A0A3Q0KLC0_SCHMA Loading...

Malic enzyme AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	42	Very low	230 Å²	230	180.3 Å²	180.3	100%	1.133	80%	0.803	S	S	*	*				0	8.9	0	-137	172.2	-179.4	0	0	114.4
2	H	41.2	Very low	42.1	Very low	186 Å²	186	174.4 Å²	174.4	86%	0.861	78%	0.783	S	S	*	*			trans	-99.8	6	-171.9	-93.1	43	0	0	0	116.1
3	Y	37.9	Very low	42	Very low	232 Å²	232	171.7 Å²	171.7	91%	0.91	78%	0.778	S	S	*	*	S	Bend	trans	-97.3	4.3	178.6	-91.7	-84.4	0	0	0	114.9
4	M	40.5	Very low	41.9	Very low	160 Å²	160	171.3 Å²	171.3	79%	0.788	78%	0.778	S	S	*	*	S	Bend	trans	-100.4	2.7	-173.3	-115.9	166.5	113	0	0	115.5	T8	M4-T8 PolarHBondContact O-OG1 2.8Å
5	K	45.5	Very low	41.5	Very low	191 Å²	191	169 Å²	169	83%	0.83	77%	0.774	S	S	*	*	S	Bend	trans	-86.8	-21.7	-179.7	-80	-173.1	175.7	-178.3	0	114.9
6	Y	46.5	Very low	41	Very low	215 Å²	215	166.5 Å²	166.5	84%	0.843	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-21.9	-178.2	-94.3	-84.4	0	0	0	114.6
7	F	43.8	Very low	40.6	Very low	173 Å²	173	163.2 Å²	163.2	76%	0.759	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-20.4	-178.7	-96.2	-84.8	0	0	0	114.5
8	T	44.5	Very low	40.3	Very low	81 Å²	81	165.9 Å²	165.9	50%	0.497	77%	0.774	S	S	.	*	H	α-helix	trans	-76.5	-28.5	-175.6	-29.8	0	0	0	0	112.6	M4 R10 K11 I12	M4-T8 PolarHBondContact O-OG1 2.8Å; T8-R10 PolarHBondContact O-N 2.94Å; T8-K11 PolarHBondContact O-N 3.49Å; T8-I12 HydrophobicContact CG2-CD1 4.5Å; T8-I12 PolarHBondContact O-N 2.98Å
9	M	41.9	Very low	39.9	Very low	153 Å²	153	166.1 Å²	166.1	75%	0.754	78%	0.775	S	S	*	*	H	α-helix	trans	-70.4	-30.6	-178.2	-128.1	178.9	-178.2	0	0	113
10	R	40.5	Very low	39.5	Very low	210 Å²	210	167 Å²	167	79%	0.792	78%	0.779	S	S	*	*	H	α-helix	trans	-73.4	-29.1	176.3	-97.4	-172.5	174.8	-173.1	-0.7	113.8	T8	T8-R10 PolarHBondContact O-N 2.94Å
11	K	41.3	Very low	39.2	Very low	152 Å²	152	165.5 Å²	165.5	66%	0.661	78%	0.777	S	S	*	*	H	α-helix	trans	-79.3	-30	178.9	-93	-174.7	173.9	-177.6	0	113.4	T8 L13 Q14	T8-K11 PolarHBondContact O-N 3.49Å; K11-L13 VanDerWaalsContact C-N 3.35Å; K11-Q14 PolarHBondContact O-N 3.19Å
12	I	43.3	Very low	39	Very low	110 Å²	110	165.5 Å²	165.5	56%	0.564	76%	0.764	S	S	*	*	H	α-helix	trans	-70.2	-34.7	179.4	-65.6	171.7	0	0	0	111.1	T8 Q14 L15	T8-I12 HydrophobicContact CG2-CD1 4.5Å; T8-I12 PolarHBondContact O-N 2.98Å; I12-Q14 VanDerWaalsContact C-N 3.26Å; I12-Q14 PolarHBondContact O-N 3.42Å; I12-L15 PolarHBondContact O-N 3.4Å
13	L	41.6	Very low	38.5	Very low	139 Å²	139	165.9 Å²	165.9	73%	0.728	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-16.6	177.9	-81.3	160.3	0	0	0	114.3	K11	K11-L13 VanDerWaalsContact C-N 3.35Å
14	Q	40.7	Very low	38.3	Very low	166 Å²	166	160.6 Å²	160.6	78%	0.776	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-9.2	178.2	-72.7	-175.2	-19.9	0	0	114	K11 I12	K11-Q14 PolarHBondContact O-N 3.19Å; I12-Q14 VanDerWaalsContact C-N 3.26Å; I12-Q14 PolarHBondContact O-N 3.42Å
15	L	35.2	Very low	37.9	Very low	137 Å²	137	159.8 Å²	159.8	72%	0.717	75%	0.754	S	S	*	*	S	Bend	trans	-108.3	7.6	-173.2	-71.5	171.6	0	0	0	114.3	I12 P17	I12-L15 PolarHBondContact O-N 3.4Å; L15-P17 VanDerWaalsContact O-CD 3.27Å; L15-P17 WeakPolarHBondContact O-CD 3.47Å
16	L	33.4	Very low	37.3	Very low	129 Å²	129	160.5 Å²	160.5	68%	0.675	76%	0.757	S	S	*	*			trans	-84.1	112.1	174.1	-73.8	168.2	0	0	0	109.8	F18	L16-F18 PolarHBondContact O-N 3.42Å
17	P	34.7	Very low	36.6	Very low	111 Å²	111	155.5 Å²	155.5	72%	0.721	75%	0.749	S	S	*	*			trans	-66.9	124.8	177.6	-10.8	26.5	0	0	0	108.9	L15 Q19	L15-P17 VanDerWaalsContact O-CD 3.27Å; L15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-Q19 PolarHBondContact O-N 3.16Å
18	F	34.2	Very low	36	Very low	211 Å²	211	151 Å²	151	93%	0.925	74%	0.743	S	S	*	*			trans	-61.5	81.6	173.2	-109	-97.3	0	0	0	110.1	L16 Q20	L16-F18 PolarHBondContact O-N 3.42Å; F18-Q20 PolarHBondContact O-N 3.23Å
19	Q	33.1	Very low	35.2	Very low	169 Å²	169	154.1 Å²	154.1	79%	0.79	76%	0.757	S	S	*	*			trans	-80.2	113.2	164.1	-76.4	-158.5	-13.9	0	0	108.5	P17 N21	P17-Q19 PolarHBondContact O-N 3.16Å; Q19-N21 VanDerWaalsContact C-N 3.3Å; Q19-N21 PolarHBondContact O-N 2.93Å
20	Q	33	Very low	34.7	Very low	184 Å²	184	156.4 Å²	156.4	86%	0.86	76%	0.759	S	S	*	*			trans	-58.2	83.8	175.2	-69.8	176.1	-10.2	0	0	111.1	F18 R22	F18-Q20 PolarHBondContact O-N 3.23Å; Q20-R22 PolarHBondContact O-N 3.42Å
21	N	32.7	Very low	34.3	Very low	137 Å²	137	150.9 Å²	150.9	73%	0.733	75%	0.753	S	S	*	*			trans	-81.5	101	168.1	-105.5	-23.6	0	0	0	109.4	Q19 F23	Q19-N21 VanDerWaalsContact C-N 3.3Å; Q19-N21 PolarHBondContact O-N 2.93Å; N21-F23 PolarHBondContact O-N 2.93Å
22	R	34.3	Very low	33.8	Very low	230 Å²	230	147.7 Å²	147.7	87%	0.868	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	17.5	177.9	-95.6	-176.3	174.2	-176.7	-1.3	116.1	Q20	Q20-R22 PolarHBondContact O-N 3.42Å
23	F	31	Very low	33.3	Very low	193 Å²	193	154.4 Å²	154.4	85%	0.846	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	2.5	-177.6	-88.6	-83.5	0	0	0	115.8	N21	N21-F23 PolarHBondContact O-N 2.93Å
24	V	33.2	Very low	32.9	Very low	121 Å²	121	150.9 Å²	150.9	73%	0.733	76%	0.761	S	S	*	*			trans	-107.3	58.8	172.1	-164.6	0	0	0	0	110.6
25	N	31.2	Very low	32.7	Very low	144 Å²	144	152.8 Å²	152.8	77%	0.77	76%	0.761	S	S	*	*			trans	-122.8	19.4	169.5	-99.6	-15.2	0	0	0	112.7
26	K	32.7	Very low	33.3	Very low	205 Å²	205	151.1 Å²	151.1	89%	0.891	75%	0.753	S	S	*	*	S	Bend	trans	-120.2	6.5	177.8	-89.8	-171.1	175	-177.4	0	116.6
27	V	32	Very low	34.2	Very low	111 Å²	111	146.8 Å²	146.8	67%	0.673	73%	0.733	S	S	*	*	S	Bend	trans	-132.3	23.2	170.9	-155.3	0	0	0	0	112.4	N29	V27-N29 PolarHBondContact O-N 3.47Å
28	A	31.3	Very low	35.6	Very low	77 Å²	77	146.6 Å²	146.6	64%	0.636	73%	0.726	S	S	*	*			trans	-86.8	20.6	174.1	0	0	0	0	0	113.6	Y30	A28-Y30 PolarHBondContact O-N 3.48Å
29	N	28.6	Very low	37.7	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	70%	0.699	S	S	*	*			trans	-88.4	41.4	162.3	-80	-5.5	0	0	0	111.3	V27 S31	V27-N29 PolarHBondContact O-N 3.47Å; N29-S31 PolarHBondContact O-N 3.36Å
30	Y	31.3	Very low	40.1	Very low	201 Å²	201	133.2 Å²	133.2	79%	0.788	67%	0.666	S	S	*	*			trans	-75.3	50.1	150.7	-81.6	-85.7	0	0	0	109.4	A28 V32	A28-Y30 PolarHBondContact O-N 3.48Å; Y30-V32 PolarHBondContact O-N 3.1Å; Y30-V32 VanDerWaalsContact O-N 3.07Å
31	S	32.6	Very low	42.6	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	66%	0.66	S	S	*	*			trans	-81.2	56.4	166.9	62.1	0	0	0	0	108.9	N29	N29-S31 PolarHBondContact O-N 3.36Å
32	V	30.5	Very low	45.3	Very low	85 Å²	85	130.1 Å²	130.1	52%	0.515	64%	0.64	S	S	.	*			trans	-149.9	58.3	163.1	-161.4	0	0	0	0	108.2	Y30 G34 R35	Y30-V32 PolarHBondContact O-N 3.1Å; Y30-V32 VanDerWaalsContact O-N 3.07Å; V32-G34 PolarHBondContact O-N 2.87Å; V32-R35 HydrophobicContact CG1-CB 3.9Å; V32-R35 HydrophobicContact CG1-CG 3.84Å
33	R	31.5	Very low	48.1	Very low	251 Å²	251	125 Å²	125	95%	0.947	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	106.4	153	-80.8	-174	179.8	-174.4	0.7	105.9
34	G	32.8	Very low	51.1	Low	64 Å²	64	116.4 Å²	116.4	66%	0.66	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.6	52.5	171.6	0	0	0	0	0	115.7	V32 D36	V32-G34 PolarHBondContact O-N 2.87Å; G34-D36 PolarHBondContact O-N 3.47Å
35	R	38.3	Very low	54.1	Low	206 Å²	206	114 Å²	114	78%	0.777	57%	0.574	S	S	*	*			trans	-68	106.8	130.2	-100.8	-170	-97.2	-172	-3.7	102.1	V32 S37	V32-R35 HydrophobicContact CG1-CB 3.9Å; V32-R35 HydrophobicContact CG1-CG 3.84Å; R35-S37 PolarHBondContact O-N 3.28Å
36	D	47.7	Very low	57.2	Low	102 Å²	102	111 Å²	111	55%	0.545	56%	0.558	S	S	.	*			trans	-42.6	117.6	166.8	-76.7	-31.2	0	0	0	105.5	G34 D38 K215	G34-D36 PolarHBondContact O-N 3.47Å; D36-D38 PolarHBondContact O-N 3.02Å; D36-K215 IonicContact OD2-NZ 2.63Å; D36-K215 PolarHBondContact OD2-NZ 2.75Å
37	S	50.9	Low	60.1	Low	38 Å²	38	101.3 Å²	101.3	27%	0.266	52%	0.516	S	S	.	.			trans	-66.6	111.6	178.5	62.9	0	0	0	0	105.8	R35 F39 R41	R35-S37 PolarHBondContact O-N 3.28Å; S37-F39 PolarHBondContact O-N 3.25Å; S37-R41 PolarHBondContact OG-NE 2.86Å; S37-R41 VanDerWaalsContact OG-NE 3.1Å; S37-R41 PolarHBondContact OG-NH2 2.98Å
38	D	65.3	Low	63.1	Low	108 Å²	108	97.4 Å²	97.4	58%	0.578	49%	0.492	S	S	*	.			trans	-62.5	-10.2	-176.1	-72.4	-33.4	0	0	0	113.4	D36 I585	D36-D38 PolarHBondContact O-N 3.02Å; D38-I585 HydrophobicContact CB-CD1 3.76Å; D38-I585 HydrophobicContact CB-CG1 4.37Å
39	F	77.7	Confident	66.1	Low	79 Å²	79	101.6 Å²	101.6	35%	0.346	49%	0.492	S	S	.	.	S	Bend	trans	-79.9	147.8	176.5	69.7	-103.5	0	0	0	112.8	S37 R41 V587 P589	S37-F39 PolarHBondContact O-N 3.25Å; F39-R41 HydrophobicContact CD2-CG 4.25Å; F39-R41 HydrophobicContact CE2-CG 3.89Å; F39-R41 PolarHBondContact O-N 3.35Å; F39-V587 WeakPolarHBondContact CA-O 3.34Å; F39-V587 VanDerWaalsContact CB-O 3.23Å; F39-V587 WeakPolarHBondContact CB-O 3.42Å; F39-P589 HydrophobicContact CD1-CB 4.35Å; F39-P589 HydrophobicContact CG-CB 4.44Å
40	I	82.9	Confident	69.1	Low	19 Å²	19	96 Å²	96	10%	0.097	46%	0.461	C	S	.	.			trans	-73.8	125.1	-178.8	-64.5	175.6	0	0	0	109.3	L42 V47 T53 F59 L67 V587	I40-L42 HydrophobicContact CG2-CB 3.99Å; I40-V47 HydrophobicContact CD1-CG1 4.08Å; I40-V47 HydrophobicContact CG2-CG1 4.24Å; I40-V47 HydrophobicContact CG2-CG2 3.99Å; I40-T53 HydrophobicContact CD1-CG2 4.37Å; I40-T53 WeakPolarHBondContact CD1-O 3.2Å; I40-T53 HydrophobicContact CG1-CG2 3.98Å; I40-T53 HydrophobicContact CG2-CG2 4.19Å; I40-F59 HydrophobicContact CD1-CE1 4.08Å; I40-L67 HydrophobicContact CB-CD2 4.29Å; I40-L67 HydrophobicContact CD1-CD1 4.34Å; I40-L67 HydrophobicContact CG2-CD2 4.26Å; I40-V587 HydrophobicContact CB-CB 4.31Å; I40-V587 HydrophobicContact CD1-CB 3.61Å; I40-V587 HydrophobicContact CD1-CG1 3.25Å; I40-V587 HydrophobicContact CG1-CB 3.79Å; I40-V587 HydrophobicContact CG1-CG1 3.74Å; I40-V587 PolarHBondContact N-O 2.76Å
41	R	85.8	Confident	72.1	Confident	194 Å²	194	87 Å²	87	73%	0.732	43%	0.428	S	S	*	.			trans	-95.1	-15.4	173.7	-61.7	-174	-176.2	-169	3	113.9	S37 F39	S37-R41 PolarHBondContact OG-NE 2.86Å; S37-R41 VanDerWaalsContact OG-NE 3.1Å; S37-R41 PolarHBondContact OG-NH2 2.98Å; F39-R41 HydrophobicContact CD2-CG 4.25Å; F39-R41 HydrophobicContact CE2-CG 3.89Å; F39-R41 PolarHBondContact O-N 3.35Å
42	L	90.2	Very high	74.9	Confident	62 Å²	62	89.3 Å²	89.3	33%	0.325	42%	0.422	S	S	.	.			trans	-69.9	156.2	174	-61.2	176.1	0	0	0	109.8	I40 D46 V47 D50 T53	I40-L42 HydrophobicContact CG2-CB 3.99Å; L42-D46 HydrophobicContact CD2-CB 4.46Å; L42-V47 VanDerWaalsContact C-CG2 3.42Å; L42-V47 HydrophobicContact CB-CG2 3.78Å; L42-V47 VanDerWaalsContact O-CG2 3.27Å; L42-V47 WeakPolarHBondContact O-CG2 3.19Å; L42-D50 HydrophobicContact CD1-CB 3.74Å; L42-T53 HydrophobicContact CD1-CG2 4.17Å
43	H	92.6	Very high	77.8	Confident	123 Å²	123	86.4 Å²	86.4	57%	0.569	41%	0.405	S	S	*	.			trans	-138.8	152.1	177.4	-175.2	-89.7	0	0	0	109.8	L67 G68	H43-L67 PolarHBondContact CD2-O 3.04Å; H43-L67 VanDerWaalsContact CD2-O 3.26Å; H43-G68 PolarHBondContact NE2-N 3.45Å
44	G	95.1	Very high	80.9	Confident	12 Å²	12	75.2 Å²	75.2	12%	0.124	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-147.6	-178.7	0	0	0	0	0	112.8	D46 V47 L67 G68 I69	G44-D46 PolarHBondContact O-N 2.76Å; G44-V47 WeakPolarHBondContact O-CB 3.34Å; G44-V47 WeakPolarHBondContact O-CG2 3.29Å; G44-V47 PolarHBondContact O-N 3.41Å; G44-V47 VanDerWaalsContact O-N 3.13Å; G44-L67 PolarHBondContact N-O 3.41Å; G44-G68 WeakPolarHBondContact CA-O 3.41Å; G44-I69 WeakPolarHBondContact O-CG2 3.29Å
45	I	96.2	Very high	83.9	Confident	72 Å²	72	73.1 Å²	73.1	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-57.6	-26.5	-171.6	-169.5	61.5	0	0	0	113.8	V47 V48 R49 L72	I45-V47 VanDerWaalsContact C-N 3.26Å; I45-V47 PolarHBondContact O-N 3.18Å; I45-V48 PolarHBondContact O-N 3.47Å; I45-V48 VanDerWaalsContact O-N 3.09Å; I45-R49 HydrophobicContact CG1-CG 4.16Å; I45-R49 WeakPolarHBondContact O-CG 3.35Å; I45-R49 PolarHBondContact O-N 2.99Å; I45-R49 VanDerWaalsContact O-N 3.07Å; I45-L72 HydrophobicContact CB-CD1 4.33Å; I45-L72 HydrophobicContact CD1-CD1 3.95Å
46	D	95.3	Very high	86.6	Confident	81 Å²	81	64.1 Å²	64.1	43%	0.433	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-28.3	-177.9	-64.7	-30.9	0	0	0	112.6	L42 G44 V48 R49 D50	L42-D46 HydrophobicContact CD2-CB 4.46Å; G44-D46 PolarHBondContact O-N 2.76Å; D46-V48 PolarHBondContact O-N 2.7Å; D46-R49 PolarHBondContact O-N 3.28Å; D46-D50 PolarHBondContact O-N 2.9Å
47	V	94.2	Very high	88.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-38.6	172.2	177.1	0	0	0	0	111.8	I40 L42 G44 I45 T53 N54 F59 L67 I69	I40-V47 HydrophobicContact CD1-CG1 4.08Å; I40-V47 HydrophobicContact CG2-CG1 4.24Å; I40-V47 HydrophobicContact CG2-CG2 3.99Å; L42-V47 VanDerWaalsContact C-CG2 3.42Å; L42-V47 HydrophobicContact CB-CG2 3.78Å; L42-V47 VanDerWaalsContact O-CG2 3.27Å; L42-V47 WeakPolarHBondContact O-CG2 3.19Å; G44-V47 WeakPolarHBondContact O-CB 3.34Å; G44-V47 WeakPolarHBondContact O-CG2 3.29Å; G44-V47 PolarHBondContact O-N 3.41Å; G44-V47 VanDerWaalsContact O-N 3.13Å; I45-V47 VanDerWaalsContact C-N 3.26Å; I45-V47 PolarHBondContact O-N 3.18Å; V47-T53 PolarHBondContact O-OG1 3.31Å; V47-N54 PolarHBondContact O-N 3.09Å; V47-F59 HydrophobicContact CG1-CE1 4.13Å; V47-F59 HydrophobicContact CG1-CZ 3.74Å; V47-L67 HydrophobicContact CG1-CD1 4.29Å; V47-L67 HydrophobicContact CG2-CB 4.47Å; V47-I69 HydrophobicContact CB-CG2 4.07Å; V47-I69 HydrophobicContact CG1-CD1 4.36Å; V47-I69 HydrophobicContact CG2-CG2 4.4Å
48	V	93.8	Very high	91.1	Very high	30 Å²	30	59.2 Å²	59.2	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-86.7	-24.5	-177.6	-176.5	0	0	0	0	111.3	I45 D46 N54 I69 L73	I45-V48 PolarHBondContact O-N 3.47Å; I45-V48 VanDerWaalsContact O-N 3.09Å; D46-V48 PolarHBondContact O-N 2.7Å; V48-N54 PolarHBondContact O-ND2 3.41Å; V48-N54 VanDerWaalsContact O-ND2 3.08Å; V48-I69 HydrophobicContact CG2-CB 4.4Å; V48-I69 HydrophobicContact CG2-CD1 4.39Å; V48-I69 HydrophobicContact CG2-CG2 4.1Å; V48-L73 HydrophobicContact CG1-CD2 4.44Å
49	R	94.1	Very high	92.5	Very high	165 Å²	165	54 Å²	54	62%	0.623	25%	0.253	S	S	*	.	H	α-helix	trans	-81.6	-27.7	179.5	-74.6	176	169.5	177	-2.9	113.7	I45 D46 P51	I45-R49 HydrophobicContact CG1-CG 4.16Å; I45-R49 WeakPolarHBondContact O-CG 3.35Å; I45-R49 PolarHBondContact O-N 2.99Å; I45-R49 VanDerWaalsContact O-N 3.07Å; D46-R49 PolarHBondContact O-N 3.28Å; R49-P51 WeakPolarHBondContact O-CD 3.29Å
50	D	92.7	Very high	93.4	Very high	28 Å²	28	53.1 Å²	53.1	15%	0.15	25%	0.254	C	S	.	.	S	Bend	trans	-83.3	112.1	175.5	-174.7	-17.6	0	0	0	110.3	L42 D46 R52 T53 N54	L42-D50 HydrophobicContact CD1-CB 3.74Å; D46-D50 PolarHBondContact O-N 2.9Å; D50-R52 PolarHBondContact O-N 2.77Å; D50-R52 VanDerWaalsContact O-N 3.07Å; D50-R52 VanDerWaalsContact OD1-CB 3.3Å; D50-R52 WeakPolarHBondContact OD1-CB 3.49Å; D50-R52 WeakPolarHBondContact OD1-CG 3.42Å; D50-R52 IonicContact OD1-CZ 2.72Å; D50-R52 PolarHBondContact OD1-N 2.65Å; D50-R52 IonicContact OD1-NE 2.69Å; D50-R52 PolarHBondContact OD1-NE 2.92Å; D50-R52 IonicContact OD1-NH2 2.8Å; D50-R52 IonicContact OD2-CZ 3.11Å; D50-R52 IonicContact OD2-NE 2.64Å; D50-R52 PolarHBondContact OD2-NE 3.29Å; D50-R52 IonicContact OD2-NH2 3.22Å; D50-R52 PolarHBondContact OD2-NH2 2.89Å; D50-T53 WeakPolarHBondContact CB-OG1 3.35Å; D50-T53 PolarHBondContact O-N 2.84Å; D50-T53 VanDerWaalsContact O-N 3.07Å; D50-T53 PolarHBondContact O-OG1 2.77Å; D50-N54 WeakPolarHBondContact O-CB 3.37Å; D50-N54 PolarHBondContact O-N 3.07Å
51	P	93.5	Very high	94	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19	179.3	14.8	-26.3	0	0	0	115.3	R49 D109 R110 E112	R49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-D109 WeakPolarHBondContact CG-O 3.48Å; P51-R110 WeakPolarHBondContact CA-O 3.41Å; P51-E112 PolarHBondContact O-N 3.04Å
52	R	91.5	Very high	94.4	Very high	142 Å²	142	51.8 Å²	51.8	54%	0.536	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-31.8	177.2	-59.1	171.3	-65.1	-179.1	6.2	112.1	D50 E171	D50-R52 PolarHBondContact O-N 2.77Å; D50-R52 VanDerWaalsContact O-N 3.07Å; D50-R52 VanDerWaalsContact OD1-CB 3.3Å; D50-R52 WeakPolarHBondContact OD1-CB 3.49Å; D50-R52 WeakPolarHBondContact OD1-CG 3.42Å; D50-R52 IonicContact OD1-CZ 2.72Å; D50-R52 PolarHBondContact OD1-N 2.65Å; D50-R52 IonicContact OD1-NE 2.69Å; D50-R52 PolarHBondContact OD1-NE 2.92Å; D50-R52 IonicContact OD1-NH2 2.8Å; D50-R52 IonicContact OD2-CZ 3.11Å; D50-R52 IonicContact OD2-NE 2.64Å; D50-R52 PolarHBondContact OD2-NE 3.29Å; D50-R52 IonicContact OD2-NH2 3.22Å; D50-R52 PolarHBondContact OD2-NH2 2.89Å; R52-E171 IonicContact CZ-OE1 3.22Å; R52-E171 IonicContact NH1-OE1 3.03Å; R52-E171 PolarHBondContact NH1-OE1 2.98Å
53	T	92.5	Very high	94.6	Very high	24 Å²	24	50.1 Å²	50.1	15%	0.147	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-22.9	-178.2	60.5	0	0	0	0	112.8	I40 L42 V47 D50 F59	I40-T53 HydrophobicContact CD1-CG2 4.37Å; I40-T53 WeakPolarHBondContact CD1-O 3.2Å; I40-T53 HydrophobicContact CG1-CG2 3.98Å; I40-T53 HydrophobicContact CG2-CG2 4.19Å; L42-T53 HydrophobicContact CD1-CG2 4.17Å; V47-T53 PolarHBondContact O-OG1 3.31Å; D50-T53 WeakPolarHBondContact CB-OG1 3.35Å; D50-T53 PolarHBondContact O-N 2.84Å; D50-T53 VanDerWaalsContact O-N 3.07Å; D50-T53 PolarHBondContact O-OG1 2.77Å; T53-F59 WeakPolarHBondContact O-CZ 3.34Å
54	N	95.2	Very high	94.8	Very high	16 Å²	16	44.5 Å²	44.5	9%	0.086	23%	0.225	C	C	.	.			trans	-68.7	131	-176.7	-172.3	12.6	0	0	0	112.5	V47 V48 D50 G56 R110 N111	V47-N54 PolarHBondContact O-N 3.09Å; V48-N54 PolarHBondContact O-ND2 3.41Å; V48-N54 VanDerWaalsContact O-ND2 3.08Å; D50-N54 WeakPolarHBondContact O-CB 3.37Å; D50-N54 PolarHBondContact O-N 3.07Å; N54-G56 PolarHBondContact OD1-N 2.81Å; N54-R110 VanDerWaalsContact CB-O 3.26Å; N54-R110 WeakPolarHBondContact CB-O 3.3Å; N54-R110 PolarHBondContact ND2-O 2.86Å; N54-N111 PolarHBondContact O-ND2 2.85Å; N54-N111 PolarHBondContact O-OD1 3.33Å
55	R	95.7	Very high	94.8	Very high	21 Å²	21	49.2 Å²	49.2	8%	0.079	24%	0.244	C	C	.	.			trans	-116.1	9	177.7	-54.7	-174.3	175.6	-155	-14.7	113.6	T57 A58 F59 Q83 Y584 I585 V587	R55-T57 PolarHBondContact O-N 3.31Å; R55-A58 HydrophobicContact CB-CB 4.16Å; R55-A58 WeakPolarHBondContact O-CB 3.35Å; R55-A58 PolarHBondContact O-N 3.12Å; R55-F59 HydrophobicContact CB-CD1 4.24Å; R55-F59 HydrophobicContact CB-CD2 3.98Å; R55-F59 HydrophobicContact CB-CE1 4.02Å; R55-F59 HydrophobicContact CB-CE2 3.75Å; R55-F59 HydrophobicContact CB-CG 4.22Å; R55-F59 HydrophobicContact CB-CZ 3.78Å; R55-F59 HydrophobicContact CG-CD1 4.31Å; R55-F59 HydrophobicContact CG-CE1 3.76Å; R55-F59 HydrophobicContact CG-CE2 4.22Å; R55-F59 HydrophobicContact CG-CZ 3.72Å; R55-F59 VanDerWaalsContact N-CE2 3.25Å; R55-Q83 PolarHBondContact O-NE2 2.89Å; R55-Q83 PolarHBondContact O-OE1 3.1Å; R55-Y584 HydrophobicContact CB-CD1 4.27Å; R55-Y584 HydrophobicContact CB-CD2 4.43Å; R55-Y584 HydrophobicContact CB-CE1 3.89Å; R55-Y584 HydrophobicContact CB-CE2 4.1Å; R55-Y584 HydrophobicContact CG-CD1 3.76Å; R55-Y584 HydrophobicContact CG-CE1 3.77Å; R55-Y584 HydrophobicContact CG-CG 4.17Å; R55-Y584 PolarHBondContact O-OH 3.32Å; R55-I585 PolarHBondContact NH1-O 3.43Å; R55-I585 PolarHBondContact NH2-O 3.38Å; R55-V587 VanDerWaalsContact NH1-CG1 3.28Å
56	G	94.9	Very high	94.7	Very high	16 Å²	16	50.3 Å²	50.3	17%	0.165	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	54.4	-126.6	-173.2	0	0	0	0	0	110.8	N54 A58 F59 L73	N54-G56 PolarHBondContact OD1-N 2.81Å; G56-A58 VanDerWaalsContact C-N 3.27Å; G56-A58 PolarHBondContact O-N 2.88Å; G56-F59 VanDerWaalsContact O-CD2 3.3Å; G56-F59 WeakPolarHBondContact O-CD2 3.43Å; G56-L73 WeakPolarHBondContact O-CD1 3.16Å
57	T	96.4	Very high	94.7	Very high	21 Å²	21	46.8 Å²	46.8	13%	0.129	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-83.6	5.5	-179	49	0	0	0	0	114	R55 R64 V77 L78	R55-T57 PolarHBondContact O-N 3.31Å; T57-R64 PolarHBondContact O-NH2 3.49Å; T57-V77 VanDerWaalsContact O-CA 3.3Å; T57-V77 WeakPolarHBondContact O-CA 3.24Å; T57-L78 PolarHBondContact O-N 3.32Å; T57-L78 WeakPolarHBondContact OG1-CB 3.38Å
58	A	97.1	Very high	94.8	Very high	16 Å²	16	48.4 Å²	48.4	13%	0.132	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-82.5	-10.5	178.3	0	0	0	0	0	114.8	R55 G56 T60 L78 Y584	R55-A58 HydrophobicContact CB-CB 4.16Å; R55-A58 WeakPolarHBondContact O-CB 3.35Å; R55-A58 PolarHBondContact O-N 3.12Å; G56-A58 VanDerWaalsContact C-N 3.27Å; G56-A58 PolarHBondContact O-N 2.88Å; A58-T60 PolarHBondContact O-N 2.96Å; A58-L78 WeakPolarHBondContact CA-O 3.26Å; A58-L78 VanDerWaalsContact CB-O 3.28Å; A58-L78 WeakPolarHBondContact CB-O 3.42Å; A58-Y584 HydrophobicContact CB-CD2 3.84Å; A58-Y584 HydrophobicContact CB-CE2 3.4Å; A58-Y584 VanDerWaalsContact CB-CE2 3.4Å
59	F	96.2	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.			trans	-59.7	125.7	171.3	-66.2	-73.4	0	0	0	109.8	I40 V47 T53 R55 G56 E63 R64 L67 I69 L73 V587	I40-F59 HydrophobicContact CD1-CE1 4.08Å; V47-F59 HydrophobicContact CG1-CE1 4.13Å; V47-F59 HydrophobicContact CG1-CZ 3.74Å; T53-F59 WeakPolarHBondContact O-CZ 3.34Å; R55-F59 HydrophobicContact CB-CD1 4.24Å; R55-F59 HydrophobicContact CB-CD2 3.98Å; R55-F59 HydrophobicContact CB-CE1 4.02Å; R55-F59 HydrophobicContact CB-CE2 3.75Å; R55-F59 HydrophobicContact CB-CG 4.22Å; R55-F59 HydrophobicContact CB-CZ 3.78Å; R55-F59 HydrophobicContact CG-CD1 4.31Å; R55-F59 HydrophobicContact CG-CE1 3.76Å; R55-F59 HydrophobicContact CG-CE2 4.22Å; R55-F59 HydrophobicContact CG-CZ 3.72Å; R55-F59 VanDerWaalsContact N-CE2 3.25Å; G56-F59 VanDerWaalsContact O-CD2 3.3Å; G56-F59 WeakPolarHBondContact O-CD2 3.43Å; F59-E63 WeakPolarHBondContact CA-OE2 3.33Å; F59-E63 HydrophobicContact CD1-CB 4.39Å; F59-R64 HydrophobicContact CB-CG 3.68Å; F59-R64 PolarHBondContact O-NE 3.21Å; F59-R64 PolarHBondContact O-NH2 3.26Å; F59-L67 HydrophobicContact CD1-CD1 4.24Å; F59-L67 HydrophobicContact CE1-CD1 4.08Å; F59-I69 HydrophobicContact CB-CD1 4.22Å; F59-I69 HydrophobicContact CD1-CD1 4.05Å; F59-I69 HydrophobicContact CD2-CD1 3.65Å; F59-I69 HydrophobicContact CE1-CD1 4.27Å; F59-I69 HydrophobicContact CE2-CD1 3.9Å; F59-I69 HydrophobicContact CG-CD1 3.72Å; F59-I69 HydrophobicContact CZ-CD1 4.2Å; F59-L73 HydrophobicContact CD2-CD1 3.77Å; F59-L73 HydrophobicContact CE2-CD1 4.5Å; F59-V587 HydrophobicContact CE1-CG1 4.49Å
60	T	95	Very high	95	Very high	59 Å²	59	44.2 Å²	44.2	36%	0.362	23%	0.233	S	C	.	.			trans	-65.7	162.9	173	66.5	0	0	0	0	110.7	A58 N62 E63 R64	A58-T60 PolarHBondContact O-N 2.96Å; T60-N62 VanDerWaalsContact C-N 3.28Å; T60-N62 PolarHBondContact O-N 3.39Å; T60-E63 PolarHBondContact N-OE2 2.85Å; T60-E63 PolarHBondContact O-N 3.05Å; T60-E63 WeakPolarHBondContact OG1-CB 3.31Å; T60-E63 VanDerWaalsContact OG1-CD 3.29Å; T60-E63 WeakPolarHBondContact OG1-CG 3.18Å; T60-E63 PolarHBondContact OG1-N 3.03Å; T60-E63 PolarHBondContact OG1-OE2 3.37Å; T60-E63 VanDerWaalsContact OG1-OE2 3.09Å; T60-R64 VanDerWaalsContact O-CG 3.23Å; T60-R64 WeakPolarHBondContact O-CG 3.47Å; T60-R64 PolarHBondContact O-N 2.96Å
61	L	95.4	Very high	95.2	Very high	93 Å²	93	46.1 Å²	46.1	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-57.4	-43.3	177.5	178.4	58.7	0	0	0	112	R64 Q65 H70	L61-R64 PolarHBondContact O-N 3.27Å; L61-Q65 HydrophobicContact CD1-CG 4.36Å; L61-Q65 WeakPolarHBondContact O-CG 3.38Å; L61-Q65 PolarHBondContact O-N 2.96Å; L61-H70 WeakPolarHBondContact CD1-CE1 3.46Å; L61-H70 WeakPolarHBondContact CD1-ND1 3.47Å
62	N	94.5	Very high	95.4	Very high	92 Å²	92	49.8 Å²	49.8	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-48.9	179.1	-174.6	45.9	0	0	0	111.7	T60 R64 Q65 L66	T60-N62 VanDerWaalsContact C-N 3.28Å; T60-N62 PolarHBondContact O-N 3.39Å; N62-R64 VanDerWaalsContact C-N 3.28Å; N62-R64 PolarHBondContact O-N 3.45Å; N62-Q65 PolarHBondContact O-N 3.31Å; N62-L66 WeakPolarHBondContact O-CG 3.29Å; N62-L66 PolarHBondContact O-N 2.92Å; N62-L66 WeakPolarHBondContact OD1-CD1 3.31Å
63	E	95	Very high	95.6	Very high	27 Å²	27	44.4 Å²	44.4	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-41.8	175.6	-70.1	166.4	156.2	0	0	111.2	F59 T60 Q65 L66 L67 V587 M588	F59-E63 WeakPolarHBondContact CA-OE2 3.33Å; F59-E63 HydrophobicContact CD1-CB 4.39Å; T60-E63 PolarHBondContact N-OE2 2.85Å; T60-E63 PolarHBondContact O-N 3.05Å; T60-E63 WeakPolarHBondContact OG1-CB 3.31Å; T60-E63 VanDerWaalsContact OG1-CD 3.29Å; T60-E63 WeakPolarHBondContact OG1-CG 3.18Å; T60-E63 PolarHBondContact OG1-N 3.03Å; T60-E63 PolarHBondContact OG1-OE2 3.37Å; T60-E63 VanDerWaalsContact OG1-OE2 3.09Å; E63-Q65 VanDerWaalsContact C-N 3.32Å; E63-Q65 PolarHBondContact O-N 3.11Å; E63-L66 PolarHBondContact O-N 3.46Å; E63-L67 HydrophobicContact CB-CD1 4.3Å; E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 VanDerWaalsContact O-CG 3.24Å; E63-L67 WeakPolarHBondContact O-CG 3.49Å; E63-L67 PolarHBondContact O-N 3.42Å; E63-V587 HydrophobicContact CB-CG2 4.21Å; E63-V587 HydrophobicContact CG-CG2 3.55Å; E63-V587 VanDerWaalsContact OE1-CG2 3.28Å; E63-V587 WeakPolarHBondContact OE1-CG2 3.41Å; E63-M588 HydrophobicContact CG-CG 3.99Å; E63-M588 HydrophobicContact CG-SD 4.28Å
64	R	96	Very high	95.7	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-41	178.7	-69.6	173.4	-165.1	-156.7	4.7	112.4	T57 F59 T60 L61 N62 G68 I69 H70 P74 S76	T57-R64 PolarHBondContact O-NH2 3.49Å; F59-R64 HydrophobicContact CB-CG 3.68Å; F59-R64 PolarHBondContact O-NE 3.21Å; F59-R64 PolarHBondContact O-NH2 3.26Å; T60-R64 VanDerWaalsContact O-CG 3.23Å; T60-R64 WeakPolarHBondContact O-CG 3.47Å; T60-R64 PolarHBondContact O-N 2.96Å; L61-R64 PolarHBondContact O-N 3.27Å; N62-R64 VanDerWaalsContact C-N 3.28Å; N62-R64 PolarHBondContact O-N 3.45Å; R64-G68 PolarHBondContact O-N 3.35Å; R64-I69 HydrophobicContact CB-CG1 4.01Å; R64-I69 HydrophobicContact CG-CD1 4.23Å; R64-I69 HydrophobicContact CG-CG1 4.04Å; R64-I69 CarbonylContact O-C 3.6Å; R64-I69 PolarHBondContact O-N 3.35Å; R64-H70 HydrophobicContact CB-CB 4.06Å; R64-H70 PolarHBondContact O-N 3Å; R64-P74 PolarHBondContact NH1-O 3.47Å; R64-S76 PolarHBondContact NH2-O 3Å
65	Q	96	Very high	95.7	Very high	111 Å²	111	52.4 Å²	52.4	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-69.6	-48	178.9	-72.1	173.2	-32.9	0	0	111.2	L61 N62 E63 G68 H70	L61-Q65 HydrophobicContact CD1-CG 4.36Å; L61-Q65 WeakPolarHBondContact O-CG 3.38Å; L61-Q65 PolarHBondContact O-N 2.96Å; N62-Q65 PolarHBondContact O-N 3.31Å; E63-Q65 VanDerWaalsContact C-N 3.32Å; E63-Q65 PolarHBondContact O-N 3.11Å; Q65-G68 PolarHBondContact O-N 3.17Å; Q65-H70 HydrophobicContact CG-CB 4.27Å
66	L	94.3	Very high	95.8	Very high	95 Å²	95	54.9 Å²	54.9	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-72.2	-31.1	-176.3	-64.1	174.9	0	0	0	113.5	N62 E63 G68 M588	N62-L66 WeakPolarHBondContact O-CG 3.29Å; N62-L66 PolarHBondContact O-N 2.92Å; N62-L66 WeakPolarHBondContact OD1-CD1 3.31Å; E63-L66 PolarHBondContact O-N 3.46Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-M588 HydrophobicContact CB-CE 3.45Å; L66-M588 VanDerWaalsContact CB-CE 3.45Å; L66-M588 HydrophobicContact CB-SD 4.26Å; L66-M588 HydrophobicContact CD1-CE 3.61Å; L66-M588 HydrophobicContact CG-CE 4.15Å
67	L	94.8	Very high	95.9	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.6	175.3	-62.7	171.1	0	0	0	113	I40 H43 G44 V47 F59 E63 I69 V587 M588	I40-L67 HydrophobicContact CB-CD2 4.29Å; I40-L67 HydrophobicContact CD1-CD1 4.34Å; I40-L67 HydrophobicContact CG2-CD2 4.26Å; H43-L67 PolarHBondContact CD2-O 3.04Å; H43-L67 VanDerWaalsContact CD2-O 3.26Å; G44-L67 PolarHBondContact N-O 3.41Å; V47-L67 HydrophobicContact CG1-CD1 4.29Å; V47-L67 HydrophobicContact CG2-CB 4.47Å; F59-L67 HydrophobicContact CD1-CD1 4.24Å; F59-L67 HydrophobicContact CE1-CD1 4.08Å; E63-L67 HydrophobicContact CB-CD1 4.3Å; E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 VanDerWaalsContact O-CG 3.24Å; E63-L67 WeakPolarHBondContact O-CG 3.49Å; E63-L67 PolarHBondContact O-N 3.42Å; L67-I69 HydrophobicContact CB-CG1 4.3Å; L67-I69 PolarHBondContact O-N 3.24Å; L67-V587 HydrophobicContact CD1-CG2 4Å; L67-M588 HydrophobicContact CD1-SD 4.4Å; L67-M588 HydrophobicContact CD2-SD 4.09Å; L67-M588 HydrophobicContact CG-SD 4Å
68	G	96.1	Very high	95.9	Very high	33 Å²	33	58.3 Å²	58.3	34%	0.34	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	28.1	179.4	0	0	0	0	0	114.7	H43 G44 R64 Q65 L66	H43-G68 PolarHBondContact NE2-N 3.45Å; G44-G68 WeakPolarHBondContact CA-O 3.41Å; R64-G68 PolarHBondContact O-N 3.35Å; Q65-G68 PolarHBondContact O-N 3.17Å; L66-G68 VanDerWaalsContact C-N 3.32Å
69	I	96.5	Very high	95.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.365	C	S	.	.			trans	-111.8	1.9	-179.7	64	174	0	0	0	113.6	G44 V47 V48 F59 R64 L67 G71 L72 L73	G44-I69 WeakPolarHBondContact O-CG2 3.29Å; V47-I69 HydrophobicContact CB-CG2 4.07Å; V47-I69 HydrophobicContact CG1-CD1 4.36Å; V47-I69 HydrophobicContact CG2-CG2 4.4Å; V48-I69 HydrophobicContact CG2-CB 4.4Å; V48-I69 HydrophobicContact CG2-CD1 4.39Å; V48-I69 HydrophobicContact CG2-CG2 4.1Å; F59-I69 HydrophobicContact CB-CD1 4.22Å; F59-I69 HydrophobicContact CD1-CD1 4.05Å; F59-I69 HydrophobicContact CD2-CD1 3.65Å; F59-I69 HydrophobicContact CE1-CD1 4.27Å; F59-I69 HydrophobicContact CE2-CD1 3.9Å; F59-I69 HydrophobicContact CG-CD1 3.72Å; F59-I69 HydrophobicContact CZ-CD1 4.2Å; R64-I69 HydrophobicContact CB-CG1 4.01Å; R64-I69 HydrophobicContact CG-CD1 4.23Å; R64-I69 HydrophobicContact CG-CG1 4.04Å; R64-I69 CarbonylContact O-C 3.6Å; R64-I69 PolarHBondContact O-N 3.35Å; L67-I69 HydrophobicContact CB-CG1 4.3Å; L67-I69 PolarHBondContact O-N 3.24Å; I69-G71 PolarHBondContact O-N 3.25Å; I69-L72 HydrophobicContact CB-CD1 4.14Å; I69-L72 HydrophobicContact CG2-CD1 4.2Å; I69-L72 WeakPolarHBondContact O-CB 3.22Å; I69-L72 PolarHBondContact O-N 3.26Å; I69-L72 VanDerWaalsContact O-N 3.1Å; I69-L73 HydrophobicContact CD1-CD1 4.19Å
70	H	96.6	Very high	96	Very high	108 Å²	108	61.9 Å²	61.9	50%	0.5	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133.5	173.9	-169.7	74.8	0	0	0	110.6	L61 R64 Q65 L72	L61-H70 WeakPolarHBondContact CD1-CE1 3.46Å; L61-H70 WeakPolarHBondContact CD1-ND1 3.47Å; R64-H70 HydrophobicContact CB-CB 4.06Å; R64-H70 PolarHBondContact O-N 3Å; Q65-H70 HydrophobicContact CG-CB 4.27Å; H70-L72 VanDerWaalsContact C-N 3.31Å; H70-L72 PolarHBondContact O-N 3.08Å
71	G	96.7	Very high	96.1	Very high	67 Å²	67	63.2 Å²	63.2	69%	0.691	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-15.8	-173.3	0	0	0	0	0	115.2	I69	I69-G71 PolarHBondContact O-N 3.25Å
72	L	96.5	Very high	96.2	Very high	91 Å²	91	63.4 Å²	63.4	48%	0.476	37%	0.372	S	S	.	.	S	Bend	trans	-82	-16.5	173.7	-58	-179.4	0	0	0	113.1	I45 I69 H70	I45-L72 HydrophobicContact CB-CD1 4.33Å; I45-L72 HydrophobicContact CD1-CD1 3.95Å; I69-L72 HydrophobicContact CB-CD1 4.14Å; I69-L72 HydrophobicContact CG2-CD1 4.2Å; I69-L72 WeakPolarHBondContact O-CB 3.22Å; I69-L72 PolarHBondContact O-N 3.26Å; I69-L72 VanDerWaalsContact O-N 3.1Å; H70-L72 VanDerWaalsContact C-N 3.31Å; H70-L72 PolarHBondContact O-N 3.08Å
73	L	95.4	Very high	96.4	Very high	29 Å²	29	59.6 Å²	59.6	15%	0.152	35%	0.351	C	S	.	.	S	Bend	trans	-125.4	147.7	-174.9	-61.6	171.9	0	0	0	110.6	V48 G56 F59 I69	V48-L73 HydrophobicContact CG1-CD2 4.44Å; G56-L73 WeakPolarHBondContact O-CD1 3.16Å; F59-L73 HydrophobicContact CD2-CD1 3.77Å; F59-L73 HydrophobicContact CE2-CD1 4.5Å; I69-L73 HydrophobicContact CD1-CD1 4.19Å
74	P	96	Very high	96.6	Very high	83 Å²	83	58.4 Å²	58.4	54%	0.539	35%	0.345	S	S	.	.			trans	-53.5	144.3	173.3	-24.9	33.8	0	0	0	111.9	R64 S76	R64-P74 PolarHBondContact NH1-O 3.47Å; P74-S76 VanDerWaalsContact C-N 3.28Å; P74-S76 PolarHBondContact O-N 2.71Å
75	P	95.5	Very high	96.7	Very high	125 Å²	125	61.9 Å²	61.9	81%	0.812	37%	0.37	S	S	*	.	S	Bend	trans	-65.6	-26.5	-167.7	25.1	-35.3	0	0	0	114.4
76	S	96.9	Very high	96.7	Very high	73 Å²	73	61.7 Å²	61.7	51%	0.51	37%	0.368	S	S	.	.			trans	-63	136.1	176.5	-175.4	0	0	0	0	111.3	R64 P74	R64-S76 PolarHBondContact NH2-O 3Å; P74-S76 VanDerWaalsContact C-N 3.28Å; P74-S76 PolarHBondContact O-N 2.71Å
77	V	97.1	Very high	96.9	Very high	67 Å²	67	57.8 Å²	57.8	41%	0.406	35%	0.348	S	S	.	.			trans	-100.6	119.1	172.2	-177.6	0	0	0	0	107.5	T57	T57-V77 VanDerWaalsContact O-CA 3.3Å; T57-V77 WeakPolarHBondContact O-CA 3.24Å
78	L	97.4	Very high	97.1	Very high	43 Å²	43	58 Å²	58	23%	0.225	35%	0.348	C	S	.	.			trans	-107.5	135.6	177.8	-57.9	-176.8	0	0	0	110.1	T57 A58 Q82 Q83	T57-L78 PolarHBondContact O-N 3.32Å; T57-L78 WeakPolarHBondContact OG1-CB 3.38Å; A58-L78 WeakPolarHBondContact CA-O 3.26Å; A58-L78 VanDerWaalsContact CB-O 3.28Å; A58-L78 WeakPolarHBondContact CB-O 3.42Å; L78-Q82 VanDerWaalsContact CA-OE1 3.29Å; L78-Q82 HydrophobicContact CB-CB 4.12Å; L78-Q83 HydrophobicContact CB-CG 4.07Å
79	T	96.6	Very high	97.2	Very high	75 Å²	75	58.6 Å²	58.6	46%	0.46	35%	0.35	S	S	.	.			trans	-62.5	163.3	173.2	69.6	0	0	0	0	111.1	D81 Q82 Q83	T79-D81 VanDerWaalsContact C-N 3.28Å; T79-D81 PolarHBondContact O-N 3.25Å; T79-Q82 PolarHBondContact O-N 2.94Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.14Å; T79-Q82 PolarHBondContact OG1-N 3.46Å; T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.24Å
80	L	96.7	Very high	97.2	Very high	16 Å²	16	61.4 Å²	61.4	8%	0.084	37%	0.365	C	S	.	.	H	α-helix	trans	-55.4	-45.7	173.5	177.5	53	0	0	0	111	Q82 Q83 V84 L114 K117 Y584	L80-Q82 PolarHBondContact O-N 2.98Å; L80-Q83 CarbonylContact O-C 3.55Å; L80-Q83 WeakPolarHBondContact O-CA 3.38Å; L80-Q83 WeakPolarHBondContact O-CB 3.49Å; L80-Q83 PolarHBondContact O-N 3.06Å; L80-V84 HydrophobicContact CD1-CG2 4.38Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.48Å; L80-L114 HydrophobicContact CD1-CB 4.39Å; L80-L114 HydrophobicContact CD1-CD1 3.72Å; L80-K117 HydrophobicContact CD1-CB 4.21Å; L80-K117 HydrophobicContact CD1-CG 4.06Å; L80-K117 HydrophobicContact CD2-CB 4.33Å; L80-K117 HydrophobicContact CD2-CD 3.89Å; L80-K117 HydrophobicContact CD2-CG 3.87Å; L80-K117 HydrophobicContact CG-CB 4.48Å; L80-K117 HydrophobicContact CG-CD 4.32Å; L80-K117 HydrophobicContact CG-CG 3.87Å; L80-Y584 HydrophobicContact CB-CD2 3.97Å; L80-Y584 HydrophobicContact CB-CE2 3.8Å; L80-Y584 HydrophobicContact CD1-CD2 4.35Å; L80-Y584 HydrophobicContact CD1-CE1 4.47Å; L80-Y584 HydrophobicContact CD1-CE2 3.66Å; L80-Y584 HydrophobicContact CD2-CD2 4.24Å; L80-Y584 HydrophobicContact CD2-CE2 4.36Å; L80-Y584 HydrophobicContact CG-CD2 4.41Å; L80-Y584 HydrophobicContact CG-CE2 4.13Å
81	D	97.8	Very high	97.3	Very high	86 Å²	86	56.2 Å²	56.2	46%	0.46	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-35.9	-179.3	-52.3	-23.4	0	0	0	113	T79 Q83 V84 S85 K117	T79-D81 VanDerWaalsContact C-N 3.28Å; T79-D81 PolarHBondContact O-N 3.25Å; D81-Q83 VanDerWaalsContact C-N 3.32Å; D81-V84 PolarHBondContact O-N 3.01Å; D81-S85 WeakPolarHBondContact O-CB 3.05Å; D81-S85 PolarHBondContact O-N 3.21Å; D81-S85 PolarHBondContact O-OG 3.13Å; D81-K117 IonicContact OD1-NZ 2.71Å
82	Q	98.3	Very high	97.3	Very high	97 Å²	97	59.5 Å²	59.5	45%	0.453	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-39	172.2	-75.3	174.4	-33.4	0	0	111.2	L78 T79 L80 K86	L78-Q82 VanDerWaalsContact CA-OE1 3.29Å; L78-Q82 HydrophobicContact CB-CB 4.12Å; T79-Q82 PolarHBondContact O-N 2.94Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.14Å; T79-Q82 PolarHBondContact OG1-N 3.46Å; L80-Q82 PolarHBondContact O-N 2.98Å; Q82-K86 WeakPolarHBondContact O-CB 3.35Å; Q82-K86 PolarHBondContact O-N 3.39Å
83	Q	98.5	Very high	97.3	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-41.4	174	-68.4	-173.8	81.1	0	0	111.7	R55 L78 T79 L80 D81 K86 M87 L114	R55-Q83 PolarHBondContact O-NE2 2.89Å; R55-Q83 PolarHBondContact O-OE1 3.1Å; L78-Q83 HydrophobicContact CB-CG 4.07Å; T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.24Å; L80-Q83 CarbonylContact O-C 3.55Å; L80-Q83 WeakPolarHBondContact O-CA 3.38Å; L80-Q83 WeakPolarHBondContact O-CB 3.49Å; L80-Q83 PolarHBondContact O-N 3.06Å; D81-Q83 VanDerWaalsContact C-N 3.32Å; Q83-K86 WeakPolarHBondContact O-CB 3.26Å; Q83-K86 PolarHBondContact O-N 3.08Å; Q83-M87 VanDerWaalsContact O-CG 3.31Å; Q83-M87 WeakPolarHBondContact O-CG 3.38Å; Q83-M87 PolarHBondContact O-N 2.77Å; Q83-L114 HydrophobicContact CB-CD1 3.77Å; Q83-L114 HydrophobicContact CB-CD2 3.93Å
84	V	98.5	Very high	97.4	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-50	174.2	171.9	0	0	0	0	110.6	L80 D81 K86 M87 M88 L114 K117 L118	L80-V84 HydrophobicContact CD1-CG2 4.38Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.48Å; D81-V84 PolarHBondContact O-N 3.01Å; V84-K86 VanDerWaalsContact C-N 3.28Å; V84-K86 PolarHBondContact O-N 2.88Å; V84-M87 PolarHBondContact O-N 3.07Å; V84-M88 PolarHBondContact O-N 3.5Å; V84-L114 HydrophobicContact CG2-CD1 3.75Å; V84-K117 HydrophobicContact CG2-CB 4.21Å; V84-K117 HydrophobicContact CG2-CG 3.57Å; V84-L118 HydrophobicContact CG1-CD1 3.87Å
85	S	98.3	Very high	97.2	Very high	78 Å²	78	64.8 Å²	64.8	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-56.3	-43	178	-63.2	0	0	0	0	111.9	D81 M88 A89	D81-S85 WeakPolarHBondContact O-CB 3.05Å; D81-S85 PolarHBondContact O-N 3.21Å; D81-S85 PolarHBondContact O-OG 3.13Å; S85-M88 PolarHBondContact O-N 2.94Å; S85-A89 PolarHBondContact O-N 3.2Å
86	K	97.4	Very high	97.2	Very high	108 Å²	108	61.7 Å²	61.7	47%	0.47	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-43.6	174.6	180	-171.5	169.9	179.9	0	112	Q82 Q83 V84 A89 N90	Q82-K86 WeakPolarHBondContact O-CB 3.35Å; Q82-K86 PolarHBondContact O-N 3.39Å; Q83-K86 WeakPolarHBondContact O-CB 3.26Å; Q83-K86 PolarHBondContact O-N 3.08Å; V84-K86 VanDerWaalsContact C-N 3.28Å; V84-K86 PolarHBondContact O-N 2.88Å; K86-A89 PolarHBondContact O-N 2.87Å; K86-N90 PolarHBondContact O-N 2.79Å; K86-N90 VanDerWaalsContact O-N 3.16Å
87	M	97.9	Very high	97.1	Very high	13 Å²	13	61.3 Å²	61.3	6%	0.064	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-41.9	178.7	-65	-53.9	92.3	0	0	111.2	Q83 V84 N90 L91 Y103 L107 L114 L118	Q83-M87 VanDerWaalsContact O-CG 3.31Å; Q83-M87 WeakPolarHBondContact O-CG 3.38Å; Q83-M87 PolarHBondContact O-N 2.77Å; V84-M87 PolarHBondContact O-N 3.07Å; M87-N90 PolarHBondContact O-N 3.45Å; M87-L91 WeakPolarHBondContact O-CG 3.31Å; M87-L91 PolarHBondContact O-N 3.07Å; M87-Y103 WeakPolarHBondContact CE-OH 3.47Å; M87-Y103 HydrophobicContact SD-CE1 4.1Å; M87-Y103 PolarHBondContact SD-OH 2.97Å; M87-L107 HydrophobicContact CB-CD2 4.44Å; M87-L107 HydrophobicContact CG-CD1 4.37Å; M87-L107 HydrophobicContact CG-CD2 3.89Å; M87-L107 HydrophobicContact SD-CD1 3.87Å; M87-L107 HydrophobicContact SD-CD2 4.18Å; M87-L114 HydrophobicContact CG-CD1 4.47Å; M87-L114 HydrophobicContact CG-CD2 4.13Å; M87-L114 HydrophobicContact CG-CG 4.34Å; M87-L118 HydrophobicContact CB-CD1 4.04Å; M87-L118 HydrophobicContact CB-CD2 3.81Å; M87-L118 HydrophobicContact CG-CD2 4.49Å
88	M	98.1	Very high	96.9	Very high	11 Å²	11	59 Å²	59	5%	0.054	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-41.5	175.3	-77.4	-54.6	-67.2	0	0	113	V84 S85 N90 L91 K92 L118 H122 Y125	V84-M88 PolarHBondContact O-N 3.5Å; S85-M88 PolarHBondContact O-N 2.94Å; M88-N90 VanDerWaalsContact C-N 3.31Å; M88-N90 PolarHBondContact O-N 2.81Å; M88-L91 PolarHBondContact O-N 3.15Å; M88-L91 HydrophobicContact SD-CD1 3.99Å; M88-K92 WeakPolarHBondContact O-CG 3.23Å; M88-K92 PolarHBondContact O-N 2.85Å; M88-L118 HydrophobicContact CG-CD1 3.45Å; M88-L118 VanDerWaalsContact CG-CD1 3.45Å; M88-L118 HydrophobicContact SD-CD1 3.45Å; M88-L118 WeakPolarHBondContact SD-CD1 3.48Å; M88-L118 HydrophobicContact SD-CG 4.42Å; M88-H122 HydrophobicContact CE-CB 4.01Å; M88-H122 WeakPolarHBondContact CG-CD2 3.2Å; M88-H122 WeakPolarHBondContact CG-NE2 3.5Å; M88-H122 HydrophobicContact SD-CB 3.83Å; M88-H122 VanDerWaalsContact SD-CD2 3.59Å; M88-Y125 HydrophobicContact CE-CD1 3.75Å; M88-Y125 HydrophobicContact CE-CE1 4.22Å; M88-Y125 HydrophobicContact CE-CG 3.98Å; M88-Y125 HydrophobicContact SD-CD1 4.37Å
89	A	98.1	Very high	96.8	Very high	46 Å²	46	61.3 Å²	61.3	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-42.9	175.7	0	0	0	0	0	111.5	S85 K86 K92 N93	S85-A89 PolarHBondContact O-N 3.2Å; K86-A89 PolarHBondContact O-N 2.87Å; A89-K92 PolarHBondContact O-N 2.8Å; A89-N93 VanDerWaalsContact O-CG 3.3Å; A89-N93 PolarHBondContact O-N 2.93Å; A89-N93 PolarHBondContact O-ND2 2.8Å
90	N	97.7	Very high	96.9	Very high	59 Å²	59	59.6 Å²	59.6	32%	0.316	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-43.8	176.2	-72.7	-13.2	0	0	0	112.3	K86 M87 M88 K92 N93 M94 Y103	K86-N90 PolarHBondContact O-N 2.79Å; K86-N90 VanDerWaalsContact O-N 3.16Å; M87-N90 PolarHBondContact O-N 3.45Å; M88-N90 VanDerWaalsContact C-N 3.31Å; M88-N90 PolarHBondContact O-N 2.81Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 2.85Å; N90-N93 PolarHBondContact O-N 2.78Å; N90-M94 WeakPolarHBondContact O-CG 3.3Å; N90-M94 PolarHBondContact O-N 2.9Å; N90-Y103 HydrophobicContact CB-CE1 4.11Å; N90-Y103 HydrophobicContact CB-CE2 4.39Å; N90-Y103 PolarHBondContact ND2-OH 2.69Å
91	L	97.8	Very high	96.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-43.1	177.4	-76.9	169.6	0	0	0	112.6	M87 M88 N93 M94 R100 Y103 L104 L118 Y125	M87-L91 WeakPolarHBondContact O-CG 3.31Å; M87-L91 PolarHBondContact O-N 3.07Å; M88-L91 PolarHBondContact O-N 3.15Å; M88-L91 HydrophobicContact SD-CD1 3.99Å; L91-N93 VanDerWaalsContact C-N 3.27Å; L91-N93 PolarHBondContact O-N 2.72Å; L91-M94 PolarHBondContact O-N 3.28Å; L91-R100 HydrophobicContact CD2-CB 3.87Å; L91-R100 HydrophobicContact CD2-CG 4.09Å; L91-R100 PolarHBondContact O-NE 2.96Å; L91-Y103 HydrophobicContact CD2-CD1 3.66Å; L91-Y103 HydrophobicContact CD2-CE1 4.42Å; L91-Y103 HydrophobicContact CD2-CG 4.47Å; L91-Y103 HydrophobicContact CG-CD1 3.96Å; L91-Y103 HydrophobicContact CG-CE1 4.23Å; L91-L104 HydrophobicContact CD1-CD2 3.93Å; L91-L104 HydrophobicContact CD1-CG 4.45Å; L91-L104 HydrophobicContact CD2-CD2 4.31Å; L91-L104 HydrophobicContact CD2-CG 4.02Å; L91-L118 HydrophobicContact CD1-CD2 4.02Å; L91-Y125 HydrophobicContact CB-CE1 3.95Å; L91-Y125 HydrophobicContact CD1-CE1 4.25Å; L91-Y125 PolarHBondContact O-OH 3.15Å
92	K	96.6	Very high	96.7	Very high	136 Å²	136	56.8 Å²	56.8	59%	0.591	29%	0.294	S	S	*	.	H	α-helix	trans	-65.3	-30.8	178.6	-72.1	176.7	179.5	-178.7	0	112.7	M88 A89 N90 M94	M88-K92 WeakPolarHBondContact O-CG 3.23Å; M88-K92 PolarHBondContact O-N 2.85Å; A89-K92 PolarHBondContact O-N 2.8Å; N90-K92 VanDerWaalsContact C-N 3.34Å; N90-K92 PolarHBondContact O-N 2.85Å; K92-M94 VanDerWaalsContact C-N 3.34Å
93	N	96.7	Very high	96.6	Very high	130 Å²	130	54 Å²	54	70%	0.695	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.7	179.4	-71	-19.2	0	0	0	114.3	A89 N90 L91	A89-N93 VanDerWaalsContact O-CG 3.3Å; A89-N93 PolarHBondContact O-N 2.93Å; A89-N93 PolarHBondContact O-ND2 2.8Å; N90-N93 PolarHBondContact O-N 2.78Å; L91-N93 VanDerWaalsContact C-N 3.27Å; L91-N93 PolarHBondContact O-N 2.72Å
94	M	96.6	Very high	96.5	Very high	38 Å²	38	53.4 Å²	53.4	19%	0.187	28%	0.277	C	S	.	.			trans	-79	153.5	175	-68.6	177.9	-175	0	0	111.3	N90 L91 K92 Q99 R100 Y103	N90-M94 WeakPolarHBondContact O-CG 3.3Å; N90-M94 PolarHBondContact O-N 2.9Å; L91-M94 PolarHBondContact O-N 3.28Å; K92-M94 VanDerWaalsContact C-N 3.34Å; M94-Q99 HydrophobicContact CB-CB 4.42Å; M94-Q99 HydrophobicContact SD-CB 4.31Å; M94-R100 HydrophobicContact CB-CG 3.75Å; M94-R100 HydrophobicContact CG-CG 4.45Å; M94-R100 PolarHBondContact O-NH2 2.86Å; M94-R100 HydrophobicContact SD-CB 4.48Å; M94-R100 HydrophobicContact SD-CG 4.03Å; M94-Y103 VanDerWaalsContact CE-CB 3.47Å; M94-Y103 HydrophobicContact CE-CD1 3.96Å; M94-Y103 HydrophobicContact CE-CD2 3.23Å; M94-Y103 HydrophobicContact CE-CE2 3.87Å; M94-Y103 HydrophobicContact CE-CG 3.26Å; M94-Y103 HydrophobicContact SD-CG 4.09Å
95	N	93	Very high	96.3	Very high	145 Å²	145	54.4 Å²	54.4	78%	0.775	28%	0.283	S	S	*	.	S	Bend	trans	-86.4	-33.7	-171.1	-66.7	-29.1	0	0	0	113.4
96	D	95.3	Very high	96.2	Very high	60 Å²	60	51.7 Å²	51.7	32%	0.321	26%	0.264	S	S	.	.	S	Bend	trans	-137.9	161.4	-174.5	70.8	78.8	0	0	0	112.7	L98 Q99 R100	D96-L98 VanDerWaalsContact C-N 3.34Å; D96-L98 PolarHBondContact O-N 3.32Å; D96-L98 WeakPolarHBondContact OD1-CA 3.46Å; D96-L98 WeakPolarHBondContact OD1-CB 3.29Å; D96-L98 PolarHBondContact OD1-N 2.99Å; D96-Q99 PolarHBondContact O-N 3.39Å; D96-Q99 PolarHBondContact OD1-N 2.88Å; D96-Q99 WeakPolarHBondContact OD2-CG 3.27Å; D96-Q99 PolarHBondContact OD2-NE2 3.05Å; D96-Q99 VanDerWaalsContact OD2-NE2 3.11Å; D96-R100 WeakPolarHBondContact O-CG 3.19Å; D96-R100 PolarHBondContact O-N 3.42Å
97	N	94.6	Very high	96.2	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-70.3	-27.6	-175.7	-74.8	-8.2	0	0	0	113.4	R100 Y101 L129 T134	N97-R100 PolarHBondContact O-N 3.12Å; N97-R100 PolarHBondContact OD1-NH1 3.29Å; N97-Y101 WeakPolarHBondContact O-CB 3.5Å; N97-Y101 PolarHBondContact O-N 3.46Å; N97-L129 HydrophobicContact CB-CD2 3.88Å; N97-L129 WeakPolarHBondContact OD1-CD2 3.27Å; N97-T134 HydrophobicContact CB-CG2 3.85Å; N97-T134 WeakPolarHBondContact O-CG2 2.9Å
98	L	94.1	Very high	96.1	Very high	19 Å²	19	46.3 Å²	46.3	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-40.7	177.4	-176.8	63.1	0	0	0	110.6	D96 R100 Y101 V102 L137 A138 V145	D96-L98 VanDerWaalsContact C-N 3.34Å; D96-L98 PolarHBondContact O-N 3.32Å; D96-L98 WeakPolarHBondContact OD1-CA 3.46Å; D96-L98 WeakPolarHBondContact OD1-CB 3.29Å; D96-L98 PolarHBondContact OD1-N 2.99Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 3.33Å; L98-Y101 HydrophobicContact CD1-CD1 4.48Å; L98-Y101 WeakPolarHBondContact O-CB 3.45Å; L98-Y101 PolarHBondContact O-N 3.01Å; L98-V102 WeakPolarHBondContact O-CG2 3.22Å; L98-V102 PolarHBondContact O-N 3.04Å; L98-L137 HydrophobicContact CB-CD2 3.97Å; L98-L137 HydrophobicContact CD1-CG 4.38Å; L98-L137 HydrophobicContact CD2-CG 4.49Å; L98-A138 HydrophobicContact CD1-CB 4.22Å; L98-V145 HydrophobicContact CD1-CG2 4.17Å
99	Q	95.1	Very high	95.9	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-59.7	-44	171.4	-72.7	179.4	7.9	0	0	111.8	M94 D96 Y101 V102 Y103	M94-Q99 HydrophobicContact CB-CB 4.42Å; M94-Q99 HydrophobicContact SD-CB 4.31Å; D96-Q99 PolarHBondContact O-N 3.39Å; D96-Q99 PolarHBondContact OD1-N 2.88Å; D96-Q99 WeakPolarHBondContact OD2-CG 3.27Å; D96-Q99 PolarHBondContact OD2-NE2 3.05Å; D96-Q99 VanDerWaalsContact OD2-NE2 3.11Å; Q99-Y101 PolarHBondContact O-N 2.55Å; Q99-V102 PolarHBondContact O-N 3.18Å; Q99-Y103 WeakPolarHBondContact O-CB 3.41Å; Q99-Y103 PolarHBondContact O-N 2.79Å
100	R	97	Very high	95.8	Very high	40 Å²	40	50.5 Å²	50.5	15%	0.151	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-41.4	176.4	-67.2	177.4	-171.5	119.1	2.6	112.1	L91 M94 D96 N97 L98 Y103 L104 Y125 L129	L91-R100 HydrophobicContact CD2-CB 3.87Å; L91-R100 HydrophobicContact CD2-CG 4.09Å; L91-R100 PolarHBondContact O-NE 2.96Å; M94-R100 HydrophobicContact CB-CG 3.75Å; M94-R100 HydrophobicContact CG-CG 4.45Å; M94-R100 PolarHBondContact O-NH2 2.86Å; M94-R100 HydrophobicContact SD-CB 4.48Å; M94-R100 HydrophobicContact SD-CG 4.03Å; D96-R100 WeakPolarHBondContact O-CG 3.19Å; D96-R100 PolarHBondContact O-N 3.42Å; N97-R100 PolarHBondContact O-N 3.12Å; N97-R100 PolarHBondContact OD1-NH1 3.29Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 3.33Å; R100-Y103 WeakPolarHBondContact O-CB 3.47Å; R100-Y103 PolarHBondContact O-N 2.93Å; R100-L104 WeakPolarHBondContact O-CG 3.5Å; R100-L104 PolarHBondContact O-N 3.32Å; R100-Y125 WeakPolarHBondContact CD-OH 3.45Å; R100-Y125 PolarHBondContact NE-OH 3.17Å; R100-L129 HydrophobicContact CB-CD1 3.9Å; R100-L129 HydrophobicContact CB-CD2 3.97Å; R100-L129 HydrophobicContact CB-CG 4.49Å
101	Y	95.7	Very high	95.7	Very high	13 Å²	13	47.9 Å²	47.9	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-48.6	173.3	171.6	-94.1	0	0	0	112.1	N97 L98 Q99 Y103 L104 T105 L129 T134 A138 V145	N97-Y101 WeakPolarHBondContact O-CB 3.5Å; N97-Y101 PolarHBondContact O-N 3.46Å; L98-Y101 HydrophobicContact CD1-CD1 4.48Å; L98-Y101 WeakPolarHBondContact O-CB 3.45Å; L98-Y101 PolarHBondContact O-N 3.01Å; Q99-Y101 PolarHBondContact O-N 2.55Å; Y101-Y103 PolarHBondContact O-N 2.91Å; Y101-L104 PolarHBondContact O-N 3.04Å; Y101-T105 HydrophobicContact CD1-CG2 4.29Å; Y101-T105 HydrophobicContact CD2-CG2 4.25Å; Y101-T105 HydrophobicContact CE1-CG2 3.8Å; Y101-T105 HydrophobicContact CE2-CG2 3.82Å; Y101-T105 WeakPolarHBondContact O-CG2 3.45Å; Y101-T105 PolarHBondContact O-N 2.92Å; Y101-T105 PolarHBondContact O-OG1 2.79Å; Y101-L129 WeakPolarHBondContact CD2-O 3.47Å; Y101-T134 HydrophobicContact CG-CG2 4.44Å; Y101-A138 HydrophobicContact CD1-CB 3.66Å; Y101-A138 HydrophobicContact CD2-CB 4.47Å; Y101-A138 HydrophobicContact CE1-CB 3.36Å; Y101-A138 HydrophobicContact CE2-CB 4.2Å; Y101-A138 HydrophobicContact CG-CB 4.21Å; Y101-V145 HydrophobicContact CD1-CG1 4.24Å; Y101-V145 HydrophobicContact CE1-CG1 3.82Å
102	V	94.8	Very high	95.6	Very high	29 Å²	29	49.4 Å²	49.4	18%	0.176	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-37	176.6	171.7	0	0	0	0	110.9	L98 Q99 T105 S106 V145	L98-V102 WeakPolarHBondContact O-CG2 3.22Å; L98-V102 PolarHBondContact O-N 3.04Å; Q99-V102 PolarHBondContact O-N 3.18Å; V102-T105 WeakPolarHBondContact CA-OG1 3.38Å; V102-T105 PolarHBondContact O-OG1 3.28Å; V102-S106 WeakPolarHBondContact O-CB 3.48Å; V102-S106 PolarHBondContact O-N 3.32Å; V102-S106 PolarHBondContact O-OG 3.47Å; V102-V145 HydrophobicContact CG2-CG1 4.05Å
103	Y	96.3	Very high	95.6	Very high	39 Å²	39	43.6 Å²	43.6	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-67.8	-44	176.6	-174.5	-101.2	0	0	0	112.7	M87 N90 L91 M94 Q99 R100 Y101 S106 L107	M87-Y103 WeakPolarHBondContact CE-OH 3.47Å; M87-Y103 HydrophobicContact SD-CE1 4.1Å; M87-Y103 PolarHBondContact SD-OH 2.97Å; N90-Y103 HydrophobicContact CB-CE1 4.11Å; N90-Y103 HydrophobicContact CB-CE2 4.39Å; N90-Y103 PolarHBondContact ND2-OH 2.69Å; L91-Y103 HydrophobicContact CD2-CD1 3.66Å; L91-Y103 HydrophobicContact CD2-CE1 4.42Å; L91-Y103 HydrophobicContact CD2-CG 4.47Å; L91-Y103 HydrophobicContact CG-CD1 3.96Å; L91-Y103 HydrophobicContact CG-CE1 4.23Å; M94-Y103 VanDerWaalsContact CE-CB 3.47Å; M94-Y103 HydrophobicContact CE-CD1 3.96Å; M94-Y103 HydrophobicContact CE-CD2 3.23Å; M94-Y103 HydrophobicContact CE-CE2 3.87Å; M94-Y103 HydrophobicContact CE-CG 3.26Å; M94-Y103 HydrophobicContact SD-CG 4.09Å; Q99-Y103 WeakPolarHBondContact O-CB 3.41Å; Q99-Y103 PolarHBondContact O-N 2.79Å; R100-Y103 WeakPolarHBondContact O-CB 3.47Å; R100-Y103 PolarHBondContact O-N 2.93Å; Y101-Y103 PolarHBondContact O-N 2.91Å; Y103-S106 PolarHBondContact O-N 3.25Å; Y103-L107 WeakPolarHBondContact O-CB 3.33Å; Y103-L107 PolarHBondContact O-N 2.93Å
104	L	97	Very high	95.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-46.1	177	-77.6	176.3	0	0	0	112.1	L91 R100 Y101 S106 L107 Q108 F115 L118 L129 I130	L91-L104 HydrophobicContact CD1-CD2 3.93Å; L91-L104 HydrophobicContact CD1-CG 4.45Å; L91-L104 HydrophobicContact CD2-CD2 4.31Å; L91-L104 HydrophobicContact CD2-CG 4.02Å; R100-L104 WeakPolarHBondContact O-CG 3.5Å; R100-L104 PolarHBondContact O-N 3.32Å; Y101-L104 PolarHBondContact O-N 3.04Å; L104-S106 PolarHBondContact O-N 3.31Å; L104-L107 WeakPolarHBondContact O-CB 3.49Å; L104-L107 PolarHBondContact O-N 3.22Å; L104-L107 VanDerWaalsContact O-N 3.11Å; L104-Q108 PolarHBondContact O-N 3.16Å; L104-F115 HydrophobicContact CB-CE2 4.15Å; L104-F115 HydrophobicContact CD2-CD2 4.48Å; L104-F115 HydrophobicContact CD2-CE2 4.49Å; L104-F115 WeakPolarHBondContact O-CD2 3.49Å; L104-L118 HydrophobicContact CD2-CD2 3.59Å; L104-L129 HydrophobicContact CD1-CB 3.76Å; L104-L129 HydrophobicContact CD1-CD1 3.87Å; L104-L129 HydrophobicContact CD1-CG 4.49Å; L104-I130 HydrophobicContact CB-CG2 4.14Å; L104-I130 HydrophobicContact CD1-CG2 3.61Å; L104-I130 HydrophobicContact CG-CG2 4.47Å
105	T	95	Very high	95.8	Very high	23 Å²	23	36 Å²	36	14%	0.141	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-41.7	175.4	50	0	0	0	0	111.6	Y101 V102 L107 Q108 D109	Y101-T105 HydrophobicContact CD1-CG2 4.29Å; Y101-T105 HydrophobicContact CD2-CG2 4.25Å; Y101-T105 HydrophobicContact CE1-CG2 3.8Å; Y101-T105 HydrophobicContact CE2-CG2 3.82Å; Y101-T105 WeakPolarHBondContact O-CG2 3.45Å; Y101-T105 PolarHBondContact O-N 2.92Å; Y101-T105 PolarHBondContact O-OG1 2.79Å; V102-T105 WeakPolarHBondContact CA-OG1 3.38Å; V102-T105 PolarHBondContact O-OG1 3.28Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 3.43Å; T105-Q108 WeakPolarHBondContact O-CB 3.23Å; T105-Q108 PolarHBondContact O-N 3.1Å; T105-D109 VanDerWaalsContact O-CG 3.28Å; T105-D109 PolarHBondContact O-N 2.99Å
106	S	95.2	Very high	96	Very high	21 Å²	21	29.4 Å²	29.4	15%	0.147	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-27.2	173.3	-61.8	0	0	0	0	113.1	V102 Y103 L104 R110	V102-S106 WeakPolarHBondContact O-CB 3.48Å; V102-S106 PolarHBondContact O-N 3.32Å; V102-S106 PolarHBondContact O-OG 3.47Å; Y103-S106 PolarHBondContact O-N 3.25Å; L104-S106 PolarHBondContact O-N 3.31Å; S106-R110 WeakPolarHBondContact O-CG 3.34Å; S106-R110 PolarHBondContact O-NE 3.25Å
107	L	96.9	Very high	96.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-71.6	-49.2	172.2	176.3	62.7	0	0	0	110	M87 Y103 L104 T105 D109 R110 N111 L114 F115 L118	M87-L107 HydrophobicContact CB-CD2 4.44Å; M87-L107 HydrophobicContact CG-CD1 4.37Å; M87-L107 HydrophobicContact CG-CD2 3.89Å; M87-L107 HydrophobicContact SD-CD1 3.87Å; M87-L107 HydrophobicContact SD-CD2 4.18Å; Y103-L107 WeakPolarHBondContact O-CB 3.33Å; Y103-L107 PolarHBondContact O-N 2.93Å; L104-L107 WeakPolarHBondContact O-CB 3.49Å; L104-L107 PolarHBondContact O-N 3.22Å; L104-L107 VanDerWaalsContact O-N 3.11Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 3.43Å; L107-D109 PolarHBondContact O-N 3.19Å; L107-R110 PolarHBondContact O-N 2.67Å; L107-N111 PolarHBondContact O-N 3.48Å; L107-L114 HydrophobicContact CD1-CD2 3.84Å; L107-L114 HydrophobicContact CD1-CG 4.08Å; L107-L114 HydrophobicContact CD2-CG 4.38Å; L107-F115 HydrophobicContact CD2-CB 4.34Å; L107-F115 HydrophobicContact CG-CB 4.14Å; L107-L118 HydrophobicContact CD2-CD2 3.6Å
108	Q	96.2	Very high	96.3	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.028	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-36.2	175.2	-159.5	-176.8	15.6	0	0	111.5	L104 T105 R110 F115 Y116 R150	L104-Q108 PolarHBondContact O-N 3.16Å; T105-Q108 WeakPolarHBondContact O-CB 3.23Å; T105-Q108 PolarHBondContact O-N 3.1Å; Q108-R110 PolarHBondContact O-N 3.04Å; Q108-F115 HydrophobicContact CB-CB 4.01Å; Q108-F115 HydrophobicContact CB-CD1 4Å; Q108-F115 HydrophobicContact CB-CD2 3.73Å; Q108-F115 HydrophobicContact CB-CE1 4.4Å; Q108-F115 HydrophobicContact CB-CE2 4.15Å; Q108-F115 HydrophobicContact CB-CG 3.63Å; Q108-F115 HydrophobicContact CB-CZ 4.46Å; Q108-F115 HydrophobicContact CG-CB 4.2Å; Q108-F115 HydrophobicContact CG-CD1 3.51Å; Q108-F115 HydrophobicContact CG-CD2 4.18Å; Q108-F115 HydrophobicContact CG-CE1 3.82Å; Q108-F115 HydrophobicContact CG-CE2 4.44Å; Q108-F115 HydrophobicContact CG-CG 3.7Å; Q108-F115 HydrophobicContact CG-CZ 4.27Å; Q108-Y116 PolarHBondContact NE2-OH 3.19Å; Q108-R150 VanDerWaalsContact CD-CZ 3.48Å; Q108-R150 PolarHBondContact O-NH2 2.68Å
109	D	94.5	Very high	96.5	Very high	21 Å²	21	23.8 Å²	23.8	11%	0.112	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.2	179	-75.8	-14.7	0	0	0	113.8	P51 T105 L107 R148 R150	P51-D109 WeakPolarHBondContact CG-O 3.48Å; T105-D109 VanDerWaalsContact O-CG 3.28Å; T105-D109 PolarHBondContact O-N 2.99Å; L107-D109 PolarHBondContact O-N 3.19Å; D109-R148 PolarHBondContact O-NH1 3.46Å; D109-R150 IonicContact OD1-CZ 3.7Å; D109-R150 IonicContact OD1-NE 3.69Å; D109-R150 PolarHBondContact OD1-NE 2.7Å; D109-R150 IonicContact OD1-NH2 3.84Å; D109-R150 PolarHBondContact OD1-NH2 3.49Å
110	R	94.9	Very high	96.6	Very high	123 Å²	123	21.5 Å²	21.5	46%	0.464	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-31.7	-175.2	-66.8	178.9	-62.1	121	3.7	113.2	P51 N54 S106 L107 Q108	P51-R110 WeakPolarHBondContact CA-O 3.41Å; N54-R110 VanDerWaalsContact CB-O 3.26Å; N54-R110 WeakPolarHBondContact CB-O 3.3Å; N54-R110 PolarHBondContact ND2-O 2.86Å; S106-R110 WeakPolarHBondContact O-CG 3.34Å; S106-R110 PolarHBondContact O-NE 3.25Å; L107-R110 PolarHBondContact O-N 2.67Å; Q108-R110 PolarHBondContact O-N 3.04Å
111	N	96.8	Very high	96.6	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.027	11%	0.113	C	C	.	.			trans	-155.5	98.3	-177.9	-176.3	-26.1	0	0	0	109.1	N54 L107 L114 F115 Y584	N54-N111 PolarHBondContact O-ND2 2.85Å; N54-N111 PolarHBondContact O-OD1 3.33Å; L107-N111 PolarHBondContact O-N 3.48Å; N111-L114 HydrophobicContact CB-CB 4.09Å; N111-L114 WeakPolarHBondContact ND2-CB 3.43Å; N111-L114 VanDerWaalsContact OD1-CB 3.23Å; N111-L114 WeakPolarHBondContact OD1-CB 3.38Å; N111-L114 PolarHBondContact OD1-N 2.99Å; N111-F115 PolarHBondContact O-N 3Å; N111-F115 VanDerWaalsContact O-N 3.15Å; N111-Y584 PolarHBondContact ND2-OH 3.32Å
112	E	95.6	Very high	96.7	Very high	32 Å²	32	26.4 Å²	26.4	15%	0.15	13%	0.126	C	C	.	.	H	α-helix	trans	-70	-42.6	-173.3	-176	168.3	-103.4	0	0	112.2	P51 F115 Y116 P214	P51-E112 PolarHBondContact O-N 3.04Å; E112-F115 WeakPolarHBondContact O-CB 3.38Å; E112-F115 PolarHBondContact O-N 2.74Å; E112-Y116 HydrophobicContact CG-CD2 3.72Å; E112-Y116 HydrophobicContact CG-CE2 3.49Å; E112-Y116 VanDerWaalsContact CG-CE2 3.49Å; E112-Y116 VanDerWaalsContact O-CD2 3.29Å; E112-Y116 WeakPolarHBondContact O-CD2 3.37Å; E112-Y116 PolarHBondContact O-N 3.18Å; E112-P214 HydrophobicContact CG-CG 4.4Å; E112-P214 WeakPolarHBondContact OE2-CG 3.26Å
113	A	96.6	Very high	96.8	Very high	14 Å²	14	25.5 Å²	25.5	12%	0.116	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-44.5	178.2	0	0	0	0	0	111.9	F115 Y116 K117 Y584	A113-F115 VanDerWaalsContact C-N 3.35Å; A113-F115 PolarHBondContact O-N 3.35Å; A113-Y116 PolarHBondContact O-N 2.9Å; A113-K117 VanDerWaalsContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CB 3.34Å; A113-K117 PolarHBondContact O-N 3.24Å; A113-Y584 HydrophobicContact CB-CD1 3.93Å; A113-Y584 HydrophobicContact CB-CE1 3.75Å
114	L	98.3	Very high	96.6	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-37.9	176	178.2	57.2	0	0	0	112.3	L80 Q83 V84 M87 L107 N111 L118	L80-L114 HydrophobicContact CD1-CB 4.39Å; L80-L114 HydrophobicContact CD1-CD1 3.72Å; Q83-L114 HydrophobicContact CB-CD1 3.77Å; Q83-L114 HydrophobicContact CB-CD2 3.93Å; V84-L114 HydrophobicContact CG2-CD1 3.75Å; M87-L114 HydrophobicContact CG-CD1 4.47Å; M87-L114 HydrophobicContact CG-CD2 4.13Å; M87-L114 HydrophobicContact CG-CG 4.34Å; L107-L114 HydrophobicContact CD1-CD2 3.84Å; L107-L114 HydrophobicContact CD1-CG 4.08Å; L107-L114 HydrophobicContact CD2-CG 4.38Å; N111-L114 HydrophobicContact CB-CB 4.09Å; N111-L114 WeakPolarHBondContact ND2-CB 3.43Å; N111-L114 VanDerWaalsContact OD1-CB 3.23Å; N111-L114 WeakPolarHBondContact OD1-CB 3.38Å; N111-L114 PolarHBondContact OD1-N 2.99Å; L114-L118 VanDerWaalsContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 PolarHBondContact O-N 3.4Å
115	F	98.2	Very high	96.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-52.1	173.3	166.8	-96.3	0	0	0	111.2	L104 L107 Q108 N111 E112 A113 L118 V119 I130	L104-F115 HydrophobicContact CB-CE2 4.15Å; L104-F115 HydrophobicContact CD2-CD2 4.48Å; L104-F115 HydrophobicContact CD2-CE2 4.49Å; L104-F115 WeakPolarHBondContact O-CD2 3.49Å; L107-F115 HydrophobicContact CD2-CB 4.34Å; L107-F115 HydrophobicContact CG-CB 4.14Å; Q108-F115 HydrophobicContact CB-CB 4.01Å; Q108-F115 HydrophobicContact CB-CD1 4Å; Q108-F115 HydrophobicContact CB-CD2 3.73Å; Q108-F115 HydrophobicContact CB-CE1 4.4Å; Q108-F115 HydrophobicContact CB-CE2 4.15Å; Q108-F115 HydrophobicContact CB-CG 3.63Å; Q108-F115 HydrophobicContact CB-CZ 4.46Å; Q108-F115 HydrophobicContact CG-CB 4.2Å; Q108-F115 HydrophobicContact CG-CD1 3.51Å; Q108-F115 HydrophobicContact CG-CD2 4.18Å; Q108-F115 HydrophobicContact CG-CE1 3.82Å; Q108-F115 HydrophobicContact CG-CE2 4.44Å; Q108-F115 HydrophobicContact CG-CG 3.7Å; Q108-F115 HydrophobicContact CG-CZ 4.27Å; N111-F115 PolarHBondContact O-N 3Å; N111-F115 VanDerWaalsContact O-N 3.15Å; E112-F115 WeakPolarHBondContact O-CB 3.38Å; E112-F115 PolarHBondContact O-N 2.74Å; A113-F115 VanDerWaalsContact C-N 3.35Å; A113-F115 PolarHBondContact O-N 3.35Å; F115-L118 WeakPolarHBondContact O-CB 3.09Å; F115-L118 PolarHBondContact O-N 2.85Å; F115-V119 HydrophobicContact CD2-CG2 4.24Å; F115-V119 HydrophobicContact CE1-CG2 4.21Å; F115-V119 HydrophobicContact CE2-CG2 3.87Å; F115-V119 HydrophobicContact CZ-CG2 3.87Å; F115-V119 WeakPolarHBondContact O-CG2 3.17Å; F115-V119 PolarHBondContact O-N 2.8Å; F115-I130 HydrophobicContact CE2-CG2 4.21Å; F115-I130 HydrophobicContact CZ-CD1 4.28Å; F115-I130 HydrophobicContact CZ-CG2 4.29Å
116	Y	98.3	Very high	96.6	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.027	14%	0.144	C	C	.	.	H	α-helix	trans	-68	-38.1	-178.3	-75.9	-60	0	0	0	112.7	Q108 E112 A113 L118 V119 I120 T207 A208 P214 Y580	Q108-Y116 PolarHBondContact NE2-OH 3.19Å; E112-Y116 HydrophobicContact CG-CD2 3.72Å; E112-Y116 HydrophobicContact CG-CE2 3.49Å; E112-Y116 VanDerWaalsContact CG-CE2 3.49Å; E112-Y116 VanDerWaalsContact O-CD2 3.29Å; E112-Y116 WeakPolarHBondContact O-CD2 3.37Å; E112-Y116 PolarHBondContact O-N 3.18Å; A113-Y116 PolarHBondContact O-N 2.9Å; Y116-L118 VanDerWaalsContact C-N 3.33Å; Y116-L118 PolarHBondContact O-N 2.94Å; Y116-V119 PolarHBondContact O-N 3.43Å; Y116-I120 VanDerWaalsContact O-CB 3.3Å; Y116-I120 WeakPolarHBondContact O-CB 3.43Å; Y116-I120 WeakPolarHBondContact O-CD1 3.48Å; Y116-I120 WeakPolarHBondContact O-CG1 3.38Å; Y116-I120 PolarHBondContact O-N 2.8Å; Y116-T207 HydrophobicContact CD1-CG2 3.56Å; Y116-T207 HydrophobicContact CD2-CG2 3.92Å; Y116-T207 VanDerWaalsContact CE1-CB 3.42Å; Y116-T207 HydrophobicContact CE1-CG2 3.4Å; Y116-T207 VanDerWaalsContact CE1-CG2 3.4Å; Y116-T207 HydrophobicContact CE2-CG2 3.76Å; Y116-T207 HydrophobicContact CG-CG2 3.83Å; Y116-T207 VanDerWaalsContact CZ-CG2 3.5Å; Y116-A208 HydrophobicContact CD1-CB 4.36Å; Y116-P214 HydrophobicContact CD2-CG 4.36Å; Y116-P214 HydrophobicContact CE2-CB 3.66Å; Y116-P214 HydrophobicContact CE2-CG 3.77Å; Y116-Y580 AromaticContact CD2-CE1 3.75Å; Y116-Y580 HydrophobicContact CD2-CE1 3.75Å; Y116-Y580 AromaticContact CG-CE1 3.96Å; Y116-Y580 HydrophobicContact CG-CE1 3.96Å
117	K	98.3	Very high	96.6	Very high	26 Å²	26	30.2 Å²	30.2	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-56.3	-48.6	173.2	-176.2	72.8	159.7	162.3	0	111	L80 D81 V84 A113 I120 E121 P582 N583	L80-K117 HydrophobicContact CD1-CB 4.21Å; L80-K117 HydrophobicContact CD1-CG 4.06Å; L80-K117 HydrophobicContact CD2-CB 4.33Å; L80-K117 HydrophobicContact CD2-CD 3.89Å; L80-K117 HydrophobicContact CD2-CG 3.87Å; L80-K117 HydrophobicContact CG-CB 4.48Å; L80-K117 HydrophobicContact CG-CD 4.32Å; L80-K117 HydrophobicContact CG-CG 3.87Å; D81-K117 IonicContact OD1-NZ 2.71Å; V84-K117 HydrophobicContact CG2-CB 4.21Å; V84-K117 HydrophobicContact CG2-CG 3.57Å; A113-K117 VanDerWaalsContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CB 3.34Å; A113-K117 PolarHBondContact O-N 3.24Å; K117-I120 PolarHBondContact O-N 2.92Å; K117-E121 HydrophobicContact CD-CG 4.44Å; K117-E121 WeakPolarHBondContact CD-OE1 3.45Å; K117-E121 WeakPolarHBondContact CE-OE1 3.42Å; K117-E121 IonicContact NZ-OE1 3.41Å; K117-E121 PolarHBondContact NZ-OE1 3.29Å; K117-E121 WeakPolarHBondContact O-CB 3.43Å; K117-E121 WeakPolarHBondContact O-CG 3.42Å; K117-E121 PolarHBondContact O-N 2.67Å; K117-P582 HydrophobicContact CB-CB 3.99Å; K117-P582 HydrophobicContact CB-CG 4.16Å; K117-P582 HydrophobicContact CD-CG 4Å; K117-N583 PolarHBondContact NZ-OD1 3.24Å
118	L	98.4	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-47.7	177.6	177.4	70.4	0	0	0	112.2	V84 M87 M88 L91 L104 L107 L114 F115 Y116 H122	V84-L118 HydrophobicContact CG1-CD1 3.87Å; M87-L118 HydrophobicContact CB-CD1 4.04Å; M87-L118 HydrophobicContact CB-CD2 3.81Å; M87-L118 HydrophobicContact CG-CD2 4.49Å; M88-L118 HydrophobicContact CG-CD1 3.45Å; M88-L118 VanDerWaalsContact CG-CD1 3.45Å; M88-L118 HydrophobicContact SD-CD1 3.45Å; M88-L118 WeakPolarHBondContact SD-CD1 3.48Å; M88-L118 HydrophobicContact SD-CG 4.42Å; L91-L118 HydrophobicContact CD1-CD2 4.02Å; L104-L118 HydrophobicContact CD2-CD2 3.59Å; L107-L118 HydrophobicContact CD2-CD2 3.6Å; L114-L118 VanDerWaalsContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 PolarHBondContact O-N 3.4Å; F115-L118 WeakPolarHBondContact O-CB 3.09Å; F115-L118 PolarHBondContact O-N 2.85Å; Y116-L118 VanDerWaalsContact C-N 3.33Å; Y116-L118 PolarHBondContact O-N 2.94Å; L118-H122 WeakPolarHBondContact O-CB 3.47Å; L118-H122 PolarHBondContact O-N 3.09Å
119	V	98.1	Very high	96.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-41.2	-179.7	175.8	0	0	0	0	111.2	F115 Y116 H122 V123 C126 I130 A208	F115-V119 HydrophobicContact CD2-CG2 4.24Å; F115-V119 HydrophobicContact CE1-CG2 4.21Å; F115-V119 HydrophobicContact CE2-CG2 3.87Å; F115-V119 HydrophobicContact CZ-CG2 3.87Å; F115-V119 WeakPolarHBondContact O-CG2 3.17Å; F115-V119 PolarHBondContact O-N 2.8Å; Y116-V119 PolarHBondContact O-N 3.43Å; V119-H122 CarbonylContact O-C 3.57Å; V119-V123 WeakPolarHBondContact O-CA 3.43Å; V119-V123 WeakPolarHBondContact O-CB 3.47Å; V119-V123 PolarHBondContact O-N 3.31Å; V119-C126 HydrophobicContact CB-CB 4.34Å; V119-C126 HydrophobicContact CG1-CB 4.25Å; V119-C126 HydrophobicContact CG2-CB 4.1Å; V119-I130 HydrophobicContact CG1-CD1 3.81Å; V119-I130 HydrophobicContact CG2-CD1 4.13Å; V119-A208 HydrophobicContact CB-CB 4.41Å; V119-A208 HydrophobicContact CG1-CB 3.63Å
120	I	97.6	Very high	96.3	Very high	43 Å²	43	31.2 Å²	31.2	22%	0.221	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-46.9	-179.9	-73.1	163.6	0	0	0	110.9	Y116 K117 H122 A208 P582	Y116-I120 VanDerWaalsContact O-CB 3.3Å; Y116-I120 WeakPolarHBondContact O-CB 3.43Å; Y116-I120 WeakPolarHBondContact O-CD1 3.48Å; Y116-I120 WeakPolarHBondContact O-CG1 3.38Å; Y116-I120 PolarHBondContact O-N 2.8Å; K117-I120 PolarHBondContact O-N 2.92Å; I120-H122 VanDerWaalsContact C-N 3.35Å; I120-H122 PolarHBondContact O-N 3.36Å; I120-A208 HydrophobicContact CG1-CB 4.26Å; I120-A208 WeakPolarHBondContact CG1-O 3.46Å; I120-P582 HydrophobicContact CD1-CB 4.36Å; I120-P582 HydrophobicContact CD1-CG 3.73Å
121	E	97	Very high	96	Very high	86 Å²	86	26 Å²	26	40%	0.402	13%	0.126	S	C	.	.	H	α-helix	trans	-74.6	-25.1	-177.8	-69.3	-174.6	170.9	0	0	113.5	K117	K117-E121 HydrophobicContact CD-CG 4.44Å; K117-E121 WeakPolarHBondContact CD-OE1 3.45Å; K117-E121 WeakPolarHBondContact CE-OE1 3.42Å; K117-E121 IonicContact NZ-OE1 3.41Å; K117-E121 PolarHBondContact NZ-OE1 3.29Å; K117-E121 WeakPolarHBondContact O-CB 3.43Å; K117-E121 WeakPolarHBondContact O-CG 3.42Å; K117-E121 PolarHBondContact O-N 2.67Å
122	H	97.4	Very high	95.4	Very high	69 Å²	69	26.3 Å²	26.3	32%	0.319	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	42.4	-178.6	-60.8	-70.2	0	0	0	112	M88 L118 V119 I120 E124 Y125 C126	M88-H122 HydrophobicContact CE-CB 4.01Å; M88-H122 WeakPolarHBondContact CG-CD2 3.2Å; M88-H122 WeakPolarHBondContact CG-NE2 3.5Å; M88-H122 HydrophobicContact SD-CB 3.83Å; M88-H122 VanDerWaalsContact SD-CD2 3.59Å; L118-H122 WeakPolarHBondContact O-CB 3.47Å; L118-H122 PolarHBondContact O-N 3.09Å; V119-H122 CarbonylContact O-C 3.57Å; I120-H122 VanDerWaalsContact C-N 3.35Å; I120-H122 PolarHBondContact O-N 3.36Å; H122-E124 VanDerWaalsContact C-N 3.34Å; H122-E124 PolarHBondContact O-N 3.03Å; H122-Y125 PolarHBondContact O-N 3.26Å; H122-C126 WeakPolarHBondContact O-CB 3.04Å; H122-C126 PolarHBondContact O-N 3.34Å; H122-C126 PolarHBondContact O-SG 3.05Å; H122-C126 VanDerWaalsContact O-SG 3.41Å
123	V	96.2	Very high	95	Very high	10 Å²	10	27.5 Å²	27.5	6%	0.061	14%	0.138	C	C	.	.	H	α-helix	trans	-55.7	-43.2	-173	64.3	0	0	0	0	113.3	V119 Y125 C126 M127 L209 L538 I541	V119-V123 WeakPolarHBondContact O-CA 3.43Å; V119-V123 WeakPolarHBondContact O-CB 3.47Å; V119-V123 PolarHBondContact O-N 3.31Å; V123-Y125 PolarHBondContact O-N 3.27Å; V123-C126 PolarHBondContact O-N 3.15Å; V123-M127 HydrophobicContact CG2-CB 4.36Å; V123-M127 WeakPolarHBondContact O-CB 3.4Å; V123-M127 PolarHBondContact O-N 2.93Å; V123-L209 HydrophobicContact CG2-CD2 3.69Å; V123-L538 WeakPolarHBondContact CG1-O 3.26Å; V123-I541 HydrophobicContact CG2-CG2 4.19Å
124	E	93.2	Very high	94.8	Very high	107 Å²	107	27.1 Å²	27.1	50%	0.5	13%	0.134	S	C	.	.	H	α-helix	trans	-59.7	-34.4	177.9	-75.4	175.8	162.6	0	0	112.7	H122 P128 L538	H122-E124 VanDerWaalsContact C-N 3.34Å; H122-E124 PolarHBondContact O-N 3.03Å; E124-P128 WeakPolarHBondContact O-CD 3.47Å; E124-L538 HydrophobicContact CG-CB 3.78Å; E124-L538 HydrophobicContact CG-CD1 4.49Å
125	Y	95	Very high	94.5	Very high	74 Å²	74	26.9 Å²	26.9	29%	0.29	13%	0.133	S	C	.	.	H	α-helix	trans	-85.4	-41.3	178.9	-174.2	-89.7	0	0	0	112.2	M88 L91 R100 H122 V123 L129	M88-Y125 HydrophobicContact CE-CD1 3.75Å; M88-Y125 HydrophobicContact CE-CE1 4.22Å; M88-Y125 HydrophobicContact CE-CG 3.98Å; M88-Y125 HydrophobicContact SD-CD1 4.37Å; L91-Y125 HydrophobicContact CB-CE1 3.95Å; L91-Y125 HydrophobicContact CD1-CE1 4.25Å; L91-Y125 PolarHBondContact O-OH 3.15Å; R100-Y125 WeakPolarHBondContact CD-OH 3.45Å; R100-Y125 PolarHBondContact NE-OH 3.17Å; H122-Y125 PolarHBondContact O-N 3.26Å; V123-Y125 PolarHBondContact O-N 3.27Å; Y125-L129 HydrophobicContact CD1-CD1 4.02Å; Y125-L129 HydrophobicContact CE1-CD1 3.7Å
126	C	96.8	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-83.8	-34	-171.3	-64	0	0	0	0	113.2	V119 H122 V123 L129 I130	V119-C126 HydrophobicContact CB-CB 4.34Å; V119-C126 HydrophobicContact CG1-CB 4.25Å; V119-C126 HydrophobicContact CG2-CB 4.1Å; H122-C126 WeakPolarHBondContact O-CB 3.04Å; H122-C126 PolarHBondContact O-N 3.34Å; H122-C126 PolarHBondContact O-SG 3.05Å; H122-C126 VanDerWaalsContact O-SG 3.41Å; V123-C126 PolarHBondContact O-N 3.15Å; C126-L129 WeakPolarHBondContact O-CA 3.48Å; C126-L129 VanDerWaalsContact O-CB 3.31Å; C126-L129 WeakPolarHBondContact O-CB 3.34Å; C126-L129 PolarHBondContact O-N 3.29Å; C126-I130 PolarHBondContact O-N 2.91Å; C126-I130 VanDerWaalsContact O-N 3.11Å
127	M	94.3	Very high	93.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-45.7	-175.8	-172.3	-177.4	82.6	0	0	112.5	V123 L129 I130 Y131 L205 L209 L538	V123-M127 HydrophobicContact CG2-CB 4.36Å; V123-M127 WeakPolarHBondContact O-CB 3.4Å; V123-M127 PolarHBondContact O-N 2.93Å; M127-L129 PolarHBondContact O-N 3.09Å; M127-L129 VanDerWaalsContact O-N 3.09Å; M127-I130 PolarHBondContact O-N 3.21Å; M127-Y131 WeakPolarHBondContact O-CB 3.38Å; M127-Y131 PolarHBondContact O-N 3.21Å; M127-L205 HydrophobicContact CG-CD2 4.03Å; M127-L209 HydrophobicContact SD-CD1 4.46Å; M127-L538 HydrophobicContact CE-CD1 3.48Å; M127-L538 VanDerWaalsContact CE-CD1 3.48Å; M127-L538 HydrophobicContact CE-CD2 3.73Å; M127-L538 HydrophobicContact CE-CG 4.27Å; M127-L538 HydrophobicContact SD-CD2 4.22Å
128	P	92.4	Very high	93.6	Very high	38 Å²	38	28.1 Å²	28.1	25%	0.247	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-14.9	176.1	-21.7	34.7	0	0	0	114.5	E124 T132 T134	E124-P128 WeakPolarHBondContact O-CD 3.47Å; P128-T132 WeakPolarHBondContact CA-O 3.37Å; P128-T134 WeakPolarHBondContact O-CB 3.33Å; P128-T134 PolarHBondContact O-N 3.18Å; P128-T134 PolarHBondContact O-OG1 2.87Å
129	L	95.1	Very high	93.4	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-87.9	-44.9	178.6	-58.4	175.4	0	0	0	111.9	N97 R100 Y101 L104 Y125 C126 M127 T134	N97-L129 HydrophobicContact CB-CD2 3.88Å; N97-L129 WeakPolarHBondContact OD1-CD2 3.27Å; R100-L129 HydrophobicContact CB-CD1 3.9Å; R100-L129 HydrophobicContact CB-CD2 3.97Å; R100-L129 HydrophobicContact CB-CG 4.49Å; Y101-L129 WeakPolarHBondContact CD2-O 3.47Å; L104-L129 HydrophobicContact CD1-CB 3.76Å; L104-L129 HydrophobicContact CD1-CD1 3.87Å; L104-L129 HydrophobicContact CD1-CG 4.49Å; Y125-L129 HydrophobicContact CD1-CD1 4.02Å; Y125-L129 HydrophobicContact CE1-CD1 3.7Å; C126-L129 WeakPolarHBondContact O-CA 3.48Å; C126-L129 VanDerWaalsContact O-CB 3.31Å; C126-L129 WeakPolarHBondContact O-CB 3.34Å; C126-L129 PolarHBondContact O-N 3.29Å; M127-L129 PolarHBondContact O-N 3.09Å; M127-L129 VanDerWaalsContact O-N 3.09Å; L129-T134 VanDerWaalsContact O-CB 3.25Å; L129-T134 WeakPolarHBondContact O-CB 3.37Å; L129-T134 WeakPolarHBondContact O-CG2 3.34Å
130	I	94.2	Very high	93.2	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-89.3	-11.5	-178.5	64.9	174.3	0	0	0	113.6	L104 F115 V119 C126 M127 L205	L104-I130 HydrophobicContact CB-CG2 4.14Å; L104-I130 HydrophobicContact CD1-CG2 3.61Å; L104-I130 HydrophobicContact CG-CG2 4.47Å; F115-I130 HydrophobicContact CE2-CG2 4.21Å; F115-I130 HydrophobicContact CZ-CD1 4.28Å; F115-I130 HydrophobicContact CZ-CG2 4.29Å; V119-I130 HydrophobicContact CG1-CD1 3.81Å; V119-I130 HydrophobicContact CG2-CD1 4.13Å; C126-I130 PolarHBondContact O-N 2.91Å; C126-I130 VanDerWaalsContact O-N 3.11Å; M127-I130 PolarHBondContact O-N 3.21Å; I130-L205 HydrophobicContact CD1-CD2 4.04Å; I130-L205 HydrophobicContact CG1-CD2 4.41Å
131	Y	88.9	Confident	93	Very high	13 Å²	13	37.3 Å²	37.3	5%	0.051	18%	0.177	C	C	.	.	S	Bend	trans	-131.7	-151.2	177.4	-168.9	-123.8	0	0	0	109.6	M127 T134 V135 K202 L205	M127-Y131 WeakPolarHBondContact O-CB 3.38Å; M127-Y131 PolarHBondContact O-N 3.21Å; Y131-T134 PolarHBondContact O-N 2.6Å; Y131-V135 HydrophobicContact CD2-CG1 4.26Å; Y131-V135 WeakPolarHBondContact O-CB 3.47Å; Y131-V135 WeakPolarHBondContact O-CG1 3.49Å; Y131-V135 PolarHBondContact O-N 3.34Å; Y131-K202 HydrophobicContact CE2-CD 4Å; Y131-K202 HydrophobicContact CE2-CG 4.35Å; Y131-K202 WeakPolarHBondContact OH-CE 3.48Å; Y131-K202 PolarHBondContact OH-NZ 3.19Å; Y131-L205 HydrophobicContact CD1-CD1 3.71Å; Y131-L205 HydrophobicContact CD2-CD1 4.05Å; Y131-L205 HydrophobicContact CE1-CD1 4.27Å; Y131-L205 HydrophobicContact CG-CD1 3.59Å
132	T	83.3	Confident	92.7	Very high	12 Å²	12	33.7 Å²	33.7	7%	0.074	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	132.9	-175.8	-55.6	0	0	0	0	111.6	P128	P128-T132 WeakPolarHBondContact CA-O 3.37Å
133	P	87	Confident	92.2	Very high	57 Å²	57	31.3 Å²	31.3	37%	0.37	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.8	-12.8	9.5	35.7	-35.6	0	0	0	115.6	V135 G136	P133-V135 PolarHBondContact O-N 2.99Å; P133-G136 PolarHBondContact O-N 3.4Å
134	T	92.8	Very high	91.6	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-32.6	-167.7	-54.1	0	0	0	0	113.1	N97 Y101 P128 L129 Y131 G136 L137 A138	N97-T134 HydrophobicContact CB-CG2 3.85Å; N97-T134 WeakPolarHBondContact O-CG2 2.9Å; Y101-T134 HydrophobicContact CG-CG2 4.44Å; P128-T134 WeakPolarHBondContact O-CB 3.33Å; P128-T134 PolarHBondContact O-N 3.18Å; P128-T134 PolarHBondContact O-OG1 2.87Å; L129-T134 VanDerWaalsContact O-CB 3.25Å; L129-T134 WeakPolarHBondContact O-CB 3.37Å; L129-T134 WeakPolarHBondContact O-CG2 3.34Å; Y131-T134 PolarHBondContact O-N 2.6Å; T134-G136 PolarHBondContact O-N 2.95Å; T134-L137 WeakPolarHBondContact O-CB 3.32Å; T134-L137 PolarHBondContact O-N 2.88Å; T134-L137 VanDerWaalsContact O-N 3.12Å; T134-A138 PolarHBondContact O-N 3.14Å
135	V	91.9	Very high	91.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-33.8	176.3	73.9	0	0	0	0	112.1	Y131 P133 A138 C139 L186 G197 I198	Y131-V135 HydrophobicContact CD2-CG1 4.26Å; Y131-V135 WeakPolarHBondContact O-CB 3.47Å; Y131-V135 WeakPolarHBondContact O-CG1 3.49Å; Y131-V135 PolarHBondContact O-N 3.34Å; P133-V135 PolarHBondContact O-N 2.99Å; V135-A138 WeakPolarHBondContact O-CB 3.44Å; V135-A138 PolarHBondContact O-N 2.76Å; V135-C139 PolarHBondContact O-N 2.93Å; V135-C139 PolarHBondContact O-SG 3.38Å; V135-L186 HydrophobicContact CG1-CD1 4.27Å; V135-G197 WeakPolarHBondContact CG2-O 3.17Å; V135-I198 HydrophobicContact CG1-CD1 3.79Å; V135-I198 HydrophobicContact CG2-CD1 4.18Å
136	G	91.1	Very high	91	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-44.6	175.4	0	0	0	0	0	111.7	P133 T134 A138 C139 Q140 L188	P133-G136 PolarHBondContact O-N 3.4Å; T134-G136 PolarHBondContact O-N 2.95Å; G136-A138 VanDerWaalsContact C-N 3.32Å; G136-A138 PolarHBondContact O-N 2.71Å; G136-C139 PolarHBondContact O-N 2.82Å; G136-Q140 WeakPolarHBondContact O-CG 3.46Å; G136-Q140 PolarHBondContact O-N 3.39Å; G136-L188 WeakPolarHBondContact O-CD1 3.41Å
137	L	92	Very high	90.5	Very high	59 Å²	59	41.2 Å²	41.2	31%	0.309	20%	0.203	S	C	.	.	H	α-helix	trans	-63.9	-37.9	174.2	178.6	61.2	0	0	0	111.9	L98 T134 Q140 R141	L98-L137 HydrophobicContact CB-CD2 3.97Å; L98-L137 HydrophobicContact CD1-CG 4.38Å; L98-L137 HydrophobicContact CD2-CG 4.49Å; T134-L137 WeakPolarHBondContact O-CB 3.32Å; T134-L137 PolarHBondContact O-N 2.88Å; T134-L137 VanDerWaalsContact O-N 3.12Å; L137-Q140 PolarHBondContact O-N 3.28Å; L137-R141 PolarHBondContact O-N 3.38Å
138	A	93.6	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-40.2	174.5	0	0	0	0	0	111.9	L98 Y101 T134 V135 G136 R141 Y142	L98-A138 HydrophobicContact CD1-CB 4.22Å; Y101-A138 HydrophobicContact CD1-CB 3.66Å; Y101-A138 HydrophobicContact CD2-CB 4.47Å; Y101-A138 HydrophobicContact CE1-CB 3.36Å; Y101-A138 HydrophobicContact CE2-CB 4.2Å; Y101-A138 HydrophobicContact CG-CB 4.21Å; T134-A138 PolarHBondContact O-N 3.14Å; V135-A138 WeakPolarHBondContact O-CB 3.44Å; V135-A138 PolarHBondContact O-N 2.76Å; G136-A138 VanDerWaalsContact C-N 3.32Å; G136-A138 PolarHBondContact O-N 2.71Å; A138-R141 CarbonylContact O-C 3.51Å; A138-R141 PolarHBondContact O-N 2.87Å; A138-Y142 VanDerWaalsContact O-CA 3.24Å; A138-Y142 WeakPolarHBondContact O-CA 3.37Å; A138-Y142 PolarHBondContact O-N 3.17Å
139	C	94.7	Very high	90.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-47.2	174.2	-64.3	0	0	0	0	110.9	V135 G136 R141 Y142 I185 L191 Y194	V135-C139 PolarHBondContact O-N 2.93Å; V135-C139 PolarHBondContact O-SG 3.38Å; G136-C139 PolarHBondContact O-N 2.82Å; C139-R141 PolarHBondContact O-N 3.16Å; C139-Y142 WeakPolarHBondContact O-CB 3.33Å; C139-Y142 PolarHBondContact O-N 2.97Å; C139-I185 HydrophobicContact CB-CG2 4.36Å; C139-L191 HydrophobicContact CB-CD1 3.62Å; C139-Y194 WeakPolarHBondContact CB-O 3.2Å; C139-Y194 VanDerWaalsContact O-CB 3.29Å; C139-Y194 WeakPolarHBondContact O-CB 3.47Å; C139-Y194 WeakPolarHBondContact O-CD2 3.35Å
140	Q	93.2	Very high	90.1	Very high	94 Å²	94	51.1 Å²	51.1	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-57.4	-25.9	177.3	-69.3	178.8	-54.6	0	0	113.8	G136 L137 L188 L191	G136-Q140 WeakPolarHBondContact O-CG 3.46Å; G136-Q140 PolarHBondContact O-N 3.39Å; L137-Q140 PolarHBondContact O-N 3.28Å; Q140-L188 HydrophobicContact CG-CD1 3.92Å; Q140-L191 HydrophobicContact CG-CD1 4.31Å; Q140-L191 HydrophobicContact CG-CD2 4.48Å
141	R	92.1	Very high	90.2	Very high	143 Å²	143	51.1 Å²	51.1	54%	0.54	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	20.7	-179.5	-62.5	-175.2	175.6	-173.7	-0.7	112.9	L137 A138 C139 G143 V144 V145	L137-R141 PolarHBondContact O-N 3.38Å; A138-R141 CarbonylContact O-C 3.51Å; A138-R141 PolarHBondContact O-N 2.87Å; C139-R141 PolarHBondContact O-N 3.16Å; R141-G143 VanDerWaalsContact C-N 3.32Å; R141-G143 PolarHBondContact O-N 2.98Å; R141-V144 PolarHBondContact O-N 2.75Å; R141-V145 HydrophobicContact CB-CG2 4.14Å; R141-V145 WeakPolarHBondContact O-CG2 3.17Å; R141-V145 PolarHBondContact O-N 3.31Å
142	Y	91.8	Very high	90.7	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.039	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-39.6	-164.9	-164.3	-91.7	0	0	0	112.9	A138 C139 V144 V145 F146 Y153 Y194 M196	A138-Y142 VanDerWaalsContact O-CA 3.24Å; A138-Y142 WeakPolarHBondContact O-CA 3.37Å; A138-Y142 PolarHBondContact O-N 3.17Å; C139-Y142 WeakPolarHBondContact O-CB 3.33Å; C139-Y142 PolarHBondContact O-N 2.97Å; Y142-V144 PolarHBondContact O-N 3.22Å; Y142-V145 CarbonylContact O-C 3.48Å; Y142-V145 PolarHBondContact O-N 2.64Å; Y142-F146 HydrophobicContact CD1-CB 4.32Å; Y142-F146 HydrophobicContact CE1-CB 4.18Å; Y142-F146 AromaticContact CE1-CD2 3.75Å; Y142-F146 HydrophobicContact CE1-CD2 3.75Å; Y142-F146 HydrophobicContact CE1-CG 4.36Å; Y142-F146 WeakPolarHBondContact O-CB 3.31Å; Y142-F146 PolarHBondContact O-N 2.6Å; Y142-Y153 VanDerWaalsContact CE1-OH 3.27Å; Y142-Y153 WeakPolarHBondContact CE1-OH 3.44Å; Y142-Y153 PolarHBondContact OH-OH 2.96Å; Y142-Y194 HydrophobicContact CD1-CD1 4.21Å; Y142-Y194 HydrophobicContact CG-CD1 4.37Å; Y142-M196 HydrophobicContact CE1-CB 4.38Å; Y142-M196 HydrophobicContact CE2-CB 4.32Å
143	G	86	Confident	91.4	Very high	19 Å²	19	54.2 Å²	54.2	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-28.5	177.6	0	0	0	0	0	114.2	R141 Y194	R141-G143 VanDerWaalsContact C-N 3.32Å; R141-G143 PolarHBondContact O-N 2.98Å; G143-Y194 WeakPolarHBondContact CA-OH 3.24Å; G143-Y194 VanDerWaalsContact N-CE1 3.28Å; G143-Y194 PolarHBondContact N-OH 3.47Å
144	V	85.1	Confident	91.9	Very high	119 Å²	119	51.5 Å²	51.5	72%	0.721	24%	0.243	S	C	*	.	H	α-helix	trans	-86.2	-29.2	175	-177.8	0	0	0	0	111.6	R141 Y142 V236	R141-V144 PolarHBondContact O-N 2.75Å; Y142-V144 PolarHBondContact O-N 3.22Å; V144-V236 HydrophobicContact CG2-CG2 4.4Å
145	V	86.3	Confident	92.2	Very high	20 Å²	20	52.4 Å²	52.4	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-87.1	-23.5	-176.1	174.1	0	0	0	0	112.3	L98 Y101 V102 R141 Y142 R147	L98-V145 HydrophobicContact CD1-CG2 4.17Å; Y101-V145 HydrophobicContact CD1-CG1 4.24Å; Y101-V145 HydrophobicContact CE1-CG1 3.82Å; V102-V145 HydrophobicContact CG2-CG1 4.05Å; R141-V145 HydrophobicContact CB-CG2 4.14Å; R141-V145 WeakPolarHBondContact O-CG2 3.17Å; R141-V145 PolarHBondContact O-N 3.31Å; Y142-V145 CarbonylContact O-C 3.48Å; Y142-V145 PolarHBondContact O-N 2.64Å; V145-R147 PolarHBondContact O-N 3.16Å
146	F	89.1	Confident	92.5	Very high	85 Å²	85	52.5 Å²	52.5	37%	0.373	25%	0.249	S	C	.	.			trans	-60.3	128.5	-177.7	178.9	-98.4	0	0	0	111.7	Y142	Y142-F146 HydrophobicContact CD1-CB 4.32Å; Y142-F146 HydrophobicContact CE1-CB 4.18Å; Y142-F146 AromaticContact CE1-CD2 3.75Å; Y142-F146 HydrophobicContact CE1-CD2 3.75Å; Y142-F146 HydrophobicContact CE1-CG 4.36Å; Y142-F146 WeakPolarHBondContact O-CB 3.31Å; Y142-F146 PolarHBondContact O-N 2.6Å
147	R	86	Confident	92.8	Very high	175 Å²	175	57.6 Å²	57.6	66%	0.66	27%	0.272	S	S	*	.			trans	-134.8	-36.6	-178.9	-70	-178	-178.2	-153.6	-3.4	113.8	V145	V145-R147 PolarHBondContact O-N 3.16Å
148	R	89.4	Confident	93.1	Very high	118 Å²	118	57 Å²	57	45%	0.445	27%	0.269	S	S	.	.	S	Bend	trans	-145.2	139.8	-176.8	-167.9	176.8	-179.2	140.9	3.7	109.9	D109	D109-R148 PolarHBondContact O-NH1 3.46Å
149	P	91.2	Very high	93.3	Very high	90 Å²	90	59.3 Å²	59.3	58%	0.584	28%	0.278	S	S	*	.			trans	-66.2	134.4	173.2	27.5	-34.7	0	0	0	110.8
150	R	92.3	Very high	93.5	Very high	46 Å²	46	63.9 Å²	63.9	17%	0.174	30%	0.299	C	S	.	.			trans	-126.7	11.4	177.1	-77.7	-170.3	165.2	-78.7	-10.2	113.8	Q108 D109 I200 P219	Q108-R150 VanDerWaalsContact CD-CZ 3.48Å; Q108-R150 PolarHBondContact O-NH2 2.68Å; D109-R150 IonicContact OD1-CZ 3.7Å; D109-R150 IonicContact OD1-NE 3.69Å; D109-R150 PolarHBondContact OD1-NE 2.7Å; D109-R150 IonicContact OD1-NH2 3.84Å; D109-R150 PolarHBondContact OD1-NH2 3.49Å; R150-I200 HydrophobicContact CB-CD1 3.84Å; R150-I200 HydrophobicContact CB-CG1 4.11Å; R150-P219 VanDerWaalsContact O-CD 3.25Å; R150-P219 WeakPolarHBondContact O-CD 3.47Å; R150-P219 WeakPolarHBondContact O-CG 3.25Å
151	G	96.8	Very high	93.7	Very high	6 Å²	6	64.5 Å²	64.5	6%	0.062	30%	0.302	C	S	.	.	S	Bend	trans	-179.4	-169.7	178.5	0	0	0	0	0	110.2	P219	G151-P219 CarbonylContact C-O 3.57Å; G151-P219 WeakPolarHBondContact CA-O 3.35Å
152	L	98.2	Very high	94.1	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.099	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.1	-176.5	-64.7	174.2	0	0	0	111.6	I165 L166 W169 L218 P219 I220 L221	L152-I165 HydrophobicContact CD1-CG2 4.41Å; L152-I165 HydrophobicContact CD2-CG2 4.35Å; L152-L166 HydrophobicContact CD1-CD2 3.83Å; L152-W169 HydrophobicContact CD1-CB 4.3Å; L152-W169 HydrophobicContact CD2-CE3 4.25Å; L152-W169 HydrophobicContact CG-CE3 4.17Å; L152-L218 HydrophobicContact CD1-CD1 4.21Å; L152-L218 HydrophobicContact CD1-CD2 4.25Å; L152-L218 HydrophobicContact CG-CD1 4.08Å; L152-P219 PolarHBondContact N-O 2.91Å; L152-I220 HydrophobicContact CB-CG1 4.37Å; L152-I220 WeakPolarHBondContact O-CA 3.37Å; L152-L221 PolarHBondContact O-N 2.77Å
153	Y	98.1	Very high	94.4	Very high	71 Å²	71	60 Å²	60	28%	0.278	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.4	168.6	-61.8	-97.6	0	0	0	106.8	Y142 M196 L221	Y142-Y153 VanDerWaalsContact CE1-OH 3.27Å; Y142-Y153 WeakPolarHBondContact CE1-OH 3.44Å; Y142-Y153 PolarHBondContact OH-OH 2.96Å; Y153-M196 HydrophobicContact CE1-CB 3.87Å; Y153-M196 HydrophobicContact CE1-CG 3.96Å; Y153-M196 WeakPolarHBondContact OH-CG 3.16Å; Y153-L221 WeakPolarHBondContact CA-O 3.48Å; Y153-L221 HydrophobicContact CD1-CB 4.08Å; Y153-L221 HydrophobicContact CD1-CD2 3.9Å; Y153-L221 HydrophobicContact CE1-CB 4.4Å; Y153-L221 HydrophobicContact CE1-CD2 4.44Å
154	I	98.7	Very high	95	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.4	178	-60.1	165.2	0	0	0	106.3	D158 I162 I165 I220 L221 L222 D223 L253 F257	I154-D158 HydrophobicContact CG2-CB 3.98Å; I154-I162 HydrophobicContact CD1-CG2 4.01Å; I154-I162 HydrophobicContact CG2-CD1 4.43Å; I154-I162 HydrophobicContact CG2-CG1 4.04Å; I154-I165 HydrophobicContact CG1-CD1 4.45Å; I154-I165 HydrophobicContact CG1-CG2 3.91Å; I154-I165 HydrophobicContact CG2-CD1 4.44Å; I154-I220 HydrophobicContact CD1-CG2 3.93Å; I154-L221 PolarHBondContact N-O 3.44Å; I154-L222 HydrophobicContact CB-CD2 3.81Å; I154-L222 HydrophobicContact CD1-CD2 4.07Å; I154-L222 HydrophobicContact CG1-CD2 4.46Å; I154-L222 HydrophobicContact CG2-CD2 4.28Å; I154-L222 CarbonylContact O-C 3.49Å; I154-L222 VanDerWaalsContact O-CA 3.28Å; I154-L222 WeakPolarHBondContact O-CA 3.48Å; I154-D223 PolarHBondContact O-N 3.16Å; I154-L253 HydrophobicContact CG2-CD1 3.96Å; I154-F257 HydrophobicContact CD1-CD2 4.01Å; I154-F257 HydrophobicContact CD1-CE2 4.23Å
155	T	98.5	Very high	95.6	Very high	25 Å²	25	59.6 Å²	59.6	15%	0.153	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	164.7	-179.6	75.5	0	0	0	0	111.2	H157 D158 D223 I240	T155-H157 PolarHBondContact O-N 3.08Å; T155-H157 VanDerWaalsContact O-N 3.11Å; T155-H157 WeakPolarHBondContact OG1-CB 3.46Å; T155-H157 PolarHBondContact OG1-N 2.64Å; T155-H157 VanDerWaalsContact OG1-N 3.17Å; T155-D158 WeakPolarHBondContact CA-OD2 3.4Å; T155-D158 WeakPolarHBondContact CB-OD2 3.47Å; T155-D158 WeakPolarHBondContact CG2-OD2 3.23Å; T155-D158 PolarHBondContact N-OD2 3.42Å; T155-D158 WeakPolarHBondContact O-CB 3.46Å; T155-D158 PolarHBondContact O-N 3.05Å; T155-D158 PolarHBondContact OG1-N 3.26Å; T155-D158 PolarHBondContact OG1-OD2 3.02Å; T155-D223 CarbonylContact C-O 3.6Å; T155-D223 WeakPolarHBondContact CA-O 3.33Å; T155-D223 HydrophobicContact CG2-CB 4.21Å; T155-I240 HydrophobicContact CG2-CG2 3.73Å
156	V	98	Very high	96.2	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.5	-21.6	168.8	70.1	0	0	0	0	113.6	D158 R159 D223 V224 I240 I245 R249 L253	V156-D158 VanDerWaalsContact C-N 3.3Å; V156-R159 WeakPolarHBondContact O-CD 3.38Å; V156-R159 WeakPolarHBondContact O-CG 3.46Å; V156-R159 PolarHBondContact O-NH1 2.8Å; V156-R159 VanDerWaalsContact O-NH1 3.12Å; V156-D223 PolarHBondContact N-O 2.75Å; V156-V224 HydrophobicContact CB-CG1 4.45Å; V156-I240 HydrophobicContact CG1-CD1 3.99Å; V156-I245 HydrophobicContact CG1-CG1 4.13Å; V156-I245 HydrophobicContact CG2-CB 4.38Å; V156-I245 HydrophobicContact CG2-CG1 4.38Å; V156-I245 HydrophobicContact CG2-CG2 4.26Å; V156-R249 HydrophobicContact CG2-CB 4.06Å; V156-L253 HydrophobicContact CB-CD2 4.44Å
157	H	97.8	Very high	96.5	Very high	109 Å²	109	59.4 Å²	59.4	51%	0.505	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-77.9	-18.3	175	-56.1	-52.5	0	0	0	112.7	T155 H242	T155-H157 PolarHBondContact O-N 3.08Å; T155-H157 VanDerWaalsContact O-N 3.11Å; T155-H157 WeakPolarHBondContact OG1-CB 3.46Å; T155-H157 PolarHBondContact OG1-N 2.64Å; T155-H157 VanDerWaalsContact OG1-N 3.17Å; H157-H242 AromaticContact NE2-NE2 3.57Å
158	D	98.4	Very high	97.1	Very high	46 Å²	46	57 Å²	57	25%	0.246	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-92.6	1.5	-179.9	-58.3	-53.4	0	0	0	113.3	I154 T155 V156 H160 H161 I162 I165	I154-D158 HydrophobicContact CG2-CB 3.98Å; T155-D158 WeakPolarHBondContact CA-OD2 3.4Å; T155-D158 WeakPolarHBondContact CB-OD2 3.47Å; T155-D158 WeakPolarHBondContact CG2-OD2 3.23Å; T155-D158 PolarHBondContact N-OD2 3.42Å; T155-D158 WeakPolarHBondContact O-CB 3.46Å; T155-D158 PolarHBondContact O-N 3.05Å; T155-D158 PolarHBondContact OG1-N 3.26Å; T155-D158 PolarHBondContact OG1-OD2 3.02Å; V156-D158 VanDerWaalsContact C-N 3.3Å; D158-H160 PolarHBondContact O-N 3.05Å; D158-H161 CarbonylContact O-C 3.5Å; D158-H161 PolarHBondContact O-N 2.96Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 2.9Å; D158-I165 HydrophobicContact CB-CD1 3.41Å; D158-I165 VanDerWaalsContact CB-CD1 3.41Å
159	R	98	Very high	97.4	Very high	49 Å²	49	53.5 Å²	53.5	19%	0.185	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-16	-170.7	71.1	-170.9	-175.3	-68.3	-13.2	115.7	V156 E252 L253 N256	V156-R159 WeakPolarHBondContact O-CD 3.38Å; V156-R159 WeakPolarHBondContact O-CG 3.46Å; V156-R159 PolarHBondContact O-NH1 2.8Å; V156-R159 VanDerWaalsContact O-NH1 3.12Å; R159-E252 VanDerWaalsContact CD-OE2 3.28Å; R159-E252 WeakPolarHBondContact CD-OE2 3.45Å; R159-E252 IonicContact CZ-OE2 3.71Å; R159-E252 IonicContact NE-OE2 3.72Å; R159-E252 PolarHBondContact NE-OE2 3.19Å; R159-E252 IonicContact NH2-OE2 2.64Å; R159-L253 HydrophobicContact CB-CB 3.96Å; R159-L253 HydrophobicContact CB-CD1 3.79Å; R159-N256 WeakPolarHBondContact O-CB 3.32Å; R159-N256 PolarHBondContact O-ND2 2.85Å
160	H	98.4	Very high	97.5	Very high	97 Å²	97	53.8 Å²	53.8	45%	0.449	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	3	175.5	-53.4	-60.7	0	0	0	114.2	D158 E252	D158-H160 PolarHBondContact O-N 3.05Å; H160-E252 VanDerWaalsContact CE1-CD 3.41Å; H160-E252 IonicContact CE1-OE1 4Å; H160-E252 PolarHBondContact CE1-OE1 2.73Å; H160-E252 IonicContact CE1-OE2 3.42Å; H160-E252 PolarHBondContact CE1-OE2 2.82Å; H160-E252 VanDerWaalsContact CE1-OE2 3.3Å; H160-E252 IonicContact NE2-OE2 3.32Å
161	H	98.4	Very high	97.6	Very high	107 Å²	107	53 Å²	53	50%	0.495	27%	0.267	S	S	.	.			trans	-130.7	22	-175.7	-62.2	-60.1	0	0	0	112.6	D158 E164 I165	D158-H161 CarbonylContact O-C 3.5Å; D158-H161 PolarHBondContact O-N 2.96Å; H161-E164 WeakPolarHBondContact CA-OE2 3.5Å; H161-E164 PolarHBondContact O-N 3.2Å; H161-E164 VanDerWaalsContact O-OE2 3.12Å; H161-I165 PolarHBondContact O-N 3.21Å
162	I	98.6	Very high	97.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-42.6	-178.5	-55.5	176.6	0	0	0	111.9	I154 D158 E164 I165 L166 L253 N256 F257 A260	I154-I162 HydrophobicContact CD1-CG2 4.01Å; I154-I162 HydrophobicContact CG2-CD1 4.43Å; I154-I162 HydrophobicContact CG2-CG1 4.04Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 2.9Å; I162-E164 VanDerWaalsContact C-N 3.29Å; I162-E164 PolarHBondContact O-N 3.2Å; I162-I165 PolarHBondContact O-N 3.4Å; I162-I165 VanDerWaalsContact O-N 3.07Å; I162-L166 HydrophobicContact CG2-CD1 4.15Å; I162-L166 HydrophobicContact CG2-CG 4.06Å; I162-L166 WeakPolarHBondContact O-CG 3.29Å; I162-L166 PolarHBondContact O-N 2.89Å; I162-L253 HydrophobicContact CD1-CD1 4.03Å; I162-N256 HydrophobicContact CD1-CB 3.78Å; I162-F257 HydrophobicContact CD1-CB 3.92Å; I162-F257 VanDerWaalsContact CD1-N 3.34Å; I162-F257 HydrophobicContact CG2-CD2 4.45Å; I162-A260 HydrophobicContact CB-CB 4.1Å; I162-A260 HydrophobicContact CG2-CB 3.72Å
163	P	98.4	Very high	97.3	Very high	56 Å²	56	60.5 Å²	60.5	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-56.2	-41	176.6	-26.9	36.6	0	0	0	113.4	I165 L166 N167 A260	P163-I165 VanDerWaalsContact C-N 3.33Å; P163-I165 PolarHBondContact O-N 2.88Å; P163-L166 PolarHBondContact O-N 2.91Å; P163-N167 VanDerWaalsContact O-CG 3.24Å; P163-N167 PolarHBondContact O-N 3.39Å; P163-N167 VanDerWaalsContact O-N 3.08Å; P163-N167 PolarHBondContact O-ND2 3.43Å; P163-N167 VanDerWaalsContact O-ND2 3.08Å; P163-A260 HydrophobicContact CG-CB 4.09Å
164	E	98.4	Very high	97.3	Very high	105 Å²	105	57.2 Å²	57.2	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-38.7	176.4	-65.6	84.1	168.9	0	0	111.7	H161 I162 N167 N168	H161-E164 WeakPolarHBondContact CA-OE2 3.5Å; H161-E164 PolarHBondContact O-N 3.2Å; H161-E164 VanDerWaalsContact O-OE2 3.12Å; I162-E164 VanDerWaalsContact C-N 3.29Å; I162-E164 PolarHBondContact O-N 3.2Å; E164-N167 PolarHBondContact O-N 2.66Å; E164-N168 PolarHBondContact O-ND2 3.24Å
165	I	98.4	Very high	97.3	Very high	26 Å²	26	60.2 Å²	60.2	13%	0.133	31%	0.309	C	S	.	.	H	α-helix	trans	-69.2	-44.8	176.7	-64.1	172	0	0	0	111.3	L152 I154 D158 H161 I162 P163 N167 N168	L152-I165 HydrophobicContact CD1-CG2 4.41Å; L152-I165 HydrophobicContact CD2-CG2 4.35Å; I154-I165 HydrophobicContact CG1-CD1 4.45Å; I154-I165 HydrophobicContact CG1-CG2 3.91Å; I154-I165 HydrophobicContact CG2-CD1 4.44Å; D158-I165 HydrophobicContact CB-CD1 3.41Å; D158-I165 VanDerWaalsContact CB-CD1 3.41Å; H161-I165 PolarHBondContact O-N 3.21Å; I162-I165 PolarHBondContact O-N 3.4Å; I162-I165 VanDerWaalsContact O-N 3.07Å; P163-I165 VanDerWaalsContact C-N 3.33Å; P163-I165 PolarHBondContact O-N 2.88Å; I165-N167 PolarHBondContact O-N 2.91Å; I165-N168 VanDerWaalsContact O-CB 3.31Å; I165-N168 WeakPolarHBondContact O-CB 3.34Å; I165-N168 PolarHBondContact O-N 3.01Å
166	L	98.4	Very high	97.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-31.8	177.1	-67.3	-178	0	0	0	111.9	L152 I162 P163 N168 W169 I220 A260 V261 R264 Y265	L152-L166 HydrophobicContact CD1-CD2 3.83Å; I162-L166 HydrophobicContact CG2-CD1 4.15Å; I162-L166 HydrophobicContact CG2-CG 4.06Å; I162-L166 WeakPolarHBondContact O-CG 3.29Å; I162-L166 PolarHBondContact O-N 2.89Å; P163-L166 PolarHBondContact O-N 2.91Å; L166-N168 PolarHBondContact O-N 3.26Å; L166-W169 WeakPolarHBondContact O-CB 3.49Å; L166-W169 PolarHBondContact O-N 3.28Å; L166-I220 HydrophobicContact CD2-CD1 4.22Å; L166-A260 HydrophobicContact CD1-CB 3.81Å; L166-V261 HydrophobicContact CD1-CG2 4.15Å; L166-R264 HydrophobicContact CB-CG 4.32Å; L166-R264 HydrophobicContact CD1-CB 4.2Å; L166-Y265 HydrophobicContact CD1-CE2 4.45Å; L166-Y265 HydrophobicContact CD2-CE2 4.27Å; L166-Y265 PolarHBondContact O-OH 2.84Å
167	N	97.1	Very high	97.3	Very high	100 Å²	100	59 Å²	59	54%	0.535	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.3	175.5	-74.2	-32.1	0	0	0	114.3	P163 E164 I165 W169 R264	P163-N167 VanDerWaalsContact O-CG 3.24Å; P163-N167 PolarHBondContact O-N 3.39Å; P163-N167 VanDerWaalsContact O-N 3.08Å; P163-N167 PolarHBondContact O-ND2 3.43Å; P163-N167 VanDerWaalsContact O-ND2 3.08Å; E164-N167 PolarHBondContact O-N 2.66Å; I165-N167 PolarHBondContact O-N 2.91Å; N167-W169 VanDerWaalsContact C-N 3.28Å; N167-R264 PolarHBondContact OD1-NE 3.38Å
168	N	97.4	Very high	97.4	Very high	124 Å²	124	53.8 Å²	53.8	66%	0.663	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.2	172.6	-63.9	-41.6	0	0	0	112.9	E164 I165 L166	E164-N168 PolarHBondContact O-ND2 3.24Å; I165-N168 VanDerWaalsContact O-CB 3.31Å; I165-N168 WeakPolarHBondContact O-CB 3.34Å; I165-N168 PolarHBondContact O-N 3.01Å; L166-N168 PolarHBondContact O-N 3.26Å
169	W	96.8	Very high	97.4	Very high	45 Å²	45	51.6 Å²	51.6	17%	0.17	27%	0.266	C	S	.	.	S	Bend	trans	-72.8	129.1	175.7	-166.5	-113.8	0	0	0	110.8	L152 L166 N167 E171 L218	L152-W169 HydrophobicContact CD1-CB 4.3Å; L152-W169 HydrophobicContact CD2-CE3 4.25Å; L152-W169 HydrophobicContact CG-CE3 4.17Å; L166-W169 WeakPolarHBondContact O-CB 3.49Å; L166-W169 PolarHBondContact O-N 3.28Å; N167-W169 VanDerWaalsContact C-N 3.28Å; W169-E171 VanDerWaalsContact C-N 3.29Å; W169-E171 PolarHBondContact O-N 3.44Å; W169-L218 HydrophobicContact CD2-CD1 3.56Å; W169-L218 HydrophobicContact CE3-CD1 3.75Å; W169-L218 HydrophobicContact CG-CD1 4.08Å; W169-L218 HydrophobicContact CG-CD2 4.22Å; W169-L218 HydrophobicContact CH2-CD1 4.08Å; W169-L218 HydrophobicContact CZ2-CD1 3.9Å; W169-L218 HydrophobicContact CZ3-CD1 4.02Å
170	P	92.3	Very high	97.4	Very high	96 Å²	96	49.3 Å²	49.3	62%	0.623	26%	0.257	S	S	*	.	S	Bend	trans	-71.6	-22.4	-171.7	27.7	-35.9	0	0	0	113.8
171	E	93.9	Very high	97.4	Very high	31 Å²	31	44.7 Å²	44.7	15%	0.145	24%	0.236	C	C	.	.			trans	-88.2	120.1	-175.9	-59.3	-61.1	156.2	0	0	110.5	R52 W169 I173 K215	R52-E171 IonicContact CZ-OE1 3.22Å; R52-E171 IonicContact NH1-OE1 3.03Å; R52-E171 PolarHBondContact NH1-OE1 2.98Å; W169-E171 VanDerWaalsContact C-N 3.29Å; W169-E171 PolarHBondContact O-N 3.44Å; E171-I173 VanDerWaalsContact C-N 3.27Å; E171-I173 PolarHBondContact O-N 3.12Å; E171-K215 WeakPolarHBondContact CB-O 3.13Å; E171-K215 HydrophobicContact CG-CB 4.31Å; E171-K215 WeakPolarHBondContact CG-O 3.32Å
172	P	93.2	Very high	97.3	Very high	80 Å²	80	39.6 Å²	39.6	52%	0.519	21%	0.212	S	C	.	.	S	Bend	trans	-72.6	-23.5	-175.8	28.1	-34.3	0	0	0	113.1	R264	P172-R264 PolarHBondContact O-NH1 2.85Å
173	I	95.3	Very high	97.3	Very high	101 Å²	101	41 Å²	41	52%	0.518	22%	0.219	S	C	.	.			trans	-120.6	107	-175.8	-58.1	172.3	0	0	0	108.1	E171 K175 H216	E171-I173 VanDerWaalsContact C-N 3.27Å; E171-I173 PolarHBondContact O-N 3.12Å; I173-K175 HydrophobicContact CG2-CG 4.36Å; I173-H216 PolarHBondContact O-CD2 3.01Å
174	V	98.2	Very high	97.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	22%	0.215	C	C	.	.			trans	-108.4	138.7	169.7	174.4	0	0	0	0	107.6	I177 L218 Y265	V174-I177 HydrophobicContact CG1-CD1 4.17Å; V174-I177 HydrophobicContact CG1-CG1 3.71Å; V174-L218 HydrophobicContact CB-CB 4.49Å; V174-L218 HydrophobicContact CG1-CB 3.61Å; V174-L218 HydrophobicContact CG1-CD2 4.36Å; V174-L218 HydrophobicContact CG2-CB 4.01Å; V174-L218 HydrophobicContact CG2-CD2 4.09Å; V174-Y265 HydrophobicContact CB-CD1 3.66Å; V174-Y265 HydrophobicContact CB-CD2 4.1Å; V174-Y265 HydrophobicContact CB-CE1 3.83Å; V174-Y265 HydrophobicContact CB-CE2 4.25Å; V174-Y265 HydrophobicContact CB-CG 3.8Å; V174-Y265 HydrophobicContact CG1-CD2 4.5Å; V174-Y265 HydrophobicContact CG2-CD1 3.92Å; V174-Y265 HydrophobicContact CG2-CE1 3.53Å; V174-Y265 HydrophobicContact CG2-CE2 4.26Å; V174-Y265 HydrophobicContact CG2-CG 4.43Å
175	K	98.4	Very high	96.8	Very high	62 Å²	62	36.8 Å²	36.8	27%	0.27	19%	0.191	S	C	.	.			trans	-119.4	-27.4	178.6	-59.7	-173.9	173.2	-168.2	0	112.9	I173 H216 L270 T501	I173-K175 HydrophobicContact CG2-CG 4.36Å; K175-H216 HydrophobicContact CB-CB 3.97Å; K175-H216 HydrophobicContact CD-CB 4.25Å; K175-H216 HydrophobicContact CG-CB 3.94Å; K175-H216 PolarHBondContact N-O 3.23Å; K175-L270 WeakPolarHBondContact O-CB 3.4Å; K175-L270 PolarHBondContact O-N 3.29Å; K175-T501 HydrophobicContact CB-CG2 3.93Å; K175-T501 WeakPolarHBondContact O-CG2 3.36Å
176	A	98.7	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.8	178.8	0	0	0	0	0	110.1	L203 Y206 H216 C217 L218 L270 T501	A176-L203 HydrophobicContact CB-CD2 4.04Å; A176-Y206 HydrophobicContact CB-CD1 4.28Å; A176-Y206 HydrophobicContact CB-CE1 4.2Å; A176-H216 PolarHBondContact N-O 3.46Å; A176-C217 CarbonylContact O-C 3.34Å; A176-C217 WeakPolarHBondContact O-CA 3.35Å; A176-L218 PolarHBondContact O-N 3.04Å; A176-L270 CarbonylContact C-O 3.56Å; A176-T501 HydrophobicContact CB-CG2 4.14Å
177	I	98.9	Very high	95.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.4	169.5	-70.2	165.1	0	0	0	106.8	V174 F179 L218 I220 F257 V261 Y265 L270 V271 Q272	V174-I177 HydrophobicContact CG1-CD1 4.17Å; V174-I177 HydrophobicContact CG1-CG1 3.71Å; I177-F179 HydrophobicContact CG2-CB 4.19Å; I177-L218 VanDerWaalsContact CA-O 3.32Å; I177-L218 WeakPolarHBondContact CA-O 3.48Å; I177-L218 HydrophobicContact CD1-CD2 4.37Å; I177-L218 HydrophobicContact CG1-CB 3.96Å; I177-L218 HydrophobicContact CG1-CD2 4.33Å; I177-L218 HydrophobicContact CG1-CG 4.21Å; I177-I220 HydrophobicContact CD1-CD1 4.19Å; I177-I220 HydrophobicContact CG1-CD1 4.42Å; I177-I220 HydrophobicContact CG2-CB 4.42Å; I177-I220 HydrophobicContact CG2-CD1 3.87Å; I177-I220 HydrophobicContact CG2-CG1 4.07Å; I177-F257 HydrophobicContact CG2-CZ 4.37Å; I177-V261 HydrophobicContact CD1-CB 4.42Å; I177-V261 HydrophobicContact CD1-CG1 3.59Å; I177-V261 HydrophobicContact CD1-CG2 3.88Å; I177-Y265 HydrophobicContact CD1-CD2 4.07Å; I177-Y265 HydrophobicContact CD1-CE2 4.29Å; I177-L270 PolarHBondContact N-O 3.11Å; I177-V271 HydrophobicContact CG2-CG1 4.29Å; I177-Q272 PolarHBondContact O-N 2.7Å
178	V	98.9	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.5	161	178.6	0	0	0	0	105.7	P199 K202 L203 Y206 I220 Q272 E274	V178-P199 HydrophobicContact CB-CB 4.35Å; V178-P199 HydrophobicContact CG1-CB 4.23Å; V178-P199 HydrophobicContact CG1-CG 4.44Å; V178-P199 WeakPolarHBondContact O-CB 3.36Å; V178-K202 HydrophobicContact CB-CB 4.41Å; V178-K202 HydrophobicContact CG1-CB 4.04Å; V178-K202 HydrophobicContact CG1-CG 4.29Å; V178-K202 HydrophobicContact CG2-CB 4Å; V178-L203 HydrophobicContact CB-CD1 4.16Å; V178-L203 HydrophobicContact CB-CD2 4.44Å; V178-L203 HydrophobicContact CB-CG 3.97Å; V178-L203 HydrophobicContact CG2-CD1 4.28Å; V178-L203 HydrophobicContact CG2-CD2 3.68Å; V178-L203 HydrophobicContact CG2-CG 3.62Å; V178-Y206 HydrophobicContact CG2-CE2 4.12Å; V178-I220 PolarHBondContact O-N 3.26Å; V178-Q272 HydrophobicContact CG2-CB 4.08Å; V178-Q272 HydrophobicContact CG2-CG 4.37Å; V178-E274 HydrophobicContact CG1-CB 3.79Å; V178-E274 HydrophobicContact CG1-CG 4.17Å
179	F	98.7	Very high	94.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.7	179.5	81.5	-66.5	0	0	0	112.8	I177 I220 L222 F257 M258 V271 Q272 F273 E274 F276	I177-F179 HydrophobicContact CG2-CB 4.19Å; F179-I220 WeakPolarHBondContact CA-O 3.48Å; F179-I220 HydrophobicContact CB-CB 3.93Å; F179-I220 HydrophobicContact CB-CG2 4.42Å; F179-I220 WeakPolarHBondContact CB-O 3.4Å; F179-L222 HydrophobicContact CD2-CD1 3.66Å; F179-L222 HydrophobicContact CD2-CG 3.98Å; F179-L222 HydrophobicContact CE2-CD1 3.71Å; F179-F257 HydrophobicContact CB-CZ 4.34Å; F179-F257 HydrophobicContact CD1-CE1 4.14Å; F179-F257 HydrophobicContact CD1-CZ 4.47Å; F179-F257 HydrophobicContact CD2-CD1 4.3Å; F179-F257 AromaticContact CD2-CE1 3.6Å; F179-F257 HydrophobicContact CD2-CE1 3.6Å; F179-F257 HydrophobicContact CD2-CZ 4.06Å; F179-F257 HydrophobicContact CE1-CE1 4.15Å; F179-F257 AromaticContact CE2-CD1 3.97Å; F179-F257 HydrophobicContact CE2-CD1 3.97Å; F179-F257 AromaticContact CE2-CE1 3.55Å; F179-F257 HydrophobicContact CE2-CE1 3.55Å; F179-F257 HydrophobicContact CE2-CZ 4.44Å; F179-F257 AromaticContact CG-CE1 3.88Å; F179-F257 HydrophobicContact CG-CE1 3.88Å; F179-F257 HydrophobicContact CG-CZ 4.04Å; F179-F257 HydrophobicContact CZ-CD1 4.39Å; F179-F257 AromaticContact CZ-CE1 3.83Å; F179-F257 HydrophobicContact CZ-CE1 3.83Å; F179-M258 HydrophobicContact CZ-SD 4.37Å; F179-V271 HydrophobicContact CD1-CG1 3.64Å; F179-V271 HydrophobicContact CE1-CG1 3.47Å; F179-V271 VanDerWaalsContact CE1-CG1 3.47Å; F179-V271 HydrophobicContact CZ-CG1 4.3Å; F179-Q272 WeakPolarHBondContact CD1-O 3.19Å; F179-Q272 PolarHBondContact N-O 2.97Å; F179-F273 HydrophobicContact CE1-CB 4.31Å; F179-F273 AromaticContact CE1-CD1 3.84Å; F179-F273 HydrophobicContact CE1-CD1 3.84Å; F179-F273 AromaticContact CE1-CD2 3.77Å; F179-F273 HydrophobicContact CE1-CD2 3.77Å; F179-F273 HydrophobicContact CE1-CE1 4.07Å; F179-F273 AromaticContact CE1-CE2 4Å; F179-F273 HydrophobicContact CE1-CE2 4Å; F179-F273 AromaticContact CE1-CG 3.68Å; F179-F273 HydrophobicContact CE1-CG 3.68Å; F179-F273 HydrophobicContact CE1-CZ 4.14Å; F179-F273 HydrophobicContact CE2-CD1 4.28Å; F179-F273 HydrophobicContact CE2-CE1 4.17Å; F179-F273 AromaticContact CZ-CD1 3.43Å; F179-F273 HydrophobicContact CZ-CD1 3.43Å; F179-F273 VanDerWaalsContact CZ-CD1 3.43Å; F179-F273 HydrophobicContact CZ-CD2 4.03Å; F179-F273 AromaticContact CZ-CE1 3.33Å; F179-F273 HydrophobicContact CZ-CE1 3.33Å; F179-F273 AromaticContact CZ-CE2 3.93Å; F179-F273 HydrophobicContact CZ-CE2 3.93Å; F179-F273 AromaticContact CZ-CG 3.79Å; F179-F273 HydrophobicContact CZ-CG 3.79Å; F179-F273 AromaticContact CZ-CZ 3.58Å; F179-F273 HydrophobicContact CZ-CZ 3.58Å; F179-E274 PolarHBondContact O-N 3.4Å; F179-F276 HydrophobicContact CD2-CE2 4.37Å; F179-F276 AromaticContact CD2-CZ 3.83Å; F179-F276 HydrophobicContact CD2-CZ 3.83Å; F179-F276 HydrophobicContact CE2-CE1 4.4Å; F179-F276 HydrophobicContact CE2-CE2 4.17Å; F179-F276 AromaticContact CE2-CZ 3.46Å; F179-F276 HydrophobicContact CE2-CZ 3.46Å; F179-F276 VanDerWaalsContact CE2-CZ 3.46Å; F179-F276 HydrophobicContact CZ-CE2 4.29Å; F179-F276 AromaticContact CZ-CZ 3.91Å; F179-F276 HydrophobicContact CZ-CZ 3.91Å; F179-F276 WeakPolarHBondContact O-CE2 3.28Å
180	T	98.5	Very high	94.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.8	178.8	-172.6	0	0	0	0	109.4	G182 I185 P199 I220 L221 L222 E274	T180-G182 PolarHBondContact OG1-N 2.94Å; T180-I185 HydrophobicContact CG2-CD1 4.32Å; T180-P199 HydrophobicContact CG2-CG 3.67Å; T180-I220 PolarHBondContact N-O 2.86Å; T180-L221 HydrophobicContact CG2-CD1 4.12Å; T180-L221 WeakPolarHBondContact O-CA 3.31Å; T180-L222 PolarHBondContact O-N 2.94Å; T180-E274 WeakPolarHBondContact CA-O 3.45Å; T180-E274 WeakPolarHBondContact CB-O 3.4Å; T180-E274 PolarHBondContact OG1-O 2.87Å
181	D	98.1	Very high	95.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.			trans	-89.6	-7.2	164.9	71.8	5.4	0	0	0	112.6	E183 L222 V224 R244 Y250 F276	D181-E183 WeakPolarHBondContact OD1-CB 3.4Å; D181-E183 PolarHBondContact OD1-N 2.84Å; D181-L222 VanDerWaalsContact CA-O 3.31Å; D181-L222 WeakPolarHBondContact CA-O 3.33Å; D181-V224 HydrophobicContact CB-CG2 4.39Å; D181-R244 PolarHBondContact O-NH2 2.87Å; D181-R244 IonicContact OD1-NH2 3.26Å; D181-Y250 PolarHBondContact OD2-OH 3.22Å; D181-F276 HydrophobicContact CB-CD1 4.38Å; D181-F276 HydrophobicContact CB-CE1 3.97Å
182	G	97.5	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	80.4	11.7	178.4	0	0	0	0	0	115.4	T180 L191 G192	T180-G182 PolarHBondContact OG1-N 2.94Å; G182-L191 PolarHBondContact O-N 2.98Å; G182-G192 PolarHBondContact O-N 3.05Å; G182-G192 VanDerWaalsContact O-N 3.17Å
183	E	97.2	Very high	95.5	Very high	31 Å²	31	22.2 Å²	22.2	15%	0.145	12%	0.124	C	C	.	.	S	Bend	trans	-74.1	-34.3	-174.9	-175.9	169	-160.6	0	0	112.6	D181 G189 D190 R246	D181-E183 WeakPolarHBondContact OD1-CB 3.4Å; D181-E183 PolarHBondContact OD1-N 2.84Å; E183-G189 CarbonylContact O-C 3.6Å; E183-G189 VanDerWaalsContact O-C 3.3Å; E183-D190 WeakPolarHBondContact O-CA 3.46Å; E183-D190 PolarHBondContact O-N 3.11Å; E183-D190 VanDerWaalsContact O-N 3.16Å; E183-R246 IonicContact OE1-CZ 3.41Å; E183-R246 IonicContact OE1-NH1 3.76Å; E183-R246 PolarHBondContact OE1-NH1 2.94Å; E183-R246 IonicContact OE1-NH2 2.87Å; E183-R246 PolarHBondContact OE1-NH2 3.25Å; E183-R246 IonicContact OE2-NH1 3.9Å
184	R	94.1	Very high	95.5	Very high	73 Å²	73	17.5 Å²	17.5	28%	0.275	10%	0.1	S	C	.	.	S	Bend	trans	-133.8	58.6	-172.9	-165.2	-163.2	177.7	158.1	7.4	111.3	L186 D275 F276 N278 E333	R184-L186 PolarHBondContact O-N 2.92Å; R184-D275 PolarHBondContact N-O 2.96Å; R184-D275 VanDerWaalsContact N-O 3.09Å; R184-D275 VanDerWaalsContact O-CB 3.24Å; R184-D275 WeakPolarHBondContact O-CB 3.21Å; R184-D275 VanDerWaalsContact O-CG 3.22Å; R184-F276 WeakPolarHBondContact CB-O 3.33Å; R184-F276 WeakPolarHBondContact CD-O 3.41Å; R184-N278 PolarHBondContact NH1-OD1 3.05Å; R184-E333 IonicContact CZ-OE2 3.2Å; R184-E333 IonicContact NH1-OE2 2.95Å; R184-E333 PolarHBondContact NH1-OE2 3.37Å
185	I	93.4	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-67.1	108.6	-179.2	-60.2	-53.8	0	0	0	110.6	C139 T180 G187 L188 G189 L191 I198 D275	C139-I185 HydrophobicContact CB-CG2 4.36Å; T180-I185 HydrophobicContact CG2-CD1 4.32Å; I185-G187 PolarHBondContact O-N 2.75Å; I185-L188 WeakPolarHBondContact O-CA 3.33Å; I185-L188 WeakPolarHBondContact O-CB 3.21Å; I185-L188 PolarHBondContact O-N 2.64Å; I185-G189 PolarHBondContact N-O 2.86Å; I185-G189 PolarHBondContact O-N 3.1Å; I185-L191 HydrophobicContact CB-CB 4.32Å; I185-L191 HydrophobicContact CB-CD1 3.84Å; I185-L191 HydrophobicContact CB-CG 4.06Å; I185-L191 HydrophobicContact CG1-CB 3.96Å; I185-L191 HydrophobicContact CG1-CD1 4.29Å; I185-L191 HydrophobicContact CG1-CG 4.28Å; I185-L191 HydrophobicContact CG2-CD1 3.73Å; I185-L191 HydrophobicContact CG2-CG 4.5Å; I185-I198 HydrophobicContact CD1-CG1 4.06Å; I185-I198 HydrophobicContact CG2-CD1 4.09Å; I185-I198 HydrophobicContact CG2-CG1 3.71Å; I185-D275 VanDerWaalsContact CA-OD2 3.28Å; I185-D275 WeakPolarHBondContact CA-OD2 3.37Å; I185-D275 HydrophobicContact CD1-CB 3.74Å
186	L	86.2	Confident	95.4	Very high	35 Å²	35	14.4 Å²	14.4	18%	0.183	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	-134.3	-174.5	-54.3	174.1	0	0	0	111.3	V135 R184 L188 I198 D275	V135-L186 HydrophobicContact CG1-CD1 4.27Å; R184-L186 PolarHBondContact O-N 2.92Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L186-I198 HydrophobicContact CD1-CD1 4.07Å; L186-I198 HydrophobicContact CD2-CD1 4.1Å; L186-I198 HydrophobicContact CG-CD1 3.91Å; L186-D275 PolarHBondContact N-OD1 3.25Å; L186-D275 PolarHBondContact N-OD2 3.49Å
187	G	82.4	Confident	95.2	Very high	41 Å²	41	14.4 Å²	14.4	42%	0.423	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	12.3	168.9	0	0	0	0	0	114.5	I185	I185-G187 PolarHBondContact O-N 2.75Å
188	L	88.1	Confident	95.1	Very high	59 Å²	59	14.4 Å²	14.4	31%	0.309	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-16.4	-175	-56	173.3	0	0	0	112.5	G136 Q140 I185 L186 L191	G136-L188 WeakPolarHBondContact O-CD1 3.41Å; Q140-L188 HydrophobicContact CG-CD1 3.92Å; I185-L188 WeakPolarHBondContact O-CA 3.33Å; I185-L188 WeakPolarHBondContact O-CB 3.21Å; I185-L188 PolarHBondContact O-N 2.64Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L188-L191 HydrophobicContact CB-CD1 4.38Å; L188-L191 HydrophobicContact CD1-CD1 4.31Å
189	G	92.4	Very high	95	Very high	28 Å²	28	14.4 Å²	14.4	29%	0.289	9%	0.086	S	C	.	.	B	Isolated β-bridge	trans	83.8	-147.1	179.1	0	0	0	0	0	112.2	E183 I185 L191	E183-G189 CarbonylContact O-C 3.6Å; E183-G189 VanDerWaalsContact O-C 3.3Å; I185-G189 PolarHBondContact N-O 2.86Å; I185-G189 PolarHBondContact O-N 3.1Å; G189-L191 PolarHBondContact O-N 3.38Å
190	D	97	Very high	94.9	Very high	23 Å²	23	15 Å²	15	12%	0.123	9%	0.09	C	C	.	.			trans	-73.2	113.1	-173.2	-178	-12.5	0	0	0	111.7	E183 G192 T226 D227 N228 R244	E183-D190 WeakPolarHBondContact O-CA 3.46Å; E183-D190 PolarHBondContact O-N 3.11Å; E183-D190 VanDerWaalsContact O-N 3.16Å; D190-G192 PolarHBondContact OD1-N 3.06Å; D190-T226 WeakPolarHBondContact OD1-CB 3.35Å; D190-T226 PolarHBondContact OD1-OG1 3.13Å; D190-T226 PolarHBondContact OD2-OG1 2.97Å; D190-D227 PolarHBondContact OD2-N 2.95Å; D190-N228 WeakPolarHBondContact O-CB 3.2Å; D190-N228 PolarHBondContact O-ND2 3.33Å; D190-R244 IonicContact OD1-CZ 2.68Å; D190-R244 IonicContact OD1-NH1 3.81Å; D190-R244 PolarHBondContact OD1-NH1 3.29Å; D190-R244 IonicContact OD2-CZ 3.69Å; D190-R244 IonicContact OD2-NH1 2.67Å; D190-R244 PolarHBondContact OD2-NH1 3.26Å
191	L	97.2	Very high	94.8	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.042	9%	0.091	C	C	.	.			trans	-113.6	0.6	171.8	-59.6	-176.5	0	0	0	113.2	C139 Q140 G182 I185 L188 G189 A193 Y194 L231	C139-L191 HydrophobicContact CB-CD1 3.62Å; Q140-L191 HydrophobicContact CG-CD1 4.31Å; Q140-L191 HydrophobicContact CG-CD2 4.48Å; G182-L191 PolarHBondContact O-N 2.98Å; I185-L191 HydrophobicContact CB-CB 4.32Å; I185-L191 HydrophobicContact CB-CD1 3.84Å; I185-L191 HydrophobicContact CB-CG 4.06Å; I185-L191 HydrophobicContact CG1-CB 3.96Å; I185-L191 HydrophobicContact CG1-CD1 4.29Å; I185-L191 HydrophobicContact CG1-CG 4.28Å; I185-L191 HydrophobicContact CG2-CD1 3.73Å; I185-L191 HydrophobicContact CG2-CG 4.5Å; L188-L191 HydrophobicContact CB-CD1 4.38Å; L188-L191 HydrophobicContact CD1-CD1 4.31Å; G189-L191 PolarHBondContact O-N 3.38Å; L191-A193 PolarHBondContact O-N 3.35Å; L191-Y194 WeakPolarHBondContact O-CB 3.43Å; L191-Y194 PolarHBondContact O-N 2.79Å; L191-L231 HydrophobicContact CB-CD1 4.38Å; L191-L231 HydrophobicContact CD2-CD1 4.27Å; L191-L231 WeakPolarHBondContact O-CD1 3.43Å
192	G	97.7	Very high	94.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	45	-130.3	-175.2	0	0	0	0	0	112.2	G182 D190 Y194 G195	G182-G192 PolarHBondContact O-N 3.05Å; G182-G192 VanDerWaalsContact O-N 3.17Å; D190-G192 PolarHBondContact OD1-N 3.06Å; G192-Y194 PolarHBondContact O-N 3.35Å; G192-G195 PolarHBondContact O-N 2.91Å
193	A	97.6	Very high	94.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-57.8	-19.9	179.6	0	0	0	0	0	116.3	L191 G195 M196 L221 Y237 G239	L191-A193 PolarHBondContact O-N 3.35Å; A193-G195 PolarHBondContact O-N 3.37Å; A193-M196 PolarHBondContact O-N 3.25Å; A193-L221 HydrophobicContact CB-CD2 4.02Å; A193-L221 WeakPolarHBondContact O-CD1 3.31Å; A193-Y237 PolarHBondContact N-OH 3.2Å; A193-G239 VanDerWaalsContact CB-CA 3.4Å
194	Y	97.2	Very high	94.8	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.008	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-72.3	-12.4	175	-77	5.9	0	0	0	113	C139 Y142 G143 L191 G192 M196 L231 D234 V236 Y237	C139-Y194 WeakPolarHBondContact CB-O 3.2Å; C139-Y194 VanDerWaalsContact O-CB 3.29Å; C139-Y194 WeakPolarHBondContact O-CB 3.47Å; C139-Y194 WeakPolarHBondContact O-CD2 3.35Å; Y142-Y194 HydrophobicContact CD1-CD1 4.21Å; Y142-Y194 HydrophobicContact CG-CD1 4.37Å; G143-Y194 WeakPolarHBondContact CA-OH 3.24Å; G143-Y194 VanDerWaalsContact N-CE1 3.28Å; G143-Y194 PolarHBondContact N-OH 3.47Å; L191-Y194 WeakPolarHBondContact O-CB 3.43Å; L191-Y194 PolarHBondContact O-N 2.79Å; G192-Y194 PolarHBondContact O-N 3.35Å; Y194-M196 PolarHBondContact O-N 2.87Å; Y194-L231 HydrophobicContact CD2-CD1 4.48Å; Y194-L231 HydrophobicContact CD2-CD2 3.68Å; Y194-L231 HydrophobicContact CE2-CD2 3.61Å; Y194-D234 PolarHBondContact OH-OD2 3.48Å; Y194-V236 PolarHBondContact OH-O 3.34Å; Y194-Y237 AromaticContact CD1-CD2 3.85Å; Y194-Y237 HydrophobicContact CD1-CD2 3.85Å; Y194-Y237 AromaticContact CD1-CE2 3.88Å; Y194-Y237 HydrophobicContact CD1-CE2 3.88Å; Y194-Y237 HydrophobicContact CD2-CD2 4.4Å; Y194-Y237 AromaticContact CE1-CD2 3.58Å; Y194-Y237 HydrophobicContact CE1-CD2 3.58Å; Y194-Y237 HydrophobicContact CE1-CE2 4.1Å; Y194-Y237 HydrophobicContact CE2-CD2 4.13Å; Y194-Y237 HydrophobicContact CG-CD2 4.27Å; Y194-Y237 HydrophobicContact CG-CE2 4.14Å; Y194-Y237 AromaticContact CZ-CD2 3.71Å; Y194-Y237 WeakPolarHBondContact OH-CA 3.32Å
195	G	96.5	Very high	95	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-64.5	-11.4	173.5	0	0	0	0	0	115.3	G192 A193 G197 I198 P199	G192-G195 PolarHBondContact O-N 2.91Å; A193-G195 PolarHBondContact O-N 3.37Å; G195-G197 PolarHBondContact O-N 3.16Å; G195-I198 WeakPolarHBondContact O-CB 3.27Å; G195-I198 PolarHBondContact O-N 3.41Å; G195-P199 WeakPolarHBondContact O-CD 3.49Å
196	M	97.1	Very high	95.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-55.4	-25.5	-178	-177.3	56.3	166.3	0	0	114	Y142 Y153 A193 Y194 I198 P199 I200 P219 L221	Y142-M196 HydrophobicContact CE1-CB 4.38Å; Y142-M196 HydrophobicContact CE2-CB 4.32Å; Y153-M196 HydrophobicContact CE1-CB 3.87Å; Y153-M196 HydrophobicContact CE1-CG 3.96Å; Y153-M196 WeakPolarHBondContact OH-CG 3.16Å; A193-M196 PolarHBondContact O-N 3.25Å; Y194-M196 PolarHBondContact O-N 2.87Å; M196-I198 PolarHBondContact O-N 3.16Å; M196-P199 WeakPolarHBondContact O-CD 3.38Å; M196-P199 HydrophobicContact SD-CB 4.41Å; M196-I200 HydrophobicContact CE-CD1 4.23Å; M196-I200 HydrophobicContact CE-CG1 4.22Å; M196-I200 HydrophobicContact CG-CD1 3.78Å; M196-I200 HydrophobicContact CG-CG1 4.35Å; M196-I200 WeakPolarHBondContact O-CG1 3.41Å; M196-I200 PolarHBondContact O-N 2.94Å; M196-I200 HydrophobicContact SD-CD1 4.49Å; M196-I200 HydrophobicContact SD-CG1 4.48Å; M196-P219 HydrophobicContact CE-CB 3.78Å; M196-P219 HydrophobicContact SD-CB 4.36Å; M196-L221 HydrophobicContact CB-CB 4.39Å; M196-L221 HydrophobicContact CB-CD1 3.94Å; M196-L221 VanDerWaalsContact N-CD1 3.28Å; M196-L221 HydrophobicContact SD-CB 3.87Å
197	G	95	Very high	95.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.6	-27.7	174.7	0	0	0	0	0	113.6	V135 G195 G201	V135-G197 WeakPolarHBondContact CG2-O 3.17Å; G195-G197 PolarHBondContact O-N 3.16Å; G197-G201 PolarHBondContact O-N 3.42Å
198	I	96	Very high	96.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-73.2	-55.8	-178.3	-58.2	-58.9	0	0	0	112.1	V135 I185 L186 G195 M196 I200 G201 K202 E274 D275	V135-I198 HydrophobicContact CG1-CD1 3.79Å; V135-I198 HydrophobicContact CG2-CD1 4.18Å; I185-I198 HydrophobicContact CD1-CG1 4.06Å; I185-I198 HydrophobicContact CG2-CD1 4.09Å; I185-I198 HydrophobicContact CG2-CG1 3.71Å; L186-I198 HydrophobicContact CD1-CD1 4.07Å; L186-I198 HydrophobicContact CD2-CD1 4.1Å; L186-I198 HydrophobicContact CG-CD1 3.91Å; G195-I198 WeakPolarHBondContact O-CB 3.27Å; G195-I198 PolarHBondContact O-N 3.41Å; M196-I198 PolarHBondContact O-N 3.16Å; I198-I200 VanDerWaalsContact C-N 3.25Å; I198-I200 PolarHBondContact O-N 2.77Å; I198-G201 PolarHBondContact O-N 3.42Å; I198-G201 VanDerWaalsContact O-N 3.1Å; I198-K202 HydrophobicContact CG2-CG 4.38Å; I198-K202 WeakPolarHBondContact O-CG 3.44Å; I198-K202 PolarHBondContact O-N 2.81Å; I198-E274 HydrophobicContact CG2-CG 3.44Å; I198-E274 VanDerWaalsContact CG2-CG 3.44Å; I198-D275 WeakPolarHBondContact CG1-OD2 3.46Å
199	P	98	Very high	97.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-49.4	-43.5	170	-34.2	37.7	0	0	0	114.5	V178 T180 G195 M196 L203 P219	V178-P199 HydrophobicContact CB-CB 4.35Å; V178-P199 HydrophobicContact CG1-CB 4.23Å; V178-P199 HydrophobicContact CG1-CG 4.44Å; V178-P199 WeakPolarHBondContact O-CB 3.36Å; T180-P199 HydrophobicContact CG2-CG 3.67Å; G195-P199 WeakPolarHBondContact O-CD 3.49Å; M196-P199 WeakPolarHBondContact O-CD 3.38Å; M196-P199 HydrophobicContact SD-CB 4.41Å; P199-L203 WeakPolarHBondContact O-CB 3.35Å; P199-L203 PolarHBondContact O-N 3.23Å; P199-L203 VanDerWaalsContact O-N 3.08Å; P199-P219 HydrophobicContact CB-CB 3.66Å
200	I	96.7	Very high	97.3	Very high	14 Å²	14	3.2 Å²	3.2	7%	0.072	2%	0.019	C	C	.	.	H	α-helix	trans	-63.5	-47.1	178.3	-66.7	168.3	0	0	0	110.9	R150 M196 I198 S204 P219	R150-I200 HydrophobicContact CB-CD1 3.84Å; R150-I200 HydrophobicContact CB-CG1 4.11Å; M196-I200 HydrophobicContact CE-CD1 4.23Å; M196-I200 HydrophobicContact CE-CG1 4.22Å; M196-I200 HydrophobicContact CG-CD1 3.78Å; M196-I200 HydrophobicContact CG-CG1 4.35Å; M196-I200 WeakPolarHBondContact O-CG1 3.41Å; M196-I200 PolarHBondContact O-N 2.94Å; M196-I200 HydrophobicContact SD-CD1 4.49Å; M196-I200 HydrophobicContact SD-CG1 4.48Å; I198-I200 VanDerWaalsContact C-N 3.25Å; I198-I200 PolarHBondContact O-N 2.77Å; I200-S204 WeakPolarHBondContact O-CB 2.81Å; I200-S204 PolarHBondContact O-N 2.88Å; I200-S204 PolarHBondContact O-OG 2.95Å; I200-P219 HydrophobicContact CG1-CB 3.89Å; I200-P219 HydrophobicContact CG1-CG 3.98Å
201	G	95.8	Very high	97.4	Very high	3 Å²	3	2.1 Å²	2.1	3%	0.031	1%	0.013	C	C	.	.	H	α-helix	trans	-61.6	-50.1	179.5	0	0	0	0	0	111.9	G197 I198 L203 S204 L205	G197-G201 PolarHBondContact O-N 3.42Å; I198-G201 PolarHBondContact O-N 3.42Å; I198-G201 VanDerWaalsContact O-N 3.1Å; G201-L203 PolarHBondContact O-N 3.12Å; G201-S204 WeakPolarHBondContact O-CB 3.46Å; G201-S204 PolarHBondContact O-N 3.43Å; G201-L205 WeakPolarHBondContact O-CG 3.49Å; G201-L205 PolarHBondContact O-N 3.29Å; G201-L205 VanDerWaalsContact O-N 3.1Å
202	K	97.1	Very high	97.4	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-58.3	-49.1	178.6	-71.3	-78.5	-177.7	148.7	0	111.9	Y131 V178 I198 S204 L205 Y206 E274 D297 F493	Y131-K202 HydrophobicContact CE2-CD 4Å; Y131-K202 HydrophobicContact CE2-CG 4.35Å; Y131-K202 WeakPolarHBondContact OH-CE 3.48Å; Y131-K202 PolarHBondContact OH-NZ 3.19Å; V178-K202 HydrophobicContact CB-CB 4.41Å; V178-K202 HydrophobicContact CG1-CB 4.04Å; V178-K202 HydrophobicContact CG1-CG 4.29Å; V178-K202 HydrophobicContact CG2-CB 4Å; I198-K202 HydrophobicContact CG2-CG 4.38Å; I198-K202 WeakPolarHBondContact O-CG 3.44Å; I198-K202 PolarHBondContact O-N 2.81Å; K202-S204 VanDerWaalsContact C-N 3.28Å; K202-S204 PolarHBondContact O-N 3.39Å; K202-L205 CarbonylContact O-C 3.3Å; K202-L205 WeakPolarHBondContact O-CA 3.34Å; K202-L205 WeakPolarHBondContact O-CB 3.42Å; K202-L205 PolarHBondContact O-N 3.48Å; K202-Y206 WeakPolarHBondContact O-CD2 3.35Å; K202-Y206 PolarHBondContact O-N 2.91Å; K202-E274 WeakPolarHBondContact CE-OE1 3.49Å; K202-E274 VanDerWaalsContact CE-OE2 3.3Å; K202-E274 WeakPolarHBondContact CE-OE2 3.48Å; K202-E274 HydrophobicContact CG-CG 4.43Å; K202-E274 VanDerWaalsContact NZ-CD 3.25Å; K202-E274 IonicContact NZ-OE1 3.24Å; K202-E274 PolarHBondContact NZ-OE1 3.02Å; K202-E274 IonicContact NZ-OE2 2.64Å; K202-E274 PolarHBondContact NZ-OE2 3.19Å; K202-E274 VanDerWaalsContact NZ-OE2 3.11Å; K202-D297 IonicContact NZ-OD2 2.67Å; K202-D297 PolarHBondContact NZ-OD2 3.09Å; K202-F493 HydrophobicContact CD-CD1 4.25Å; K202-F493 HydrophobicContact CD-CE1 3.68Å; K202-F493 HydrophobicContact CD-CE2 4.17Å; K202-F493 HydrophobicContact CD-CZ 3.65Å
203	L	98.3	Very high	97.3	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.021	2%	0.024	C	C	.	.	H	α-helix	trans	-67.3	-29.4	-180	-75.1	170.7	0	0	0	113	A176 V178 P199 G201 L205 Y206 T207 C217 L218 P219	A176-L203 HydrophobicContact CB-CD2 4.04Å; V178-L203 HydrophobicContact CB-CD1 4.16Å; V178-L203 HydrophobicContact CB-CD2 4.44Å; V178-L203 HydrophobicContact CB-CG 3.97Å; V178-L203 HydrophobicContact CG2-CD1 4.28Å; V178-L203 HydrophobicContact CG2-CD2 3.68Å; V178-L203 HydrophobicContact CG2-CG 3.62Å; P199-L203 WeakPolarHBondContact O-CB 3.35Å; P199-L203 PolarHBondContact O-N 3.23Å; P199-L203 VanDerWaalsContact O-N 3.08Å; G201-L203 PolarHBondContact O-N 3.12Å; L203-L205 VanDerWaalsContact C-N 3.25Å; L203-L205 PolarHBondContact O-N 2.96Å; L203-Y206 HydrophobicContact CD2-CD2 4.17Å; L203-Y206 HydrophobicContact CD2-CG 4.23Å; L203-Y206 WeakPolarHBondContact O-CB 3.29Å; L203-Y206 PolarHBondContact O-N 3.29Å; L203-T207 PolarHBondContact O-N 2.62Å; L203-T207 PolarHBondContact O-OG1 2.68Å; L203-C217 HydrophobicContact CB-CB 4.02Å; L203-C217 HydrophobicContact CD1-CB 4.13Å; L203-C217 HydrophobicContact CD2-CB 3.82Å; L203-C217 HydrophobicContact CG-CB 4.2Å; L203-L218 WeakPolarHBondContact CD1-O 3.24Å; L203-P219 HydrophobicContact CD1-CB 4Å; L203-P219 HydrophobicContact CD1-CG 3.58Å
204	S	97.6	Very high	97.3	Very high	6 Å²	6	5.1 Å²	5.1	4%	0.042	3%	0.027	C	C	.	.	H	α-helix	trans	-64.3	-33.4	169.7	-58.9	0	0	0	0	111.7	I200 G201 K202 A208	I200-S204 WeakPolarHBondContact O-CB 2.81Å; I200-S204 PolarHBondContact O-N 2.88Å; I200-S204 PolarHBondContact O-OG 2.95Å; G201-S204 WeakPolarHBondContact O-CB 3.46Å; G201-S204 PolarHBondContact O-N 3.43Å; K202-S204 VanDerWaalsContact C-N 3.28Å; K202-S204 PolarHBondContact O-N 3.39Å; S204-A208 WeakPolarHBondContact O-CB 3.27Å; S204-A208 PolarHBondContact O-N 3.09Å
205	L	97.9	Very high	97.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-75.5	-34.3	173.7	-62.4	-176.2	0	0	0	113.1	M127 I130 Y131 G201 K202 L203 T207 A208 L209 F493	M127-L205 HydrophobicContact CG-CD2 4.03Å; I130-L205 HydrophobicContact CD1-CD2 4.04Å; I130-L205 HydrophobicContact CG1-CD2 4.41Å; Y131-L205 HydrophobicContact CD1-CD1 3.71Å; Y131-L205 HydrophobicContact CD2-CD1 4.05Å; Y131-L205 HydrophobicContact CE1-CD1 4.27Å; Y131-L205 HydrophobicContact CG-CD1 3.59Å; G201-L205 WeakPolarHBondContact O-CG 3.49Å; G201-L205 PolarHBondContact O-N 3.29Å; G201-L205 VanDerWaalsContact O-N 3.1Å; K202-L205 CarbonylContact O-C 3.3Å; K202-L205 WeakPolarHBondContact O-CA 3.34Å; K202-L205 WeakPolarHBondContact O-CB 3.42Å; K202-L205 PolarHBondContact O-N 3.48Å; L203-L205 VanDerWaalsContact C-N 3.25Å; L203-L205 PolarHBondContact O-N 2.96Å; L205-T207 PolarHBondContact O-N 3.43Å; L205-A208 PolarHBondContact O-N 3.2Å; L205-L209 HydrophobicContact CB-CD1 3.97Å; L205-L209 HydrophobicContact CB-CG 4.13Å; L205-L209 HydrophobicContact CD1-CD1 4.44Å; L205-L209 HydrophobicContact CD2-CD1 4.08Å; L205-L209 HydrophobicContact CD2-CD2 4.46Å; L205-L209 HydrophobicContact CD2-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 4.38Å; L205-L209 WeakPolarHBondContact O-CA 3.25Å; L205-L209 WeakPolarHBondContact O-CB 3.22Å; L205-L209 WeakPolarHBondContact O-CG 3.17Å; L205-L209 PolarHBondContact O-N 3.03Å; L205-F493 HydrophobicContact CB-CE2 3.96Å; L205-F493 HydrophobicContact CB-CZ 3.74Å; L205-F493 HydrophobicContact CD1-CZ 3.84Å; L205-F493 HydrophobicContact CG-CZ 4.43Å
206	Y	98.6	Very high	97.2	Very high	1 Å²	1	8.8 Å²	8.8	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-51.9	-45.3	168.4	-94.9	-106.5	0	0	0	111.1	A176 V178 K202 L203 A210 G211 V212 L270 Q272 F493	A176-Y206 HydrophobicContact CB-CD1 4.28Å; A176-Y206 HydrophobicContact CB-CE1 4.2Å; V178-Y206 HydrophobicContact CG2-CE2 4.12Å; K202-Y206 WeakPolarHBondContact O-CD2 3.35Å; K202-Y206 PolarHBondContact O-N 2.91Å; L203-Y206 HydrophobicContact CD2-CD2 4.17Å; L203-Y206 HydrophobicContact CD2-CG 4.23Å; L203-Y206 WeakPolarHBondContact O-CB 3.29Å; L203-Y206 PolarHBondContact O-N 3.29Å; Y206-A210 CarbonylContact O-C 3.46Å; Y206-A210 PolarHBondContact O-N 2.79Å; Y206-G211 PolarHBondContact O-N 2.94Å; Y206-G211 VanDerWaalsContact O-N 3.14Å; Y206-V212 HydrophobicContact CD1-CB 4.21Å; Y206-V212 HydrophobicContact CD1-CG1 4.48Å; Y206-V212 HydrophobicContact CD1-CG2 3.88Å; Y206-V212 PolarHBondContact O-N 2.84Å; Y206-V212 VanDerWaalsContact O-N 3.1Å; Y206-L270 HydrophobicContact CE1-CD2 3.88Å; Y206-L270 WeakPolarHBondContact OH-CD2 3.44Å; Y206-Q272 VanDerWaalsContact CE2-OE1 3.26Å; Y206-Q272 PolarHBondContact OH-OE1 3.19Å; Y206-F493 AromaticContact CD2-CD2 3.59Å; Y206-F493 HydrophobicContact CD2-CD2 3.59Å; Y206-F493 AromaticContact CD2-CE2 3.62Å; Y206-F493 HydrophobicContact CD2-CE2 3.62Å; Y206-F493 AromaticContact CE2-CD2 3.27Å; Y206-F493 HydrophobicContact CE2-CD2 3.27Å; Y206-F493 AromaticContact CE2-CE2 3.77Å; Y206-F493 HydrophobicContact CE2-CE2 3.77Å; Y206-F493 HydrophobicContact CE2-CG 4.32Å
207	T	98.3	Very high	97.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-73.5	-51.8	177.7	-58.1	0	0	0	0	112.8	Y116 L203 L205 G211 V212 P214 R542 Y580	Y116-T207 HydrophobicContact CD1-CG2 3.56Å; Y116-T207 HydrophobicContact CD2-CG2 3.92Å; Y116-T207 VanDerWaalsContact CE1-CB 3.42Å; Y116-T207 HydrophobicContact CE1-CG2 3.4Å; Y116-T207 VanDerWaalsContact CE1-CG2 3.4Å; Y116-T207 HydrophobicContact CE2-CG2 3.76Å; Y116-T207 HydrophobicContact CG-CG2 3.83Å; Y116-T207 VanDerWaalsContact CZ-CG2 3.5Å; L203-T207 PolarHBondContact O-N 2.62Å; L203-T207 PolarHBondContact O-OG1 2.68Å; L205-T207 PolarHBondContact O-N 3.43Å; T207-G211 WeakPolarHBondContact O-CA 3.31Å; T207-G211 PolarHBondContact O-N 3.05Å; T207-V212 WeakPolarHBondContact CA-O 3.2Å; T207-V212 VanDerWaalsContact CB-O 3.24Å; T207-V212 WeakPolarHBondContact CB-O 3.22Å; T207-V212 WeakPolarHBondContact CG2-O 3.41Å; T207-V212 PolarHBondContact OG1-O 3.03Å; T207-P214 HydrophobicContact CG2-CB 4.42Å; T207-P214 HydrophobicContact CG2-CG 4.31Å; T207-R542 PolarHBondContact O-NH1 3.07Å; T207-Y580 HydrophobicContact CG2-CD1 3.48Å; T207-Y580 VanDerWaalsContact CG2-CD1 3.48Å; T207-Y580 HydrophobicContact CG2-CE1 3.99Å; T207-Y580 HydrophobicContact CG2-CG 4.16Å
208	A	98.1	Very high	97.4	Very high	3 Å²	3	9.2 Å²	9.2	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-66.5	-44.4	-174.7	0	0	0	0	0	112.2	Y116 V119 I120 S204 L205 R542	Y116-A208 HydrophobicContact CD1-CB 4.36Å; V119-A208 HydrophobicContact CB-CB 4.41Å; V119-A208 HydrophobicContact CG1-CB 3.63Å; I120-A208 HydrophobicContact CG1-CB 4.26Å; I120-A208 WeakPolarHBondContact CG1-O 3.46Å; S204-A208 WeakPolarHBondContact O-CB 3.27Å; S204-A208 PolarHBondContact O-N 3.09Å; L205-A208 PolarHBondContact O-N 3.2Å; A208-R542 PolarHBondContact O-NH1 3.13Å
209	L	98.2	Very high	97.5	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-89.8	-33.6	-171.3	-49.1	-172.5	0	0	0	112.6	V123 M127 L205 P494 I541 R542 S545	V123-L209 HydrophobicContact CG2-CD2 3.69Å; M127-L209 HydrophobicContact SD-CD1 4.46Å; L205-L209 HydrophobicContact CB-CD1 3.97Å; L205-L209 HydrophobicContact CB-CG 4.13Å; L205-L209 HydrophobicContact CD1-CD1 4.44Å; L205-L209 HydrophobicContact CD2-CD1 4.08Å; L205-L209 HydrophobicContact CD2-CD2 4.46Å; L205-L209 HydrophobicContact CD2-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 4.38Å; L205-L209 WeakPolarHBondContact O-CA 3.25Å; L205-L209 WeakPolarHBondContact O-CB 3.22Å; L205-L209 WeakPolarHBondContact O-CG 3.17Å; L205-L209 PolarHBondContact O-N 3.03Å; L209-P494 HydrophobicContact CB-CB 3.94Å; L209-P494 HydrophobicContact CB-CG 3.95Å; L209-P494 HydrophobicContact CD1-CG 3.99Å; L209-P494 HydrophobicContact CG-CG 4.5Å; L209-I541 HydrophobicContact CB-CG2 4.46Å; L209-I541 HydrophobicContact CD1-CD1 3.84Å; L209-I541 HydrophobicContact CD1-CG1 4.45Å; L209-I541 HydrophobicContact CD2-CG2 3.66Å; L209-I541 HydrophobicContact CG-CG2 4.46Å; L209-R542 VanDerWaalsContact O-CA 3.23Å; L209-R542 WeakPolarHBondContact O-CA 3.09Å; L209-R542 WeakPolarHBondContact O-CG 3.47Å; L209-S545 WeakPolarHBondContact O-CB 3.45Å; L209-S545 PolarHBondContact O-OG 2.97Å
210	A	98.1	Very high	97.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-120.5	-2.5	-178.9	0	0	0	0	0	114.8	Y206 V212 P494 L498 M579	Y206-A210 CarbonylContact O-C 3.46Å; Y206-A210 PolarHBondContact O-N 2.79Å; A210-V212 VanDerWaalsContact C-N 3.32Å; A210-V212 PolarHBondContact O-N 2.93Å; A210-P494 HydrophobicContact CB-CB 3.44Å; A210-P494 VanDerWaalsContact CB-CB 3.44Å; A210-P494 WeakPolarHBondContact CB-O 3.39Å; A210-L498 HydrophobicContact CB-CB 4.01Å; A210-L498 HydrophobicContact CB-CD2 4.41Å; A210-L498 WeakPolarHBondContact O-CD1 3.24Å; A210-L498 VanDerWaalsContact O-CD2 3.3Å; A210-L498 WeakPolarHBondContact O-CD2 3.43Å; A210-M579 VanDerWaalsContact O-CE 3.25Å; A210-M579 WeakPolarHBondContact O-CE 3.23Å
211	G	97.7	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.			trans	72.3	22.5	177.9	0	0	0	0	0	114	Y206 T207 H213 M579 Y580	Y206-G211 PolarHBondContact O-N 2.94Å; Y206-G211 VanDerWaalsContact O-N 3.14Å; T207-G211 WeakPolarHBondContact O-CA 3.31Å; T207-G211 PolarHBondContact O-N 3.05Å; G211-H213 PolarHBondContact O-N 3.17Å; G211-M579 CarbonylContact O-C 3.45Å; G211-M579 WeakPolarHBondContact O-CA 3.2Å; G211-Y580 WeakPolarHBondContact O-CB 3.36Å; G211-Y580 PolarHBondContact O-N 3.33Å
212	V	98	Very high	97.8	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.03	5%	0.045	C	C	.	.			trans	-66.3	122.9	167.2	179.6	0	0	0	0	108.5	Y206 T207 A210 L498	Y206-V212 HydrophobicContact CD1-CB 4.21Å; Y206-V212 HydrophobicContact CD1-CG1 4.48Å; Y206-V212 HydrophobicContact CD1-CG2 3.88Å; Y206-V212 PolarHBondContact O-N 2.84Å; Y206-V212 VanDerWaalsContact O-N 3.1Å; T207-V212 WeakPolarHBondContact CA-O 3.2Å; T207-V212 VanDerWaalsContact CB-O 3.24Å; T207-V212 WeakPolarHBondContact CB-O 3.22Å; T207-V212 WeakPolarHBondContact CG2-O 3.41Å; T207-V212 PolarHBondContact OG1-O 3.03Å; A210-V212 VanDerWaalsContact C-N 3.32Å; A210-V212 PolarHBondContact O-N 2.93Å; V212-L498 HydrophobicContact CG2-CB 4.23Å; V212-L498 HydrophobicContact CG2-CD1 3.89Å
213	H	96.6	Very high	97.9	Very high	55 Å²	55	9.1 Å²	9.1	26%	0.255	5%	0.046	S	C	.	.			trans	-60	131.6	-172.9	-168.6	-60	0	0	0	111.6	G211 K215 H216 Y580	G211-H213 PolarHBondContact O-N 3.17Å; H213-K215 VanDerWaalsContact C-N 3.32Å; H213-K215 VanDerWaalsContact CE1-CD 3.47Å; H213-K215 WeakPolarHBondContact CE1-CD 3.28Å; H213-K215 WeakPolarHBondContact ND1-CG 3.37Å; H213-K215 PolarHBondContact ND1-N 3.04Å; H213-K215 VanDerWaalsContact ND1-N 3.16Å; H213-K215 PolarHBondContact O-N 3.02Å; H213-H216 WeakPolarHBondContact O-CB 3.47Å; H213-H216 PolarHBondContact O-N 2.95Å; H213-Y580 AromaticContact CD2-CD2 3.61Å; H213-Y580 AromaticContact NE2-CD2 3.86Å; H213-Y580 AromaticContact NE2-CE2 3.99Å
214	P	96.2	Very high	97.9	Very high	11 Å²	11	9 Å²	9	7%	0.071	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-59.5	-36.7	-173	21.4	-33.3	0	0	0	113.8	E112 Y116 T207 H216 C217 Y580	E112-P214 HydrophobicContact CG-CG 4.4Å; E112-P214 WeakPolarHBondContact OE2-CG 3.26Å; Y116-P214 HydrophobicContact CD2-CG 4.36Å; Y116-P214 HydrophobicContact CE2-CB 3.66Å; Y116-P214 HydrophobicContact CE2-CG 3.77Å; T207-P214 HydrophobicContact CG2-CB 4.42Å; T207-P214 HydrophobicContact CG2-CG 4.31Å; P214-H216 PolarHBondContact O-N 3.45Å; P214-H216 VanDerWaalsContact O-N 3.1Å; P214-C217 VanDerWaalsContact O-CB 3.32Å; P214-C217 WeakPolarHBondContact O-CB 3.32Å; P214-C217 PolarHBondContact O-N 3.42Å; P214-Y580 HydrophobicContact CG-CD2 4.49Å; P214-Y580 HydrophobicContact CG-CE1 4.48Å; P214-Y580 HydrophobicContact CG-CE2 4.18Å
215	K	94.3	Very high	97.9	Very high	51 Å²	51	8.7 Å²	8.7	22%	0.222	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-55.9	-23.2	172.1	88.4	-169.4	170.3	-178.6	0	115.3	D36 E171 H213	D36-K215 IonicContact OD2-NZ 2.63Å; D36-K215 PolarHBondContact OD2-NZ 2.75Å; E171-K215 WeakPolarHBondContact CB-O 3.13Å; E171-K215 HydrophobicContact CG-CB 4.31Å; E171-K215 WeakPolarHBondContact CG-O 3.32Å; H213-K215 VanDerWaalsContact C-N 3.32Å; H213-K215 VanDerWaalsContact CE1-CD 3.47Å; H213-K215 WeakPolarHBondContact CE1-CD 3.28Å; H213-K215 WeakPolarHBondContact ND1-CG 3.37Å; H213-K215 PolarHBondContact ND1-N 3.04Å; H213-K215 VanDerWaalsContact ND1-N 3.16Å; H213-K215 PolarHBondContact O-N 3.02Å
216	H	97.4	Very high	97.9	Very high	29 Å²	29	8.7 Å²	8.7	13%	0.134	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-93.2	1.1	178.5	-57.6	152.4	0	0	0	112.8	I173 K175 A176 H213 P214	I173-H216 PolarHBondContact O-CD2 3.01Å; K175-H216 HydrophobicContact CB-CB 3.97Å; K175-H216 HydrophobicContact CD-CB 4.25Å; K175-H216 HydrophobicContact CG-CB 3.94Å; K175-H216 PolarHBondContact N-O 3.23Å; A176-H216 PolarHBondContact N-O 3.46Å; H213-H216 WeakPolarHBondContact O-CB 3.47Å; H213-H216 PolarHBondContact O-N 2.95Å; P214-H216 PolarHBondContact O-N 3.45Å; P214-H216 VanDerWaalsContact O-N 3.1Å
217	C	98.3	Very high	97.9	Very high	10 Å²	10	11.6 Å²	11.6	7%	0.068	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.4	-177.7	-64.5	0	0	0	0	110.1	A176 L203 P214	A176-C217 CarbonylContact O-C 3.34Å; A176-C217 WeakPolarHBondContact O-CA 3.35Å; L203-C217 HydrophobicContact CB-CB 4.02Å; L203-C217 HydrophobicContact CD1-CB 4.13Å; L203-C217 HydrophobicContact CD2-CB 3.82Å; L203-C217 HydrophobicContact CG-CB 4.2Å; P214-C217 VanDerWaalsContact O-CB 3.32Å; P214-C217 WeakPolarHBondContact O-CB 3.32Å; P214-C217 PolarHBondContact O-N 3.42Å
218	L	98.6	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	106	178.1	169.3	52.4	0	0	0	110.9	L152 W169 V174 A176 I177 L203 I220 Y265	L152-L218 HydrophobicContact CD1-CD1 4.21Å; L152-L218 HydrophobicContact CD1-CD2 4.25Å; L152-L218 HydrophobicContact CG-CD1 4.08Å; W169-L218 HydrophobicContact CD2-CD1 3.56Å; W169-L218 HydrophobicContact CE3-CD1 3.75Å; W169-L218 HydrophobicContact CG-CD1 4.08Å; W169-L218 HydrophobicContact CG-CD2 4.22Å; W169-L218 HydrophobicContact CH2-CD1 4.08Å; W169-L218 HydrophobicContact CZ2-CD1 3.9Å; W169-L218 HydrophobicContact CZ3-CD1 4.02Å; V174-L218 HydrophobicContact CB-CB 4.49Å; V174-L218 HydrophobicContact CG1-CB 3.61Å; V174-L218 HydrophobicContact CG1-CD2 4.36Å; V174-L218 HydrophobicContact CG2-CB 4.01Å; V174-L218 HydrophobicContact CG2-CD2 4.09Å; A176-L218 PolarHBondContact O-N 3.04Å; I177-L218 VanDerWaalsContact CA-O 3.32Å; I177-L218 WeakPolarHBondContact CA-O 3.48Å; I177-L218 HydrophobicContact CD1-CD2 4.37Å; I177-L218 HydrophobicContact CG1-CB 3.96Å; I177-L218 HydrophobicContact CG1-CD2 4.33Å; I177-L218 HydrophobicContact CG1-CG 4.21Å; L203-L218 WeakPolarHBondContact CD1-O 3.24Å; L218-I220 HydrophobicContact CD1-CG1 4.07Å; L218-I220 HydrophobicContact CD2-CD1 3.91Å; L218-I220 HydrophobicContact CD2-CG1 4.3Å; L218-I220 HydrophobicContact CG-CD1 3.9Å; L218-I220 HydrophobicContact CG-CG1 3.76Å; L218-Y265 HydrophobicContact CD2-CE2 3.84Å
219	P	98.6	Very high	97.9	Very high	10 Å²	10	17.7 Å²	17.7	7%	0.065	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.2	171.4	-14.4	29.6	0	0	0	110.4	R150 G151 L152 M196 P199 I200 L203	R150-P219 VanDerWaalsContact O-CD 3.25Å; R150-P219 WeakPolarHBondContact O-CD 3.47Å; R150-P219 WeakPolarHBondContact O-CG 3.25Å; G151-P219 CarbonylContact C-O 3.57Å; G151-P219 WeakPolarHBondContact CA-O 3.35Å; L152-P219 PolarHBondContact N-O 2.91Å; M196-P219 HydrophobicContact CE-CB 3.78Å; M196-P219 HydrophobicContact SD-CB 4.36Å; P199-P219 HydrophobicContact CB-CB 3.66Å; I200-P219 HydrophobicContact CG1-CB 3.89Å; I200-P219 HydrophobicContact CG1-CG 3.98Å; L203-P219 HydrophobicContact CD1-CB 4Å; L203-P219 HydrophobicContact CD1-CG 3.58Å
220	I	98.8	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.9	177.6	-58.3	-175.3	0	0	0	110.2	L152 I154 L166 I177 V178 F179 T180 L218 L222 F257	L152-I220 HydrophobicContact CB-CG1 4.37Å; L152-I220 WeakPolarHBondContact O-CA 3.37Å; I154-I220 HydrophobicContact CD1-CG2 3.93Å; L166-I220 HydrophobicContact CD2-CD1 4.22Å; I177-I220 HydrophobicContact CD1-CD1 4.19Å; I177-I220 HydrophobicContact CG1-CD1 4.42Å; I177-I220 HydrophobicContact CG2-CB 4.42Å; I177-I220 HydrophobicContact CG2-CD1 3.87Å; I177-I220 HydrophobicContact CG2-CG1 4.07Å; V178-I220 PolarHBondContact O-N 3.26Å; F179-I220 WeakPolarHBondContact CA-O 3.48Å; F179-I220 HydrophobicContact CB-CB 3.93Å; F179-I220 HydrophobicContact CB-CG2 4.42Å; F179-I220 WeakPolarHBondContact CB-O 3.4Å; T180-I220 PolarHBondContact N-O 2.86Å; L218-I220 HydrophobicContact CD1-CG1 4.07Å; L218-I220 HydrophobicContact CD2-CD1 3.91Å; L218-I220 HydrophobicContact CD2-CG1 4.3Å; L218-I220 HydrophobicContact CG-CD1 3.9Å; L218-I220 HydrophobicContact CG-CG1 3.76Å; I220-L222 HydrophobicContact CG2-CD2 3.96Å; I220-F257 HydrophobicContact CD1-CE2 3.66Å; I220-F257 HydrophobicContact CD1-CZ 4.04Å; I220-F257 HydrophobicContact CG2-CE2 4.01Å; I220-F257 HydrophobicContact CG2-CZ 4.39Å
221	L	98.7	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.8	167.4	-177.1	136.3	0	0	0	110.3	L152 Y153 I154 T180 A193 M196 D223	L152-L221 PolarHBondContact O-N 2.77Å; Y153-L221 WeakPolarHBondContact CA-O 3.48Å; Y153-L221 HydrophobicContact CD1-CB 4.08Å; Y153-L221 HydrophobicContact CD1-CD2 3.9Å; Y153-L221 HydrophobicContact CE1-CB 4.4Å; Y153-L221 HydrophobicContact CE1-CD2 4.44Å; I154-L221 PolarHBondContact N-O 3.44Å; T180-L221 HydrophobicContact CG2-CD1 4.12Å; T180-L221 WeakPolarHBondContact O-CA 3.31Å; A193-L221 HydrophobicContact CB-CD2 4.02Å; A193-L221 WeakPolarHBondContact O-CD1 3.31Å; M196-L221 HydrophobicContact CB-CB 4.39Å; M196-L221 HydrophobicContact CB-CD1 3.94Å; M196-L221 VanDerWaalsContact N-CD1 3.28Å; M196-L221 HydrophobicContact SD-CB 3.87Å; L221-D223 HydrophobicContact CD2-CB 3.74Å
222	L	98.7	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	99.7	173.3	-58.4	-172.5	0	0	0	109.4	I154 F179 T180 D181 I220 V224 L253 I254 F257	I154-L222 HydrophobicContact CB-CD2 3.81Å; I154-L222 HydrophobicContact CD1-CD2 4.07Å; I154-L222 HydrophobicContact CG1-CD2 4.46Å; I154-L222 HydrophobicContact CG2-CD2 4.28Å; I154-L222 CarbonylContact O-C 3.49Å; I154-L222 VanDerWaalsContact O-CA 3.28Å; I154-L222 WeakPolarHBondContact O-CA 3.48Å; F179-L222 HydrophobicContact CD2-CD1 3.66Å; F179-L222 HydrophobicContact CD2-CG 3.98Å; F179-L222 HydrophobicContact CE2-CD1 3.71Å; T180-L222 PolarHBondContact O-N 2.94Å; D181-L222 VanDerWaalsContact CA-O 3.31Å; D181-L222 WeakPolarHBondContact CA-O 3.33Å; I220-L222 HydrophobicContact CG2-CD2 3.96Å; L222-V224 PolarHBondContact O-N 3.44Å; L222-L253 HydrophobicContact CB-CD2 4.34Å; L222-I254 HydrophobicContact CD1-CD1 3.47Å; L222-I254 VanDerWaalsContact CD1-CD1 3.47Å; L222-F257 HydrophobicContact CD1-CD1 4.1Å; L222-F257 HydrophobicContact CD1-CG 4.22Å; L222-F257 HydrophobicContact CD2-CD2 4.08Å; L222-F257 HydrophobicContact CD2-CE2 4.38Å; L222-F257 HydrophobicContact CD2-CG 4.28Å
223	D	98.5	Very high	97.7	Very high	5 Å²	5	32 Å²	32	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	104	-177.2	-167.5	1.4	0	0	0	111	I154 T155 V156 L221 G225 G239 I240	I154-D223 PolarHBondContact O-N 3.16Å; T155-D223 CarbonylContact C-O 3.6Å; T155-D223 WeakPolarHBondContact CA-O 3.33Å; T155-D223 HydrophobicContact CG2-CB 4.21Å; V156-D223 PolarHBondContact N-O 2.75Å; L221-D223 HydrophobicContact CD2-CB 3.74Å; D223-G225 PolarHBondContact OD1-N 3.39Å; D223-G225 VanDerWaalsContact OD1-N 3.12Å; D223-G239 WeakPolarHBondContact OD2-CA 3.44Å; D223-I240 VanDerWaalsContact O-CD1 3.29Å; D223-I240 WeakPolarHBondContact O-CD1 3.47Å; D223-I240 PolarHBondContact OD2-N 3.22Å
224	V	98.3	Very high	97.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.159	C	C	.	.			trans	-106.1	13.4	177.7	-62	0	0	0	0	112.4	V156 D181 L222 R244 I245 Y250 L253	V156-V224 HydrophobicContact CB-CG1 4.45Å; D181-V224 HydrophobicContact CB-CG2 4.39Å; L222-V224 PolarHBondContact O-N 3.44Å; V224-R244 WeakPolarHBondContact O-CA 3.4Å; V224-I245 PolarHBondContact O-N 3.05Å; V224-Y250 HydrophobicContact CB-CD2 4.2Å; V224-Y250 HydrophobicContact CB-CE2 4.47Å; V224-Y250 HydrophobicContact CG1-CD2 3.81Å; V224-Y250 HydrophobicContact CG1-CE2 4.05Å; V224-Y250 HydrophobicContact CG2-CD2 4.19Å; V224-Y250 HydrophobicContact CG2-CE2 4.05Å; V224-L253 HydrophobicContact CG1-CD2 3.53Å
225	G	98.2	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.			trans	93.1	-178.7	-172.7	0	0	0	0	0	111.9	D223 H242 R244	D223-G225 PolarHBondContact OD1-N 3.39Å; D223-G225 VanDerWaalsContact OD1-N 3.12Å; G225-H242 VanDerWaalsContact CA-O 3.32Å; G225-H242 WeakPolarHBondContact CA-O 3.47Å; G225-R244 WeakPolarHBondContact O-CG 3.16Å; G225-R244 PolarHBondContact O-NH1 3.42Å
226	T	98.3	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.			trans	-141.5	136.6	-179.9	-179	0	0	0	0	111.9	D190 N228 L231 L232 Y237 H242 K243	D190-T226 WeakPolarHBondContact OD1-CB 3.35Å; D190-T226 PolarHBondContact OD1-OG1 3.13Å; D190-T226 PolarHBondContact OD2-OG1 2.97Å; T226-N228 VanDerWaalsContact C-N 3.25Å; T226-N228 VanDerWaalsContact OG1-CB 3.3Å; T226-N228 WeakPolarHBondContact OG1-CB 3.48Å; T226-N228 PolarHBondContact OG1-N 3.24Å; T226-N228 VanDerWaalsContact OG1-N 3.17Å; T226-L231 HydrophobicContact CG2-CB 4.3Å; T226-L232 HydrophobicContact CG2-CD2 3.76Å; T226-L232 HydrophobicContact CG2-CG 3.98Å; T226-L232 WeakPolarHBondContact O-CD1 3.24Å; T226-Y237 HydrophobicContact CG2-CE1 4.01Å; T226-Y237 WeakPolarHBondContact CG2-OH 3.29Å; T226-H242 PolarHBondContact N-O 2.96Å; T226-K243 WeakPolarHBondContact O-CA 3.38Å
227	D	98	Very high	97.5	Very high	62 Å²	62	36.7 Å²	36.7	33%	0.332	20%	0.197	S	C	.	.			trans	-81.5	-10	173.7	-66.5	-30.7	0	0	0	111.6	D190 Q229 K243 R244 R246	D190-D227 PolarHBondContact OD2-N 2.95Å; D227-Q229 PolarHBondContact O-N 3.35Å; D227-Q229 VanDerWaalsContact O-N 3.15Å; D227-K243 HydrophobicContact CB-CD 4.42Å; D227-K243 PolarHBondContact O-NZ 3.23Å; D227-K243 WeakPolarHBondContact OD1-CD 3.32Å; D227-R244 PolarHBondContact OD1-N 2.96Å; D227-R246 IonicContact OD2-CZ 3.41Å; D227-R246 IonicContact OD2-NE 2.8Å; D227-R246 IonicContact OD2-NH2 3.2Å; D227-R246 PolarHBondContact OD2-NH2 2.76Å
228	N	97.7	Very high	97.3	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	22%	0.216	C	C	.	.			trans	-70.4	104.6	176.3	-171	-28.3	0	0	0	111.7	D190 T226 E230 L231 L232	D190-N228 WeakPolarHBondContact O-CB 3.2Å; D190-N228 PolarHBondContact O-ND2 3.33Å; T226-N228 VanDerWaalsContact C-N 3.25Å; T226-N228 VanDerWaalsContact OG1-CB 3.3Å; T226-N228 WeakPolarHBondContact OG1-CB 3.48Å; T226-N228 PolarHBondContact OG1-N 3.24Å; T226-N228 VanDerWaalsContact OG1-N 3.17Å; N228-E230 VanDerWaalsContact C-N 3.3Å; N228-E230 PolarHBondContact O-N 3.48Å; N228-E230 WeakPolarHBondContact OD1-CB 3.23Å; N228-E230 PolarHBondContact OD1-N 2.83Å; N228-L231 HydrophobicContact CB-CB 4.25Å; N228-L231 HydrophobicContact CB-CD1 4.06Å; N228-L231 HydrophobicContact CB-CG 4.16Å; N228-L231 PolarHBondContact O-N 3.4Å; N228-L231 PolarHBondContact OD1-N 3.19Å; N228-L232 WeakPolarHBondContact O-CG 3.48Å; N228-L232 PolarHBondContact O-N 3.32Å; N228-L232 VanDerWaalsContact O-N 3.12Å
229	Q	97.9	Very high	97.3	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	22%	0.221	S	C	.	.	H	α-helix	trans	-67.9	-28.8	-177.3	-165.6	59.4	49.3	0	0	113.2	D227 L231 L232 N233	D227-Q229 PolarHBondContact O-N 3.35Å; D227-Q229 VanDerWaalsContact O-N 3.15Å; Q229-L231 VanDerWaalsContact C-N 3.34Å; Q229-L232 PolarHBondContact O-N 3.14Å; Q229-N233 PolarHBondContact NE2-OD1 3.17Å; Q229-N233 WeakPolarHBondContact O-CB 3.31Å; Q229-N233 PolarHBondContact O-N 3.19Å; Q229-N233 PolarHBondContact O-ND2 2.85Å; Q229-N233 PolarHBondContact O-OD1 3.15Å
230	E	96.8	Very high	97.2	Very high	161 Å²	161	41.2 Å²	41.2	75%	0.752	23%	0.225	S	C	*	.	H	α-helix	trans	-64.3	-43.5	176.9	-61.5	-177.7	172.6	0	0	110.4	N228 N233 D234	N228-E230 VanDerWaalsContact C-N 3.3Å; N228-E230 PolarHBondContact O-N 3.48Å; N228-E230 WeakPolarHBondContact OD1-CB 3.23Å; N228-E230 PolarHBondContact OD1-N 2.83Å; E230-N233 PolarHBondContact O-N 3.39Å; E230-D234 PolarHBondContact O-N 2.82Å
231	L	97	Very high	97.1	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-41.6	175.5	-66.1	-177.8	0	0	0	112.6	L191 Y194 T226 N228 Q229 N233 D234 Y237	L191-L231 HydrophobicContact CB-CD1 4.38Å; L191-L231 HydrophobicContact CD2-CD1 4.27Å; L191-L231 WeakPolarHBondContact O-CD1 3.43Å; Y194-L231 HydrophobicContact CD2-CD1 4.48Å; Y194-L231 HydrophobicContact CD2-CD2 3.68Å; Y194-L231 HydrophobicContact CE2-CD2 3.61Å; T226-L231 HydrophobicContact CG2-CB 4.3Å; N228-L231 HydrophobicContact CB-CB 4.25Å; N228-L231 HydrophobicContact CB-CD1 4.06Å; N228-L231 HydrophobicContact CB-CG 4.16Å; N228-L231 PolarHBondContact O-N 3.4Å; N228-L231 PolarHBondContact OD1-N 3.19Å; Q229-L231 VanDerWaalsContact C-N 3.34Å; L231-N233 PolarHBondContact O-N 2.92Å; L231-D234 WeakPolarHBondContact O-CB 3.32Å; L231-D234 PolarHBondContact O-N 3.5Å; L231-D234 VanDerWaalsContact O-N 3.1Å; L231-Y237 HydrophobicContact CB-CD2 3.96Å; L231-Y237 HydrophobicContact CB-CE2 4.07Å; L231-Y237 HydrophobicContact CB-CG 4.38Å; L231-Y237 HydrophobicContact CD1-CD2 4.5Å; L231-Y237 HydrophobicContact CD1-CE2 4.04Å; L231-Y237 HydrophobicContact CD2-CD2 4.27Å; L231-Y237 HydrophobicContact CG-CD2 4.47Å; L231-Y237 HydrophobicContact CG-CE2 4.47Å; L231-Y237 VanDerWaalsContact O-CB 3.23Å; L231-Y237 WeakPolarHBondContact O-CB 3.24Å
232	L	97.6	Very high	97.1	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.12	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-33.7	175.8	-69.4	177.3	0	0	0	112.4	T226 N228 Q229 R241 K243	T226-L232 HydrophobicContact CG2-CD2 3.76Å; T226-L232 HydrophobicContact CG2-CG 3.98Å; T226-L232 WeakPolarHBondContact O-CD1 3.24Å; N228-L232 WeakPolarHBondContact O-CG 3.48Å; N228-L232 PolarHBondContact O-N 3.32Å; N228-L232 VanDerWaalsContact O-N 3.12Å; Q229-L232 PolarHBondContact O-N 3.14Å; L232-R241 PolarHBondContact O-NH1 3.3Å; L232-K243 HydrophobicContact CD1-CD 3.98Å
233	N	96.7	Very high	97.1	Very high	111 Å²	111	53.8 Å²	53.8	59%	0.594	28%	0.277	S	S	*	.	H	α-helix	trans	-82	-17	177.6	-66.4	-12.8	0	0	0	113.1	Q229 E230 L231 P235	Q229-N233 PolarHBondContact NE2-OD1 3.17Å; Q229-N233 WeakPolarHBondContact O-CB 3.31Å; Q229-N233 PolarHBondContact O-N 3.19Å; Q229-N233 PolarHBondContact O-ND2 2.85Å; Q229-N233 PolarHBondContact O-OD1 3.15Å; E230-N233 PolarHBondContact O-N 3.39Å; L231-N233 PolarHBondContact O-N 2.92Å; N233-P235 WeakPolarHBondContact O-CD 3.34Å
234	D	95.7	Very high	97	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	28%	0.279	C	S	.	.			trans	-71.2	118.9	-179.6	179.7	-2.8	0	0	0	110.2	Y194 E230 L231 V236 Y237 R241	Y194-D234 PolarHBondContact OH-OD2 3.48Å; E230-D234 PolarHBondContact O-N 2.82Å; L231-D234 WeakPolarHBondContact O-CB 3.32Å; L231-D234 PolarHBondContact O-N 3.5Å; L231-D234 VanDerWaalsContact O-N 3.1Å; D234-V236 PolarHBondContact O-N 2.65Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.4Å; D234-V236 PolarHBondContact OD1-N 2.78Å; D234-Y237 WeakPolarHBondContact O-CB 3.45Å; D234-Y237 PolarHBondContact O-N 3.42Å; D234-R241 VanDerWaalsContact O-CZ 3.27Å; D234-R241 PolarHBondContact O-NH1 2.76Å; D234-R241 PolarHBondContact O-NH2 3.04Å
235	P	94.3	Very high	97	Very high	114 Å²	114	55.4 Å²	55.4	74%	0.74	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.4	-179.9	26.8	-36.3	0	0	0	113.8	N233 R241	N233-P235 WeakPolarHBondContact O-CD 3.34Å; P235-R241 PolarHBondContact O-NH2 3.48Å
236	V	94.5	Very high	96.9	Very high	74 Å²	74	61.2 Å²	61.2	45%	0.448	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	5.5	178.7	-58.5	0	0	0	0	113.9	V144 Y194 D234 T238	V144-V236 HydrophobicContact CG2-CG2 4.4Å; Y194-V236 PolarHBondContact OH-O 3.34Å; D234-V236 PolarHBondContact O-N 2.65Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.4Å; D234-V236 PolarHBondContact OD1-N 2.78Å; V236-T238 WeakPolarHBondContact O-CG2 3.39Å; V236-T238 PolarHBondContact O-N 2.99Å
237	Y	96.3	Very high	96.8	Very high	10 Å²	10	63.9 Å²	63.9	4%	0.039	32%	0.321	C	S	.	.			trans	-56.7	128.6	171	-175.7	-114.6	0	0	0	111.7	A193 Y194 T226 L231 D234 G239 R241	A193-Y237 PolarHBondContact N-OH 3.2Å; Y194-Y237 AromaticContact CD1-CD2 3.85Å; Y194-Y237 HydrophobicContact CD1-CD2 3.85Å; Y194-Y237 AromaticContact CD1-CE2 3.88Å; Y194-Y237 HydrophobicContact CD1-CE2 3.88Å; Y194-Y237 HydrophobicContact CD2-CD2 4.4Å; Y194-Y237 AromaticContact CE1-CD2 3.58Å; Y194-Y237 HydrophobicContact CE1-CD2 3.58Å; Y194-Y237 HydrophobicContact CE1-CE2 4.1Å; Y194-Y237 HydrophobicContact CE2-CD2 4.13Å; Y194-Y237 HydrophobicContact CG-CD2 4.27Å; Y194-Y237 HydrophobicContact CG-CE2 4.14Å; Y194-Y237 AromaticContact CZ-CD2 3.71Å; Y194-Y237 WeakPolarHBondContact OH-CA 3.32Å; T226-Y237 HydrophobicContact CG2-CE1 4.01Å; T226-Y237 WeakPolarHBondContact CG2-OH 3.29Å; L231-Y237 HydrophobicContact CB-CD2 3.96Å; L231-Y237 HydrophobicContact CB-CE2 4.07Å; L231-Y237 HydrophobicContact CB-CG 4.38Å; L231-Y237 HydrophobicContact CD1-CD2 4.5Å; L231-Y237 HydrophobicContact CD1-CE2 4.04Å; L231-Y237 HydrophobicContact CD2-CD2 4.27Å; L231-Y237 HydrophobicContact CG-CD2 4.47Å; L231-Y237 HydrophobicContact CG-CE2 4.47Å; L231-Y237 VanDerWaalsContact O-CB 3.23Å; L231-Y237 WeakPolarHBondContact O-CB 3.24Å; D234-Y237 WeakPolarHBondContact O-CB 3.45Å; D234-Y237 PolarHBondContact O-N 3.42Å; Y237-G239 VanDerWaalsContact CE1-C 3.45Å; Y237-R241 HydrophobicContact CD1-CG 4.46Å; Y237-R241 PolarHBondContact O-NH2 3.07Å
238	T	95	Very high	96.7	Very high	76 Å²	76	67.8 Å²	67.8	47%	0.466	34%	0.337	S	S	.	.			trans	-99.9	-1.7	-171.6	57.6	0	0	0	0	114	V236	V236-T238 WeakPolarHBondContact O-CG2 3.39Å; V236-T238 PolarHBondContact O-N 2.99Å
239	G	97.1	Very high	96.8	Very high	11 Å²	11	69.8 Å²	69.8	11%	0.113	34%	0.342	C	S	.	.	S	Bend	trans	-93.4	178.5	174.8	0	0	0	0	0	113.5	A193 D223 Y237	A193-G239 VanDerWaalsContact CB-CA 3.4Å; D223-G239 WeakPolarHBondContact OD2-CA 3.44Å; Y237-G239 VanDerWaalsContact CE1-C 3.45Å
240	I	97.5	Very high	96.8	Very high	28 Å²	28	65.9 Å²	65.9	14%	0.144	32%	0.323	C	S	.	.			trans	-68.7	136.5	177.1	70	-168	0	0	0	111.1	T155 V156 D223 H242	T155-I240 HydrophobicContact CG2-CG2 3.73Å; V156-I240 HydrophobicContact CG1-CD1 3.99Å; D223-I240 VanDerWaalsContact O-CD1 3.29Å; D223-I240 WeakPolarHBondContact O-CD1 3.47Å; D223-I240 PolarHBondContact OD2-N 3.22Å; I240-H242 WeakPolarHBondContact CD1-CE1 3.29Å; I240-H242 WeakPolarHBondContact CD1-NE2 3.28Å; I240-H242 PolarHBondContact O-N 3.06Å; I240-H242 VanDerWaalsContact O-N 3.17Å
241	R	96.9	Very high	96.9	Very high	124 Å²	124	60.5 Å²	60.5	47%	0.468	30%	0.299	S	S	.	.	S	Bend	trans	-94	58.5	-169.2	-66.2	-176.3	177.4	-95.4	-4.2	112.8	L232 D234 P235 Y237	L232-R241 PolarHBondContact O-NH1 3.3Å; D234-R241 VanDerWaalsContact O-CZ 3.27Å; D234-R241 PolarHBondContact O-NH1 2.76Å; D234-R241 PolarHBondContact O-NH2 3.04Å; P235-R241 PolarHBondContact O-NH2 3.48Å; Y237-R241 HydrophobicContact CD1-CG 4.46Å; Y237-R241 PolarHBondContact O-NH2 3.07Å
242	H	97.5	Very high	96.9	Very high	53 Å²	53	63.3 Å²	63.3	25%	0.245	31%	0.312	C	S	.	.	S	Bend	trans	-145.2	165.5	169.4	61.6	66.2	0	0	0	111.5	H157 G225 T226 I240	H157-H242 AromaticContact NE2-NE2 3.57Å; G225-H242 VanDerWaalsContact CA-O 3.32Å; G225-H242 WeakPolarHBondContact CA-O 3.47Å; T226-H242 PolarHBondContact N-O 2.96Å; I240-H242 WeakPolarHBondContact CD1-CE1 3.29Å; I240-H242 WeakPolarHBondContact CD1-NE2 3.28Å; I240-H242 PolarHBondContact O-N 3.06Å; I240-H242 VanDerWaalsContact O-N 3.17Å
243	K	98.3	Very high	97	Very high	88 Å²	88	62.2 Å²	62.2	38%	0.383	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-61.4	158.1	173.4	-66	-63.7	179.9	-166.8	0	111.6	T226 D227 L232 I245	T226-K243 WeakPolarHBondContact O-CA 3.38Å; D227-K243 HydrophobicContact CB-CD 4.42Å; D227-K243 PolarHBondContact O-NZ 3.23Å; D227-K243 WeakPolarHBondContact OD1-CD 3.32Å; L232-K243 HydrophobicContact CD1-CD 3.98Å; K243-I245 PolarHBondContact O-N 2.85Å
244	R	98	Very high	97.1	Very high	16 Å²	16	56.9 Å²	56.9	6%	0.06	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-57.7	133.8	-176.4	-78.1	-169.6	132.5	58.6	8.6	111.9	D181 D190 V224 G225 D227 R246	D181-R244 PolarHBondContact O-NH2 2.87Å; D181-R244 IonicContact OD1-NH2 3.26Å; D190-R244 IonicContact OD1-CZ 2.68Å; D190-R244 IonicContact OD1-NH1 3.81Å; D190-R244 PolarHBondContact OD1-NH1 3.29Å; D190-R244 IonicContact OD2-CZ 3.69Å; D190-R244 IonicContact OD2-NH1 2.67Å; D190-R244 PolarHBondContact OD2-NH1 3.26Å; V224-R244 WeakPolarHBondContact O-CA 3.4Å; G225-R244 WeakPolarHBondContact O-CG 3.16Å; G225-R244 PolarHBondContact O-NH1 3.42Å; D227-R244 PolarHBondContact OD1-N 2.96Å; R244-R246 HydrophobicContact CB-CG 4.41Å; R244-R246 VanDerWaalsContact CD-NH2 3.25Å
245	I	97.5	Very high	97.2	Very high	23 Å²	23	57.2 Å²	57.2	12%	0.118	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-78.9	128.5	168.3	-58.1	-58.6	0	0	0	108.9	V156 V224 K243 D247 R249	V156-I245 HydrophobicContact CG1-CG1 4.13Å; V156-I245 HydrophobicContact CG2-CB 4.38Å; V156-I245 HydrophobicContact CG2-CG1 4.38Å; V156-I245 HydrophobicContact CG2-CG2 4.26Å; V224-I245 PolarHBondContact O-N 3.05Å; K243-I245 PolarHBondContact O-N 2.85Å; I245-D247 WeakPolarHBondContact CG2-OD1 3.25Å; I245-R249 VanDerWaalsContact CD1-NH2 3.27Å; I245-R249 HydrophobicContact CG2-CB 4.07Å
246	R	95.8	Very high	97.4	Very high	122 Å²	122	53.8 Å²	53.8	46%	0.46	25%	0.254	S	S	.	.			trans	-131.7	7.2	-177.8	-57.8	-173.4	-179	-76.8	4.7	113.3	E183 D227 R244	E183-R246 IonicContact OE1-CZ 3.41Å; E183-R246 IonicContact OE1-NH1 3.76Å; E183-R246 PolarHBondContact OE1-NH1 2.94Å; E183-R246 IonicContact OE1-NH2 2.87Å; E183-R246 PolarHBondContact OE1-NH2 3.25Å; E183-R246 IonicContact OE2-NH1 3.9Å; D227-R246 IonicContact OD2-CZ 3.41Å; D227-R246 IonicContact OD2-NE 2.8Å; D227-R246 IonicContact OD2-NH2 3.2Å; D227-R246 PolarHBondContact OD2-NH2 2.76Å; R244-R246 HydrophobicContact CB-CG 4.41Å; R244-R246 VanDerWaalsContact CD-NH2 3.25Å
247	D	96.1	Very high	97.6	Very high	56 Å²	56	50.3 Å²	50.3	30%	0.299	23%	0.232	S	C	.	.	S	Bend	trans	-87.7	-170.3	176.1	61.8	31.7	0	0	0	110.7	I245 R249 Y250	I245-D247 WeakPolarHBondContact CG2-OD1 3.25Å; D247-R249 PolarHBondContact O-N 3.41Å; D247-R249 VanDerWaalsContact OD1-CB 3.24Å; D247-R249 WeakPolarHBondContact OD1-CB 2.96Å; D247-R249 WeakPolarHBondContact OD1-CG 3.29Å; D247-R249 IonicContact OD1-CZ 3.59Å; D247-R249 PolarHBondContact OD1-N 3.28Å; D247-R249 IonicContact OD1-NE 2.6Å; D247-R249 PolarHBondContact OD1-NE 3.31Å; D247-R249 IonicContact OD1-NH2 3.84Å; D247-R249 IonicContact OD2-CZ 2.71Å; D247-R249 VanDerWaalsContact OD2-CZ 3.26Å; D247-R249 IonicContact OD2-NE 2.64Å; D247-R249 PolarHBondContact OD2-NE 3.37Å; D247-R249 VanDerWaalsContact OD2-NE 3.1Å; D247-R249 IonicContact OD2-NH2 2.82Å; D247-R249 PolarHBondContact OD2-NH2 3.45Å; D247-Y250 WeakPolarHBondContact O-CB 3.47Å; D247-Y250 PolarHBondContact O-N 2.7Å
248	E	97.5	Very high	97.7	Very high	144 Å²	144	49.8 Å²	49.8	67%	0.673	23%	0.23	S	C	*	.	H	α-helix	trans	-54.6	-23.6	-176.7	63.7	-82.2	-175.2	0	0	114.2	Y250 D251 E252	E248-Y250 VanDerWaalsContact C-N 3.26Å; E248-Y250 PolarHBondContact O-N 2.86Å; E248-D251 PolarHBondContact O-N 2.95Å; E248-E252 WeakPolarHBondContact O-CB 3.46Å; E248-E252 PolarHBondContact O-N 2.93Å
249	R	98.1	Very high	97.9	Very high	82 Å²	82	50.3 Å²	50.3	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-67.9	-27.4	178.8	-59.1	174	-70.3	172.1	-5.8	112.3	V156 I245 D247 L253	V156-R249 HydrophobicContact CG2-CB 4.06Å; I245-R249 VanDerWaalsContact CD1-NH2 3.27Å; I245-R249 HydrophobicContact CG2-CB 4.07Å; D247-R249 PolarHBondContact O-N 3.41Å; D247-R249 VanDerWaalsContact OD1-CB 3.24Å; D247-R249 WeakPolarHBondContact OD1-CB 2.96Å; D247-R249 WeakPolarHBondContact OD1-CG 3.29Å; D247-R249 IonicContact OD1-CZ 3.59Å; D247-R249 PolarHBondContact OD1-N 3.28Å; D247-R249 IonicContact OD1-NE 2.6Å; D247-R249 PolarHBondContact OD1-NE 3.31Å; D247-R249 IonicContact OD1-NH2 3.84Å; D247-R249 IonicContact OD2-CZ 2.71Å; D247-R249 VanDerWaalsContact OD2-CZ 3.26Å; D247-R249 IonicContact OD2-NE 2.64Å; D247-R249 PolarHBondContact OD2-NE 3.37Å; D247-R249 VanDerWaalsContact OD2-NE 3.1Å; D247-R249 IonicContact OD2-NH2 2.82Å; D247-R249 PolarHBondContact OD2-NH2 3.45Å; R249-L253 WeakPolarHBondContact O-CB 3.18Å; R249-L253 PolarHBondContact O-N 3.45Å
250	Y	98.3	Very high	98	Very high	8 Å²	8	50 Å²	50	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-51.2	173.7	179.7	-84.8	0	0	0	110	D181 V224 D247 E248 E252 L253 I254 N280 L284	D181-Y250 PolarHBondContact OD2-OH 3.22Å; V224-Y250 HydrophobicContact CB-CD2 4.2Å; V224-Y250 HydrophobicContact CB-CE2 4.47Å; V224-Y250 HydrophobicContact CG1-CD2 3.81Å; V224-Y250 HydrophobicContact CG1-CE2 4.05Å; V224-Y250 HydrophobicContact CG2-CD2 4.19Å; V224-Y250 HydrophobicContact CG2-CE2 4.05Å; D247-Y250 WeakPolarHBondContact O-CB 3.47Å; D247-Y250 PolarHBondContact O-N 2.7Å; E248-Y250 VanDerWaalsContact C-N 3.26Å; E248-Y250 PolarHBondContact O-N 2.86Å; Y250-E252 VanDerWaalsContact C-N 3.32Å; Y250-E252 PolarHBondContact O-N 3.3Å; Y250-L253 WeakPolarHBondContact O-CB 3.33Å; Y250-L253 PolarHBondContact O-N 3.48Å; Y250-I254 HydrophobicContact CD1-CG1 4.21Å; Y250-I254 HydrophobicContact CE1-CD1 4.38Å; Y250-I254 HydrophobicContact CE1-CG1 3.84Å; Y250-I254 WeakPolarHBondContact O-CG1 3.49Å; Y250-I254 PolarHBondContact O-N 3.32Å; Y250-I254 VanDerWaalsContact O-N 3.09Å; Y250-N280 VanDerWaalsContact CZ-ND2 3.34Å; Y250-N280 PolarHBondContact OH-ND2 3.49Å; Y250-N280 VanDerWaalsContact OH-ND2 3.16Å; Y250-L284 HydrophobicContact CE1-CD1 4.24Å
251	D	98.2	Very high	98	Very high	48 Å²	48	48.8 Å²	48.8	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-35	-179.6	-73.3	-34.7	0	0	0	112.4	E248 I254 E255 R283	E248-D251 PolarHBondContact O-N 2.95Å; D251-I254 PolarHBondContact O-N 3.44Å; D251-E255 WeakPolarHBondContact O-CB 3.42Å; D251-E255 PolarHBondContact O-N 2.69Å; D251-R283 IonicContact OD1-CZ 3.1Å; D251-R283 VanDerWaalsContact OD1-CZ 3.22Å; D251-R283 IonicContact OD1-NH1 3.05Å; D251-R283 PolarHBondContact OD1-NH1 2.8Å; D251-R283 IonicContact OD1-NH2 2.86Å; D251-R283 PolarHBondContact OD1-NH2 2.92Å; D251-R283 IonicContact OD2-NH1 2.68Å; D251-R283 PolarHBondContact OD2-NH1 2.92Å
252	E	98.5	Very high	98.1	Very high	72 Å²	72	43.7 Å²	43.7	34%	0.336	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-40.2	172.7	-176	174.9	-127.5	0	0	112	R159 H160 E248 Y250 N256	R159-E252 VanDerWaalsContact CD-OE2 3.28Å; R159-E252 WeakPolarHBondContact CD-OE2 3.45Å; R159-E252 IonicContact CZ-OE2 3.71Å; R159-E252 IonicContact NE-OE2 3.72Å; R159-E252 PolarHBondContact NE-OE2 3.19Å; R159-E252 IonicContact NH2-OE2 2.64Å; H160-E252 VanDerWaalsContact CE1-CD 3.41Å; H160-E252 IonicContact CE1-OE1 4Å; H160-E252 PolarHBondContact CE1-OE1 2.73Å; H160-E252 IonicContact CE1-OE2 3.42Å; H160-E252 PolarHBondContact CE1-OE2 2.82Å; H160-E252 VanDerWaalsContact CE1-OE2 3.3Å; H160-E252 IonicContact NE2-OE2 3.32Å; E248-E252 WeakPolarHBondContact O-CB 3.46Å; E248-E252 PolarHBondContact O-N 2.93Å; Y250-E252 VanDerWaalsContact C-N 3.32Å; Y250-E252 PolarHBondContact O-N 3.3Å; E252-N256 WeakPolarHBondContact O-CB 3.43Å; E252-N256 PolarHBondContact O-N 3.46Å; E252-N256 PolarHBondContact O-ND2 2.86Å
253	L	98.7	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-48.8	174.1	173.5	68.1	0	0	0	111.5	I154 V156 R159 I162 L222 V224 R249 Y250 F257	I154-L253 HydrophobicContact CG2-CD1 3.96Å; V156-L253 HydrophobicContact CB-CD2 4.44Å; R159-L253 HydrophobicContact CB-CB 3.96Å; R159-L253 HydrophobicContact CB-CD1 3.79Å; I162-L253 HydrophobicContact CD1-CD1 4.03Å; L222-L253 HydrophobicContact CB-CD2 4.34Å; V224-L253 HydrophobicContact CG1-CD2 3.53Å; R249-L253 WeakPolarHBondContact O-CB 3.18Å; R249-L253 PolarHBondContact O-N 3.45Å; Y250-L253 WeakPolarHBondContact O-CB 3.33Å; Y250-L253 PolarHBondContact O-N 3.48Å; L253-F257 WeakPolarHBondContact O-CB 3.4Å; L253-F257 PolarHBondContact O-N 2.81Å
254	I	98.5	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-44.8	-179.1	-55.8	-60.5	0	0	0	110.7	L222 Y250 D251 F257 M258 L284 Y288	L222-I254 HydrophobicContact CD1-CD1 3.47Å; L222-I254 VanDerWaalsContact CD1-CD1 3.47Å; Y250-I254 HydrophobicContact CD1-CG1 4.21Å; Y250-I254 HydrophobicContact CE1-CD1 4.38Å; Y250-I254 HydrophobicContact CE1-CG1 3.84Å; Y250-I254 WeakPolarHBondContact O-CG1 3.49Å; Y250-I254 PolarHBondContact O-N 3.32Å; Y250-I254 VanDerWaalsContact O-N 3.09Å; D251-I254 PolarHBondContact O-N 3.44Å; I254-F257 WeakPolarHBondContact O-CB 3.4Å; I254-F257 PolarHBondContact O-N 3.33Å; I254-M258 HydrophobicContact CG2-CG 4.18Å; I254-M258 VanDerWaalsContact O-CG 3.28Å; I254-M258 WeakPolarHBondContact O-CG 3.49Å; I254-M258 PolarHBondContact O-N 3.32Å; I254-L284 HydrophobicContact CG1-CD1 4.46Å; I254-L284 HydrophobicContact CG1-CD2 4.43Å; I254-L284 HydrophobicContact CG2-CD2 4.23Å; I254-Y288 HydrophobicContact CG2-CD2 4.33Å; I254-Y288 HydrophobicContact CG2-CE2 3.47Å; I254-Y288 VanDerWaalsContact CG2-CE2 3.47Å
255	E	98.6	Very high	98	Very high	53 Å²	53	47.4 Å²	47.4	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-52.1	179	-172.2	63.7	-143	0	0	111.7	D251 F257 M258 Q259 R287 Y288	D251-E255 WeakPolarHBondContact O-CB 3.42Å; D251-E255 PolarHBondContact O-N 2.69Å; E255-F257 PolarHBondContact O-N 2.96Å; E255-M258 PolarHBondContact O-N 3.38Å; E255-Q259 WeakPolarHBondContact O-CB 3.41Å; E255-Q259 PolarHBondContact O-N 3.42Å; E255-R287 IonicContact OE2-CZ 3.65Å; E255-R287 IonicContact OE2-NE 3.33Å; E255-R287 PolarHBondContact OE2-NE 3.02Å; E255-R287 IonicContact OE2-NH2 3.92Å; E255-R287 PolarHBondContact OE2-NH2 3.5Å; E255-Y288 WeakPolarHBondContact CA-OH 3.41Å; E255-Y288 PolarHBondContact N-OH 3.27Å; E255-Y288 VanDerWaalsContact OE2-CE1 3.23Å; E255-Y288 WeakPolarHBondContact OE2-CE1 3.06Å; E255-Y288 PolarHBondContact OE2-OH 3.36Å
256	N	98.7	Very high	98	Very high	42 Å²	42	47.7 Å²	47.7	23%	0.225	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-32.7	-179.6	-66.2	-13.1	0	0	0	111.2	R159 I162 E252 A260	R159-N256 WeakPolarHBondContact O-CB 3.32Å; R159-N256 PolarHBondContact O-ND2 2.85Å; I162-N256 HydrophobicContact CD1-CB 3.78Å; E252-N256 WeakPolarHBondContact O-CB 3.43Å; E252-N256 PolarHBondContact O-N 3.46Å; E252-N256 PolarHBondContact O-ND2 2.86Å; N256-A260 WeakPolarHBondContact O-CB 3.47Å; N256-A260 PolarHBondContact O-N 3.12Å
257	F	98.8	Very high	98.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-52.6	174.8	168	-106.9	0	0	0	111.6	I154 I162 I177 F179 I220 L222 L253 I254 E255 Q259 A260 V261 V271	I154-F257 HydrophobicContact CD1-CD2 4.01Å; I154-F257 HydrophobicContact CD1-CE2 4.23Å; I162-F257 HydrophobicContact CD1-CB 3.92Å; I162-F257 VanDerWaalsContact CD1-N 3.34Å; I162-F257 HydrophobicContact CG2-CD2 4.45Å; I177-F257 HydrophobicContact CG2-CZ 4.37Å; F179-F257 HydrophobicContact CB-CZ 4.34Å; F179-F257 HydrophobicContact CD1-CE1 4.14Å; F179-F257 HydrophobicContact CD1-CZ 4.47Å; F179-F257 HydrophobicContact CD2-CD1 4.3Å; F179-F257 AromaticContact CD2-CE1 3.6Å; F179-F257 HydrophobicContact CD2-CE1 3.6Å; F179-F257 HydrophobicContact CD2-CZ 4.06Å; F179-F257 HydrophobicContact CE1-CE1 4.15Å; F179-F257 AromaticContact CE2-CD1 3.97Å; F179-F257 HydrophobicContact CE2-CD1 3.97Å; F179-F257 AromaticContact CE2-CE1 3.55Å; F179-F257 HydrophobicContact CE2-CE1 3.55Å; F179-F257 HydrophobicContact CE2-CZ 4.44Å; F179-F257 AromaticContact CG-CE1 3.88Å; F179-F257 HydrophobicContact CG-CE1 3.88Å; F179-F257 HydrophobicContact CG-CZ 4.04Å; F179-F257 HydrophobicContact CZ-CD1 4.39Å; F179-F257 AromaticContact CZ-CE1 3.83Å; F179-F257 HydrophobicContact CZ-CE1 3.83Å; I220-F257 HydrophobicContact CD1-CE2 3.66Å; I220-F257 HydrophobicContact CD1-CZ 4.04Å; I220-F257 HydrophobicContact CG2-CE2 4.01Å; I220-F257 HydrophobicContact CG2-CZ 4.39Å; L222-F257 HydrophobicContact CD1-CD1 4.1Å; L222-F257 HydrophobicContact CD1-CG 4.22Å; L222-F257 HydrophobicContact CD2-CD2 4.08Å; L222-F257 HydrophobicContact CD2-CE2 4.38Å; L222-F257 HydrophobicContact CD2-CG 4.28Å; L253-F257 WeakPolarHBondContact O-CB 3.4Å; L253-F257 PolarHBondContact O-N 2.81Å; I254-F257 WeakPolarHBondContact O-CB 3.4Å; I254-F257 PolarHBondContact O-N 3.33Å; E255-F257 PolarHBondContact O-N 2.96Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 3.31Å; F257-A260 PolarHBondContact O-N 2.71Å; F257-V261 HydrophobicContact CD2-CG2 4.02Å; F257-V261 HydrophobicContact CE1-CG2 4.44Å; F257-V261 HydrophobicContact CE2-CG2 3.56Å; F257-V261 HydrophobicContact CZ-CG2 3.81Å; F257-V261 WeakPolarHBondContact O-CG2 3.39Å; F257-V261 PolarHBondContact O-N 3.38Å; F257-V271 HydrophobicContact CE1-CG1 4.03Å; F257-V271 HydrophobicContact CZ-CG1 4.37Å
258	M	98.7	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-44.2	-179.6	-66.7	-59.2	-69	0	0	110.9	F179 I254 E255 V261 A262 V271 F273 Y288 Y292	F179-M258 HydrophobicContact CZ-SD 4.37Å; I254-M258 HydrophobicContact CG2-CG 4.18Å; I254-M258 VanDerWaalsContact O-CG 3.28Å; I254-M258 WeakPolarHBondContact O-CG 3.49Å; I254-M258 PolarHBondContact O-N 3.32Å; E255-M258 PolarHBondContact O-N 3.38Å; M258-V261 PolarHBondContact O-N 3.04Å; M258-A262 PolarHBondContact O-N 2.95Å; M258-A262 VanDerWaalsContact O-N 3.08Å; M258-V271 HydrophobicContact CE-CB 4.33Å; M258-V271 HydrophobicContact CE-CG1 4.34Å; M258-V271 HydrophobicContact SD-CG1 4.01Å; M258-F273 HydrophobicContact CE-CE2 4.45Å; M258-F273 HydrophobicContact SD-CZ 4.34Å; M258-Y288 HydrophobicContact CB-CD1 4.49Å; M258-Y288 HydrophobicContact CB-CE1 4.34Å; M258-Y288 HydrophobicContact CE-CG 4.4Å; M258-Y288 HydrophobicContact CG-CD1 4.17Å; M258-Y288 HydrophobicContact CG-CD2 4.44Å; M258-Y288 HydrophobicContact CG-CE1 4.11Å; M258-Y288 HydrophobicContact CG-CE2 4.41Å; M258-Y288 HydrophobicContact CG-CG 4.34Å; M258-Y292 HydrophobicContact CB-CD1 4.22Å; M258-Y292 HydrophobicContact CB-CD2 4.35Å; M258-Y292 HydrophobicContact CB-CE1 3.84Å; M258-Y292 HydrophobicContact CB-CE2 3.98Å; M258-Y292 HydrophobicContact CB-CG 4.46Å; M258-Y292 HydrophobicContact CE-CD1 4.04Å; M258-Y292 HydrophobicContact CE-CD2 3.99Å; M258-Y292 HydrophobicContact CE-CG 3.59Å; M258-Y292 VanDerWaalsContact O-CE1 3.25Å; M258-Y292 WeakPolarHBondContact O-CE1 3.41Å
259	Q	98.5	Very high	98.1	Very high	87 Å²	87	39.5 Å²	39.5	41%	0.407	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-50.9	175.9	-177.1	178.8	-7.4	0	0	111.7	E255 F257 V261 A262 E263	E255-Q259 WeakPolarHBondContact O-CB 3.41Å; E255-Q259 PolarHBondContact O-N 3.42Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 3.31Å; Q259-V261 VanDerWaalsContact C-N 3.3Å; Q259-V261 PolarHBondContact O-N 3.09Å; Q259-A262 PolarHBondContact O-N 3.43Å; Q259-E263 HydrophobicContact CG-CG 4.36Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.47Å; Q259-E263 PolarHBondContact NE2-OE1 3.18Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 2.85Å
260	A	98.6	Very high	98.1	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-36.3	-178.1	0	0	0	0	0	112.4	I162 P163 L166 N256 F257 R264	I162-A260 HydrophobicContact CB-CB 4.1Å; I162-A260 HydrophobicContact CG2-CB 3.72Å; P163-A260 HydrophobicContact CG-CB 4.09Å; L166-A260 HydrophobicContact CD1-CB 3.81Å; N256-A260 WeakPolarHBondContact O-CB 3.47Å; N256-A260 PolarHBondContact O-N 3.12Å; F257-A260 PolarHBondContact O-N 2.71Å; A260-R264 WeakPolarHBondContact O-CB 3.26Å; A260-R264 PolarHBondContact O-N 3.18Å
261	V	98.5	Very high	98.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-47.9	174.1	165.9	0	0	0	0	111.2	L166 I177 F257 M258 Q259 E263 R264 Y265 V271	L166-V261 HydrophobicContact CD1-CG2 4.15Å; I177-V261 HydrophobicContact CD1-CB 4.42Å; I177-V261 HydrophobicContact CD1-CG1 3.59Å; I177-V261 HydrophobicContact CD1-CG2 3.88Å; F257-V261 HydrophobicContact CD2-CG2 4.02Å; F257-V261 HydrophobicContact CE1-CG2 4.44Å; F257-V261 HydrophobicContact CE2-CG2 3.56Å; F257-V261 HydrophobicContact CZ-CG2 3.81Å; F257-V261 WeakPolarHBondContact O-CG2 3.39Å; F257-V261 PolarHBondContact O-N 3.38Å; M258-V261 PolarHBondContact O-N 3.04Å; Q259-V261 VanDerWaalsContact C-N 3.3Å; Q259-V261 PolarHBondContact O-N 3.09Å; V261-E263 VanDerWaalsContact C-N 3.32Å; V261-E263 PolarHBondContact O-N 3.34Å; V261-R264 PolarHBondContact O-N 3.33Å; V261-Y265 HydrophobicContact CG1-CD2 4.35Å; V261-Y265 PolarHBondContact O-N 2.8Å; V261-V271 HydrophobicContact CG1-CG2 3.66Å
262	A	97.9	Very high	98.2	Very high	17 Å²	17	33.1 Å²	33.1	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-38.5	178.8	0	0	0	0	0	112.1	M258 Q259 G266 Y292	M258-A262 PolarHBondContact O-N 2.95Å; M258-A262 VanDerWaalsContact O-N 3.08Å; Q259-A262 PolarHBondContact O-N 3.43Å; A262-G266 CarbonylContact O-C 3.33Å; A262-G266 WeakPolarHBondContact O-CA 3.19Å; A262-G266 PolarHBondContact O-N 2.72Å; A262-Y292 HydrophobicContact CB-CD1 4.07Å; A262-Y292 HydrophobicContact CB-CE1 3.79Å
263	E	97.9	Very high	98.2	Very high	129 Å²	129	29.7 Å²	29.7	60%	0.603	15%	0.151	S	C	*	.	H	α-helix	trans	-67.1	-43.2	175.2	-73	176.9	-176.5	0	0	112.2	Q259 V261	Q259-E263 HydrophobicContact CG-CG 4.36Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.47Å; Q259-E263 PolarHBondContact NE2-OE1 3.18Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 2.85Å; V261-E263 VanDerWaalsContact C-N 3.32Å; V261-E263 PolarHBondContact O-N 3.34Å
264	R	97.7	Very high	98.1	Very high	78 Å²	78	29.7 Å²	29.7	29%	0.294	15%	0.151	S	C	.	.	H	α-helix	trans	-80.9	-39.9	-173.5	-179.7	57.5	-175	80.8	4.3	113.9	L166 N167 P172 A260 V261	L166-R264 HydrophobicContact CB-CG 4.32Å; L166-R264 HydrophobicContact CD1-CB 4.2Å; N167-R264 PolarHBondContact OD1-NE 3.38Å; P172-R264 PolarHBondContact O-NH1 2.85Å; A260-R264 WeakPolarHBondContact O-CB 3.26Å; A260-R264 PolarHBondContact O-N 3.18Å; V261-R264 PolarHBondContact O-N 3.33Å
265	Y	97.9	Very high	97.9	Very high	27 Å²	27	30 Å²	30	11%	0.106	15%	0.153	C	C	.	.	H	α-helix	trans	-116	-5.4	-172.4	-56.3	-56.8	0	0	0	113.3	L166 V174 I177 L218 V261	L166-Y265 HydrophobicContact CD1-CE2 4.45Å; L166-Y265 HydrophobicContact CD2-CE2 4.27Å; L166-Y265 PolarHBondContact O-OH 2.84Å; V174-Y265 HydrophobicContact CB-CD1 3.66Å; V174-Y265 HydrophobicContact CB-CD2 4.1Å; V174-Y265 HydrophobicContact CB-CE1 3.83Å; V174-Y265 HydrophobicContact CB-CE2 4.25Å; V174-Y265 HydrophobicContact CB-CG 3.8Å; V174-Y265 HydrophobicContact CG1-CD2 4.5Å; V174-Y265 HydrophobicContact CG2-CD1 3.92Å; V174-Y265 HydrophobicContact CG2-CE1 3.53Å; V174-Y265 HydrophobicContact CG2-CE2 4.26Å; V174-Y265 HydrophobicContact CG2-CG 4.43Å; I177-Y265 HydrophobicContact CD1-CD2 4.07Å; I177-Y265 HydrophobicContact CD1-CE2 4.29Å; L218-Y265 HydrophobicContact CD2-CE2 3.84Å; V261-Y265 HydrophobicContact CG1-CD2 4.35Å; V261-Y265 PolarHBondContact O-N 2.8Å
266	G	97	Very high	97.8	Very high	30 Å²	30	27.4 Å²	27.4	31%	0.309	14%	0.141	S	C	.	.			trans	93.3	160.9	175.9	0	0	0	0	0	113.7	A262 H268 C269	A262-G266 CarbonylContact O-C 3.33Å; A262-G266 WeakPolarHBondContact O-CA 3.19Å; A262-G266 PolarHBondContact O-N 2.72Å; G266-H268 PolarHBondContact O-N 3.25Å; G266-C269 WeakPolarHBondContact O-CB 3.3Å; G266-C269 PolarHBondContact O-N 3.48Å; G266-C269 VanDerWaalsContact O-N 3.09Å
267	N	96.4	Very high	97.4	Very high	84 Å²	84	25.7 Å²	25.7	45%	0.449	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.3	-176.3	-87.2	-34.9	0	0	0	115.6	R506	N267-R506 WeakPolarHBondContact O-CD 3.26Å; N267-R506 PolarHBondContact O-NH1 2.99Å; N267-R506 PolarHBondContact OD1-NH1 3.26Å
268	H	96.4	Very high	96.7	Very high	59 Å²	59	30.1 Å²	30.1	27%	0.273	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5.6	178.6	-50.4	-75.5	0	0	0	112.8	G266 L270 Q504 H563	G266-H268 PolarHBondContact O-N 3.25Å; H268-L270 PolarHBondContact O-N 3.17Å; H268-Q504 HydrophobicContact CB-CB 3.96Å; H268-Q504 HydrophobicContact CB-CG 4.13Å; H268-Q504 PolarHBondContact ND1-O 3.34Å; H268-H563 WeakPolarHBondContact CE1-CB 3.27Å; H268-H563 AromaticContact CE1-CD2 3.71Å; H268-H563 AromaticContact CE1-CG 3.33Å; H268-H563 AromaticContact CE1-ND1 3.8Å; H268-H563 AromaticContact ND1-CD2 3.99Å; H268-H563 AromaticContact ND1-CG 3.96Å
269	C	98.3	Very high	96.1	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.041	19%	0.188	C	C	.	.			trans	-68.2	119.6	169.7	-176.7	0	0	0	0	108.4	G266 V271 C293	G266-C269 WeakPolarHBondContact O-CB 3.3Å; G266-C269 PolarHBondContact O-N 3.48Å; G266-C269 VanDerWaalsContact O-N 3.09Å; C269-V271 PolarHBondContact O-N 2.96Å; C269-C293 WeakPolarHBondContact O-CB 3.01Å
270	L	98.8	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.9	174.3	169.1	60.1	0	0	0	109.5	K175 A176 I177 Y206 H268 C293 F295 I500 T501	K175-L270 WeakPolarHBondContact O-CB 3.4Å; K175-L270 PolarHBondContact O-N 3.29Å; A176-L270 CarbonylContact C-O 3.56Å; I177-L270 PolarHBondContact N-O 3.11Å; Y206-L270 HydrophobicContact CE1-CD2 3.88Å; Y206-L270 WeakPolarHBondContact OH-CD2 3.44Å; H268-L270 PolarHBondContact O-N 3.17Å; L270-C293 CarbonylContact C-O 3.52Å; L270-C293 WeakPolarHBondContact CA-O 3.35Å; L270-F295 HydrophobicContact CD1-CD1 3.52Å; L270-F295 HydrophobicContact CD1-CE1 3.57Å; L270-F295 HydrophobicContact CD2-CE1 3.95Å; L270-F295 HydrophobicContact CG-CE1 4.29Å; L270-I500 HydrophobicContact CB-CG2 4Å; L270-I500 HydrophobicContact CD1-CD1 4.17Å; L270-I500 HydrophobicContact CD1-CG2 4.35Å; L270-I500 HydrophobicContact CD2-CD1 4.41Å; L270-I500 HydrophobicContact CD2-CG2 4.41Å; L270-I500 HydrophobicContact CG-CG2 4.49Å; L270-T501 HydrophobicContact CB-CG2 4.23Å; L270-T501 HydrophobicContact CD2-CG2 4.43Å
271	V	98.7	Very high	95.6	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	100.3	175	-167.1	0	0	0	0	108.4	I177 F179 F257 M258 V261 C269 C293 T294	I177-V271 HydrophobicContact CG2-CG1 4.29Å; F179-V271 HydrophobicContact CD1-CG1 3.64Å; F179-V271 HydrophobicContact CE1-CG1 3.47Å; F179-V271 VanDerWaalsContact CE1-CG1 3.47Å; F179-V271 HydrophobicContact CZ-CG1 4.3Å; F257-V271 HydrophobicContact CE1-CG1 4.03Å; F257-V271 HydrophobicContact CZ-CG1 4.37Å; M258-V271 HydrophobicContact CE-CB 4.33Å; M258-V271 HydrophobicContact CE-CG1 4.34Å; M258-V271 HydrophobicContact SD-CG1 4.01Å; V261-V271 HydrophobicContact CG1-CG2 3.66Å; C269-V271 PolarHBondContact O-N 2.96Å; V271-C293 PolarHBondContact N-O 3.06Å; V271-T294 VanDerWaalsContact O-CA 3.29Å; V271-T294 WeakPolarHBondContact O-CA 3.3Å; V271-T294 VanDerWaalsContact O-CB 3.24Å; V271-T294 WeakPolarHBondContact O-CB 3.26Å; V271-T294 PolarHBondContact O-OG1 2.63Å
272	Q	98.7	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.1	-178.9	173.7	179.4	-39.5	0	0	110.7	I177 V178 F179 Y206 E274 F295 D297	I177-Q272 PolarHBondContact O-N 2.7Å; V178-Q272 HydrophobicContact CG2-CB 4.08Å; V178-Q272 HydrophobicContact CG2-CG 4.37Å; F179-Q272 WeakPolarHBondContact CD1-O 3.19Å; F179-Q272 PolarHBondContact N-O 2.97Å; Y206-Q272 VanDerWaalsContact CE2-OE1 3.26Å; Y206-Q272 PolarHBondContact OH-OE1 3.19Å; Q272-E274 PolarHBondContact NE2-OE2 2.85Å; Q272-F295 WeakPolarHBondContact CA-O 3.42Å; Q272-F295 HydrophobicContact CB-CE1 4.41Å; Q272-F295 HydrophobicContact CB-CZ 4.23Å; Q272-F295 HydrophobicContact CG-CD2 4.42Å; Q272-F295 HydrophobicContact CG-CE2 3.83Å; Q272-F295 HydrophobicContact CG-CZ 3.88Å; Q272-D297 HydrophobicContact CG-CB 4.21Å
273	F	98.4	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.4	168.7	-71	-105.1	0	0	0	110	F179 M258 F276 L284 Y288 T294 F295 N296 D297	F179-F273 HydrophobicContact CE1-CB 4.31Å; F179-F273 AromaticContact CE1-CD1 3.84Å; F179-F273 HydrophobicContact CE1-CD1 3.84Å; F179-F273 AromaticContact CE1-CD2 3.77Å; F179-F273 HydrophobicContact CE1-CD2 3.77Å; F179-F273 HydrophobicContact CE1-CE1 4.07Å; F179-F273 AromaticContact CE1-CE2 4Å; F179-F273 HydrophobicContact CE1-CE2 4Å; F179-F273 AromaticContact CE1-CG 3.68Å; F179-F273 HydrophobicContact CE1-CG 3.68Å; F179-F273 HydrophobicContact CE1-CZ 4.14Å; F179-F273 HydrophobicContact CE2-CD1 4.28Å; F179-F273 HydrophobicContact CE2-CE1 4.17Å; F179-F273 AromaticContact CZ-CD1 3.43Å; F179-F273 HydrophobicContact CZ-CD1 3.43Å; F179-F273 VanDerWaalsContact CZ-CD1 3.43Å; F179-F273 HydrophobicContact CZ-CD2 4.03Å; F179-F273 AromaticContact CZ-CE1 3.33Å; F179-F273 HydrophobicContact CZ-CE1 3.33Å; F179-F273 AromaticContact CZ-CE2 3.93Å; F179-F273 HydrophobicContact CZ-CE2 3.93Å; F179-F273 AromaticContact CZ-CG 3.79Å; F179-F273 HydrophobicContact CZ-CG 3.79Å; F179-F273 AromaticContact CZ-CZ 3.58Å; F179-F273 HydrophobicContact CZ-CZ 3.58Å; M258-F273 HydrophobicContact CE-CE2 4.45Å; M258-F273 HydrophobicContact SD-CZ 4.34Å; F273-F276 HydrophobicContact CB-CD2 3.96Å; F273-F276 HydrophobicContact CB-CE2 3.87Å; F273-F276 AromaticContact CD1-CD2 3.92Å; F273-F276 HydrophobicContact CD1-CD2 3.92Å; F273-F276 HydrophobicContact CD1-CE1 4.2Å; F273-F276 AromaticContact CD1-CE2 3.53Å; F273-F276 HydrophobicContact CD1-CE2 3.53Å; F273-F276 HydrophobicContact CD1-CG 4.42Å; F273-F276 AromaticContact CD1-CZ 3.7Å; F273-F276 HydrophobicContact CD1-CZ 3.7Å; F273-F276 HydrophobicContact CE1-CZ 4.27Å; F273-F276 HydrophobicContact CG-CD2 4.45Å; F273-F276 HydrophobicContact CG-CE2 4.1Å; F273-L284 HydrophobicContact CD1-CB 4.37Å; F273-L284 HydrophobicContact CD1-CD1 4.47Å; F273-L284 HydrophobicContact CE1-CB 3.66Å; F273-L284 HydrophobicContact CE1-CD1 3.93Å; F273-L284 HydrophobicContact CE1-CG 4.41Å; F273-L284 HydrophobicContact CZ-CB 4.17Å; F273-Y288 AromaticContact CZ-CD2 3.99Å; F273-Y288 HydrophobicContact CZ-CD2 3.99Å; F273-T294 WeakPolarHBondContact CD2-OG1 2.85Å; F273-T294 HydrophobicContact CE2-CG2 4.27Å; F273-T294 WeakPolarHBondContact CE2-OG1 3.32Å; F273-F295 PolarHBondContact N-O 3.42Å; F273-N296 HydrophobicContact CB-CB 4Å; F273-N296 WeakPolarHBondContact CB-ND2 3.32Å; F273-D297 PolarHBondContact O-N 3.03Å; F273-D297 VanDerWaalsContact O-N 3.13Å
274	E	97.3	Very high	95	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.146	C	C	.	.			trans	-143	134.4	-176.5	-171.2	69.7	-152.7	0	0	111.7	V178 F179 T180 I198 K202 Q272 F276 D297	V178-E274 HydrophobicContact CG1-CB 3.79Å; V178-E274 HydrophobicContact CG1-CG 4.17Å; F179-E274 PolarHBondContact O-N 3.4Å; T180-E274 WeakPolarHBondContact CA-O 3.45Å; T180-E274 WeakPolarHBondContact CB-O 3.4Å; T180-E274 PolarHBondContact OG1-O 2.87Å; I198-E274 HydrophobicContact CG2-CG 3.44Å; I198-E274 VanDerWaalsContact CG2-CG 3.44Å; K202-E274 WeakPolarHBondContact CE-OE1 3.49Å; K202-E274 VanDerWaalsContact CE-OE2 3.3Å; K202-E274 WeakPolarHBondContact CE-OE2 3.48Å; K202-E274 HydrophobicContact CG-CG 4.43Å; K202-E274 VanDerWaalsContact NZ-CD 3.25Å; K202-E274 IonicContact NZ-OE1 3.24Å; K202-E274 PolarHBondContact NZ-OE1 3.02Å; K202-E274 IonicContact NZ-OE2 2.64Å; K202-E274 PolarHBondContact NZ-OE2 3.19Å; K202-E274 VanDerWaalsContact NZ-OE2 3.11Å; Q272-E274 PolarHBondContact NE2-OE2 2.85Å; E274-F276 VanDerWaalsContact C-N 3.32Å; E274-F276 WeakPolarHBondContact O-CD2 3.31Å; E274-F276 PolarHBondContact O-N 3.46Å; E274-D297 VanDerWaalsContact OE2-CB 3.26Å; E274-D297 WeakPolarHBondContact OE2-CB 3.32Å
275	D	94.9	Very high	94.9	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.027	14%	0.135	C	C	.	.	S	Bend	trans	54.9	39.8	172.7	-80.7	-9.4	0	0	0	114.2	R184 I185 L186 I198 D298	R184-D275 PolarHBondContact N-O 2.96Å; R184-D275 VanDerWaalsContact N-O 3.09Å; R184-D275 VanDerWaalsContact O-CB 3.24Å; R184-D275 WeakPolarHBondContact O-CB 3.21Å; R184-D275 VanDerWaalsContact O-CG 3.22Å; I185-D275 VanDerWaalsContact CA-OD2 3.28Å; I185-D275 WeakPolarHBondContact CA-OD2 3.37Å; I185-D275 HydrophobicContact CD1-CB 3.74Å; L186-D275 PolarHBondContact N-OD1 3.25Å; L186-D275 PolarHBondContact N-OD2 3.49Å; I198-D275 WeakPolarHBondContact CG1-OD2 3.46Å; D275-D298 VanDerWaalsContact CA-OD2 3.32Å; D275-D298 WeakPolarHBondContact CA-OD2 3.27Å; D275-D298 PolarHBondContact N-OD2 2.89Å
276	F	95.7	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.			trans	-79.8	153.3	172.8	-77.6	-98.6	0	0	0	111.4	F179 D181 R184 F273 E274 A281 L284	F179-F276 HydrophobicContact CD2-CE2 4.37Å; F179-F276 AromaticContact CD2-CZ 3.83Å; F179-F276 HydrophobicContact CD2-CZ 3.83Å; F179-F276 HydrophobicContact CE2-CE1 4.4Å; F179-F276 HydrophobicContact CE2-CE2 4.17Å; F179-F276 AromaticContact CE2-CZ 3.46Å; F179-F276 HydrophobicContact CE2-CZ 3.46Å; F179-F276 VanDerWaalsContact CE2-CZ 3.46Å; F179-F276 HydrophobicContact CZ-CE2 4.29Å; F179-F276 AromaticContact CZ-CZ 3.91Å; F179-F276 HydrophobicContact CZ-CZ 3.91Å; F179-F276 WeakPolarHBondContact O-CE2 3.28Å; D181-F276 HydrophobicContact CB-CD1 4.38Å; D181-F276 HydrophobicContact CB-CE1 3.97Å; R184-F276 WeakPolarHBondContact CB-O 3.33Å; R184-F276 WeakPolarHBondContact CD-O 3.41Å; F273-F276 HydrophobicContact CB-CD2 3.96Å; F273-F276 HydrophobicContact CB-CE2 3.87Å; F273-F276 AromaticContact CD1-CD2 3.92Å; F273-F276 HydrophobicContact CD1-CD2 3.92Å; F273-F276 HydrophobicContact CD1-CE1 4.2Å; F273-F276 AromaticContact CD1-CE2 3.53Å; F273-F276 HydrophobicContact CD1-CE2 3.53Å; F273-F276 HydrophobicContact CD1-CG 4.42Å; F273-F276 AromaticContact CD1-CZ 3.7Å; F273-F276 HydrophobicContact CD1-CZ 3.7Å; F273-F276 HydrophobicContact CE1-CZ 4.27Å; F273-F276 HydrophobicContact CG-CD2 4.45Å; F273-F276 HydrophobicContact CG-CE2 4.1Å; E274-F276 VanDerWaalsContact C-N 3.32Å; E274-F276 WeakPolarHBondContact O-CD2 3.31Å; E274-F276 PolarHBondContact O-N 3.46Å; F276-A281 HydrophobicContact CB-CB 3.97Å; F276-L284 HydrophobicContact CD1-CD1 3.93Å; F276-L284 HydrophobicContact CE1-CD1 3.94Å
277	G	90.8	Very high	94.7	Very high	5 Å²	5	33.5 Å²	33.5	5%	0.052	16%	0.157	C	C	.	.			trans	-70.7	150.1	175.4	0	0	0	0	0	113.3	H279 N280 A281	G277-H279 PolarHBondContact O-N 3.43Å; G277-N280 PolarHBondContact O-N 2.81Å; G277-A281 PolarHBondContact O-N 3.39Å; G277-A281 VanDerWaalsContact O-N 3.16Å
278	N	84.4	Confident	94.8	Very high	94 Å²	94	29.7 Å²	29.7	50%	0.503	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	-32.6	179.4	-78.6	-40.6	0	0	0	115.7	R184 E333	R184-N278 PolarHBondContact NH1-OD1 3.05Å; N278-E333 VanDerWaalsContact CA-CD 3.5Å; N278-E333 WeakPolarHBondContact CA-OE1 3.48Å; N278-E333 PolarHBondContact N-OE1 3.32Å; N278-E333 VanDerWaalsContact N-OE1 3.14Å; N278-E333 WeakPolarHBondContact OD1-CG 3.45Å; N278-E333 PolarHBondContact OD1-N 3.45Å
279	H	85.8	Confident	94.8	Very high	142 Å²	142	29.5 Å²	29.5	66%	0.657	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-25.9	-179.2	-174.2	65.6	0	0	0	113.2	G277	G277-H279 PolarHBondContact O-N 3.43Å
280	N	93	Very high	94.7	Very high	6 Å²	6	35 Å²	35	3%	0.032	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-34.9	-171.1	-76.8	-33.6	0	0	0	113.3	Y250 G277 F282 R283 L284	Y250-N280 VanDerWaalsContact CZ-ND2 3.34Å; Y250-N280 PolarHBondContact OH-ND2 3.49Å; Y250-N280 VanDerWaalsContact OH-ND2 3.16Å; G277-N280 PolarHBondContact O-N 2.81Å; N280-F282 PolarHBondContact O-N 3.04Å; N280-R283 PolarHBondContact O-N 2.8Å; N280-R283 PolarHBondContact OD1-NE 2.67Å; N280-R283 PolarHBondContact OD1-NH2 3.17Å; N280-L284 HydrophobicContact CB-CD1 3.95Å; N280-L284 HydrophobicContact CB-CG 4.33Å; N280-L284 VanDerWaalsContact O-CB 3.3Å; N280-L284 WeakPolarHBondContact O-CB 3.32Å; N280-L284 WeakPolarHBondContact O-CG 3.47Å; N280-L284 PolarHBondContact O-N 3.01Å
281	A	92.4	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-51.2	-168.3	0	0	0	0	0	113.3	F276 G277 L285 I299 E333	F276-A281 HydrophobicContact CB-CB 3.97Å; G277-A281 PolarHBondContact O-N 3.39Å; G277-A281 VanDerWaalsContact O-N 3.16Å; A281-L285 VanDerWaalsContact O-CB 3.26Å; A281-L285 WeakPolarHBondContact O-CB 3.46Å; A281-L285 PolarHBondContact O-N 2.98Å; A281-I299 HydrophobicContact CB-CD1 3.83Å; A281-E333 HydrophobicContact CB-CG 4.02Å; A281-E333 WeakPolarHBondContact CB-OE1 3.36Å; A281-E333 PolarHBondContact N-OE1 3.16Å
282	F	92.1	Very high	94.5	Very high	10 Å²	10	39.5 Å²	39.5	4%	0.044	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-44.4	177.6	-79.7	-68.1	0	0	0	112.2	N280 L284 L285 E286 I299 E333 T336 H381	N280-F282 PolarHBondContact O-N 3.04Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 3.13Å; F282-L285 PolarHBondContact O-N 3.37Å; F282-E286 WeakPolarHBondContact O-CB 3.36Å; F282-E286 WeakPolarHBondContact O-CG 3.46Å; F282-E286 PolarHBondContact O-N 3.49Å; F282-I299 HydrophobicContact CD1-CD1 3.6Å; F282-I299 HydrophobicContact CD1-CG1 4.4Å; F282-I299 HydrophobicContact CD1-CG2 4.35Å; F282-I299 HydrophobicContact CD2-CD1 4.31Å; F282-I299 HydrophobicContact CE1-CB 4.48Å; F282-I299 HydrophobicContact CE1-CD1 3.74Å; F282-I299 HydrophobicContact CE1-CG1 4.05Å; F282-I299 HydrophobicContact CE1-CG2 3.59Å; F282-I299 HydrophobicContact CE2-CD1 4.48Å; F282-I299 HydrophobicContact CG-CD1 3.87Å; F282-I299 HydrophobicContact CZ-CD1 4.17Å; F282-I299 HydrophobicContact CZ-CG1 4.14Å; F282-I299 HydrophobicContact CZ-CG2 4.09Å; F282-E333 HydrophobicContact CD2-CG 4.02Å; F282-E333 HydrophobicContact CE2-CB 4.21Å; F282-E333 HydrophobicContact CE2-CG 4.01Å; F282-T336 HydrophobicContact CE2-CG2 4.07Å; F282-T336 HydrophobicContact CZ-CG2 3.8Å; F282-H381 WeakPolarHBondContact CB-NE2 3.19Å; F282-H381 AromaticContact CD2-CD2 3.64Å; F282-H381 AromaticContact CD2-CG 3.99Å; F282-H381 HydrophobicContact CE2-CB 4.48Å; F282-H381 AromaticContact CG-CD2 3.72Å; F282-H381 AromaticContact CG-CE1 3.99Å; F282-H381 AromaticContact CG-CG 3.97Å; F282-H381 AromaticContact CG-NE2 3.77Å
283	R	93.8	Very high	94.5	Very high	69 Å²	69	39.6 Å²	39.6	26%	0.26	19%	0.192	S	C	.	.	H	α-helix	trans	-57	-44.2	179.9	-175.7	-177.5	69.6	85	-1.6	112	D251 N280 R287	D251-R283 IonicContact OD1-CZ 3.1Å; D251-R283 VanDerWaalsContact OD1-CZ 3.22Å; D251-R283 IonicContact OD1-NH1 3.05Å; D251-R283 PolarHBondContact OD1-NH1 2.8Å; D251-R283 IonicContact OD1-NH2 2.86Å; D251-R283 PolarHBondContact OD1-NH2 2.92Å; D251-R283 IonicContact OD2-NH1 2.68Å; D251-R283 PolarHBondContact OD2-NH1 2.92Å; N280-R283 PolarHBondContact O-N 2.8Å; N280-R283 PolarHBondContact OD1-NE 2.67Å; N280-R283 PolarHBondContact OD1-NH2 3.17Å; R283-R287 WeakPolarHBondContact O-CB 3.42Å; R283-R287 PolarHBondContact O-N 2.94Å
284	L	96.8	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-74.6	-40.4	179.4	-63	176.9	0	0	0	111.3	Y250 I254 F273 F276 N280 F282 E286 R287 Y288	Y250-L284 HydrophobicContact CE1-CD1 4.24Å; I254-L284 HydrophobicContact CG1-CD1 4.46Å; I254-L284 HydrophobicContact CG1-CD2 4.43Å; I254-L284 HydrophobicContact CG2-CD2 4.23Å; F273-L284 HydrophobicContact CD1-CB 4.37Å; F273-L284 HydrophobicContact CD1-CD1 4.47Å; F273-L284 HydrophobicContact CE1-CB 3.66Å; F273-L284 HydrophobicContact CE1-CD1 3.93Å; F273-L284 HydrophobicContact CE1-CG 4.41Å; F273-L284 HydrophobicContact CZ-CB 4.17Å; F276-L284 HydrophobicContact CD1-CD1 3.93Å; F276-L284 HydrophobicContact CE1-CD1 3.94Å; N280-L284 HydrophobicContact CB-CD1 3.95Å; N280-L284 HydrophobicContact CB-CG 4.33Å; N280-L284 VanDerWaalsContact O-CB 3.3Å; N280-L284 WeakPolarHBondContact O-CB 3.32Å; N280-L284 WeakPolarHBondContact O-CG 3.47Å; N280-L284 PolarHBondContact O-N 3.01Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 3.13Å; L284-E286 PolarHBondContact O-N 3.4Å; L284-R287 PolarHBondContact O-N 2.98Å; L284-Y288 HydrophobicContact CB-CD2 4.4Å; L284-Y288 HydrophobicContact CD2-CE2 4.04Å; L284-Y288 WeakPolarHBondContact O-CD2 3.43Å; L284-Y288 PolarHBondContact O-N 2.99Å
285	L	95.9	Very high	94.5	Very high	9 Å²	9	39.6 Å²	39.6	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-49.9	174.6	179	62.7	0	0	0	110.9	A281 F282 R287 Y288 Q289 N296 I299 Q300	A281-L285 VanDerWaalsContact O-CB 3.26Å; A281-L285 WeakPolarHBondContact O-CB 3.46Å; A281-L285 PolarHBondContact O-N 2.98Å; F282-L285 PolarHBondContact O-N 3.37Å; L285-R287 VanDerWaalsContact C-N 3.29Å; L285-R287 PolarHBondContact O-N 2.79Å; L285-Y288 PolarHBondContact O-N 3.25Å; L285-Q289 HydrophobicContact CD1-CB 4.14Å; L285-Q289 VanDerWaalsContact O-CB 3.24Å; L285-Q289 WeakPolarHBondContact O-CB 3.27Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.38Å; L285-Q289 PolarHBondContact O-N 2.8Å; L285-N296 HydrophobicContact CD1-CB 4.27Å; L285-N296 HydrophobicContact CD2-CB 4.18Å; L285-I299 HydrophobicContact CD2-CB 4.47Å; L285-I299 HydrophobicContact CD2-CD1 3.96Å; L285-I299 HydrophobicContact CD2-CG2 4.18Å; L285-Q300 HydrophobicContact CD2-CG 4.28Å
286	E	94.3	Very high	94.6	Very high	103 Å²	103	39.3 Å²	39.3	48%	0.481	19%	0.191	S	C	.	.	H	α-helix	trans	-59.9	-38.5	178.6	-75.3	179.1	176.3	0	0	112.7	F282 L284 H381	F282-E286 WeakPolarHBondContact O-CB 3.36Å; F282-E286 WeakPolarHBondContact O-CG 3.46Å; F282-E286 PolarHBondContact O-N 3.49Å; L284-E286 PolarHBondContact O-N 3.4Å; E286-H381 IonicContact OE1-CE1 3.65Å; E286-H381 PolarHBondContact OE1-CE1 3.04Å; E286-H381 IonicContact OE1-ND1 3.82Å; E286-H381 PolarHBondContact OE1-ND1 3.29Å; E286-H381 IonicContact OE2-CE1 3.14Å
287	R	96.9	Very high	94.7	Very high	107 Å²	107	39.3 Å²	39.3	40%	0.404	19%	0.191	S	C	.	.	H	α-helix	trans	-67.7	-37	178.3	-179	172.8	175	170.6	-4.9	113.2	E255 R283 L284 L285	E255-R287 IonicContact OE2-CZ 3.65Å; E255-R287 IonicContact OE2-NE 3.33Å; E255-R287 PolarHBondContact OE2-NE 3.02Å; E255-R287 IonicContact OE2-NH2 3.92Å; E255-R287 PolarHBondContact OE2-NH2 3.5Å; R283-R287 WeakPolarHBondContact O-CB 3.42Å; R283-R287 PolarHBondContact O-N 2.94Å; L284-R287 PolarHBondContact O-N 2.98Å; L285-R287 VanDerWaalsContact C-N 3.29Å; L285-R287 PolarHBondContact O-N 2.79Å
288	Y	97.9	Very high	94.8	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-111.4	-19.1	-165.3	-66.3	-61.6	0	0	0	115.7	I254 E255 M258 F273 L284 L285 D290 S291 Y292	I254-Y288 HydrophobicContact CG2-CD2 4.33Å; I254-Y288 HydrophobicContact CG2-CE2 3.47Å; I254-Y288 VanDerWaalsContact CG2-CE2 3.47Å; E255-Y288 WeakPolarHBondContact CA-OH 3.41Å; E255-Y288 PolarHBondContact N-OH 3.27Å; E255-Y288 VanDerWaalsContact OE2-CE1 3.23Å; E255-Y288 WeakPolarHBondContact OE2-CE1 3.06Å; E255-Y288 PolarHBondContact OE2-OH 3.36Å; M258-Y288 HydrophobicContact CB-CD1 4.49Å; M258-Y288 HydrophobicContact CB-CE1 4.34Å; M258-Y288 HydrophobicContact CE-CG 4.4Å; M258-Y288 HydrophobicContact CG-CD1 4.17Å; M258-Y288 HydrophobicContact CG-CD2 4.44Å; M258-Y288 HydrophobicContact CG-CE1 4.11Å; M258-Y288 HydrophobicContact CG-CE2 4.41Å; M258-Y288 HydrophobicContact CG-CG 4.34Å; F273-Y288 AromaticContact CZ-CD2 3.99Å; F273-Y288 HydrophobicContact CZ-CD2 3.99Å; L284-Y288 HydrophobicContact CB-CD2 4.4Å; L284-Y288 HydrophobicContact CD2-CE2 4.04Å; L284-Y288 WeakPolarHBondContact O-CD2 3.43Å; L284-Y288 PolarHBondContact O-N 2.99Å; L285-Y288 PolarHBondContact O-N 3.25Å; Y288-D290 VanDerWaalsContact C-N 3.27Å; Y288-D290 PolarHBondContact O-N 2.76Å; Y288-S291 PolarHBondContact O-N 3.11Å; Y288-S291 VanDerWaalsContact O-N 3.07Å; Y288-Y292 AromaticContact CD1-CD2 3.6Å; Y288-Y292 HydrophobicContact CD1-CD2 3.6Å; Y288-Y292 AromaticContact CD1-CE2 3.56Å; Y288-Y292 HydrophobicContact CD1-CE2 3.56Å; Y288-Y292 HydrophobicContact CE1-CD2 4.48Å; Y288-Y292 HydrophobicContact CE1-CE2 4.03Å; Y288-Y292 HydrophobicContact CG-CD2 4.29Å; Y288-Y292 PolarHBondContact O-N 2.69Å
289	Q	96.4	Very high	95.2	Very high	55 Å²	55	35.8 Å²	35.8	26%	0.257	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.4	-173.3	63.7	-174.1	-34.1	0	0	114.9	L285	L285-Q289 HydrophobicContact CD1-CB 4.14Å; L285-Q289 VanDerWaalsContact O-CB 3.24Å; L285-Q289 WeakPolarHBondContact O-CB 3.27Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.38Å; L285-Q289 PolarHBondContact O-N 2.8Å
290	D	95.7	Very high	95.7	Very high	122 Å²	122	29.1 Å²	29.1	65%	0.652	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-22.4	-179.5	-64	-42.3	0	0	0	112.9	Y288	Y288-D290 VanDerWaalsContact C-N 3.27Å; Y288-D290 PolarHBondContact O-N 2.76Å
291	S	95.8	Very high	95.9	Very high	67 Å²	67	28.8 Å²	28.8	47%	0.469	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-17.6	-172.7	-64.2	0	0	0	0	113.6	Y288 R506	Y288-S291 PolarHBondContact O-N 3.11Å; Y288-S291 VanDerWaalsContact O-N 3.07Å; S291-R506 VanDerWaalsContact O-CZ 3.29Å; S291-R506 PolarHBondContact O-NH2 2.67Å
292	Y	97.8	Very high	96	Very high	31 Å²	31	29.7 Å²	29.7	12%	0.122	14%	0.144	C	C	.	.	S	Bend	trans	-135.4	157.6	-177.4	-65.1	-88	0	0	0	111.2	M258 A262 Y288 T294	M258-Y292 HydrophobicContact CB-CD1 4.22Å; M258-Y292 HydrophobicContact CB-CD2 4.35Å; M258-Y292 HydrophobicContact CB-CE1 3.84Å; M258-Y292 HydrophobicContact CB-CE2 3.98Å; M258-Y292 HydrophobicContact CB-CG 4.46Å; M258-Y292 HydrophobicContact CE-CD1 4.04Å; M258-Y292 HydrophobicContact CE-CD2 3.99Å; M258-Y292 HydrophobicContact CE-CG 3.59Å; M258-Y292 VanDerWaalsContact O-CE1 3.25Å; M258-Y292 WeakPolarHBondContact O-CE1 3.41Å; A262-Y292 HydrophobicContact CB-CD1 4.07Å; A262-Y292 HydrophobicContact CB-CE1 3.79Å; Y288-Y292 AromaticContact CD1-CD2 3.6Å; Y288-Y292 HydrophobicContact CD1-CD2 3.6Å; Y288-Y292 AromaticContact CD1-CE2 3.56Å; Y288-Y292 HydrophobicContact CD1-CE2 3.56Å; Y288-Y292 HydrophobicContact CE1-CD2 4.48Å; Y288-Y292 HydrophobicContact CE1-CE2 4.03Å; Y288-Y292 HydrophobicContact CG-CD2 4.29Å; Y288-Y292 PolarHBondContact O-N 2.69Å; Y292-T294 VanDerWaalsContact C-N 3.34Å; Y292-T294 PolarHBondContact O-N 3.31Å
293	C	98.3	Very high	96.2	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	14%	0.142	C	C	.	.	S	Bend	trans	-78.3	86.9	172.2	-175.8	0	0	0	0	108.5	C269 L270 V271 I500 I505	C269-C293 WeakPolarHBondContact O-CB 3.01Å; L270-C293 CarbonylContact C-O 3.52Å; L270-C293 WeakPolarHBondContact CA-O 3.35Å; V271-C293 PolarHBondContact N-O 3.06Å; C293-I500 WeakPolarHBondContact SG-CG2 3.25Å; C293-I505 PolarHBondContact SG-O 2.9Å
294	T	98.4	Very high	96.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.2	-170.8	-172.5	0	0	0	0	112.6	V271 F273 Y292 V508	V271-T294 VanDerWaalsContact O-CA 3.29Å; V271-T294 WeakPolarHBondContact O-CA 3.3Å; V271-T294 VanDerWaalsContact O-CB 3.24Å; V271-T294 WeakPolarHBondContact O-CB 3.26Å; V271-T294 PolarHBondContact O-OG1 2.63Å; F273-T294 WeakPolarHBondContact CD2-OG1 2.85Å; F273-T294 HydrophobicContact CE2-CG2 4.27Å; F273-T294 WeakPolarHBondContact CE2-OG1 3.32Å; Y292-T294 VanDerWaalsContact C-N 3.34Å; Y292-T294 PolarHBondContact O-N 3.31Å; T294-V508 WeakPolarHBondContact O-CB 3.35Å
295	F	98.2	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	165.5	167	73.5	-98.1	0	0	0	108.9	L270 Q272 F273 D297 Q300 F493 I500 V508 F513	L270-F295 HydrophobicContact CD1-CD1 3.52Å; L270-F295 HydrophobicContact CD1-CE1 3.57Å; L270-F295 HydrophobicContact CD2-CE1 3.95Å; L270-F295 HydrophobicContact CG-CE1 4.29Å; Q272-F295 WeakPolarHBondContact CA-O 3.42Å; Q272-F295 HydrophobicContact CB-CE1 4.41Å; Q272-F295 HydrophobicContact CB-CZ 4.23Å; Q272-F295 HydrophobicContact CG-CD2 4.42Å; Q272-F295 HydrophobicContact CG-CE2 3.83Å; Q272-F295 HydrophobicContact CG-CZ 3.88Å; F273-F295 PolarHBondContact N-O 3.42Å; F295-D297 HydrophobicContact CE2-CB 4Å; F295-Q300 VanDerWaalsContact CA-OE1 3.23Å; F295-F493 HydrophobicContact CE2-CB 4.48Å; F295-F493 HydrophobicContact CZ-CB 4.2Å; F295-I500 HydrophobicContact CD1-CD1 4.2Å; F295-I500 HydrophobicContact CE1-CD1 4.25Å; F295-V508 HydrophobicContact CB-CG1 4.15Å; F295-V508 HydrophobicContact CD1-CG1 4.42Å; F295-F513 HydrophobicContact CB-CE2 4.22Å; F295-F513 HydrophobicContact CB-CZ 3.72Å; F295-F513 HydrophobicContact CD1-CZ 4.31Å; F295-F513 HydrophobicContact CD2-CE1 4.16Å; F295-F513 AromaticContact CD2-CZ 3.78Å; F295-F513 HydrophobicContact CD2-CZ 3.78Å; F295-F513 HydrophobicContact CE2-CE1 4.48Å; F295-F513 HydrophobicContact CE2-CZ 4.46Å; F295-F513 HydrophobicContact CG-CE1 4.49Å; F295-F513 AromaticContact CG-CZ 3.72Å; F295-F513 HydrophobicContact CG-CZ 3.72Å
296	N	97.5	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.7	172.7	-176.8	-63.7	0	0	0	110.3	F273 L285 D298 I299 Q300	F273-N296 HydrophobicContact CB-CB 4Å; F273-N296 WeakPolarHBondContact CB-ND2 3.32Å; L285-N296 HydrophobicContact CD1-CB 4.27Å; L285-N296 HydrophobicContact CD2-CB 4.18Å; N296-D298 WeakPolarHBondContact OD1-CB 3.38Å; N296-D298 PolarHBondContact OD1-N 3.24Å; N296-I299 HydrophobicContact CB-CB 4.21Å; N296-I299 HydrophobicContact CB-CD1 4.08Å; N296-I299 HydrophobicContact CB-CG1 4.37Å; N296-I299 PolarHBondContact O-N 3.4Å; N296-I299 PolarHBondContact OD1-N 3.23Å; N296-Q300 WeakPolarHBondContact O-CB 3.2Å; N296-Q300 PolarHBondContact O-N 2.86Å
297	D	96.1	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-73.3	-33.1	-174.9	-164.4	55.2	0	0	0	113	K202 Q272 F273 E274 F295 I299 G301 T302 N489 F493	K202-D297 IonicContact NZ-OD2 2.67Å; K202-D297 PolarHBondContact NZ-OD2 3.09Å; Q272-D297 HydrophobicContact CG-CB 4.21Å; F273-D297 PolarHBondContact O-N 3.03Å; F273-D297 VanDerWaalsContact O-N 3.13Å; E274-D297 VanDerWaalsContact OE2-CB 3.26Å; E274-D297 WeakPolarHBondContact OE2-CB 3.32Å; F295-D297 HydrophobicContact CE2-CB 4Å; D297-I299 VanDerWaalsContact C-N 3.26Å; D297-I299 PolarHBondContact O-N 3.08Å; D297-G301 CarbonylContact O-C 3.6Å; D297-G301 WeakPolarHBondContact O-CA 3.31Å; D297-G301 PolarHBondContact O-N 3.43Å; D297-G301 WeakPolarHBondContact OD1-CA 3.49Å; D297-T302 PolarHBondContact O-N 3.42Å; D297-T302 PolarHBondContact O-OG1 3.14Å; D297-N489 PolarHBondContact O-ND2 3.35Å; D297-N489 WeakPolarHBondContact OD2-CB 3.4Å; D297-N489 PolarHBondContact OD2-ND2 3.23Å; D297-F493 VanDerWaalsContact OD1-CB 3.31Å; D297-F493 WeakPolarHBondContact OD1-CB 3.31Å
298	D	92.7	Very high	96.9	Very high	24 Å²	24	15.5 Å²	15.5	13%	0.128	9%	0.085	C	C	.	.	I	π-helix	trans	-68	-29.4	177.9	-68.1	-51	0	0	0	112.6	D275 N296 T302	D275-D298 VanDerWaalsContact CA-OD2 3.32Å; D275-D298 WeakPolarHBondContact CA-OD2 3.27Å; D275-D298 PolarHBondContact N-OD2 2.89Å; N296-D298 WeakPolarHBondContact OD1-CB 3.38Å; N296-D298 PolarHBondContact OD1-N 3.24Å; D298-T302 WeakPolarHBondContact CA-OG1 3.19Å; D298-T302 WeakPolarHBondContact O-CB 3.35Å; D298-T302 PolarHBondContact O-OG1 3.41Å
299	I	93.5	Very high	96.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.084	C	C	.	.	I	π-helix	trans	-88.7	-63.5	175.9	-62.7	168	0	0	0	109.9	A281 F282 L285 N296 D297 A303 E333	A281-I299 HydrophobicContact CB-CD1 3.83Å; F282-I299 HydrophobicContact CD1-CD1 3.6Å; F282-I299 HydrophobicContact CD1-CG1 4.4Å; F282-I299 HydrophobicContact CD1-CG2 4.35Å; F282-I299 HydrophobicContact CD2-CD1 4.31Å; F282-I299 HydrophobicContact CE1-CB 4.48Å; F282-I299 HydrophobicContact CE1-CD1 3.74Å; F282-I299 HydrophobicContact CE1-CG1 4.05Å; F282-I299 HydrophobicContact CE1-CG2 3.59Å; F282-I299 HydrophobicContact CE2-CD1 4.48Å; F282-I299 HydrophobicContact CG-CD1 3.87Å; F282-I299 HydrophobicContact CZ-CD1 4.17Å; F282-I299 HydrophobicContact CZ-CG1 4.14Å; F282-I299 HydrophobicContact CZ-CG2 4.09Å; L285-I299 HydrophobicContact CD2-CB 4.47Å; L285-I299 HydrophobicContact CD2-CD1 3.96Å; L285-I299 HydrophobicContact CD2-CG2 4.18Å; N296-I299 HydrophobicContact CB-CB 4.21Å; N296-I299 HydrophobicContact CB-CD1 4.08Å; N296-I299 HydrophobicContact CB-CG1 4.37Å; N296-I299 PolarHBondContact O-N 3.4Å; N296-I299 PolarHBondContact OD1-N 3.23Å; D297-I299 VanDerWaalsContact C-N 3.26Å; D297-I299 PolarHBondContact O-N 3.08Å; I299-A303 WeakPolarHBondContact O-CB 3.38Å; I299-A303 PolarHBondContact O-N 3.48Å; I299-E333 HydrophobicContact CG1-CB 4.16Å
300	Q	96.3	Very high	97	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.073	C	C	.	.	I	π-helix	trans	-88.2	-39.1	-166.2	-58.3	171.9	-81.9	0	0	112.2	L285 F295 N296 A303 A304 F513	L285-Q300 HydrophobicContact CD2-CG 4.28Å; F295-Q300 VanDerWaalsContact CA-OE1 3.23Å; N296-Q300 WeakPolarHBondContact O-CB 3.2Å; N296-Q300 PolarHBondContact O-N 2.86Å; Q300-A303 PolarHBondContact O-N 2.9Å; Q300-A304 WeakPolarHBondContact O-CB 3.47Å; Q300-A304 PolarHBondContact O-N 3.46Å; Q300-F513 HydrophobicContact CB-CD1 3.91Å; Q300-F513 HydrophobicContact CB-CD2 3.89Å; Q300-F513 HydrophobicContact CB-CE1 3.73Å; Q300-F513 HydrophobicContact CB-CE2 3.71Å; Q300-F513 HydrophobicContact CB-CG 3.99Å; Q300-F513 HydrophobicContact CB-CZ 3.63Å; Q300-F513 HydrophobicContact CG-CD2 4.49Å; Q300-F513 HydrophobicContact CG-CE2 4.24Å; Q300-F513 WeakPolarHBondContact O-CD1 3.35Å
301	G	96.4	Very high	97.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-66.6	-49.5	176.2	0	0	0	0	0	112.6	D297 A303 A304 V305	D297-G301 CarbonylContact O-C 3.6Å; D297-G301 WeakPolarHBondContact O-CA 3.31Å; D297-G301 PolarHBondContact O-N 3.43Å; D297-G301 WeakPolarHBondContact OD1-CA 3.49Å; G301-A303 VanDerWaalsContact C-N 3.29Å; G301-A303 PolarHBondContact O-N 3.19Å; G301-A304 PolarHBondContact O-N 2.91Å; G301-V305 PolarHBondContact O-N 3.32Å; G301-V305 VanDerWaalsContact O-N 3.09Å
302	T	95.2	Very high	97.2	Very high	18 Å²	18	5.7 Å²	5.7	11%	0.11	3%	0.029	C	C	.	.	H	α-helix	trans	-59.1	-41.3	174.2	-51.4	0	0	0	0	111.6	D297 D298 V305 T306 A334 I338 N489	D297-T302 PolarHBondContact O-N 3.42Å; D297-T302 PolarHBondContact O-OG1 3.14Å; D298-T302 WeakPolarHBondContact CA-OG1 3.19Å; D298-T302 WeakPolarHBondContact O-CB 3.35Å; D298-T302 PolarHBondContact O-OG1 3.41Å; T302-V305 VanDerWaalsContact O-CG1 3.31Å; T302-V305 WeakPolarHBondContact O-CG1 3.45Å; T302-T306 WeakPolarHBondContact O-CB 3.42Å; T302-T306 PolarHBondContact O-N 3.24Å; T302-T306 VanDerWaalsContact O-N 3.08Å; T302-T306 PolarHBondContact O-OG1 3.2Å; T302-A334 HydrophobicContact CG2-CB 4.17Å; T302-I338 HydrophobicContact CG2-CD1 4.1Å; T302-I338 HydrophobicContact CG2-CG1 4.28Å; T302-N489 WeakPolarHBondContact CA-OD1 3.29Å; T302-N489 PolarHBondContact OG1-ND2 3Å; T302-N489 PolarHBondContact OG1-OD1 3.48Å
303	A	97	Very high	97.2	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.8	-49.9	175.4	0	0	0	0	0	112	I299 Q300 G301 V305 T306 V307 G337 I338 L341	I299-A303 WeakPolarHBondContact O-CB 3.38Å; I299-A303 PolarHBondContact O-N 3.48Å; Q300-A303 PolarHBondContact O-N 2.9Å; G301-A303 VanDerWaalsContact C-N 3.29Å; G301-A303 PolarHBondContact O-N 3.19Å; A303-V305 PolarHBondContact O-N 3.33Å; A303-T306 PolarHBondContact O-N 3.1Å; A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 3.12Å; A303-G337 VanDerWaalsContact CB-O 3.31Å; A303-G337 WeakPolarHBondContact CB-O 3.41Å; A303-I338 HydrophobicContact CB-CG1 4.35Å; A303-L341 HydrophobicContact CB-CB 3.64Å; A303-L341 HydrophobicContact CB-CD2 3.63Å; A303-L341 HydrophobicContact CB-CG 4.26Å
304	A	98.4	Very high	97.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.7	-46.4	-177.5	0	0	0	0	0	112.6	Q300 G301 T306 V307 A308 L341 I492 F513 A517	Q300-A304 WeakPolarHBondContact O-CB 3.47Å; Q300-A304 PolarHBondContact O-N 3.46Å; G301-A304 PolarHBondContact O-N 2.91Å; A304-T306 VanDerWaalsContact C-N 3.28Å; A304-T306 PolarHBondContact O-N 3.04Å; A304-V307 PolarHBondContact O-N 2.92Å; A304-A308 WeakPolarHBondContact O-CB 3.36Å; A304-A308 PolarHBondContact O-N 2.94Å; A304-L341 HydrophobicContact CB-CD2 4.04Å; A304-L341 VanDerWaalsContact N-CD2 3.27Å; A304-I492 HydrophobicContact CB-CB 4.34Å; A304-I492 HydrophobicContact CB-CD1 3.82Å; A304-I492 HydrophobicContact CB-CG1 3.78Å; A304-I492 HydrophobicContact CB-CG2 3.74Å; A304-F513 HydrophobicContact CB-CB 4.03Å; A304-F513 HydrophobicContact CB-CD1 4.13Å; A304-F513 WeakPolarHBondContact CB-O 3.25Å; A304-A517 HydrophobicContact CB-CB 4.43Å; A304-A517 WeakPolarHBondContact O-CB 3.04Å
305	V	98.2	Very high	97.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66.3	-35	178.9	65.6	0	0	0	0	111.2	G301 T302 A303 A308 G309 N488 I492 L520 F535	G301-V305 PolarHBondContact O-N 3.32Å; G301-V305 VanDerWaalsContact O-N 3.09Å; T302-V305 VanDerWaalsContact O-CG1 3.31Å; T302-V305 WeakPolarHBondContact O-CG1 3.45Å; A303-V305 PolarHBondContact O-N 3.33Å; V305-A308 PolarHBondContact O-N 3.03Å; V305-G309 PolarHBondContact O-N 2.89Å; V305-N488 WeakPolarHBondContact CG2-O 3.49Å; V305-I492 HydrophobicContact CB-CG1 3.85Å; V305-L520 HydrophobicContact CG2-CD2 4.29Å; V305-F535 HydrophobicContact CG2-CD1 4.34Å; V305-F535 HydrophobicContact CG2-CE1 3.61Å; V305-F535 HydrophobicContact CG2-CZ 3.87Å; V305-F535 VanDerWaalsContact O-CE1 3.28Å; V305-F535 WeakPolarHBondContact O-CE1 3.38Å; V305-F535 WeakPolarHBondContact O-CZ 3.41Å
306	T	98.3	Very high	97	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.7	-47.9	177.3	-57	0	0	0	0	111.1	T302 A303 A304 A308 G309 L310 I338 I409 F436 L438	T302-T306 WeakPolarHBondContact O-CB 3.42Å; T302-T306 PolarHBondContact O-N 3.24Å; T302-T306 VanDerWaalsContact O-N 3.08Å; T302-T306 PolarHBondContact O-OG1 3.2Å; A303-T306 PolarHBondContact O-N 3.1Å; A304-T306 VanDerWaalsContact C-N 3.28Å; A304-T306 PolarHBondContact O-N 3.04Å; T306-A308 VanDerWaalsContact C-N 3.29Å; T306-A308 PolarHBondContact O-N 3Å; T306-G309 PolarHBondContact O-N 2.92Å; T306-G309 VanDerWaalsContact O-N 3.13Å; T306-L310 HydrophobicContact CG2-CD1 4.48Å; T306-L310 WeakPolarHBondContact O-CG 3.35Å; T306-L310 PolarHBondContact O-N 3.4Å; T306-I338 HydrophobicContact CG2-CD1 4.13Å; T306-I338 HydrophobicContact CG2-CG1 4.24Å; T306-I338 HydrophobicContact CG2-CG2 3.52Å; T306-I409 HydrophobicContact CG2-CD1 4.39Å; T306-F436 HydrophobicContact CG2-CD2 3.98Å; T306-F436 HydrophobicContact CG2-CE2 4.31Å; T306-L438 HydrophobicContact CG2-CD1 4.04Å
307	V	98.2	Very high	97	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.3	-40	176	172.3	0	0	0	0	111.1	A303 A304 G309 L310 L311 L341 L342 A517	A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 3.12Å; A304-V307 PolarHBondContact O-N 2.92Å; V307-G309 VanDerWaalsContact C-N 3.34Å; V307-G309 PolarHBondContact O-N 3.01Å; V307-L310 WeakPolarHBondContact O-CB 3.49Å; V307-L310 PolarHBondContact O-N 3Å; V307-L310 VanDerWaalsContact O-N 3.16Å; V307-L311 HydrophobicContact CG1-CD1 4.09Å; V307-L311 HydrophobicContact CG1-CG 4.38Å; V307-L311 WeakPolarHBondContact O-CG 3.39Å; V307-L311 PolarHBondContact O-N 2.95Å; V307-L341 HydrophobicContact CB-CD2 4.37Å; V307-L341 HydrophobicContact CG2-CB 4.37Å; V307-L341 HydrophobicContact CG2-CD2 4.01Å; V307-L341 HydrophobicContact CG2-CG 4.26Å; V307-L342 HydrophobicContact CG2-CB 4.25Å; V307-A517 HydrophobicContact CB-CB 4.12Å; V307-A517 HydrophobicContact CG1-CB 4.02Å
308	A	98.5	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59	-45.3	174.1	0	0	0	0	0	112.1	A304 V305 T306 L310 L311 A312 A517 L520 A521 F535	A304-A308 WeakPolarHBondContact O-CB 3.36Å; A304-A308 PolarHBondContact O-N 2.94Å; V305-A308 PolarHBondContact O-N 3.03Å; T306-A308 VanDerWaalsContact C-N 3.29Å; T306-A308 PolarHBondContact O-N 3Å; A308-L310 VanDerWaalsContact C-N 3.32Å; A308-L310 PolarHBondContact O-N 2.91Å; A308-L311 PolarHBondContact O-N 3.38Å; A308-A312 WeakPolarHBondContact O-CB 3.43Å; A308-A312 PolarHBondContact O-N 2.91Å; A308-A517 HydrophobicContact CB-CB 4.11Å; A308-A517 VanDerWaalsContact CB-O 3.28Å; A308-A517 WeakPolarHBondContact CB-O 3.26Å; A308-L520 HydrophobicContact CB-CB 3.88Å; A308-L520 HydrophobicContact CB-CD2 3.59Å; A308-L520 HydrophobicContact CB-CG 3.81Å; A308-A521 WeakPolarHBondContact O-CB 3.28Å; A308-F535 HydrophobicContact CB-CE1 4.37Å
309	G	98.3	Very high	97.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.9	-40.2	175.1	0	0	0	0	0	112.3	V305 T306 V307 A312 A313	V305-G309 PolarHBondContact O-N 2.89Å; T306-G309 PolarHBondContact O-N 2.92Å; T306-G309 VanDerWaalsContact O-N 3.13Å; V307-G309 VanDerWaalsContact C-N 3.34Å; V307-G309 PolarHBondContact O-N 3.01Å; G309-A312 PolarHBondContact O-N 2.6Å; G309-A313 WeakPolarHBondContact O-CB 3.41Å; G309-A313 PolarHBondContact O-N 2.73Å
310	L	98.3	Very high	97.3	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-42.8	176.7	-66.4	173.8	0	0	0	112	T306 V307 A308 A313 G314 L321 Y326 L342 V407 I409 I434 F436	T306-L310 HydrophobicContact CG2-CD1 4.48Å; T306-L310 WeakPolarHBondContact O-CG 3.35Å; T306-L310 PolarHBondContact O-N 3.4Å; V307-L310 WeakPolarHBondContact O-CB 3.49Å; V307-L310 PolarHBondContact O-N 3Å; V307-L310 VanDerWaalsContact O-N 3.16Å; A308-L310 VanDerWaalsContact C-N 3.32Å; A308-L310 PolarHBondContact O-N 2.91Å; L310-A313 PolarHBondContact O-N 2.95Å; L310-G314 PolarHBondContact O-N 3.11Å; L310-L321 HydrophobicContact CB-CD1 4.05Å; L310-Y326 HydrophobicContact CD1-CD1 4.42Å; L310-Y326 HydrophobicContact CD1-CE1 3.96Å; L310-Y326 HydrophobicContact CD2-CE1 4.35Å; L310-L342 HydrophobicContact CD1-CD1 4.07Å; L310-L342 HydrophobicContact CD1-CD2 4.34Å; L310-V407 HydrophobicContact CD2-CG1 3.6Å; L310-I409 HydrophobicContact CD1-CD1 4.09Å; L310-I409 HydrophobicContact CD2-CD1 4.32Å; L310-I434 HydrophobicContact CD2-CG2 4.11Å; L310-F436 HydrophobicContact CD2-CD2 4.14Å; L310-F436 HydrophobicContact CD2-CE2 3.71Å; L310-F436 HydrophobicContact CD2-CZ 4.13Å; L310-F436 HydrophobicContact CG-CE2 3.92Å
311	L	98	Very high	97.3	Very high	38 Å²	38	27.3 Å²	27.3	20%	0.199	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-46.3	175.7	-71.5	169.5	0	0	0	111.3	V307 A308 G314 L321 E518 A521	V307-L311 HydrophobicContact CG1-CD1 4.09Å; V307-L311 HydrophobicContact CG1-CG 4.38Å; V307-L311 WeakPolarHBondContact O-CG 3.39Å; V307-L311 PolarHBondContact O-N 2.95Å; A308-L311 PolarHBondContact O-N 3.38Å; L311-G314 PolarHBondContact O-N 3.13Å; L311-L321 HydrophobicContact CD2-CB 4.41Å; L311-L321 HydrophobicContact CD2-CD1 4.22Å; L311-L321 HydrophobicContact CD2-CD2 4.17Å; L311-E518 HydrophobicContact CD1-CG 3.92Å; L311-A521 HydrophobicContact CB-CB 3.52Å; L311-A521 HydrophobicContact CD1-CB 4.17Å
312	A	98	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-40.3	175.4	0	0	0	0	0	112.1	A308 G309 G314 R315 I316 A521 V524 V534	A308-A312 WeakPolarHBondContact O-CB 3.43Å; A308-A312 PolarHBondContact O-N 2.91Å; G309-A312 PolarHBondContact O-N 2.6Å; A312-G314 PolarHBondContact O-N 3.02Å; A312-R315 WeakPolarHBondContact O-CB 3.35Å; A312-R315 PolarHBondContact O-N 2.99Å; A312-I316 PolarHBondContact O-N 3.26Å; A312-A521 HydrophobicContact CB-CB 4.48Å; A312-V524 HydrophobicContact CB-CG2 4.04Å; A312-V534 HydrophobicContact CB-CB 3.99Å; A312-V534 VanDerWaalsContact CB-O 3.29Å; A312-V534 WeakPolarHBondContact CB-O 3.29Å
313	A	97.9	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-30.2	173.7	0	0	0	0	0	112.4	G309 L310 R315 I316 T317 I434 V461 V534	G309-A313 WeakPolarHBondContact O-CB 3.41Å; G309-A313 PolarHBondContact O-N 2.73Å; L310-A313 PolarHBondContact O-N 2.95Å; A313-R315 VanDerWaalsContact C-N 3.27Å; A313-R315 PolarHBondContact O-N 3.09Å; A313-I316 WeakPolarHBondContact O-CB 3.38Å; A313-I316 PolarHBondContact O-N 2.88Å; A313-I316 VanDerWaalsContact O-N 3.15Å; A313-T317 WeakPolarHBondContact O-CG2 3.19Å; A313-T317 PolarHBondContact O-N 3.02Å; A313-T317 PolarHBondContact O-OG1 3.15Å; A313-I434 HydrophobicContact CB-CD1 3.53Å; A313-I434 HydrophobicContact CB-CG1 3.98Å; A313-I434 HydrophobicContact CB-CG2 4.23Å; A313-V461 HydrophobicContact CB-CB 4.4Å; A313-V461 HydrophobicContact CB-CG1 3.82Å; A313-V534 HydrophobicContact CB-CG1 4.04Å
314	G	97.3	Very high	97.4	Very high	11 Å²	11	32 Å²	32	11%	0.113	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-36.7	171	0	0	0	0	0	113.1	L310 L311 A312 I316 T317 K318 R319	L310-G314 PolarHBondContact O-N 3.11Å; L311-G314 PolarHBondContact O-N 3.13Å; A312-G314 PolarHBondContact O-N 3.02Å; G314-I316 VanDerWaalsContact C-N 3.33Å; G314-I316 PolarHBondContact O-N 3.3Å; G314-T317 WeakPolarHBondContact CA-OG1 3.49Å; G314-T317 PolarHBondContact O-OG1 2.9Å; G314-K318 VanDerWaalsContact O-CA 3.24Å; G314-K318 WeakPolarHBondContact O-CA 3.33Å; G314-K318 PolarHBondContact O-N 2.71Å; G314-R319 VanDerWaalsContact CA-O 3.31Å; G314-R319 WeakPolarHBondContact CA-O 3.47Å; G314-R319 PolarHBondContact O-N 3.32Å
315	R	97.3	Very high	97.4	Very high	74 Å²	74	34.5 Å²	34.5	28%	0.279	16%	0.162	S	C	.	.	H	α-helix	trans	-69.5	-30.4	176.1	-65.2	167.6	57.7	-163.5	-5.3	112.6	A312 A313 K318 A521 V524 E526 L529	A312-R315 WeakPolarHBondContact O-CB 3.35Å; A312-R315 PolarHBondContact O-N 2.99Å; A313-R315 VanDerWaalsContact C-N 3.27Å; A313-R315 PolarHBondContact O-N 3.09Å; R315-K318 VanDerWaalsContact O-CD 3.31Å; R315-K318 WeakPolarHBondContact O-CD 3.45Å; R315-K318 VanDerWaalsContact O-CE 3.23Å; R315-K318 WeakPolarHBondContact O-CE 3.34Å; R315-K318 PolarHBondContact O-NZ 3.21Å; R315-A521 PolarHBondContact NH1-O 2.87Å; R315-V524 VanDerWaalsContact CZ-O 3.26Å; R315-V524 PolarHBondContact NH1-O 3.4Å; R315-V524 PolarHBondContact NH2-O 2.89Å; R315-E526 IonicContact CZ-OE1 3.91Å; R315-E526 IonicContact NE-OE1 3.35Å; R315-E526 IonicContact NH2-OE1 2.72Å; R315-E526 PolarHBondContact NH2-OE1 2.72Å; R315-L529 HydrophobicContact CB-CD1 3.74Å
316	I	96.4	Very high	97.4	Very high	17 Å²	17	34.5 Å²	34.5	9%	0.087	16%	0.162	C	C	.	.	H	α-helix	trans	-73.6	-60.7	173.8	-61.7	178.5	0	0	0	108.5	A312 A313 G314 K318 R432 V461 L529 V534	A312-I316 PolarHBondContact O-N 3.26Å; A313-I316 WeakPolarHBondContact O-CB 3.38Å; A313-I316 PolarHBondContact O-N 2.88Å; A313-I316 VanDerWaalsContact O-N 3.15Å; G314-I316 VanDerWaalsContact C-N 3.33Å; G314-I316 PolarHBondContact O-N 3.3Å; I316-K318 PolarHBondContact O-N 2.95Å; I316-R432 VanDerWaalsContact O-CZ 3.23Å; I316-R432 PolarHBondContact O-NH2 3.28Å; I316-V461 HydrophobicContact CB-CG2 3.99Å; I316-V461 HydrophobicContact CD1-CG1 3.97Å; I316-V461 HydrophobicContact CD1-CG2 4.42Å; I316-V461 HydrophobicContact CG2-CG2 3.48Å; I316-V461 VanDerWaalsContact CG2-CG2 3.48Å; I316-L529 HydrophobicContact CD1-CB 4.26Å; I316-L529 HydrophobicContact CD1-CD2 3.9Å; I316-L529 HydrophobicContact CG1-CB 3.97Å; I316-L529 HydrophobicContact CG1-CD1 4.38Å; I316-L529 HydrophobicContact CG1-CD2 3.86Å; I316-L529 HydrophobicContact CG1-CG 4.29Å; I316-V534 HydrophobicContact CD1-CG1 3.95Å
317	T	97.1	Very high	97.5	Very high	15 Å²	15	34.5 Å²	34.5	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-68.5	-13	-175.3	60	0	0	0	0	114.6	A313 G314 R319 R432 I434 V461	A313-T317 WeakPolarHBondContact O-CG2 3.19Å; A313-T317 PolarHBondContact O-N 3.02Å; A313-T317 PolarHBondContact O-OG1 3.15Å; G314-T317 WeakPolarHBondContact CA-OG1 3.49Å; G314-T317 PolarHBondContact O-OG1 2.9Å; T317-R319 PolarHBondContact O-N 2.9Å; T317-R432 HydrophobicContact CG2-CB 3.92Å; T317-R432 WeakPolarHBondContact CG2-O 3.34Å; T317-I434 HydrophobicContact CG2-CD1 4.15Å; T317-I434 HydrophobicContact CG2-CG1 3.87Å; T317-V461 HydrophobicContact CG2-CG2 3.74Å
318	K	96	Very high	97.5	Very high	158 Å²	158	34.6 Å²	34.6	69%	0.687	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	35.8	-173.5	-51.1	-58.4	178.9	-165.2	0	112.6	G314 R315 I316	G314-K318 VanDerWaalsContact O-CA 3.24Å; G314-K318 WeakPolarHBondContact O-CA 3.33Å; G314-K318 PolarHBondContact O-N 2.71Å; R315-K318 VanDerWaalsContact O-CD 3.31Å; R315-K318 WeakPolarHBondContact O-CD 3.45Å; R315-K318 VanDerWaalsContact O-CE 3.23Å; R315-K318 WeakPolarHBondContact O-CE 3.34Å; R315-K318 PolarHBondContact O-NZ 3.21Å; I316-K318 PolarHBondContact O-N 2.95Å
319	R	95.9	Very high	97.4	Very high	77 Å²	77	34.7 Å²	34.7	29%	0.291	16%	0.162	S	C	.	.			trans	-117.7	142.8	175.8	-72.1	-175.7	171.1	161.1	-1.7	111	G314 T317 T406 S430	G314-R319 VanDerWaalsContact CA-O 3.31Å; G314-R319 WeakPolarHBondContact CA-O 3.47Å; G314-R319 PolarHBondContact O-N 3.32Å; T317-R319 PolarHBondContact O-N 2.9Å; R319-T406 VanDerWaalsContact NH1-CG2 3.29Å; R319-S430 PolarHBondContact NH1-OG 3.24Å
320	K	95.6	Very high	97.2	Very high	149 Å²	149	35 Å²	35	65%	0.648	17%	0.166	S	C	*	.			trans	-73.7	156.3	171.7	-57.7	177.4	-179.3	178.7	0	109.5	T322 D323 N324	K320-T322 PolarHBondContact O-N 2.93Å; K320-D323 VanDerWaalsContact CB-OD2 3.26Å; K320-D323 WeakPolarHBondContact CB-OD2 3.48Å; K320-D323 WeakPolarHBondContact CG-OD2 3.31Å; K320-D323 PolarHBondContact N-OD2 3.02Å; K320-D323 PolarHBondContact O-N 2.86Å; K320-D323 VanDerWaalsContact O-N 3.07Å; K320-N324 PolarHBondContact O-ND2 3.19Å; K320-N324 VanDerWaalsContact O-ND2 3.13Å
321	L	96.3	Very high	96.9	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-54.2	-37.9	174.6	-165.5	75.1	0	0	0	111.3	L310 L311 D323 Y326 L342 S345 L346	L310-L321 HydrophobicContact CB-CD1 4.05Å; L311-L321 HydrophobicContact CD2-CB 4.41Å; L311-L321 HydrophobicContact CD2-CD1 4.22Å; L311-L321 HydrophobicContact CD2-CD2 4.17Å; L321-D323 VanDerWaalsContact C-N 3.33Å; L321-D323 PolarHBondContact O-N 3.49Å; L321-Y326 WeakPolarHBondContact CD1-OH 3.31Å; L321-Y326 WeakPolarHBondContact CG-OH 3.13Å; L321-Y326 PolarHBondContact O-OH 3.3Å; L321-L342 HydrophobicContact CD1-CD1 3.98Å; L321-L342 HydrophobicContact CD2-CD1 4.13Å; L321-L342 HydrophobicContact CG-CD1 4.17Å; L321-S345 VanDerWaalsContact CD2-OG 3.27Å; L321-S345 WeakPolarHBondContact CD2-OG 3.45Å; L321-L346 HydrophobicContact CB-CD2 4.44Å; L321-L346 HydrophobicContact CD2-CD2 4.12Å; L321-L346 HydrophobicContact CD2-CG 4.42Å; L321-L346 HydrophobicContact CG-CD2 3.91Å; L321-L346 WeakPolarHBondContact O-CD2 3.28Å
322	T	97.4	Very high	96.4	Very high	23 Å²	23	34.9 Å²	34.9	14%	0.141	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-74.9	-15.7	-178.8	53.1	0	0	0	0	114.8	K320 N324 L346 N349 L351 K359	K320-T322 PolarHBondContact O-N 2.93Å; T322-N324 VanDerWaalsContact C-N 3.33Å; T322-L346 HydrophobicContact CG2-CD2 3.99Å; T322-N349 HydrophobicContact CG2-CB 3.89Å; T322-L351 HydrophobicContact CG2-CD1 3.92Å; T322-L351 HydrophobicContact CG2-CD2 4.25Å; T322-L351 HydrophobicContact CG2-CG 3.73Å; T322-K359 WeakPolarHBondContact O-CE 3.17Å; T322-K359 PolarHBondContact O-NZ 3.06Å
323	D	96.6	Very high	95.9	Very high	90 Å²	90	35 Å²	35	48%	0.481	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-84	-10.7	179.8	-61.3	-32.8	0	0	0	112.7	K320 L321	K320-D323 VanDerWaalsContact CB-OD2 3.26Å; K320-D323 WeakPolarHBondContact CB-OD2 3.48Å; K320-D323 WeakPolarHBondContact CG-OD2 3.31Å; K320-D323 PolarHBondContact N-OD2 3.02Å; K320-D323 PolarHBondContact O-N 2.86Å; K320-D323 VanDerWaalsContact O-N 3.07Å; L321-D323 VanDerWaalsContact C-N 3.33Å; L321-D323 PolarHBondContact O-N 3.49Å
324	N	98.2	Very high	95.5	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	18%	0.184	C	C	.	.			trans	-89.7	154.7	-173.8	-74.2	-60.4	0	0	0	113.2	K320 T322 Y326 T406 V407	K320-N324 PolarHBondContact O-ND2 3.19Å; K320-N324 VanDerWaalsContact O-ND2 3.13Å; T322-N324 VanDerWaalsContact C-N 3.33Å; N324-Y326 HydrophobicContact CB-CD2 4.39Å; N324-Y326 HydrophobicContact CB-CE1 4.02Å; N324-Y326 HydrophobicContact CB-CE2 3.69Å; N324-Y326 VanDerWaalsContact CB-CZ 3.47Å; N324-Y326 WeakPolarHBondContact CB-OH 3.36Å; N324-T406 VanDerWaalsContact CA-OG1 3.25Å; N324-T406 WeakPolarHBondContact CA-OG1 3.37Å; N324-T406 VanDerWaalsContact CB-OG1 3.31Å; N324-T406 WeakPolarHBondContact CB-OG1 3.45Å; N324-T406 PolarHBondContact OD1-OG1 3.49Å; N324-V407 HydrophobicContact CB-CG2 3.86Å
325	I	98.3	Very high	95.3	Very high	53 Å²	53	35.7 Å²	35.7	27%	0.272	18%	0.178	S	C	.	.			trans	-112.7	123.7	167.1	-61.4	171.3	0	0	0	106.9	Y361 P405 T406 V407	I325-Y361 HydrophobicContact CG2-CD2 3.95Å; I325-Y361 HydrophobicContact CG2-CE2 3.81Å; I325-P405 HydrophobicContact CG2-CB 4.33Å; I325-T406 PolarHBondContact N-OG1 2.97Å; I325-T406 PolarHBondContact O-N 2.78Å; I325-T406 PolarHBondContact O-OG1 2.96Å; I325-V407 PolarHBondContact O-N 3.44Å; I325-V407 VanDerWaalsContact O-N 3.08Å
326	Y	98.6	Very high	95.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124	-171.9	-58.3	-88.7	0	0	0	110.5	L310 L321 N324 L342 L346 K359 I360 Y361 V407	L310-Y326 HydrophobicContact CD1-CD1 4.42Å; L310-Y326 HydrophobicContact CD1-CE1 3.96Å; L310-Y326 HydrophobicContact CD2-CE1 4.35Å; L321-Y326 WeakPolarHBondContact CD1-OH 3.31Å; L321-Y326 WeakPolarHBondContact CG-OH 3.13Å; L321-Y326 PolarHBondContact O-OH 3.3Å; N324-Y326 HydrophobicContact CB-CD2 4.39Å; N324-Y326 HydrophobicContact CB-CE1 4.02Å; N324-Y326 HydrophobicContact CB-CE2 3.69Å; N324-Y326 VanDerWaalsContact CB-CZ 3.47Å; N324-Y326 WeakPolarHBondContact CB-OH 3.36Å; Y326-L342 HydrophobicContact CD1-CD2 3.59Å; Y326-L342 HydrophobicContact CD2-CD2 3.88Å; Y326-L342 HydrophobicContact CE1-CD1 4.21Å; Y326-L342 HydrophobicContact CE1-CD2 3.83Å; Y326-L342 HydrophobicContact CE2-CD1 4.42Å; Y326-L342 HydrophobicContact CE2-CD2 4.11Å; Y326-L342 HydrophobicContact CG-CD2 3.62Å; Y326-L346 HydrophobicContact CE2-CD1 4.3Å; Y326-L346 HydrophobicContact CE2-CD2 4.35Å; Y326-K359 HydrophobicContact CD2-CB 4.15Å; Y326-K359 HydrophobicContact CE2-CB 4.49Å; Y326-K359 PolarHBondContact N-O 3.4Å; Y326-I360 HydrophobicContact CD2-CG1 4.45Å; Y326-Y361 PolarHBondContact O-N 3.4Å; Y326-V407 HydrophobicContact CD1-CB 3.63Å; Y326-V407 HydrophobicContact CD1-CG1 3.75Å; Y326-V407 HydrophobicContact CD1-CG2 3.88Å; Y326-V407 HydrophobicContact CE1-CB 4.03Å; Y326-V407 HydrophobicContact CE1-CG1 4.12Å; Y326-V407 HydrophobicContact CE1-CG2 3.76Å; Y326-V407 HydrophobicContact CG-CB 4.44Å
327	L	98.6	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.2	169.6	178.7	62.8	0	0	0	109.9	V329 Y361 F363 L368 L396 V400 L403 P405 V407 I408 I409	L327-V329 HydrophobicContact CG-CG2 4.34Å; L327-Y361 CarbonylContact C-O 3.43Å; L327-Y361 WeakPolarHBondContact CA-O 3.39Å; L327-F363 HydrophobicContact CD1-CB 4.24Å; L327-L368 HydrophobicContact CD1-CD1 4.37Å; L327-L396 HydrophobicContact CD2-CD1 4.06Å; L327-V400 HydrophobicContact CD2-CG2 3.59Å; L327-L403 HydrophobicContact CD1-CD1 4.04Å; L327-P405 HydrophobicContact CB-CB 3.71Å; L327-P405 HydrophobicContact CB-CG 3.87Å; L327-P405 HydrophobicContact CD2-CG 3.99Å; L327-V407 PolarHBondContact N-O 2.92Å; L327-I408 HydrophobicContact CB-CG1 4.45Å; L327-I408 HydrophobicContact CD2-CD1 4.31Å; L327-I408 HydrophobicContact CD2-CG1 4.45Å; L327-I408 HydrophobicContact CG-CG1 4.48Å; L327-I408 CarbonylContact O-C 3.47Å; L327-I408 WeakPolarHBondContact O-CA 3.49Å; L327-I409 PolarHBondContact O-N 3.22Å
328	F	98.4	Very high	94.9	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135	169.9	-69.7	-96.3	0	0	0	109.9	A335 I338 A339 L342 I360 Y361 M362 F363 I409	F328-A335 HydrophobicContact CD1-CB 4.4Å; F328-I338 HydrophobicContact CE1-CB 3.78Å; F328-I338 HydrophobicContact CE1-CG2 3.49Å; F328-I338 VanDerWaalsContact CE1-CG2 3.49Å; F328-I338 HydrophobicContact CZ-CB 4.32Å; F328-I338 HydrophobicContact CZ-CG2 3.73Å; F328-A339 HydrophobicContact CD2-CB 4.41Å; F328-A339 HydrophobicContact CE1-CB 4.5Å; F328-A339 HydrophobicContact CE2-CB 4.05Å; F328-A339 HydrophobicContact CZ-CB 4.08Å; F328-L342 HydrophobicContact CE2-CD2 4.07Å; F328-L342 HydrophobicContact CZ-CD2 4.01Å; F328-I360 HydrophobicContact CD2-CG2 3.92Å; F328-I360 HydrophobicContact CE2-CG2 3.84Å; F328-Y361 PolarHBondContact N-O 3.33Å; F328-M362 HydrophobicContact CB-CB 4.28Å; F328-M362 HydrophobicContact CB-CE 4.4Å; F328-M362 HydrophobicContact CB-CG 4.01Å; F328-M362 HydrophobicContact CD2-CG 4.39Å; F328-M362 HydrophobicContact CG-CG 4.44Å; F328-M362 CarbonylContact O-C 3.53Å; F328-M362 WeakPolarHBondContact O-CA 3.43Å; F328-F363 WeakPolarHBondContact O-CB 3.31Å; F328-F363 PolarHBondContact O-N 3.18Å; F328-I409 CarbonylContact C-O 3.45Å; F328-I409 WeakPolarHBondContact CA-O 3.17Å; F328-I409 HydrophobicContact CD1-CB 3.92Å; F328-I409 HydrophobicContact CD1-CD1 4.27Å; F328-I409 HydrophobicContact CD1-CG2 4.01Å; F328-I409 HydrophobicContact CE1-CB 4.03Å; F328-I409 HydrophobicContact CE1-CD1 3.58Å; F328-I409 HydrophobicContact CE1-CG1 4.4Å; F328-I409 HydrophobicContact CE1-CG2 3.98Å; F328-I409 HydrophobicContact CE2-CD1 4.24Å; F328-I409 HydrophobicContact CZ-CD1 3.57Å
329	V	97.8	Very high	94.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104.1	175.1	-178.2	0	0	0	0	107.5	L327 L396 I408 I409 A411 S412 I417 F418	L327-V329 HydrophobicContact CG-CG2 4.34Å; V329-L396 HydrophobicContact CG1-CD2 3.84Å; V329-L396 HydrophobicContact CG2-CD1 3.64Å; V329-L396 HydrophobicContact CG2-CD2 4.02Å; V329-L396 HydrophobicContact CG2-CG 4.49Å; V329-I408 HydrophobicContact CG2-CD1 4.05Å; V329-I408 HydrophobicContact CG2-CG1 4.03Å; V329-I409 PolarHBondContact N-O 3.44Å; V329-A411 CarbonylContact O-C 3.49Å; V329-A411 PolarHBondContact O-N 3.2Å; V329-S412 WeakPolarHBondContact O-CB 3.45Å; V329-S412 PolarHBondContact O-N 3.44Å; V329-I417 HydrophobicContact CG1-CD1 3.7Å; V329-I417 HydrophobicContact CG1-CG2 4.21Å; V329-F418 HydrophobicContact CB-CE1 3.9Å; V329-F418 HydrophobicContact CB-CZ 4.36Å; V329-F418 HydrophobicContact CG1-CE1 4.19Å; V329-F418 HydrophobicContact CG2-CE1 3.76Å; V329-F418 HydrophobicContact CG2-CZ 4.33Å
330	G	93.8	Very high	94.9	Very high	7 Å²	7	22.3 Å²	22.3	7%	0.072	12%	0.123	C	C	.	.			trans	114.8	144.3	-159	0	0	0	0	0	110.6	A335 F363	G330-A335 VanDerWaalsContact O-CB 3.23Å; G330-A335 WeakPolarHBondContact O-CB 3.46Å; G330-F363 CarbonylContact C-O 3.11Å; G330-F363 WeakPolarHBondContact CA-O 3.37Å; G330-F363 PolarHBondContact N-O 3.07Å
331	A	91.5	Very high	94.9	Very high	18 Å²	18	15.2 Å²	15.2	15%	0.149	9%	0.092	C	C	.	.			trans	-139.9	36.2	176.2	0	0	0	0	0	111.8	M362 D364 L369 N382	A331-M362 HydrophobicContact CB-CE 3.95Å; A331-D364 HydrophobicContact CB-CB 3.9Å; A331-L369 HydrophobicContact CB-CD1 4.47Å; A331-L369 HydrophobicContact CB-CD2 4.48Å; A331-N382 WeakPolarHBondContact CB-ND2 3.46Å; A331-N382 PolarHBondContact O-ND2 3.5Å
332	G	88.2	Confident	94.9	Very high	21 Å²	21	14.6 Å²	14.6	22%	0.216	9%	0.089	C	C	.	.	S	Bend	trans	-90	-169.7	170.9	0	0	0	0	0	112.2	A334 A335 T336	G332-A334 PolarHBondContact O-N 3.03Å; G332-A335 PolarHBondContact O-N 3.32Å; G332-T336 WeakPolarHBondContact O-CB 3.42Å; G332-T336 PolarHBondContact O-N 3.41Å; G332-T336 PolarHBondContact O-OG1 3.01Å
333	E	87.6	Confident	94.9	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-49.6	-54.8	-177.5	-69.3	161.9	167.8	0	0	114.3	R184 N278 A281 F282 I299 A335 T336 G337	R184-E333 IonicContact CZ-OE2 3.2Å; R184-E333 IonicContact NH1-OE2 2.95Å; R184-E333 PolarHBondContact NH1-OE2 3.37Å; N278-E333 VanDerWaalsContact CA-CD 3.5Å; N278-E333 WeakPolarHBondContact CA-OE1 3.48Å; N278-E333 PolarHBondContact N-OE1 3.32Å; N278-E333 VanDerWaalsContact N-OE1 3.14Å; N278-E333 WeakPolarHBondContact OD1-CG 3.45Å; N278-E333 PolarHBondContact OD1-N 3.45Å; A281-E333 HydrophobicContact CB-CG 4.02Å; A281-E333 WeakPolarHBondContact CB-OE1 3.36Å; A281-E333 PolarHBondContact N-OE1 3.16Å; F282-E333 HydrophobicContact CD2-CG 4.02Å; F282-E333 HydrophobicContact CE2-CB 4.21Å; F282-E333 HydrophobicContact CE2-CG 4.01Å; I299-E333 HydrophobicContact CG1-CB 4.16Å; E333-A335 PolarHBondContact O-N 3.33Å; E333-T336 PolarHBondContact O-N 3.3Å; E333-G337 PolarHBondContact O-N 3.35Å
334	A	88.3	Confident	94.8	Very high	25 Å²	25	11.3 Å²	11.3	21%	0.207	7%	0.073	C	C	.	.	H	α-helix	trans	-58.3	-52.1	179.5	0	0	0	0	0	112.3	T302 G332 T336 G337 I338 A411	T302-A334 HydrophobicContact CG2-CB 4.17Å; G332-A334 PolarHBondContact O-N 3.03Å; A334-T336 VanDerWaalsContact C-N 3.33Å; A334-T336 PolarHBondContact O-N 2.77Å; A334-G337 PolarHBondContact O-N 3.43Å; A334-I338 WeakPolarHBondContact O-CB 3.28Å; A334-I338 VanDerWaalsContact O-CD1 3.25Å; A334-I338 WeakPolarHBondContact O-CD1 3.47Å; A334-I338 WeakPolarHBondContact O-CG1 3.42Å; A334-I338 PolarHBondContact O-N 3.31Å; A334-A411 HydrophobicContact CB-CB 4.46Å
335	A	93.7	Very high	94.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-43.7	-178.6	0	0	0	0	0	112	F328 G330 G332 E333 A339 M362 A411	F328-A335 HydrophobicContact CD1-CB 4.4Å; G330-A335 VanDerWaalsContact O-CB 3.23Å; G330-A335 WeakPolarHBondContact O-CB 3.46Å; G332-A335 PolarHBondContact O-N 3.32Å; E333-A335 PolarHBondContact O-N 3.33Å; A335-A339 WeakPolarHBondContact O-CB 3.33Å; A335-A339 PolarHBondContact O-N 2.72Å; A335-M362 HydrophobicContact CB-CE 3.86Å; A335-A411 HydrophobicContact CB-CB 4.07Å
336	T	92.8	Very high	94.6	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-71	-42.8	-178.1	-49.7	0	0	0	0	111.2	F282 G332 E333 A334 A339 Q340 H381 N382 F385	F282-T336 HydrophobicContact CE2-CG2 4.07Å; F282-T336 HydrophobicContact CZ-CG2 3.8Å; G332-T336 WeakPolarHBondContact O-CB 3.42Å; G332-T336 PolarHBondContact O-N 3.41Å; G332-T336 PolarHBondContact O-OG1 3.01Å; E333-T336 PolarHBondContact O-N 3.3Å; A334-T336 VanDerWaalsContact C-N 3.33Å; A334-T336 PolarHBondContact O-N 2.77Å; T336-A339 PolarHBondContact O-N 2.97Å; T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 3.4Å; T336-H381 HydrophobicContact CG2-CB 3.84Å; T336-N382 PolarHBondContact OG1-OD1 3.05Å; T336-N382 VanDerWaalsContact OG1-OD1 3.05Å; T336-F385 HydrophobicContact CG2-CE2 4.17Å
337	G	93.4	Very high	94.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-44.2	175.3	0	0	0	0	0	112	A303 E333 A334 Q340 L341	A303-G337 VanDerWaalsContact CB-O 3.31Å; A303-G337 WeakPolarHBondContact CB-O 3.41Å; E333-G337 PolarHBondContact O-N 3.35Å; A334-G337 PolarHBondContact O-N 3.43Å; G337-Q340 PolarHBondContact O-N 3.28Å; G337-L341 PolarHBondContact O-N 2.8Å
338	I	96.5	Very high	94	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-47.5	173.5	-61.4	156.4	0	0	0	110.2	T302 A303 T306 F328 A334 Q340 L341 L342 L438	T302-I338 HydrophobicContact CG2-CD1 4.1Å; T302-I338 HydrophobicContact CG2-CG1 4.28Å; A303-I338 HydrophobicContact CB-CG1 4.35Å; T306-I338 HydrophobicContact CG2-CD1 4.13Å; T306-I338 HydrophobicContact CG2-CG1 4.24Å; T306-I338 HydrophobicContact CG2-CG2 3.52Å; F328-I338 HydrophobicContact CE1-CB 3.78Å; F328-I338 HydrophobicContact CE1-CG2 3.49Å; F328-I338 VanDerWaalsContact CE1-CG2 3.49Å; F328-I338 HydrophobicContact CZ-CB 4.32Å; F328-I338 HydrophobicContact CZ-CG2 3.73Å; A334-I338 WeakPolarHBondContact O-CB 3.28Å; A334-I338 VanDerWaalsContact O-CD1 3.25Å; A334-I338 WeakPolarHBondContact O-CD1 3.47Å; A334-I338 WeakPolarHBondContact O-CG1 3.42Å; A334-I338 PolarHBondContact O-N 3.31Å; I338-Q340 VanDerWaalsContact C-N 3.34Å; I338-Q340 PolarHBondContact O-N 3.35Å; I338-L341 PolarHBondContact O-N 3.38Å; I338-L342 WeakPolarHBondContact O-CB 3.39Å; I338-L342 PolarHBondContact O-N 2.74Å; I338-L438 HydrophobicContact CD1-CD1 3.7Å
339	A	96.5	Very high	93.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-40.8	-179.6	0	0	0	0	0	112.3	F328 A335 T336 L342 A343 I360 M362 F385	F328-A339 HydrophobicContact CD2-CB 4.41Å; F328-A339 HydrophobicContact CE1-CB 4.5Å; F328-A339 HydrophobicContact CE2-CB 4.05Å; F328-A339 HydrophobicContact CZ-CB 4.08Å; A335-A339 WeakPolarHBondContact O-CB 3.33Å; A335-A339 PolarHBondContact O-N 2.72Å; T336-A339 PolarHBondContact O-N 2.97Å; A339-L342 PolarHBondContact O-N 3.07Å; A339-A343 WeakPolarHBondContact O-CB 3.23Å; A339-A343 PolarHBondContact O-N 3.23Å; A339-I360 HydrophobicContact CB-CG2 4.14Å; A339-M362 HydrophobicContact CB-SD 4.27Å; A339-F385 HydrophobicContact CB-CD1 4.34Å; A339-F385 HydrophobicContact CB-CD2 4.39Å; A339-F385 HydrophobicContact CB-CE1 3.78Å; A339-F385 HydrophobicContact CB-CE2 3.83Å; A339-F385 HydrophobicContact CB-CZ 3.5Å
340	Q	94.6	Very high	93.4	Very high	57 Å²	57	24 Å²	24	27%	0.266	15%	0.154	S	C	.	.	H	α-helix	trans	-63.7	-51.3	176.4	-74.4	173.1	-13.7	0	0	111.7	T336 G337 I338 L342 A343 T344 F385	T336-Q340 WeakPolarHBondContact O-CG 3.33Å; T336-Q340 PolarHBondContact O-N 3.4Å; G337-Q340 PolarHBondContact O-N 3.28Å; I338-Q340 VanDerWaalsContact C-N 3.34Å; I338-Q340 PolarHBondContact O-N 3.35Å; Q340-L342 VanDerWaalsContact C-N 3.3Å; Q340-L342 PolarHBondContact O-N 2.93Å; Q340-A343 WeakPolarHBondContact O-CB 3.24Å; Q340-A343 PolarHBondContact O-N 2.91Å; Q340-T344 PolarHBondContact O-N 2.87Å; Q340-T344 PolarHBondContact O-OG1 3.19Å; Q340-F385 HydrophobicContact CG-CE2 3.98Å; Q340-F385 HydrophobicContact CG-CZ 3.87Å
341	L	95.8	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-36	178.6	-167.6	74.9	0	0	0	111.9	A303 A304 V307 G337 I338 T344 S345 Q510 F513 V514	A303-L341 HydrophobicContact CB-CB 3.64Å; A303-L341 HydrophobicContact CB-CD2 3.63Å; A303-L341 HydrophobicContact CB-CG 4.26Å; A304-L341 HydrophobicContact CB-CD2 4.04Å; A304-L341 VanDerWaalsContact N-CD2 3.27Å; V307-L341 HydrophobicContact CB-CD2 4.37Å; V307-L341 HydrophobicContact CG2-CB 4.37Å; V307-L341 HydrophobicContact CG2-CD2 4.01Å; V307-L341 HydrophobicContact CG2-CG 4.26Å; G337-L341 PolarHBondContact O-N 2.8Å; I338-L341 PolarHBondContact O-N 3.38Å; L341-T344 PolarHBondContact O-N 2.93Å; L341-S345 WeakPolarHBondContact O-CB 3.17Å; L341-S345 PolarHBondContact O-N 2.79Å; L341-Q510 HydrophobicContact CD1-CG 3.92Å; L341-Q510 VanDerWaalsContact CD1-NE2 3.31Å; L341-F513 HydrophobicContact CD1-CB 3.9Å; L341-F513 HydrophobicContact CD2-CB 4.15Å; L341-V514 HydrophobicContact CD1-CG2 3.47Å; L341-V514 VanDerWaalsContact CD1-CG2 3.47Å; L341-V514 HydrophobicContact CG-CG2 4.08Å
342	L	97.4	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-44.2	173.9	177.1	61.6	0	0	0	111	V307 L310 L321 Y326 F328 I338 A339 Q340 T344 S345 L346 I360	V307-L342 HydrophobicContact CG2-CB 4.25Å; L310-L342 HydrophobicContact CD1-CD1 4.07Å; L310-L342 HydrophobicContact CD1-CD2 4.34Å; L321-L342 HydrophobicContact CD1-CD1 3.98Å; L321-L342 HydrophobicContact CD2-CD1 4.13Å; L321-L342 HydrophobicContact CG-CD1 4.17Å; Y326-L342 HydrophobicContact CD1-CD2 3.59Å; Y326-L342 HydrophobicContact CD2-CD2 3.88Å; Y326-L342 HydrophobicContact CE1-CD1 4.21Å; Y326-L342 HydrophobicContact CE1-CD2 3.83Å; Y326-L342 HydrophobicContact CE2-CD1 4.42Å; Y326-L342 HydrophobicContact CE2-CD2 4.11Å; Y326-L342 HydrophobicContact CG-CD2 3.62Å; F328-L342 HydrophobicContact CE2-CD2 4.07Å; F328-L342 HydrophobicContact CZ-CD2 4.01Å; I338-L342 WeakPolarHBondContact O-CB 3.39Å; I338-L342 PolarHBondContact O-N 2.74Å; A339-L342 PolarHBondContact O-N 3.07Å; Q340-L342 VanDerWaalsContact C-N 3.3Å; Q340-L342 PolarHBondContact O-N 2.93Å; L342-T344 VanDerWaalsContact C-N 3.33Å; L342-T344 PolarHBondContact O-N 2.57Å; L342-S345 PolarHBondContact O-N 2.94Å; L342-L346 HydrophobicContact CD1-CD1 4.43Å; L342-L346 HydrophobicContact CD1-CG 4.23Å; L342-L346 HydrophobicContact CG-CD1 4.13Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 WeakPolarHBondContact O-CB 3.29Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.18Å; L342-L346 PolarHBondContact O-N 3.46Å; L342-I360 HydrophobicContact CB-CD1 4.42Å; L342-I360 HydrophobicContact CD2-CD1 4.1Å; L342-I360 HydrophobicContact CD2-CG1 4.22Å; L342-I360 HydrophobicContact CG-CD1 4.15Å
343	A	96	Very high	94.1	Very high	7 Å²	7	33.5 Å²	33.5	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-42	175.4	0	0	0	0	0	111.7	A339 Q340 L346 Q347 L357 I360	A339-A343 WeakPolarHBondContact O-CB 3.23Å; A339-A343 PolarHBondContact O-N 3.23Å; Q340-A343 WeakPolarHBondContact O-CB 3.24Å; Q340-A343 PolarHBondContact O-N 2.91Å; A343-L346 PolarHBondContact O-N 2.92Å; A343-Q347 WeakPolarHBondContact O-CG 3.07Å; A343-Q347 PolarHBondContact O-N 3.25Å; A343-Q347 PolarHBondContact O-NE2 3.1Å; A343-L357 HydrophobicContact CB-CD2 4.2Å; A343-I360 HydrophobicContact CB-CD1 3.98Å
344	T	94.3	Very high	94.5	Very high	38 Å²	38	41.6 Å²	41.6	23%	0.233	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-45	172.7	-53	0	0	0	0	111.6	Q340 L341 L342 L346 Q347 L348 V514	Q340-T344 PolarHBondContact O-N 2.87Å; Q340-T344 PolarHBondContact O-OG1 3.19Å; L341-T344 PolarHBondContact O-N 2.93Å; L342-T344 VanDerWaalsContact C-N 3.33Å; L342-T344 PolarHBondContact O-N 2.57Å; T344-L346 PolarHBondContact O-N 3.26Å; T344-Q347 PolarHBondContact O-N 3.26Å; T344-L348 HydrophobicContact CG2-CD1 4.21Å; T344-L348 WeakPolarHBondContact O-CG 3.46Å; T344-L348 PolarHBondContact O-N 3.07Å; T344-V514 HydrophobicContact CG2-CG2 4.07Å
345	S	95	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-39.3	178.8	-173.6	0	0	0	0	112.2	L321 L341 L342 Q347 L348 N349	L321-S345 VanDerWaalsContact CD2-OG 3.27Å; L321-S345 WeakPolarHBondContact CD2-OG 3.45Å; L341-S345 WeakPolarHBondContact O-CB 3.17Å; L341-S345 PolarHBondContact O-N 2.79Å; L342-S345 PolarHBondContact O-N 2.94Å; S345-Q347 VanDerWaalsContact C-N 3.34Å; S345-Q347 PolarHBondContact O-N 3.41Å; S345-L348 PolarHBondContact O-N 3.01Å; S345-N349 WeakPolarHBondContact O-CB 3.37Å; S345-N349 PolarHBondContact O-N 3.06Å; S345-N349 PolarHBondContact O-ND2 2.97Å
346	L	97	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-41.6	173.6	-74	170.8	0	0	0	111.8	L321 T322 Y326 L342 A343 T344 N349 G350 L351 A356 K359 I360	L321-L346 HydrophobicContact CB-CD2 4.44Å; L321-L346 HydrophobicContact CD2-CD2 4.12Å; L321-L346 HydrophobicContact CD2-CG 4.42Å; L321-L346 HydrophobicContact CG-CD2 3.91Å; L321-L346 WeakPolarHBondContact O-CD2 3.28Å; T322-L346 HydrophobicContact CG2-CD2 3.99Å; Y326-L346 HydrophobicContact CE2-CD1 4.3Å; Y326-L346 HydrophobicContact CE2-CD2 4.35Å; L342-L346 HydrophobicContact CD1-CD1 4.43Å; L342-L346 HydrophobicContact CD1-CG 4.23Å; L342-L346 HydrophobicContact CG-CD1 4.13Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 WeakPolarHBondContact O-CB 3.29Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.18Å; L342-L346 PolarHBondContact O-N 3.46Å; A343-L346 PolarHBondContact O-N 2.92Å; T344-L346 PolarHBondContact O-N 3.26Å; L346-N349 CarbonylContact O-C 3.55Å; L346-N349 PolarHBondContact O-N 3.24Å; L346-N349 VanDerWaalsContact O-N 3.17Å; L346-G350 PolarHBondContact O-N 2.89Å; L346-L351 HydrophobicContact CB-CD1 4.35Å; L346-L351 HydrophobicContact CD2-CD1 4.33Å; L346-L351 PolarHBondContact O-N 3.03Å; L346-A356 HydrophobicContact CB-CB 3.78Å; L346-A356 HydrophobicContact CD1-CB 4.28Å; L346-K359 HydrophobicContact CD1-CB 4.3Å; L346-I360 HydrophobicContact CD1-CD1 4.25Å; L346-I360 HydrophobicContact CD1-CG1 4.44Å
347	Q	95.2	Very high	95.2	Very high	77 Å²	77	46.2 Å²	46.2	36%	0.36	25%	0.245	S	C	.	.	H	α-helix	trans	-65.1	-43.9	176.3	-73.2	175.3	74.7	0	0	112.1	A343 T344 S345 N349 G350 L351 A356	A343-Q347 WeakPolarHBondContact O-CG 3.07Å; A343-Q347 PolarHBondContact O-N 3.25Å; A343-Q347 PolarHBondContact O-NE2 3.1Å; T344-Q347 PolarHBondContact O-N 3.26Å; S345-Q347 VanDerWaalsContact C-N 3.34Å; S345-Q347 PolarHBondContact O-N 3.41Å; Q347-N349 PolarHBondContact O-N 2.92Å; Q347-G350 PolarHBondContact O-N 2.9Å; Q347-L351 VanDerWaalsContact CA-O 3.26Å; Q347-L351 WeakPolarHBondContact CA-O 3.15Å; Q347-A356 HydrophobicContact CG-CB 3.89Å
348	L	89.6	Confident	95.3	Very high	103 Å²	103	48.4 Å²	48.4	54%	0.539	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-23.5	174.2	-70.9	170.1	0	0	0	112.8	T344 S345 G350 V514	T344-L348 HydrophobicContact CG2-CD1 4.21Å; T344-L348 WeakPolarHBondContact O-CG 3.46Å; T344-L348 PolarHBondContact O-N 3.07Å; S345-L348 PolarHBondContact O-N 3.01Å; L348-G350 VanDerWaalsContact C-N 3.32Å; L348-V514 HydrophobicContact CD1-CB 4.24Å; L348-V514 HydrophobicContact CD1-CG1 3.75Å; L348-V514 HydrophobicContact CD1-CG2 4.24Å
349	N	91.7	Very high	95.3	Very high	81 Å²	81	51.1 Å²	51.1	43%	0.433	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	15.6	173.8	-78	-91.5	0	0	0	113.7	T322 S345 L346 Q347	T322-N349 HydrophobicContact CG2-CB 3.89Å; S345-N349 WeakPolarHBondContact O-CB 3.37Å; S345-N349 PolarHBondContact O-N 3.06Å; S345-N349 PolarHBondContact O-ND2 2.97Å; L346-N349 CarbonylContact O-C 3.55Å; L346-N349 PolarHBondContact O-N 3.24Å; L346-N349 VanDerWaalsContact O-N 3.17Å; Q347-N349 PolarHBondContact O-N 2.92Å
350	G	92.9	Very high	95.4	Very high	65 Å²	65	51.1 Å²	51.1	67%	0.67	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	8	165.2	0	0	0	0	0	116.3	L346 Q347 L348	L346-G350 PolarHBondContact O-N 2.89Å; Q347-G350 PolarHBondContact O-N 2.9Å; L348-G350 VanDerWaalsContact C-N 3.32Å
351	L	96.8	Very high	95.6	Very high	35 Å²	35	50 Å²	50	18%	0.183	27%	0.265	C	S	.	.			trans	-86	151.7	169.5	-60.7	-169.7	0	0	0	110.9	T322 L346 Q347 E355 A356 K359	T322-L351 HydrophobicContact CG2-CD1 3.92Å; T322-L351 HydrophobicContact CG2-CD2 4.25Å; T322-L351 HydrophobicContact CG2-CG 3.73Å; L346-L351 HydrophobicContact CB-CD1 4.35Å; L346-L351 HydrophobicContact CD2-CD1 4.33Å; L346-L351 PolarHBondContact O-N 3.03Å; Q347-L351 VanDerWaalsContact CA-O 3.26Å; Q347-L351 WeakPolarHBondContact CA-O 3.15Å; L351-E355 HydrophobicContact CB-CB 4Å; L351-E355 HydrophobicContact CD1-CB 4.39Å; L351-E355 HydrophobicContact CD2-CB 4.42Å; L351-E355 HydrophobicContact CG-CB 4.49Å; L351-A356 HydrophobicContact CB-CB 4.39Å; L351-K359 HydrophobicContact CD1-CG 4.33Å
352	D	96.9	Very high	95.6	Very high	88 Å²	88	50 Å²	50	47%	0.471	27%	0.265	S	S	.	.			trans	-75.9	170.2	162.7	74.8	35.8	0	0	0	111.2	K354 E355 A356	D352-K354 VanDerWaalsContact C-N 3.31Å; D352-K354 PolarHBondContact O-N 3.49Å; D352-K354 WeakPolarHBondContact OD1-CA 3.42Å; D352-K354 WeakPolarHBondContact OD1-CB 3.48Å; D352-K354 PolarHBondContact OD1-N 3.47Å; D352-E355 PolarHBondContact N-OE2 3.39Å; D352-E355 PolarHBondContact O-N 2.94Å; D352-E355 WeakPolarHBondContact OD1-CB 3.37Å; D352-E355 WeakPolarHBondContact OD1-CG 3.18Å; D352-E355 PolarHBondContact OD1-N 2.63Å; D352-A356 WeakPolarHBondContact O-CB 3.31Å; D352-A356 PolarHBondContact O-N 3.02Å
353	E	94.8	Very high	95.6	Very high	122 Å²	122	50.7 Å²	50.7	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-57.9	-42.9	-179.3	-176.3	179.3	-172.3	0	0	112.3	A356 L357	E353-A356 PolarHBondContact O-N 3.45Å; E353-L357 HydrophobicContact CG-CD1 4.06Å; E353-L357 HydrophobicContact CG-CG 4.48Å; E353-L357 WeakPolarHBondContact O-CB 3.42Å; E353-L357 VanDerWaalsContact O-CG 3.27Å; E353-L357 WeakPolarHBondContact O-CG 3.44Å; E353-L357 PolarHBondContact O-N 3.08Å
354	K	95.4	Very high	95.5	Very high	173 Å²	173	51.6 Å²	51.6	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-67.7	-42.4	-177.9	-175.8	-177.9	179.2	-178.7	0	110.9	D352 S358	D352-K354 VanDerWaalsContact C-N 3.31Å; D352-K354 PolarHBondContact O-N 3.49Å; D352-K354 WeakPolarHBondContact OD1-CA 3.42Å; D352-K354 WeakPolarHBondContact OD1-CB 3.48Å; D352-K354 PolarHBondContact OD1-N 3.47Å; K354-S358 WeakPolarHBondContact O-CB 3.5Å; K354-S358 PolarHBondContact O-N 2.95Å
355	E	96.7	Very high	95.3	Very high	92 Å²	92	59 Å²	59	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-44	174.7	-72.6	-178	144.6	0	0	111.1	L351 D352 S358 K359	L351-E355 HydrophobicContact CB-CB 4Å; L351-E355 HydrophobicContact CD1-CB 4.39Å; L351-E355 HydrophobicContact CD2-CB 4.42Å; L351-E355 HydrophobicContact CG-CB 4.49Å; D352-E355 PolarHBondContact N-OE2 3.39Å; D352-E355 PolarHBondContact O-N 2.94Å; D352-E355 WeakPolarHBondContact OD1-CB 3.37Å; D352-E355 WeakPolarHBondContact OD1-CG 3.18Å; D352-E355 PolarHBondContact OD1-N 2.63Å; E355-S358 WeakPolarHBondContact O-CB 3.46Å; E355-S358 PolarHBondContact O-N 2.9Å; E355-S358 PolarHBondContact O-OG 2.83Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.94Å
356	A	96.6	Very high	95.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-49.8	176.6	0	0	0	0	0	111.4	L346 Q347 L351 D352 E353 S358 K359	L346-A356 HydrophobicContact CB-CB 3.78Å; L346-A356 HydrophobicContact CD1-CB 4.28Å; Q347-A356 HydrophobicContact CG-CB 3.89Å; L351-A356 HydrophobicContact CB-CB 4.39Å; D352-A356 WeakPolarHBondContact O-CB 3.31Å; D352-A356 PolarHBondContact O-N 3.02Å; E353-A356 PolarHBondContact O-N 3.45Å; A356-S358 PolarHBondContact O-N 3.17Å; A356-K359 PolarHBondContact O-N 3.03Å; A356-K359 VanDerWaalsContact O-N 3.16Å
357	L	95.8	Very high	94.9	Very high	33 Å²	33	62.4 Å²	62.4	17%	0.173	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-29.5	176	-65.8	176.8	0	0	0	111.9	A343 E353 K359 I360 V384 F385 R387	A343-L357 HydrophobicContact CB-CD2 4.2Å; E353-L357 HydrophobicContact CG-CD1 4.06Å; E353-L357 HydrophobicContact CG-CG 4.48Å; E353-L357 WeakPolarHBondContact O-CB 3.42Å; E353-L357 VanDerWaalsContact O-CG 3.27Å; E353-L357 WeakPolarHBondContact O-CG 3.44Å; E353-L357 PolarHBondContact O-N 3.08Å; L357-K359 PolarHBondContact O-N 3.47Å; L357-I360 PolarHBondContact O-N 3.36Å; L357-V384 HydrophobicContact CD1-CG1 3.9Å; L357-V384 HydrophobicContact CD2-CG1 3.95Å; L357-F385 HydrophobicContact CD2-CD1 3.91Å; L357-F385 HydrophobicContact CD2-CE1 3.62Å; L357-R387 PolarHBondContact O-NH1 2.97Å
358	S	96	Very high	94.9	Very high	45 Å²	45	58.8 Å²	58.8	32%	0.315	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-22.5	175	85.4	0	0	0	0	114.4	K354 E355 A356	K354-S358 WeakPolarHBondContact O-CB 3.5Å; K354-S358 PolarHBondContact O-N 2.95Å; E355-S358 WeakPolarHBondContact O-CB 3.46Å; E355-S358 PolarHBondContact O-N 2.9Å; E355-S358 PolarHBondContact O-OG 2.83Å; A356-S358 PolarHBondContact O-N 3.17Å
359	K	97.4	Very high	95.2	Very high	58 Å²	58	53.9 Å²	53.9	25%	0.252	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-13	-179.7	-58.1	-62.9	-174.3	160.3	0	113.4	T322 Y326 L346 L351 E355 A356 L357	T322-K359 WeakPolarHBondContact O-CE 3.17Å; T322-K359 PolarHBondContact O-NZ 3.06Å; Y326-K359 HydrophobicContact CD2-CB 4.15Å; Y326-K359 HydrophobicContact CE2-CB 4.49Å; Y326-K359 PolarHBondContact N-O 3.4Å; L346-K359 HydrophobicContact CD1-CB 4.3Å; L351-K359 HydrophobicContact CD1-CG 4.33Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.94Å; A356-K359 PolarHBondContact O-N 3.03Å; A356-K359 VanDerWaalsContact O-N 3.16Å; L357-K359 PolarHBondContact O-N 3.47Å
360	I	97.8	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.7	-169.8	-60.5	173.7	0	0	0	109.9	Y326 F328 A339 L342 A343 L346 L357 M362 F385	Y326-I360 HydrophobicContact CD2-CG1 4.45Å; F328-I360 HydrophobicContact CD2-CG2 3.92Å; F328-I360 HydrophobicContact CE2-CG2 3.84Å; A339-I360 HydrophobicContact CB-CG2 4.14Å; L342-I360 HydrophobicContact CB-CD1 4.42Å; L342-I360 HydrophobicContact CD2-CD1 4.1Å; L342-I360 HydrophobicContact CD2-CG1 4.22Å; L342-I360 HydrophobicContact CG-CD1 4.15Å; A343-I360 HydrophobicContact CB-CD1 3.98Å; L346-I360 HydrophobicContact CD1-CD1 4.25Å; L346-I360 HydrophobicContact CD1-CG1 4.44Å; L357-I360 PolarHBondContact O-N 3.36Å; I360-M362 HydrophobicContact CG2-CG 4.44Å; I360-F385 HydrophobicContact CB-CD1 4.29Å; I360-F385 HydrophobicContact CD1-CE1 4.19Å; I360-F385 HydrophobicContact CG2-CD1 3.76Å; I360-F385 HydrophobicContact CG2-CE1 4.1Å
361	Y	97.9	Very high	95	Very high	32 Å²	32	51.4 Å²	51.4	13%	0.125	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.9	173.2	-63.8	-87.6	0	0	0	108.6	I325 Y326 L327 F328 L368 R387 L403	I325-Y361 HydrophobicContact CG2-CD2 3.95Å; I325-Y361 HydrophobicContact CG2-CE2 3.81Å; Y326-Y361 PolarHBondContact O-N 3.4Å; L327-Y361 CarbonylContact C-O 3.43Å; L327-Y361 WeakPolarHBondContact CA-O 3.39Å; F328-Y361 PolarHBondContact N-O 3.33Å; Y361-L368 HydrophobicContact CD1-CD1 4.34Å; Y361-R387 HydrophobicContact CD1-CG 3.95Å; Y361-R387 HydrophobicContact CE1-CG 4.07Å; Y361-L403 HydrophobicContact CD1-CD1 3.84Å; Y361-L403 HydrophobicContact CD1-CD2 3.62Å; Y361-L403 HydrophobicContact CD1-CG 4.37Å; Y361-L403 HydrophobicContact CD2-CD1 4.3Å; Y361-L403 HydrophobicContact CD2-CD2 4.35Å; Y361-L403 HydrophobicContact CE1-CD1 4.49Å; Y361-L403 HydrophobicContact CE1-CD2 3.41Å; Y361-L403 VanDerWaalsContact CE1-CD2 3.41Å; Y361-L403 HydrophobicContact CE2-CD2 4.2Å; Y361-L403 HydrophobicContact CG-CD1 3.73Å; Y361-L403 HydrophobicContact CG-CD2 4.09Å; Y361-L403 HydrophobicContact CG-CG 4.48Å
362	M	97.1	Very high	94.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.5	174.2	-54.8	-176.4	75.6	0	0	110.3	F328 A331 A335 A339 I360 L368 L369 F385	F328-M362 HydrophobicContact CB-CB 4.28Å; F328-M362 HydrophobicContact CB-CE 4.4Å; F328-M362 HydrophobicContact CB-CG 4.01Å; F328-M362 HydrophobicContact CD2-CG 4.39Å; F328-M362 HydrophobicContact CG-CG 4.44Å; F328-M362 CarbonylContact O-C 3.53Å; F328-M362 WeakPolarHBondContact O-CA 3.43Å; A331-M362 HydrophobicContact CB-CE 3.95Å; A335-M362 HydrophobicContact CB-CE 3.86Å; A339-M362 HydrophobicContact CB-SD 4.27Å; I360-M362 HydrophobicContact CG2-CG 4.44Å; M362-L368 WeakPolarHBondContact O-CD1 3.33Å; M362-L369 HydrophobicContact CB-CD1 3.54Å; M362-L369 HydrophobicContact CB-CG 3.84Å; M362-L369 HydrophobicContact CG-CD1 4.2Å; M362-L369 WeakPolarHBondContact O-CG 3.38Å; M362-L369 PolarHBondContact O-N 3.2Å; M362-L369 HydrophobicContact SD-CD1 3.96Å; M362-F385 HydrophobicContact CG-CB 4Å; M362-F385 HydrophobicContact CG-CG 4.32Å; M362-F385 HydrophobicContact SD-CB 3.65Å; M362-F385 HydrophobicContact SD-CD2 3.47Å; M362-F385 WeakPolarHBondContact SD-CD2 3.48Å; M362-F385 HydrophobicContact SD-CE2 4.27Å; M362-F385 HydrophobicContact SD-CG 3.63Å
363	F	96.2	Very high	93.9	Very high	15 Å²	15	50.3 Å²	50.3	7%	0.066	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.9	-178.8	-170.8	-76.6	0	0	0	109.1	L327 F328 G330 G367 L368 R394 L396 A399	L327-F363 HydrophobicContact CD1-CB 4.24Å; F328-F363 WeakPolarHBondContact O-CB 3.31Å; F328-F363 PolarHBondContact O-N 3.18Å; G330-F363 CarbonylContact C-O 3.11Å; G330-F363 WeakPolarHBondContact CA-O 3.37Å; G330-F363 PolarHBondContact N-O 3.07Å; F363-G367 CarbonylContact C-O 3.59Å; F363-G367 WeakPolarHBondContact CA-O 3.4Å; F363-G367 WeakPolarHBondContact CD2-O 3.43Å; F363-G367 VanDerWaalsContact CG-O 3.29Å; F363-G367 WeakPolarHBondContact CG-O 3.44Å; F363-L368 HydrophobicContact CD2-CB 4.23Å; F363-R394 WeakPolarHBondContact CZ-O 3.39Å; F363-L396 HydrophobicContact CB-CD1 4.33Å; F363-L396 HydrophobicContact CD1-CD1 4.09Å; F363-L396 HydrophobicContact CD2-CD1 4.11Å; F363-L396 HydrophobicContact CE1-CB 4.07Å; F363-L396 HydrophobicContact CE1-CD1 4.45Å; F363-L396 HydrophobicContact CE2-CB 4.34Å; F363-L396 HydrophobicContact CE2-CD1 4.46Å; F363-L396 HydrophobicContact CG-CD1 3.92Å; F363-L396 HydrophobicContact CZ-CB 3.96Å; F363-A399 HydrophobicContact CD2-CB 4.13Å; F363-A399 HydrophobicContact CE2-CB 4.28Å
364	D	93.8	Very high	93.1	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.134	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-167.6	177.6	69.6	6	0	0	0	111.2	A331 D366 G367 L369 R373	A331-D364 HydrophobicContact CB-CB 3.9Å; D364-D366 PolarHBondContact O-N 2.82Å; D364-D366 VanDerWaalsContact O-N 3.1Å; D364-D366 WeakPolarHBondContact OD1-CA 3.28Å; D364-D366 PolarHBondContact OD1-N 3.03Å; D364-G367 PolarHBondContact N-O 3.2Å; D364-G367 PolarHBondContact O-N 3.1Å; D364-G367 VanDerWaalsContact O-N 3.12Å; D364-G367 PolarHBondContact OD1-N 3.43Å; D364-L369 WeakPolarHBondContact OD2-CD2 3.25Å; D364-R373 IonicContact OD1-CZ 3.24Å; D364-R373 VanDerWaalsContact OD1-CZ 3.24Å; D364-R373 IonicContact OD1-NH1 2.84Å; D364-R373 PolarHBondContact OD1-NH1 3.35Å; D364-R373 IonicContact OD1-NH2 2.77Å; D364-R373 PolarHBondContact OD1-NH2 3.07Å; D364-R373 IonicContact OD2-CZ 3.88Å; D364-R373 IonicContact OD2-NH1 2.89Å; D364-R373 PolarHBondContact OD2-NH1 3.26Å; D364-R373 IonicContact OD2-NH2 3.93Å
365	K	90.4	Very high	91.9	Very high	194 Å²	194	53.4 Å²	53.4	84%	0.843	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.9	179.9	66.8	175.5	-173.3	173.7	0	114
366	D	90.8	Very high	90.8	Very high	72 Å²	72	52.7 Å²	52.7	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	2.3	-176	-61.4	-49.2	0	0	0	112.1	D364	D364-D366 PolarHBondContact O-N 2.82Å; D364-D366 VanDerWaalsContact O-N 3.1Å; D364-D366 WeakPolarHBondContact OD1-CA 3.28Å; D364-D366 PolarHBondContact OD1-N 3.03Å
367	G	93.6	Very high	89.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.5	-144.6	174.8	0	0	0	0	0	113.6	F363 D364 R373 I393	F363-G367 CarbonylContact C-O 3.59Å; F363-G367 WeakPolarHBondContact CA-O 3.4Å; F363-G367 WeakPolarHBondContact CD2-O 3.43Å; F363-G367 VanDerWaalsContact CG-O 3.29Å; F363-G367 WeakPolarHBondContact CG-O 3.44Å; D364-G367 PolarHBondContact N-O 3.2Å; D364-G367 PolarHBondContact O-N 3.1Å; D364-G367 VanDerWaalsContact O-N 3.12Å; D364-G367 PolarHBondContact OD1-N 3.43Å; G367-R373 PolarHBondContact O-NH2 3.15Å; G367-I393 CarbonylContact C-O 3.45Å; G367-I393 VanDerWaalsContact CA-O 3.29Å; G367-I393 WeakPolarHBondContact CA-O 3.49Å
368	L	95.4	Very high	89.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.9	169.8	-174.3	71.7	0	0	0	111.1	L327 Y361 M362 F363 T370 R373 I390 I393 L403	L327-L368 HydrophobicContact CD1-CD1 4.37Å; Y361-L368 HydrophobicContact CD1-CD1 4.34Å; M362-L368 WeakPolarHBondContact O-CD1 3.33Å; F363-L368 HydrophobicContact CD2-CB 4.23Å; L368-T370 HydrophobicContact CD2-CG2 4.36Å; L368-T370 HydrophobicContact CG-CG2 4.43Å; L368-T370 PolarHBondContact O-N 3.49Å; L368-T370 VanDerWaalsContact O-N 3.07Å; L368-R373 VanDerWaalsContact O-CZ 3.23Å; L368-R373 PolarHBondContact O-NE 3.23Å; L368-R373 PolarHBondContact O-NH2 3.01Å; L368-I390 HydrophobicContact CD2-CD1 3.84Å; L368-I390 HydrophobicContact CD2-CG1 4.32Å; L368-I390 HydrophobicContact CD2-CG2 3.57Å; L368-I393 HydrophobicContact CB-CB 4.28Å; L368-I393 HydrophobicContact CD2-CD1 4.41Å; L368-I393 PolarHBondContact N-O 3.41Å; L368-L403 HydrophobicContact CD1-CD1 3.91Å; L368-L403 HydrophobicContact CD2-CD1 4.35Å
369	L	94.6	Very high	88.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.			trans	-63.5	110.1	178.9	-62.1	-171.7	0	0	0	109.8	A331 M362 D364 L378 N382 F385 A386 R387	A331-L369 HydrophobicContact CB-CD1 4.47Å; A331-L369 HydrophobicContact CB-CD2 4.48Å; M362-L369 HydrophobicContact CB-CD1 3.54Å; M362-L369 HydrophobicContact CB-CG 3.84Å; M362-L369 HydrophobicContact CG-CD1 4.2Å; M362-L369 WeakPolarHBondContact O-CG 3.38Å; M362-L369 PolarHBondContact O-N 3.2Å; M362-L369 HydrophobicContact SD-CD1 3.96Å; D364-L369 WeakPolarHBondContact OD2-CD2 3.25Å; L369-L378 HydrophobicContact CB-CD2 4.29Å; L369-L378 HydrophobicContact CD2-CD2 3.55Å; L369-L378 HydrophobicContact CG-CD2 4.36Å; L369-N382 HydrophobicContact CD1-CB 3.84Å; L369-F385 HydrophobicContact CD1-CB 4.32Å; L369-A386 HydrophobicContact CB-CB 4.46Å; L369-A386 WeakPolarHBondContact O-CA 3.03Å; L369-R387 PolarHBondContact O-N 2.93Å
370	T	93.8	Very high	87.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-134.5	150.8	175.1	65.7	0	0	0	0	109.7	L368 S372 R373 R387 I390	L368-T370 HydrophobicContact CD2-CG2 4.36Å; L368-T370 HydrophobicContact CG-CG2 4.43Å; L368-T370 PolarHBondContact O-N 3.49Å; L368-T370 VanDerWaalsContact O-N 3.07Å; T370-S372 PolarHBondContact O-N 2.86Å; T370-S372 PolarHBondContact OG1-OG 2.89Å; T370-R373 WeakPolarHBondContact O-CB 3.46Å; T370-R373 VanDerWaalsContact O-CG 3.31Å; T370-R373 WeakPolarHBondContact O-CG 3Å; T370-R373 PolarHBondContact O-N 3.33Å; T370-R387 CarbonylContact C-O 3.48Å; T370-R387 WeakPolarHBondContact CA-O 3.13Å; T370-R387 VanDerWaalsContact CB-O 3.31Å; T370-R387 WeakPolarHBondContact CB-O 3.23Å; T370-R387 HydrophobicContact CG2-CB 4.32Å; T370-I390 HydrophobicContact CG2-CG2 3.88Å
371	H	88	Confident	86.6	Confident	94 Å²	94	60.2 Å²	60.2	44%	0.435	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.1	174.2	-70.8	-73.6	0	0	0	112.6	R373 R387 D388	H371-R373 PolarHBondContact O-N 2.91Å; H371-R387 PolarHBondContact N-O 2.73Å; H371-D388 VanDerWaalsContact CB-OD1 3.22Å; H371-D388 WeakPolarHBondContact CB-OD1 3.45Å; H371-D388 VanDerWaalsContact CD2-CG 3.5Å; H371-D388 IonicContact CD2-OD1 3.61Å; H371-D388 PolarHBondContact CD2-OD1 3.27Å; H371-D388 IonicContact CD2-OD2 3.68Å; H371-D388 IonicContact CG-OD1 2.73Å
372	S	85.1	Confident	86	Confident	81 Å²	81	59 Å²	59	57%	0.566	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.4	174.4	75.4	0	0	0	0	114.7	T370	T370-S372 PolarHBondContact O-N 2.86Å; T370-S372 PolarHBondContact OG1-OG 2.89Å
373	R	84.9	Confident	85.6	Confident	20 Å²	20	63.5 Å²	63.5	8%	0.075	34%	0.337	C	S	.	.	S	Bend	trans	-67.5	167	175.7	-72.1	178.4	169.9	-152.6	-0.1	112.3	D364 G367 L368 T370 H371 E375 S377	D364-R373 IonicContact OD1-CZ 3.24Å; D364-R373 VanDerWaalsContact OD1-CZ 3.24Å; D364-R373 IonicContact OD1-NH1 2.84Å; D364-R373 PolarHBondContact OD1-NH1 3.35Å; D364-R373 IonicContact OD1-NH2 2.77Å; D364-R373 PolarHBondContact OD1-NH2 3.07Å; D364-R373 IonicContact OD2-CZ 3.88Å; D364-R373 IonicContact OD2-NH1 2.89Å; D364-R373 PolarHBondContact OD2-NH1 3.26Å; D364-R373 IonicContact OD2-NH2 3.93Å; G367-R373 PolarHBondContact O-NH2 3.15Å; L368-R373 VanDerWaalsContact O-CZ 3.23Å; L368-R373 PolarHBondContact O-NE 3.23Å; L368-R373 PolarHBondContact O-NH2 3.01Å; T370-R373 WeakPolarHBondContact O-CB 3.46Å; T370-R373 VanDerWaalsContact O-CG 3.31Å; T370-R373 WeakPolarHBondContact O-CG 3Å; T370-R373 PolarHBondContact O-N 3.33Å; H371-R373 PolarHBondContact O-N 2.91Å; R373-E375 PolarHBondContact O-N 3.22Å; R373-S377 WeakPolarHBondContact CB-OG 3.42Å
374	Q	78.4	Confident	85.3	Confident	168 Å²	168	66.6 Å²	66.6	79%	0.785	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-58.7	134	173.8	-174	175.3	-5.3	0	0	110.6	G376 S377	Q374-G376 PolarHBondContact O-N 2.68Å; Q374-S377 WeakPolarHBondContact O-CB 3.45Å; Q374-S377 PolarHBondContact O-N 3.11Å; Q374-S377 VanDerWaalsContact O-N 3.09Å; Q374-S377 PolarHBondContact O-OG 2.87Å
375	E	70.1	Confident	85.3	Confident	192 Å²	192	65.6 Å²	65.6	90%	0.897	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	134.6	176.9	-168.3	171.4	-168.8	0	0	111.2	R373	R373-E375 PolarHBondContact O-N 3.22Å
376	G	72.3	Confident	85.5	Confident	77 Å²	77	57 Å²	57	79%	0.794	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-5.1	-175.7	0	0	0	0	0	115.8	Q374 L378	Q374-G376 PolarHBondContact O-N 2.68Å; G376-L378 VanDerWaalsContact C-N 3.31Å; G376-L378 PolarHBondContact O-N 2.84Å
377	S	77	Confident	85.6	Confident	35 Å²	35	54.8 Å²	54.8	25%	0.245	30%	0.303	C	S	.	.			trans	-78.8	-12.3	176.7	75.1	0	0	0	0	114.2	R373 Q374	R373-S377 WeakPolarHBondContact CB-OG 3.42Å; Q374-S377 WeakPolarHBondContact O-CB 3.45Å; Q374-S377 PolarHBondContact O-N 3.11Å; Q374-S377 VanDerWaalsContact O-N 3.09Å; Q374-S377 PolarHBondContact O-OG 2.87Å
378	L	81.1	Confident	85.4	Confident	27 Å²	27	61.1 Å²	61.1	14%	0.141	34%	0.337	C	S	.	.	S	Bend	trans	-106	128.1	-179.5	-64.1	175.4	0	0	0	109.8	L369 G376 K383 A386	L369-L378 HydrophobicContact CB-CD2 4.29Å; L369-L378 HydrophobicContact CD2-CD2 3.55Å; L369-L378 HydrophobicContact CG-CD2 4.36Å; G376-L378 VanDerWaalsContact C-N 3.31Å; G376-L378 PolarHBondContact O-N 2.84Å; L378-K383 HydrophobicContact CB-CG 4.04Å; L378-K383 HydrophobicContact CD1-CG 4.47Å; L378-A386 HydrophobicContact CD1-CB 3.79Å
379	T	80.1	Confident	85.1	Confident	75 Å²	75	66.2 Å²	66.2	46%	0.46	36%	0.364	S	S	.	.			trans	-71.1	157.1	166.2	63.8	0	0	0	0	109.9	H381 N382 K383	T379-H381 VanDerWaalsContact C-N 3.28Å; T379-H381 PolarHBondContact O-N 3.5Å; T379-N382 PolarHBondContact O-N 3.43Å; T379-N382 VanDerWaalsContact OG1-CB 3.27Å; T379-N382 WeakPolarHBondContact OG1-CB 3.47Å; T379-N382 PolarHBondContact OG1-N 2.91Å; T379-N382 PolarHBondContact OG1-ND2 3.41Å; T379-N382 VanDerWaalsContact OG1-ND2 3.15Å; T379-K383 WeakPolarHBondContact O-CG 3.46Å; T379-K383 PolarHBondContact O-N 2.9Å; T379-K383 VanDerWaalsContact O-N 3.09Å
380	D	79.2	Confident	85	Confident	114 Å²	114	67.6 Å²	67.6	61%	0.61	37%	0.371	S	S	*	.	H	α-helix	trans	-57.6	-40.9	-179.9	-69.2	-35.5	0	0	0	112.4	N382 K383	D380-N382 VanDerWaalsContact C-N 3.29Å; D380-N382 PolarHBondContact O-N 2.99Å; D380-K383 WeakPolarHBondContact O-CB 3.47Å; D380-K383 PolarHBondContact O-N 2.99Å; D380-K383 WeakPolarHBondContact OD1-CE 3.35Å; D380-K383 IonicContact OD1-NZ 3.07Å; D380-K383 PolarHBondContact OD1-NZ 3Å
381	H	78.8	Confident	84.8	Confident	42 Å²	42	73.3 Å²	73.3	19%	0.194	40%	0.398	C	S	.	.	H	α-helix	trans	-67.1	-28	176.7	-48.9	-64.8	0	0	0	113.5	F282 E286 T336 T379	F282-H381 WeakPolarHBondContact CB-NE2 3.19Å; F282-H381 AromaticContact CD2-CD2 3.64Å; F282-H381 AromaticContact CD2-CG 3.99Å; F282-H381 HydrophobicContact CE2-CB 4.48Å; F282-H381 AromaticContact CG-CD2 3.72Å; F282-H381 AromaticContact CG-CE1 3.99Å; F282-H381 AromaticContact CG-CG 3.97Å; F282-H381 AromaticContact CG-NE2 3.77Å; E286-H381 IonicContact OE1-CE1 3.65Å; E286-H381 PolarHBondContact OE1-CE1 3.04Å; E286-H381 IonicContact OE1-ND1 3.82Å; E286-H381 PolarHBondContact OE1-ND1 3.29Å; E286-H381 IonicContact OE2-CE1 3.14Å; T336-H381 HydrophobicContact CG2-CB 3.84Å; T379-H381 VanDerWaalsContact C-N 3.28Å; T379-H381 PolarHBondContact O-N 3.5Å
382	N	85.8	Confident	84.8	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.032	39%	0.391	C	S	.	.	H	α-helix	trans	-82.9	-20.4	178.7	-75	-10.8	0	0	0	112.8	A331 T336 L369 T379 D380 V384 F385 A386	A331-N382 WeakPolarHBondContact CB-ND2 3.46Å; A331-N382 PolarHBondContact O-ND2 3.5Å; T336-N382 PolarHBondContact OG1-OD1 3.05Å; T336-N382 VanDerWaalsContact OG1-OD1 3.05Å; L369-N382 HydrophobicContact CD1-CB 3.84Å; T379-N382 PolarHBondContact O-N 3.43Å; T379-N382 VanDerWaalsContact OG1-CB 3.27Å; T379-N382 WeakPolarHBondContact OG1-CB 3.47Å; T379-N382 PolarHBondContact OG1-N 2.91Å; T379-N382 PolarHBondContact OG1-ND2 3.41Å; T379-N382 VanDerWaalsContact OG1-ND2 3.15Å; D380-N382 VanDerWaalsContact C-N 3.29Å; D380-N382 PolarHBondContact O-N 2.99Å; N382-V384 PolarHBondContact O-N 3.44Å; N382-F385 PolarHBondContact O-N 2.89Å; N382-F385 VanDerWaalsContact O-N 3.09Å; N382-A386 PolarHBondContact O-N 3.02Å
383	K	88	Confident	85.2	Confident	97 Å²	97	68.3 Å²	68.3	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-34.1	179.8	-74.6	174.1	-174.2	168	0	112.4	L378 T379 D380 F385 A386	L378-K383 HydrophobicContact CB-CG 4.04Å; L378-K383 HydrophobicContact CD1-CG 4.47Å; T379-K383 WeakPolarHBondContact O-CG 3.46Å; T379-K383 PolarHBondContact O-N 2.9Å; T379-K383 VanDerWaalsContact O-N 3.09Å; D380-K383 WeakPolarHBondContact O-CB 3.47Å; D380-K383 PolarHBondContact O-N 2.99Å; D380-K383 WeakPolarHBondContact OD1-CE 3.35Å; D380-K383 IonicContact OD1-NZ 3.07Å; D380-K383 PolarHBondContact OD1-NZ 3Å; K383-F385 PolarHBondContact O-N 3.28Å; K383-A386 WeakPolarHBondContact O-CB 3.32Å; K383-A386 PolarHBondContact O-N 3.42Å; K383-A386 VanDerWaalsContact O-N 3.15Å
384	V	90.6	Very high	85.7	Confident	79 Å²	79	76.4 Å²	76.4	48%	0.479	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.7	179	-178.5	0	0	0	0	112.3	L357 N382	L357-V384 HydrophobicContact CD1-CG1 3.9Å; L357-V384 HydrophobicContact CD2-CG1 3.95Å; N382-V384 PolarHBondContact O-N 3.44Å
385	F	93.5	Very high	86.5	Confident	5 Å²	5	74.7 Å²	74.7	2%	0.022	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	1.8	179.1	-57.5	-70.1	0	0	0	113.4	T336 A339 Q340 L357 I360 M362 L369 N382 K383	T336-F385 HydrophobicContact CG2-CE2 4.17Å; A339-F385 HydrophobicContact CB-CD1 4.34Å; A339-F385 HydrophobicContact CB-CD2 4.39Å; A339-F385 HydrophobicContact CB-CE1 3.78Å; A339-F385 HydrophobicContact CB-CE2 3.83Å; A339-F385 HydrophobicContact CB-CZ 3.5Å; Q340-F385 HydrophobicContact CG-CE2 3.98Å; Q340-F385 HydrophobicContact CG-CZ 3.87Å; L357-F385 HydrophobicContact CD2-CD1 3.91Å; L357-F385 HydrophobicContact CD2-CE1 3.62Å; I360-F385 HydrophobicContact CB-CD1 4.29Å; I360-F385 HydrophobicContact CD1-CE1 4.19Å; I360-F385 HydrophobicContact CG2-CD1 3.76Å; I360-F385 HydrophobicContact CG2-CE1 4.1Å; M362-F385 HydrophobicContact CG-CB 4Å; M362-F385 HydrophobicContact CG-CG 4.32Å; M362-F385 HydrophobicContact SD-CB 3.65Å; M362-F385 HydrophobicContact SD-CD2 3.47Å; M362-F385 WeakPolarHBondContact SD-CD2 3.48Å; M362-F385 HydrophobicContact SD-CE2 4.27Å; M362-F385 HydrophobicContact SD-CG 3.63Å; L369-F385 HydrophobicContact CD1-CB 4.32Å; N382-F385 PolarHBondContact O-N 2.89Å; N382-F385 VanDerWaalsContact O-N 3.09Å; K383-F385 PolarHBondContact O-N 3.28Å
386	A	93.5	Very high	87.8	Confident	12 Å²	12	66 Å²	66	10%	0.099	35%	0.348	C	S	.	.			trans	-71.2	141.7	175.6	0	0	0	0	0	110.6	L369 L378 N382 K383	L369-A386 HydrophobicContact CB-CB 4.46Å; L369-A386 WeakPolarHBondContact O-CA 3.03Å; L378-A386 HydrophobicContact CD1-CB 3.79Å; N382-A386 PolarHBondContact O-N 3.02Å; K383-A386 WeakPolarHBondContact O-CB 3.32Å; K383-A386 PolarHBondContact O-N 3.42Å; K383-A386 VanDerWaalsContact O-N 3.15Å
387	R	93.1	Very high	89.1	Confident	27 Å²	27	66.1 Å²	66.1	10%	0.102	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-102.6	143	-175.7	-54.2	-57.7	-62.3	-171.9	-3.4	112.4	L357 Y361 L369 T370 H371 D389 I390	L357-R387 PolarHBondContact O-NH1 2.97Å; Y361-R387 HydrophobicContact CD1-CG 3.95Å; Y361-R387 HydrophobicContact CE1-CG 4.07Å; L369-R387 PolarHBondContact O-N 2.93Å; T370-R387 CarbonylContact C-O 3.48Å; T370-R387 WeakPolarHBondContact CA-O 3.13Å; T370-R387 VanDerWaalsContact CB-O 3.31Å; T370-R387 WeakPolarHBondContact CB-O 3.23Å; T370-R387 HydrophobicContact CG2-CB 4.32Å; H371-R387 PolarHBondContact N-O 2.73Å; R387-D389 IonicContact CZ-OD1 3.02Å; R387-D389 IonicContact CZ-OD2 2.72Å; R387-D389 IonicContact NE-OD1 3.41Å; R387-D389 PolarHBondContact NE-OD1 3.3Å; R387-D389 IonicContact NE-OD2 3.56Å; R387-D389 IonicContact NH2-OD1 3.33Å; R387-D389 PolarHBondContact NH2-OD1 2.94Å; R387-D389 IonicContact NH2-OD2 3.41Å; R387-D389 PolarHBondContact NH2-OD2 3.07Å; R387-I390 HydrophobicContact CB-CG2 3.56Å; R387-I390 HydrophobicContact CG-CG2 4.09Å
388	D	89.9	Confident	90	Very high	133 Å²	133	68 Å²	68	71%	0.711	34%	0.335	S	S	*	.	S	Bend	trans	-106.5	-17.9	170	-71.6	-42.8	0	0	0	112.9	H371	H371-D388 VanDerWaalsContact CB-OD1 3.22Å; H371-D388 WeakPolarHBondContact CB-OD1 3.45Å; H371-D388 VanDerWaalsContact CD2-CG 3.5Å; H371-D388 IonicContact CD2-OD1 3.61Å; H371-D388 PolarHBondContact CD2-OD1 3.27Å; H371-D388 IonicContact CD2-OD2 3.68Å; H371-D388 IonicContact CG-OD1 2.73Å
389	D	90.1	Very high	90.8	Very high	107 Å²	107	66.8 Å²	66.8	57%	0.572	33%	0.328	S	S	*	.	S	Bend	trans	-92.1	4.9	-171.3	62.2	-30	0	0	0	113.7	R387	R387-D389 IonicContact CZ-OD1 3.02Å; R387-D389 IonicContact CZ-OD2 2.72Å; R387-D389 IonicContact NE-OD1 3.41Å; R387-D389 PolarHBondContact NE-OD1 3.3Å; R387-D389 IonicContact NE-OD2 3.56Å; R387-D389 IonicContact NH2-OD1 3.33Å; R387-D389 PolarHBondContact NH2-OD1 2.94Å; R387-D389 IonicContact NH2-OD2 3.41Å; R387-D389 PolarHBondContact NH2-OD2 3.07Å
390	I	91.2	Very high	91.7	Very high	28 Å²	28	63.2 Å²	63.2	14%	0.144	31%	0.306	C	S	.	.	S	Bend	trans	-141.4	146.1	-177.3	-164.8	166.2	0	0	0	112.1	L368 T370 R387 I393 K402 L403	L368-I390 HydrophobicContact CD2-CD1 3.84Å; L368-I390 HydrophobicContact CD2-CG1 4.32Å; L368-I390 HydrophobicContact CD2-CG2 3.57Å; T370-I390 HydrophobicContact CG2-CG2 3.88Å; R387-I390 HydrophobicContact CB-CG2 3.56Å; R387-I390 HydrophobicContact CG-CG2 4.09Å; I390-I393 HydrophobicContact CD1-CD1 3.77Å; I390-I393 HydrophobicContact CG1-CD1 4.18Å; I390-K402 HydrophobicContact CD1-CG 4.41Å; I390-L403 HydrophobicContact CD1-CD2 3.33Å; I390-L403 HydrophobicContact CD1-CG 4.24Å
391	E	89.3	Confident	92.6	Very high	121 Å²	121	63.2 Å²	63.2	57%	0.565	30%	0.303	S	S	*	.			trans	-63.7	159.5	174.8	66.7	-151	169.7	0	0	112.7	I393 K402	E391-I393 HydrophobicContact CG-CG1 4.02Å; E391-I393 PolarHBondContact O-N 3.18Å; E391-K402 IonicContact OE1-NZ 3.7Å
392	N	89.1	Confident	93.5	Very high	57 Å²	57	67.2 Å²	67.2	31%	0.305	32%	0.32	S	S	.	.			trans	-70.4	98.5	176.8	-172.3	3.9	0	0	0	110.8
393	I	94.1	Very high	94	Very high	12 Å²	12	67.7 Å²	67.7	6%	0.062	32%	0.322	C	S	.	.			trans	-92.6	119.2	176.8	-59.1	173.8	0	0	0	109.6	G367 L368 I390 E391 K395 D398 A399 K402	G367-I393 CarbonylContact C-O 3.45Å; G367-I393 VanDerWaalsContact CA-O 3.29Å; G367-I393 WeakPolarHBondContact CA-O 3.49Å; L368-I393 HydrophobicContact CB-CB 4.28Å; L368-I393 HydrophobicContact CD2-CD1 4.41Å; L368-I393 PolarHBondContact N-O 3.41Å; I390-I393 HydrophobicContact CD1-CD1 3.77Å; I390-I393 HydrophobicContact CG1-CD1 4.18Å; E391-I393 HydrophobicContact CG-CG1 4.02Å; E391-I393 PolarHBondContact O-N 3.18Å; I393-K395 WeakPolarHBondContact CG2-O 3.36Å; I393-D398 HydrophobicContact CG2-CB 3.78Å; I393-A399 HydrophobicContact CG2-CB 3.86Å; I393-K402 HydrophobicContact CD1-CB 4.11Å; I393-K402 HydrophobicContact CD1-CG 4.09Å
394	R	93.8	Very high	94.5	Very high	191 Å²	191	69.1 Å²	69.1	72%	0.721	33%	0.329	S	S	*	.			trans	-98.6	-18.4	-177.7	-68.7	-169.7	179.8	-171.2	-1.1	115.4	F363	F363-R394 WeakPolarHBondContact CZ-O 3.39Å
395	K	96.2	Very high	94.9	Very high	132 Å²	132	65.4 Å²	65.4	57%	0.574	31%	0.306	S	S	*	.			trans	-102.4	137	177.4	-64.1	-176.8	-178.2	174.1	0	109.8	I393 D398 A399	I393-K395 WeakPolarHBondContact CG2-O 3.36Å; K395-D398 HydrophobicContact CB-CB 4.22Å; K395-D398 WeakPolarHBondContact CB-OD2 3.35Å; K395-D398 PolarHBondContact O-N 2.95Å; K395-A399 PolarHBondContact O-N 3.28Å
396	L	97.7	Very high	95.1	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-39.7	-177.6	179.8	59.2	0	0	0	111.4	L327 V329 F363 D398 A399 V400 I417 I422	L327-L396 HydrophobicContact CD2-CD1 4.06Å; V329-L396 HydrophobicContact CG1-CD2 3.84Å; V329-L396 HydrophobicContact CG2-CD1 3.64Å; V329-L396 HydrophobicContact CG2-CD2 4.02Å; V329-L396 HydrophobicContact CG2-CG 4.49Å; F363-L396 HydrophobicContact CB-CD1 4.33Å; F363-L396 HydrophobicContact CD1-CD1 4.09Å; F363-L396 HydrophobicContact CD2-CD1 4.11Å; F363-L396 HydrophobicContact CE1-CB 4.07Å; F363-L396 HydrophobicContact CE1-CD1 4.45Å; F363-L396 HydrophobicContact CE2-CB 4.34Å; F363-L396 HydrophobicContact CE2-CD1 4.46Å; F363-L396 HydrophobicContact CG-CD1 3.92Å; F363-L396 HydrophobicContact CZ-CB 3.96Å; L396-D398 VanDerWaalsContact C-N 3.33Å; L396-D398 PolarHBondContact O-N 3.09Å; L396-A399 WeakPolarHBondContact O-CB 3.44Å; L396-A399 PolarHBondContact O-N 3.49Å; L396-A399 VanDerWaalsContact O-N 3.16Å; L396-V400 HydrophobicContact CD1-CG2 4.19Å; L396-V400 HydrophobicContact CG-CG2 4.35Å; L396-V400 VanDerWaalsContact O-CG2 3.29Å; L396-V400 WeakPolarHBondContact O-CG2 3.39Å; L396-V400 PolarHBondContact O-N 2.93Å; L396-I417 HydrophobicContact CD2-CD1 3.96Å; L396-I417 HydrophobicContact CD2-CG1 4Å; L396-I422 HydrophobicContact CB-CD1 4.31Å; L396-I422 HydrophobicContact CD2-CD1 3.65Å; L396-I422 HydrophobicContact CG-CD1 3.78Å
397	E	98	Very high	95.4	Very high	79 Å²	79	65.1 Å²	65.1	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-54.7	-48.6	175.2	-69.5	78.1	-177.7	0	0	111.8	A399 V400 E401 T419 I422	E397-A399 VanDerWaalsContact C-N 3.29Å; E397-A399 PolarHBondContact O-N 3.07Å; E397-V400 PolarHBondContact O-N 3.08Å; E397-E401 PolarHBondContact O-N 3.49Å; E397-T419 PolarHBondContact OE1-OG1 3.03Å; E397-I422 HydrophobicContact CG-CD1 4.27Å; E397-I422 HydrophobicContact CG-CG1 3.92Å
398	D	97.6	Very high	95.7	Very high	76 Å²	76	63.9 Å²	63.9	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-38.9	179.5	-60.5	-11.1	0	0	0	110.7	I393 K395 L396 E401 K402	I393-D398 HydrophobicContact CG2-CB 3.78Å; K395-D398 HydrophobicContact CB-CB 4.22Å; K395-D398 WeakPolarHBondContact CB-OD2 3.35Å; K395-D398 PolarHBondContact O-N 2.95Å; L396-D398 VanDerWaalsContact C-N 3.33Å; L396-D398 PolarHBondContact O-N 3.09Å; D398-E401 PolarHBondContact O-N 3.31Å; D398-K402 WeakPolarHBondContact O-CB 3.48Å; D398-K402 PolarHBondContact O-N 3.22Å
399	A	97.7	Very high	96.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-44.7	176.6	0	0	0	0	0	111.4	F363 I393 K395 L396 E397 E401 K402 L403	F363-A399 HydrophobicContact CD2-CB 4.13Å; F363-A399 HydrophobicContact CE2-CB 4.28Å; I393-A399 HydrophobicContact CG2-CB 3.86Å; K395-A399 PolarHBondContact O-N 3.28Å; L396-A399 WeakPolarHBondContact O-CB 3.44Å; L396-A399 PolarHBondContact O-N 3.49Å; L396-A399 VanDerWaalsContact O-N 3.16Å; E397-A399 VanDerWaalsContact C-N 3.29Å; E397-A399 PolarHBondContact O-N 3.07Å; A399-E401 VanDerWaalsContact C-N 3.35Å; A399-E401 PolarHBondContact O-N 2.89Å; A399-K402 PolarHBondContact O-N 3.31Å; A399-L403 HydrophobicContact CB-CD1 4.31Å; A399-L403 WeakPolarHBondContact O-CB 3.08Å; A399-L403 VanDerWaalsContact O-CG 3.22Å; A399-L403 WeakPolarHBondContact O-CG 3.39Å; A399-L403 PolarHBondContact O-N 2.8Å
400	V	98.5	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-37.9	178.6	177.3	0	0	0	0	111.4	L327 L396 E397 K404 P405 I408 I422 Q425 M426 N429	L327-V400 HydrophobicContact CD2-CG2 3.59Å; L396-V400 HydrophobicContact CD1-CG2 4.19Å; L396-V400 HydrophobicContact CG-CG2 4.35Å; L396-V400 VanDerWaalsContact O-CG2 3.29Å; L396-V400 WeakPolarHBondContact O-CG2 3.39Å; L396-V400 PolarHBondContact O-N 2.93Å; E397-V400 PolarHBondContact O-N 3.08Å; V400-K404 PolarHBondContact O-N 3.45Å; V400-P405 HydrophobicContact CG1-CG 4.26Å; V400-P405 VanDerWaalsContact O-CD 3.26Å; V400-P405 WeakPolarHBondContact O-CD 3.44Å; V400-I408 HydrophobicContact CG2-CD1 4.12Å; V400-I422 HydrophobicContact CG1-CG2 4.43Å; V400-I422 HydrophobicContact CG2-CG2 4.09Å; V400-Q425 HydrophobicContact CG1-CB 3.97Å; V400-Q425 HydrophobicContact CG1-CG 3.79Å; V400-M426 HydrophobicContact CG1-CG 4.33Å; V400-M426 HydrophobicContact CG1-SD 3.92Å; V400-N429 PolarHBondContact O-ND2 3.33Å
401	E	98	Very high	96.6	Very high	115 Å²	115	52 Å²	52	54%	0.537	24%	0.238	S	C	.	.	H	α-helix	trans	-69.2	-44.4	176.3	-177	170.9	-159.3	0	0	112.1	E397 D398 A399 K404 Q425	E397-E401 PolarHBondContact O-N 3.49Å; D398-E401 PolarHBondContact O-N 3.31Å; A399-E401 VanDerWaalsContact C-N 3.35Å; A399-E401 PolarHBondContact O-N 2.89Å; E401-K404 WeakPolarHBondContact O-CG 3.33Å; E401-Q425 HydrophobicContact CB-CG 4.22Å
402	K	97.3	Very high	96.7	Very high	125 Å²	125	48.3 Å²	48.3	54%	0.543	23%	0.226	S	C	.	.	H	α-helix	trans	-73	-50	-176.2	-174.5	72.8	174.3	-149.7	0	112.9	I390 E391 I393 D398 A399 K404	I390-K402 HydrophobicContact CD1-CG 4.41Å; E391-K402 IonicContact OE1-NZ 3.7Å; I393-K402 HydrophobicContact CD1-CB 4.11Å; I393-K402 HydrophobicContact CD1-CG 4.09Å; D398-K402 WeakPolarHBondContact O-CB 3.48Å; D398-K402 PolarHBondContact O-N 3.22Å; A399-K402 PolarHBondContact O-N 3.31Å; K402-K404 VanDerWaalsContact C-N 3.29Å; K402-K404 PolarHBondContact O-N 2.87Å
403	L	97.4	Very high	96.8	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-74.5	-22.9	-175.4	-64.4	175.1	0	0	0	112.6	L327 Y361 L368 I390 A399	L327-L403 HydrophobicContact CD1-CD1 4.04Å; Y361-L403 HydrophobicContact CD1-CD1 3.84Å; Y361-L403 HydrophobicContact CD1-CD2 3.62Å; Y361-L403 HydrophobicContact CD1-CG 4.37Å; Y361-L403 HydrophobicContact CD2-CD1 4.3Å; Y361-L403 HydrophobicContact CD2-CD2 4.35Å; Y361-L403 HydrophobicContact CE1-CD1 4.49Å; Y361-L403 HydrophobicContact CE1-CD2 3.41Å; Y361-L403 VanDerWaalsContact CE1-CD2 3.41Å; Y361-L403 HydrophobicContact CE2-CD2 4.2Å; Y361-L403 HydrophobicContact CG-CD1 3.73Å; Y361-L403 HydrophobicContact CG-CD2 4.09Å; Y361-L403 HydrophobicContact CG-CG 4.48Å; L368-L403 HydrophobicContact CD1-CD1 3.91Å; L368-L403 HydrophobicContact CD2-CD1 4.35Å; I390-L403 HydrophobicContact CD1-CD2 3.33Å; I390-L403 HydrophobicContact CD1-CG 4.24Å; A399-L403 HydrophobicContact CB-CD1 4.31Å; A399-L403 WeakPolarHBondContact O-CB 3.08Å; A399-L403 VanDerWaalsContact O-CG 3.22Å; A399-L403 WeakPolarHBondContact O-CG 3.39Å; A399-L403 PolarHBondContact O-N 2.8Å
404	K	98.3	Very high	96.7	Very high	127 Å²	127	52 Å²	52	55%	0.552	25%	0.25	S	S	*	.			trans	50.4	50.7	-175.6	-56.8	-179.5	-178.3	179.7	0	113.2	V400 E401 K402 N429	V400-K404 PolarHBondContact O-N 3.45Å; E401-K404 WeakPolarHBondContact O-CG 3.33Å; K402-K404 VanDerWaalsContact C-N 3.29Å; K402-K404 PolarHBondContact O-N 2.87Å; K404-N429 WeakPolarHBondContact CA-ND2 3.45Å; K404-N429 HydrophobicContact CB-CB 4.22Å
405	P	98.5	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.			trans	-61.8	142.2	-178.7	27.9	-33.4	0	0	0	110.9	I325 L327 V400 M426 N429	I325-P405 HydrophobicContact CG2-CB 4.33Å; L327-P405 HydrophobicContact CB-CB 3.71Å; L327-P405 HydrophobicContact CB-CG 3.87Å; L327-P405 HydrophobicContact CD2-CG 3.99Å; V400-P405 HydrophobicContact CG1-CG 4.26Å; V400-P405 VanDerWaalsContact O-CD 3.26Å; V400-P405 WeakPolarHBondContact O-CD 3.44Å; P405-M426 HydrophobicContact CB-SD 4.5Å; P405-M426 HydrophobicContact CG-SD 3.81Å; P405-M426 WeakPolarHBondContact O-CE 3.36Å; P405-N429 WeakPolarHBondContact O-CB 3.43Å
406	T	98.7	Very high	96.7	Very high	12 Å²	12	40 Å²	40	7%	0.074	22%	0.223	C	C	.	.	S	Bend	trans	-91.4	-20	171.9	59.5	0	0	0	0	111.4	R319 N324 I325 I434	R319-T406 VanDerWaalsContact NH1-CG2 3.29Å; N324-T406 VanDerWaalsContact CA-OG1 3.25Å; N324-T406 WeakPolarHBondContact CA-OG1 3.37Å; N324-T406 VanDerWaalsContact CB-OG1 3.31Å; N324-T406 WeakPolarHBondContact CB-OG1 3.45Å; N324-T406 PolarHBondContact OD1-OG1 3.49Å; I325-T406 PolarHBondContact N-OG1 2.97Å; I325-T406 PolarHBondContact O-N 2.78Å; I325-T406 PolarHBondContact O-OG1 2.96Å; T406-I434 PolarHBondContact O-N 2.91Å
407	V	98.9	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.7	178.3	-174.6	0	0	0	0	108.9	L310 N324 I325 Y326 L327 I409 I434	L310-V407 HydrophobicContact CD2-CG1 3.6Å; N324-V407 HydrophobicContact CB-CG2 3.86Å; I325-V407 PolarHBondContact O-N 3.44Å; I325-V407 VanDerWaalsContact O-N 3.08Å; Y326-V407 HydrophobicContact CD1-CB 3.63Å; Y326-V407 HydrophobicContact CD1-CG1 3.75Å; Y326-V407 HydrophobicContact CD1-CG2 3.88Å; Y326-V407 HydrophobicContact CE1-CB 4.03Å; Y326-V407 HydrophobicContact CE1-CG1 4.12Å; Y326-V407 HydrophobicContact CE1-CG2 3.76Å; Y326-V407 HydrophobicContact CG-CB 4.44Å; L327-V407 PolarHBondContact N-O 2.92Å; V407-I409 HydrophobicContact CG1-CD1 4.05Å; V407-I409 HydrophobicContact CG1-CG1 3.87Å; V407-I434 WeakPolarHBondContact CA-O 3.25Å; V407-I434 HydrophobicContact CB-CB 4.32Å; V407-I434 HydrophobicContact CG1-CB 4.04Å; V407-I434 HydrophobicContact CG1-CG2 4.08Å; V407-I434 HydrophobicContact CG2-CB 4Å; V407-I434 HydrophobicContact CG2-CD1 3.9Å; V407-I434 HydrophobicContact CG2-CG1 4.32Å
408	I	98.8	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	169.5	-163.8	174.5	0	0	0	109.7	L327 V329 V400 F418 I422 M426 I434 I435 F436	L327-I408 HydrophobicContact CB-CG1 4.45Å; L327-I408 HydrophobicContact CD2-CD1 4.31Å; L327-I408 HydrophobicContact CD2-CG1 4.45Å; L327-I408 HydrophobicContact CG-CG1 4.48Å; L327-I408 CarbonylContact O-C 3.47Å; L327-I408 WeakPolarHBondContact O-CA 3.49Å; V329-I408 HydrophobicContact CG2-CD1 4.05Å; V329-I408 HydrophobicContact CG2-CG1 4.03Å; V400-I408 HydrophobicContact CG2-CD1 4.12Å; I408-F418 HydrophobicContact CB-CZ 4.46Å; I408-F418 HydrophobicContact CD1-CD1 3.96Å; I408-F418 HydrophobicContact CD1-CE1 3.51Å; I408-F418 HydrophobicContact CD1-CE2 4.48Å; I408-F418 HydrophobicContact CD1-CZ 3.8Å; I408-F418 HydrophobicContact CG1-CE1 3.86Å; I408-F418 HydrophobicContact CG1-CE2 4.34Å; I408-F418 HydrophobicContact CG1-CZ 3.65Å; I408-F418 HydrophobicContact CG2-CE2 4.03Å; I408-F418 HydrophobicContact CG2-CZ 4.2Å; I408-I422 HydrophobicContact CD1-CG2 3.94Å; I408-M426 HydrophobicContact CB-CE 3.85Å; I408-M426 HydrophobicContact CB-SD 3.92Å; I408-M426 HydrophobicContact CG2-CE 3.83Å; I408-M426 HydrophobicContact CG2-CG 4.14Å; I408-M426 HydrophobicContact CG2-SD 4.01Å; I408-I434 PolarHBondContact N-O 2.99Å; I408-I435 HydrophobicContact CG2-CB 4.24Å; I408-I435 HydrophobicContact CG2-CG1 4.07Å; I408-I435 HydrophobicContact CG2-CG2 3.99Å; I408-F436 PolarHBondContact O-N 2.83Å
409	I	98.7	Very high	96.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.7	-175.9	-57.9	167.1	0	0	0	108.5	T306 L310 L327 F328 V329 V407 F436 L438	T306-I409 HydrophobicContact CG2-CD1 4.39Å; L310-I409 HydrophobicContact CD1-CD1 4.09Å; L310-I409 HydrophobicContact CD2-CD1 4.32Å; L327-I409 PolarHBondContact O-N 3.22Å; F328-I409 CarbonylContact C-O 3.45Å; F328-I409 WeakPolarHBondContact CA-O 3.17Å; F328-I409 HydrophobicContact CD1-CB 3.92Å; F328-I409 HydrophobicContact CD1-CD1 4.27Å; F328-I409 HydrophobicContact CD1-CG2 4.01Å; F328-I409 HydrophobicContact CE1-CB 4.03Å; F328-I409 HydrophobicContact CE1-CD1 3.58Å; F328-I409 HydrophobicContact CE1-CG1 4.4Å; F328-I409 HydrophobicContact CE1-CG2 3.98Å; F328-I409 HydrophobicContact CE2-CD1 4.24Å; F328-I409 HydrophobicContact CZ-CD1 3.57Å; V329-I409 PolarHBondContact N-O 3.44Å; V407-I409 HydrophobicContact CG1-CD1 4.05Å; V407-I409 HydrophobicContact CG1-CG1 3.87Å; I409-F436 CarbonylContact C-O 3.59Å; I409-F436 WeakPolarHBondContact CA-O 3.37Å; I409-F436 HydrophobicContact CG1-CB 4.24Å; I409-F436 HydrophobicContact CG2-CB 4.34Å; I409-L438 HydrophobicContact CG2-CD1 3.59Å; I409-L438 HydrophobicContact CG2-CG 4.23Å
410	G	98	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.3	177.3	0	0	0	0	0	111.3	F436 L438 E446	G410-F436 PolarHBondContact N-O 3.48Å; G410-L438 WeakPolarHBondContact O-CA 3.25Å; G410-L438 WeakPolarHBondContact O-CB 3.07Å; G410-L438 PolarHBondContact O-N 3.43Å; G410-E446 VanDerWaalsContact CA-CD 3.4Å; G410-E446 WeakPolarHBondContact CA-OE1 3.33Å
411	A	94.3	Very high	96.7	Very high	19 Å²	19	40.9 Å²	40.9	16%	0.157	24%	0.239	C	C	.	.			trans	-144	45.6	170.6	0	0	0	0	0	109.5	V329 A334 A335 E446	V329-A411 CarbonylContact O-C 3.49Å; V329-A411 PolarHBondContact O-N 3.2Å; A334-A411 HydrophobicContact CB-CB 4.46Å; A335-A411 HydrophobicContact CB-CB 4.07Å; A411-E446 PolarHBondContact N-OE1 3.34Å
412	S	92.1	Very high	96.8	Very high	44 Å²	44	35.5 Å²	35.5	31%	0.308	21%	0.214	S	C	.	.	S	Bend	trans	-98.5	-22.3	-170.6	64.1	0	0	0	0	114.2	V329 Q414 S439 E446	V329-S412 WeakPolarHBondContact O-CB 3.45Å; V329-S412 PolarHBondContact O-N 3.44Å; S412-Q414 PolarHBondContact O-N 3.24Å; S412-Q414 PolarHBondContact OG-N 3.41Å; S412-S439 PolarHBondContact N-OG 3.47Å; S412-E446 PolarHBondContact N-OE1 2.94Å; S412-E446 PolarHBondContact OG-OE1 2.8Å
413	G	89.5	Confident	96.8	Very high	33 Å²	33	29.6 Å²	29.6	34%	0.34	19%	0.188	S	C	.	.			trans	70.6	7.7	-166.2	0	0	0	0	0	114.2	S439 K444	G413-S439 WeakPolarHBondContact CA-OG 3.16Å; G413-S439 PolarHBondContact N-OG 2.94Å; G413-K444 WeakPolarHBondContact O-CD 3.38Å
414	Q	92.3	Very high	96.9	Very high	114 Å²	114	33.5 Å²	33.5	53%	0.533	21%	0.206	S	C	.	.			trans	-98.8	100.1	179.1	-167.5	173	34.9	0	0	111.2	S412 G416 I417	S412-Q414 PolarHBondContact O-N 3.24Å; S412-Q414 PolarHBondContact OG-N 3.41Å; Q414-G416 PolarHBondContact O-N 2.96Å; Q414-I417 HydrophobicContact CB-CB 4.23Å; Q414-I417 HydrophobicContact CB-CD1 4.38Å; Q414-I417 HydrophobicContact CG-CB 4.22Å; Q414-I417 PolarHBondContact O-N 2.92Å
415	G	93.8	Very high	96.9	Very high	39 Å²	39	28.7 Å²	28.7	40%	0.402	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129.4	178.6	0	0	0	0	0	112.5	I417 K444 S445	G415-I417 VanDerWaalsContact C-N 3.34Å; G415-I417 PolarHBondContact O-N 3.44Å; G415-K444 PolarHBondContact N-O 3.01Å; G415-S445 WeakPolarHBondContact CA-O 3.47Å
416	G	96.1	Very high	96.9	Very high	32 Å²	32	28.7 Å²	28.7	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	9.4	175.3	0	0	0	0	0	116.1	Q414 F418 S445 E446	Q414-G416 PolarHBondContact O-N 2.96Å; G416-F418 PolarHBondContact O-N 2.87Å; G416-S445 PolarHBondContact N-O 3.29Å; G416-E446 CarbonylContact C-O 3.45Å; G416-E446 WeakPolarHBondContact CA-O 3.15Å; G416-E446 PolarHBondContact N-O 3.15Å
417	I	97.5	Very high	96.9	Very high	30 Å²	30	29.1 Å²	29.1	15%	0.154	19%	0.188	C	C	.	.			trans	-63.1	-25	179.6	-157.5	-175	0	0	0	113	V329 L396 Q414 G415 T419 I422 E446	V329-I417 HydrophobicContact CG1-CD1 3.7Å; V329-I417 HydrophobicContact CG1-CG2 4.21Å; L396-I417 HydrophobicContact CD2-CD1 3.96Å; L396-I417 HydrophobicContact CD2-CG1 4Å; Q414-I417 HydrophobicContact CB-CB 4.23Å; Q414-I417 HydrophobicContact CB-CD1 4.38Å; Q414-I417 HydrophobicContact CG-CB 4.22Å; Q414-I417 PolarHBondContact O-N 2.92Å; G415-I417 VanDerWaalsContact C-N 3.34Å; G415-I417 PolarHBondContact O-N 3.44Å; I417-T419 VanDerWaalsContact C-N 3.33Å; I417-T419 PolarHBondContact O-N 3.25Å; I417-I422 WeakPolarHBondContact O-CD1 3.43Å; I417-E446 HydrophobicContact CG2-CB 3.74Å; I417-E446 HydrophobicContact CG2-CG 3.47Å; I417-E446 VanDerWaalsContact CG2-CG 3.47Å; I417-E446 PolarHBondContact N-O 2.92Å; I417-E446 VanDerWaalsContact N-O 3.17Å
418	F	98.4	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-81	85.9	170.2	-65.7	-8.1	0	0	0	109.2	V329 I408 G416 L423 I435 E446 C447	V329-F418 HydrophobicContact CB-CE1 3.9Å; V329-F418 HydrophobicContact CB-CZ 4.36Å; V329-F418 HydrophobicContact CG1-CE1 4.19Å; V329-F418 HydrophobicContact CG2-CE1 3.76Å; V329-F418 HydrophobicContact CG2-CZ 4.33Å; I408-F418 HydrophobicContact CB-CZ 4.46Å; I408-F418 HydrophobicContact CD1-CD1 3.96Å; I408-F418 HydrophobicContact CD1-CE1 3.51Å; I408-F418 HydrophobicContact CD1-CE2 4.48Å; I408-F418 HydrophobicContact CD1-CZ 3.8Å; I408-F418 HydrophobicContact CG1-CE1 3.86Å; I408-F418 HydrophobicContact CG1-CE2 4.34Å; I408-F418 HydrophobicContact CG1-CZ 3.65Å; I408-F418 HydrophobicContact CG2-CE2 4.03Å; I408-F418 HydrophobicContact CG2-CZ 4.2Å; G416-F418 PolarHBondContact O-N 2.87Å; F418-L423 HydrophobicContact CB-CD2 4.25Å; F418-I435 HydrophobicContact CD2-CG2 3.96Å; F418-I435 HydrophobicContact CE2-CG2 4.14Å; F418-E446 HydrophobicContact CB-CB 4.42Å; F418-E446 HydrophobicContact CD1-CB 3.99Å; F418-E446 HydrophobicContact CD2-CB 3.6Å; F418-E446 HydrophobicContact CE1-CB 4.06Å; F418-E446 HydrophobicContact CE1-CG 4.18Å; F418-E446 HydrophobicContact CE2-CB 3.71Å; F418-E446 HydrophobicContact CE2-CG 4.33Å; F418-E446 HydrophobicContact CG-CB 3.75Å; F418-E446 HydrophobicContact CZ-CB 3.94Å; F418-E446 HydrophobicContact CZ-CG 4.11Å; F418-E446 PolarHBondContact N-O 2.87Å; F418-C447 HydrophobicContact CB-CB 3.94Å
419	T	98.2	Very high	96.9	Very high	40 Å²	40	38 Å²	38	25%	0.245	23%	0.228	C	C	.	.			trans	-67.7	163.7	178.8	67	0	0	0	0	111.9	E397 I417 A421 I422 L423	E397-T419 PolarHBondContact OE1-OG1 3.03Å; I417-T419 VanDerWaalsContact C-N 3.33Å; I417-T419 PolarHBondContact O-N 3.25Å; T419-A421 PolarHBondContact O-N 2.92Å; T419-I422 PolarHBondContact O-N 3.41Å; T419-I422 VanDerWaalsContact O-N 3.1Å; T419-I422 WeakPolarHBondContact OG1-CG1 3.33Å; T419-I422 PolarHBondContact OG1-N 3.21Å; T419-L423 WeakPolarHBondContact O-CG 3.24Å; T419-L423 PolarHBondContact O-N 3.46Å
420	D	98.6	Very high	96.8	Very high	57 Å²	57	38.1 Å²	38.1	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-58.5	-36.4	176.8	-65.4	-13.4	0	0	0	111.6	L423 Q424 R451 I455	D420-L423 PolarHBondContact O-N 3.23Å; D420-Q424 WeakPolarHBondContact O-CB 3.49Å; D420-Q424 WeakPolarHBondContact O-CG 3.29Å; D420-Q424 PolarHBondContact O-N 3.31Å; D420-R451 VanDerWaalsContact CG-NH2 3.25Å; D420-R451 IonicContact OD1-CZ 3.15Å; D420-R451 IonicContact OD1-NE 2.7Å; D420-R451 PolarHBondContact OD1-NE 3.02Å; D420-R451 IonicContact OD1-NH2 2.76Å; D420-R451 PolarHBondContact OD1-NH2 3.43Å; D420-R451 IonicContact OD2-NH2 3.47Å; D420-R451 PolarHBondContact OD2-NH2 3.09Å; D420-I455 HydrophobicContact CB-CD1 4.14Å; D420-I455 HydrophobicContact CB-CG1 4.45Å; D420-I455 HydrophobicContact CB-CG2 4.42Å
421	A	98.4	Very high	96.8	Very high	55 Å²	55	45.3 Å²	45.3	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-43.6	176.4	0	0	0	0	0	111.8	T419 Q424 Q425	T419-A421 PolarHBondContact O-N 2.92Å; A421-Q424 PolarHBondContact O-N 3.49Å; A421-Q425 VanDerWaalsContact O-CB 3.29Å; A421-Q425 WeakPolarHBondContact O-CB 3.42Å; A421-Q425 PolarHBondContact O-N 3.33Å
422	I	98.7	Very high	96.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-47.1	175.5	-70.7	167	0	0	0	110.5	L396 E397 V400 I408 I417 T419 Q424 Q425 M426	L396-I422 HydrophobicContact CB-CD1 4.31Å; L396-I422 HydrophobicContact CD2-CD1 3.65Å; L396-I422 HydrophobicContact CG-CD1 3.78Å; E397-I422 HydrophobicContact CG-CD1 4.27Å; E397-I422 HydrophobicContact CG-CG1 3.92Å; V400-I422 HydrophobicContact CG1-CG2 4.43Å; V400-I422 HydrophobicContact CG2-CG2 4.09Å; I408-I422 HydrophobicContact CD1-CG2 3.94Å; I417-I422 WeakPolarHBondContact O-CD1 3.43Å; T419-I422 PolarHBondContact O-N 3.41Å; T419-I422 VanDerWaalsContact O-N 3.1Å; T419-I422 WeakPolarHBondContact OG1-CG1 3.33Å; T419-I422 PolarHBondContact OG1-N 3.21Å; I422-Q424 PolarHBondContact O-N 2.82Å; I422-Q425 PolarHBondContact O-N 3.42Å; I422-Q425 VanDerWaalsContact O-N 3.11Å; I422-M426 WeakPolarHBondContact O-CG 3.46Å; I422-M426 PolarHBondContact O-N 3.1Å
423	L	98.8	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-41.9	179.8	-63.7	173.9	0	0	0	111.9	F418 T419 D420 Q425 M426 V427 I435 R451 I455 T456	F418-L423 HydrophobicContact CB-CD2 4.25Å; T419-L423 WeakPolarHBondContact O-CG 3.24Å; T419-L423 PolarHBondContact O-N 3.46Å; D420-L423 PolarHBondContact O-N 3.23Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-M426 PolarHBondContact O-N 3.06Å; L423-V427 WeakPolarHBondContact O-CG2 3.4Å; L423-V427 PolarHBondContact O-N 2.64Å; L423-I435 HydrophobicContact CD2-CD1 3.63Å; L423-I435 HydrophobicContact CD2-CG2 4.19Å; L423-R451 HydrophobicContact CD1-CG 4.13Å; L423-I455 HydrophobicContact CB-CB 4.12Å; L423-I455 HydrophobicContact CB-CG2 3.59Å; L423-I455 HydrophobicContact CD1-CB 4.06Å; L423-I455 HydrophobicContact CD1-CG1 4.2Å; L423-I455 HydrophobicContact CD1-CG2 4.3Å; L423-T456 HydrophobicContact CB-CG2 4.5Å
424	Q	98.6	Very high	97.6	Very high	99 Å²	99	45.1 Å²	45.1	46%	0.463	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-36.4	173	-73.5	171.3	-7.3	0	0	112	D420 A421 I422 V427 K428 I455	D420-Q424 WeakPolarHBondContact O-CB 3.49Å; D420-Q424 WeakPolarHBondContact O-CG 3.29Å; D420-Q424 PolarHBondContact O-N 3.31Å; A421-Q424 PolarHBondContact O-N 3.49Å; I422-Q424 PolarHBondContact O-N 2.82Å; Q424-V427 WeakPolarHBondContact O-CB 3.07Å; Q424-V427 PolarHBondContact O-N 3.14Å; Q424-K428 WeakPolarHBondContact O-CG 3.32Å; Q424-K428 PolarHBondContact O-N 3.3Å; Q424-I455 HydrophobicContact CG-CG2 3.66Å
425	Q	98.7	Very high	97.9	Very high	27 Å²	27	39.7 Å²	39.7	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-70	-41.7	177.5	-170.6	59.5	35	0	0	111.6	V400 E401 A421 I422 L423 V427 K428 N429	V400-Q425 HydrophobicContact CG1-CB 3.97Å; V400-Q425 HydrophobicContact CG1-CG 3.79Å; E401-Q425 HydrophobicContact CB-CG 4.22Å; A421-Q425 VanDerWaalsContact O-CB 3.29Å; A421-Q425 WeakPolarHBondContact O-CB 3.42Å; A421-Q425 PolarHBondContact O-N 3.33Å; I422-Q425 PolarHBondContact O-N 3.42Å; I422-Q425 VanDerWaalsContact O-N 3.11Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; Q425-V427 PolarHBondContact O-N 2.81Å; Q425-K428 WeakPolarHBondContact O-CA 3.42Å; Q425-K428 WeakPolarHBondContact O-CB 3.11Å; Q425-K428 PolarHBondContact O-N 3.48Å; Q425-N429 PolarHBondContact NE2-OD1 3.45Å; Q425-N429 PolarHBondContact O-N 2.81Å; Q425-N429 PolarHBondContact O-ND2 3Å; Q425-N429 PolarHBondContact O-OD1 3.48Å
426	M	98.7	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54	-39.1	173.1	-73.2	-59.3	-62.8	0	0	112	V400 P405 I408 I422 L423 N429 S430 P433	V400-M426 HydrophobicContact CG1-CG 4.33Å; V400-M426 HydrophobicContact CG1-SD 3.92Å; P405-M426 HydrophobicContact CB-SD 4.5Å; P405-M426 HydrophobicContact CG-SD 3.81Å; P405-M426 WeakPolarHBondContact O-CE 3.36Å; I408-M426 HydrophobicContact CB-CE 3.85Å; I408-M426 HydrophobicContact CB-SD 3.92Å; I408-M426 HydrophobicContact CG2-CE 3.83Å; I408-M426 HydrophobicContact CG2-CG 4.14Å; I408-M426 HydrophobicContact CG2-SD 4.01Å; I422-M426 WeakPolarHBondContact O-CG 3.46Å; I422-M426 PolarHBondContact O-N 3.1Å; L423-M426 PolarHBondContact O-N 3.06Å; M426-N429 PolarHBondContact O-N 3.3Å; M426-S430 PolarHBondContact O-N 3.33Å; M426-P433 HydrophobicContact CB-CB 3.89Å; M426-P433 HydrophobicContact CB-CG 4.2Å; M426-P433 HydrophobicContact CE-CB 3.97Å
427	V	98.3	Very high	98.3	Very high	21 Å²	21	36.3 Å²	36.3	13%	0.127	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-31.3	176.6	158.4	0	0	0	0	113.7	L423 Q424 Q425 S430 P433 T456	L423-V427 WeakPolarHBondContact O-CG2 3.4Å; L423-V427 PolarHBondContact O-N 2.64Å; Q424-V427 WeakPolarHBondContact O-CB 3.07Å; Q424-V427 PolarHBondContact O-N 3.14Å; Q425-V427 PolarHBondContact O-N 2.81Å; V427-S430 CarbonylContact C-O 3.46Å; V427-P433 HydrophobicContact CG2-CG 4.04Å; V427-T456 VanDerWaalsContact CG2-CB 3.47Å; V427-T456 HydrophobicContact CG2-CG2 3.38Å
428	K	98.3	Very high	98.2	Very high	156 Å²	156	35.7 Å²	35.7	68%	0.678	18%	0.178	S	C	*	.	H	α-helix	trans	-75.3	-33.6	171.2	-66.8	172.1	-171.3	168.7	0	111.5	Q424 Q425	Q424-K428 WeakPolarHBondContact O-CG 3.32Å; Q424-K428 PolarHBondContact O-N 3.3Å; Q425-K428 WeakPolarHBondContact O-CA 3.42Å; Q425-K428 WeakPolarHBondContact O-CB 3.11Å; Q425-K428 PolarHBondContact O-N 3.48Å
429	N	98.3	Very high	97.9	Very high	29 Å²	29	36.1 Å²	36.1	16%	0.155	18%	0.181	C	C	.	.	H	α-helix	trans	-74.2	-30.6	-179.5	-61.8	-18.1	0	0	0	112.2	V400 K404 P405 Q425 M426	V400-N429 PolarHBondContact O-ND2 3.33Å; K404-N429 WeakPolarHBondContact CA-ND2 3.45Å; K404-N429 HydrophobicContact CB-CB 4.22Å; P405-N429 WeakPolarHBondContact O-CB 3.43Å; Q425-N429 PolarHBondContact NE2-OD1 3.45Å; Q425-N429 PolarHBondContact O-N 2.81Å; Q425-N429 PolarHBondContact O-ND2 3Å; Q425-N429 PolarHBondContact O-OD1 3.48Å; M426-N429 PolarHBondContact O-N 3.3Å
430	S	97.9	Very high	97.2	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	18%	0.181	C	C	.	.			trans	-147.1	135.6	-175.2	176.9	0	0	0	0	111	R319 M426 V427 R432 P433	R319-S430 PolarHBondContact NH1-OG 3.24Å; M426-S430 PolarHBondContact O-N 3.33Å; V427-S430 CarbonylContact C-O 3.46Å; S430-R432 VanDerWaalsContact C-N 3.27Å; S430-R432 PolarHBondContact O-N 3.03Å; S430-R432 VanDerWaalsContact OG-C 3.28Å; S430-R432 PolarHBondContact OG-N 3.32Å; S430-R432 PolarHBondContact OG-O 2.89Å; S430-P433 WeakPolarHBondContact O-CD 3.3Å
431	E	96.6	Very high	96.5	Very high	150 Å²	150	35.8 Å²	35.8	70%	0.701	18%	0.18	S	C	*	.	S	Bend	trans	-56.7	-43	175.1	-174.6	-177.3	170.5	0	0	111.9	R459	E431-R459 WeakPolarHBondContact O-CB 3.34Å; E431-R459 PolarHBondContact O-NH1 2.9Å; E431-R459 VanDerWaalsContact O-NH1 3.08Å
432	R	97.4	Very high	95.8	Very high	92 Å²	92	36 Å²	36	35%	0.347	18%	0.176	S	C	.	.	S	Bend	trans	-126.2	82.3	177.6	-61.2	-108.2	-69.1	-89.2	15.7	108.9	I316 T317 S430 R459	I316-R432 VanDerWaalsContact O-CZ 3.23Å; I316-R432 PolarHBondContact O-NH2 3.28Å; T317-R432 HydrophobicContact CG2-CB 3.92Å; T317-R432 WeakPolarHBondContact CG2-O 3.34Å; S430-R432 VanDerWaalsContact C-N 3.27Å; S430-R432 PolarHBondContact O-N 3.03Å; S430-R432 VanDerWaalsContact OG-C 3.28Å; S430-R432 PolarHBondContact OG-N 3.32Å; S430-R432 PolarHBondContact OG-O 2.89Å; R432-R459 WeakPolarHBondContact CA-O 3.43Å; R432-R459 WeakPolarHBondContact CD-O 3.42Å
433	P	98.4	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.			trans	-70.8	148.6	-178.8	28.2	-31.9	0	0	0	111.1	M426 V427 S430 I435 C460 V461	M426-P433 HydrophobicContact CB-CB 3.89Å; M426-P433 HydrophobicContact CB-CG 4.2Å; M426-P433 HydrophobicContact CE-CB 3.97Å; V427-P433 HydrophobicContact CG2-CG 4.04Å; S430-P433 WeakPolarHBondContact O-CD 3.3Å; P433-I435 HydrophobicContact CB-CG1 4.45Å; P433-I435 HydrophobicContact CG-CD1 4.44Å; P433-C460 HydrophobicContact CG-CB 4.04Å; P433-C460 CarbonylContact O-C 3.57Å; P433-C460 WeakPolarHBondContact O-CA 3.49Å; P433-C460 WeakPolarHBondContact O-CB 3.25Å; P433-V461 PolarHBondContact O-N 3.02Å
434	I	98.7	Very high	94.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.3	171.7	-57	171.2	0	0	0	107.9	L310 A313 T317 T406 V407 I408 F436 V461	L310-I434 HydrophobicContact CD2-CG2 4.11Å; A313-I434 HydrophobicContact CB-CD1 3.53Å; A313-I434 HydrophobicContact CB-CG1 3.98Å; A313-I434 HydrophobicContact CB-CG2 4.23Å; T317-I434 HydrophobicContact CG2-CD1 4.15Å; T317-I434 HydrophobicContact CG2-CG1 3.87Å; T406-I434 PolarHBondContact O-N 2.91Å; V407-I434 WeakPolarHBondContact CA-O 3.25Å; V407-I434 HydrophobicContact CB-CB 4.32Å; V407-I434 HydrophobicContact CG1-CB 4.04Å; V407-I434 HydrophobicContact CG1-CG2 4.08Å; V407-I434 HydrophobicContact CG2-CB 4Å; V407-I434 HydrophobicContact CG2-CD1 3.9Å; V407-I434 HydrophobicContact CG2-CG1 4.32Å; I408-I434 PolarHBondContact N-O 2.99Å; I434-F436 HydrophobicContact CG2-CD1 3.64Å; I434-F436 HydrophobicContact CG2-CE1 3.37Å; I434-F436 HydrophobicContact CG2-CG 4.38Å; I434-F436 HydrophobicContact CG2-CZ 3.92Å; I434-V461 WeakPolarHBondContact CA-O 3.49Å; I434-V461 HydrophobicContact CG1-CB 4.3Å
435	I	98.7	Very high	94.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	101.2	-174.8	-54.3	-179.3	0	0	0	108.3	I408 F418 L423 P433 T456 C460 V461 F462 A463	I408-I435 HydrophobicContact CG2-CB 4.24Å; I408-I435 HydrophobicContact CG2-CG1 4.07Å; I408-I435 HydrophobicContact CG2-CG2 3.99Å; F418-I435 HydrophobicContact CD2-CG2 3.96Å; F418-I435 HydrophobicContact CE2-CG2 4.14Å; L423-I435 HydrophobicContact CD2-CD1 3.63Å; L423-I435 HydrophobicContact CD2-CG2 4.19Å; P433-I435 HydrophobicContact CB-CG1 4.45Å; P433-I435 HydrophobicContact CG-CD1 4.44Å; I435-T456 HydrophobicContact CD1-CG2 3.89Å; I435-C460 HydrophobicContact CD1-CB 3.63Å; I435-C460 HydrophobicContact CG1-CB 4.01Å; I435-V461 PolarHBondContact N-O 3.05Å; I435-F462 HydrophobicContact CG2-CD2 4.4Å; I435-F462 WeakPolarHBondContact O-CA 3.2Å; I435-F462 WeakPolarHBondContact O-CD2 3.32Å; I435-A463 PolarHBondContact O-N 2.81Å
436	F	98.6	Very high	94.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.7	178.3	-74.8	8	0	0	0	109.7	T306 L310 I408 I409 G410 I434 L438 A463 V534	T306-F436 HydrophobicContact CG2-CD2 3.98Å; T306-F436 HydrophobicContact CG2-CE2 4.31Å; L310-F436 HydrophobicContact CD2-CD2 4.14Å; L310-F436 HydrophobicContact CD2-CE2 3.71Å; L310-F436 HydrophobicContact CD2-CZ 4.13Å; L310-F436 HydrophobicContact CG-CE2 3.92Å; I408-F436 PolarHBondContact O-N 2.83Å; I409-F436 CarbonylContact C-O 3.59Å; I409-F436 WeakPolarHBondContact CA-O 3.37Å; I409-F436 HydrophobicContact CG1-CB 4.24Å; I409-F436 HydrophobicContact CG2-CB 4.34Å; G410-F436 PolarHBondContact N-O 3.48Å; I434-F436 HydrophobicContact CG2-CD1 3.64Å; I434-F436 HydrophobicContact CG2-CE1 3.37Å; I434-F436 HydrophobicContact CG2-CG 4.38Å; I434-F436 HydrophobicContact CG2-CZ 3.92Å; F436-L438 HydrophobicContact CB-CD2 4.03Å; F436-L438 HydrophobicContact CB-CG 4.26Å; F436-A463 WeakPolarHBondContact CA-O 3.43Å; F436-A463 HydrophobicContact CD1-CB 3.6Å; F436-A463 HydrophobicContact CE1-CB 3.54Å; F436-A463 HydrophobicContact CE2-CB 4.48Å; F436-A463 HydrophobicContact CG-CB 4.12Å; F436-A463 HydrophobicContact CZ-CB 4.01Å; F436-V534 HydrophobicContact CZ-CG2 4.27Å
437	S	97.8	Very high	94.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	84.9	-175.7	-171.1	0	0	0	0	108.6	S445 E446 C447 A463 G464 G465	S437-S445 PolarHBondContact OG-OG 3.15Å; S437-E446 WeakPolarHBondContact OG-CB 3.2Å; S437-E446 PolarHBondContact OG-N 2.9Å; S437-E446 PolarHBondContact OG-OE2 2.89Å; S437-C447 PolarHBondContact OG-N 2.92Å; S437-C447 PolarHBondContact OG-O 3.27Å; S437-A463 PolarHBondContact N-O 3.41Å; S437-G464 CarbonylContact O-C 3.55Å; S437-G464 VanDerWaalsContact O-CA 3.29Å; S437-G464 WeakPolarHBondContact O-CA 3.23Å; S437-G465 PolarHBondContact O-N 3.18Å
438	L	95.8	Very high	94.5	Very high	16 Å²	16	41.4 Å²	41.4	8%	0.084	21%	0.214	C	C	.	.			trans	-92.1	-10.9	-161.2	-52.3	-178.7	0	0	0	113.9	T306 I338 I409 G410 F436 N440 E446 G465 C487	T306-L438 HydrophobicContact CG2-CD1 4.04Å; I338-L438 HydrophobicContact CD1-CD1 3.7Å; I409-L438 HydrophobicContact CG2-CD1 3.59Å; I409-L438 HydrophobicContact CG2-CG 4.23Å; G410-L438 WeakPolarHBondContact O-CA 3.25Å; G410-L438 WeakPolarHBondContact O-CB 3.07Å; G410-L438 PolarHBondContact O-N 3.43Å; F436-L438 HydrophobicContact CB-CD2 4.03Å; F436-L438 HydrophobicContact CB-CG 4.26Å; L438-N440 PolarHBondContact O-ND2 3.3Å; L438-E446 PolarHBondContact N-OE2 3.45Å; L438-G465 WeakPolarHBondContact O-CA 3.45Å; L438-C487 HydrophobicContact CD2-CB 3.62Å
439	S	91.6	Very high	94.4	Very high	10 Å²	10	34 Å²	34	7%	0.07	18%	0.182	C	C	.	.			trans	-65.8	137.5	-177.5	-72.2	0	0	0	0	113	S412 G413 K444 E446	S412-S439 PolarHBondContact N-OG 3.47Å; G413-S439 WeakPolarHBondContact CA-OG 3.16Å; G413-S439 PolarHBondContact N-OG 2.94Å; S439-K444 WeakPolarHBondContact CB-O 3.24Å; S439-E446 WeakPolarHBondContact CB-OE1 3.35Å; S439-E446 WeakPolarHBondContact CB-OE2 3.47Å; S439-E446 PolarHBondContact N-OE2 3.33Å; S439-E446 PolarHBondContact OG-OE1 2.68Å; S439-E446 PolarHBondContact OG-OE2 2.99Å
440	N	84.1	Confident	94.4	Very high	48 Å²	48	37.6 Å²	37.6	26%	0.257	20%	0.198	S	C	.	.	S	Bend	trans	-113.1	152.4	176.3	-72	-68.3	0	0	0	111.1	L438 G465 S466	L438-N440 PolarHBondContact O-ND2 3.3Å; N440-G465 VanDerWaalsContact OD1-C 3.23Å; N440-G465 PolarHBondContact OD1-O 3.31Å; N440-S466 WeakPolarHBondContact OD1-CA 3.44Å; N440-S466 PolarHBondContact OD1-N 3.03Å; N440-S466 PolarHBondContact OD1-OG 3.44Å
441	P	83.5	Confident	94.3	Very high	42 Å²	42	40.8 Å²	40.8	27%	0.273	21%	0.209	S	C	.	.	S	Bend	cis	-71.3	-175.2	-12.3	33.1	-37.8	0	0	0	112	S443 K444 S445	P441-S443 PolarHBondContact O-N 3.34Å; P441-K444 HydrophobicContact CG-CG 4.47Å; P441-K444 WeakPolarHBondContact O-CA 3.34Å; P441-K444 WeakPolarHBondContact O-CB 3.39Å; P441-K444 PolarHBondContact O-N 3Å; P441-S445 PolarHBondContact O-N 3.39Å
442	T	85.5	Confident	94.4	Very high	60 Å²	60	33.6 Å²	33.6	37%	0.368	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-50.6	-33.7	-177.1	-47.6	0	0	0	0	113.7	K444 S445 S466 F468	T442-K444 PolarHBondContact O-N 2.99Å; T442-S445 WeakPolarHBondContact O-CB 3.2Å; T442-S445 PolarHBondContact O-N 2.86Å; T442-S466 PolarHBondContact N-OG 2.87Å; T442-S466 WeakPolarHBondContact OG1-CB 3.38Å; T442-F468 HydrophobicContact CG2-CD1 4.4Å; T442-F468 HydrophobicContact CG2-CE1 3.7Å; T442-F468 HydrophobicContact CG2-CZ 4.04Å
443	S	86.9	Confident	94.4	Very high	99 Å²	99	29.3 Å²	29.3	69%	0.692	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-68	-16.3	177.3	58.1	0	0	0	0	114.4	P441	P441-S443 PolarHBondContact O-N 3.34Å
444	K	90.4	Very high	94.4	Very high	96 Å²	96	35 Å²	35	42%	0.417	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-102.4	-2.5	177.2	-65	-75.9	175.9	173.4	0	112.8	G413 G415 S439 P441 T442	G413-K444 WeakPolarHBondContact O-CD 3.38Å; G415-K444 PolarHBondContact N-O 3.01Å; S439-K444 WeakPolarHBondContact CB-O 3.24Å; P441-K444 HydrophobicContact CG-CG 4.47Å; P441-K444 WeakPolarHBondContact O-CA 3.34Å; P441-K444 WeakPolarHBondContact O-CB 3.39Å; P441-K444 PolarHBondContact O-N 3Å; T442-K444 PolarHBondContact O-N 2.99Å
445	S	93.6	Very high	94.4	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.035	19%	0.189	C	C	.	.			trans	-61.7	134.1	176.7	-167.9	0	0	0	0	111.3	G415 G416 S437 P441 T442 C447 F468	G415-S445 WeakPolarHBondContact CA-O 3.47Å; G416-S445 PolarHBondContact N-O 3.29Å; S437-S445 PolarHBondContact OG-OG 3.15Å; P441-S445 PolarHBondContact O-N 3.39Å; T442-S445 WeakPolarHBondContact O-CB 3.2Å; T442-S445 PolarHBondContact O-N 2.86Å; S445-C447 WeakPolarHBondContact CB-O 3.33Å; S445-C447 PolarHBondContact O-N 3.29Å; S445-C447 PolarHBondContact OG-O 3.05Å; S445-F468 WeakPolarHBondContact OG-CZ 3.44Å
446	E	97.5	Very high	94.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-57.3	-34.8	-178.6	-70.3	78.4	-171.1	0	0	113.1	G410 A411 S412 G416 I417 F418 S437 L438 S439	G410-E446 VanDerWaalsContact CA-CD 3.4Å; G410-E446 WeakPolarHBondContact CA-OE1 3.33Å; A411-E446 PolarHBondContact N-OE1 3.34Å; S412-E446 PolarHBondContact N-OE1 2.94Å; S412-E446 PolarHBondContact OG-OE1 2.8Å; G416-E446 CarbonylContact C-O 3.45Å; G416-E446 WeakPolarHBondContact CA-O 3.15Å; G416-E446 PolarHBondContact N-O 3.15Å; I417-E446 HydrophobicContact CG2-CB 3.74Å; I417-E446 HydrophobicContact CG2-CG 3.47Å; I417-E446 VanDerWaalsContact CG2-CG 3.47Å; I417-E446 PolarHBondContact N-O 2.92Å; I417-E446 VanDerWaalsContact N-O 3.17Å; F418-E446 HydrophobicContact CB-CB 4.42Å; F418-E446 HydrophobicContact CD1-CB 3.99Å; F418-E446 HydrophobicContact CD2-CB 3.6Å; F418-E446 HydrophobicContact CE1-CB 4.06Å; F418-E446 HydrophobicContact CE1-CG 4.18Å; F418-E446 HydrophobicContact CE2-CB 3.71Å; F418-E446 HydrophobicContact CE2-CG 4.33Å; F418-E446 HydrophobicContact CG-CB 3.75Å; F418-E446 HydrophobicContact CZ-CB 3.94Å; F418-E446 HydrophobicContact CZ-CG 4.11Å; F418-E446 PolarHBondContact N-O 2.87Å; S437-E446 WeakPolarHBondContact OG-CB 3.2Å; S437-E446 PolarHBondContact OG-N 2.9Å; S437-E446 PolarHBondContact OG-OE2 2.89Å; L438-E446 PolarHBondContact N-OE2 3.45Å; S439-E446 WeakPolarHBondContact CB-OE1 3.35Å; S439-E446 WeakPolarHBondContact CB-OE2 3.47Å; S439-E446 PolarHBondContact N-OE2 3.33Å; S439-E446 PolarHBondContact OG-OE1 2.68Å; S439-E446 PolarHBondContact OG-OE2 2.99Å
447	C	97.7	Very high	94.2	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.027	22%	0.218	C	C	.	.	S	Bend	trans	-150.9	176.1	160	62.1	0	0	0	0	111.1	F418 S437 S445	F418-C447 HydrophobicContact CB-CB 3.94Å; S437-C447 PolarHBondContact OG-N 2.92Å; S437-C447 PolarHBondContact OG-O 3.27Å; S445-C447 WeakPolarHBondContact CB-O 3.33Å; S445-C447 PolarHBondContact O-N 3.29Å; S445-C447 PolarHBondContact OG-O 3.05Å
448	T	97.2	Very high	94.1	Very high	58 Å²	58	43.4 Å²	43.4	36%	0.356	23%	0.225	S	C	.	.			trans	-92.3	152.7	170.5	67.6	0	0	0	0	110.7	E450 R451 A452 F468	T448-E450 VanDerWaalsContact C-N 3.28Å; T448-E450 PolarHBondContact O-N 3.17Å; T448-R451 PolarHBondContact O-N 2.91Å; T448-R451 VanDerWaalsContact OG1-CB 3.26Å; T448-R451 WeakPolarHBondContact OG1-CB 3.23Å; T448-R451 PolarHBondContact OG1-N 2.82Å; T448-R451 VanDerWaalsContact OG1-N 3.13Å; T448-A452 PolarHBondContact O-N 2.66Å; T448-F468 HydrophobicContact CG2-CE1 4.05Å
449	A	97	Very high	94.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-53.1	-47	173.1	0	0	0	0	0	111.6	R451 A452 Y453 F462 F468 V471 P484	A449-R451 PolarHBondContact O-N 3.36Å; A449-A452 PolarHBondContact O-N 3.47Å; A449-Y453 HydrophobicContact CB-CD2 4.35Å; A449-Y453 HydrophobicContact CB-CE2 4.06Å; A449-Y453 WeakPolarHBondContact O-CD2 3.21Å; A449-Y453 PolarHBondContact O-N 3.43Å; A449-F462 HydrophobicContact CB-CD1 3.66Å; A449-F462 HydrophobicContact CB-CE1 3.47Å; A449-F462 VanDerWaalsContact CB-CE1 3.47Å; A449-F462 HydrophobicContact CB-CG 4.35Å; A449-F462 HydrophobicContact CB-CZ 4Å; A449-F468 HydrophobicContact CB-CB 3.8Å; A449-F468 HydrophobicContact CB-CD1 4.18Å; A449-F468 HydrophobicContact CB-CD2 4.32Å; A449-F468 HydrophobicContact CB-CG 3.83Å; A449-V471 HydrophobicContact CB-CG2 4.37Å; A449-P484 HydrophobicContact CB-CB 3.87Å; A449-P484 HydrophobicContact CB-CG 3.81Å
450	E	96.9	Very high	94.5	Very high	104 Å²	104	46.2 Å²	46.2	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-45.4	178.5	-169.1	-160.3	152.3	0	0	112.2	T448 R454 V471	T448-E450 VanDerWaalsContact C-N 3.28Å; T448-E450 PolarHBondContact O-N 3.17Å; E450-R454 WeakPolarHBondContact O-CB 3.45Å; E450-R454 PolarHBondContact O-N 3.09Å; E450-R454 IonicContact OE1-NH1 3.08Å; E450-R454 PolarHBondContact OE1-NH1 2.88Å; E450-R454 VanDerWaalsContact OE1-NH1 3.08Å; E450-V471 HydrophobicContact CB-CG1 4.38Å; E450-V471 HydrophobicContact CB-CG2 4.02Å; E450-V471 HydrophobicContact CG-CG1 4.09Å
451	R	97.2	Very high	95.1	Very high	70 Å²	70	44.1 Å²	44.1	26%	0.264	22%	0.223	S	C	.	.	H	α-helix	trans	-65.9	-43.7	178.9	-172.9	178.4	-173.8	176.4	4.4	110.9	D420 L423 T448 A449 R454 I455	D420-R451 VanDerWaalsContact CG-NH2 3.25Å; D420-R451 IonicContact OD1-CZ 3.15Å; D420-R451 IonicContact OD1-NE 2.7Å; D420-R451 PolarHBondContact OD1-NE 3.02Å; D420-R451 IonicContact OD1-NH2 2.76Å; D420-R451 PolarHBondContact OD1-NH2 3.43Å; D420-R451 IonicContact OD2-NH2 3.47Å; D420-R451 PolarHBondContact OD2-NH2 3.09Å; L423-R451 HydrophobicContact CD1-CG 4.13Å; T448-R451 PolarHBondContact O-N 2.91Å; T448-R451 VanDerWaalsContact OG1-CB 3.26Å; T448-R451 WeakPolarHBondContact OG1-CB 3.23Å; T448-R451 PolarHBondContact OG1-N 2.82Å; T448-R451 VanDerWaalsContact OG1-N 3.13Å; A449-R451 PolarHBondContact O-N 3.36Å; R451-R454 PolarHBondContact O-N 2.95Å; R451-I455 HydrophobicContact CG-CG1 4.16Å; R451-I455 WeakPolarHBondContact O-CB 3.43Å; R451-I455 VanDerWaalsContact O-CG1 3.24Å; R451-I455 WeakPolarHBondContact O-CG1 3.24Å; R451-I455 PolarHBondContact O-N 2.95Å
452	A	98.3	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-53.2	176.5	0	0	0	0	0	111.3	T448 A449 R454 T456 F462	T448-A452 PolarHBondContact O-N 2.66Å; A449-A452 PolarHBondContact O-N 3.47Å; A452-R454 PolarHBondContact O-N 3.45Å; A452-T456 VanDerWaalsContact O-CB 3.31Å; A452-T456 WeakPolarHBondContact O-CB 3.47Å; A452-T456 VanDerWaalsContact O-CG2 3.23Å; A452-T456 WeakPolarHBondContact O-CG2 3.4Å; A452-T456 PolarHBondContact O-N 3.08Å; A452-T456 PolarHBondContact O-OG1 3.26Å; A452-F462 HydrophobicContact CB-CD2 3.64Å; A452-F462 HydrophobicContact CB-CE2 4.12Å; A452-F462 HydrophobicContact CB-CG 4.44Å
453	Y	98	Very high	96.4	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-43.5	178.7	-66	-54.2	0	0	0	112.3	A449 E457 G458 F462 V471 L473 F482 P484	A449-Y453 HydrophobicContact CB-CD2 4.35Å; A449-Y453 HydrophobicContact CB-CE2 4.06Å; A449-Y453 WeakPolarHBondContact O-CD2 3.21Å; A449-Y453 PolarHBondContact O-N 3.43Å; Y453-E457 PolarHBondContact O-N 3.16Å; Y453-G458 PolarHBondContact O-N 3.08Å; Y453-F462 HydrophobicContact CE1-CB 4Å; Y453-F462 HydrophobicContact CE2-CB 4.41Å; Y453-V471 HydrophobicContact CD2-CB 4.07Å; Y453-V471 HydrophobicContact CD2-CG1 4.24Å; Y453-V471 HydrophobicContact CD2-CG2 4.08Å; Y453-V471 HydrophobicContact CE2-CG2 4.44Å; Y453-L473 WeakPolarHBondContact O-CD2 3.19Å; Y453-F482 HydrophobicContact CD1-CD1 4.02Å; Y453-F482 HydrophobicContact CD1-CD2 4.3Å; Y453-F482 HydrophobicContact CD1-CE1 4.17Å; Y453-F482 HydrophobicContact CD1-CE2 4.44Å; Y453-F482 HydrophobicContact CD1-CG 4.08Å; Y453-F482 HydrophobicContact CD1-CZ 4.37Å; Y453-F482 HydrophobicContact CD2-CB 3.98Å; Y453-F482 HydrophobicContact CD2-CD2 4.3Å; Y453-F482 HydrophobicContact CD2-CG 4.12Å; Y453-F482 HydrophobicContact CE1-CB 4.33Å; Y453-F482 AromaticContact CE1-CD1 3.71Å; Y453-F482 HydrophobicContact CE1-CD1 3.71Å; Y453-F482 HydrophobicContact CE1-CE1 4.13Å; Y453-F482 HydrophobicContact CE1-CG 4.01Å; Y453-F482 HydrophobicContact CE2-CB 3.61Å; Y453-F482 HydrophobicContact CE2-CG 4.05Å; Y453-F482 HydrophobicContact CG-CD2 4.12Å; Y453-F482 HydrophobicContact CG-CE2 4.47Å; Y453-F482 HydrophobicContact CG-CG 4.15Å; Y453-F482 AromaticContact CZ-CD1 3.98Å; Y453-F482 AromaticContact CZ-CG 3.99Å; Y453-P484 HydrophobicContact CE2-CB 4.29Å
454	R	97.4	Very high	96.8	Very high	119 Å²	119	34.6 Å²	34.6	45%	0.449	16%	0.159	S	C	.	.	H	α-helix	trans	-63.2	-50.2	-179	-177.2	177.2	65.1	-133.1	1.4	112.2	E450 R451 A452 T456 E457 L473	E450-R454 WeakPolarHBondContact O-CB 3.45Å; E450-R454 PolarHBondContact O-N 3.09Å; E450-R454 IonicContact OE1-NH1 3.08Å; E450-R454 PolarHBondContact OE1-NH1 2.88Å; E450-R454 VanDerWaalsContact OE1-NH1 3.08Å; R451-R454 PolarHBondContact O-N 2.95Å; A452-R454 PolarHBondContact O-N 3.45Å; R454-T456 VanDerWaalsContact C-N 3.31Å; R454-T456 PolarHBondContact O-N 3.3Å; R454-E457 PolarHBondContact O-N 2.91Å; R454-L473 HydrophobicContact CB-CD1 4.45Å
455	I	98	Very high	96.9	Very high	34 Å²	34	30.1 Å²	30.1	17%	0.174	14%	0.141	C	C	.	.	H	α-helix	trans	-70.8	-30.9	-176.6	-61.1	-63.7	0	0	0	111.4	D420 L423 Q424 R451 E457	D420-I455 HydrophobicContact CB-CD1 4.14Å; D420-I455 HydrophobicContact CB-CG1 4.45Å; D420-I455 HydrophobicContact CB-CG2 4.42Å; L423-I455 HydrophobicContact CB-CB 4.12Å; L423-I455 HydrophobicContact CB-CG2 3.59Å; L423-I455 HydrophobicContact CD1-CB 4.06Å; L423-I455 HydrophobicContact CD1-CG1 4.2Å; L423-I455 HydrophobicContact CD1-CG2 4.3Å; Q424-I455 HydrophobicContact CG-CG2 3.66Å; R451-I455 HydrophobicContact CG-CG1 4.16Å; R451-I455 WeakPolarHBondContact O-CB 3.43Å; R451-I455 VanDerWaalsContact O-CG1 3.24Å; R451-I455 WeakPolarHBondContact O-CG1 3.24Å; R451-I455 PolarHBondContact O-N 2.95Å; I455-E457 VanDerWaalsContact C-N 3.29Å
456	T	97.8	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.006	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.9	175.5	68.8	0	0	0	0	114.3	L423 V427 I435 A452 R454 G458 R459 C460	L423-T456 HydrophobicContact CB-CG2 4.5Å; V427-T456 VanDerWaalsContact CG2-CB 3.47Å; V427-T456 HydrophobicContact CG2-CG2 3.38Å; I435-T456 HydrophobicContact CD1-CG2 3.89Å; A452-T456 VanDerWaalsContact O-CB 3.31Å; A452-T456 WeakPolarHBondContact O-CB 3.47Å; A452-T456 VanDerWaalsContact O-CG2 3.23Å; A452-T456 WeakPolarHBondContact O-CG2 3.4Å; A452-T456 PolarHBondContact O-N 3.08Å; A452-T456 PolarHBondContact O-OG1 3.26Å; R454-T456 VanDerWaalsContact C-N 3.31Å; R454-T456 PolarHBondContact O-N 3.3Å; T456-G458 PolarHBondContact O-N 2.85Å; T456-R459 VanDerWaalsContact O-CB 3.3Å; T456-R459 WeakPolarHBondContact O-CB 3.3Å; T456-R459 PolarHBondContact O-N 3.32Å; T456-C460 HydrophobicContact CG2-CB 3.81Å; T456-C460 WeakPolarHBondContact OG1-CB 3.44Å; T456-C460 PolarHBondContact OG1-N 3.25Å; T456-C460 PolarHBondContact OG1-SG 3.48Å
457	E	96.3	Very high	96.1	Very high	129 Å²	129	32.5 Å²	32.5	60%	0.603	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.4	-178.4	-57.4	171	-178.1	0	0	112.6	Y453 R454 I455 R459 V475	Y453-E457 PolarHBondContact O-N 3.16Å; R454-E457 PolarHBondContact O-N 2.91Å; I455-E457 VanDerWaalsContact C-N 3.29Å; E457-R459 VanDerWaalsContact C-N 3.29Å; E457-R459 PolarHBondContact O-N 3.48Å; E457-V475 WeakPolarHBondContact O-CG1 3.16Å
458	G	96.3	Very high	95.9	Very high	15 Å²	15	34.1 Å²	34.1	16%	0.155	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	8.9	-179.3	0	0	0	0	0	115	Y453 T456	Y453-G458 PolarHBondContact O-N 3.08Å; T456-G458 PolarHBondContact O-N 2.85Å
459	R	96.3	Very high	95.7	Very high	79 Å²	79	38.2 Å²	38.2	30%	0.298	18%	0.183	S	C	.	.			trans	-87.6	-22.2	-175.2	-65.1	-170.9	-77	139.9	-21.4	114.8	E431 R432 T456 E457	E431-R459 WeakPolarHBondContact O-CB 3.34Å; E431-R459 PolarHBondContact O-NH1 2.9Å; E431-R459 VanDerWaalsContact O-NH1 3.08Å; R432-R459 WeakPolarHBondContact CA-O 3.43Å; R432-R459 WeakPolarHBondContact CD-O 3.42Å; T456-R459 VanDerWaalsContact O-CB 3.3Å; T456-R459 WeakPolarHBondContact O-CB 3.3Å; T456-R459 PolarHBondContact O-N 3.32Å; E457-R459 VanDerWaalsContact C-N 3.29Å; E457-R459 PolarHBondContact O-N 3.48Å
460	C	98.1	Very high	95.6	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	-72	149.5	179.3	71.3	0	0	0	0	112.3	P433 I435 T456	P433-C460 HydrophobicContact CG-CB 4.04Å; P433-C460 CarbonylContact O-C 3.57Å; P433-C460 WeakPolarHBondContact O-CA 3.49Å; P433-C460 WeakPolarHBondContact O-CB 3.25Å; I435-C460 HydrophobicContact CD1-CB 3.63Å; I435-C460 HydrophobicContact CG1-CB 4.01Å; T456-C460 HydrophobicContact CG2-CB 3.81Å; T456-C460 WeakPolarHBondContact OG1-CB 3.44Å; T456-C460 PolarHBondContact OG1-N 3.25Å; T456-C460 PolarHBondContact OG1-SG 3.48Å
461	V	98.2	Very high	95.6	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.6	158.9	-173.9	0	0	0	0	107.6	A313 I316 T317 P433 I434 I435 V534	A313-V461 HydrophobicContact CB-CB 4.4Å; A313-V461 HydrophobicContact CB-CG1 3.82Å; I316-V461 HydrophobicContact CB-CG2 3.99Å; I316-V461 HydrophobicContact CD1-CG1 3.97Å; I316-V461 HydrophobicContact CD1-CG2 4.42Å; I316-V461 HydrophobicContact CG2-CG2 3.48Å; I316-V461 VanDerWaalsContact CG2-CG2 3.48Å; T317-V461 HydrophobicContact CG2-CG2 3.74Å; P433-V461 PolarHBondContact O-N 3.02Å; I434-V461 WeakPolarHBondContact CA-O 3.49Å; I434-V461 HydrophobicContact CG1-CB 4.3Å; I435-V461 PolarHBondContact N-O 3.05Å; V461-V534 HydrophobicContact CG1-CG1 3.44Å; V461-V534 VanDerWaalsContact CG1-CG1 3.44Å
462	F	98.3	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.2	-175.3	179.9	-86.7	0	0	0	111.7	I435 A449 A452 Y453 F468 P484	I435-F462 HydrophobicContact CG2-CD2 4.4Å; I435-F462 WeakPolarHBondContact O-CA 3.2Å; I435-F462 WeakPolarHBondContact O-CD2 3.32Å; A449-F462 HydrophobicContact CB-CD1 3.66Å; A449-F462 HydrophobicContact CB-CE1 3.47Å; A449-F462 VanDerWaalsContact CB-CE1 3.47Å; A449-F462 HydrophobicContact CB-CG 4.35Å; A449-F462 HydrophobicContact CB-CZ 4Å; A452-F462 HydrophobicContact CB-CD2 3.64Å; A452-F462 HydrophobicContact CB-CE2 4.12Å; A452-F462 HydrophobicContact CB-CG 4.44Å; Y453-F462 HydrophobicContact CE1-CB 4Å; Y453-F462 HydrophobicContact CE2-CB 4.41Å; F462-F468 AromaticContact CE1-CD2 3.72Å; F462-F468 HydrophobicContact CE1-CD2 3.72Å; F462-F468 AromaticContact CE1-CE2 3.96Å; F462-F468 HydrophobicContact CE1-CE2 3.96Å; F462-F468 HydrophobicContact CE1-CG 4.43Å; F462-F468 HydrophobicContact CZ-CD2 4.02Å; F462-F468 AromaticContact CZ-CE2 3.77Å; F462-F468 HydrophobicContact CZ-CE2 3.77Å; F462-F468 HydrophobicContact CZ-CZ 4.37Å; F462-P484 HydrophobicContact CD1-CB 3.79Å; F462-P484 HydrophobicContact CE1-CB 4.24Å
463	A	97.9	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.7	164.6	0	0	0	0	0	110.1	I435 F436 S437 G485 C487 V534 F535	I435-A463 PolarHBondContact O-N 2.81Å; F436-A463 WeakPolarHBondContact CA-O 3.43Å; F436-A463 HydrophobicContact CD1-CB 3.6Å; F436-A463 HydrophobicContact CE1-CB 3.54Å; F436-A463 HydrophobicContact CE2-CB 4.48Å; F436-A463 HydrophobicContact CG-CB 4.12Å; F436-A463 HydrophobicContact CZ-CB 4.01Å; S437-A463 PolarHBondContact N-O 3.41Å; A463-G485 WeakPolarHBondContact CA-O 3.31Å; A463-C487 HydrophobicContact CB-CB 4.37Å; A463-V534 HydrophobicContact CB-CG2 3.83Å; A463-F535 HydrophobicContact CB-CE2 4.16Å
464	G	95.4	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.1	179.5	0	0	0	0	0	112.2	S437 G485 Q486 C487	S437-G464 CarbonylContact O-C 3.55Å; S437-G464 VanDerWaalsContact O-CA 3.29Å; S437-G464 WeakPolarHBondContact O-CA 3.23Å; G464-G485 PolarHBondContact N-O 3.32Å; G464-Q486 CarbonylContact O-C 3.59Å; G464-Q486 VanDerWaalsContact O-CA 3.28Å; G464-Q486 WeakPolarHBondContact O-CA 3.47Å; G464-C487 PolarHBondContact O-N 2.93Å
465	G	91.6	Very high	95	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	-71.6	-35.6	167.4	0	0	0	0	0	111.6	S437 L438 N440 Q486	S437-G465 PolarHBondContact O-N 3.18Å; L438-G465 WeakPolarHBondContact O-CA 3.45Å; N440-G465 VanDerWaalsContact OD1-C 3.23Å; N440-G465 PolarHBondContact OD1-O 3.31Å; G465-Q486 WeakPolarHBondContact O-CG 3.42Å; G465-Q486 PolarHBondContact O-NE2 3.05Å
466	S	87.2	Confident	94.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	26%	0.259	C	S	.	.	S	Bend	trans	-89.4	153.5	169.1	-74.8	0	0	0	0	112.1	N440 T442 F468	N440-S466 WeakPolarHBondContact OD1-CA 3.44Å; N440-S466 PolarHBondContact OD1-N 3.03Å; N440-S466 PolarHBondContact OD1-OG 3.44Å; T442-S466 PolarHBondContact N-OG 2.87Å; T442-S466 WeakPolarHBondContact OG1-CB 3.38Å; S466-F468 VanDerWaalsContact O-CD2 3.31Å; S466-F468 WeakPolarHBondContact O-CD2 3.45Å
467	P	87.9	Confident	94.2	Very high	53 Å²	53	51.2 Å²	51.2	34%	0.344	29%	0.287	S	S	.	.			trans	-67.3	139.9	173.8	29.2	-34.3	0	0	0	110.9
468	F	91.9	Very high	94	Very high	37 Å²	37	52.8 Å²	52.8	16%	0.162	29%	0.291	C	S	.	.			trans	-122.3	149	172.8	-74.3	-79.3	0	0	0	109.9	T442 S445 T448 A449 F462 S466 P484	T442-F468 HydrophobicContact CG2-CD1 4.4Å; T442-F468 HydrophobicContact CG2-CE1 3.7Å; T442-F468 HydrophobicContact CG2-CZ 4.04Å; S445-F468 WeakPolarHBondContact OG-CZ 3.44Å; T448-F468 HydrophobicContact CG2-CE1 4.05Å; A449-F468 HydrophobicContact CB-CB 3.8Å; A449-F468 HydrophobicContact CB-CD1 4.18Å; A449-F468 HydrophobicContact CB-CD2 4.32Å; A449-F468 HydrophobicContact CB-CG 3.83Å; F462-F468 AromaticContact CE1-CD2 3.72Å; F462-F468 HydrophobicContact CE1-CD2 3.72Å; F462-F468 AromaticContact CE1-CE2 3.96Å; F462-F468 HydrophobicContact CE1-CE2 3.96Å; F462-F468 HydrophobicContact CE1-CG 4.43Å; F462-F468 HydrophobicContact CZ-CD2 4.02Å; F462-F468 AromaticContact CZ-CE2 3.77Å; F462-F468 HydrophobicContact CZ-CE2 3.77Å; F462-F468 HydrophobicContact CZ-CZ 4.37Å; S466-F468 VanDerWaalsContact O-CD2 3.31Å; S466-F468 WeakPolarHBondContact O-CD2 3.45Å; F468-P484 HydrophobicContact CB-CB 4.45Å; F468-P484 HydrophobicContact CB-CG 3.73Å
469	N	93	Very high	93.9	Very high	145 Å²	145	59.3 Å²	59.3	78%	0.775	32%	0.318	S	S	*	.			trans	-69	158.4	173.1	-65.4	-26.4	0	0	0	110.7
470	D	95.6	Very high	93.9	Very high	78 Å²	78	57.7 Å²	57.7	42%	0.417	32%	0.316	S	S	.	.			trans	-56.3	145.1	167.4	-68.5	-0.5	0	0	0	110.8	H481 F482 Q483	D470-H481 WeakPolarHBondContact CB-NE2 3.34Å; D470-H481 IonicContact OD2-CE1 2.86Å; D470-H481 PolarHBondContact OD2-CE1 3.3Å; D470-H481 IonicContact OD2-NE2 3.3Å; D470-H481 PolarHBondContact OD2-NE2 2.99Å; D470-F482 CarbonylContact C-O 3.6Å; D470-F482 WeakPolarHBondContact CA-O 3.43Å; D470-Q483 PolarHBondContact OD2-NE2 3.5Å
471	V	97.2	Very high	93.8	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.085	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.4	-176.8	179.5	0	0	0	0	109.2	A449 E450 Y453 L473 F482	A449-V471 HydrophobicContact CB-CG2 4.37Å; E450-V471 HydrophobicContact CB-CG1 4.38Å; E450-V471 HydrophobicContact CB-CG2 4.02Å; E450-V471 HydrophobicContact CG-CG1 4.09Å; Y453-V471 HydrophobicContact CD2-CB 4.07Å; Y453-V471 HydrophobicContact CD2-CG1 4.24Å; Y453-V471 HydrophobicContact CD2-CG2 4.08Å; Y453-V471 HydrophobicContact CE2-CG2 4.44Å; V471-L473 HydrophobicContact CG1-CB 4.47Å; V471-F482 HydrophobicContact CB-CB 4.3Å; V471-F482 PolarHBondContact N-O 3.48Å; V471-F482 PolarHBondContact O-N 3.37Å
472	L	96.7	Very high	93.7	Very high	111 Å²	111	62.4 Å²	62.4	58%	0.581	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.6	170.4	-171.1	67.3	0	0	0	109.3	E479 H481	L472-E479 HydrophobicContact CD1-CB 4.28Å; L472-H481 HydrophobicContact CD1-CB 4.27Å
473	L	95.8	Very high	93.6	Very high	35 Å²	35	64.1 Å²	64.1	18%	0.183	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.4	-176.7	-174.7	69.4	0	0	0	111	Y453 R454 V471 V475 V480 F482	Y453-L473 WeakPolarHBondContact O-CD2 3.19Å; R454-L473 HydrophobicContact CB-CD1 4.45Å; V471-L473 HydrophobicContact CG1-CB 4.47Å; L473-V475 HydrophobicContact CD2-CG2 4.03Å; L473-V475 HydrophobicContact CG-CG2 4.23Å; L473-V475 PolarHBondContact O-N 2.84Å; L473-V480 PolarHBondContact N-O 3.48Å; L473-V480 PolarHBondContact O-N 3.44Å; L473-F482 HydrophobicContact CB-CD2 4.4Å; L473-F482 HydrophobicContact CB-CE2 4.19Å; L473-F482 HydrophobicContact CD2-CE2 4.32Å
474	K	94.4	Very high	93.4	Very high	153 Å²	153	65 Å²	65	67%	0.665	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	107.7	172	-169.2	171.3	-178.6	171.1	0	110.3	G477 K478	K474-G477 VanDerWaalsContact CE-O 3.27Å; K474-G477 WeakPolarHBondContact CE-O 3.26Å; K474-K478 CarbonylContact C-O 3.57Å; K474-K478 VanDerWaalsContact CA-O 3.29Å; K474-K478 WeakPolarHBondContact CA-O 3.49Å
475	V	90.6	Very high	93.1	Very high	32 Å²	32	65.3 Å²	65.3	19%	0.194	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.8	177.2	-178.5	0	0	0	0	108.8	E457 L473 G477 K478 V480 F482	E457-V475 WeakPolarHBondContact O-CG1 3.16Å; L473-V475 HydrophobicContact CD2-CG2 4.03Å; L473-V475 HydrophobicContact CG-CG2 4.23Å; L473-V475 PolarHBondContact O-N 2.84Å; V475-G477 PolarHBondContact O-N 2.82Å; V475-K478 PolarHBondContact N-O 2.96Å; V475-K478 PolarHBondContact O-N 3.24Å; V475-V480 HydrophobicContact CB-CG2 3.81Å; V475-V480 HydrophobicContact CG2-CB 4.21Å; V475-V480 HydrophobicContact CG2-CG2 3.9Å; V475-F482 HydrophobicContact CG2-CE2 4.21Å; V475-F482 HydrophobicContact CG2-CZ 4.33Å
476	S	89.9	Confident	93.2	Very high	124 Å²	124	66.6 Å²	66.6	87%	0.867	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	39	179	-59.1	0	0	0	0	113.9	K478	S476-K478 VanDerWaalsContact C-N 3.34Å; S476-K478 PolarHBondContact O-N 3.02Å
477	G	89.8	Confident	93.6	Very high	56 Å²	56	66.9 Å²	66.9	58%	0.577	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-12	179.8	0	0	0	0	0	115.9	K474 V475	K474-G477 VanDerWaalsContact CE-O 3.27Å; K474-G477 WeakPolarHBondContact CE-O 3.26Å; V475-G477 PolarHBondContact O-N 2.82Å
478	K	92.6	Very high	93.7	Very high	161 Å²	161	64.7 Å²	64.7	70%	0.7	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.7	179.8	-63.2	-178.6	-179.9	179.9	0	111	K474 V475 S476	K474-K478 CarbonylContact C-O 3.57Å; K474-K478 VanDerWaalsContact CA-O 3.29Å; K474-K478 WeakPolarHBondContact CA-O 3.49Å; V475-K478 PolarHBondContact N-O 2.96Å; V475-K478 PolarHBondContact O-N 3.24Å; S476-K478 VanDerWaalsContact C-N 3.34Å; S476-K478 PolarHBondContact O-N 3.02Å
479	E	94.2	Very high	93.9	Very high	153 Å²	153	63.6 Å²	63.6	72%	0.715	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.4	169.2	-67.6	-175	136.9	0	0	109.4	L472	L472-E479 HydrophobicContact CD1-CB 4.28Å
480	V	95.4	Very high	94	Very high	44 Å²	44	56.7 Å²	56.7	27%	0.267	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.2	177.1	-175.5	0	0	0	0	107.8	L473 V475 F482	L473-V480 PolarHBondContact N-O 3.48Å; L473-V480 PolarHBondContact O-N 3.44Å; V475-V480 HydrophobicContact CB-CG2 3.81Å; V475-V480 HydrophobicContact CG2-CB 4.21Å; V475-V480 HydrophobicContact CG2-CG2 3.9Å; V480-F482 HydrophobicContact CB-CD2 4.42Å; V480-F482 HydrophobicContact CB-CE2 3.82Å; V480-F482 HydrophobicContact CB-CZ 4.08Å; V480-F482 HydrophobicContact CG1-CD1 4.26Å; V480-F482 HydrophobicContact CG1-CD2 4.02Å; V480-F482 HydrophobicContact CG1-CE1 3.81Å; V480-F482 HydrophobicContact CG1-CE2 3.54Å; V480-F482 HydrophobicContact CG1-CG 4.36Å; V480-F482 HydrophobicContact CG1-CZ 3.43Å; V480-F482 VanDerWaalsContact CG1-CZ 3.43Å
481	H	96.1	Very high	94.1	Very high	89 Å²	89	53.5 Å²	53.5	41%	0.412	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	101	179.9	-173.2	-141.6	0	0	0	109.3	D470 L472	D470-H481 WeakPolarHBondContact CB-NE2 3.34Å; D470-H481 IonicContact OD2-CE1 2.86Å; D470-H481 PolarHBondContact OD2-CE1 3.3Å; D470-H481 IonicContact OD2-NE2 3.3Å; D470-H481 PolarHBondContact OD2-NE2 2.99Å; L472-H481 HydrophobicContact CD1-CB 4.27Å
482	F	97.2	Very high	94.2	Very high	21 Å²	21	52.8 Å²	52.8	9%	0.092	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.3	178.5	-63.6	-79.3	0	0	0	110.6	Y453 D470 V471 L473 V475 V480 V531	Y453-F482 HydrophobicContact CD1-CD1 4.02Å; Y453-F482 HydrophobicContact CD1-CD2 4.3Å; Y453-F482 HydrophobicContact CD1-CE1 4.17Å; Y453-F482 HydrophobicContact CD1-CE2 4.44Å; Y453-F482 HydrophobicContact CD1-CG 4.08Å; Y453-F482 HydrophobicContact CD1-CZ 4.37Å; Y453-F482 HydrophobicContact CD2-CB 3.98Å; Y453-F482 HydrophobicContact CD2-CD2 4.3Å; Y453-F482 HydrophobicContact CD2-CG 4.12Å; Y453-F482 HydrophobicContact CE1-CB 4.33Å; Y453-F482 AromaticContact CE1-CD1 3.71Å; Y453-F482 HydrophobicContact CE1-CD1 3.71Å; Y453-F482 HydrophobicContact CE1-CE1 4.13Å; Y453-F482 HydrophobicContact CE1-CG 4.01Å; Y453-F482 HydrophobicContact CE2-CB 3.61Å; Y453-F482 HydrophobicContact CE2-CG 4.05Å; Y453-F482 HydrophobicContact CG-CD2 4.12Å; Y453-F482 HydrophobicContact CG-CE2 4.47Å; Y453-F482 HydrophobicContact CG-CG 4.15Å; Y453-F482 AromaticContact CZ-CD1 3.98Å; Y453-F482 AromaticContact CZ-CG 3.99Å; D470-F482 CarbonylContact C-O 3.6Å; D470-F482 WeakPolarHBondContact CA-O 3.43Å; V471-F482 HydrophobicContact CB-CB 4.3Å; V471-F482 PolarHBondContact N-O 3.48Å; V471-F482 PolarHBondContact O-N 3.37Å; L473-F482 HydrophobicContact CB-CD2 4.4Å; L473-F482 HydrophobicContact CB-CE2 4.19Å; L473-F482 HydrophobicContact CD2-CE2 4.32Å; V475-F482 HydrophobicContact CG2-CE2 4.21Å; V475-F482 HydrophobicContact CG2-CZ 4.33Å; V480-F482 HydrophobicContact CB-CD2 4.42Å; V480-F482 HydrophobicContact CB-CE2 3.82Å; V480-F482 HydrophobicContact CB-CZ 4.08Å; V480-F482 HydrophobicContact CG1-CD1 4.26Å; V480-F482 HydrophobicContact CG1-CD2 4.02Å; V480-F482 HydrophobicContact CG1-CE1 3.81Å; V480-F482 HydrophobicContact CG1-CE2 3.54Å; V480-F482 HydrophobicContact CG1-CG 4.36Å; V480-F482 HydrophobicContact CG1-CZ 3.43Å; V480-F482 VanDerWaalsContact CG1-CZ 3.43Å; F482-V531 WeakPolarHBondContact CA-O 3.46Å
483	Q	95.8	Very high	94.2	Very high	36 Å²	36	47.5 Å²	47.5	17%	0.168	26%	0.256	C	S	.	.			trans	-118.3	86.8	176.1	-56.8	-165.4	-53.2	0	0	107.9	D470 G485 V531 R533	D470-Q483 PolarHBondContact OD2-NE2 3.5Å; Q483-G485 PolarHBondContact O-N 3.13Å; Q483-V531 HydrophobicContact CB-CB 4.29Å; Q483-V531 HydrophobicContact CB-CG2 4.09Å; Q483-V531 HydrophobicContact CG-CB 4.13Å; Q483-V531 HydrophobicContact CG-CG2 4.28Å; Q483-V531 PolarHBondContact N-O 2.88Å; Q483-R533 HydrophobicContact CB-CG 4.26Å; Q483-R533 VanDerWaalsContact CD-NH2 3.31Å; Q483-R533 WeakPolarHBondContact O-CG 3.05Å
484	P	93.4	Very high	94.4	Very high	17 Å²	17	45.9 Å²	45.9	11%	0.11	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.5	134.2	-172.7	25.1	-33.8	0	0	0	111.6	A449 Y453 F462 F468	A449-P484 HydrophobicContact CB-CB 3.87Å; A449-P484 HydrophobicContact CB-CG 3.81Å; Y453-P484 HydrophobicContact CE2-CB 4.29Å; F462-P484 HydrophobicContact CD1-CB 3.79Å; F462-P484 HydrophobicContact CE1-CB 4.24Å; F468-P484 HydrophobicContact CB-CB 4.45Å; F468-P484 HydrophobicContact CB-CG 3.73Å
485	G	89.6	Confident	94.6	Very high	8 Å²	8	38.6 Å²	38.6	8%	0.082	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	146	175.8	0	0	0	0	0	112.3	A463 G464 Q483	A463-G485 WeakPolarHBondContact CA-O 3.31Å; G464-G485 PolarHBondContact N-O 3.32Å; Q483-G485 PolarHBondContact O-N 3.13Å
486	Q	92.7	Very high	95	Very high	29 Å²	29	37 Å²	37	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.6	169.1	-166.2	-169.4	0.9	0	0	110.1	G464 G465 N488 F535	G464-Q486 CarbonylContact O-C 3.59Å; G464-Q486 VanDerWaalsContact O-CA 3.28Å; G464-Q486 WeakPolarHBondContact O-CA 3.47Å; G465-Q486 WeakPolarHBondContact O-CG 3.42Å; G465-Q486 PolarHBondContact O-NE2 3.05Å; Q486-N488 HydrophobicContact CG-CB 4Å; Q486-N488 PolarHBondContact NE2-ND2 3.21Å; Q486-N488 PolarHBondContact O-N 3.43Å; Q486-F535 VanDerWaalsContact O-CD2 3.29Å; Q486-F535 WeakPolarHBondContact O-CD2 3.45Å
487	C	94.9	Very high	95.4	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.054	17%	0.165	C	C	.	.			trans	-77	72.5	172.7	-167.6	0	0	0	0	109.7	L438 A463 G464 F535	L438-C487 HydrophobicContact CD2-CB 3.62Å; A463-C487 HydrophobicContact CB-CB 4.37Å; G464-C487 PolarHBondContact O-N 2.93Å; C487-F535 VanDerWaalsContact CA-CE2 3.41Å; C487-F535 HydrophobicContact CB-CE2 3.74Å; C487-F535 HydrophobicContact CB-CZ 3.87Å
488	N	91.9	Very high	95.8	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.043	14%	0.138	C	C	.	.			trans	-105.8	128.9	-175	-170.1	-31.2	0	0	0	111.2	V305 Q486 S490 Y491	V305-N488 WeakPolarHBondContact CG2-O 3.49Å; Q486-N488 HydrophobicContact CG-CB 4Å; Q486-N488 PolarHBondContact NE2-ND2 3.21Å; Q486-N488 PolarHBondContact O-N 3.43Å; N488-S490 VanDerWaalsContact CG-OG 3.25Å; N488-S490 PolarHBondContact O-N 3.24Å; N488-S490 WeakPolarHBondContact OD1-CB 3.17Å; N488-S490 PolarHBondContact OD1-N 3.04Å; N488-S490 PolarHBondContact OD1-OG 2.84Å; N488-Y491 WeakPolarHBondContact O-CD2 3.4Å; N488-Y491 PolarHBondContact O-N 2.88Å; N488-Y491 VanDerWaalsContact O-N 3.12Å
489	N	94.2	Very high	96.1	Very high	14 Å²	14	20.9 Å²	20.9	8%	0.075	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-54.9	-19.7	178.8	-56.3	7.2	0	0	0	113.4	D297 T302 Y491 I492 F493	D297-N489 PolarHBondContact O-ND2 3.35Å; D297-N489 WeakPolarHBondContact OD2-CB 3.4Å; D297-N489 PolarHBondContact OD2-ND2 3.23Å; T302-N489 WeakPolarHBondContact CA-OD1 3.29Å; T302-N489 PolarHBondContact OG1-ND2 3Å; T302-N489 PolarHBondContact OG1-OD1 3.48Å; N489-Y491 PolarHBondContact O-N 2.96Å; N489-I492 PolarHBondContact O-N 2.9Å; N489-F493 VanDerWaalsContact C-CD1 3.49Å; N489-F493 HydrophobicContact CB-CD1 3.99Å; N489-F493 HydrophobicContact CB-CE1 4.4Å; N489-F493 WeakPolarHBondContact O-CD1 3.47Å; N489-F493 PolarHBondContact O-N 3.23Å; N489-F493 VanDerWaalsContact O-N 3.17Å
490	S	95.7	Very high	96.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-55.8	-18.1	174.6	66.2	0	0	0	0	114.7	N488 F493 P494	N488-S490 VanDerWaalsContact CG-OG 3.25Å; N488-S490 PolarHBondContact O-N 3.24Å; N488-S490 WeakPolarHBondContact OD1-CB 3.17Å; N488-S490 PolarHBondContact OD1-N 3.04Å; N488-S490 PolarHBondContact OD1-OG 2.84Å; S490-F493 VanDerWaalsContact CA-CE1 3.41Å; S490-P494 VanDerWaalsContact O-CD 3.23Å; S490-P494 WeakPolarHBondContact O-CD 3.28Å; S490-P494 VanDerWaalsContact O-CG 3.25Å; S490-P494 WeakPolarHBondContact O-CG 3.39Å
491	Y	98	Very high	96.4	Very high	10 Å²	10	11.9 Å²	11.9	4%	0.039	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-76.7	-20.3	171.1	-73.8	-79.9	0	0	0	113.8	N488 N489 L520 F535 P536 L538 I541 V544 I548	N488-Y491 WeakPolarHBondContact O-CD2 3.4Å; N488-Y491 PolarHBondContact O-N 2.88Å; N488-Y491 VanDerWaalsContact O-N 3.12Å; N489-Y491 PolarHBondContact O-N 2.96Å; Y491-L520 HydrophobicContact CD1-CD1 3.77Å; Y491-L520 HydrophobicContact CG-CD1 4.11Å; Y491-L520 HydrophobicContact CG-CD2 4.19Å; Y491-F535 HydrophobicContact CE1-CB 4.45Å; Y491-F535 HydrophobicContact CE2-CB 4.03Å; Y491-F535 HydrophobicContact CE2-CG 4.3Å; Y491-P536 WeakPolarHBondContact CE1-O 3.46Å; Y491-P536 PolarHBondContact OH-O 3.1Å; Y491-L538 HydrophobicContact CE1-CD2 4.28Å; Y491-L538 HydrophobicContact CE2-CD2 4Å; Y491-L538 WeakPolarHBondContact OH-CD2 3.49Å; Y491-I541 HydrophobicContact CD1-CD1 3.87Å; Y491-I541 HydrophobicContact CD1-CG1 3.98Å; Y491-I541 HydrophobicContact CE1-CD1 3.99Å; Y491-I541 HydrophobicContact CE1-CG1 4.18Å; Y491-I541 HydrophobicContact CG-CD1 4.25Å; Y491-V544 HydrophobicContact CD1-CG1 4.39Å; Y491-I548 WeakPolarHBondContact O-CD1 3.21Å
492	I	98.6	Very high	96.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-62.7	-171.1	-61.2	-65.6	0	0	0	111.4	A304 V305 N489 P494 G495 V496 F513 A516 L520 I548	A304-I492 HydrophobicContact CB-CB 4.34Å; A304-I492 HydrophobicContact CB-CD1 3.82Å; A304-I492 HydrophobicContact CB-CG1 3.78Å; A304-I492 HydrophobicContact CB-CG2 3.74Å; V305-I492 HydrophobicContact CB-CG1 3.85Å; N489-I492 PolarHBondContact O-N 2.9Å; I492-P494 VanDerWaalsContact C-N 3.32Å; I492-G495 PolarHBondContact O-N 3.35Å; I492-G495 VanDerWaalsContact O-N 3.15Å; I492-V496 HydrophobicContact CG2-CG2 3.81Å; I492-V496 WeakPolarHBondContact O-CG2 3.48Å; I492-V496 PolarHBondContact O-N 3.13Å; I492-F513 HydrophobicContact CG2-CD1 4.19Å; I492-F513 HydrophobicContact CG2-CE1 4.49Å; I492-A516 HydrophobicContact CD1-CB 4.12Å; I492-A516 HydrophobicContact CG2-CB 4.36Å; I492-L520 HydrophobicContact CD1-CB 4.41Å; I492-L520 HydrophobicContact CD1-CD2 3.73Å; I492-L520 HydrophobicContact CG1-CD2 4.34Å; I492-I548 HydrophobicContact CD1-CD1 4.47Å
493	F	98.2	Very high	96.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-58.2	-34.9	-168.2	73.8	-105	0	0	0	114.1	K202 L205 Y206 F295 D297 N489 S490 G497	K202-F493 HydrophobicContact CD-CD1 4.25Å; K202-F493 HydrophobicContact CD-CE1 3.68Å; K202-F493 HydrophobicContact CD-CE2 4.17Å; K202-F493 HydrophobicContact CD-CZ 3.65Å; L205-F493 HydrophobicContact CB-CE2 3.96Å; L205-F493 HydrophobicContact CB-CZ 3.74Å; L205-F493 HydrophobicContact CD1-CZ 3.84Å; L205-F493 HydrophobicContact CG-CZ 4.43Å; Y206-F493 AromaticContact CD2-CD2 3.59Å; Y206-F493 HydrophobicContact CD2-CD2 3.59Å; Y206-F493 AromaticContact CD2-CE2 3.62Å; Y206-F493 HydrophobicContact CD2-CE2 3.62Å; Y206-F493 AromaticContact CE2-CD2 3.27Å; Y206-F493 HydrophobicContact CE2-CD2 3.27Å; Y206-F493 AromaticContact CE2-CE2 3.77Å; Y206-F493 HydrophobicContact CE2-CE2 3.77Å; Y206-F493 HydrophobicContact CE2-CG 4.32Å; F295-F493 HydrophobicContact CE2-CB 4.48Å; F295-F493 HydrophobicContact CZ-CB 4.2Å; D297-F493 VanDerWaalsContact OD1-CB 3.31Å; D297-F493 WeakPolarHBondContact OD1-CB 3.31Å; N489-F493 VanDerWaalsContact C-CD1 3.49Å; N489-F493 HydrophobicContact CB-CD1 3.99Å; N489-F493 HydrophobicContact CB-CE1 4.4Å; N489-F493 WeakPolarHBondContact O-CD1 3.47Å; N489-F493 PolarHBondContact O-N 3.23Å; N489-F493 VanDerWaalsContact O-N 3.17Å; S490-F493 VanDerWaalsContact CA-CE1 3.41Å; F493-G497 WeakPolarHBondContact O-CA 3.36Å; F493-G497 PolarHBondContact O-N 3.32Å
494	P	98.5	Very high	96.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.7	-46.4	178.6	-21.8	34.9	0	0	0	111.9	L209 A210 S490 I492 G497 L498	L209-P494 HydrophobicContact CB-CB 3.94Å; L209-P494 HydrophobicContact CB-CG 3.95Å; L209-P494 HydrophobicContact CD1-CG 3.99Å; L209-P494 HydrophobicContact CG-CG 4.5Å; A210-P494 HydrophobicContact CB-CB 3.44Å; A210-P494 VanDerWaalsContact CB-CB 3.44Å; A210-P494 WeakPolarHBondContact CB-O 3.39Å; S490-P494 VanDerWaalsContact O-CD 3.23Å; S490-P494 WeakPolarHBondContact O-CD 3.28Å; S490-P494 VanDerWaalsContact O-CG 3.25Å; S490-P494 WeakPolarHBondContact O-CG 3.39Å; I492-P494 VanDerWaalsContact C-N 3.32Å; P494-G497 PolarHBondContact O-N 2.68Å; P494-L498 WeakPolarHBondContact O-CB 3.24Å; P494-L498 PolarHBondContact O-N 2.89Å
495	G	98.6	Very high	96.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-67.4	-45.2	-179.2	0	0	0	0	0	112.3	I492 G497 L498 A499 S545 A549	I492-G495 PolarHBondContact O-N 3.35Å; I492-G495 VanDerWaalsContact O-N 3.15Å; G495-G497 VanDerWaalsContact C-N 3.34Å; G495-G497 PolarHBondContact O-N 3.44Å; G495-L498 PolarHBondContact O-N 2.92Å; G495-A499 PolarHBondContact O-N 3.09Å; G495-A499 VanDerWaalsContact O-N 3.13Å; G495-S545 VanDerWaalsContact CA-O 3.23Å; G495-S545 WeakPolarHBondContact CA-O 3.41Å; G495-A549 WeakPolarHBondContact O-CA 3.39Å; G495-A549 VanDerWaalsContact O-CB 3.25Å; G495-A549 WeakPolarHBondContact O-CB 3.49Å
496	V	98.8	Very high	97.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.5	-47.1	173.6	172.1	0	0	0	0	110.4	I492 L498 A499 I500 F513 A516 I548 V552	I492-V496 HydrophobicContact CG2-CG2 3.81Å; I492-V496 WeakPolarHBondContact O-CG2 3.48Å; I492-V496 PolarHBondContact O-N 3.13Å; V496-L498 PolarHBondContact O-N 2.9Å; V496-A499 PolarHBondContact O-N 3.16Å; V496-I500 HydrophobicContact CG1-CD1 3.6Å; V496-I500 HydrophobicContact CG1-CG1 4.33Å; V496-I500 VanDerWaalsContact O-CG1 3.29Å; V496-I500 WeakPolarHBondContact O-CG1 3.39Å; V496-I500 PolarHBondContact O-N 3.24Å; V496-F513 HydrophobicContact CG1-CE1 4.31Å; V496-F513 HydrophobicContact CG1-CZ 4.41Å; V496-A516 HydrophobicContact CG2-CB 3.82Å; V496-I548 HydrophobicContact CG2-CG2 4.18Å; V496-V552 HydrophobicContact CG2-CG2 4.29Å
497	G	98.5	Very high	97.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.9	-38.7	177.6	0	0	0	0	0	114.1	F493 P494 G495 I500 T501	F493-G497 WeakPolarHBondContact O-CA 3.36Å; F493-G497 PolarHBondContact O-N 3.32Å; P494-G497 PolarHBondContact O-N 2.68Å; G495-G497 VanDerWaalsContact C-N 3.34Å; G495-G497 PolarHBondContact O-N 3.44Å; G497-I500 PolarHBondContact O-N 2.75Å; G497-T501 WeakPolarHBondContact O-CB 3.44Å; G497-T501 VanDerWaalsContact O-CG2 3.24Å; G497-T501 WeakPolarHBondContact O-CG2 3.3Å; G497-T501 PolarHBondContact O-N 3.07Å; G497-T501 PolarHBondContact O-OG1 2.93Å
498	L	98.7	Very high	97.6	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-62.7	-46.7	174.4	-177.2	68.5	0	0	0	111.5	A210 V212 P494 G495 V496 T501 L502 A549 M579	A210-L498 HydrophobicContact CB-CB 4.01Å; A210-L498 HydrophobicContact CB-CD2 4.41Å; A210-L498 WeakPolarHBondContact O-CD1 3.24Å; A210-L498 VanDerWaalsContact O-CD2 3.3Å; A210-L498 WeakPolarHBondContact O-CD2 3.43Å; V212-L498 HydrophobicContact CG2-CB 4.23Å; V212-L498 HydrophobicContact CG2-CD1 3.89Å; P494-L498 WeakPolarHBondContact O-CB 3.24Å; P494-L498 PolarHBondContact O-N 2.89Å; G495-L498 PolarHBondContact O-N 2.92Å; V496-L498 PolarHBondContact O-N 2.9Å; L498-T501 PolarHBondContact O-N 3.08Å; L498-T501 PolarHBondContact O-OG1 2.92Å; L498-L502 HydrophobicContact CD1-CD1 3.52Å; L498-L502 HydrophobicContact CD1-CG 4.06Å; L498-L502 HydrophobicContact CG-CD1 4.02Å; L498-L502 WeakPolarHBondContact O-CB 3.33Å; L498-L502 WeakPolarHBondContact O-CG 3.21Å; L498-L502 PolarHBondContact O-N 3.27Å; L498-A549 HydrophobicContact CB-CB 4.08Å; L498-A549 HydrophobicContact CD2-CB 3.78Å; L498-A549 HydrophobicContact CG-CB 4.17Å; L498-M579 HydrophobicContact CD2-CG 4.03Å; L498-M579 HydrophobicContact CD2-SD 4.47Å
499	A	98.8	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.1	-47.8	176.8	0	0	0	0	0	111.6	G495 V496 T501 L502 C503 I505 A549 V552 A553	G495-A499 PolarHBondContact O-N 3.09Å; G495-A499 VanDerWaalsContact O-N 3.13Å; V496-A499 PolarHBondContact O-N 3.16Å; A499-T501 PolarHBondContact O-N 2.73Å; A499-L502 PolarHBondContact O-N 2.93Å; A499-C503 VanDerWaalsContact O-CB 3.28Å; A499-C503 WeakPolarHBondContact O-CB 3.39Å; A499-C503 PolarHBondContact O-N 3.07Å; A499-I505 HydrophobicContact CB-CD1 3.86Å; A499-A549 HydrophobicContact CB-CB 4.16Å; A499-A549 WeakPolarHBondContact CB-O 3.42Å; A499-V552 HydrophobicContact CB-CB 3.96Å; A499-V552 HydrophobicContact CB-CG1 3.64Å; A499-A553 HydrophobicContact CB-CB 4.44Å
500	I	98.6	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.1	-50.4	179.5	-67.8	167	0	0	0	110.7	L270 C293 F295 V496 G497 L502 Q504 I505 V508	L270-I500 HydrophobicContact CB-CG2 4Å; L270-I500 HydrophobicContact CD1-CD1 4.17Å; L270-I500 HydrophobicContact CD1-CG2 4.35Å; L270-I500 HydrophobicContact CD2-CD1 4.41Å; L270-I500 HydrophobicContact CD2-CG2 4.41Å; L270-I500 HydrophobicContact CG-CG2 4.49Å; C293-I500 WeakPolarHBondContact SG-CG2 3.25Å; F295-I500 HydrophobicContact CD1-CD1 4.2Å; F295-I500 HydrophobicContact CE1-CD1 4.25Å; V496-I500 HydrophobicContact CG1-CD1 3.6Å; V496-I500 HydrophobicContact CG1-CG1 4.33Å; V496-I500 VanDerWaalsContact O-CG1 3.29Å; V496-I500 WeakPolarHBondContact O-CG1 3.39Å; V496-I500 PolarHBondContact O-N 3.24Å; G497-I500 PolarHBondContact O-N 2.75Å; I500-L502 PolarHBondContact O-N 2.72Å; I500-Q504 WeakPolarHBondContact O-CA 3.43Å; I500-Q504 PolarHBondContact O-N 3.05Å; I500-I505 HydrophobicContact CB-CB 4.47Å; I500-I505 HydrophobicContact CG1-CB 4.17Å; I500-I505 HydrophobicContact CG1-CD1 4.38Å; I500-I505 PolarHBondContact O-N 3.26Å; I500-I505 VanDerWaalsContact O-N 3.16Å; I500-V508 HydrophobicContact CD1-CG1 3.81Å; I500-V508 HydrophobicContact CD1-CG2 3.84Å; I500-V508 HydrophobicContact CG1-CG2 4.38Å
501	T	98.1	Very high	97.5	Very high	9 Å²	9	17.3 Å²	17.3	6%	0.055	9%	0.085	C	C	.	.	H	α-helix	trans	-73.2	-27.7	-173.5	56.2	0	0	0	0	114.4	K175 A176 L270 G497 L498 A499	K175-T501 HydrophobicContact CB-CG2 3.93Å; K175-T501 WeakPolarHBondContact O-CG2 3.36Å; A176-T501 HydrophobicContact CB-CG2 4.14Å; L270-T501 HydrophobicContact CB-CG2 4.23Å; L270-T501 HydrophobicContact CD2-CG2 4.43Å; G497-T501 WeakPolarHBondContact O-CB 3.44Å; G497-T501 VanDerWaalsContact O-CG2 3.24Å; G497-T501 WeakPolarHBondContact O-CG2 3.3Å; G497-T501 PolarHBondContact O-N 3.07Å; G497-T501 PolarHBondContact O-OG1 2.93Å; L498-T501 PolarHBondContact O-N 3.08Å; L498-T501 PolarHBondContact O-OG1 2.92Å; A499-T501 PolarHBondContact O-N 2.73Å
502	L	98	Very high	97.5	Very high	18 Å²	18	16.9 Å²	16.9	9%	0.094	8%	0.083	C	C	.	.	H	α-helix	trans	-92.3	-38.5	179.3	-67.2	-175.6	0	0	0	112.9	L498 A499 I500 Y574 L575 K578	L498-L502 HydrophobicContact CD1-CD1 3.52Å; L498-L502 HydrophobicContact CD1-CG 4.06Å; L498-L502 HydrophobicContact CG-CD1 4.02Å; L498-L502 WeakPolarHBondContact O-CB 3.33Å; L498-L502 WeakPolarHBondContact O-CG 3.21Å; L498-L502 PolarHBondContact O-N 3.27Å; A499-L502 PolarHBondContact O-N 2.93Å; I500-L502 PolarHBondContact O-N 2.72Å; L502-Y574 HydrophobicContact CB-CE1 4Å; L502-Y574 PolarHBondContact O-OH 3.23Å; L502-L575 HydrophobicContact CB-CD2 3.75Å; L502-L575 HydrophobicContact CD1-CD2 3.57Å; L502-L575 HydrophobicContact CG-CD2 4.28Å; L502-K578 HydrophobicContact CD1-CB 3.61Å; L502-K578 HydrophobicContact CD1-CG 4.44Å; L502-K578 HydrophobicContact CD2-CB 4Å; L502-K578 HydrophobicContact CD2-CG 4.48Å; L502-K578 HydrophobicContact CG-CB 4.5Å
503	C	98.4	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-92.3	0	178.7	-60.7	0	0	0	0	113.4	A499 I505 Y557 H563 Y564	A499-C503 VanDerWaalsContact O-CB 3.28Å; A499-C503 WeakPolarHBondContact O-CB 3.39Å; A499-C503 PolarHBondContact O-N 3.07Å; C503-I505 VanDerWaalsContact C-N 3.3Å; C503-I505 HydrophobicContact CB-CD1 4.39Å; C503-I505 HydrophobicContact CB-CG1 3.93Å; C503-I505 PolarHBondContact O-N 2.9Å; C503-Y557 HydrophobicContact CB-CE2 4.18Å; C503-H563 PolarHBondContact O-N 2.94Å; C503-Y564 WeakPolarHBondContact O-CB 3.44Å; C503-Y564 PolarHBondContact O-N 3.31Å
504	Q	97.8	Very high	97.5	Very high	68 Å²	68	16.9 Å²	16.9	32%	0.318	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	44.9	-178.7	-61.5	-179	-10.9	0	0	112	H268 I500 R506 H563	H268-Q504 HydrophobicContact CB-CB 3.96Å; H268-Q504 HydrophobicContact CB-CG 4.13Å; H268-Q504 PolarHBondContact ND1-O 3.34Å; I500-Q504 WeakPolarHBondContact O-CA 3.43Å; I500-Q504 PolarHBondContact O-N 3.05Å; Q504-R506 PolarHBondContact O-N 3.25Å; Q504-H563 HydrophobicContact CB-CB 3.99Å; Q504-H563 PolarHBondContact O-CD2 3.4Å; Q504-H563 PolarHBondContact O-N 3.34Å; Q504-H563 PolarHBondContact OE1-O 3.27Å
505	I	98.3	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-67	124.1	-175	-57	174.1	0	0	0	110	C293 A499 I500 C503 L512 V552 A556 I561	C293-I505 PolarHBondContact SG-O 2.9Å; A499-I505 HydrophobicContact CB-CD1 3.86Å; I500-I505 HydrophobicContact CB-CB 4.47Å; I500-I505 HydrophobicContact CG1-CB 4.17Å; I500-I505 HydrophobicContact CG1-CD1 4.38Å; I500-I505 PolarHBondContact O-N 3.26Å; I500-I505 VanDerWaalsContact O-N 3.16Å; C503-I505 VanDerWaalsContact C-N 3.3Å; C503-I505 HydrophobicContact CB-CD1 4.39Å; C503-I505 HydrophobicContact CB-CG1 3.93Å; C503-I505 PolarHBondContact O-N 2.9Å; I505-L512 HydrophobicContact CG2-CD1 3.85Å; I505-V552 HydrophobicContact CD1-CG1 3.93Å; I505-A556 HydrophobicContact CD1-CB 3.66Å; I505-A556 HydrophobicContact CG1-CB 3.9Å; I505-A556 HydrophobicContact CG2-CB 4.03Å; I505-I561 WeakPolarHBondContact CA-O 3.25Å; I505-I561 HydrophobicContact CG2-CD1 3.9Å; I505-I561 HydrophobicContact CG2-CG1 4.19Å
506	R	96.6	Very high	97.4	Very high	51 Å²	51	18.4 Å²	18.4	19%	0.192	9%	0.091	C	C	.	.			trans	-159.1	132.7	173.9	176.9	174.5	162.3	162.2	-5.3	111	N267 S291 Q504 I561 H563	N267-R506 WeakPolarHBondContact O-CD 3.26Å; N267-R506 PolarHBondContact O-NH1 2.99Å; N267-R506 PolarHBondContact OD1-NH1 3.26Å; S291-R506 VanDerWaalsContact O-CZ 3.29Å; S291-R506 PolarHBondContact O-NH2 2.67Å; Q504-R506 PolarHBondContact O-N 3.25Å; R506-I561 PolarHBondContact N-O 3.03Å; R506-H563 PolarHBondContact O-NE2 3.36Å
507	P	96.7	Very high	97.4	Very high	39 Å²	39	18.4 Å²	18.4	25%	0.253	9%	0.091	S	C	.	.	S	Bend	cis	-70.1	164.8	-3.1	30.9	-36.6	0	0	0	113.2	L509	P507-L509 HydrophobicContact CB-CD2 4.47Å; P507-L509 HydrophobicContact CG-CD2 3.78Å; P507-L509 HydrophobicContact CG-CG 4.48Å; P507-L509 PolarHBondContact O-N 3.04Å
508	V	97.8	Very high	97.4	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.03	11%	0.108	C	C	.	.			trans	-88.2	91	175.8	-173.7	0	0	0	0	108.6	T294 F295 I500 L512 F513	T294-V508 WeakPolarHBondContact O-CB 3.35Å; F295-V508 HydrophobicContact CB-CG1 4.15Å; F295-V508 HydrophobicContact CD1-CG1 4.42Å; I500-V508 HydrophobicContact CD1-CG1 3.81Å; I500-V508 HydrophobicContact CD1-CG2 3.84Å; I500-V508 HydrophobicContact CG1-CG2 4.38Å; V508-L512 HydrophobicContact CG1-CD1 4.2Å; V508-F513 HydrophobicContact CG1-CE2 3.98Å; V508-F513 HydrophobicContact CG1-CZ 4.26Å
509	L	94.6	Very high	97.4	Very high	49 Å²	49	22.8 Å²	22.8	26%	0.257	11%	0.113	S	C	.	.			trans	-70	148.4	-174.9	-59	-179.1	0	0	0	112.9	P507 E511 L512 I561	P507-L509 HydrophobicContact CB-CD2 4.47Å; P507-L509 HydrophobicContact CG-CD2 3.78Å; P507-L509 HydrophobicContact CG-CG 4.48Å; P507-L509 PolarHBondContact O-N 3.04Å; L509-E511 WeakPolarHBondContact CB-OE2 3.44Å; L509-E511 PolarHBondContact O-N 3.31Å; L509-L512 HydrophobicContact CB-CG 4.22Å; L509-L512 WeakPolarHBondContact O-CB 3.48Å; L509-L512 WeakPolarHBondContact O-CG 3.38Å; L509-L512 PolarHBondContact O-N 3.04Å; L509-L512 VanDerWaalsContact O-N 3.09Å; L509-I561 HydrophobicContact CD1-CD1 3.71Å; L509-I561 HydrophobicContact CG-CD1 3.9Å
510	Q	92.6	Very high	97.4	Very high	44 Å²	44	22.8 Å²	22.8	21%	0.206	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-33.5	175.4	-172.1	67.7	4.4	0	0	111.9	L341 L512 F513	L341-Q510 HydrophobicContact CD1-CG 3.92Å; L341-Q510 VanDerWaalsContact CD1-NE2 3.31Å; Q510-L512 PolarHBondContact O-N 3.39Å; Q510-F513 WeakPolarHBondContact O-CB 3.45Å; Q510-F513 PolarHBondContact O-N 3.17Å; Q510-F513 VanDerWaalsContact O-N 3.07Å
511	E	94.1	Very high	97.4	Very high	70 Å²	70	23.1 Å²	23.1	33%	0.327	12%	0.116	S	C	.	.	H	α-helix	trans	-61.9	-28.7	178.2	-65.1	91.3	148.1	0	0	112.6	L509 F513 V514 I515 Y555	L509-E511 WeakPolarHBondContact CB-OE2 3.44Å; L509-E511 PolarHBondContact O-N 3.31Å; E511-F513 PolarHBondContact O-N 3.07Å; E511-V514 WeakPolarHBondContact O-CB 3.38Å; E511-V514 PolarHBondContact O-N 3.33Å; E511-I515 WeakPolarHBondContact O-CG1 3.36Å; E511-I515 PolarHBondContact O-N 3.41Å; E511-Y555 HydrophobicContact CB-CE1 3.93Å
512	L	97.7	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-32.6	176	-58.4	178.4	0	0	0	111.4	I505 V508 L509 Q510 I515 A516 V552 Y555 A556 I561	I505-L512 HydrophobicContact CG2-CD1 3.85Å; V508-L512 HydrophobicContact CG1-CD1 4.2Å; L509-L512 HydrophobicContact CB-CG 4.22Å; L509-L512 WeakPolarHBondContact O-CB 3.48Å; L509-L512 WeakPolarHBondContact O-CG 3.38Å; L509-L512 PolarHBondContact O-N 3.04Å; L509-L512 VanDerWaalsContact O-N 3.09Å; Q510-L512 PolarHBondContact O-N 3.39Å; L512-I515 PolarHBondContact O-N 3.32Å; L512-A516 WeakPolarHBondContact O-CB 3.17Å; L512-A516 PolarHBondContact O-N 2.97Å; L512-V552 HydrophobicContact CB-CG1 4.34Å; L512-V552 HydrophobicContact CD1-CG1 4.47Å; L512-V552 HydrophobicContact CD2-CG1 4.18Å; L512-Y555 HydrophobicContact CD2-CD1 3.65Å; L512-Y555 HydrophobicContact CD2-CE1 4.29Å; L512-A556 HydrophobicContact CD2-CB 4.25Å; L512-I561 HydrophobicContact CD1-CD1 4.44Å; L512-I561 HydrophobicContact CD2-CD1 4.46Å
513	F	98.2	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-74.8	-30.8	176.8	-66.8	-81.5	0	0	0	112.5	F295 Q300 A304 L341 I492 V496 V508 Q510 E511 A517	F295-F513 HydrophobicContact CB-CE2 4.22Å; F295-F513 HydrophobicContact CB-CZ 3.72Å; F295-F513 HydrophobicContact CD1-CZ 4.31Å; F295-F513 HydrophobicContact CD2-CE1 4.16Å; F295-F513 AromaticContact CD2-CZ 3.78Å; F295-F513 HydrophobicContact CD2-CZ 3.78Å; F295-F513 HydrophobicContact CE2-CE1 4.48Å; F295-F513 HydrophobicContact CE2-CZ 4.46Å; F295-F513 HydrophobicContact CG-CE1 4.49Å; F295-F513 AromaticContact CG-CZ 3.72Å; F295-F513 HydrophobicContact CG-CZ 3.72Å; Q300-F513 HydrophobicContact CB-CD1 3.91Å; Q300-F513 HydrophobicContact CB-CD2 3.89Å; Q300-F513 HydrophobicContact CB-CE1 3.73Å; Q300-F513 HydrophobicContact CB-CE2 3.71Å; Q300-F513 HydrophobicContact CB-CG 3.99Å; Q300-F513 HydrophobicContact CB-CZ 3.63Å; Q300-F513 HydrophobicContact CG-CD2 4.49Å; Q300-F513 HydrophobicContact CG-CE2 4.24Å; Q300-F513 WeakPolarHBondContact O-CD1 3.35Å; A304-F513 HydrophobicContact CB-CB 4.03Å; A304-F513 HydrophobicContact CB-CD1 4.13Å; A304-F513 WeakPolarHBondContact CB-O 3.25Å; L341-F513 HydrophobicContact CD1-CB 3.9Å; L341-F513 HydrophobicContact CD2-CB 4.15Å; I492-F513 HydrophobicContact CG2-CD1 4.19Å; I492-F513 HydrophobicContact CG2-CE1 4.49Å; V496-F513 HydrophobicContact CG1-CE1 4.31Å; V496-F513 HydrophobicContact CG1-CZ 4.41Å; V508-F513 HydrophobicContact CG1-CE2 3.98Å; V508-F513 HydrophobicContact CG1-CZ 4.26Å; Q510-F513 WeakPolarHBondContact O-CB 3.45Å; Q510-F513 PolarHBondContact O-N 3.17Å; Q510-F513 VanDerWaalsContact O-N 3.07Å; E511-F513 PolarHBondContact O-N 3.07Å; F513-A517 VanDerWaalsContact O-CB 3.31Å; F513-A517 WeakPolarHBondContact O-CB 3.21Å; F513-A517 PolarHBondContact O-N 3.2Å
514	V	97.2	Very high	97.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-67	-46.7	170.1	-175.6	0	0	0	0	110.1	L341 T344 L348 E511 A516 A517 E518	L341-V514 HydrophobicContact CD1-CG2 3.47Å; L341-V514 VanDerWaalsContact CD1-CG2 3.47Å; L341-V514 HydrophobicContact CG-CG2 4.08Å; T344-V514 HydrophobicContact CG2-CG2 4.07Å; L348-V514 HydrophobicContact CD1-CB 4.24Å; L348-V514 HydrophobicContact CD1-CG1 3.75Å; L348-V514 HydrophobicContact CD1-CG2 4.24Å; E511-V514 WeakPolarHBondContact O-CB 3.38Å; E511-V514 PolarHBondContact O-N 3.33Å; V514-A516 VanDerWaalsContact C-N 3.32Å; V514-A516 PolarHBondContact O-N 3.37Å; V514-A517 WeakPolarHBondContact O-CB 3.29Å; V514-A517 PolarHBondContact O-N 3.23Å; V514-A517 VanDerWaalsContact O-N 3.1Å; V514-E518 HydrophobicContact CG1-CG 4.38Å; V514-E518 WeakPolarHBondContact O-CG 3.41Å; V514-E518 PolarHBondContact O-N 3.38Å
515	I	98	Very high	97.3	Very high	32 Å²	32	28.9 Å²	28.9	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-42.3	177.4	-62.2	-56	0	0	0	111.2	E511 L512 A517 C519 R551 Y555	E511-I515 WeakPolarHBondContact O-CG1 3.36Å; E511-I515 PolarHBondContact O-N 3.41Å; L512-I515 PolarHBondContact O-N 3.32Å; I515-A517 VanDerWaalsContact C-N 3.33Å; I515-A517 PolarHBondContact O-N 3.14Å; I515-C519 VanDerWaalsContact O-CB 3.3Å; I515-C519 WeakPolarHBondContact O-CB 3.35Å; I515-C519 PolarHBondContact O-N 2.96Å; I515-R551 HydrophobicContact CG2-CB 3.9Å; I515-Y555 HydrophobicContact CD1-CD2 3.86Å; I515-Y555 HydrophobicContact CD1-CE2 4.11Å; I515-Y555 HydrophobicContact CD1-CG 4.41Å; I515-Y555 HydrophobicContact CG1-CD1 4.31Å; I515-Y555 HydrophobicContact CG1-CD2 3.81Å; I515-Y555 HydrophobicContact CG1-CE2 4.18Å; I515-Y555 HydrophobicContact CG1-CG 3.85Å
516	A	98.7	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-41.8	174.1	0	0	0	0	0	111.8	I492 V496 L512 V514 C519 L520 I548 V552	I492-A516 HydrophobicContact CD1-CB 4.12Å; I492-A516 HydrophobicContact CG2-CB 4.36Å; V496-A516 HydrophobicContact CG2-CB 3.82Å; L512-A516 WeakPolarHBondContact O-CB 3.17Å; L512-A516 PolarHBondContact O-N 2.97Å; V514-A516 VanDerWaalsContact C-N 3.32Å; V514-A516 PolarHBondContact O-N 3.37Å; A516-C519 PolarHBondContact O-N 3.07Å; A516-L520 WeakPolarHBondContact O-CB 3.46Å; A516-L520 PolarHBondContact O-N 3.01Å; A516-I548 HydrophobicContact CB-CG2 3.76Å; A516-V552 HydrophobicContact CB-CG2 4.17Å
517	A	98.5	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-45.4	178.8	0	0	0	0	0	112.8	A304 V307 A308 F513 V514 I515 L520 A521	A304-A517 HydrophobicContact CB-CB 4.43Å; A304-A517 WeakPolarHBondContact O-CB 3.04Å; V307-A517 HydrophobicContact CB-CB 4.12Å; V307-A517 HydrophobicContact CG1-CB 4.02Å; A308-A517 HydrophobicContact CB-CB 4.11Å; A308-A517 VanDerWaalsContact CB-O 3.28Å; A308-A517 WeakPolarHBondContact CB-O 3.26Å; F513-A517 VanDerWaalsContact O-CB 3.31Å; F513-A517 WeakPolarHBondContact O-CB 3.21Å; F513-A517 PolarHBondContact O-N 3.2Å; V514-A517 WeakPolarHBondContact O-CB 3.29Å; V514-A517 PolarHBondContact O-N 3.23Å; V514-A517 VanDerWaalsContact O-N 3.1Å; I515-A517 VanDerWaalsContact C-N 3.33Å; I515-A517 PolarHBondContact O-N 3.14Å; A517-L520 PolarHBondContact O-N 3.22Å; A517-A521 WeakPolarHBondContact O-CB 3.49Å; A517-A521 PolarHBondContact O-N 3.27Å
518	E	98	Very high	97.2	Very high	78 Å²	78	34.8 Å²	34.8	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-43.3	176.2	-71.6	178.1	167.4	0	0	111.6	L311 V514 A521 G522	L311-E518 HydrophobicContact CD1-CG 3.92Å; V514-E518 HydrophobicContact CG1-CG 4.38Å; V514-E518 WeakPolarHBondContact O-CG 3.41Å; V514-E518 PolarHBondContact O-N 3.38Å; E518-A521 PolarHBondContact O-N 3.04Å; E518-G522 PolarHBondContact O-N 3.24Å
519	C	98.5	Very high	97.2	Very high	15 Å²	15	35 Å²	35	10%	0.101	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-52.3	175.1	-178.2	0	0	0	0	110.8	I515 A516 A521 G522 Q523 I548 R551	I515-C519 VanDerWaalsContact O-CB 3.3Å; I515-C519 WeakPolarHBondContact O-CB 3.35Å; I515-C519 PolarHBondContact O-N 2.96Å; A516-C519 PolarHBondContact O-N 3.07Å; C519-A521 PolarHBondContact O-N 3.18Å; C519-G522 WeakPolarHBondContact O-CA 3.31Å; C519-G522 PolarHBondContact O-N 3.39Å; C519-Q523 WeakPolarHBondContact O-CG 3.23Å; C519-Q523 PolarHBondContact O-N 3.16Å; C519-I548 HydrophobicContact CB-CG1 4.13Å; C519-R551 HydrophobicContact CB-CB 4.26Å; C519-R551 HydrophobicContact CB-CG 4.03Å
520	L	98.7	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-45.8	179.1	177.5	58	0	0	0	112.4	V305 A308 Y491 I492 A516 A517 G522 Q523 F535 P536 V544 I548	V305-L520 HydrophobicContact CG2-CD2 4.29Å; A308-L520 HydrophobicContact CB-CB 3.88Å; A308-L520 HydrophobicContact CB-CD2 3.59Å; A308-L520 HydrophobicContact CB-CG 3.81Å; Y491-L520 HydrophobicContact CD1-CD1 3.77Å; Y491-L520 HydrophobicContact CG-CD1 4.11Å; Y491-L520 HydrophobicContact CG-CD2 4.19Å; I492-L520 HydrophobicContact CD1-CB 4.41Å; I492-L520 HydrophobicContact CD1-CD2 3.73Å; I492-L520 HydrophobicContact CG1-CD2 4.34Å; A516-L520 WeakPolarHBondContact O-CB 3.46Å; A516-L520 PolarHBondContact O-N 3.01Å; A517-L520 PolarHBondContact O-N 3.22Å; L520-G522 PolarHBondContact O-N 3.4Å; L520-Q523 PolarHBondContact O-N 3.41Å; L520-F535 HydrophobicContact CD2-CD1 4.15Å; L520-F535 HydrophobicContact CD2-CE1 4.31Å; L520-F535 HydrophobicContact CG-CD1 4.45Å; L520-P536 HydrophobicContact CD1-CG 4.12Å; L520-V544 HydrophobicContact CD1-CG1 3.58Å; L520-I548 HydrophobicContact CB-CD1 4.15Å
521	A	98	Very high	97.3	Very high	7 Å²	7	38.5 Å²	38.5	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-33.2	177.4	0	0	0	0	0	112.7	A308 L311 A312 R315 A517 E518 C519 Q523	A308-A521 WeakPolarHBondContact O-CB 3.28Å; L311-A521 HydrophobicContact CB-CB 3.52Å; L311-A521 HydrophobicContact CD1-CB 4.17Å; A312-A521 HydrophobicContact CB-CB 4.48Å; R315-A521 PolarHBondContact NH1-O 2.87Å; A517-A521 WeakPolarHBondContact O-CB 3.49Å; A517-A521 PolarHBondContact O-N 3.27Å; E518-A521 PolarHBondContact O-N 3.04Å; C519-A521 PolarHBondContact O-N 3.18Å; A521-Q523 VanDerWaalsContact C-N 3.3Å
522	G	97.8	Very high	97.3	Very high	54 Å²	54	35.7 Å²	35.7	56%	0.557	20%	0.196	S	C	*	.	H	α-helix	trans	-72.5	-17.3	174.7	0	0	0	0	0	114.5	E518 C519 L520 V524	E518-G522 PolarHBondContact O-N 3.24Å; C519-G522 WeakPolarHBondContact O-CA 3.31Å; C519-G522 PolarHBondContact O-N 3.39Å; L520-G522 PolarHBondContact O-N 3.4Å; G522-V524 VanDerWaalsContact C-N 3.35Å
523	Q	97.9	Very high	97.2	Very high	80 Å²	80	38.5 Å²	38.5	37%	0.374	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.9	178.2	-63.5	-62.8	-77.1	0	0	113.6	C519 L520 A521 D525 P536 V544	C519-Q523 WeakPolarHBondContact O-CG 3.23Å; C519-Q523 PolarHBondContact O-N 3.16Å; L520-Q523 PolarHBondContact O-N 3.41Å; A521-Q523 VanDerWaalsContact C-N 3.3Å; Q523-D525 PolarHBondContact O-N 3.41Å; Q523-P536 HydrophobicContact CB-CG 3.79Å; Q523-P536 WeakPolarHBondContact O-CG 3.47Å; Q523-V544 HydrophobicContact CB-CG2 4.27Å; Q523-V544 HydrophobicContact CG-CG2 4.48Å
524	V	97.8	Very high	97.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.207	C	C	.	.			trans	-84.1	115.2	179.3	-167.4	0	0	0	0	109.8	A312 R315 G522 D528 L529 P536	A312-V524 HydrophobicContact CB-CG2 4.04Å; R315-V524 VanDerWaalsContact CZ-O 3.26Å; R315-V524 PolarHBondContact NH1-O 3.4Å; R315-V524 PolarHBondContact NH2-O 2.89Å; G522-V524 VanDerWaalsContact C-N 3.35Å; V524-D528 HydrophobicContact CG1-CB 4.03Å; V524-L529 HydrophobicContact CB-CD2 4.24Å; V524-L529 HydrophobicContact CG1-CD2 3.47Å; V524-L529 VanDerWaalsContact CG1-CD2 3.47Å; V524-L529 HydrophobicContact CG1-CG 4.03Å; V524-P536 HydrophobicContact CG2-CG 4.22Å
525	D	97.2	Very high	97.2	Very high	80 Å²	80	38.6 Å²	38.6	43%	0.428	21%	0.207	S	C	.	.			trans	-70.9	154.5	177	-74.4	-18.5	0	0	0	111.6	Q523 K527 D528 L529	Q523-D525 PolarHBondContact O-N 3.41Å; D525-K527 HydrophobicContact CB-CD 4.32Å; D525-K527 HydrophobicContact CB-CG 3.95Å; D525-K527 PolarHBondContact O-N 3.17Å; D525-K527 WeakPolarHBondContact OD2-CE 3.49Å; D525-K527 IonicContact OD2-NZ 2.83Å; D525-K527 PolarHBondContact OD2-NZ 3.31Å; D525-D528 WeakPolarHBondContact O-CB 3.48Å; D525-D528 PolarHBondContact O-N 2.83Å; D525-L529 PolarHBondContact O-N 3.33Å; D525-L529 VanDerWaalsContact O-N 3.15Å
526	E	97.3	Very high	97.1	Very high	100 Å²	100	37.2 Å²	37.2	47%	0.467	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-36.7	175.4	-68.6	-62.5	131.3	0	0	112.3	R315 D528 L529 D530	R315-E526 IonicContact CZ-OE1 3.91Å; R315-E526 IonicContact NE-OE1 3.35Å; R315-E526 IonicContact NH2-OE1 2.72Å; R315-E526 PolarHBondContact NH2-OE1 2.72Å; E526-D528 PolarHBondContact O-N 3.49Å; E526-L529 WeakPolarHBondContact O-CB 2.9Å; E526-L529 PolarHBondContact O-N 3.1Å; E526-L529 VanDerWaalsContact O-N 3.13Å; E526-D530 VanDerWaalsContact O-CG 3.26Å; E526-D530 PolarHBondContact O-N 3.29Å
527	K	96.6	Very high	96.9	Very high	107 Å²	107	37.7 Å²	37.7	47%	0.465	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-29.9	176.7	75.8	-168.3	-178.1	-142	0	113.1	D525	D525-K527 HydrophobicContact CB-CD 4.32Å; D525-K527 HydrophobicContact CB-CG 3.95Å; D525-K527 PolarHBondContact O-N 3.17Å; D525-K527 WeakPolarHBondContact OD2-CE 3.49Å; D525-K527 IonicContact OD2-NZ 2.83Å; D525-K527 PolarHBondContact OD2-NZ 3.31Å
528	D	96.3	Very high	96.6	Very high	6 Å²	6	39 Å²	39	3%	0.032	21%	0.21	C	C	.	.	H	α-helix	trans	-81	-38.3	178.1	-69.5	-65.1	0	0	0	110	V524 D525 E526 D530 V531 G532 R533 P537	V524-D528 HydrophobicContact CG1-CB 4.03Å; D525-D528 WeakPolarHBondContact O-CB 3.48Å; D525-D528 PolarHBondContact O-N 2.83Å; E526-D528 PolarHBondContact O-N 3.49Å; D528-D530 VanDerWaalsContact C-N 3.31Å; D528-D530 PolarHBondContact O-N 2.91Å; D528-V531 WeakPolarHBondContact O-CG2 3.37Å; D528-V531 PolarHBondContact O-N 3.02Å; D528-G532 PolarHBondContact O-N 2.8Å; D528-R533 HydrophobicContact CB-CB 4.18Å; D528-R533 VanDerWaalsContact O-CB 3.29Å; D528-R533 WeakPolarHBondContact O-CB 3.34Å; D528-R533 PolarHBondContact O-N 3.22Å; D528-R533 IonicContact OD1-NH1 3.85Å; D528-R533 PolarHBondContact OD1-NH1 3.24Å; D528-P537 VanDerWaalsContact OD1-CG 3.31Å; D528-P537 WeakPolarHBondContact OD1-CG 3.39Å; D528-P537 WeakPolarHBondContact OD2-CD 3.17Å
529	L	96.6	Very high	96.4	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-38.5	171.4	-60.4	-173.6	0	0	0	112.4	R315 I316 V524 D525 E526 V531 G532 R533	R315-L529 HydrophobicContact CB-CD1 3.74Å; I316-L529 HydrophobicContact CD1-CB 4.26Å; I316-L529 HydrophobicContact CD1-CD2 3.9Å; I316-L529 HydrophobicContact CG1-CB 3.97Å; I316-L529 HydrophobicContact CG1-CD1 4.38Å; I316-L529 HydrophobicContact CG1-CD2 3.86Å; I316-L529 HydrophobicContact CG1-CG 4.29Å; V524-L529 HydrophobicContact CB-CD2 4.24Å; V524-L529 HydrophobicContact CG1-CD2 3.47Å; V524-L529 VanDerWaalsContact CG1-CD2 3.47Å; V524-L529 HydrophobicContact CG1-CG 4.03Å; D525-L529 PolarHBondContact O-N 3.33Å; D525-L529 VanDerWaalsContact O-N 3.15Å; E526-L529 WeakPolarHBondContact O-CB 2.9Å; E526-L529 PolarHBondContact O-N 3.1Å; E526-L529 VanDerWaalsContact O-N 3.13Å; L529-V531 PolarHBondContact O-N 3.37Å; L529-G532 WeakPolarHBondContact O-CA 3.49Å; L529-G532 PolarHBondContact O-N 3.07Å; L529-R533 WeakPolarHBondContact CD2-O 3.37Å
530	D	95.3	Very high	96.3	Very high	131 Å²	131	44.6 Å²	44.6	70%	0.701	23%	0.23	S	C	*	.	H	α-helix	trans	-61.9	-30.2	-179.3	-76.2	-22.5	0	0	0	113	E526 D528 G532	E526-D530 VanDerWaalsContact O-CG 3.26Å; E526-D530 PolarHBondContact O-N 3.29Å; D528-D530 VanDerWaalsContact C-N 3.31Å; D528-D530 PolarHBondContact O-N 2.91Å; D530-G532 VanDerWaalsContact C-N 3.33Å
531	V	95.2	Very high	96.2	Very high	35 Å²	35	44.7 Å²	44.7	21%	0.212	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	8.5	174.2	-61.3	0	0	0	0	112.8	F482 Q483 D528 L529 R533	F482-V531 WeakPolarHBondContact CA-O 3.46Å; Q483-V531 HydrophobicContact CB-CB 4.29Å; Q483-V531 HydrophobicContact CB-CG2 4.09Å; Q483-V531 HydrophobicContact CG-CB 4.13Å; Q483-V531 HydrophobicContact CG-CG2 4.28Å; Q483-V531 PolarHBondContact N-O 2.88Å; D528-V531 WeakPolarHBondContact O-CG2 3.37Å; D528-V531 PolarHBondContact O-N 3.02Å; L529-V531 PolarHBondContact O-N 3.37Å; V531-R533 HydrophobicContact CG2-CG 4.11Å
532	G	94.3	Very high	96.2	Very high	12 Å²	12	46.8 Å²	46.8	12%	0.124	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	11.4	176	0	0	0	0	0	115.3	D528 L529 D530	D528-G532 PolarHBondContact O-N 2.8Å; L529-G532 WeakPolarHBondContact O-CA 3.49Å; L529-G532 PolarHBondContact O-N 3.07Å; D530-G532 VanDerWaalsContact C-N 3.33Å
533	R	95.5	Very high	96.2	Very high	58 Å²	58	49.5 Å²	49.5	22%	0.219	24%	0.238	C	C	.	.			trans	-74.9	148.8	172.1	-67.3	173.6	178.4	158.4	-0.8	110.3	Q483 D528 L529 V531	Q483-R533 HydrophobicContact CB-CG 4.26Å; Q483-R533 VanDerWaalsContact CD-NH2 3.31Å; Q483-R533 WeakPolarHBondContact O-CG 3.05Å; D528-R533 HydrophobicContact CB-CB 4.18Å; D528-R533 VanDerWaalsContact O-CB 3.29Å; D528-R533 WeakPolarHBondContact O-CB 3.34Å; D528-R533 PolarHBondContact O-N 3.22Å; D528-R533 IonicContact OD1-NH1 3.85Å; D528-R533 PolarHBondContact OD1-NH1 3.24Å; L529-R533 WeakPolarHBondContact CD2-O 3.37Å; V531-R533 HydrophobicContact CG2-CG 4.11Å
534	V	97.3	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-119	10.2	171	-62.8	0	0	0	0	112.5	A312 A313 I316 F436 V461 A463	A312-V534 HydrophobicContact CB-CB 3.99Å; A312-V534 VanDerWaalsContact CB-O 3.29Å; A312-V534 WeakPolarHBondContact CB-O 3.29Å; A313-V534 HydrophobicContact CB-CG1 4.04Å; I316-V534 HydrophobicContact CD1-CG1 3.95Å; F436-V534 HydrophobicContact CZ-CG2 4.27Å; V461-V534 HydrophobicContact CG1-CG1 3.44Å; V461-V534 VanDerWaalsContact CG1-CG1 3.44Å; A463-V534 HydrophobicContact CB-CG2 3.83Å
535	F	97.6	Very high	96.3	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	22%	0.221	C	C	.	.	S	Bend	trans	-137.3	152.4	176.7	-57.5	-68.7	0	0	0	109.9	V305 A308 A463 Q486 C487 Y491 L520	V305-F535 HydrophobicContact CG2-CD1 4.34Å; V305-F535 HydrophobicContact CG2-CE1 3.61Å; V305-F535 HydrophobicContact CG2-CZ 3.87Å; V305-F535 VanDerWaalsContact O-CE1 3.28Å; V305-F535 WeakPolarHBondContact O-CE1 3.38Å; V305-F535 WeakPolarHBondContact O-CZ 3.41Å; A308-F535 HydrophobicContact CB-CE1 4.37Å; A463-F535 HydrophobicContact CB-CE2 4.16Å; Q486-F535 VanDerWaalsContact O-CD2 3.29Å; Q486-F535 WeakPolarHBondContact O-CD2 3.45Å; C487-F535 VanDerWaalsContact CA-CE2 3.41Å; C487-F535 HydrophobicContact CB-CE2 3.74Å; C487-F535 HydrophobicContact CB-CZ 3.87Å; Y491-F535 HydrophobicContact CE1-CB 4.45Å; Y491-F535 HydrophobicContact CE2-CB 4.03Å; Y491-F535 HydrophobicContact CE2-CG 4.3Å; L520-F535 HydrophobicContact CD2-CD1 4.15Å; L520-F535 HydrophobicContact CD2-CE1 4.31Å; L520-F535 HydrophobicContact CG-CD1 4.45Å
536	P	96.5	Very high	96.3	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.026	21%	0.205	C	C	.	.			trans	-66.3	155.2	175.9	-15.2	30.3	0	0	0	111	Y491 L520 Q523 V524 V544	Y491-P536 WeakPolarHBondContact CE1-O 3.46Å; Y491-P536 PolarHBondContact OH-O 3.1Å; L520-P536 HydrophobicContact CD1-CG 4.12Å; Q523-P536 HydrophobicContact CB-CG 3.79Å; Q523-P536 WeakPolarHBondContact O-CG 3.47Å; V524-P536 HydrophobicContact CG2-CG 4.22Å; P536-V544 HydrophobicContact CB-CG2 4.01Å; P536-V544 HydrophobicContact CG-CG2 3.94Å
537	P	94.1	Very high	96.4	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.058	19%	0.193	C	C	.	.			trans	-54.5	142.4	173.6	-26.1	35.8	0	0	0	112.6	D528 R539 D540	D528-P537 VanDerWaalsContact OD1-CG 3.31Å; D528-P537 WeakPolarHBondContact OD1-CG 3.39Å; D528-P537 WeakPolarHBondContact OD2-CD 3.17Å; P537-R539 HydrophobicContact CB-CG 3.95Å; P537-R539 PolarHBondContact O-N 3.04Å; P537-D540 PolarHBondContact O-N 3.09Å
538	L	92.9	Very high	96.5	Very high	29 Å²	29	34.1 Å²	34.1	15%	0.152	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63	-28	-177.9	-72.5	174.3	0	0	0	113.2	V123 E124 M127 Y491 D540 I541	V123-L538 WeakPolarHBondContact CG1-O 3.26Å; E124-L538 HydrophobicContact CG-CB 3.78Å; E124-L538 HydrophobicContact CG-CD1 4.49Å; M127-L538 HydrophobicContact CE-CD1 3.48Å; M127-L538 VanDerWaalsContact CE-CD1 3.48Å; M127-L538 HydrophobicContact CE-CD2 3.73Å; M127-L538 HydrophobicContact CE-CG 4.27Å; M127-L538 HydrophobicContact SD-CD2 4.22Å; Y491-L538 HydrophobicContact CE1-CD2 4.28Å; Y491-L538 HydrophobicContact CE2-CD2 4Å; Y491-L538 WeakPolarHBondContact OH-CD2 3.49Å; L538-D540 PolarHBondContact O-N 3.03Å; L538-D540 VanDerWaalsContact O-N 3.15Å; L538-I541 HydrophobicContact CD2-CD1 3.77Å; L538-I541 WeakPolarHBondContact O-CB 3.46Å; L538-I541 WeakPolarHBondContact O-CG2 3.47Å; L538-I541 PolarHBondContact O-N 3.27Å
539	R	93.8	Very high	96.6	Very high	155 Å²	155	33.9 Å²	33.9	59%	0.585	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-56.5	-26.6	173	68.4	-178.6	-177.5	-164.6	-5.3	113.6	P537	P537-R539 HydrophobicContact CB-CG 3.95Å; P537-R539 PolarHBondContact O-N 3.04Å
540	D	95.3	Very high	96.7	Very high	54 Å²	54	34 Å²	34	29%	0.289	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-95.4	-1.5	-177.4	-59.2	-49.5	0	0	0	111.8	P537 L538 R542 N543 V544	P537-D540 PolarHBondContact O-N 3.09Å; L538-D540 PolarHBondContact O-N 3.03Å; L538-D540 VanDerWaalsContact O-N 3.15Å; D540-R542 PolarHBondContact O-N 3.33Å; D540-N543 PolarHBondContact O-N 3.37Å; D540-V544 WeakPolarHBondContact O-CG2 3.23Å; D540-V544 PolarHBondContact O-N 3.13Å
541	I	96.7	Very high	96.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-26.5	-169.8	-163.3	160.9	0	0	0	114	V123 L209 Y491 L538 V544 S545	V123-I541 HydrophobicContact CG2-CG2 4.19Å; L209-I541 HydrophobicContact CB-CG2 4.46Å; L209-I541 HydrophobicContact CD1-CD1 3.84Å; L209-I541 HydrophobicContact CD1-CG1 4.45Å; L209-I541 HydrophobicContact CD2-CG2 3.66Å; L209-I541 HydrophobicContact CG-CG2 4.46Å; Y491-I541 HydrophobicContact CD1-CD1 3.87Å; Y491-I541 HydrophobicContact CD1-CG1 3.98Å; Y491-I541 HydrophobicContact CE1-CD1 3.99Å; Y491-I541 HydrophobicContact CE1-CG1 4.18Å; Y491-I541 HydrophobicContact CG-CD1 4.25Å; L538-I541 HydrophobicContact CD2-CD1 3.77Å; L538-I541 WeakPolarHBondContact O-CB 3.46Å; L538-I541 WeakPolarHBondContact O-CG2 3.47Å; L538-I541 PolarHBondContact O-N 3.27Å; I541-V544 PolarHBondContact O-N 3.33Å; I541-S545 WeakPolarHBondContact O-CB 3.41Å; I541-S545 PolarHBondContact O-N 3.07Å; I541-S545 PolarHBondContact O-OG 2.87Å
542	R	97.6	Very high	97.1	Very high	51 Å²	51	32.8 Å²	32.8	19%	0.192	15%	0.152	C	C	.	.	H	α-helix	trans	-72.1	-39.1	178.6	-172.2	171.3	179.1	102.9	-3.1	112.4	T207 A208 L209 D540 S545 L546 M579 Y580	T207-R542 PolarHBondContact O-NH1 3.07Å; A208-R542 PolarHBondContact O-NH1 3.13Å; L209-R542 VanDerWaalsContact O-CA 3.23Å; L209-R542 WeakPolarHBondContact O-CA 3.09Å; L209-R542 WeakPolarHBondContact O-CG 3.47Å; D540-R542 PolarHBondContact O-N 3.33Å; R542-S545 PolarHBondContact O-N 3.16Å; R542-L546 PolarHBondContact O-N 3.1Å; R542-L546 VanDerWaalsContact O-N 3.09Å; R542-M579 HydrophobicContact CG-CE 3.66Å; R542-Y580 PolarHBondContact NH2-O 3.33Å
543	N	98	Very high	97.3	Very high	110 Å²	110	32.2 Å²	32.2	59%	0.588	15%	0.146	S	C	*	.	H	α-helix	trans	-69.3	-39.6	172.2	-63.8	-24.8	0	0	0	110.4	D540 S545 L546 A547	D540-N543 PolarHBondContact O-N 3.37Å; N543-S545 PolarHBondContact O-N 2.88Å; N543-L546 PolarHBondContact O-N 2.77Å; N543-A547 WeakPolarHBondContact O-CB 3.47Å; N543-A547 PolarHBondContact O-N 3.5Å
544	V	98.4	Very high	97.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-45.4	174.2	175.1	0	0	0	0	111.2	Y491 L520 Q523 P536 D540 I541 L546 A547 I548	Y491-V544 HydrophobicContact CD1-CG1 4.39Å; L520-V544 HydrophobicContact CD1-CG1 3.58Å; Q523-V544 HydrophobicContact CB-CG2 4.27Å; Q523-V544 HydrophobicContact CG-CG2 4.48Å; P536-V544 HydrophobicContact CB-CG2 4.01Å; P536-V544 HydrophobicContact CG-CG2 3.94Å; D540-V544 WeakPolarHBondContact O-CG2 3.23Å; D540-V544 PolarHBondContact O-N 3.13Å; I541-V544 PolarHBondContact O-N 3.33Å; V544-L546 VanDerWaalsContact C-N 3.34Å; V544-L546 PolarHBondContact O-N 2.91Å; V544-A547 PolarHBondContact O-N 3.26Å; V544-I548 HydrophobicContact CG1-CD1 3.93Å; V544-I548 WeakPolarHBondContact O-CG1 3.3Å; V544-I548 PolarHBondContact O-N 3.44Å
545	S	98.7	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-40.1	178.6	-62.2	0	0	0	0	111.8	L209 G495 I541 R542 N543 A549	L209-S545 WeakPolarHBondContact O-CB 3.45Å; L209-S545 PolarHBondContact O-OG 2.97Å; G495-S545 VanDerWaalsContact CA-O 3.23Å; G495-S545 WeakPolarHBondContact CA-O 3.41Å; I541-S545 WeakPolarHBondContact O-CB 3.41Å; I541-S545 PolarHBondContact O-N 3.07Å; I541-S545 PolarHBondContact O-OG 2.87Å; R542-S545 PolarHBondContact O-N 3.16Å; N543-S545 PolarHBondContact O-N 2.88Å; S545-A549 WeakPolarHBondContact O-CB 3.28Å; S545-A549 PolarHBondContact O-N 3.32Å
546	L	98.7	Very high	97.5	Very high	19 Å²	19	35.5 Å²	35.5	10%	0.099	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-45.6	173.7	177	61	0	0	0	111.5	R542 N543 V544 I548 A549 V550 L575 M579	R542-L546 PolarHBondContact O-N 3.1Å; R542-L546 VanDerWaalsContact O-N 3.09Å; N543-L546 PolarHBondContact O-N 2.77Å; V544-L546 VanDerWaalsContact C-N 3.34Å; V544-L546 PolarHBondContact O-N 2.91Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 2.79Å; L546-A549 WeakPolarHBondContact O-CB 3.37Å; L546-A549 PolarHBondContact O-N 3.21Å; L546-A549 VanDerWaalsContact O-N 3.13Å; L546-V550 HydrophobicContact CD1-CG2 4.33Å; L546-V550 WeakPolarHBondContact O-CG2 3.48Å; L546-V550 PolarHBondContact O-N 2.97Å; L546-L575 HydrophobicContact CD1-CB 3.72Å; L546-M579 HydrophobicContact CB-CE 4.45Å; L546-M579 HydrophobicContact CB-SD 4.19Å; L546-M579 HydrophobicContact CD1-SD 3.98Å; L546-M579 HydrophobicContact CD2-SD 4.2Å; L546-M579 HydrophobicContact CG-SD 4.35Å
547	A	98.8	Very high	97.6	Very high	24 Å²	24	36.2 Å²	36.2	20%	0.198	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-43.9	178	0	0	0	0	0	111.9	N543 V544 A549 V550 R551	N543-A547 WeakPolarHBondContact O-CB 3.47Å; N543-A547 PolarHBondContact O-N 3.5Å; V544-A547 PolarHBondContact O-N 3.26Å; A547-A549 VanDerWaalsContact C-N 3.35Å; A547-V550 PolarHBondContact O-N 3.26Å; A547-R551 WeakPolarHBondContact O-CG 3.3Å; A547-R551 PolarHBondContact O-N 2.69Å
548	I	98.9	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-47	173.3	-71.2	167.7	0	0	0	110.1	Y491 I492 V496 A516 C519 L520 V544 L546 V550 R551 V552	Y491-I548 WeakPolarHBondContact O-CD1 3.21Å; I492-I548 HydrophobicContact CD1-CD1 4.47Å; V496-I548 HydrophobicContact CG2-CG2 4.18Å; A516-I548 HydrophobicContact CB-CG2 3.76Å; C519-I548 HydrophobicContact CB-CG1 4.13Å; L520-I548 HydrophobicContact CB-CD1 4.15Å; V544-I548 HydrophobicContact CG1-CD1 3.93Å; V544-I548 WeakPolarHBondContact O-CG1 3.3Å; V544-I548 PolarHBondContact O-N 3.44Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 2.79Å; I548-V550 VanDerWaalsContact C-N 3.29Å; I548-V550 PolarHBondContact O-N 3.24Å; I548-R551 PolarHBondContact O-N 3.38Å; I548-V552 HydrophobicContact CG2-CG2 4.06Å; I548-V552 WeakPolarHBondContact O-CB 3.36Å; I548-V552 VanDerWaalsContact O-CG2 3.25Å; I548-V552 WeakPolarHBondContact O-CG2 3.44Å; I548-V552 PolarHBondContact O-N 3.2Å
549	A	98.9	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-41	-179.7	0	0	0	0	0	112.1	G495 L498 A499 S545 L546 A547 A553 L575	G495-A549 WeakPolarHBondContact O-CA 3.39Å; G495-A549 VanDerWaalsContact O-CB 3.25Å; G495-A549 WeakPolarHBondContact O-CB 3.49Å; L498-A549 HydrophobicContact CB-CB 4.08Å; L498-A549 HydrophobicContact CD2-CB 3.78Å; L498-A549 HydrophobicContact CG-CB 4.17Å; A499-A549 HydrophobicContact CB-CB 4.16Å; A499-A549 WeakPolarHBondContact CB-O 3.42Å; S545-A549 WeakPolarHBondContact O-CB 3.28Å; S545-A549 PolarHBondContact O-N 3.32Å; L546-A549 WeakPolarHBondContact O-CB 3.37Å; L546-A549 PolarHBondContact O-N 3.21Å; L546-A549 VanDerWaalsContact O-N 3.13Å; A547-A549 VanDerWaalsContact C-N 3.35Å; A549-A553 WeakPolarHBondContact O-CB 3.29Å; A549-A553 PolarHBondContact O-N 2.82Å; A549-L575 HydrophobicContact CB-CD1 3.9Å
550	V	98.8	Very high	98.2	Very high	14 Å²	14	39.7 Å²	39.7	9%	0.085	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-52.7	174.8	171.8	0	0	0	0	110.6	L546 A547 I548 V552 A553 E554 I571 E572 L575	L546-V550 HydrophobicContact CD1-CG2 4.33Å; L546-V550 WeakPolarHBondContact O-CG2 3.48Å; L546-V550 PolarHBondContact O-N 2.97Å; A547-V550 PolarHBondContact O-N 3.26Å; I548-V550 VanDerWaalsContact C-N 3.29Å; I548-V550 PolarHBondContact O-N 3.24Å; V550-V552 PolarHBondContact O-N 3.49Å; V550-A553 PolarHBondContact O-N 3.31Å; V550-E554 HydrophobicContact CG1-CG 4.31Å; V550-E554 WeakPolarHBondContact O-CG 3.08Å; V550-E554 PolarHBondContact O-N 3Å; V550-I571 HydrophobicContact CG1-CG2 4.46Å; V550-E572 HydrophobicContact CG2-CB 3.74Å; V550-E572 HydrophobicContact CG2-CG 3.98Å; V550-L575 HydrophobicContact CB-CD1 4.49Å; V550-L575 HydrophobicContact CG2-CD1 3.85Å
551	R	98.7	Very high	98.2	Very high	140 Å²	140	38 Å²	38	53%	0.528	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-41.4	-178	-68.2	-52	-153.3	153.3	8.6	113.1	I515 C519 A547 I548 E554 Y555	I515-R551 HydrophobicContact CG2-CB 3.9Å; C519-R551 HydrophobicContact CB-CB 4.26Å; C519-R551 HydrophobicContact CB-CG 4.03Å; A547-R551 WeakPolarHBondContact O-CG 3.3Å; A547-R551 PolarHBondContact O-N 2.69Å; I548-R551 PolarHBondContact O-N 3.38Å; R551-E554 VanDerWaalsContact CD-OE2 3.24Å; R551-E554 WeakPolarHBondContact CD-OE2 3.28Å; R551-E554 IonicContact NH1-OE2 3.9Å; R551-E554 PolarHBondContact NH1-OE2 3.41Å; R551-Y555 WeakPolarHBondContact O-CB 3.13Å; R551-Y555 PolarHBondContact O-N 3.06Å
552	V	98.7	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-44.6	175.6	169	0	0	0	0	110.3	V496 A499 I505 L512 A516 I548 V550 Y555 A556	V496-V552 HydrophobicContact CG2-CG2 4.29Å; A499-V552 HydrophobicContact CB-CB 3.96Å; A499-V552 HydrophobicContact CB-CG1 3.64Å; I505-V552 HydrophobicContact CD1-CG1 3.93Å; L512-V552 HydrophobicContact CB-CG1 4.34Å; L512-V552 HydrophobicContact CD1-CG1 4.47Å; L512-V552 HydrophobicContact CD2-CG1 4.18Å; A516-V552 HydrophobicContact CB-CG2 4.17Å; I548-V552 HydrophobicContact CG2-CG2 4.06Å; I548-V552 WeakPolarHBondContact O-CB 3.36Å; I548-V552 VanDerWaalsContact O-CG2 3.25Å; I548-V552 WeakPolarHBondContact O-CG2 3.44Å; I548-V552 PolarHBondContact O-N 3.2Å; V550-V552 PolarHBondContact O-N 3.49Å; V552-Y555 PolarHBondContact O-N 3.27Å; V552-A556 WeakPolarHBondContact O-CB 3.24Å; V552-A556 PolarHBondContact O-N 3.36Å
553	A	98.7	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-45.6	177.1	0	0	0	0	0	112.3	A499 A549 V550 Y555 A556 Y557 I571 L575	A499-A553 HydrophobicContact CB-CB 4.44Å; A549-A553 WeakPolarHBondContact O-CB 3.29Å; A549-A553 PolarHBondContact O-N 2.82Å; V550-A553 PolarHBondContact O-N 3.31Å; A553-Y555 VanDerWaalsContact C-N 3.33Å; A553-Y555 PolarHBondContact O-N 3.46Å; A553-A556 PolarHBondContact O-N 2.65Å; A553-Y557 WeakPolarHBondContact O-CD2 3.32Å; A553-Y557 PolarHBondContact O-N 2.8Å; A553-I571 HydrophobicContact CB-CG2 3.81Å; A553-L575 HydrophobicContact CB-CD1 4.49Å
554	E	98.5	Very high	98.2	Very high	82 Å²	82	38.8 Å²	38.8	38%	0.383	20%	0.201	S	C	.	.	H	α-helix	trans	-54.4	-49.3	175.4	-75.6	176.7	160.6	0	0	111.4	V550 R551 S558 I571	V550-E554 HydrophobicContact CG1-CG 4.31Å; V550-E554 WeakPolarHBondContact O-CG 3.08Å; V550-E554 PolarHBondContact O-N 3Å; R551-E554 VanDerWaalsContact CD-OE2 3.24Å; R551-E554 WeakPolarHBondContact CD-OE2 3.28Å; R551-E554 IonicContact NH1-OE2 3.9Å; R551-E554 PolarHBondContact NH1-OE2 3.41Å; E554-S558 PolarHBondContact O-N 3.27Å; E554-I571 HydrophobicContact CG-CD1 4Å
555	Y	98.3	Very high	98	Very high	48 Å²	48	44.7 Å²	44.7	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-45.7	178.2	-174.7	-90.7	0	0	0	111.5	E511 L512 I515 R551 V552 A553 Y557 S558 K559	E511-Y555 HydrophobicContact CB-CE1 3.93Å; L512-Y555 HydrophobicContact CD2-CD1 3.65Å; L512-Y555 HydrophobicContact CD2-CE1 4.29Å; I515-Y555 HydrophobicContact CD1-CD2 3.86Å; I515-Y555 HydrophobicContact CD1-CE2 4.11Å; I515-Y555 HydrophobicContact CD1-CG 4.41Å; I515-Y555 HydrophobicContact CG1-CD1 4.31Å; I515-Y555 HydrophobicContact CG1-CD2 3.81Å; I515-Y555 HydrophobicContact CG1-CE2 4.18Å; I515-Y555 HydrophobicContact CG1-CG 3.85Å; R551-Y555 WeakPolarHBondContact O-CB 3.13Å; R551-Y555 PolarHBondContact O-N 3.06Å; V552-Y555 PolarHBondContact O-N 3.27Å; A553-Y555 VanDerWaalsContact C-N 3.33Å; A553-Y555 PolarHBondContact O-N 3.46Å; Y555-Y557 PolarHBondContact O-N 2.89Å; Y555-S558 WeakPolarHBondContact O-CB 3.35Å; Y555-S558 PolarHBondContact O-N 2.64Å; Y555-S558 VanDerWaalsContact O-N 3.09Å; Y555-S558 PolarHBondContact O-OG 3.08Å; Y555-K559 HydrophobicContact CD1-CG 3.99Å; Y555-K559 HydrophobicContact CE1-CD 4.39Å; Y555-K559 HydrophobicContact CE1-CG 3.62Å; Y555-K559 WeakPolarHBondContact O-CG 3.48Å; Y555-K559 PolarHBondContact O-N 2.59Å; Y555-K559 WeakPolarHBondContact OH-CE 3.3Å
556	A	98.4	Very high	97.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-40.7	179.5	0	0	0	0	0	112.8	I505 L512 V552 A553 K559 G560 I561 C562	I505-A556 HydrophobicContact CD1-CB 3.66Å; I505-A556 HydrophobicContact CG1-CB 3.9Å; I505-A556 HydrophobicContact CG2-CB 4.03Å; L512-A556 HydrophobicContact CD2-CB 4.25Å; V552-A556 WeakPolarHBondContact O-CB 3.24Å; V552-A556 PolarHBondContact O-N 3.36Å; A553-A556 PolarHBondContact O-N 2.65Å; A556-K559 PolarHBondContact O-N 3.32Å; A556-G560 PolarHBondContact O-N 3.46Å; A556-G560 VanDerWaalsContact O-N 3.14Å; A556-I561 HydrophobicContact CB-CD1 4.04Å; A556-I561 HydrophobicContact CB-CG1 3.8Å; A556-I561 VanDerWaalsContact O-CG1 3.26Å; A556-I561 WeakPolarHBondContact O-CG1 3.34Å; A556-I561 PolarHBondContact O-N 2.92Å; A556-C562 VanDerWaalsContact C-SG 3.58Å; A556-C562 WeakPolarHBondContact CB-SG 3.24Å
557	Y	98.5	Very high	97.8	Very high	19 Å²	19	53.5 Å²	53.5	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-42.5	171.8	-83.5	-67.3	0	0	0	111.3	C503 A553 Y555 K559 G560 C562 Y564 Q567 P568 I571	C503-Y557 HydrophobicContact CB-CE2 4.18Å; A553-Y557 WeakPolarHBondContact O-CD2 3.32Å; A553-Y557 PolarHBondContact O-N 2.8Å; Y555-Y557 PolarHBondContact O-N 2.89Å; Y557-K559 PolarHBondContact O-N 3.46Å; Y557-G560 PolarHBondContact O-N 3.26Å; Y557-C562 HydrophobicContact CD1-CB 3.43Å; Y557-C562 VanDerWaalsContact CD1-CB 3.43Å; Y557-C562 HydrophobicContact CD2-CB 4.29Å; Y557-C562 HydrophobicContact CE1-CB 3.27Å; Y557-C562 HydrophobicContact CE2-CB 4.17Å; Y557-C562 HydrophobicContact CG-CB 3.93Å; Y557-C562 PolarHBondContact N-SG 2.87Å; Y557-C562 VanDerWaalsContact N-SG 3.41Å; Y557-Y564 PolarHBondContact OH-O 3.35Å; Y557-Q567 HydrophobicContact CD1-CB 3.7Å; Y557-Q567 HydrophobicContact CD1-CG 3.66Å; Y557-Q567 HydrophobicContact CD2-CG 3.84Å; Y557-Q567 HydrophobicContact CE1-CB 3.56Å; Y557-Q567 HydrophobicContact CE1-CG 3.76Å; Y557-Q567 HydrophobicContact CE2-CG 3.94Å; Y557-Q567 HydrophobicContact CG-CB 4.3Å; Y557-Q567 HydrophobicContact CG-CG 3.73Å; Y557-P568 VanDerWaalsContact OH-CD 3.24Å; Y557-P568 WeakPolarHBondContact OH-CD 3.43Å; Y557-I571 HydrophobicContact CD2-CD1 3.79Å; Y557-I571 HydrophobicContact CE2-CD1 4.18Å
558	S	97.7	Very high	97.7	Very high	88 Å²	88	53.1 Å²	53.1	62%	0.615	27%	0.274	S	S	*	.	H	α-helix	trans	-62.7	-26.3	177.5	83	0	0	0	0	113.6	E554 Y555	E554-S558 PolarHBondContact O-N 3.27Å; Y555-S558 WeakPolarHBondContact O-CB 3.35Å; Y555-S558 PolarHBondContact O-N 2.64Å; Y555-S558 VanDerWaalsContact O-N 3.09Å; Y555-S558 PolarHBondContact O-OG 3.08Å
559	K	97.2	Very high	97.6	Very high	117 Å²	117	63.8 Å²	63.8	51%	0.509	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.7	175.8	-66	-59.4	-172.3	175.8	0	113.7	Y555 A556 Y557 I561	Y555-K559 HydrophobicContact CD1-CG 3.99Å; Y555-K559 HydrophobicContact CE1-CD 4.39Å; Y555-K559 HydrophobicContact CE1-CG 3.62Å; Y555-K559 WeakPolarHBondContact O-CG 3.48Å; Y555-K559 PolarHBondContact O-N 2.59Å; Y555-K559 WeakPolarHBondContact OH-CE 3.3Å; A556-K559 PolarHBondContact O-N 3.32Å; Y557-K559 PolarHBondContact O-N 3.46Å; K559-I561 VanDerWaalsContact C-N 3.33Å; K559-I561 HydrophobicContact CB-CD1 4.48Å; K559-I561 HydrophobicContact CB-CG1 4.16Å; K559-I561 HydrophobicContact CB-CG2 4.42Å
560	G	97.6	Very high	97.6	Very high	61 Å²	61	67.8 Å²	67.8	63%	0.629	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	29.7	-178.9	0	0	0	0	0	113.9	A556 Y557	A556-G560 PolarHBondContact O-N 3.46Å; A556-G560 VanDerWaalsContact O-N 3.14Å; Y557-G560 PolarHBondContact O-N 3.26Å
561	I	97.4	Very high	97.5	Very high	19 Å²	19	67.7 Å²	67.7	10%	0.097	34%	0.34	C	S	.	.			trans	-109.4	5	-179.1	61.2	168.5	0	0	0	113.4	I505 R506 L509 L512 A556 K559 H563	I505-I561 WeakPolarHBondContact CA-O 3.25Å; I505-I561 HydrophobicContact CG2-CD1 3.9Å; I505-I561 HydrophobicContact CG2-CG1 4.19Å; R506-I561 PolarHBondContact N-O 3.03Å; L509-I561 HydrophobicContact CD1-CD1 3.71Å; L509-I561 HydrophobicContact CG-CD1 3.9Å; L512-I561 HydrophobicContact CD1-CD1 4.44Å; L512-I561 HydrophobicContact CD2-CD1 4.46Å; A556-I561 HydrophobicContact CB-CD1 4.04Å; A556-I561 HydrophobicContact CB-CG1 3.8Å; A556-I561 VanDerWaalsContact O-CG1 3.26Å; A556-I561 WeakPolarHBondContact O-CG1 3.34Å; A556-I561 PolarHBondContact O-N 2.92Å; K559-I561 VanDerWaalsContact C-N 3.33Å; K559-I561 HydrophobicContact CB-CD1 4.48Å; K559-I561 HydrophobicContact CB-CG1 4.16Å; K559-I561 HydrophobicContact CB-CG2 4.42Å; I561-H563 PolarHBondContact O-CD2 3.35Å
562	C	98.1	Very high	97.5	Very high	7 Å²	7	66.6 Å²	66.6	5%	0.047	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-85.3	135	167.5	-69.2	0	0	0	0	109.7	A556 Y557	A556-C562 VanDerWaalsContact C-SG 3.58Å; A556-C562 WeakPolarHBondContact CB-SG 3.24Å; Y557-C562 HydrophobicContact CD1-CB 3.43Å; Y557-C562 VanDerWaalsContact CD1-CB 3.43Å; Y557-C562 HydrophobicContact CD2-CB 4.29Å; Y557-C562 HydrophobicContact CE1-CB 3.27Å; Y557-C562 HydrophobicContact CE2-CB 4.17Å; Y557-C562 HydrophobicContact CG-CB 3.93Å; Y557-C562 PolarHBondContact N-SG 2.87Å; Y557-C562 VanDerWaalsContact N-SG 3.41Å
563	H	96.9	Very high	97.5	Very high	89 Å²	89	70.6 Å²	70.6	41%	0.412	36%	0.362	S	S	.	.			trans	-109.2	-5.7	179.1	-62.5	-100.8	0	0	0	112.8	H268 C503 Q504 R506 I561 E565	H268-H563 WeakPolarHBondContact CE1-CB 3.27Å; H268-H563 AromaticContact CE1-CD2 3.71Å; H268-H563 AromaticContact CE1-CG 3.33Å; H268-H563 AromaticContact CE1-ND1 3.8Å; H268-H563 AromaticContact ND1-CD2 3.99Å; H268-H563 AromaticContact ND1-CG 3.96Å; C503-H563 PolarHBondContact O-N 2.94Å; Q504-H563 HydrophobicContact CB-CB 3.99Å; Q504-H563 PolarHBondContact O-CD2 3.4Å; Q504-H563 PolarHBondContact O-N 3.34Å; Q504-H563 PolarHBondContact OE1-O 3.27Å; R506-H563 PolarHBondContact O-NE2 3.36Å; I561-H563 PolarHBondContact O-CD2 3.35Å; H563-E565 PolarHBondContact O-N 3.44Å
564	Y	96.6	Very high	97.5	Very high	84 Å²	84	72 Å²	72	33%	0.329	37%	0.368	S	S	.	.	S	Bend	trans	-79	103.5	168.3	-174.7	-92.8	0	0	0	110.1	C503 Y557 P568 Y574	C503-Y564 WeakPolarHBondContact O-CB 3.44Å; C503-Y564 PolarHBondContact O-N 3.31Å; Y557-Y564 PolarHBondContact OH-O 3.35Å; Y564-P568 HydrophobicContact CD1-CG 4.36Å; Y564-P568 HydrophobicContact CE1-CG 4.17Å; Y564-Y574 HydrophobicContact CE1-CE1 4.49Å; Y564-Y574 AromaticContact CE1-CE2 3.81Å; Y564-Y574 HydrophobicContact CE1-CE2 3.81Å; Y564-Y574 AromaticContact CE1-CZ 3.73Å; Y564-Y574 AromaticContact CZ-CE2 3.82Å; Y564-Y574 AromaticContact CZ-CZ 3.87Å
565	E	94.7	Very high	97.5	Very high	128 Å²	128	68.1 Å²	68.1	60%	0.598	35%	0.35	S	S	*	.	S	Bend	trans	-119	146.6	-177.9	-69.9	-65.8	164.8	0	0	112.5	H563 Q567	H563-E565 PolarHBondContact O-N 3.44Å; E565-Q567 PolarHBondContact OE2-N 3.09Å; E565-Q567 VanDerWaalsContact OE2-N 3.14Å
566	P	95	Very high	97.4	Very high	106 Å²	106	68 Å²	68	69%	0.688	36%	0.356	S	S	*	.	S	Bend	cis	-70.5	153	-4.9	30.7	-35.3	0	0	0	112.2
567	Q	97.1	Very high	97.4	Very high	97 Å²	97	74.8 Å²	74.8	45%	0.453	39%	0.387	S	S	.	.			trans	-45.8	126.6	167.9	-179.9	177.5	-10.6	0	0	110.8	Y557 E565 K569 I571	Y557-Q567 HydrophobicContact CD1-CB 3.7Å; Y557-Q567 HydrophobicContact CD1-CG 3.66Å; Y557-Q567 HydrophobicContact CD2-CG 3.84Å; Y557-Q567 HydrophobicContact CE1-CB 3.56Å; Y557-Q567 HydrophobicContact CE1-CG 3.76Å; Y557-Q567 HydrophobicContact CE2-CG 3.94Å; Y557-Q567 HydrophobicContact CG-CB 4.3Å; Y557-Q567 HydrophobicContact CG-CG 3.73Å; E565-Q567 PolarHBondContact OE2-N 3.09Å; E565-Q567 VanDerWaalsContact OE2-N 3.14Å; Q567-K569 PolarHBondContact O-N 3.23Å; Q567-I571 HydrophobicContact CG-CD1 4.46Å
568	P	97.1	Very high	97.2	Very high	17 Å²	17	79.7 Å²	79.7	11%	0.11	41%	0.409	C	S	.	.			trans	-56	135.2	174.4	-24.8	33	0	0	0	111.4	Y557 Y564 D570 I571 Y574	Y557-P568 VanDerWaalsContact OH-CD 3.24Å; Y557-P568 WeakPolarHBondContact OH-CD 3.43Å; Y564-P568 HydrophobicContact CD1-CG 4.36Å; Y564-P568 HydrophobicContact CE1-CG 4.17Å; P568-D570 PolarHBondContact O-N 2.75Å; P568-I571 HydrophobicContact CB-CG1 4.48Å; P568-Y574 HydrophobicContact CB-CD1 4.36Å; P568-Y574 HydrophobicContact CB-CD2 4.42Å; P568-Y574 HydrophobicContact CB-CG 3.91Å; P568-Y574 HydrophobicContact CG-CD1 3.69Å; P568-Y574 HydrophobicContact CG-CD2 4.04Å; P568-Y574 HydrophobicContact CG-CE1 4.18Å; P568-Y574 HydrophobicContact CG-CE2 4.47Å; P568-Y574 HydrophobicContact CG-CG 3.62Å
569	K	96.7	Very high	97.2	Very high	224 Å²	224	76.7 Å²	76.7	97%	0.974	39%	0.386	S	S	*	.	S	Bend	trans	-60.2	-35.8	177.5	-67.7	-176.2	177.4	-178.5	0	112.6	Q567	Q567-K569 PolarHBondContact O-N 3.23Å
570	D	98	Very high	97.2	Very high	84 Å²	84	72.4 Å²	72.4	45%	0.449	37%	0.367	S	S	.	.	S	Bend	trans	-126.8	101.9	174.8	-175.7	-23.4	0	0	0	106.7	P568 E572 L573 Y574	P568-D570 PolarHBondContact O-N 2.75Å; D570-E572 PolarHBondContact OD1-N 3.4Å; D570-L573 HydrophobicContact CB-CB 3.9Å; D570-L573 WeakPolarHBondContact OD1-CB 3.48Å; D570-L573 PolarHBondContact OD1-N 3.27Å; D570-L573 WeakPolarHBondContact OD2-CB 3.39Å; D570-Y574 VanDerWaalsContact O-CB 3.32Å; D570-Y574 WeakPolarHBondContact O-CB 3.49Å; D570-Y574 PolarHBondContact O-N 2.92Å
571	I	98.2	Very high	97.1	Very high	12 Å²	12	73.9 Å²	73.9	6%	0.062	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-41.6	-177.7	-69.1	175.2	0	0	0	109.9	V550 A553 E554 Y557 Q567 P568 Y574 L575	V550-I571 HydrophobicContact CG1-CG2 4.46Å; A553-I571 HydrophobicContact CB-CG2 3.81Å; E554-I571 HydrophobicContact CG-CD1 4Å; Y557-I571 HydrophobicContact CD2-CD1 3.79Å; Y557-I571 HydrophobicContact CE2-CD1 4.18Å; Q567-I571 HydrophobicContact CG-CD1 4.46Å; P568-I571 HydrophobicContact CB-CG1 4.48Å; I571-Y574 PolarHBondContact O-N 3.14Å; I571-L575 HydrophobicContact CG2-CD1 3.74Å; I571-L575 HydrophobicContact CG2-CG 4.16Å; I571-L575 WeakPolarHBondContact O-CB 3.17Å; I571-L575 VanDerWaalsContact O-CG 3.26Å; I571-L575 WeakPolarHBondContact O-CG 3.24Å; I571-L575 PolarHBondContact O-N 3.1Å
572	E	98.4	Very high	97	Very high	116 Å²	116	73.4 Å²	73.4	54%	0.542	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-46.2	-178.8	-176.6	176	179.7	0	0	111.6	V550 D570 Y574 L575 S576	V550-E572 HydrophobicContact CG2-CB 3.74Å; V550-E572 HydrophobicContact CG2-CG 3.98Å; D570-E572 PolarHBondContact OD1-N 3.4Å; E572-Y574 VanDerWaalsContact C-N 3.33Å; E572-Y574 PolarHBondContact O-N 2.95Å; E572-L575 PolarHBondContact O-N 3.43Å; E572-S576 VanDerWaalsContact O-CB 3.28Å; E572-S576 WeakPolarHBondContact O-CB 3.28Å; E572-S576 PolarHBondContact O-N 2.87Å; E572-S576 PolarHBondContact O-OG 3.05Å
573	L	98.2	Very high	96.8	Very high	84 Å²	84	76.4 Å²	76.4	44%	0.44	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-42.1	175.3	-176.3	62.5	0	0	0	111.6	D570 S576 Q577	D570-L573 HydrophobicContact CB-CB 3.9Å; D570-L573 WeakPolarHBondContact OD1-CB 3.48Å; D570-L573 PolarHBondContact OD1-N 3.27Å; D570-L573 WeakPolarHBondContact OD2-CB 3.39Å; L573-S576 WeakPolarHBondContact CA-OG 3.18Å; L573-S576 PolarHBondContact O-OG 3.19Å; L573-S576 VanDerWaalsContact O-OG 3.07Å; L573-Q577 HydrophobicContact CD1-CG 4.09Å; L573-Q577 HydrophobicContact CG-CG 4.47Å; L573-Q577 WeakPolarHBondContact O-CB 3.23Å; L573-Q577 VanDerWaalsContact O-CG 3.25Å; L573-Q577 WeakPolarHBondContact O-CG 3.46Å; L573-Q577 PolarHBondContact O-N 3.07Å; L573-Q577 VanDerWaalsContact O-N 3.08Å
574	Y	98.3	Very high	96.6	Very high	31 Å²	31	74.4 Å²	74.4	12%	0.122	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-49.2	177	168.6	-99.4	0	0	0	112	L502 Y564 P568 D570 I571 E572 K578	L502-Y574 HydrophobicContact CB-CE1 4Å; L502-Y574 PolarHBondContact O-OH 3.23Å; Y564-Y574 HydrophobicContact CE1-CE1 4.49Å; Y564-Y574 AromaticContact CE1-CE2 3.81Å; Y564-Y574 HydrophobicContact CE1-CE2 3.81Å; Y564-Y574 AromaticContact CE1-CZ 3.73Å; Y564-Y574 AromaticContact CZ-CE2 3.82Å; Y564-Y574 AromaticContact CZ-CZ 3.87Å; P568-Y574 HydrophobicContact CB-CD1 4.36Å; P568-Y574 HydrophobicContact CB-CD2 4.42Å; P568-Y574 HydrophobicContact CB-CG 3.91Å; P568-Y574 HydrophobicContact CG-CD1 3.69Å; P568-Y574 HydrophobicContact CG-CD2 4.04Å; P568-Y574 HydrophobicContact CG-CE1 4.18Å; P568-Y574 HydrophobicContact CG-CE2 4.47Å; P568-Y574 HydrophobicContact CG-CG 3.62Å; D570-Y574 VanDerWaalsContact O-CB 3.32Å; D570-Y574 WeakPolarHBondContact O-CB 3.49Å; D570-Y574 PolarHBondContact O-N 2.92Å; I571-Y574 PolarHBondContact O-N 3.14Å; E572-Y574 VanDerWaalsContact C-N 3.33Å; E572-Y574 PolarHBondContact O-N 2.95Å; Y574-K578 HydrophobicContact CE2-CG 4.32Å; Y574-K578 VanDerWaalsContact O-CG 3.24Å; Y574-K578 WeakPolarHBondContact O-CG 3.37Å; Y574-K578 PolarHBondContact O-N 2.96Å
575	L	98.3	Very high	95.9	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.1	-49.2	-179	-67.9	175.8	0	0	0	110.8	L502 L546 A549 V550 A553 I571 E572 Q577 K578 M579	L502-L575 HydrophobicContact CB-CD2 3.75Å; L502-L575 HydrophobicContact CD1-CD2 3.57Å; L502-L575 HydrophobicContact CG-CD2 4.28Å; L546-L575 HydrophobicContact CD1-CB 3.72Å; A549-L575 HydrophobicContact CB-CD1 3.9Å; V550-L575 HydrophobicContact CB-CD1 4.49Å; V550-L575 HydrophobicContact CG2-CD1 3.85Å; A553-L575 HydrophobicContact CB-CD1 4.49Å; I571-L575 HydrophobicContact CG2-CD1 3.74Å; I571-L575 HydrophobicContact CG2-CG 4.16Å; I571-L575 WeakPolarHBondContact O-CB 3.17Å; I571-L575 VanDerWaalsContact O-CG 3.26Å; I571-L575 WeakPolarHBondContact O-CG 3.24Å; I571-L575 PolarHBondContact O-N 3.1Å; E572-L575 PolarHBondContact O-N 3.43Å; L575-Q577 PolarHBondContact O-N 3.01Å; L575-K578 PolarHBondContact O-N 2.93Å; L575-M579 WeakPolarHBondContact O-CG 3.43Å; L575-M579 PolarHBondContact O-N 3.3Å; L575-M579 VanDerWaalsContact O-N 3.1Å
576	S	97.7	Very high	95.2	Very high	46 Å²	46	73 Å²	73	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-40.1	-178.5	58.8	0	0	0	0	113.2	E572 L573 K578 M579	E572-S576 VanDerWaalsContact O-CB 3.28Å; E572-S576 WeakPolarHBondContact O-CB 3.28Å; E572-S576 PolarHBondContact O-N 2.87Å; E572-S576 PolarHBondContact O-OG 3.05Å; L573-S576 WeakPolarHBondContact CA-OG 3.18Å; L573-S576 PolarHBondContact O-OG 3.19Å; L573-S576 VanDerWaalsContact O-OG 3.07Å; S576-K578 PolarHBondContact O-N 2.94Å; S576-M579 PolarHBondContact O-N 3.07Å
577	Q	96.8	Very high	94.7	Very high	142 Å²	142	68 Å²	68	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-68	-18.9	175.8	-74.9	-178.9	-9.9	0	0	114	L573 L575	L573-Q577 HydrophobicContact CD1-CG 4.09Å; L573-Q577 HydrophobicContact CG-CG 4.47Å; L573-Q577 WeakPolarHBondContact O-CB 3.23Å; L573-Q577 VanDerWaalsContact O-CG 3.25Å; L573-Q577 WeakPolarHBondContact O-CG 3.46Å; L573-Q577 PolarHBondContact O-N 3.07Å; L573-Q577 VanDerWaalsContact O-N 3.08Å; L575-Q577 PolarHBondContact O-N 3.01Å
578	K	96.1	Very high	94.1	Very high	121 Å²	121	65.8 Å²	65.8	53%	0.526	33%	0.328	S	S	.	.	H	α-helix	trans	-98.2	-10.9	179.4	-66.5	-64.8	-177.7	-172.7	0	113.1	L502 Y574 L575 S576 Y580	L502-K578 HydrophobicContact CD1-CB 3.61Å; L502-K578 HydrophobicContact CD1-CG 4.44Å; L502-K578 HydrophobicContact CD2-CB 4Å; L502-K578 HydrophobicContact CD2-CG 4.48Å; L502-K578 HydrophobicContact CG-CB 4.5Å; Y574-K578 HydrophobicContact CE2-CG 4.32Å; Y574-K578 VanDerWaalsContact O-CG 3.24Å; Y574-K578 WeakPolarHBondContact O-CG 3.37Å; Y574-K578 PolarHBondContact O-N 2.96Å; L575-K578 PolarHBondContact O-N 2.93Å; S576-K578 PolarHBondContact O-N 2.94Å; K578-Y580 PolarHBondContact O-N 3.35Å
579	M	97.5	Very high	93.4	Very high	25 Å²	25	67.9 Å²	67.9	12%	0.123	34%	0.341	C	S	.	.	S	Bend	trans	-62.4	134.7	172.3	-67.3	176.8	83.8	0	0	109.9	A210 G211 L498 R542 L546 L575 S576 D581	A210-M579 VanDerWaalsContact O-CE 3.25Å; A210-M579 WeakPolarHBondContact O-CE 3.23Å; G211-M579 CarbonylContact O-C 3.45Å; G211-M579 WeakPolarHBondContact O-CA 3.2Å; L498-M579 HydrophobicContact CD2-CG 4.03Å; L498-M579 HydrophobicContact CD2-SD 4.47Å; R542-M579 HydrophobicContact CG-CE 3.66Å; L546-M579 HydrophobicContact CB-CE 4.45Å; L546-M579 HydrophobicContact CB-SD 4.19Å; L546-M579 HydrophobicContact CD1-SD 3.98Å; L546-M579 HydrophobicContact CD2-SD 4.2Å; L546-M579 HydrophobicContact CG-SD 4.35Å; L575-M579 WeakPolarHBondContact O-CG 3.43Å; L575-M579 PolarHBondContact O-N 3.3Å; L575-M579 VanDerWaalsContact O-N 3.1Å; S576-M579 PolarHBondContact O-N 3.07Å; M579-D581 PolarHBondContact O-N 2.99Å
580	Y	96.5	Very high	92.7	Very high	28 Å²	28	66 Å²	66	11%	0.11	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-59.6	119.5	176.8	175	-107.5	0	0	0	111.2	Y116 T207 G211 H213 P214 R542 K578 P582	Y116-Y580 AromaticContact CD2-CE1 3.75Å; Y116-Y580 HydrophobicContact CD2-CE1 3.75Å; Y116-Y580 AromaticContact CG-CE1 3.96Å; Y116-Y580 HydrophobicContact CG-CE1 3.96Å; T207-Y580 HydrophobicContact CG2-CD1 3.48Å; T207-Y580 VanDerWaalsContact CG2-CD1 3.48Å; T207-Y580 HydrophobicContact CG2-CE1 3.99Å; T207-Y580 HydrophobicContact CG2-CG 4.16Å; G211-Y580 WeakPolarHBondContact O-CB 3.36Å; G211-Y580 PolarHBondContact O-N 3.33Å; H213-Y580 AromaticContact CD2-CD2 3.61Å; H213-Y580 AromaticContact NE2-CD2 3.86Å; H213-Y580 AromaticContact NE2-CE2 3.99Å; P214-Y580 HydrophobicContact CG-CD2 4.49Å; P214-Y580 HydrophobicContact CG-CE1 4.48Å; P214-Y580 HydrophobicContact CG-CE2 4.18Å; R542-Y580 PolarHBondContact NH2-O 3.33Å; K578-Y580 PolarHBondContact O-N 3.35Å; Y580-P582 HydrophobicContact CE1-CB 3.96Å
581	D	95.2	Very high	92.1	Very high	91 Å²	91	68.2 Å²	68.2	49%	0.487	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-92.9	118.5	169.6	-176	-3.6	0	0	0	109.2	M579 N583	M579-D581 PolarHBondContact O-N 2.99Å; D581-N583 VanDerWaalsContact CG-ND2 3.32Å; D581-N583 PolarHBondContact O-N 3.32Å; D581-N583 VanDerWaalsContact OD1-CB 3.29Å; D581-N583 WeakPolarHBondContact OD1-CB 3.37Å; D581-N583 PolarHBondContact OD1-N 3.38Å; D581-N583 PolarHBondContact OD1-ND2 3.45Å; D581-N583 PolarHBondContact OD2-ND2 3.41Å
582	P	95.2	Very high	91.5	Very high	9 Å²	9	75.7 Å²	75.7	6%	0.058	38%	0.381	C	S	.	.			trans	-74.9	0.2	177.6	36.4	-42.1	0	0	0	113.7	K117 I120 Y580	K117-P582 HydrophobicContact CB-CB 3.99Å; K117-P582 HydrophobicContact CB-CG 4.16Å; K117-P582 HydrophobicContact CD-CG 4Å; I120-P582 HydrophobicContact CD1-CB 4.36Å; I120-P582 HydrophobicContact CD1-CG 3.73Å; Y580-P582 HydrophobicContact CE1-CB 3.96Å
583	N	94.7	Very high	90.8	Very high	70 Å²	70	78 Å²	78	37%	0.374	40%	0.397	S	S	.	.	S	Bend	trans	-63	145.6	173.5	-69.5	-42.8	0	0	0	111.2	K117 D581 I585	K117-N583 PolarHBondContact NZ-OD1 3.24Å; D581-N583 VanDerWaalsContact CG-ND2 3.32Å; D581-N583 PolarHBondContact O-N 3.32Å; D581-N583 VanDerWaalsContact OD1-CB 3.29Å; D581-N583 WeakPolarHBondContact OD1-CB 3.37Å; D581-N583 PolarHBondContact OD1-N 3.38Å; D581-N583 PolarHBondContact OD1-ND2 3.45Å; D581-N583 PolarHBondContact OD2-ND2 3.41Å; N583-I585 PolarHBondContact O-N 3.39Å; N583-I585 VanDerWaalsContact O-N 3.16Å
584	Y	91.7	Very high	90	Very high	48 Å²	48	81.5 Å²	81.5	19%	0.188	40%	0.404	C	S	.	.			trans	-67.9	113.1	176.2	-67	-42.4	0	0	0	110.9	R55 A58 L80 N111 A113	R55-Y584 HydrophobicContact CB-CD1 4.27Å; R55-Y584 HydrophobicContact CB-CD2 4.43Å; R55-Y584 HydrophobicContact CB-CE1 3.89Å; R55-Y584 HydrophobicContact CB-CE2 4.1Å; R55-Y584 HydrophobicContact CG-CD1 3.76Å; R55-Y584 HydrophobicContact CG-CE1 3.77Å; R55-Y584 HydrophobicContact CG-CG 4.17Å; R55-Y584 PolarHBondContact O-OH 3.32Å; A58-Y584 HydrophobicContact CB-CD2 3.84Å; A58-Y584 HydrophobicContact CB-CE2 3.4Å; A58-Y584 VanDerWaalsContact CB-CE2 3.4Å; L80-Y584 HydrophobicContact CB-CD2 3.97Å; L80-Y584 HydrophobicContact CB-CE2 3.8Å; L80-Y584 HydrophobicContact CD1-CD2 4.35Å; L80-Y584 HydrophobicContact CD1-CE1 4.47Å; L80-Y584 HydrophobicContact CD1-CE2 3.66Å; L80-Y584 HydrophobicContact CD2-CD2 4.24Å; L80-Y584 HydrophobicContact CD2-CE2 4.36Å; L80-Y584 HydrophobicContact CG-CD2 4.41Å; L80-Y584 HydrophobicContact CG-CE2 4.13Å; N111-Y584 PolarHBondContact ND2-OH 3.32Å; A113-Y584 HydrophobicContact CB-CD1 3.93Å; A113-Y584 HydrophobicContact CB-CE1 3.75Å
585	I	81.5	Confident	89.3	Confident	80 Å²	80	84.4 Å²	84.4	41%	0.41	43%	0.427	S	S	.	.			trans	-68.8	165.9	174.8	62.8	-169.3	0	0	0	112.3	D38 R55 N583 V587	D38-I585 HydrophobicContact CB-CD1 3.76Å; D38-I585 HydrophobicContact CB-CG1 4.37Å; R55-I585 PolarHBondContact NH1-O 3.43Å; R55-I585 PolarHBondContact NH2-O 3.38Å; N583-I585 PolarHBondContact O-N 3.39Å; N583-I585 VanDerWaalsContact O-N 3.16Å; I585-V587 PolarHBondContact O-N 3.31Å
586	P	81.5	Confident	88.6	Confident	103 Å²	103	93.1 Å²	93.1	67%	0.669	47%	0.473	S	S	*	.			trans	-61.9	129.6	173.6	-25.7	36.4	0	0	0	112.8
587	V	83.5	Confident	87.8	Confident	1 Å²	1	94.6 Å²	94.6	1%	0.006	50%	0.495	C	S	.	.			trans	-92.1	-21.2	179.7	-60.7	0	0	0	0	114.6	F39 I40 R55 F59 E63 L67 I585	F39-V587 WeakPolarHBondContact CA-O 3.34Å; F39-V587 VanDerWaalsContact CB-O 3.23Å; F39-V587 WeakPolarHBondContact CB-O 3.42Å; I40-V587 HydrophobicContact CB-CB 4.31Å; I40-V587 HydrophobicContact CD1-CB 3.61Å; I40-V587 HydrophobicContact CD1-CG1 3.25Å; I40-V587 HydrophobicContact CG1-CB 3.79Å; I40-V587 HydrophobicContact CG1-CG1 3.74Å; I40-V587 PolarHBondContact N-O 2.76Å; R55-V587 VanDerWaalsContact NH1-CG1 3.28Å; F59-V587 HydrophobicContact CE1-CG1 4.49Å; E63-V587 HydrophobicContact CB-CG2 4.21Å; E63-V587 HydrophobicContact CG-CG2 3.55Å; E63-V587 VanDerWaalsContact OE1-CG2 3.28Å; E63-V587 WeakPolarHBondContact OE1-CG2 3.41Å; L67-V587 HydrophobicContact CD1-CG2 4Å; I585-V587 PolarHBondContact O-N 3.31Å
588	M	84.7	Confident	86.9	Confident	50 Å²	50	91.9 Å²	91.9	25%	0.246	49%	0.488	C	S	.	.	S	Bend	trans	-91.4	147.9	-178.6	-59.3	-51.3	-58.5	0	0	108.5	E63 L66 L67	E63-M588 HydrophobicContact CG-CG 3.99Å; E63-M588 HydrophobicContact CG-SD 4.28Å; L66-M588 HydrophobicContact CB-CE 3.45Å; L66-M588 VanDerWaalsContact CB-CE 3.45Å; L66-M588 HydrophobicContact CB-SD 4.26Å; L66-M588 HydrophobicContact CD1-CE 3.61Å; L66-M588 HydrophobicContact CG-CE 4.15Å; L67-M588 HydrophobicContact CD1-SD 4.4Å; L67-M588 HydrophobicContact CD2-SD 4.09Å; L67-M588 HydrophobicContact CG-SD 4Å
589	P	83	Confident	85.7	Confident	61 Å²	61	90.7 Å²	90.7	40%	0.396	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-59.3	147.5	170	27.7	-33.7	0	0	0	109.7	F39 V591	F39-P589 HydrophobicContact CD1-CB 4.35Å; F39-P589 HydrophobicContact CG-CB 4.44Å; P589-V591 PolarHBondContact O-N 2.83Å
590	E	82.8	Confident	84.5	Confident	185 Å²	185	97 Å²	97	86%	0.864	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-62.5	125.2	170.1	-170.2	175.9	-173.7	0	0	108.8
591	V	83.5	Confident	82.7	Confident	130 Å²	130	100.5 Å²	100.5	79%	0.788	56%	0.56	S	S	*	*			trans	-110.1	143.4	175.1	-63.9	0	0	0	0	108.5	P589	P589-V591 PolarHBondContact O-N 2.83Å
592	Y	86	Confident	80.7	Confident	168 Å²	168	102.8 Å²	102.8	66%	0.659	58%	0.577	S	S	*	*			trans	-135.6	140.5	179.4	55.5	-88.2	0	0	0	109.9	W594	Y592-W594 AromaticContact CD2-CD1 3.99Å; Y592-W594 AromaticContact CD2-NE1 3.98Å; Y592-W594 AromaticContact CE2-CD1 3.78Å; Y592-W594 AromaticContact CE2-NE1 3.3Å; Y592-W594 VanDerWaalsContact CE2-NE1 3.3Å
593	D	85	Confident	78.3	Confident	165 Å²	165	110.9 Å²	110.9	88%	0.882	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-71.2	141	176.6	-65.8	-38.2	0	0	0	110.3
594	W	81.5	Confident	77.4	Confident	158 Å²	158	113 Å²	113	60%	0.598	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-89	149.4	168.1	-80	51.4	0	0	0	109.8	Y592 L596 V598	Y592-W594 AromaticContact CD2-CD1 3.99Å; Y592-W594 AromaticContact CD2-NE1 3.98Å; Y592-W594 AromaticContact CE2-CD1 3.78Å; Y592-W594 AromaticContact CE2-NE1 3.3Å; Y592-W594 VanDerWaalsContact CE2-NE1 3.3Å; W594-L596 PolarHBondContact O-N 3.44Å; W594-V598 HydrophobicContact CE3-CB 4.48Å; W594-V598 HydrophobicContact CE3-CG1 3.86Å; W594-V598 HydrophobicContact CZ3-CG1 4.02Å
595	P	83.9	Confident	76.7	Confident	92 Å²	92	116.4 Å²	116.4	60%	0.597	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.4	138.6	177.6	-16.8	27	0	0	0	111.1	G597 V598	P595-G597 PolarHBondContact O-N 3.24Å; P595-V598 HydrophobicContact CB-CG2 3.72Å; P595-V598 HydrophobicContact CG-CG2 3.97Å; P595-V598 WeakPolarHBondContact O-CG2 3.27Å; P595-V598 PolarHBondContact O-N 2.83Å
596	L	82	Confident	76.4	Confident	183 Å²	183	118.4 Å²	118.4	96%	0.958	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	128.4	176.3	-67.9	167.8	0	0	0	110	W594	W594-L596 PolarHBondContact O-N 3.44Å
597	G	81.3	Confident	76.1	Confident	77 Å²	77	119.3 Å²	119.3	79%	0.794	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.2	2.5	177.5	0	0	0	0	0	116.5	P595	P595-G597 PolarHBondContact O-N 3.24Å
598	V	78.4	Confident	75.7	Confident	84 Å²	84	126.7 Å²	126.7	51%	0.509	73%	0.729	S	S	.	*	S	Bend	trans	-75.8	-25.6	176.7	176.2	0	0	0	0	112.5	W594 P595	W594-V598 HydrophobicContact CE3-CB 4.48Å; W594-V598 HydrophobicContact CE3-CG1 3.86Å; W594-V598 HydrophobicContact CZ3-CG1 4.02Å; P595-V598 HydrophobicContact CB-CG2 3.72Å; P595-V598 HydrophobicContact CG-CG2 3.97Å; P595-V598 WeakPolarHBondContact O-CG2 3.27Å; P595-V598 PolarHBondContact O-N 2.83Å
599	T	71	Confident	75.1	Confident	97 Å²	97	131.8 Å²	131.8	60%	0.595	76%	0.761	S	S	*	*	S	Bend	trans	-128.4	133.2	173.4	56.7	0	0	0	0	108.9	A601	T599-A601 PolarHBondContact O-N 3.41Å; T599-A601 VanDerWaalsContact O-N 3.09Å
600	D	71.5	Confident	74.5	Confident	158 Å²	158	136.9 Å²	136.9	85%	0.845	79%	0.787	S	S	*	*			trans	-53.2	119.6	166.3	-69.2	-34.3	0	0	0	107.4	V602	D600-V602 VanDerWaalsContact C-N 3.32Å; D600-V602 PolarHBondContact O-N 2.78Å
601	A	58	Low	73.9	Confident	101 Å²	101	133.2 Å²	133.2	84%	0.835	78%	0.781	S	S	*	*			trans	-62.4	94.4	-176.7	0	0	0	0	0	109.3	T599 S603	T599-A601 PolarHBondContact O-N 3.41Å; T599-A601 VanDerWaalsContact O-N 3.09Å; A601-S603 PolarHBondContact O-N 3.09Å
602	V	54.6	Low	73.1	Confident	138 Å²	138	133.4 Å²	133.4	84%	0.836	78%	0.781	S	S	*	*			trans	-83.8	101.6	158.7	-170.8	0	0	0	0	104.8	D600	D600-V602 VanDerWaalsContact C-N 3.32Å; D600-V602 PolarHBondContact O-N 2.78Å
603	S	43.7	Very low	71.9	Confident	180 Å²	180	130.3 Å²	130.3	100%	1.259	79%	0.792	S	S	*	*			trans	-52	0	178.3	60.7	0	0	0	0	113.2	A601	A601-S603 PolarHBondContact O-N 3.09Å

Retrieved 603 of 603 residues in 249.5 ms (Link to these results)

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