79Å; L392-F414 HydrophobicContact CD1-CG 4.33Å; L392-F414 HydrophobicContact CD2-CB 4.41Å; L392-F414 HydrophobicContact CD2-CD2 4.03Å; L392-F414 HydrophobicContact CD2-CE2 4.44Å; L392-F414 HydrophobicContact CD2-CG 4.09Å; I397-F414 HydrophobicContact CG2-CE1 4Å; I397-F414 HydrophobicContact CG2-CE2 3.85Å; I397-F414 HydrophobicContact CG2-CZ 3.44Å; I397-F414 VanDerWaalsContact CG2-CZ 3.44Å; A410-F414 HydrophobicContact CB-CD2 4.5Å; A410-F414 VanDerWaalsContact O-CD2 3.3Å; A410-F414 WeakPolarHBondContact O-CD2 3.24Å; A410-F414 PolarHBondContact O-N 3.25Å; A411-F414 PolarHBondContact O-N 2.98Å; F414-L451 HydrophobicContact CB-CD2 3.79Å; F414-Y452 WeakPolarHBondContact CD1-O 3.43Å; F414-Y452 VanDerWaalsContact O-CD2 3.25Å; F414-Y452 WeakPolarHBondContact O-CD2 3.41Å; F414-Y452 PolarHBondContact O-N 3Å; F414-I453 HydrophobicContact CD1-CG1 4.02Å; F414-I453 HydrophobicContact CE1-CG1 4.07Å; F414-N457 VanDerWaalsContact CE1-ND2 3.33Å; F414-N457 WeakPolarHBondContact CE1-ND2 3.34Å
415	C	98.4	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.			trans	-136.3	83.8	173.6	-174.9	0	0	0	0	109.2	L388 A411 R412 H417 G450	L388-C415 HydrophobicContact CD1-CB 3.67Å; A411-C415 WeakPolarHBondContact O-CB 3.45Å; A411-C415 PolarHBondContact O-N 2.77Å; R412-C415 CarbonylContact O-C 3.58Å; C415-H417 VanDerWaalsContact C-N 3.28Å; C415-H417 PolarHBondContact O-N 2.62Å; C415-G450 VanDerWaalsContact CB-O 3.23Å; C415-G450 WeakPolarHBondContact CB-O 3.48Å; C415-G450 PolarHBondContact SG-O 3Å; C415-G450 VanDerWaalsContact SG-O 3.4Å
416	P	97.8	Very high	98	Very high	82 Å²	82	40.8 Å²	40.8	53%	0.532	19%	0.192	S	C	.	.			trans	-83.9	1.2	-170.6	29.8	-28.8	0	0	0	114.4	L309 R412	L309-P416 HydrophobicContact CD1-CG 3.96Å; R412-P416 VanDerWaalsContact O-CA 3.28Å; R412-P416 WeakPolarHBondContact O-CA 3.28Å
417	H	98.5	Very high	98.1	Very high	31 Å²	31	37.6 Å²	37.6	14%	0.144	18%	0.176	C	C	.	.	S	Bend	trans	-103.7	176.3	174.1	60.8	84	0	0	0	112	L309 Y381 C415 E448 Y452	L309-H417 HydrophobicContact CD1-CB 4.26Å; Y381-H417 WeakPolarHBondContact CE2-O 3.33Å; C415-H417 VanDerWaalsContact C-N 3.28Å; C415-H417 PolarHBondContact O-N 2.62Å; H417-E448 PolarHBondContact CE1-O 3.08Å; H417-E448 IonicContact CE1-OE2 3.45Å; H417-E448 IonicContact ND1-OE2 2.8Å; H417-Y452 AromaticContact CD2-CE2 3.6Å; H417-Y452 AromaticContact CD2-CZ 3.96Å; H417-Y452 PolarHBondContact CD2-OH 3.38Å; H417-Y452 AromaticContact NE2-CE2 3.2Å; H417-Y452 WeakPolarHBondContact NE2-CE2 3.48Å; H417-Y452 AromaticContact NE2-CZ 3.42Å; H417-Y452 PolarHBondContact NE2-OH 2.93Å
418	H	98.5	Very high	98.1	Very high	25 Å²	25	43 Å²	43	12%	0.116	20%	0.2	C	C	.	.			trans	-78.6	169.1	178.5	-159.9	-95.6	0	0	0	111	D378 Y381 G420	D378-H418 IonicContact OD1-NE2 3.6Å; D378-H418 PolarHBondContact OD1-NE2 2.89Å; Y381-H418 WeakPolarHBondContact CB-NE2 3.31Å; Y381-H418 AromaticContact CD1-CD2 3.82Å; Y381-H418 AromaticContact CD1-NE2 3.76Å; Y381-H418 AromaticContact CD2-CD2 3.99Å; Y381-H418 AromaticContact CG-CD2 3.71Å; Y381-H418 AromaticContact CG-NE2 3.57Å; H418-G420 PolarHBondContact ND1-N 3.07Å; H418-G420 PolarHBondContact ND1-O 3.35Å; H418-G420 PolarHBondContact O-N 3.19Å
419	V	98.7	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-73.8	-10.9	174.9	70.8	0	0	0	0	113.6	C367 L377 I380 Y381 M384 I447 E448	C367-V419 HydrophobicContact CB-CG2 4.34Å; L377-V419 HydrophobicContact CD2-CG1 4.28Å; I380-V419 HydrophobicContact CB-CG1 4.19Å; I380-V419 HydrophobicContact CG2-CG1 4Å; I380-V419 HydrophobicContact CG2-CG2 3.92Å; Y381-V419 HydrophobicContact CD2-CB 4.13Å; M384-V419 HydrophobicContact CB-CB 4.33Å; M384-V419 HydrophobicContact CB-CG2 3.98Å; M384-V419 HydrophobicContact CE-CB 4.28Å; M384-V419 HydrophobicContact CG-CG2 4.06Å; M384-V419 HydrophobicContact SD-CB 3.52Å; M384-V419 VanDerWaalsContact SD-CB 3.52Å; M384-V419 HydrophobicContact SD-CG2 3.43Å; M384-V419 WeakPolarHBondContact SD-CG2 3.46Å; V419-I447 HydrophobicContact CG2-CD1 4.42Å; V419-I447 HydrophobicContact CG2-CG2 4.45Å; V419-I447 CarbonylContact O-C 3.49Å; V419-I447 WeakPolarHBondContact O-CA 3.47Å; V419-E448 VanDerWaalsContact O-CG 3.29Å; V419-E448 WeakPolarHBondContact O-CG 3.4Å; V419-E448 PolarHBondContact O-N 3.4Å
420	G	98.4	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.			trans	157.8	174.6	-171.6	0	0	0	0	0	114.1	H418 T446 E448	H418-G420 PolarHBondContact ND1-N 3.07Å; H418-G420 PolarHBondContact ND1-O 3.35Å; H418-G420 PolarHBondContact O-N 3.19Å; G420-T446 WeakPolarHBondContact CA-O 3.47Å; G420-T446 VanDerWaalsContact CA-OG1 3.23Å; G420-T446 WeakPolarHBondContact CA-OG1 3.37Å; G420-E448 WeakPolarHBondContact CA-OE1 3.36Å
421	H	98.8	Very high	97.9	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.032	17%	0.171	C	C	.	.			trans	-144.2	172.1	179.6	52.2	81.3	0	0	0	110.8	D338 V427 H428 I445 T446 E448	D338-H421 IonicContact OD2-CE1 3.95Å; D338-H421 PolarHBondContact OD2-CE1 3.42Å; D338-H421 VanDerWaalsContact OD2-CE1 3.27Å; D338-H421 IonicContact OD2-NE2 2.73Å; D338-H421 PolarHBondContact OD2-NE2 2.96Å; H421-V427 PolarHBondContact CE1-O 2.87Å; H421-V427 PolarHBondContact ND1-O 3.47Å; H421-H428 AromaticContact CD2-CD2 3.46Å; H421-H428 PolarHBondContact CD2-CD2 2.91Å; H421-H428 VanDerWaalsContact CD2-CD2 3.46Å; H421-H428 AromaticContact CD2-NE2 3.68Å; H421-H428 AromaticContact CE1-CD2 3.56Å; H421-H428 AromaticContact CG-CD2 3.54Å; H421-H428 AromaticContact ND1-CD2 3.6Å; H421-H428 AromaticContact NE2-CD2 3.47Å; H421-H428 PolarHBondContact NE2-CD2 2.82Å; H421-H428 AromaticContact NE2-NE2 3.72Å; H421-I445 CarbonylContact O-C 3.6Å; H421-I445 WeakPolarHBondContact O-CA 3.23Å; H421-I445 VanDerWaalsContact O-CB 3.28Å; H421-I445 WeakPolarHBondContact O-CB 3.34Å; H421-T446 PolarHBondContact CD2-OG1 3.42Å; H421-T446 VanDerWaalsContact CD2-OG1 3.28Å; H421-T446 VanDerWaalsContact CE1-CG2 3.41Å; H421-T446 WeakPolarHBondContact CE1-CG2 3.22Å; H421-T446 PolarHBondContact N-OG1 3.29Å; H421-T446 PolarHBondContact NE2-OG1 3.46Å; H421-T446 PolarHBondContact O-N 3.46Å; H421-E448 IonicContact CD2-OE1 3.98Å; H421-E448 PolarHBondContact CD2-OE1 3.44Å; H421-E448 IonicContact NE2-OE1 2.95Å
422	Y	98.8	Very high	97.5	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.027	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-69.5	148.4	169.2	-57.8	-73.6	0	0	0	110.3	L377 D429 L433 S434 Q437 L439 M443 V444 I445	L377-Y422 HydrophobicContact CD1-CE1 4.35Å; L377-Y422 HydrophobicContact CD1-CE2 4.34Å; Y422-D429 WeakPolarHBondContact CB-O 3.22Å; Y422-D429 PolarHBondContact O-N 2.89Å; Y422-L433 HydrophobicContact CD2-CB 4.22Å; Y422-L433 HydrophobicContact CE2-CB 3.74Å; Y422-S434 PolarHBondContact OH-O 3.33Å; Y422-Q437 VanDerWaalsContact OH-CG 3.31Å; Y422-Q437 WeakPolarHBondContact OH-CG 3.37Å; Y422-Q437 PolarHBondContact OH-NE2 2.9Å; Y422-L439 HydrophobicContact CE1-CD2 4.1Å; Y422-M443 HydrophobicContact CE1-SD 3.94Å; Y422-V444 WeakPolarHBondContact CA-O 3.34Å; Y422-I445 HydrophobicContact CD1-CG2 3.64Å; Y422-I445 HydrophobicContact CE1-CG2 4.04Å; Y422-I445 HydrophobicContact CG-CG2 4.44Å
423	L	98.9	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.			trans	-131.9	145.8	-178.8	-171.3	71.6	0	0	0	110.3	K243 M251 V336 D338 V427 V444 T446 D474	K243-L423 WeakPolarHBondContact CE-O 3.21Å; K243-L423 PolarHBondContact NZ-O 2.93Å; M251-L423 HydrophobicContact CE-CB 4.16Å; M251-L423 HydrophobicContact CE-CD2 3.84Å; M251-L423 HydrophobicContact CE-CG 3.75Å; V336-L423 HydrophobicContact CG2-CD1 3.62Å; V336-L423 HydrophobicContact CG2-CG 4.24Å; D338-L423 HydrophobicContact CB-CD1 3.9Å; D338-L423 HydrophobicContact CB-CD2 4.35Å; L423-V427 VanDerWaalsContact CD1-O 3.29Å; L423-V427 WeakPolarHBondContact CD1-O 3.37Å; L423-V444 HydrophobicContact CB-CG1 4.28Å; L423-V444 HydrophobicContact CD2-CG1 4.48Å; L423-V444 PolarHBondContact N-O 2.99Å; L423-T446 HydrophobicContact CD2-CG2 4.35Å; L423-D474 HydrophobicContact CD2-CB 4.04Å; L423-D474 WeakPolarHBondContact CD2-OD1 3.36Å
424	G	98.8	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-178.6	-110.8	179	0	0	0	0	0	113.2	Y335 V336 D426 D429	Y335-G424 WeakPolarHBondContact CA-O 3.49Å; V336-G424 WeakPolarHBondContact CG2-O 3.35Å; V336-G424 PolarHBondContact N-O 3.05Å; G424-D426 PolarHBondContact N-O 3.26Å; G424-D429 WeakPolarHBondContact CA-OD2 3.5Å; G424-D429 PolarHBondContact N-OD2 2.86Å
425	M	98.7	Very high	97.3	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.034	18%	0.183	C	C	.	.	S	Bend	trans	-81.9	-21.6	175.7	-60.6	179.4	66	0	0	112.3	Q125 L128 Y129 G334 Y335	Q125-M425 HydrophobicContact CB-CB 4.17Å; Q125-M425 HydrophobicContact CB-CE 4.32Å; Q125-M425 HydrophobicContact CG-CB 4.13Å; Q125-M425 PolarHBondContact NE2-O 2.91Å; Q125-M425 VanDerWaalsContact OE1-CE 3.31Å; L128-M425 HydrophobicContact CB-CE 3.92Å; L128-M425 HydrophobicContact CD2-CE 3.77Å; L128-M425 HydrophobicContact CG-CE 3.8Å; Y129-M425 HydrophobicContact CD2-SD 3.7Å; Y129-M425 HydrophobicContact CG-SD 4.22Å; G334-M425 VanDerWaalsContact O-CA 3.23Å; G334-M425 WeakPolarHBondContact O-CA 3.41Å; G334-M425 VanDerWaalsContact O-CB 3.32Å; G334-M425 WeakPolarHBondContact O-CB 3.22Å; G334-M425 WeakPolarHBondContact O-CG 3.43Å; Y335-M425 HydrophobicContact CD1-CG 4.08Å; Y335-M425 HydrophobicContact CE1-CG 3.72Å; Y335-M425 HydrophobicContact CE2-CG 4.4Å
426	D	98.6	Very high	97.3	Very high	60 Å²	60	37.7 Å²	37.7	32%	0.321	21%	0.207	S	C	.	.	S	Bend	trans	-115.5	157.7	167.7	-68.7	-66.4	0	0	0	109	Q125 R240 V336 G424 D429	Q125-D426 WeakPolarHBondContact CG-OD1 3.4Å; R240-D426 IonicContact CZ-OD2 3.01Å; R240-D426 IonicContact NH1-OD2 3.62Å; R240-D426 IonicContact NH2-OD2 3.63Å; R240-D426 PolarHBondContact NH2-OD2 3.35Å; V336-D426 WeakPolarHBondContact CG2-O 3.37Å; G424-D426 PolarHBondContact N-O 3.26Å; D426-D429 WeakPolarHBondContact O-CB 3.39Å
427	V	98.4	Very high	97.2	Very high	25 Å²	25	36 Å²	36	15%	0.152	19%	0.192	C	C	.	.	S	Bend	trans	-63.8	-61.6	176.4	-178.9	0	0	0	0	109.8	A295 Y296 V336 D338 H421 L423 D429	A295-V427 HydrophobicContact CB-CG2 3.89Å; Y296-V427 HydrophobicContact CD1-CB 4.39Å; Y296-V427 HydrophobicContact CD1-CG1 4Å; Y296-V427 HydrophobicContact CD1-CG2 3.48Å; Y296-V427 VanDerWaalsContact CD1-CG2 3.48Å; Y296-V427 HydrophobicContact CE1-CG1 4.17Å; Y296-V427 HydrophobicContact CE1-CG2 4.19Å; Y296-V427 HydrophobicContact CG-CG2 4.31Å; V336-V427 HydrophobicContact CG2-CG2 4.2Å; D338-V427 WeakPolarHBondContact OD2-CG1 3.48Å; H421-V427 PolarHBondContact CE1-O 2.87Å; H421-V427 PolarHBondContact ND1-O 3.47Å; L423-V427 VanDerWaalsContact CD1-O 3.29Å; L423-V427 WeakPolarHBondContact CD1-O 3.37Å; V427-D429 VanDerWaalsContact C-N 3.29Å; V427-D429 PolarHBondContact O-N 2.83Å; V427-D429 VanDerWaalsContact O-N 3.1Å
428	H	98	Very high	97.2	Very high	117 Å²	117	38.2 Å²	38.2	54%	0.542	21%	0.209	S	C	.	.	S	Bend	trans	-84.8	73	166.6	-65.5	166.2	0	0	0	109.9	H421	H421-H428 AromaticContact CD2-CD2 3.46Å; H421-H428 PolarHBondContact CD2-CD2 2.91Å; H421-H428 VanDerWaalsContact CD2-CD2 3.46Å; H421-H428 AromaticContact CD2-NE2 3.68Å; H421-H428 AromaticContact CE1-CD2 3.56Å; H421-H428 AromaticContact CG-CD2 3.54Å; H421-H428 AromaticContact ND1-CD2 3.6Å; H421-H428 AromaticContact NE2-CD2 3.47Å; H421-H428 PolarHBondContact NE2-CD2 2.82Å; H421-H428 AromaticContact NE2-NE2 3.72Å
429	D	97.8	Very high	97.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.204	C	C	.	.			trans	-66.7	144	-173.5	-157.3	24.9	0	0	0	112.2	R240 K243 Y422 G424 D426 V427	R240-D429 IonicContact CZ-OD1 2.75Å; R240-D429 IonicContact NE-OD1 3.92Å; R240-D429 IonicContact NH2-OD1 3.98Å; R240-D429 PolarHBondContact NH2-OD1 2.85Å; K243-D429 IonicContact NZ-OD2 3.63Å; K243-D429 PolarHBondContact NZ-OD2 2.87Å; Y422-D429 WeakPolarHBondContact CB-O 3.22Å; Y422-D429 PolarHBondContact O-N 2.89Å; G424-D429 WeakPolarHBondContact CA-OD2 3.5Å; G424-D429 PolarHBondContact N-OD2 2.86Å; D426-D429 WeakPolarHBondContact O-CB 3.39Å; V427-D429 VanDerWaalsContact C-N 3.29Å; V427-D429 PolarHBondContact O-N 2.83Å; V427-D429 VanDerWaalsContact O-N 3.1Å
430	T	96.1	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	48.1	52	171.2	60.5	0	0	0	0	114.7	H237 R240 D432 L433	H237-T430 HydrophobicContact CB-CG2 3.84Å; H237-T430 VanDerWaalsContact O-CG2 3.28Å; H237-T430 WeakPolarHBondContact O-CG2 3.16Å; R240-T430 HydrophobicContact CB-CG2 3.74Å; T430-D432 PolarHBondContact O-N 3.09Å; T430-L433 HydrophobicContact CG2-CD1 4.31Å; T430-L433 WeakPolarHBondContact O-CB 3.19Å; T430-L433 PolarHBondContact O-N 2.95Å; T430-L433 WeakPolarHBondContact OG1-CD1 3.42Å
431	P	92.3	Very high	97.2	Very high	79 Å²	79	43 Å²	43	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.2	-164.5	27	-37.9	0	0	0	115.1	L433	P431-L433 VanDerWaalsContact C-N 3.32Å
432	D	89.8	Confident	97.1	Very high	92 Å²	92	43.2 Å²	43.2	49%	0.492	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-11	177.5	-48	-58.7	0	0	0	112.8	R233 H237 T430	R233-D432 IonicContact CZ-OD2 2.98Å; R233-D432 IonicContact NE-OD1 3.26Å; R233-D432 IonicContact NE-OD2 3.79Å; R233-D432 PolarHBondContact NE-OD2 2.52Å; R233-D432 IonicContact NH2-OD1 3.71Å; R233-D432 IonicContact NH2-OD2 2.77Å; H237-D432 IonicContact CE1-OD2 3.74Å; H237-D432 PolarHBondContact CE1-OD2 3.48Å; H237-D432 IonicContact ND1-OD2 3.31Å; H237-D432 PolarHBondContact ND1-OD2 2.89Å; T430-D432 PolarHBondContact O-N 3.09Å
433	L	94.2	Very high	97.1	Very high	29 Å²	29	43 Å²	43	15%	0.152	24%	0.24	C	C	.	.	S	Bend	trans	-74.4	130.5	174.6	-68.1	-180	0	0	0	110.4	A241 Y422 T430 P431 R435	A241-L433 HydrophobicContact CB-CD1 3.4Å; A241-L433 VanDerWaalsContact CB-CD1 3.4Å; Y422-L433 HydrophobicContact CD2-CB 4.22Å; Y422-L433 HydrophobicContact CE2-CB 3.74Å; T430-L433 HydrophobicContact CG2-CD1 4.31Å; T430-L433 WeakPolarHBondContact O-CB 3.19Å; T430-L433 PolarHBondContact O-N 2.95Å; T430-L433 WeakPolarHBondContact OG1-CD1 3.42Å; P431-L433 VanDerWaalsContact C-N 3.32Å; L433-R435 PolarHBondContact O-N 3.01Å
434	S	96.2	Very high	97.1	Very high	59 Å²	59	43 Å²	43	41%	0.413	24%	0.24	S	C	.	.			trans	-61.7	138.5	178.2	177.1	0	0	0	0	111.1	Y422 S436 Q437	Y422-S434 PolarHBondContact OH-O 3.33Å; S434-S436 PolarHBondContact O-N 2.89Å; S434-S436 WeakPolarHBondContact OG-CB 3.48Å; S434-S436 PolarHBondContact OG-N 3.2Å; S434-S436 PolarHBondContact OG-OG 3.18Å; S434-Q437 VanDerWaalsContact O-CG 3.24Å; S434-Q437 WeakPolarHBondContact O-CG 3.49Å
435	R	97.6	Very high	97.1	Very high	97 Å²	97	43 Å²	43	37%	0.366	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.5	168.8	-67.8	-179	178.4	157.3	-2.7	112.9	S376 L377 D378 L433	S376-R435 WeakPolarHBondContact CB-O 3.38Å; L377-R435 HydrophobicContact CB-CB 3.9Å; L377-R435 HydrophobicContact CB-CG 4.29Å; L377-R435 WeakPolarHBondContact CB-O 3.13Å; L377-R435 HydrophobicContact CD1-CG 4.09Å; L377-R435 PolarHBondContact N-O 3.31Å; D378-R435 PolarHBondContact N-O 3.4Å; D378-R435 VanDerWaalsContact OD1-CB 3.28Å; D378-R435 WeakPolarHBondContact OD1-CB 3.46Å; L433-R435 PolarHBondContact O-N 3.01Å
436	S	97.8	Very high	97.1	Very high	71 Å²	71	42.7 Å²	42.7	50%	0.497	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.1	175.6	-36.8	0	0	0	0	112.9	S376 D378 S434	S376-S436 WeakPolarHBondContact CB-O 3.24Å; D378-S436 WeakPolarHBondContact OD2-CA 3.36Å; D378-S436 WeakPolarHBondContact OD2-CB 3.23Å; D378-S436 PolarHBondContact OD2-N 3.3Å; D378-S436 PolarHBondContact OD2-OG 3.43Å; S434-S436 PolarHBondContact O-N 2.89Å; S434-S436 WeakPolarHBondContact OG-CB 3.48Å; S434-S436 PolarHBondContact OG-N 3.2Å; S434-S436 PolarHBondContact OG-OG 3.18Å
437	Q	95.8	Very high	97.2	Very high	48 Å²	48	39.9 Å²	39.9	22%	0.224	22%	0.223	C	C	.	.	S	Bend	trans	-68.6	145.8	179.9	80.6	-169.9	-4.6	0	0	110.8	S376 Y422 S434 L439	S376-Q437 VanDerWaalsContact CB-O 3.31Å; S376-Q437 WeakPolarHBondContact CB-O 3.3Å; Y422-Q437 VanDerWaalsContact OH-CG 3.31Å; Y422-Q437 WeakPolarHBondContact OH-CG 3.37Å; Y422-Q437 PolarHBondContact OH-NE2 2.9Å; S434-Q437 VanDerWaalsContact O-CG 3.24Å; S434-Q437 WeakPolarHBondContact O-CG 3.49Å; Q437-L439 PolarHBondContact O-N 3.38Å
438	P	98	Very high	97.2	Very high	76 Å²	76	39.8 Å²	39.8	49%	0.494	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-62.3	131.2	175.1	-21.6	33	0	0	0	111.3
439	L	98.4	Very high	97.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-62.5	143.9	172.9	-68.3	169.2	0	0	0	110.1	P373 G374 V375 I380 Y422 Q437 M443 I445 I477	P373-L439 WeakPolarHBondContact CA-O 3.41Å; G374-L439 PolarHBondContact N-O 2.97Å; V375-L439 WeakPolarHBondContact O-CB 3.19Å; V375-L439 WeakPolarHBondContact O-CD1 3.46Å; V375-L439 WeakPolarHBondContact O-CG 3.38Å; V375-L439 PolarHBondContact O-N 2.96Å; I380-L439 HydrophobicContact CD1-CD1 4.05Å; Y422-L439 HydrophobicContact CE1-CD2 4.1Å; Q437-L439 PolarHBondContact O-N 3.38Å; L439-M443 HydrophobicContact CB-SD 4.45Å; L439-M443 HydrophobicContact CD2-CB 4.49Å; L439-M443 HydrophobicContact CD2-SD 3.87Å; L439-I445 HydrophobicContact CD1-CD1 3.81Å; L439-I445 HydrophobicContact CD2-CD1 4.3Å; L439-I445 HydrophobicContact CD2-CG2 3.98Å; L439-I477 HydrophobicContact CB-CG1 4.22Å; L439-I477 HydrophobicContact CB-CG2 4.49Å; L439-I477 HydrophobicContact CD1-CD1 3.94Å; L439-I477 HydrophobicContact CD1-CG1 4.34Å; L439-I477 HydrophobicContact CD2-CG1 4.46Å
440	Q	98.4	Very high	97.3	Very high	69 Å²	69	34 Å²	34	32%	0.322	20%	0.195	S	C	.	.			trans	-124.9	153.2	-178.5	-68.8	177	66.3	0	0	110.7	I242 G442 M443 I477	I242-Q440 HydrophobicContact CD1-CB 4Å; Q440-G442 PolarHBondContact O-N 3.18Å; Q440-M443 HydrophobicContact CB-CE 4.19Å; Q440-M443 HydrophobicContact CB-CG 4.36Å; Q440-M443 HydrophobicContact CB-SD 4.27Å; Q440-M443 HydrophobicContact CG-CE 4.37Å; Q440-M443 PolarHBondContact N-SD 3.37Å; Q440-M443 VanDerWaalsContact N-SD 3.36Å; Q440-M443 WeakPolarHBondContact O-CB 3.41Å; Q440-M443 WeakPolarHBondContact O-CG 3.02Å; Q440-M443 PolarHBondContact O-N 3.45Å; Q440-I477 WeakPolarHBondContact O-CB 3.41Å
441	P	98.8	Very high	97.4	Very high	54 Å²	54	34 Å²	34	35%	0.351	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	134.5	173.8	-25.8	36.2	0	0	0	111.7	P373 M443 I477 E479	P373-P441 HydrophobicContact CG-CG 3.98Å; P441-M443 VanDerWaalsContact C-N 3.34Å; P441-I477 WeakPolarHBondContact CA-O 3.18Å; P441-E479 HydrophobicContact CB-CB 4.24Å; P441-E479 HydrophobicContact CG-CB 4.06Å; P441-E479 HydrophobicContact CG-CG 4.33Å
442	G	98.3	Very high	97.7	Very high	13 Å²	13	31 Å²	31	13%	0.134	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-9	-175.9	0	0	0	0	0	114.7	K243 Q440 I477	K243-G442 WeakPolarHBondContact CB-O 3.27Å; K243-G442 PolarHBondContact N-O 3.29Å; Q440-G442 PolarHBondContact O-N 3.18Å; G442-I477 PolarHBondContact N-O 3.16Å
443	M	98.8	Very high	98.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.015	15%	0.15	C	C	.	.			trans	-65.8	144.4	165.2	-70.2	-175.1	170.5	0	0	110.3	A241 I242 Y422 L439 Q440 P441 V476 I477	A241-M443 HydrophobicContact CB-CE 4.47Å; A241-M443 WeakPolarHBondContact O-CA 3.38Å; I242-M443 HydrophobicContact CD1-CE 3.74Å; I242-M443 HydrophobicContact CD1-CG 3.49Å; I242-M443 VanDerWaalsContact CD1-CG 3.49Å; I242-M443 HydrophobicContact CD1-SD 4.43Å; Y422-M443 HydrophobicContact CE1-SD 3.94Å; L439-M443 HydrophobicContact CB-SD 4.45Å; L439-M443 HydrophobicContact CD2-CB 4.49Å; L439-M443 HydrophobicContact CD2-SD 3.87Å; Q440-M443 HydrophobicContact CB-CE 4.19Å; Q440-M443 HydrophobicContact CB-CG 4.36Å; Q440-M443 HydrophobicContact CB-SD 4.27Å; Q440-M443 HydrophobicContact CG-CE 4.37Å; Q440-M443 PolarHBondContact N-SD 3.37Å; Q440-M443 VanDerWaalsContact N-SD 3.36Å; Q440-M443 WeakPolarHBondContact O-CB 3.41Å; Q440-M443 WeakPolarHBondContact O-CG 3.02Å; Q440-M443 PolarHBondContact O-N 3.45Å; P441-M443 VanDerWaalsContact C-N 3.34Å; M443-V476 WeakPolarHBondContact O-CA 3.38Å; M443-I477 HydrophobicContact CB-CG1 4.13Å; M443-I477 PolarHBondContact O-N 2.94Å
444	V	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.7	173.3	-168.4	0	0	0	0	108.6	K243 M251 Y422 L423 V475 V476 L486	K243-V444 HydrophobicContact CB-CG2 4.34Å; K243-V444 HydrophobicContact CD-CG2 3.91Å; K243-V444 HydrophobicContact CG-CG2 3.9Å; M251-V444 HydrophobicContact CE-CB 3.96Å; M251-V444 HydrophobicContact CE-CG1 3.55Å; M251-V444 HydrophobicContact CE-CG2 4.26Å; M251-V444 HydrophobicContact SD-CB 4.17Å; M251-V444 HydrophobicContact SD-CG1 4.2Å; M251-V444 HydrophobicContact SD-CG2 3.82Å; Y422-V444 WeakPolarHBondContact CA-O 3.34Å; L423-V444 HydrophobicContact CB-CG1 4.28Å; L423-V444 HydrophobicContact CD2-CG1 4.48Å; L423-V444 PolarHBondContact N-O 2.99Å; V444-V475 VanDerWaalsContact CA-O 3.26Å; V444-V475 WeakPolarHBondContact CA-O 3.29Å; V444-V475 WeakPolarHBondContact CG1-O 3.18Å; V444-V476 HydrophobicContact CG1-CG2 4.26Å; V444-V476 HydrophobicContact CG2-CB 4.31Å; V444-V476 HydrophobicContact CG2-CG1 4.17Å; V444-V476 HydrophobicContact CG2-CG2 3.82Å; V444-L486 HydrophobicContact CG1-CD1 3.94Å
445	I	98.9	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	160.1	-179	61.5	175.7	0	0	0	110.6	L377 I380 H421 Y422 L439 I447 V475 I477	L377-I445 HydrophobicContact CD1-CG2 4.04Å; L377-I445 HydrophobicContact CD2-CB 4.39Å; L377-I445 HydrophobicContact CD2-CD1 3.89Å; L377-I445 HydrophobicContact CD2-CG2 4.45Å; L377-I445 HydrophobicContact CG-CD1 4.39Å; L377-I445 HydrophobicContact CG-CG2 4.32Å; I380-I445 HydrophobicContact CD1-CD1 4.41Å; H421-I445 CarbonylContact O-C 3.6Å; H421-I445 WeakPolarHBondContact O-CA 3.23Å; H421-I445 VanDerWaalsContact O-CB 3.28Å; H421-I445 WeakPolarHBondContact O-CB 3.34Å; Y422-I445 HydrophobicContact CD1-CG2 3.64Å; Y422-I445 HydrophobicContact CE1-CG2 4.04Å; Y422-I445 HydrophobicContact CG-CG2 4.44Å; L439-I445 HydrophobicContact CD1-CD1 3.81Å; L439-I445 HydrophobicContact CD2-CD1 4.3Å; L439-I445 HydrophobicContact CD2-CG2 3.98Å; I445-I447 HydrophobicContact CD1-CD1 4.16Å; I445-V475 HydrophobicContact CD1-CG2 4.15Å; I445-V475 HydrophobicContact CG1-CG2 3.45Å; I445-V475 VanDerWaalsContact CG1-CG2 3.45Å; I445-V475 PolarHBondContact N-O 2.91Å; I445-V475 WeakPolarHBondContact O-CG2 3.33Å; I445-V475 PolarHBondContact O-N 3.01Å; I445-I477 HydrophobicContact CD1-CD1 4.23Å; I445-I477 HydrophobicContact CG1-CD1 4.49Å
446	T	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	155.8	165.2	58.4	0	0	0	0	111	D338 G420 H421 L423 E472 D473	D338-T446 HydrophobicContact CB-CG2 3.8Å; G420-T446 WeakPolarHBondContact CA-O 3.47Å; G420-T446 VanDerWaalsContact CA-OG1 3.23Å; G420-T446 WeakPolarHBondContact CA-OG1 3.37Å; H421-T446 PolarHBondContact CD2-OG1 3.42Å; H421-T446 VanDerWaalsContact CD2-OG1 3.28Å; H421-T446 VanDerWaalsContact CE1-CG2 3.41Å; H421-T446 WeakPolarHBondContact CE1-CG2 3.22Å; H421-T446 PolarHBondContact N-OG1 3.29Å; H421-T446 PolarHBondContact NE2-OG1 3.46Å; H421-T446 PolarHBondContact O-N 3.46Å; L423-T446 HydrophobicContact CD2-CG2 4.35Å; T446-E472 WeakPolarHBondContact CB-OE1 3.44Å; T446-D473 CarbonylContact C-O 3.51Å; T446-D473 WeakPolarHBondContact CA-O 3.46Å
447	I	98.9	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	103.8	167.5	-62.8	-66.5	0	0	0	108.9	Q364 C367 L368 C371 I380 V419 I445 E472 D473 V475	Q364-I447 HydrophobicContact CG-CG2 4.35Å; C367-I447 HydrophobicContact CB-CG2 3.58Å; L368-I447 HydrophobicContact CD2-CB 3.97Å; L368-I447 HydrophobicContact CD2-CG1 4.03Å; L368-I447 HydrophobicContact CD2-CG2 4.25Å; L368-I447 HydrophobicContact CG-CG2 4.25Å; C371-I447 VanDerWaalsContact SG-CD1 3.59Å; I380-I447 HydrophobicContact CD1-CD1 4.42Å; I380-I447 HydrophobicContact CG2-CD1 4.02Å; V419-I447 HydrophobicContact CG2-CD1 4.42Å; V419-I447 HydrophobicContact CG2-CG2 4.45Å; V419-I447 CarbonylContact O-C 3.49Å; V419-I447 WeakPolarHBondContact O-CA 3.47Å; I445-I447 HydrophobicContact CD1-CD1 4.16Å; I447-E472 VanDerWaalsContact O-CA 3.26Å; I447-E472 WeakPolarHBondContact O-CA 3.28Å; I447-D473 PolarHBondContact N-O 3.04Å; I447-D473 PolarHBondContact O-N 2.9Å; I447-D473 VanDerWaalsContact O-N 3.12Å; I447-V475 HydrophobicContact CG1-CG2 4.05Å
448	E	98.9	Very high	97.9	Very high	23 Å²	23	32.9 Å²	32.9	11%	0.107	18%	0.181	C	C	.	.			trans	-132	46.2	-159.5	54.9	161.9	138	0	0	114.8	H417 V419 G420 H421 I471 E472	H417-E448 PolarHBondContact CE1-O 3.08Å; H417-E448 IonicContact CE1-OE2 3.45Å; H417-E448 IonicContact ND1-OE2 2.8Å; V419-E448 VanDerWaalsContact O-CG 3.29Å; V419-E448 WeakPolarHBondContact O-CG 3.4Å; V419-E448 PolarHBondContact O-N 3.4Å; G420-E448 WeakPolarHBondContact CA-OE1 3.36Å; H421-E448 IonicContact CD2-OE1 3.98Å; H421-E448 PolarHBondContact CD2-OE1 3.44Å; H421-E448 IonicContact NE2-OE1 2.95Å; E448-I471 WeakPolarHBondContact CA-O 3.44Å; E448-E472 HydrophobicContact CB-CB 3.6Å; E448-E472 HydrophobicContact CB-CG 3.64Å; E448-E472 WeakPolarHBondContact CB-OE1 3.48Å
449	P	98.9	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.			trans	-59.6	149.3	178.4	29.1	-37.1	0	0	0	112.4	V360 V363 Q364 M384 I471	V360-P449 HydrophobicContact CG1-CG 4.39Å; V360-P449 VanDerWaalsContact CG1-O 3.32Å; V360-P449 WeakPolarHBondContact CG1-O 3.35Å; V363-P449 HydrophobicContact CG1-CB 4Å; V363-P449 HydrophobicContact CG1-CG 4.36Å; Q364-P449 HydrophobicContact CB-CG 3.51Å; Q364-P449 HydrophobicContact CG-CG 3.75Å; M384-P449 HydrophobicContact CG-CB 3.96Å; M384-P449 HydrophobicContact SD-CB 3.69Å; P449-I471 WeakPolarHBondContact CD-O 3.37Å; P449-I471 PolarHBondContact O-N 3.19Å
450	G	98.8	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	165.4	173.7	0	0	0	0	0	114	C415 V469	C415-G450 VanDerWaalsContact CB-O 3.23Å; C415-G450 WeakPolarHBondContact CB-O 3.48Å; C415-G450 PolarHBondContact SG-O 3Å; C415-G450 VanDerWaalsContact SG-O 3.4Å; G450-V469 CarbonylContact C-O 3.59Å; G450-V469 WeakPolarHBondContact CA-O 3.38Å
451	L	98.8	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127.5	169.6	-76.6	176.4	0	0	0	108.8	L356 V360 L388 L392 L395 F414 G468 V469	L356-L451 HydrophobicContact CD1-CB 4.05Å; L356-L451 HydrophobicContact CD1-CD1 3.67Å; V360-L451 HydrophobicContact CG2-CB 3.94Å; V360-L451 HydrophobicContact CG2-CD1 3.9Å; V360-L451 HydrophobicContact CG2-CG 3.88Å; L388-L451 HydrophobicContact CD2-CD1 4.28Å; L388-L451 HydrophobicContact CD2-CD2 3.94Å; L388-L451 HydrophobicContact CD2-CG 3.9Å; L392-L451 HydrophobicContact CD2-CD1 4.47Å; L392-L451 HydrophobicContact CD2-CD2 3.93Å; L392-L451 HydrophobicContact CG-CD2 4.35Å; L395-L451 HydrophobicContact CD1-CD1 4.39Å; F414-L451 HydrophobicContact CB-CD2 3.79Å; L451-G468 WeakPolarHBondContact O-CA 3.49Å; L451-V469 PolarHBondContact N-O 2.81Å; L451-V469 PolarHBondContact O-N 3.43Å
452	Y	98.7	Very high	97.1	Very high	15 Å²	15	38.6 Å²	38.6	6%	0.059	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.5	-177.4	-50.7	-79.4	0	0	0	109.9	A306 N307 L309 L325 F414 H417 R470	A306-Y452 VanDerWaalsContact O-CD1 3.3Å; A306-Y452 WeakPolarHBondContact O-CD1 3.48Å; N307-Y452 VanDerWaalsContact OD1-C 3.28Å; N307-Y452 WeakPolarHBondContact OD1-CA 3.1Å; N307-Y452 WeakPolarHBondContact OD1-CB 3.19Å; L309-Y452 HydrophobicContact CD2-CD1 3.99Å; L309-Y452 HydrophobicContact CD2-CD2 3.9Å; L309-Y452 HydrophobicContact CD2-CE1 3.56Å; L309-Y452 HydrophobicContact CD2-CE2 3.52Å; L309-Y452 HydrophobicContact CD2-CG 4.14Å; L325-Y452 HydrophobicContact CD1-CE1 4.17Å; F414-Y452 WeakPolarHBondContact CD1-O 3.43Å; F414-Y452 VanDerWaalsContact O-CD2 3.25Å; F414-Y452 WeakPolarHBondContact O-CD2 3.41Å; F414-Y452 PolarHBondContact O-N 3Å; H417-Y452 AromaticContact CD2-CE2 3.6Å; H417-Y452 AromaticContact CD2-CZ 3.96Å; H417-Y452 PolarHBondContact CD2-OH 3.38Å; H417-Y452 AromaticContact NE2-CE2 3.2Å; H417-Y452 WeakPolarHBondContact NE2-CE2 3.48Å; H417-Y452 AromaticContact NE2-CZ 3.42Å; H417-Y452 PolarHBondContact NE2-OH 2.93Å; Y452-R470 WeakPolarHBondContact OH-CD 3.34Å; Y452-R470 PolarHBondContact OH-NH1 3.45Å
453	I	98.5	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.			trans	-120.7	93.4	-175.8	-52.2	173.2	0	0	0	107.2	N307 L356 I397 F414 N457 A460 F464 G466 L467	N307-I453 PolarHBondContact ND2-O 3.02Å; N307-I453 VanDerWaalsContact ND2-O 3.13Å; N307-I453 PolarHBondContact OD1-N 3.47Å; L356-I453 HydrophobicContact CD1-CD1 3.9Å; L356-I453 HydrophobicContact CD2-CD1 4.06Å; I397-I453 HydrophobicContact CD1-CD1 3.58Å; F414-I453 HydrophobicContact CD1-CG1 4.02Å; F414-I453 HydrophobicContact CE1-CG1 4.07Å; I453-N457 HydrophobicContact CG2-CB 4.48Å; I453-A460 HydrophobicContact CG2-CB 3.56Å; I453-F464 WeakPolarHBondContact CB-O 3.25Å; I453-F464 HydrophobicContact CD1-CB 3.74Å; I453-F464 HydrophobicContact CD1-CG 4.36Å; I453-F464 HydrophobicContact CG2-CB 4.46Å; I453-F464 WeakPolarHBondContact CG2-O 3.37Å; I453-G466 CarbonylContact O-C 3.53Å; I453-G466 VanDerWaalsContact O-CA 3.28Å; I453-G466 WeakPolarHBondContact O-CA 3.45Å; I453-G466 PolarHBondContact O-N 2.8Å; I453-L467 PolarHBondContact N-O 3.12Å; I453-L467 PolarHBondContact O-N 3.01Å
454	C	97.3	Very high	97	Very high	49 Å²	49	43.1 Å²	43.1	33%	0.331	22%	0.217	S	C	.	.			trans	-56.4	147.6	178.4	-58.2	0	0	0	0	111.8	D456 N457	C454-D456 WeakPolarHBondContact CB-OD1 3.37Å; C454-D456 PolarHBondContact O-N 3.45Å; C454-N457 VanDerWaalsContact O-CB 3.23Å; C454-N457 WeakPolarHBondContact O-CB 3.25Å; C454-N457 PolarHBondContact O-N 2.93Å
455	E	97.4	Very high	97	Very high	129 Å²	129	47.4 Å²	47.4	60%	0.603	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.8	-179.6	71.2	-171	139.4	0	0	114	N304 N457	N304-E455 HydrophobicContact CB-CB 4.37Å; N304-E455 WeakPolarHBondContact ND2-CG 3.47Å; N304-E455 PolarHBondContact ND2-OE1 3.34Å; N304-E455 PolarHBondContact OD1-N 3.45Å; E455-N457 VanDerWaalsContact C-N 3.34Å
456	D	96.1	Very high	97	Very high	131 Å²	131	47.9 Å²	47.9	70%	0.701	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	3.4	179.9	67.9	-21.1	0	0	0	113.6	C454 D458	C454-D456 WeakPolarHBondContact CB-OD1 3.37Å; C454-D456 PolarHBondContact O-N 3.45Å; D456-D458 PolarHBondContact O-N 3.45Å
457	N	94.4	Very high	97	Very high	17 Å²	17	48.9 Å²	48.9	9%	0.091	24%	0.243	C	C	.	.			trans	-77.7	84.7	179.6	-168.3	-9.3	0	0	0	111.4	F414 I453 C454 E455 Q459 A460 R465	F414-N457 VanDerWaalsContact CE1-ND2 3.33Å; F414-N457 WeakPolarHBondContact CE1-ND2 3.34Å; I453-N457 HydrophobicContact CG2-CB 4.48Å; C454-N457 VanDerWaalsContact O-CB 3.23Å; C454-N457 WeakPolarHBondContact O-CB 3.25Å; C454-N457 PolarHBondContact O-N 2.93Å; E455-N457 VanDerWaalsContact C-N 3.34Å; N457-Q459 PolarHBondContact O-N 2.92Å; N457-Q459 VanDerWaalsContact O-N 3.13Å; N457-Q459 WeakPolarHBondContact OD1-CB 3.46Å; N457-Q459 PolarHBondContact OD1-N 3Å; N457-A460 PolarHBondContact O-N 2.82Å; N457-A460 VanDerWaalsContact O-N 3.08Å; N457-R465 PolarHBondContact O-NE 3.32Å
458	D	92	Very high	97	Very high	110 Å²	110	49 Å²	49	59%	0.588	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.5	-179.9	69.7	-7.5	0	0	0	114.6	D456 A460 R465	D456-D458 PolarHBondContact O-N 3.45Å; D458-A460 VanDerWaalsContact C-N 3.33Å; D458-R465 PolarHBondContact O-NH2 2.64Å; D458-R465 VanDerWaalsContact O-NH2 3.15Å
459	Q	86.4	Confident	97	Very high	131 Å²	131	47.9 Å²	47.9	61%	0.612	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-16.5	176.8	-54.6	-57.1	-60.4	0	0	113.2	N457	N457-Q459 PolarHBondContact O-N 2.92Å; N457-Q459 VanDerWaalsContact O-N 3.13Å; N457-Q459 WeakPolarHBondContact OD1-CB 3.46Å; N457-Q459 PolarHBondContact OD1-N 3Å
460	A	95.2	Very high	97	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	24%	0.24	C	C	.	.	S	Bend	trans	-92.4	149.6	176.4	0	0	0	0	0	111.2	I453 N457 D458 E462 R465	I453-A460 HydrophobicContact CG2-CB 3.56Å; N457-A460 PolarHBondContact O-N 2.82Å; N457-A460 VanDerWaalsContact O-N 3.08Å; D458-A460 VanDerWaalsContact C-N 3.33Å; A460-E462 PolarHBondContact O-N 3.07Å; A460-R465 HydrophobicContact CB-CG 4.47Å; A460-R465 PolarHBondContact O-NE 3.02Å; A460-R465 PolarHBondContact O-NH2 2.7Å
461	P	97.4	Very high	97	Very high	33 Å²	33	48.2 Å²	48.2	21%	0.214	24%	0.24	C	C	.	.			trans	-52.2	136.9	168.5	-24.6	32.9	0	0	0	111.4	I397 H463 F464	I397-P461 HydrophobicContact CG1-CG 4.5Å; P461-H463 VanDerWaalsContact CB-CE1 3.44Å; P461-H463 WeakPolarHBondContact CB-CE1 3.03Å; P461-H463 PolarHBondContact O-N 3.33Å; P461-H463 VanDerWaalsContact O-N 3.14Å; P461-F464 HydrophobicContact CB-CD2 3.9Å; P461-F464 HydrophobicContact CB-CE2 4.41Å; P461-F464 HydrophobicContact CG-CD2 3.95Å; P461-F464 HydrophobicContact CG-CE2 4.31Å; P461-F464 PolarHBondContact O-N 2.93Å
462	E	97.6	Very high	97	Very high	154 Å²	154	48.3 Å²	48.3	72%	0.72	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-54.6	-38.1	-171.5	-173	175.6	-173.5	0	0	113.2	A460 F464 R465	A460-E462 PolarHBondContact O-N 3.07Å; E462-F464 PolarHBondContact O-N 3.07Å; E462-R465 WeakPolarHBondContact O-CB 3.34Å; E462-R465 PolarHBondContact O-N 3.24Å; E462-R465 VanDerWaalsContact O-N 3.15Å
463	H	97.3	Very high	97	Very high	110 Å²	110	47.6 Å²	47.6	51%	0.509	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-69.7	-11.3	-179.5	57.4	-97.7	0	0	0	114.7	A352 P461	A352-H463 HydrophobicContact CB-CB 4.05Å; A352-H463 WeakPolarHBondContact CB-O 3.47Å; P461-H463 VanDerWaalsContact CB-CE1 3.44Å; P461-H463 WeakPolarHBondContact CB-CE1 3.03Å; P461-H463 PolarHBondContact O-N 3.33Å; P461-H463 VanDerWaalsContact O-N 3.14Å
464	F	98.5	Very high	97	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-99.8	-11.7	173	-67.5	-53.9	0	0	0	113.6	A352 E355 L356 L395 I397 I453 P461 E462 G466 L467	A352-F464 HydrophobicContact CB-CD1 4.35Å; A352-F464 HydrophobicContact CB-CE1 4.27Å; A352-F464 WeakPolarHBondContact O-CE1 3.47Å; E355-F464 HydrophobicContact CB-CE1 4.35Å; E355-F464 HydrophobicContact CB-CZ 4.46Å; L356-F464 HydrophobicContact CB-CD1 4.1Å; L356-F464 HydrophobicContact CB-CE1 4.04Å; L395-F464 HydrophobicContact CB-CE2 4.1Å; L395-F464 HydrophobicContact CB-CZ 4.3Å; L395-F464 HydrophobicContact CD2-CE1 4.43Å; L395-F464 HydrophobicContact CD2-CE2 4.49Å; L395-F464 HydrophobicContact CD2-CZ 3.86Å; L395-F464 WeakPolarHBondContact O-CE2 3.35Å; I397-F464 HydrophobicContact CD1-CD2 4.27Å; I397-F464 HydrophobicContact CG1-CD2 4.1Å; I453-F464 WeakPolarHBondContact CB-O 3.25Å; I453-F464 HydrophobicContact CD1-CB 3.74Å; I453-F464 HydrophobicContact CD1-CG 4.36Å; I453-F464 HydrophobicContact CG2-CB 4.46Å; I453-F464 WeakPolarHBondContact CG2-O 3.37Å; P461-F464 HydrophobicContact CB-CD2 3.9Å; P461-F464 HydrophobicContact CB-CE2 4.41Å; P461-F464 HydrophobicContact CG-CD2 3.95Å; P461-F464 HydrophobicContact CG-CE2 4.31Å; P461-F464 PolarHBondContact O-N 2.93Å; E462-F464 PolarHBondContact O-N 3.07Å; F464-G466 PolarHBondContact O-N 3Å; F464-L467 HydrophobicContact CD1-CD1 4.19Å; F464-L467 WeakPolarHBondContact O-CB 3.38Å; F464-L467 WeakPolarHBondContact O-CG 3.45Å; F464-L467 PolarHBondContact O-N 2.75Å
465	R	98.4	Very high	97.1	Very high	91 Å²	91	45.3 Å²	45.3	34%	0.343	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	134.4	-176.5	-64.1	-179.5	-168.2	161.3	0.6	110.2	N457 D458 A460 E462 L467	N457-R465 PolarHBondContact O-NE 3.32Å; D458-R465 PolarHBondContact O-NH2 2.64Å; D458-R465 VanDerWaalsContact O-NH2 3.15Å; A460-R465 HydrophobicContact CB-CG 4.47Å; A460-R465 PolarHBondContact O-NE 3.02Å; A460-R465 PolarHBondContact O-NH2 2.7Å; E462-R465 WeakPolarHBondContact O-CB 3.34Å; E462-R465 PolarHBondContact O-N 3.24Å; E462-R465 VanDerWaalsContact O-N 3.15Å; R465-L467 VanDerWaalsContact C-N 3.33Å
466	G	98.2	Very high	97.2	Very high	9 Å²	9	39.5 Å²	39.5	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-1.4	-176	0	0	0	0	0	114.5	G303 N304 I453 F464	G303-G466 CarbonylContact C-O 3.35Å; N304-G466 VanDerWaalsContact CA-O 3.27Å; N304-G466 WeakPolarHBondContact CA-O 3.26Å; N304-G466 PolarHBondContact N-O 2.83Å; I453-G466 CarbonylContact O-C 3.53Å; I453-G466 VanDerWaalsContact O-CA 3.28Å; I453-G466 WeakPolarHBondContact O-CA 3.45Å; I453-G466 PolarHBondContact O-N 2.8Å; F464-G466 PolarHBondContact O-N 3Å
467	L	98.8	Very high	97.3	Very high	22 Å²	22	33.4 Å²	33.4	12%	0.115	16%	0.163	C	C	.	.			trans	-89.7	130.3	177.4	-57.3	-175.8	0	0	0	111.5	N307 L323 Q353 L356 I453 F464 R465	N307-L467 PolarHBondContact OD1-O 2.82Å; L323-L467 HydrophobicContact CD1-CD2 4.22Å; Q353-L467 HydrophobicContact CG-CD1 4.19Å; Q353-L467 HydrophobicContact CG-CD2 4.06Å; L356-L467 HydrophobicContact CD2-CB 3.5Å; L356-L467 HydrophobicContact CD2-CD1 4.01Å; L356-L467 HydrophobicContact CD2-CG 4.43Å; I453-L467 PolarHBondContact N-O 3.12Å; I453-L467 PolarHBondContact O-N 3.01Å; F464-L467 HydrophobicContact CD1-CD1 4.19Å; F464-L467 WeakPolarHBondContact O-CB 3.38Å; F464-L467 WeakPolarHBondContact O-CG 3.45Å; F464-L467 PolarHBondContact O-N 2.75Å; R465-L467 VanDerWaalsContact C-N 3.33Å
468	G	98.8	Very high	97.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.9	168.8	0	0	0	0	0	110.2	N307 L451	N307-G468 WeakPolarHBondContact OD1-CA 3.3Å; L451-G468 WeakPolarHBondContact O-CA 3.49Å
469	V	98.9	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.5	179.7	178.9	0	0	0	0	109.5	L323 T342 L356 Y357 V360 G450 L451 I471	L323-V469 HydrophobicContact CD1-CG2 4Å; T342-V469 HydrophobicContact CG2-CG2 4.21Å; L356-V469 HydrophobicContact CD2-CG2 3.98Å; L356-V469 HydrophobicContact CG-CG2 4.16Å; Y357-V469 HydrophobicContact CD2-CG1 3.8Å; Y357-V469 HydrophobicContact CE2-CG1 4.4Å; V360-V469 HydrophobicContact CB-CG1 4.04Å; V360-V469 HydrophobicContact CG1-CG1 4.21Å; V360-V469 HydrophobicContact CG2-CB 4.17Å; V360-V469 HydrophobicContact CG2-CG1 4.05Å; G450-V469 CarbonylContact C-O 3.59Å; G450-V469 WeakPolarHBondContact CA-O 3.38Å; L451-V469 PolarHBondContact N-O 2.81Å; L451-V469 PolarHBondContact O-N 3.43Å; V469-I471 HydrophobicContact CG1-CD1 4.49Å; V469-I471 HydrophobicContact CG1-CG1 4.23Å
470	R	98.9	Very high	97.9	Very high	8 Å²	8	41.9 Å²	41.9	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.8	166.2	178.8	169	65.3	-105.5	12.4	108.9	L325 D327 T340 T342 Y452	L325-R470 HydrophobicContact CD1-CB 3.86Å; D327-R470 VanDerWaalsContact CB-NH2 3.34Å; D327-R470 IonicContact OD2-CZ 3.55Å; D327-R470 IonicContact OD2-NE 3.71Å; D327-R470 IonicContact OD2-NH2 3.59Å; D327-R470 PolarHBondContact OD2-NH2 2.91Å; T340-R470 HydrophobicContact CG2-CB 3.79Å; T340-R470 HydrophobicContact CG2-CG 3.87Å; T340-R470 PolarHBondContact OG1-NE 3.26Å; T340-R470 VanDerWaalsContact OG1-NE 3.1Å; T342-R470 PolarHBondContact OG1-N 3.37Å; T342-R470 PolarHBondContact OG1-O 2.96Å; Y452-R470 WeakPolarHBondContact OH-CD 3.34Å; Y452-R470 PolarHBondContact OH-NH1 3.45Å
471	I	98.9	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.			trans	-131.1	119.9	177.4	-57	174.6	0	0	0	107.4	Y357 V360 L361 Q364 E448 P449 V469 K492	Y357-I471 HydrophobicContact CD1-CD1 4.43Å; Y357-I471 HydrophobicContact CD2-CD1 4.17Å; Y357-I471 HydrophobicContact CE1-CD1 4.01Å; Y357-I471 HydrophobicContact CE2-CD1 3.71Å; Y357-I471 HydrophobicContact CE2-CG1 4.06Å; V360-I471 HydrophobicContact CB-CD1 4.38Å; V360-I471 HydrophobicContact CG1-CB 4.37Å; V360-I471 HydrophobicContact CG1-CD1 4.15Å; V360-I471 HydrophobicContact CG1-CG1 4.1Å; L361-I471 HydrophobicContact CB-CD1 3.76Å; L361-I471 HydrophobicContact CD1-CD1 4.15Å; Q364-I471 HydrophobicContact CG-CB 4.37Å; Q364-I471 HydrophobicContact CG-CG2 4.15Å; Q364-I471 WeakPolarHBondContact CG-O 3.48Å; E448-I471 WeakPolarHBondContact CA-O 3.44Å; P449-I471 WeakPolarHBondContact CD-O 3.37Å; P449-I471 PolarHBondContact O-N 3.19Å; V469-I471 HydrophobicContact CG1-CD1 4.49Å; V469-I471 HydrophobicContact CG1-CG1 4.23Å; I471-K492 HydrophobicContact CG2-CB 4.27Å; I471-K492 HydrophobicContact CG2-CD 4.29Å
472	E	98.9	Very high	97.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.241	C	C	.	.			trans	-130.6	136.1	-170.9	167.3	169.7	-134.1	0	0	113.1	T340 R341 T446 I447 E448	T340-E472 WeakPolarHBondContact CB-OE2 3.5Å; T340-E472 PolarHBondContact N-OE2 3.04Å; T340-E472 PolarHBondContact O-N 3.46Å; T340-E472 VanDerWaalsContact O-N 3.11Å; T340-E472 PolarHBondContact OG1-OE2 3.25Å; R341-E472 PolarHBondContact NH1-O 2.66Å; T446-E472 WeakPolarHBondContact CB-OE1 3.44Å; I447-E472 VanDerWaalsContact O-CA 3.26Å; I447-E472 WeakPolarHBondContact O-CA 3.28Å; E448-E472 HydrophobicContact CB-CB 3.6Å; E448-E472 HydrophobicContact CB-CG 3.64Å; E448-E472 WeakPolarHBondContact CB-OE1 3.48Å
473	D	98.9	Very high	97.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.9	174.4	-77.6	-52.2	0	0	0	112.2	R341 Q364 L368 T446 I447 I485 S487 K492	R341-D473 IonicContact CZ-OD1 3.14Å; R341-D473 IonicContact NH1-OD1 3.98Å; R341-D473 IonicContact NH2-OD1 3.47Å; R341-D473 PolarHBondContact NH2-OD1 3.35Å; R341-D473 IonicContact NH2-OD2 3.64Å; Q364-D473 PolarHBondContact NE2-OD2 3.08Å; L368-D473 HydrophobicContact CD2-CB 4.39Å; T446-D473 CarbonylContact C-O 3.51Å; T446-D473 WeakPolarHBondContact CA-O 3.46Å; I447-D473 PolarHBondContact N-O 3.04Å; I447-D473 PolarHBondContact O-N 2.9Å; I447-D473 VanDerWaalsContact O-N 3.12Å; D473-I485 HydrophobicContact CB-CG2 3.97Å; D473-S487 WeakPolarHBondContact CA-OG 3.48Å; D473-S487 WeakPolarHBondContact CB-OG 3.4Å; D473-S487 WeakPolarHBondContact OD1-CB 3.4Å; D473-S487 PolarHBondContact OD1-OG 2.71Å; D473-K492 IonicContact OD2-NZ 2.67Å; D473-K492 PolarHBondContact OD2-NZ 3.32Å
474	D	98.9	Very high	97.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.4	172.7	-67	-27	0	0	0	110.6	S337 D338 L423 I485 L486 S487	S337-D474 VanDerWaalsContact CA-OD2 3.27Å; S337-D474 WeakPolarHBondContact CA-OD2 3.36Å; S337-D474 WeakPolarHBondContact CB-OD2 3.26Å; D338-D474 PolarHBondContact N-OD1 3.11Å; D338-D474 PolarHBondContact N-OD2 3.02Å; L423-D474 HydrophobicContact CD2-CB 4.04Å; L423-D474 WeakPolarHBondContact CD2-OD1 3.36Å; D474-I485 CarbonylContact O-C 3.5Å; D474-I485 WeakPolarHBondContact O-CA 3.41Å; D474-L486 HydrophobicContact CB-CB 3.88Å; D474-L486 HydrophobicContact CB-CD1 4.11Å; D474-L486 HydrophobicContact CB-CG 4.33Å; D474-L486 PolarHBondContact O-N 3Å; D474-S487 PolarHBondContact N-OG 3.22Å; D474-S487 VanDerWaalsContact N-OG 3.1Å
475	V	98.8	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.3	-177.2	-62.9	0	0	0	0	114.8	L368 C371 V444 I445 I447 P483 L484 I485	L368-V475 HydrophobicContact CD2-CG1 3.36Å; C371-V475 HydrophobicContact CB-CG2 4.4Å; V444-V475 VanDerWaalsContact CA-O 3.26Å; V444-V475 WeakPolarHBondContact CA-O 3.29Å; V444-V475 WeakPolarHBondContact CG1-O 3.18Å; I445-V475 HydrophobicContact CD1-CG2 4.15Å; I445-V475 HydrophobicContact CG1-CG2 3.45Å; I445-V475 VanDerWaalsContact CG1-CG2 3.45Å; I445-V475 PolarHBondContact N-O 2.91Å; I445-V475 WeakPolarHBondContact O-CG2 3.33Å; I445-V475 PolarHBondContact O-N 3.01Å; I447-V475 HydrophobicContact CG1-CG2 4.05Å; V475-P483 HydrophobicContact CB-CB 4.33Å; V475-L484 CarbonylContact C-O 3.46Å; V475-L484 VanDerWaalsContact CA-O 3.32Å; V475-L484 WeakPolarHBondContact CA-O 3.41Å; V475-I485 HydrophobicContact CG1-CB 4.47Å; V475-I485 HydrophobicContact CG1-CG1 4.02Å
476	V	98.9	Very high	97.8	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.6	170.3	-170.5	0	0	0	0	109.8	V248 M443 V444 R478 P483 L484 L486	V248-V476 HydrophobicContact CG1-CG2 4.15Å; V248-V476 HydrophobicContact CG2-CG1 4.05Å; V248-V476 HydrophobicContact CG2-CG2 4.47Å; M443-V476 WeakPolarHBondContact O-CA 3.38Å; V444-V476 HydrophobicContact CG1-CG2 4.26Å; V444-V476 HydrophobicContact CG2-CB 4.31Å; V444-V476 HydrophobicContact CG2-CG1 4.17Å; V444-V476 HydrophobicContact CG2-CG2 3.82Å; V476-R478 PolarHBondContact O-N 2.98Å; V476-P483 WeakPolarHBondContact O-CA 3.2Å; V476-L484 HydrophobicContact CB-CB 4.13Å; V476-L484 HydrophobicContact CB-CD2 4.37Å; V476-L484 HydrophobicContact CG2-CD2 4.14Å; V476-L484 HydrophobicContact CG2-CG 4.45Å; V476-L484 PolarHBondContact N-O 2.66Å; V476-L484 PolarHBondContact O-N 3.19Å; V476-L486 HydrophobicContact CG2-CD1 3.79Å; V476-L486 HydrophobicContact CG2-CD2 3.62Å; V476-L486 HydrophobicContact CG2-CG 3.82Å
477	I	98.8	Very high	97.8	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-72.4	122.8	174	-51.9	-56.2	0	0	0	109	C371 P373 L439 Q440 P441 G442 M443 I445	C371-I477 HydrophobicContact CB-CD1 3.79Å; P373-I477 HydrophobicContact CG-CG2 4.02Å; L439-I477 HydrophobicContact CB-CG1 4.22Å; L439-I477 HydrophobicContact CB-CG2 4.49Å; L439-I477 HydrophobicContact CD1-CD1 3.94Å; L439-I477 HydrophobicContact CD1-CG1 4.34Å; L439-I477 HydrophobicContact CD2-CG1 4.46Å; Q440-I477 WeakPolarHBondContact O-CB 3.41Å; P441-I477 WeakPolarHBondContact CA-O 3.18Å; G442-I477 PolarHBondContact N-O 3.16Å; M443-I477 HydrophobicContact CB-CG1 4.13Å; M443-I477 PolarHBondContact O-N 2.94Å; I445-I477 HydrophobicContact CD1-CD1 4.23Å; I445-I477 HydrophobicContact CG1-CD1 4.49Å
478	R	97.7	Very high	97.8	Very high	118 Å²	118	37.9 Å²	37.9	45%	0.445	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-97.7	155.8	177.1	-72.9	-175.1	167.2	164.2	-2.1	111.1	P373 V476 K480 A482 L484	P373-R478 VanDerWaalsContact CD-O 3.31Å; P373-R478 WeakPolarHBondContact CD-O 3.47Å; P373-R478 WeakPolarHBondContact CG-O 3.2Å; V476-R478 PolarHBondContact O-N 2.98Å; R478-K480 VanDerWaalsContact C-N 3.29Å; R478-K480 PolarHBondContact O-N 3.25Å; R478-A482 WeakPolarHBondContact CD-O 3.28Å; R478-L484 HydrophobicContact CG-CB 4.48Å
479	E	95.7	Very high	97.8	Very high	148 Å²	148	38.9 Å²	38.9	69%	0.692	23%	0.225	S	C	*	.	S	Bend	trans	-62.7	-38.1	174.2	-169	-175.2	168	0	0	112.2	P441	P441-E479 HydrophobicContact CB-CB 4.24Å; P441-E479 HydrophobicContact CG-CB 4.06Å; P441-E479 HydrophobicContact CG-CG 4.33Å
480	K	92.4	Very high	97.7	Very high	170 Å²	170	39 Å²	39	74%	0.739	23%	0.226	S	C	*	.	S	Bend	trans	-142.6	152.4	179.9	-62	-178.5	-176.2	174.9	0	110.6	R478	R478-K480 VanDerWaalsContact C-N 3.29Å; R478-K480 PolarHBondContact O-N 3.25Å
481	G	93.4	Very high	97.7	Very high	68 Å²	68	39.1 Å²	39.1	70%	0.701	23%	0.228	S	C	*	.	S	Bend	trans	79	-169.9	178.7	0	0	0	0	0	113.3
482	A	95.8	Very high	97.7	Very high	72 Å²	72	40.7 Å²	40.7	60%	0.595	24%	0.235	S	C	*	.	S	Bend	trans	-64.2	149.8	177.1	0	0	0	0	0	111.4	R478	R478-A482 WeakPolarHBondContact CD-O 3.28Å
483	P	97.4	Very high	97.7	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.123	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-57.3	155.4	172.2	30.6	-40.4	0	0	0	111	L368 C371 V475 V476	L368-P483 WeakPolarHBondContact O-CG 3.4Å; C371-P483 HydrophobicContact CB-CB 4.01Å; C371-P483 HydrophobicContact CB-CG 3.94Å; V475-P483 HydrophobicContact CB-CB 4.33Å; V476-P483 WeakPolarHBondContact O-CA 3.2Å
484	L	98.6	Very high	97.7	Very high	29 Å²	29	43.3 Å²	43.3	15%	0.152	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.5	171.1	166.8	63.2	0	0	0	109.2	V248 Q252 V475 V476 R478 L486	V248-L484 HydrophobicContact CG1-CD2 4.09Å; Q252-L484 HydrophobicContact CG-CD2 4.26Å; Q252-L484 VanDerWaalsContact NE2-CD2 3.34Å; V475-L484 CarbonylContact C-O 3.46Å; V475-L484 VanDerWaalsContact CA-O 3.32Å; V475-L484 WeakPolarHBondContact CA-O 3.41Å; V476-L484 HydrophobicContact CB-CB 4.13Å; V476-L484 HydrophobicContact CB-CD2 4.37Å; V476-L484 HydrophobicContact CG2-CD2 4.14Å; V476-L484 HydrophobicContact CG2-CG 4.45Å; V476-L484 PolarHBondContact N-O 2.66Å; V476-L484 PolarHBondContact O-N 3.19Å; R478-L484 HydrophobicContact CG-CB 4.48Å; L484-L486 HydrophobicContact CD2-CD2 3.92Å; L484-L486 HydrophobicContact CG-CD2 3.98Å
485	I	98.8	Very high	97.6	Very high	45 Å²	45	46.5 Å²	46.5	23%	0.231	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.7	175.8	-52.3	174.4	0	0	0	109.1	L368 D473 D474 V475 S488	L368-I485 HydrophobicContact CD1-CD1 4.01Å; D473-I485 HydrophobicContact CB-CG2 3.97Å; D474-I485 CarbonylContact O-C 3.5Å; D474-I485 WeakPolarHBondContact O-CA 3.41Å; V475-I485 HydrophobicContact CG1-CB 4.47Å; V475-I485 HydrophobicContact CG1-CG1 4.02Å; I485-S488 WeakPolarHBondContact O-CB 3.47Å; I485-S488 PolarHBondContact O-OG 2.93Å; I485-S488 VanDerWaalsContact O-OG 3.07Å
486	L	98.8	Very high	97.6	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-34.5	-177.1	-56.2	178.5	0	0	0	111.6	M251 Q252 V444 D474 V476 L484 S488	M251-L486 HydrophobicContact CB-CD1 3.76Å; M251-L486 HydrophobicContact CE-CD1 4.49Å; Q252-L486 HydrophobicContact CB-CD2 4.19Å; Q252-L486 HydrophobicContact CG-CD2 3.29Å; V444-L486 HydrophobicContact CG1-CD1 3.94Å; D474-L486 HydrophobicContact CB-CB 3.88Å; D474-L486 HydrophobicContact CB-CD1 4.11Å; D474-L486 HydrophobicContact CB-CG 4.33Å; D474-L486 PolarHBondContact O-N 3Å; V476-L486 HydrophobicContact CG2-CD1 3.79Å; V476-L486 HydrophobicContact CG2-CD2 3.62Å; V476-L486 HydrophobicContact CG2-CG 3.82Å; L484-L486 HydrophobicContact CD2-CD2 3.92Å; L484-L486 HydrophobicContact CG-CD2 3.98Å; L486-S488 VanDerWaalsContact C-N 3.33Å; L486-S488 PolarHBondContact O-N 3.42Å
487	S	98.6	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	13.3	179.9	53.6	0	0	0	0	114	D473 D474 G489 A490	D473-S487 WeakPolarHBondContact CA-OG 3.48Å; D473-S487 WeakPolarHBondContact CB-OG 3.4Å; D473-S487 WeakPolarHBondContact OD1-CB 3.4Å; D473-S487 PolarHBondContact OD1-OG 2.71Å; D474-S487 PolarHBondContact N-OG 3.22Å; D474-S487 VanDerWaalsContact N-OG 3.1Å; S487-G489 PolarHBondContact O-N 2.97Å; S487-A490 WeakPolarHBondContact O-CB 3.15Å; S487-A490 PolarHBondContact O-N 2.85Å
488	S	97.8	Very high	97.6	Very high	94 Å²	94	53 Å²	53	66%	0.657	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18	-174.5	52.7	0	0	0	0	114.7	I485 L486	I485-S488 WeakPolarHBondContact O-CB 3.47Å; I485-S488 PolarHBondContact O-OG 2.93Å; I485-S488 VanDerWaalsContact O-OG 3.07Å; L486-S488 VanDerWaalsContact C-N 3.33Å; L486-S488 PolarHBondContact O-N 3.42Å
489	G	97.9	Very high	97.6	Very high	22 Å²	22	54.4 Å²	54.4	23%	0.227	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.1	172.3	0	0	0	0	0	114.3	R263 S487 P491	R263-G489 PolarHBondContact NE-O 3.41Å; R263-G489 VanDerWaalsContact NH2-C 3.28Å; R263-G489 PolarHBondContact NH2-O 3.41Å; S487-G489 PolarHBondContact O-N 2.97Å; G489-P491 WeakPolarHBondContact O-CD 3.31Å
490	A	98.4	Very high	97.7	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	29%	0.286	C	S	.	.	S	Bend	trans	-73.1	119.1	-174.4	0	0	0	0	0	110.1	A259 I339 R341 S487 K492	A259-A490 HydrophobicContact CB-CB 3.89Å; I339-A490 HydrophobicContact CG2-CB 4.17Å; R341-A490 PolarHBondContact NE-O 3.35Å; R341-A490 VanDerWaalsContact NH2-CB 3.33Å; R341-A490 PolarHBondContact NH2-O 3.47Å; S487-A490 WeakPolarHBondContact O-CB 3.15Å; S487-A490 PolarHBondContact O-N 2.85Å; A490-K492 PolarHBondContact O-N 3.15Å
491	P	98.5	Very high	97.9	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.071	25%	0.254	C	S	.	.			trans	-53.5	132.7	-177.7	-25.8	34.2	0	0	0	111.9	R263 M266 R341 G489 D496 V497 A500	R263-P491 HydrophobicContact CG-CG 3.65Å; M266-P491 HydrophobicContact SD-CB 4.14Å; M266-P491 HydrophobicContact SD-CG 4.06Å; R341-P491 WeakPolarHBondContact CD-O 3.11Å; R341-P491 PolarHBondContact NE-O 3.45Å; G489-P491 WeakPolarHBondContact O-CD 3.31Å; P491-D496 HydrophobicContact CB-CB 3.91Å; P491-V497 HydrophobicContact CB-CG2 4.13Å; P491-A500 HydrophobicContact CB-CB 4.23Å; P491-A500 HydrophobicContact CG-CB 3.76Å
492	K	98.6	Very high	97.7	Very high	33 Å²	33	39.7 Å²	39.7	14%	0.143	25%	0.253	C	S	.	.			trans	-146	-4.2	179.5	71.8	174.6	-179.9	178.6	0	116	Y357 L361 I471 D473 A490	Y357-K492 VanDerWaalsContact CE1-O 3.28Å; Y357-K492 WeakPolarHBondContact CE1-O 3.46Å; Y357-K492 WeakPolarHBondContact OH-CA 3.13Å; Y357-K492 PolarHBondContact OH-O 2.95Å; L361-K492 HydrophobicContact CD1-CB 4.37Å; L361-K492 HydrophobicContact CD1-CD 3.97Å; L361-K492 HydrophobicContact CD1-CG 4.03Å; L361-K492 WeakPolarHBondContact CD1-O 3.44Å; L361-K492 VanDerWaalsContact CD2-O 3.3Å; L361-K492 WeakPolarHBondContact CD2-O 3.43Å; I471-K492 HydrophobicContact CG2-CB 4.27Å; I471-K492 HydrophobicContact CG2-CD 4.29Å; D473-K492 IonicContact OD2-NZ 2.67Å; D473-K492 PolarHBondContact OD2-NZ 3.32Å; A490-K492 PolarHBondContact O-N 3.15Å
493	T	98.8	Very high	96.9	Very high	32 Å²	32	41.2 Å²	41.2	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	-86.4	152.6	165.5	73.5	0	0	0	0	107.9	A495 D496 V497	T493-A495 PolarHBondContact O-N 2.84Å; T493-D496 WeakPolarHBondContact CG2-OD2 3.46Å; T493-D496 PolarHBondContact O-N 3.13Å; T493-D496 WeakPolarHBondContact OG1-CB 3.46Å; T493-D496 PolarHBondContact OG1-N 3.2Å; T493-D496 PolarHBondContact OG1-OD2 2.71Å; T493-V497 WeakPolarHBondContact O-CB 3.39Å; T493-V497 WeakPolarHBondContact O-CG2 3.38Å; T493-V497 PolarHBondContact O-N 3.39Å
494	V	98.6	Very high	95.1	Very high	25 Å²	25	44.9 Å²	44.9	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-49.3	-51.1	176.2	171.9	0	0	0	0	110.1	F349 Y357 E358 D496 V497 E498	F349-V494 HydrophobicContact CD2-CG1 3.8Å; F349-V494 HydrophobicContact CE2-CG1 4.26Å; F349-V494 HydrophobicContact CG-CG1 4.41Å; Y357-V494 HydrophobicContact CD1-CG2 3.89Å; Y357-V494 HydrophobicContact CE1-CG2 4.31Å; E358-V494 HydrophobicContact CG-CG2 3.98Å; V494-D496 PolarHBondContact O-N 3.03Å; V494-V497 PolarHBondContact O-N 3.45Å; V494-E498 HydrophobicContact CG1-CG 4.37Å; V494-E498 WeakPolarHBondContact O-CG 3.42Å; V494-E498 PolarHBondContact O-N 3.46Å
495	A	98.4	Very high	94.9	Very high	68 Å²	68	45.7 Å²	45.7	56%	0.562	30%	0.298	S	S	*	.	H	α-helix	trans	-60.4	-41.5	178.6	0	0	0	0	0	113.8	T493 K499	T493-A495 PolarHBondContact O-N 2.84Å; A495-K499 WeakPolarHBondContact O-CB 3.14Å; A495-K499 PolarHBondContact O-N 3.26Å
496	D	98.4	Very high	94.7	Very high	78 Å²	78	45.7 Å²	45.7	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-69.1	-36.7	178.6	-65.3	-41.9	0	0	0	111.9	P491 T493 V494 A500	P491-D496 HydrophobicContact CB-CB 3.91Å; T493-D496 WeakPolarHBondContact CG2-OD2 3.46Å; T493-D496 PolarHBondContact O-N 3.13Å; T493-D496 WeakPolarHBondContact OG1-CB 3.46Å; T493-D496 PolarHBondContact OG1-N 3.2Å; T493-D496 PolarHBondContact OG1-OD2 2.71Å; V494-D496 PolarHBondContact O-N 3.03Å; D496-A500 WeakPolarHBondContact O-CB 3.41Å; D496-A500 PolarHBondContact O-N 3.48Å
497	V	98.6	Very high	94.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-51.2	178.5	170.3	0	0	0	0	110.3	M266 W343 F349 P491 T493 V494 K499 A500 C501	M266-V497 HydrophobicContact CE-CG2 4.43Å; W343-V497 HydrophobicContact CB-CG1 3.39Å; F349-V497 HydrophobicContact CE2-CB 3.97Å; F349-V497 HydrophobicContact CE2-CG1 3.63Å; F349-V497 HydrophobicContact CZ-CB 4.37Å; F349-V497 HydrophobicContact CZ-CG1 3.91Å; P491-V497 HydrophobicContact CB-CG2 4.13Å; T493-V497 WeakPolarHBondContact O-CB 3.39Å; T493-V497 WeakPolarHBondContact O-CG2 3.38Å; T493-V497 PolarHBondContact O-N 3.39Å; V494-V497 PolarHBondContact O-N 3.45Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.36Å; V497-A500 WeakPolarHBondContact O-CA 3.5Å; V497-A500 WeakPolarHBondContact O-CB 3.3Å; V497-A500 PolarHBondContact O-N 3.45Å; V497-C501 PolarHBondContact O-N 3.38Å; V497-C501 PolarHBondContact O-SG 3.37Å; V497-C501 VanDerWaalsContact O-SG 3.39Å
498	E	98.3	Very high	94.2	Very high	66 Å²	66	50.5 Å²	50.5	31%	0.308	33%	0.334	S	S	.	.	H	α-helix	trans	-60.6	-41.1	177.5	-66.3	-174.5	155.7	0	0	111.3	G347 F349 V494 A500 C501 G502	G347-E498 WeakPolarHBondContact O-CG 3.43Å; F349-E498 HydrophobicContact CD2-CG 3.88Å; F349-E498 HydrophobicContact CE2-CG 4.28Å; F349-E498 PolarHBondContact N-OE1 2.94Å; V494-E498 HydrophobicContact CG1-CG 4.37Å; V494-E498 WeakPolarHBondContact O-CG 3.42Å; V494-E498 PolarHBondContact O-N 3.46Å; E498-A500 VanDerWaalsContact C-N 3.28Å; E498-A500 PolarHBondContact O-N 3.33Å; E498-C501 PolarHBondContact O-N 3.2Å; E498-G502 PolarHBondContact O-N 3.43Å
499	K	97.9	Very high	94	Very high	149 Å²	149	47.8 Å²	47.8	65%	0.648	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-40.1	172.2	-179	178.4	178.9	-179.3	0	111.7	A495 V497 G502 M503	A495-K499 WeakPolarHBondContact O-CB 3.14Å; A495-K499 PolarHBondContact O-N 3.26Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.36Å; K499-G502 PolarHBondContact O-N 2.78Å; K499-M503 WeakPolarHBondContact O-CG 3.17Å
500	A	97.3	Very high	93.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-68.9	-39.4	-180	0	0	0	0	0	113.1	M266 A267 P491 D496 V497 E498 G502 M503	M266-A500 HydrophobicContact CB-CB 4.17Å; M266-A500 HydrophobicContact SD-CB 3.89Å; A267-A500 WeakPolarHBondContact CA-O 3.41Å; P491-A500 HydrophobicContact CB-CB 4.23Å; P491-A500 HydrophobicContact CG-CB 3.76Å; D496-A500 WeakPolarHBondContact O-CB 3.41Å; D496-A500 PolarHBondContact O-N 3.48Å; V497-A500 WeakPolarHBondContact O-CA 3.5Å; V497-A500 WeakPolarHBondContact O-CB 3.3Å; V497-A500 PolarHBondContact O-N 3.45Å; E498-A500 VanDerWaalsContact C-N 3.28Å; E498-A500 PolarHBondContact O-N 3.33Å; A500-G502 VanDerWaalsContact C-N 3.3Å; A500-G502 PolarHBondContact O-N 3.36Å; A500-M503 HydrophobicContact CB-CE 3.94Å; A500-M503 PolarHBondContact O-N 3.42Å
501	C	96.5	Very high	93.4	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.054	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-35.7	172.8	-60.4	0	0	0	0	111.9	G347 V497 E498 M503	G347-C501 VanDerWaalsContact CA-CB 3.42Å; V497-C501 PolarHBondContact O-N 3.38Å; V497-C501 PolarHBondContact O-SG 3.37Å; V497-C501 VanDerWaalsContact O-SG 3.39Å; E498-C501 PolarHBondContact O-N 3.2Å; C501-M503 VanDerWaalsContact C-N 3.26Å; C501-M503 PolarHBondContact O-N 3.08Å
502	G	89.7	Confident	93	Very high	67 Å²	67	56 Å²	56	69%	0.691	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	2.5	178.6	0	0	0	0	0	116.4	E498 K499 A500	E498-G502 PolarHBondContact O-N 3.43Å; K499-G502 PolarHBondContact O-N 2.78Å; A500-G502 VanDerWaalsContact C-N 3.3Å; A500-G502 PolarHBondContact O-N 3.36Å
503	M	78.8	Confident	92.5	Very high	104 Å²	104	57.9 Å²	57.9	51%	0.512	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.2	178.1	-71.1	-168.2	-78.6	0	0	114.2	A267 K499 A500 C501	A267-M503 HydrophobicContact CB-CB 4.28Å; K499-M503 WeakPolarHBondContact O-CG 3.17Å; A500-M503 HydrophobicContact CB-CE 3.94Å; A500-M503 PolarHBondContact O-N 3.42Å; C501-M503 VanDerWaalsContact C-N 3.26Å; C501-M503 PolarHBondContact O-N 3.08Å
504	G	59.3	Low	92	Very high	97 Å²	97	60.3 Å²	60.3	100%	1	40%	0.396	S	S	*	.			trans	-78.2	0	-172	0	0	0	0	0	116	A267	A267-G504 VanDerWaalsContact O-CA 3.28Å; A267-G504 WeakPolarHBondContact O-CA 3.5Å

Retrieved 504 of 504 residues in 433.9 ms (Link to these results)

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