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RING-type E3 ubiquitin-protein ligase PPIL2

Has a ubiquitin-protein ligase activity acting as an E3 ubiquitin protein ligase or as an ubiquitin-ubiquitin ligase promoting elongation of ubiquitin chains on substrates. By mediating 'Lys-48'-linked polyubiquitination of proteins could target them for proteasomal degradation. May also function as a chaperone, playing a role in transport to the cell membrane of BSG/Basigin for instance. Probable inactive PPIase with no peptidyl-prolyl cis-trans isomerase activity. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession G4VDK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 547 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	60.2	Low	253 Å²	253	163.7 Å²	163.7	100%	1.246	80%	0.798	S	S	*	*				0	102.5	0	-75.1	-160.5	-168.9	0	0	109.2
2	G	46.9	Very low	61.8	Low	59 Å²	59	162.8 Å²	162.8	61%	0.608	78%	0.782	S	S	*	*			trans	-148	83.5	175.4	0	0	0	0	0	109	K4	G2-K4 PolarHBondContact O-N 3.48Å
3	K	56.5	Low	62.9	Low	218 Å²	218	156.4 Å²	156.4	95%	0.948	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	28	-173.3	-71.7	-173	174.5	-178.8	0	114.9
4	K	55.4	Low	64.1	Low	184 Å²	184	147.8 Å²	147.8	80%	0.8	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	9.7	-177.9	-72.2	-168.3	175.7	-177.2	0	115.3	G2 H6	G2-K4 PolarHBondContact O-N 3.48Å; K4-H6 PolarHBondContact O-N 2.87Å
5	Q	57.3	Low	64.8	Low	168 Å²	168	145.9 Å²	145.9	79%	0.785	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-17.5	-169.2	-155.5	163.7	-1.4	0	0	115.2
6	H	58.9	Low	65.6	Low	161 Å²	161	142.9 Å²	142.9	75%	0.745	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	9	-173.4	-73.7	-67.2	0	0	0	116.5	K4 K8	K4-H6 PolarHBondContact O-N 2.87Å; H6-K8 VanDerWaalsContact C-N 3.29Å; H6-K8 PolarHBondContact O-N 3.19Å
7	Q	60.4	Low	66.4	Low	159 Å²	159	137.2 Å²	137.2	74%	0.743	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-7.2	-176.7	-122.4	176.1	7.4	0	0	114.8	K10	Q7-K10 WeakPolarHBondContact O-CE 3.41Å
8	K	59.8	Low	66.7	Low	187 Å²	187	137.5 Å²	137.5	81%	0.813	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-12.2	-178.6	-69.6	-171.9	177	-175.1	0	114.6	H6 K10	H6-K8 VanDerWaalsContact C-N 3.29Å; H6-K8 PolarHBondContact O-N 3.19Å; K8-K10 VanDerWaalsContact C-N 3.33Å; K8-K10 PolarHBondContact O-N 3.32Å; K8-K10 VanDerWaalsContact O-N 3.12Å
9	D	66.2	Low	66.9	Low	136 Å²	136	132.7 Å²	132.7	73%	0.727	66%	0.658	S	S	*	*			trans	-88.8	67.4	178.1	-69.8	-24.9	0	0	0	111.2
10	K	75.8	Confident	67	Low	88 Å²	88	130.5 Å²	130.5	38%	0.383	65%	0.652	S	S	.	*			trans	-93.9	140.2	169.6	-58.4	172.4	-163.5	159.4	0	108.6	Q7 K8 Y12 E17	Q7-K10 WeakPolarHBondContact O-CE 3.41Å; K8-K10 VanDerWaalsContact C-N 3.33Å; K8-K10 PolarHBondContact O-N 3.32Å; K8-K10 VanDerWaalsContact O-N 3.12Å; K10-Y12 HydrophobicContact CB-CD1 4.36Å; K10-Y12 HydrophobicContact CB-CE1 4.24Å; K10-Y12 WeakPolarHBondContact CB-O 3.27Å; K10-Y12 HydrophobicContact CD-CE2 4.07Å; K10-Y12 PolarHBondContact O-N 3.17Å; K10-Y12 VanDerWaalsContact O-N 3.12Å; K10-E17 IonicContact NZ-OE1 2.63Å
11	L	80.1	Confident	67.1	Low	188 Å²	188	130.2 Å²	130.2	98%	0.984	65%	0.652	S	S	*	*	S	Bend	trans	-69.7	2	172.5	-90.3	114.6	0	0	0	114
12	Y	80.3	Confident	68.2	Low	153 Å²	153	125 Å²	125	60%	0.6	62%	0.619	S	S	*	*	S	Bend	trans	-136.9	150.2	177.7	60.9	-90.8	0	0	0	109.4	K10 T14	K10-Y12 HydrophobicContact CB-CD1 4.36Å; K10-Y12 HydrophobicContact CB-CE1 4.24Å; K10-Y12 WeakPolarHBondContact CB-O 3.27Å; K10-Y12 HydrophobicContact CD-CE2 4.07Å; K10-Y12 PolarHBondContact O-N 3.17Å; K10-Y12 VanDerWaalsContact O-N 3.12Å; Y12-T14 HydrophobicContact CE2-CG2 4.2Å
13	I	75.8	Confident	69	Low	79 Å²	79	125.7 Å²	125.7	41%	0.405	63%	0.626	S	S	.	*			trans	-97	130.1	174.3	-60.5	166.5	0	0	0	107.2	E17 W18 Y22	I13-E17 HydrophobicContact CG2-CB 3.55Å; I13-W18 HydrophobicContact CB-CE3 4.21Å; I13-W18 HydrophobicContact CD1-CE3 3.66Å; I13-W18 HydrophobicContact CD1-CZ3 3.67Å; I13-W18 HydrophobicContact CG2-CB 3.92Å; I13-W18 HydrophobicContact CG2-CE3 4.02Å; I13-Y22 HydrophobicContact CG2-CD2 4.17Å
14	T	79.3	Confident	69.2	Low	36 Å²	36	115.8 Å²	115.8	22%	0.221	59%	0.587	C	S	.	*			trans	-69.4	154	175.7	65.6	0	0	0	0	110.7	Y12 T16 E17 W18	Y12-T14 HydrophobicContact CE2-CG2 4.2Å; T14-T16 PolarHBondContact O-N 3.05Å; T14-T16 PolarHBondContact OG1-OG1 3.46Å; T14-E17 PolarHBondContact N-OE2 2.98Å; T14-E17 PolarHBondContact O-N 3.39Å; T14-E17 WeakPolarHBondContact OG1-CB 3.39Å; T14-E17 VanDerWaalsContact OG1-CD 3.29Å; T14-E17 WeakPolarHBondContact OG1-CG 3.43Å; T14-E17 PolarHBondContact OG1-N 3.41Å; T14-E17 VanDerWaalsContact OG1-N 3.1Å; T14-E17 PolarHBondContact OG1-OE2 3.09Å; T14-W18 PolarHBondContact O-N 3.23Å
15	C	75.4	Confident	69.5	Low	120 Å²	120	116.4 Å²	116.4	81%	0.811	59%	0.589	S	S	*	*	H	α-helix	trans	-52.4	-33.1	174.8	-73.3	0	0	0	0	112.8	S19	C15-S19 WeakPolarHBondContact O-CB 3.39Å; C15-S19 PolarHBondContact O-N 3.1Å; C15-S19 PolarHBondContact O-OG 3.08Å
16	T	76.6	Confident	69.5	Low	97 Å²	97	117.3 Å²	117.3	60%	0.595	59%	0.585	S	S	*	*	H	α-helix	trans	-71.3	-42	175.3	47.7	0	0	0	0	112.9	T14 S19 T20	T14-T16 PolarHBondContact O-N 3.05Å; T14-T16 PolarHBondContact OG1-OG1 3.46Å; T16-S19 PolarHBondContact O-N 2.94Å; T16-S19 PolarHBondContact O-OG 3.04Å; T16-S19 VanDerWaalsContact O-OG 3.11Å; T16-T20 WeakPolarHBondContact O-CB 3.34Å; T16-T20 WeakPolarHBondContact O-CG2 3.46Å; T16-T20 PolarHBondContact O-N 3.2Å; T16-T20 VanDerWaalsContact O-N 3.12Å; T16-T20 PolarHBondContact O-OG1 2.97Å
17	E	79.1	Confident	69.4	Low	46 Å²	46	114.1 Å²	114.1	22%	0.215	59%	0.587	C	S	.	*	H	α-helix	trans	-67.9	-37.1	175.5	-73.1	162.9	179.7	0	0	111.1	K10 I13 T14 L21 Y22	K10-E17 IonicContact NZ-OE1 2.63Å; I13-E17 HydrophobicContact CG2-CB 3.55Å; T14-E17 PolarHBondContact N-OE2 2.98Å; T14-E17 PolarHBondContact O-N 3.39Å; T14-E17 WeakPolarHBondContact OG1-CB 3.39Å; T14-E17 VanDerWaalsContact OG1-CD 3.29Å; T14-E17 WeakPolarHBondContact OG1-CG 3.43Å; T14-E17 PolarHBondContact OG1-N 3.41Å; T14-E17 VanDerWaalsContact OG1-N 3.1Å; T14-E17 PolarHBondContact OG1-OE2 3.09Å; E17-L21 HydrophobicContact CG-CD1 4.49Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 PolarHBondContact O-N 3.19Å; E17-Y22 HydrophobicContact CB-CD2 4.22Å; E17-Y22 HydrophobicContact CB-CE2 4.39Å; E17-Y22 PolarHBondContact O-N 2.98Å
18	W	72.3	Confident	68.8	Low	143 Å²	143	112 Å²	112	54%	0.542	59%	0.585	S	S	.	*	H	α-helix	trans	-65.8	-42.9	175.8	-168	-99.1	0	0	0	111.5	I13 T14 G24	I13-W18 HydrophobicContact CB-CE3 4.21Å; I13-W18 HydrophobicContact CD1-CE3 3.66Å; I13-W18 HydrophobicContact CD1-CZ3 3.67Å; I13-W18 HydrophobicContact CG2-CB 3.92Å; I13-W18 HydrophobicContact CG2-CE3 4.02Å; T14-W18 PolarHBondContact O-N 3.23Å; W18-G24 WeakPolarHBondContact O-CA 3.49Å; W18-G24 PolarHBondContact O-N 3.46Å
19	S	70.4	Confident	68.2	Low	46 Å²	46	110.1 Å²	110.1	32%	0.322	58%	0.584	S	S	.	*	H	α-helix	trans	-74.5	-24.8	-179	69.1	0	0	0	0	114.3	C15 T16	C15-S19 WeakPolarHBondContact O-CB 3.39Å; C15-S19 PolarHBondContact O-N 3.1Å; C15-S19 PolarHBondContact O-OG 3.08Å; T16-S19 PolarHBondContact O-N 2.94Å; T16-S19 PolarHBondContact O-OG 3.04Å; T16-S19 VanDerWaalsContact O-OG 3.11Å
20	T	68.9	Low	67.2	Low	89 Å²	89	109.6 Å²	109.6	55%	0.546	59%	0.59	S	S	.	*	H	α-helix	trans	-109.9	-41.7	-172.9	59.1	0	0	0	0	114.9	T16	T16-T20 WeakPolarHBondContact O-CB 3.34Å; T16-T20 WeakPolarHBondContact O-CG2 3.46Å; T16-T20 PolarHBondContact O-N 3.2Å; T16-T20 VanDerWaalsContact O-N 3.12Å; T16-T20 PolarHBondContact O-OG1 2.97Å
21	L	69.5	Low	65.9	Low	124 Å²	124	108.2 Å²	108.2	65%	0.649	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-43	-166.6	-78.7	157.8	0	0	0	114	E17	E17-L21 HydrophobicContact CG-CD1 4.49Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 PolarHBondContact O-N 3.19Å
22	Y	66.6	Low	64.6	Low	144 Å²	144	106.8 Å²	106.8	57%	0.565	58%	0.583	S	S	*	*	S	Bend	trans	-109.1	19	-163.7	-64.5	-77.3	0	0	0	116.1	I13 E17	I13-Y22 HydrophobicContact CG2-CD2 4.17Å; E17-Y22 HydrophobicContact CB-CD2 4.22Å; E17-Y22 HydrophobicContact CB-CE2 4.39Å; E17-Y22 PolarHBondContact O-N 2.98Å
23	G	64	Low	63.5	Low	73 Å²	73	106.7 Å²	106.7	75%	0.753	59%	0.588	S	S	*	*	S	Bend	trans	99.1	13.4	167.3	0	0	0	0	0	116.6
24	G	61.8	Low	63.2	Low	11 Å²	11	107.7 Å²	107.7	11%	0.113	59%	0.589	C	S	.	*	S	Bend	trans	-63.3	152.4	162.6	0	0	0	0	0	111.4	W18 R26	W18-G24 WeakPolarHBondContact O-CA 3.49Å; W18-G24 PolarHBondContact O-N 3.46Å; G24-R26 PolarHBondContact O-N 3.24Å
25	K	60.9	Low	63	Low	196 Å²	196	111.9 Å²	111.9	85%	0.852	61%	0.605	S	S	*	*			trans	-53	105.2	173	-177.7	-179.6	179.1	-178.2	0	108	A27	K25-A27 PolarHBondContact O-N 3.03Å
26	R	58.1	Low	63.3	Low	188 Å²	188	108.8 Å²	108.8	71%	0.709	58%	0.576	S	S	*	*			trans	-52.7	133.2	175.3	-66.3	-177.4	-176.3	174.7	2.2	106.8	G24 T28	G24-R26 PolarHBondContact O-N 3.24Å; R26-T28 PolarHBondContact O-N 3.39Å
27	A	55.6	Low	63.9	Low	93 Å²	93	104.5 Å²	104.5	77%	0.769	55%	0.549	S	S	*	.			trans	-56.9	99.2	163.8	0	0	0	0	0	105.1	K25 D29	K25-A27 PolarHBondContact O-N 3.03Å; A27-D29 VanDerWaalsContact C-N 3.29Å; A27-D29 PolarHBondContact O-N 3.2Å
28	T	48.3	Very low	64.3	Low	116 Å²	116	104 Å²	104	71%	0.712	55%	0.55	S	S	*	*			trans	-60.4	108.1	165.1	44.9	0	0	0	0	102.6	R26 S30	R26-T28 PolarHBondContact O-N 3.39Å; T28-S30 PolarHBondContact O-N 3.42Å
29	D	47.5	Very low	65.2	Low	147 Å²	147	98.2 Å²	98.2	79%	0.786	53%	0.529	S	S	*	.			trans	-39.7	133.7	161.4	-90	-31.8	0	0	0	106	A27 G31	A27-D29 VanDerWaalsContact C-N 3.29Å; A27-D29 PolarHBondContact O-N 3.2Å; D29-G31 PolarHBondContact O-N 3.16Å
30	S	44.5	Very low	66.2	Low	124 Å²	124	99 Å²	99	87%	0.867	53%	0.527	S	S	*	.			trans	-61.5	27.2	171.8	-43.5	0	0	0	0	111.8	T28 R32	T28-S30 PolarHBondContact O-N 3.42Å; S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 2.96Å
31	G	48.9	Very low	67.2	Low	59 Å²	59	95.2 Å²	95.2	61%	0.608	50%	0.504	S	S	*	.			trans	-54.1	98.5	159.6	0	0	0	0	0	107.3	D29 Q33	D29-G31 PolarHBondContact O-N 3.16Å; G31-Q33 PolarHBondContact O-N 3.23Å
32	R	53.6	Low	68.3	Low	159 Å²	159	89.3 Å²	89.3	60%	0.6	47%	0.473	S	S	*	.			trans	-24.5	109.7	172.7	-66.8	177	176.7	-177.1	-4	109.1	S30 F34 S170	S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 2.96Å; R32-F34 PolarHBondContact O-N 2.91Å; R32-S170 PolarHBondContact NH1-O 2.68Å
33	Q	57.2	Low	69.4	Low	151 Å²	151	82.5 Å²	82.5	71%	0.706	45%	0.447	S	S	*	.			trans	-37.1	114.5	-178.2	-70.9	174.6	-10.8	0	0	108.8	G31 K35	G31-Q33 PolarHBondContact O-N 3.23Å; Q33-K35 PolarHBondContact O-N 3.02Å
34	F	69.3	Low	70.7	Confident	100 Å²	100	80.5 Å²	80.5	44%	0.439	42%	0.418	S	S	.	.			trans	-57.3	106.2	178.3	173.4	-96.6	0	0	0	107.4	R32 R36 L164 N168	R32-F34 PolarHBondContact O-N 2.91Å; F34-R36 HydrophobicContact CE1-CB 3.78Å; F34-R36 HydrophobicContact CE1-CG 4.5Å; F34-R36 HydrophobicContact CZ-CB 4.07Å; F34-R36 HydrophobicContact CZ-CG 4.45Å; F34-L164 HydrophobicContact CE2-CB 4.3Å; F34-L164 WeakPolarHBondContact CE2-O 3.5Å; F34-L164 HydrophobicContact CZ-CB 3.87Å; F34-L164 HydrophobicContact CZ-CD2 4.32Å; F34-N168 HydrophobicContact CD2-CB 4.09Å; F34-N168 HydrophobicContact CE2-CB 4Å
35	K	74.1	Confident	72	Confident	124 Å²	124	81.5 Å²	81.5	54%	0.539	42%	0.424	S	S	.	.			trans	-110.2	105.3	176.5	-72.8	-175.7	-178.4	-174.8	0	106.6	Q33 I169	Q33-K35 PolarHBondContact O-N 3.02Å; K35-I169 HydrophobicContact CB-CD1 4.07Å; K35-I169 WeakPolarHBondContact O-CG1 3.35Å; K35-I169 PolarHBondContact O-N 3.08Å; K35-I169 VanDerWaalsContact O-N 3.1Å
36	R	82.9	Confident	73.5	Confident	54 Å²	54	75.6 Å²	75.6	20%	0.204	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-75.3	129.4	178	-174.5	176.4	-179.5	-173.7	-3.1	109.3	F34 P38 E112 Q159	F34-R36 HydrophobicContact CE1-CB 3.78Å; F34-R36 HydrophobicContact CE1-CG 4.5Å; F34-R36 HydrophobicContact CZ-CB 4.07Å; F34-R36 HydrophobicContact CZ-CG 4.45Å; R36-P38 WeakPolarHBondContact O-CD 3.37Å; R36-E112 PolarHBondContact NH1-O 2.98Å; R36-E112 PolarHBondContact NH2-O 3.39Å; R36-Q159 VanDerWaalsContact NH2-CG 3.33Å; R36-Q159 VanDerWaalsContact NH2-OE1 3.11Å
37	L	87.4	Confident	75	Confident	7 Å²	7	72.7 Å²	72.7	4%	0.037	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-73.9	125	167.7	-170.7	67.8	0	0	0	109.5	C41 S43 F46 F167 I169 F172	L37-C41 HydrophobicContact CD1-CB 3.72Å; L37-C41 HydrophobicContact CG-CB 4.1Å; L37-S43 WeakPolarHBondContact CD2-OG 3.32Å; L37-F46 HydrophobicContact CD1-CB 4.33Å; L37-F46 HydrophobicContact CD1-CD1 3.72Å; L37-F167 PolarHBondContact N-O 3.15Å; L37-F167 VanDerWaalsContact N-O 3.1Å; L37-I169 HydrophobicContact CB-CD1 4.28Å; L37-I169 HydrophobicContact CB-CG1 3.98Å; L37-I169 HydrophobicContact CD1-CD1 4.17Å; L37-I169 HydrophobicContact CD1-CG1 4.36Å; L37-F172 HydrophobicContact CD2-CE2 4.19Å; L37-F172 HydrophobicContact CD2-CZ 4.3Å
38	P	88.9	Confident	76.7	Confident	36 Å²	36	72.4 Å²	72.4	23%	0.234	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-61.1	145.2	171.9	-22.2	33.8	0	0	0	111.5	R36 H40 C41	R36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-H40 WeakPolarHBondContact CB-CE1 3.39Å; P38-H40 PolarHBondContact O-N 2.95Å; P38-C41 PolarHBondContact O-N 3.42Å
39	F	90.7	Very high	78.9	Confident	21 Å²	21	67.3 Å²	67.3	9%	0.092	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.2	-177	69.7	-89.4	0	0	0	114.4	C41 F49 F93 F101 F110 I116 Q159	F39-C41 VanDerWaalsContact C-N 3.33Å; F39-F49 WeakPolarHBondContact O-CE1 3.45Å; F39-F93 HydrophobicContact CD2-CE1 4.32Å; F39-F93 HydrophobicContact CE2-CE1 4.42Å; F39-F101 HydrophobicContact CE2-CB 4.42Å; F39-F101 HydrophobicContact CE2-CD2 4.12Å; F39-F110 HydrophobicContact CE1-CB 4.27Å; F39-F110 HydrophobicContact CE2-CB 4.08Å; F39-F110 HydrophobicContact CZ-CB 3.66Å; F39-I116 HydrophobicContact CB-CD1 4.18Å; F39-I116 HydrophobicContact CD1-CD1 3.99Å; F39-I116 HydrophobicContact CD2-CD1 3.76Å; F39-I116 HydrophobicContact CE1-CD1 4.34Å; F39-I116 HydrophobicContact CE2-CD1 4.13Å; F39-I116 HydrophobicContact CG-CD1 3.69Å; F39-I116 HydrophobicContact CZ-CD1 4.4Å; F39-Q159 HydrophobicContact CB-CB 4.49Å
40	H	90.8	Very high	81	Confident	63 Å²	63	66.2 Å²	66.2	29%	0.292	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2	-178.9	56.7	-91.5	0	0	0	113.2	P38 P48 F49 F101	P38-H40 WeakPolarHBondContact CB-CE1 3.39Å; P38-H40 PolarHBondContact O-N 2.95Å; H40-P48 CarbonylContact O-C 3.55Å; H40-P48 VanDerWaalsContact O-CA 3.24Å; H40-P48 WeakPolarHBondContact O-CA 3.47Å; H40-F49 VanDerWaalsContact C-CD1 3.43Å; H40-F49 HydrophobicContact CB-CE1 4.43Å; H40-F49 HydrophobicContact CB-CZ 4.46Å; H40-F49 WeakPolarHBondContact O-CD1 3.46Å; H40-F49 WeakPolarHBondContact O-CE1 3.42Å; H40-F49 PolarHBondContact O-N 3.18Å; H40-F101 HydrophobicContact CB-CD2 4.39Å; H40-F101 HydrophobicContact CB-CE2 4.01Å
41	C	91.1	Very high	83.3	Confident	9 Å²	9	63.8 Å²	63.8	6%	0.061	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-105.2	147.2	-178.9	-66.2	0	0	0	0	112.7	L37 P38 F39 Q47	L37-C41 HydrophobicContact CD1-CB 3.72Å; L37-C41 HydrophobicContact CG-CB 4.1Å; P38-C41 PolarHBondContact O-N 3.42Å; F39-C41 VanDerWaalsContact C-N 3.33Å; C41-Q47 CarbonylContact C-O 3.5Å; C41-Q47 VanDerWaalsContact CA-O 3.24Å; C41-Q47 WeakPolarHBondContact CA-O 3.31Å
42	C	91.9	Very high	85.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.298	C	S	.	.			trans	-70.8	135.2	171.8	173.9	0	0	0	0	111	I44 S45 F46 Q47 D62	C42-I44 PolarHBondContact O-N 3.45Å; C42-I44 PolarHBondContact SG-N 3.36Å; C42-S45 WeakPolarHBondContact CB-OG 3.28Å; C42-F46 VanDerWaalsContact O-CA 3.26Å; C42-F46 WeakPolarHBondContact O-CA 3.37Å; C42-F46 PolarHBondContact O-N 3.45Å; C42-Q47 PolarHBondContact N-O 3Å; C42-D62 HydrophobicContact CB-CB 3.96Å; C42-D62 PolarHBondContact SG-N 2.93Å
43	S	90.6	Very high	87.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.007	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.7	-178.4	-51.5	0	0	0	0	114.8	L37 F46 I59 V60 H174	L37-S43 WeakPolarHBondContact CD2-OG 3.32Å; S43-F46 WeakPolarHBondContact O-CE1 3.31Å; S43-I59 WeakPolarHBondContact OG-CG2 3.39Å; S43-V60 WeakPolarHBondContact CB-O 3.43Å; S43-V60 PolarHBondContact N-O 3.39Å; S43-V60 PolarHBondContact OG-O 3.2Å; S43-H174 PolarHBondContact O-CE1 3.18Å
44	I	90.5	Very high	89.2	Confident	31 Å²	31	49.5 Å²	49.5	16%	0.159	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-56.9	173.6	-64.2	161.8	0	0	0	111	C42 F61 N65 I66 F69 P77	C42-I44 PolarHBondContact O-N 3.45Å; C42-I44 PolarHBondContact SG-N 3.36Å; I44-F61 HydrophobicContact CD1-CD1 3.82Å; I44-F61 HydrophobicContact CD1-CE1 4.2Å; I44-F61 HydrophobicContact CG1-CD1 3.77Å; I44-F61 HydrophobicContact CG1-CE1 3.86Å; I44-N65 HydrophobicContact CB-CB 4.46Å; I44-N65 HydrophobicContact CD1-CB 4.38Å; I44-I66 HydrophobicContact CD1-CB 4.19Å; I44-I66 HydrophobicContact CD1-CD1 3.75Å; I44-F69 HydrophobicContact CD1-CB 4.07Å; I44-F69 HydrophobicContact CD1-CG 4.31Å; I44-P77 HydrophobicContact CD1-CB 4.44Å; I44-P77 HydrophobicContact CD1-CG 3.91Å; I44-P77 HydrophobicContact CG1-CB 3.87Å; I44-P77 HydrophobicContact CG1-CG 3.61Å
45	S	90	Very high	90.3	Very high	32 Å²	32	44.8 Å²	44.8	22%	0.224	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.2	-173.1	60.5	0	0	0	0	113.4	C42 Q47 N65	C42-S45 WeakPolarHBondContact CB-OG 3.28Å; S45-Q47 PolarHBondContact O-N 3.02Å; S45-Q47 VanDerWaalsContact O-N 3.11Å; S45-Q47 PolarHBondContact OG-N 3.07Å; S45-N65 PolarHBondContact OG-ND2 3.5Å
46	F	91.4	Very high	91.2	Very high	73 Å²	73	45.4 Å²	45.4	32%	0.32	23%	0.227	S	C	.	.			trans	58.5	13.7	-171.4	-47.3	-54.4	0	0	0	114.5	L37 C42 S43 I169 F172 H174 V175	L37-F46 HydrophobicContact CD1-CB 4.33Å; L37-F46 HydrophobicContact CD1-CD1 3.72Å; C42-F46 VanDerWaalsContact O-CA 3.26Å; C42-F46 WeakPolarHBondContact O-CA 3.37Å; C42-F46 PolarHBondContact O-N 3.45Å; S43-F46 WeakPolarHBondContact O-CE1 3.31Å; F46-I169 HydrophobicContact CD1-CG1 4.46Å; F46-I169 HydrophobicContact CD1-CG2 4.35Å; F46-I169 HydrophobicContact CE1-CG1 4.32Å; F46-I169 HydrophobicContact CE1-CG2 3.72Å; F46-I169 HydrophobicContact CE2-CG2 4.33Å; F46-I169 HydrophobicContact CZ-CG2 3.71Å; F46-F172 AromaticContact CE1-CD2 3.81Å; F46-F172 HydrophobicContact CE1-CD2 3.81Å; F46-F172 AromaticContact CE1-CE2 3.86Å; F46-F172 HydrophobicContact CE1-CE2 3.86Å; F46-F172 HydrophobicContact CZ-CD2 4.28Å; F46-H174 AromaticContact CZ-CE1 3.96Å; F46-H174 AromaticContact CZ-NE2 3.48Å; F46-H174 WeakPolarHBondContact CZ-NE2 3.49Å; F46-V175 HydrophobicContact CE2-CG2 4.27Å; F46-V175 HydrophobicContact CZ-CG2 3.6Å
47	Q	90.6	Very high	91.5	Very high	126 Å²	126	47 Å²	47	59%	0.589	24%	0.237	S	C	*	.	S	Bend	trans	-99.8	156.4	176.6	-69.2	175.9	-26.5	0	0	110.7	C41 C42 S45 F49	C41-Q47 CarbonylContact C-O 3.5Å; C41-Q47 VanDerWaalsContact CA-O 3.24Å; C41-Q47 WeakPolarHBondContact CA-O 3.31Å; C42-Q47 PolarHBondContact N-O 3Å; S45-Q47 PolarHBondContact O-N 3.02Å; S45-Q47 VanDerWaalsContact O-N 3.11Å; S45-Q47 PolarHBondContact OG-N 3.07Å; Q47-F49 PolarHBondContact O-N 2.91Å
48	P	91.5	Very high	91.7	Very high	87 Å²	87	46.6 Å²	46.6	57%	0.565	24%	0.235	S	C	*	.	B	Isolated β-bridge	trans	-53.2	130.9	172.4	-25.3	34.8	0	0	0	111.3	H40	H40-P48 CarbonylContact O-C 3.55Å; H40-P48 VanDerWaalsContact O-CA 3.24Å; H40-P48 WeakPolarHBondContact O-CA 3.47Å
49	F	92.8	Very high	91.8	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.039	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-72.4	148.3	178.9	54.1	-113.9	0	0	0	111.3	F39 H40 Q47 P52 V60 D62 F93 F101	F39-F49 WeakPolarHBondContact O-CE1 3.45Å; H40-F49 VanDerWaalsContact C-CD1 3.43Å; H40-F49 HydrophobicContact CB-CE1 4.43Å; H40-F49 HydrophobicContact CB-CZ 4.46Å; H40-F49 WeakPolarHBondContact O-CD1 3.46Å; H40-F49 WeakPolarHBondContact O-CE1 3.42Å; H40-F49 PolarHBondContact O-N 3.18Å; Q47-F49 PolarHBondContact O-N 2.91Å; F49-P52 HydrophobicContact CB-CB 4.47Å; F49-P52 HydrophobicContact CD1-CB 4.07Å; F49-P52 HydrophobicContact CD2-CB 3.46Å; F49-P52 VanDerWaalsContact CD2-CB 3.46Å; F49-P52 HydrophobicContact CD2-CG 3.62Å; F49-P52 HydrophobicContact CE1-CB 4.12Å; F49-P52 HydrophobicContact CE2-CB 3.58Å; F49-P52 HydrophobicContact CE2-CG 3.55Å; F49-P52 HydrophobicContact CG-CB 3.75Å; F49-P52 HydrophobicContact CG-CG 4.4Å; F49-P52 HydrophobicContact CZ-CB 3.92Å; F49-P52 HydrophobicContact CZ-CG 4.25Å; F49-V60 HydrophobicContact CD1-CG1 3.65Å; F49-V60 HydrophobicContact CE1-CG1 3.7Å; F49-D62 WeakPolarHBondContact CA-OD2 3.35Å; F49-D62 HydrophobicContact CB-CB 4.08Å; F49-F93 HydrophobicContact CE1-CE2 4.21Å; F49-F93 AromaticContact CE2-CD2 3.99Å; F49-F93 HydrophobicContact CE2-CD2 3.99Å; F49-F93 HydrophobicContact CE2-CE2 4.06Å; F49-F93 AromaticContact CZ-CD2 3.81Å; F49-F93 HydrophobicContact CZ-CD2 3.81Å; F49-F93 AromaticContact CZ-CE2 3.45Å; F49-F93 HydrophobicContact CZ-CE2 3.45Å; F49-F93 VanDerWaalsContact CZ-CE2 3.45Å; F49-F93 AromaticContact CZ-CZ 3.9Å; F49-F93 HydrophobicContact CZ-CZ 3.9Å; F49-F101 HydrophobicContact CE2-CZ 4.01Å; F49-F101 HydrophobicContact CZ-CZ 4.45Å
50	L	91.8	Very high	92	Very high	124 Å²	124	44.4 Å²	44.4	65%	0.649	22%	0.222	S	C	*	.	S	Bend	trans	-95.9	-46.5	166.1	-65.9	173.3	0	0	0	110.7	P52 D62	L50-P52 WeakPolarHBondContact O-CD 3.2Å; L50-D62 PolarHBondContact N-OD2 3.26Å
51	N	92.6	Very high	92.1	Very high	73 Å²	73	41.4 Å²	41.4	39%	0.39	21%	0.209	S	C	.	.	S	Bend	trans	-119.8	86	-178.3	-69	-47.4	0	0	0	110.3	Y53 D62 L63	N51-Y53 WeakPolarHBondContact O-CD2 3.46Å; N51-Y53 PolarHBondContact O-N 3.02Å; N51-D62 WeakPolarHBondContact CA-OD1 3.1Å; N51-D62 PolarHBondContact N-OD1 3.38Å; N51-D62 VanDerWaalsContact O-OD1 3.14Å; N51-L63 HydrophobicContact CB-CB 3.83Å; N51-L63 PolarHBondContact O-N 3.32Å
52	P	94.9	Very high	92.3	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.104	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.4	-172.4	26.8	-31.1	0	0	0	112.6	F49 L50 V60 F61 L91 F93	F49-P52 HydrophobicContact CB-CB 4.47Å; F49-P52 HydrophobicContact CD1-CB 4.07Å; F49-P52 HydrophobicContact CD2-CB 3.46Å; F49-P52 VanDerWaalsContact CD2-CB 3.46Å; F49-P52 HydrophobicContact CD2-CG 3.62Å; F49-P52 HydrophobicContact CE1-CB 4.12Å; F49-P52 HydrophobicContact CE2-CB 3.58Å; F49-P52 HydrophobicContact CE2-CG 3.55Å; F49-P52 HydrophobicContact CG-CB 3.75Å; F49-P52 HydrophobicContact CG-CG 4.4Å; F49-P52 HydrophobicContact CZ-CB 3.92Å; F49-P52 HydrophobicContact CZ-CG 4.25Å; L50-P52 WeakPolarHBondContact O-CD 3.2Å; P52-V60 HydrophobicContact CB-CG1 4.2Å; P52-F61 WeakPolarHBondContact CA-O 3.3Å; P52-L91 HydrophobicContact CB-CB 4.05Å; P52-L91 HydrophobicContact CB-CD1 4.46Å; P52-L91 HydrophobicContact CG-CB 4.11Å; P52-L91 PolarHBondContact O-N 2.85Å; P52-F93 HydrophobicContact CB-CD2 4.33Å; P52-F93 HydrophobicContact CB-CE2 4.15Å; P52-F93 HydrophobicContact CG-CD2 3.85Å; P52-F93 HydrophobicContact CG-CE2 4.18Å
53	Y	95	Very high	92.3	Very high	53 Å²	53	43.3 Å²	43.3	21%	0.208	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.3	167.7	-80	-106.9	0	0	0	109.2	N51 V60 F61 L63 L88 I89 K90	N51-Y53 WeakPolarHBondContact O-CD2 3.46Å; N51-Y53 PolarHBondContact O-N 3.02Å; Y53-V60 CarbonylContact O-C 3.55Å; Y53-V60 WeakPolarHBondContact O-CA 3.5Å; Y53-F61 PolarHBondContact N-O 3.22Å; Y53-F61 PolarHBondContact O-N 3.44Å; Y53-L63 HydrophobicContact CD2-CB 3.91Å; Y53-L63 HydrophobicContact CD2-CD1 3.9Å; Y53-L63 HydrophobicContact CD2-CG 4.4Å; Y53-L63 HydrophobicContact CE1-CD1 4.37Å; Y53-L63 HydrophobicContact CE2-CB 3.92Å; Y53-L63 HydrophobicContact CE2-CD1 3.63Å; Y53-L63 HydrophobicContact CE2-CD2 3.99Å; Y53-L63 HydrophobicContact CE2-CG 4.06Å; Y53-L63 HydrophobicContact CG-CD1 4.41Å; Y53-L88 HydrophobicContact CD1-CB 3.93Å; Y53-I89 CarbonylContact C-O 3.54Å; Y53-I89 VanDerWaalsContact CA-O 3.3Å; Y53-I89 WeakPolarHBondContact CA-O 3.22Å; Y53-K90 HydrophobicContact CD1-CB 4.15Å; Y53-K90 HydrophobicContact CE1-CB 3.66Å; Y53-K90 HydrophobicContact CE1-CG 4.31Å; Y53-K90 HydrophobicContact CE2-CB 4.35Å; Y53-K90 HydrophobicContact CE2-CG 4.14Å
54	C	94.1	Very high	92.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.7	176	73	0	0	0	0	113.3	I59 V60 I89 L91	C54-I59 WeakPolarHBondContact CA-O 3.19Å; C54-V60 HydrophobicContact CB-CG2 4.47Å; C54-I89 PolarHBondContact N-O 3.16Å; C54-I89 PolarHBondContact O-N 3.24Å; C54-L91 HydrophobicContact CB-CD1 3.76Å; C54-L91 HydrophobicContact CB-CD2 4.35Å; C54-L91 HydrophobicContact CB-CG 4.04Å; C54-L91 VanDerWaalsContact SG-CD2 3.52Å
55	T	93.2	Very high	92.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.252	C	S	.	.			trans	-87.7	166.3	169.4	65.5	0	0	0	0	110.1	E57 G58 I59 F61 M83 L88	T55-E57 PolarHBondContact O-N 3Å; T55-E57 VanDerWaalsContact O-N 3.13Å; T55-E57 PolarHBondContact OG1-N 2.94Å; T55-G58 WeakPolarHBondContact O-CA 3.46Å; T55-G58 PolarHBondContact O-N 3.3Å; T55-I59 PolarHBondContact N-O 3.34Å; T55-I59 VanDerWaalsContact N-O 3.13Å; T55-I59 PolarHBondContact OG1-N 3.23Å; T55-F61 HydrophobicContact CG2-CD2 4.27Å; T55-F61 HydrophobicContact CG2-CE2 3.73Å; T55-M83 HydrophobicContact CG2-CE 3.5Å; T55-M83 VanDerWaalsContact CG2-CE 3.5Å; T55-M83 HydrophobicContact CG2-SD 3.62Å; T55-L88 HydrophobicContact CG2-CD2 4.32Å
56	K	92	Very high	92.4	Very high	137 Å²	137	48.8 Å²	48.8	60%	0.596	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.9	172.2	-65.3	-179.1	-178.2	176.1	0	113.3	G58 I89	K56-G58 PolarHBondContact O-N 3.13Å; K56-I89 HydrophobicContact CG-CD1 4.45Å
57	E	89.9	Confident	92.4	Very high	87 Å²	87	48 Å²	48	41%	0.407	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.4	175.9	-63.7	171.5	166.4	0	0	112.2	T55 I59 T79 K166	T55-E57 PolarHBondContact O-N 3Å; T55-E57 VanDerWaalsContact O-N 3.13Å; T55-E57 PolarHBondContact OG1-N 2.94Å; E57-I59 HydrophobicContact CB-CD1 4.39Å; E57-I59 HydrophobicContact CB-CG1 4.41Å; E57-I59 WeakPolarHBondContact OE2-CD1 3.42Å; E57-T79 WeakPolarHBondContact OE2-CG2 3.39Å; E57-K166 WeakPolarHBondContact O-CE 3.44Å; E57-K166 PolarHBondContact O-NZ 2.75Å
58	G	90.7	Very high	92.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.			trans	85.8	26.9	-179.3	0	0	0	0	0	114.6	T55 K56 I156	T55-G58 WeakPolarHBondContact O-CA 3.46Å; T55-G58 PolarHBondContact O-N 3.3Å; K56-G58 PolarHBondContact O-N 3.13Å; G58-I156 VanDerWaalsContact CA-CG2 3.4Å
59	I	92.5	Very high	92.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.213	C	C	.	.			trans	-90.4	126	174.3	-57.4	168.7	0	0	0	108.4	S43 C54 T55 E57 F61 V78 T79	S43-I59 WeakPolarHBondContact OG-CG2 3.39Å; C54-I59 WeakPolarHBondContact CA-O 3.19Å; T55-I59 PolarHBondContact N-O 3.34Å; T55-I59 VanDerWaalsContact N-O 3.13Å; T55-I59 PolarHBondContact OG1-N 3.23Å; E57-I59 HydrophobicContact CB-CD1 4.39Å; E57-I59 HydrophobicContact CB-CG1 4.41Å; E57-I59 WeakPolarHBondContact OE2-CD1 3.42Å; I59-F61 HydrophobicContact CB-CE2 4.11Å; I59-F61 HydrophobicContact CB-CZ 4.32Å; I59-F61 HydrophobicContact CG2-CD2 4.45Å; I59-F61 HydrophobicContact CG2-CE1 4.08Å; I59-F61 HydrophobicContact CG2-CE2 3.62Å; I59-F61 HydrophobicContact CG2-CZ 3.39Å; I59-V78 HydrophobicContact CD1-CB 3.9Å; I59-V78 HydrophobicContact CD1-CG1 3.73Å; I59-V78 HydrophobicContact CG2-CB 4.22Å; I59-V78 HydrophobicContact CG2-CG2 3.75Å; I59-T79 HydrophobicContact CD1-CG2 3.96Å
60	V	93.6	Very high	92.3	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.3	-174.2	-174	0	0	0	0	111.4	S43 F49 P52 Y53 C54 L91 I158	S43-V60 WeakPolarHBondContact CB-O 3.43Å; S43-V60 PolarHBondContact N-O 3.39Å; S43-V60 PolarHBondContact OG-O 3.2Å; F49-V60 HydrophobicContact CD1-CG1 3.65Å; F49-V60 HydrophobicContact CE1-CG1 3.7Å; P52-V60 HydrophobicContact CB-CG1 4.2Å; Y53-V60 CarbonylContact O-C 3.55Å; Y53-V60 WeakPolarHBondContact O-CA 3.5Å; C54-V60 HydrophobicContact CB-CG2 4.47Å; V60-L91 HydrophobicContact CG1-CD1 4.37Å; V60-L91 HydrophobicContact CG2-CD1 4.05Å; V60-I158 HydrophobicContact CG2-CG2 3.72Å
61	F	94.4	Very high	92.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.6	176.8	-59.6	-72.2	0	0	0	110.8	I44 P52 Y53 T55 I59 I66 P77 V78	I44-F61 HydrophobicContact CD1-CD1 3.82Å; I44-F61 HydrophobicContact CD1-CE1 4.2Å; I44-F61 HydrophobicContact CG1-CD1 3.77Å; I44-F61 HydrophobicContact CG1-CE1 3.86Å; P52-F61 WeakPolarHBondContact CA-O 3.3Å; Y53-F61 PolarHBondContact N-O 3.22Å; Y53-F61 PolarHBondContact O-N 3.44Å; T55-F61 HydrophobicContact CG2-CD2 4.27Å; T55-F61 HydrophobicContact CG2-CE2 3.73Å; I59-F61 HydrophobicContact CB-CE2 4.11Å; I59-F61 HydrophobicContact CB-CZ 4.32Å; I59-F61 HydrophobicContact CG2-CD2 4.45Å; I59-F61 HydrophobicContact CG2-CE1 4.08Å; I59-F61 HydrophobicContact CG2-CE2 3.62Å; I59-F61 HydrophobicContact CG2-CZ 3.39Å; F61-I66 HydrophobicContact CB-CB 3.84Å; F61-I66 HydrophobicContact CB-CD1 4.47Å; F61-I66 HydrophobicContact CB-CG1 4.19Å; F61-I66 HydrophobicContact CB-CG2 4.24Å; F61-I66 HydrophobicContact CD1-CD1 4.12Å; F61-I66 HydrophobicContact CD2-CD1 4.06Å; F61-I66 HydrophobicContact CD2-CG1 4.28Å; F61-I66 HydrophobicContact CE1-CD1 4.37Å; F61-I66 HydrophobicContact CE2-CD1 4.31Å; F61-I66 HydrophobicContact CG-CB 4.27Å; F61-I66 HydrophobicContact CG-CD1 3.95Å; F61-I66 HydrophobicContact CG-CG1 4.16Å; F61-I66 HydrophobicContact CZ-CD1 4.46Å; F61-P77 HydrophobicContact CD1-CG 4.18Å; F61-P77 HydrophobicContact CE1-CB 4.48Å; F61-P77 HydrophobicContact CE1-CG 3.22Å; F61-P77 HydrophobicContact CZ-CG 3.44Å; F61-P77 VanDerWaalsContact CZ-CG 3.44Å; F61-V78 HydrophobicContact CE1-CG2 4.2Å; F61-V78 HydrophobicContact CZ-CG2 4.05Å
62	D	93.5	Very high	92.1	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.9	166	-156.5	-14.2	0	0	0	109.8	C42 F49 L50 N51 E64 N65 I66	C42-D62 HydrophobicContact CB-CB 3.96Å; C42-D62 PolarHBondContact SG-N 2.93Å; F49-D62 WeakPolarHBondContact CA-OD2 3.35Å; F49-D62 HydrophobicContact CB-CB 4.08Å; L50-D62 PolarHBondContact N-OD2 3.26Å; N51-D62 WeakPolarHBondContact CA-OD1 3.1Å; N51-D62 PolarHBondContact N-OD1 3.38Å; N51-D62 VanDerWaalsContact O-OD1 3.14Å; D62-E64 VanDerWaalsContact C-N 3.27Å; D62-E64 PolarHBondContact O-N 2.97Å; D62-N65 PolarHBondContact O-N 3.36Å; D62-N65 VanDerWaalsContact O-N 3.09Å; D62-I66 WeakPolarHBondContact O-CG2 3.37Å; D62-I66 PolarHBondContact O-N 3.36Å
63	L	92.3	Very high	91.7	Very high	43 Å²	43	50.9 Å²	50.9	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-54.1	-44.2	-178.1	-174.2	66.4	0	0	0	112	N51 Y53 N65 L67	N51-L63 HydrophobicContact CB-CB 3.83Å; N51-L63 PolarHBondContact O-N 3.32Å; Y53-L63 HydrophobicContact CD2-CB 3.91Å; Y53-L63 HydrophobicContact CD2-CD1 3.9Å; Y53-L63 HydrophobicContact CD2-CG 4.4Å; Y53-L63 HydrophobicContact CE1-CD1 4.37Å; Y53-L63 HydrophobicContact CE2-CB 3.92Å; Y53-L63 HydrophobicContact CE2-CD1 3.63Å; Y53-L63 HydrophobicContact CE2-CD2 3.99Å; Y53-L63 HydrophobicContact CE2-CG 4.06Å; Y53-L63 HydrophobicContact CG-CD1 4.41Å; L63-N65 PolarHBondContact O-N 2.82Å; L63-L67 HydrophobicContact CD1-CD1 3.57Å; L63-L67 HydrophobicContact CD1-CD2 4.17Å; L63-L67 HydrophobicContact CD1-CG 3.73Å; L63-L67 HydrophobicContact CG-CD1 3.74Å; L63-L67 HydrophobicContact CG-CG 4.21Å; L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.43Å; L63-L67 PolarHBondContact O-N 3.34Å
64	E	91.8	Very high	91.4	Very high	124 Å²	124	49.8 Å²	49.8	58%	0.579	24%	0.244	S	C	*	.	H	α-helix	trans	-63.8	-28.1	-177.8	-65.3	-177.2	177.3	0	0	112.8	D62 P68	D62-E64 VanDerWaalsContact C-N 3.27Å; D62-E64 PolarHBondContact O-N 2.97Å; E64-P68 WeakPolarHBondContact O-CD 3.48Å; E64-P68 WeakPolarHBondContact O-CG 3.46Å
65	N	90.7	Very high	91.3	Very high	54 Å²	54	51.7 Å²	51.7	29%	0.289	25%	0.254	S	S	.	.	H	α-helix	trans	-94.8	-38.2	-177.7	-70.2	-56.3	0	0	0	112.5	I44 S45 D62 L63 F69	I44-N65 HydrophobicContact CB-CB 4.46Å; I44-N65 HydrophobicContact CD1-CB 4.38Å; S45-N65 PolarHBondContact OG-ND2 3.5Å; D62-N65 PolarHBondContact O-N 3.36Å; D62-N65 VanDerWaalsContact O-N 3.09Å; L63-N65 PolarHBondContact O-N 2.82Å; N65-F69 WeakPolarHBondContact O-CB 3.24Å; N65-F69 PolarHBondContact O-N 3.26Å
66	I	91.8	Very high	91.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-75.9	-35	-177.2	-168.4	60.7	0	0	0	112.7	I44 F61 D62 F69 L70 P77 L88	I44-I66 HydrophobicContact CD1-CB 4.19Å; I44-I66 HydrophobicContact CD1-CD1 3.75Å; F61-I66 HydrophobicContact CB-CB 3.84Å; F61-I66 HydrophobicContact CB-CD1 4.47Å; F61-I66 HydrophobicContact CB-CG1 4.19Å; F61-I66 HydrophobicContact CB-CG2 4.24Å; F61-I66 HydrophobicContact CD1-CD1 4.12Å; F61-I66 HydrophobicContact CD2-CD1 4.06Å; F61-I66 HydrophobicContact CD2-CG1 4.28Å; F61-I66 HydrophobicContact CE1-CD1 4.37Å; F61-I66 HydrophobicContact CE2-CD1 4.31Å; F61-I66 HydrophobicContact CG-CB 4.27Å; F61-I66 HydrophobicContact CG-CD1 3.95Å; F61-I66 HydrophobicContact CG-CG1 4.16Å; F61-I66 HydrophobicContact CZ-CD1 4.46Å; D62-I66 WeakPolarHBondContact O-CG2 3.37Å; D62-I66 PolarHBondContact O-N 3.36Å; I66-F69 PolarHBondContact O-N 2.87Å; I66-L70 HydrophobicContact CD1-CD1 4.22Å; I66-L70 HydrophobicContact CD1-CG 3.99Å; I66-L70 HydrophobicContact CG1-CD1 3.82Å; I66-L70 HydrophobicContact CG1-CG 4.04Å; I66-L70 WeakPolarHBondContact O-CB 3.3Å; I66-L70 WeakPolarHBondContact O-CG 3.17Å; I66-L70 PolarHBondContact O-N 3.23Å; I66-P77 HydrophobicContact CD1-CG 4.18Å; I66-L88 HydrophobicContact CG1-CD1 4.02Å; I66-L88 HydrophobicContact CG1-CD2 4.27Å; I66-L88 HydrophobicContact CG2-CD1 3.91Å
67	L	91.1	Very high	91	Very high	56 Å²	56	45.1 Å²	45.1	29%	0.293	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-48.8	-179.4	-69.9	178.9	0	0	0	112	L63 F69 K71 M85	L63-L67 HydrophobicContact CD1-CD1 3.57Å; L63-L67 HydrophobicContact CD1-CD2 4.17Å; L63-L67 HydrophobicContact CD1-CG 3.73Å; L63-L67 HydrophobicContact CG-CD1 3.74Å; L63-L67 HydrophobicContact CG-CG 4.21Å; L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.43Å; L63-L67 PolarHBondContact O-N 3.34Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.15Å; L67-K71 VanDerWaalsContact O-CG 3.32Å; L67-K71 WeakPolarHBondContact O-CG 3.36Å; L67-K71 PolarHBondContact O-N 3.42Å; L67-K71 VanDerWaalsContact O-N 3.09Å; L67-M85 HydrophobicContact CD2-CG 4.48Å; L67-M85 HydrophobicContact CD2-SD 4.23Å
68	P	90.8	Very high	90.9	Very high	65 Å²	65	41.9 Å²	41.9	42%	0.422	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-39.7	173.7	-23.2	34.8	0	0	0	112.7	E64 K71 K72	E64-P68 WeakPolarHBondContact O-CD 3.48Å; E64-P68 WeakPolarHBondContact O-CG 3.46Å; P68-K71 PolarHBondContact O-N 2.83Å; P68-K72 WeakPolarHBondContact O-CG 3.18Å; P68-K72 PolarHBondContact O-N 3.19Å
69	F	89.9	Confident	90.8	Very high	37 Å²	37	44.3 Å²	44.3	16%	0.162	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-45.3	-179	-168.4	-87.6	0	0	0	112.4	I44 N65 I66 L67 K71 K72 H73 I75 P77 H174	I44-F69 HydrophobicContact CD1-CB 4.07Å; I44-F69 HydrophobicContact CD1-CG 4.31Å; N65-F69 WeakPolarHBondContact O-CB 3.24Å; N65-F69 PolarHBondContact O-N 3.26Å; I66-F69 PolarHBondContact O-N 2.87Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.15Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 3.46Å; F69-K72 PolarHBondContact O-N 3Å; F69-H73 AromaticContact CD2-CD2 3.81Å; F69-H73 HydrophobicContact CE1-CB 4.19Å; F69-H73 AromaticContact CE2-CD2 3.5Å; F69-H73 AromaticContact CE2-NE2 4Å; F69-H73 HydrophobicContact CZ-CB 4.41Å; F69-H73 AromaticContact CZ-CD2 3.63Å; F69-H73 PolarHBondContact O-N 3.37Å; F69-I75 VanDerWaalsContact CE1-O 3.32Å; F69-I75 WeakPolarHBondContact CE1-O 3.45Å; F69-P77 HydrophobicContact CD1-CB 4.01Å; F69-P77 HydrophobicContact CD1-CG 4.29Å; F69-P77 HydrophobicContact CE1-CB 3.58Å; F69-P77 HydrophobicContact CE1-CG 4.25Å; F69-P77 HydrophobicContact CE2-CB 4.34Å; F69-P77 HydrophobicContact CZ-CB 3.77Å; F69-H174 HydrophobicContact CE2-CB 4.38Å; F69-H174 HydrophobicContact CZ-CB 4.27Å
70	L	91.1	Very high	90.6	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-34.5	176.8	-74	176.4	0	0	0	112.2	I66 K72 G74 M83 M85 L88	I66-L70 HydrophobicContact CD1-CD1 4.22Å; I66-L70 HydrophobicContact CD1-CG 3.99Å; I66-L70 HydrophobicContact CG1-CD1 3.82Å; I66-L70 HydrophobicContact CG1-CG 4.04Å; I66-L70 WeakPolarHBondContact O-CB 3.3Å; I66-L70 WeakPolarHBondContact O-CG 3.17Å; I66-L70 PolarHBondContact O-N 3.23Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-G74 VanDerWaalsContact O-CA 3.32Å; L70-G74 WeakPolarHBondContact O-CA 3.43Å; L70-G74 PolarHBondContact O-N 3.12Å; L70-M83 HydrophobicContact CD2-CB 4.13Å; L70-M83 HydrophobicContact CD2-CG 4.4Å; L70-M85 HydrophobicContact CB-CE 4.36Å; L70-M85 HydrophobicContact CB-CG 4.46Å; L70-M85 HydrophobicContact CD1-CG 4.17Å; L70-L88 HydrophobicContact CD1-CD1 3.83Å; L70-L88 HydrophobicContact CD1-CG 4.42Å
71	K	90.3	Very high	90.4	Very high	158 Å²	158	49.9 Å²	49.9	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-39.4	173.1	-75.5	179.7	-177.4	-179.6	0	112.2	L67 P68 F69 M85	L67-K71 VanDerWaalsContact O-CG 3.32Å; L67-K71 WeakPolarHBondContact O-CG 3.36Å; L67-K71 PolarHBondContact O-N 3.42Å; L67-K71 VanDerWaalsContact O-N 3.09Å; P68-K71 PolarHBondContact O-N 2.83Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 3.46Å; K71-M85 HydrophobicContact CB-CE 4.42Å; K71-M85 HydrophobicContact CD-CE 4.28Å; K71-M85 HydrophobicContact CG-CE 3.33Å
72	K	89.8	Confident	90.3	Very high	134 Å²	134	59 Å²	59	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-78.1	-49.6	-178.4	-74.1	-173.5	172.6	-166.1	0	113.2	P68 F69 L70	P68-K72 WeakPolarHBondContact O-CG 3.18Å; P68-K72 PolarHBondContact O-N 3.19Å; F69-K72 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact C-N 3.34Å
73	H	87.9	Confident	90	Very high	92 Å²	92	59.9 Å²	59.9	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-108.5	-22.4	-169.6	-60.3	-71.1	0	0	0	114.5	F69 I75	F69-H73 AromaticContact CD2-CD2 3.81Å; F69-H73 HydrophobicContact CE1-CB 4.19Å; F69-H73 AromaticContact CE2-CD2 3.5Å; F69-H73 AromaticContact CE2-NE2 4Å; F69-H73 HydrophobicContact CZ-CB 4.41Å; F69-H73 AromaticContact CZ-CD2 3.63Å; F69-H73 PolarHBondContact O-N 3.37Å; H73-I75 WeakPolarHBondContact O-CG1 3.42Å; H73-I75 PolarHBondContact O-N 3.12Å
74	G	88.3	Confident	89.9	Confident	30 Å²	30	64.7 Å²	64.7	31%	0.309	32%	0.324	S	S	.	.			trans	62.4	19.7	-176.6	0	0	0	0	0	115	L70 K82 M83	L70-G74 VanDerWaalsContact O-CA 3.32Å; L70-G74 WeakPolarHBondContact O-CA 3.43Å; L70-G74 PolarHBondContact O-N 3.12Å; G74-K82 WeakPolarHBondContact O-CA 3.21Å; G74-M83 PolarHBondContact O-N 3.41Å
75	I	91.4	Very high	89.8	Confident	41 Å²	41	62.9 Å²	62.9	21%	0.21	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-130.1	148.5	-172	-66.3	162.9	0	0	0	109.5	F69 H73 G80 L81	F69-I75 VanDerWaalsContact CE1-O 3.32Å; F69-I75 WeakPolarHBondContact CE1-O 3.45Å; H73-I75 WeakPolarHBondContact O-CG1 3.42Å; H73-I75 PolarHBondContact O-N 3.12Å; I75-G80 VanDerWaalsContact CG2-CA 3.46Å; I75-G80 VanDerWaalsContact CG2-O 3.27Å; I75-G80 WeakPolarHBondContact CG2-O 3.33Å; I75-L81 CarbonylContact C-O 3.6Å; I75-L81 WeakPolarHBondContact CA-O 3.37Å
76	N	90.1	Very high	89.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.338	C	S	.	.			trans	-70	121.4	171.3	-179.1	-23.2	0	0	0	109.9	V78 T79 G80 L81 M83	N76-V78 PolarHBondContact O-N 3.41Å; N76-V78 VanDerWaalsContact O-N 3.1Å; N76-V78 PolarHBondContact OD1-N 2.98Å; N76-T79 WeakPolarHBondContact CB-OG1 3.17Å; N76-T79 VanDerWaalsContact CG-OG1 3.32Å; N76-T79 PolarHBondContact ND2-OG1 3.41Å; N76-G80 WeakPolarHBondContact O-CA 3.27Å; N76-G80 PolarHBondContact O-N 3.24Å; N76-L81 PolarHBondContact N-O 2.83Å; N76-M83 HydrophobicContact CB-CB 4.34Å; N76-M83 HydrophobicContact CB-CE 3.96Å; N76-M83 HydrophobicContact CB-SD 4.23Å; N76-M83 VanDerWaalsContact ND2-CE 3.35Å; N76-M83 WeakPolarHBondContact ND2-CE 3.4Å
77	P	88.8	Confident	89.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.9	-175.7	28.6	-40.2	0	0	0	114.7	I44 F61 I66 F69 Y173 H174	I44-P77 HydrophobicContact CD1-CB 4.44Å; I44-P77 HydrophobicContact CD1-CG 3.91Å; I44-P77 HydrophobicContact CG1-CB 3.87Å; I44-P77 HydrophobicContact CG1-CG 3.61Å; F61-P77 HydrophobicContact CD1-CG 4.18Å; F61-P77 HydrophobicContact CE1-CB 4.48Å; F61-P77 HydrophobicContact CE1-CG 3.22Å; F61-P77 HydrophobicContact CZ-CG 3.44Å; F61-P77 VanDerWaalsContact CZ-CG 3.44Å; I66-P77 HydrophobicContact CD1-CG 4.18Å; F69-P77 HydrophobicContact CD1-CB 4.01Å; F69-P77 HydrophobicContact CD1-CG 4.29Å; F69-P77 HydrophobicContact CE1-CB 3.58Å; F69-P77 HydrophobicContact CE1-CG 4.25Å; F69-P77 HydrophobicContact CE2-CB 4.34Å; F69-P77 HydrophobicContact CZ-CB 3.77Å; P77-Y173 WeakPolarHBondContact O-CB 3.44Å; P77-Y173 PolarHBondContact O-N 3.5Å; P77-H174 HydrophobicContact CB-CB 4.22Å; P77-H174 PolarHBondContact O-N 2.89Å; P77-H174 PolarHBondContact O-ND1 3.3Å
78	V	89.2	Confident	89.8	Confident	18 Å²	18	67.2 Å²	67.2	11%	0.109	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-50.5	-179.8	172.4	0	0	0	0	111.4	I59 F61 N76 F172 Y173	I59-V78 HydrophobicContact CD1-CB 3.9Å; I59-V78 HydrophobicContact CD1-CG1 3.73Å; I59-V78 HydrophobicContact CG2-CB 4.22Å; I59-V78 HydrophobicContact CG2-CG2 3.75Å; F61-V78 HydrophobicContact CE1-CG2 4.2Å; F61-V78 HydrophobicContact CZ-CG2 4.05Å; N76-V78 PolarHBondContact O-N 3.41Å; N76-V78 VanDerWaalsContact O-N 3.1Å; N76-V78 PolarHBondContact OD1-N 2.98Å; V78-F172 HydrophobicContact CB-CD1 4.26Å; V78-F172 HydrophobicContact CG1-CD1 3.56Å; V78-F172 HydrophobicContact CG1-CE1 3.74Å; V78-F172 HydrophobicContact CG1-CG 4.29Å; V78-F172 HydrophobicContact CG2-CD1 3.99Å; V78-F172 HydrophobicContact CG2-CD2 4.13Å; V78-F172 HydrophobicContact CG2-CE1 4.12Å; V78-F172 HydrophobicContact CG2-CE2 4.25Å; V78-F172 HydrophobicContact CG2-CG 3.98Å; V78-F172 HydrophobicContact CG2-CZ 4.24Å; V78-Y173 PolarHBondContact O-N 3.05Å; V78-Y173 VanDerWaalsContact O-N 3.09Å
79	T	87.8	Confident	90	Very high	52 Å²	52	65.2 Å²	65.2	32%	0.319	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-19.9	-174.6	56.8	0	0	0	0	114.7	E57 I59 N76 L81	E57-T79 WeakPolarHBondContact OE2-CG2 3.39Å; I59-T79 HydrophobicContact CD1-CG2 3.96Å; N76-T79 WeakPolarHBondContact CB-OG1 3.17Å; N76-T79 VanDerWaalsContact CG-OG1 3.32Å; N76-T79 PolarHBondContact ND2-OG1 3.41Å; T79-L81 VanDerWaalsContact C-N 3.25Å; T79-L81 PolarHBondContact O-N 2.86Å
80	G	87.2	Confident	90.3	Very high	23 Å²	23	69.2 Å²	69.2	24%	0.237	35%	0.349	C	S	.	.			trans	77.4	6.1	-175.9	0	0	0	0	0	114.5	I75 N76	I75-G80 VanDerWaalsContact CG2-CA 3.46Å; I75-G80 VanDerWaalsContact CG2-O 3.27Å; I75-G80 WeakPolarHBondContact CG2-O 3.33Å; N76-G80 WeakPolarHBondContact O-CA 3.27Å; N76-G80 PolarHBondContact O-N 3.24Å
81	L	90.8	Very high	90.5	Very high	103 Å²	103	68.9 Å²	68.9	54%	0.539	35%	0.347	S	S	.	.			trans	-85.4	147.9	177.7	-60.2	177.4	0	0	0	111.8	I75 N76 T79 M83	I75-L81 CarbonylContact C-O 3.6Å; I75-L81 WeakPolarHBondContact CA-O 3.37Å; N76-L81 PolarHBondContact N-O 2.83Å; T79-L81 VanDerWaalsContact C-N 3.25Å; T79-L81 PolarHBondContact O-N 2.86Å; L81-M83 PolarHBondContact O-N 3.36Å
82	K	91.3	Very high	90.7	Very high	192 Å²	192	64 Å²	64	84%	0.835	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-61.8	135.1	175.2	-69.9	-175.8	178.7	-179.5	0	110.6	G74	G74-K82 WeakPolarHBondContact O-CA 3.21Å
83	M	88.4	Confident	91	Very high	26 Å²	26	59.1 Å²	59.1	13%	0.128	31%	0.307	C	S	.	.			trans	-141.8	138.5	-176.2	-177.7	169.7	-75.4	0	0	111.2	T55 L70 G74 N76 L81 E87 L88	T55-M83 HydrophobicContact CG2-CE 3.5Å; T55-M83 VanDerWaalsContact CG2-CE 3.5Å; T55-M83 HydrophobicContact CG2-SD 3.62Å; L70-M83 HydrophobicContact CD2-CB 4.13Å; L70-M83 HydrophobicContact CD2-CG 4.4Å; G74-M83 PolarHBondContact O-N 3.41Å; N76-M83 HydrophobicContact CB-CB 4.34Å; N76-M83 HydrophobicContact CB-CE 3.96Å; N76-M83 HydrophobicContact CB-SD 4.23Å; N76-M83 VanDerWaalsContact ND2-CE 3.35Å; N76-M83 WeakPolarHBondContact ND2-CE 3.4Å; L81-M83 PolarHBondContact O-N 3.36Å; M83-E87 HydrophobicContact CG-CB 4.5Å; M83-L88 HydrophobicContact SD-CD2 4.4Å
84	K	89.3	Confident	91.3	Very high	144 Å²	144	58 Å²	58	63%	0.626	30%	0.302	S	S	*	.			trans	-96.9	154	174.1	-64.6	179.1	-177.4	177.1	0	110.9	S86 E87	K84-S86 PolarHBondContact O-N 3.2Å; K84-E87 HydrophobicContact CB-CG 4.48Å; K84-E87 PolarHBondContact O-N 3.09Å; K84-E87 VanDerWaalsContact O-N 3.16Å
85	M	89.4	Confident	91.5	Very high	86 Å²	86	63.8 Å²	63.8	42%	0.424	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.2	-31.4	177.3	-64.2	178.2	-173.9	0	0	113.1	L67 L70 K71 E87 L88	L67-M85 HydrophobicContact CD2-CG 4.48Å; L67-M85 HydrophobicContact CD2-SD 4.23Å; L70-M85 HydrophobicContact CB-CE 4.36Å; L70-M85 HydrophobicContact CB-CG 4.46Å; L70-M85 HydrophobicContact CD1-CG 4.17Å; K71-M85 HydrophobicContact CB-CE 4.42Å; K71-M85 HydrophobicContact CD-CE 4.28Å; K71-M85 HydrophobicContact CG-CE 3.33Å; M85-E87 PolarHBondContact O-N 3.45Å; M85-L88 PolarHBondContact O-N 2.89Å
86	S	90	Very high	91.5	Very high	106 Å²	106	64.9 Å²	64.9	74%	0.741	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-67.6	-12.1	179	57.3	0	0	0	0	114.2	K84	K84-S86 PolarHBondContact O-N 3.2Å
87	E	91.2	Very high	91.6	Very high	73 Å²	73	70 Å²	70	34%	0.341	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-89.4	-7.8	179.4	-65.1	173.1	-156.3	0	0	112.8	M83 K84 M85	M83-E87 HydrophobicContact CG-CB 4.5Å; K84-E87 HydrophobicContact CB-CG 4.48Å; K84-E87 PolarHBondContact O-N 3.09Å; K84-E87 VanDerWaalsContact O-N 3.16Å; M85-E87 PolarHBondContact O-N 3.45Å
88	L	92.8	Very high	91.7	Very high	21 Å²	21	75.5 Å²	75.5	11%	0.11	39%	0.386	C	S	.	.			trans	-77.1	132.8	175.5	-65.2	173.8	0	0	0	110.4	Y53 T55 I66 L70 M83 M85	Y53-L88 HydrophobicContact CD1-CB 3.93Å; T55-L88 HydrophobicContact CG2-CD2 4.32Å; I66-L88 HydrophobicContact CG1-CD1 4.02Å; I66-L88 HydrophobicContact CG1-CD2 4.27Å; I66-L88 HydrophobicContact CG2-CD1 3.91Å; L70-L88 HydrophobicContact CD1-CD1 3.83Å; L70-L88 HydrophobicContact CD1-CG 4.42Å; M83-L88 HydrophobicContact SD-CD2 4.4Å; M85-L88 PolarHBondContact O-N 2.89Å
89	I	94.7	Very high	91.7	Very high	23 Å²	23	76.5 Å²	76.5	12%	0.118	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124	-179.5	-60.9	157.2	0	0	0	107.9	Y53 C54 K56 K120 I156	Y53-I89 CarbonylContact C-O 3.54Å; Y53-I89 VanDerWaalsContact CA-O 3.3Å; Y53-I89 WeakPolarHBondContact CA-O 3.22Å; C54-I89 PolarHBondContact N-O 3.16Å; C54-I89 PolarHBondContact O-N 3.24Å; K56-I89 HydrophobicContact CG-CD1 4.45Å; I89-K120 HydrophobicContact CD1-CB 4.26Å; I89-K120 HydrophobicContact CD1-CD 3.74Å; I89-K120 HydrophobicContact CD1-CG 3.7Å; I89-K120 HydrophobicContact CG1-CG 4.44Å; I89-K120 WeakPolarHBondContact CG2-O 3.43Å; I89-I156 HydrophobicContact CD1-CD1 3.34Å
90	K	95.8	Very high	92	Very high	121 Å²	121	79.7 Å²	79.7	53%	0.526	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.9	176	-175.9	179.8	174.8	-176.8	0	109.6	Y53 G123	Y53-K90 HydrophobicContact CD1-CB 4.15Å; Y53-K90 HydrophobicContact CE1-CB 3.66Å; Y53-K90 HydrophobicContact CE1-CG 4.31Å; Y53-K90 HydrophobicContact CE2-CB 4.35Å; Y53-K90 HydrophobicContact CE2-CG 4.14Å; K90-G123 WeakPolarHBondContact O-CA 3.5Å
91	L	96.1	Very high	92.3	Very high	4 Å²	4	80.2 Å²	80.2	2%	0.021	41%	0.406	C	S	.	.			trans	-103.1	136.8	175	-67.2	-178.9	0	0	0	111.2	P52 C54 V60 F93 A118 G123 V125 I158	P52-L91 HydrophobicContact CB-CB 4.05Å; P52-L91 HydrophobicContact CB-CD1 4.46Å; P52-L91 HydrophobicContact CG-CB 4.11Å; P52-L91 PolarHBondContact O-N 2.85Å; C54-L91 HydrophobicContact CB-CD1 3.76Å; C54-L91 HydrophobicContact CB-CD2 4.35Å; C54-L91 HydrophobicContact CB-CG 4.04Å; C54-L91 VanDerWaalsContact SG-CD2 3.52Å; V60-L91 HydrophobicContact CG1-CD1 4.37Å; V60-L91 HydrophobicContact CG2-CD1 4.05Å; L91-F93 HydrophobicContact CB-CD2 4.24Å; L91-F93 HydrophobicContact CB-CE2 4.04Å; L91-F93 HydrophobicContact CD1-CE2 3.88Å; L91-F93 HydrophobicContact CD1-CZ 4.42Å; L91-A118 HydrophobicContact CD2-CB 3.43Å; L91-A118 VanDerWaalsContact CD2-CB 3.43Å; L91-G123 CarbonylContact C-O 3.41Å; L91-G123 WeakPolarHBondContact CA-O 3.26Å; L91-V125 HydrophobicContact CB-CG2 4.23Å; L91-V125 HydrophobicContact CD2-CG2 4.11Å; L91-I158 HydrophobicContact CD1-CD1 3.63Å; L91-I158 HydrophobicContact CD1-CG1 4.47Å; L91-I158 HydrophobicContact CD2-CD1 4.09Å
92	N	95	Very high	92.5	Very high	56 Å²	56	75.9 Å²	75.9	30%	0.299	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-111.7	100.3	175.2	-59.9	-32	0	0	0	109.1	T122 G123 N124 V125	N92-T122 PolarHBondContact ND2-O 3.08Å; N92-T122 VanDerWaalsContact ND2-O 3.09Å; N92-G123 PolarHBondContact N-O 3.33Å; N92-N124 WeakPolarHBondContact CB-OD1 3.46Å; N92-N124 PolarHBondContact ND2-OD1 3.37Å; N92-V125 PolarHBondContact O-N 2.94Å
93	F	94.9	Very high	92.7	Very high	31 Å²	31	66.8 Å²	66.8	14%	0.136	34%	0.343	C	S	.	.			trans	-91.5	136.5	174	-77.9	-91.6	0	0	0	111.2	F39 F49 P52 L91 F101 F110 V125 I158	F39-F93 HydrophobicContact CD2-CE1 4.32Å; F39-F93 HydrophobicContact CE2-CE1 4.42Å; F49-F93 HydrophobicContact CE1-CE2 4.21Å; F49-F93 AromaticContact CE2-CD2 3.99Å; F49-F93 HydrophobicContact CE2-CD2 3.99Å; F49-F93 HydrophobicContact CE2-CE2 4.06Å; F49-F93 AromaticContact CZ-CD2 3.81Å; F49-F93 HydrophobicContact CZ-CD2 3.81Å; F49-F93 AromaticContact CZ-CE2 3.45Å; F49-F93 HydrophobicContact CZ-CE2 3.45Å; F49-F93 VanDerWaalsContact CZ-CE2 3.45Å; F49-F93 AromaticContact CZ-CZ 3.9Å; F49-F93 HydrophobicContact CZ-CZ 3.9Å; P52-F93 HydrophobicContact CB-CD2 4.33Å; P52-F93 HydrophobicContact CB-CE2 4.15Å; P52-F93 HydrophobicContact CG-CD2 3.85Å; P52-F93 HydrophobicContact CG-CE2 4.18Å; L91-F93 HydrophobicContact CB-CD2 4.24Å; L91-F93 HydrophobicContact CB-CE2 4.04Å; L91-F93 HydrophobicContact CD1-CE2 3.88Å; L91-F93 HydrophobicContact CD1-CZ 4.42Å; F93-F101 HydrophobicContact CB-CD1 3.55Å; F93-F101 HydrophobicContact CB-CE1 3.58Å; F93-F101 HydrophobicContact CD1-CB 4.47Å; F93-F101 HydrophobicContact CD1-CD1 4.12Å; F93-F101 HydrophobicContact CD1-CG 4.32Å; F93-F101 HydrophobicContact CG-CD1 4.1Å; F93-F101 HydrophobicContact CG-CE1 4.16Å; F93-F110 HydrophobicContact CD1-CD2 4.49Å; F93-F110 HydrophobicContact CD1-CE2 4.39Å; F93-V125 HydrophobicContact CD1-CB 4.08Å; F93-V125 HydrophobicContact CD1-CG1 3.98Å; F93-V125 HydrophobicContact CD1-CG2 4.15Å; F93-V125 HydrophobicContact CD2-CG2 4.06Å; F93-V125 HydrophobicContact CE1-CB 4.16Å; F93-V125 HydrophobicContact CE1-CG1 3.64Å; F93-V125 HydrophobicContact CE1-CG2 4.1Å; F93-V125 HydrophobicContact CE2-CG2 4Å; F93-V125 HydrophobicContact CG-CB 4.42Å; F93-V125 HydrophobicContact CG-CG2 4.14Å; F93-V125 HydrophobicContact CZ-CG1 4.16Å; F93-V125 HydrophobicContact CZ-CG2 4.02Å; F93-I158 HydrophobicContact CZ-CD1 4.33Å
94	H	94	Very high	93	Very high	69 Å²	69	66.4 Å²	66.4	32%	0.319	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.1	174.1	-69.4	-98.2	0	0	0	111.4	F101 H102 P104 L145	H94-F101 WeakPolarHBondContact O-CA 3.49Å; H94-H102 PolarHBondContact O-N 3.03Å; H94-H102 PolarHBondContact O-ND1 3.43Å; H94-P104 HydrophobicContact CB-CB 4.2Å; H94-P104 HydrophobicContact CB-CG 4.5Å; H94-L145 WeakPolarHBondContact NE2-CD1 3.15Å
95	R	93.6	Very high	93.1	Very high	150 Å²	150	61.8 Å²	61.8	57%	0.566	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.4	177	-66.6	-177.8	-177.6	-170.5	5.2	110.4	G99 K100 F101 H102	R95-G99 WeakPolarHBondContact CD-O 3.31Å; R95-K100 CarbonylContact C-O 3.56Å; R95-K100 VanDerWaalsContact CA-O 3.3Å; R95-K100 WeakPolarHBondContact CA-O 3.49Å; R95-F101 HydrophobicContact CG-CD1 3.65Å; R95-F101 HydrophobicContact CG-CE1 3.8Å; R95-F101 VanDerWaalsContact NE-CE1 3.29Å; R95-H102 PolarHBondContact O-CE1 3.01Å; R95-H102 VanDerWaalsContact O-CE1 3.28Å
96	N	91.8	Very high	93.3	Very high	64 Å²	64	59.6 Å²	59.6	34%	0.342	32%	0.318	S	S	.	.			trans	-81.4	178.2	176.1	-153.5	4.5	0	0	0	110.1	D98 G99 K100 H102	N96-D98 PolarHBondContact O-N 2.7Å; N96-D98 VanDerWaalsContact O-N 3.08Å; N96-G99 PolarHBondContact O-N 3.06Å; N96-K100 PolarHBondContact N-O 3.06Å; N96-H102 PolarHBondContact N-CE1 3.43Å; N96-H102 PolarHBondContact N-ND1 3.24Å
97	S	92.1	Very high	93.4	Very high	108 Å²	108	61.2 Å²	61.2	76%	0.755	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.8	174.3	54.7	0	0	0	0	113.5	G99	S97-G99 PolarHBondContact O-N 2.95Å
98	D	90.4	Very high	93.5	Very high	115 Å²	115	62.9 Å²	62.9	62%	0.615	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	5.5	-179	-54.9	-9.7	0	0	0	113.5	N96 K100	N96-D98 PolarHBondContact O-N 2.7Å; N96-D98 VanDerWaalsContact O-N 3.08Å; D98-K100 PolarHBondContact O-N 3.3Å
99	G	90.3	Very high	93.6	Very high	40 Å²	40	64.4 Å²	64.4	41%	0.412	33%	0.328	S	S	.	.	S	Bend	trans	75.7	1.2	-177.5	0	0	0	0	0	115.5	R95 N96 S97	R95-G99 WeakPolarHBondContact CD-O 3.31Å; N96-G99 PolarHBondContact O-N 3.06Å; S97-G99 PolarHBondContact O-N 2.95Å
100	K	92.5	Very high	93.6	Very high	119 Å²	119	63.9 Å²	63.9	52%	0.517	33%	0.325	S	S	.	.			trans	-82.6	142.3	178.4	-62.2	177.2	-175.5	166.4	0	111.9	R95 N96 D98 H102 V109	R95-K100 CarbonylContact C-O 3.56Å; R95-K100 VanDerWaalsContact CA-O 3.3Å; R95-K100 WeakPolarHBondContact CA-O 3.49Å; N96-K100 PolarHBondContact N-O 3.06Å; D98-K100 PolarHBondContact O-N 3.3Å; K100-H102 PolarHBondContact O-N 2.94Å; K100-V109 HydrophobicContact CB-CG1 3.96Å; K100-V109 HydrophobicContact CD-CG1 4.2Å
101	F	94.4	Very high	93.4	Very high	33 Å²	33	62.8 Å²	62.8	15%	0.145	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.5	175.2	-62.3	-65.4	0	0	0	111.3	F39 H40 F49 F93 H94 R95 F110	F39-F101 HydrophobicContact CE2-CB 4.42Å; F39-F101 HydrophobicContact CE2-CD2 4.12Å; H40-F101 HydrophobicContact CB-CD2 4.39Å; H40-F101 HydrophobicContact CB-CE2 4.01Å; F49-F101 HydrophobicContact CE2-CZ 4.01Å; F49-F101 HydrophobicContact CZ-CZ 4.45Å; F93-F101 HydrophobicContact CB-CD1 3.55Å; F93-F101 HydrophobicContact CB-CE1 3.58Å; F93-F101 HydrophobicContact CD1-CB 4.47Å; F93-F101 HydrophobicContact CD1-CD1 4.12Å; F93-F101 HydrophobicContact CD1-CG 4.32Å; F93-F101 HydrophobicContact CG-CD1 4.1Å; F93-F101 HydrophobicContact CG-CE1 4.16Å; H94-F101 WeakPolarHBondContact O-CA 3.49Å; R95-F101 HydrophobicContact CG-CD1 3.65Å; R95-F101 HydrophobicContact CG-CE1 3.8Å; R95-F101 VanDerWaalsContact NE-CE1 3.29Å; F101-F110 HydrophobicContact CB-CD2 3.91Å; F101-F110 PolarHBondContact O-N 2.78Å
102	H	94.7	Very high	92.9	Very high	13 Å²	13	67.9 Å²	67.9	6%	0.06	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	160	179.9	74.9	-77.5	0	0	0	111.3	H94 R95 N96 K100 F107 K108 V109 F110	H94-H102 PolarHBondContact O-N 3.03Å; H94-H102 PolarHBondContact O-ND1 3.43Å; R95-H102 PolarHBondContact O-CE1 3.01Å; R95-H102 VanDerWaalsContact O-CE1 3.28Å; N96-H102 PolarHBondContact N-CE1 3.43Å; N96-H102 PolarHBondContact N-ND1 3.24Å; K100-H102 PolarHBondContact O-N 2.94Å; H102-F107 AromaticContact CD2-CD1 3.96Å; H102-F107 AromaticContact NE2-CD1 3.85Å; H102-K108 WeakPolarHBondContact CA-O 3.41Å; H102-K108 WeakPolarHBondContact CB-O 3.43Å; H102-V109 HydrophobicContact CB-CG2 4.46Å; H102-F110 VanDerWaalsContact C-CE2 3.48Å; H102-F110 WeakPolarHBondContact O-CE2 3.33Å
103	C	95.3	Very high	92.7	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.365	C	S	.	.			trans	-75.5	120.2	172	176.8	0	0	0	0	109.6	V105 T106 F107 K108 F110 S127	C103-V105 PolarHBondContact O-N 3.01Å; C103-V105 VanDerWaalsContact O-N 3.09Å; C103-T106 VanDerWaalsContact CB-OG1 3.27Å; C103-T106 WeakPolarHBondContact CB-OG1 3.46Å; C103-T106 PolarHBondContact O-N 3.38Å; C103-T106 PolarHBondContact SG-OG1 3.05Å; C103-F107 VanDerWaalsContact O-CA 3.31Å; C103-F107 WeakPolarHBondContact O-CA 3.47Å; C103-F107 PolarHBondContact O-N 3.05Å; C103-K108 PolarHBondContact N-O 3.19Å; C103-F110 HydrophobicContact CB-CE1 3.72Å; C103-F110 HydrophobicContact CB-CZ 3.7Å; C103-S127 PolarHBondContact SG-N 2.97Å
104	P	94.4	Very high	92.5	Very high	18 Å²	18	71.2 Å²	71.2	12%	0.117	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.3	-173.1	26	-35.8	0	0	0	114	H94 F107 V125 Y126 L145	H94-P104 HydrophobicContact CB-CB 4.2Å; H94-P104 HydrophobicContact CB-CG 4.5Å; P104-F107 WeakPolarHBondContact O-CZ 3.41Å; P104-V125 WeakPolarHBondContact CD-O 3.41Å; P104-Y126 HydrophobicContact CG-CD1 3.91Å; P104-Y126 HydrophobicContact CG-CE1 3.67Å; P104-L145 HydrophobicContact CB-CD1 4.26Å; P104-L145 HydrophobicContact CB-CD2 4.3Å; P104-L145 HydrophobicContact CG-CD1 3.83Å; P104-L145 HydrophobicContact CG-CD2 4.49Å; P104-L145 HydrophobicContact CG-CG 4.42Å
105	V	92.8	Very high	92.5	Very high	47 Å²	47	69.9 Å²	69.9	29%	0.285	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-40.4	-179.2	-177.3	0	0	0	0	112.3	C103 Y126 L134 L144	C103-V105 PolarHBondContact O-N 3.01Å; C103-V105 VanDerWaalsContact O-N 3.09Å; V105-Y126 HydrophobicContact CG2-CD1 3.96Å; V105-Y126 HydrophobicContact CG2-CE1 3.81Å; V105-L134 HydrophobicContact CG1-CD1 3.47Å; V105-L134 VanDerWaalsContact CG1-CD1 3.47Å; V105-L144 HydrophobicContact CG2-CB 3.75Å; V105-L144 HydrophobicContact CG2-CD1 3.97Å; V105-L144 HydrophobicContact CG2-CG 4.49Å
106	T	92.2	Very high	92.7	Very high	40 Å²	40	62.8 Å²	62.8	25%	0.245	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.6	-176.5	56.6	0	0	0	0	113.3	C103 K108 S127 A130	C103-T106 VanDerWaalsContact CB-OG1 3.27Å; C103-T106 WeakPolarHBondContact CB-OG1 3.46Å; C103-T106 PolarHBondContact O-N 3.38Å; C103-T106 PolarHBondContact SG-OG1 3.05Å; T106-K108 PolarHBondContact O-N 3.43Å; T106-S127 PolarHBondContact OG1-OG 2.82Å; T106-A130 HydrophobicContact CG2-CB 3.71Å
107	F	92.1	Very high	92.9	Very high	140 Å²	140	59.7 Å²	59.7	61%	0.614	32%	0.32	S	S	*	.			trans	54.8	11.8	-173.5	-59.2	-77.5	0	0	0	115.2	H102 C103 P104	H102-F107 AromaticContact CD2-CD1 3.96Å; H102-F107 AromaticContact NE2-CD1 3.85Å; C103-F107 VanDerWaalsContact O-CA 3.31Å; C103-F107 WeakPolarHBondContact O-CA 3.47Å; C103-F107 PolarHBondContact O-N 3.05Å; P104-F107 WeakPolarHBondContact O-CZ 3.41Å
108	K	93.3	Very high	93.1	Very high	108 Å²	108	54.6 Å²	54.6	47%	0.47	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-76.1	127.3	175.8	-68.3	-179.4	-178.4	176.4	0	109.8	H102 C103 T106 D129	H102-K108 WeakPolarHBondContact CA-O 3.41Å; H102-K108 WeakPolarHBondContact CB-O 3.43Å; C103-K108 PolarHBondContact N-O 3.19Å; T106-K108 PolarHBondContact O-N 3.43Å; K108-D129 IonicContact NZ-OD2 3.88Å; K108-D129 PolarHBondContact NZ-OD2 2.85Å; K108-D129 VanDerWaalsContact NZ-OD2 3.11Å
109	V	95	Very high	93.3	Very high	53 Å²	53	49.2 Å²	49.2	32%	0.321	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-67.1	136.4	174.2	-179.6	0	0	0	0	109.7	K100 H102	K100-V109 HydrophobicContact CB-CG1 3.96Å; K100-V109 HydrophobicContact CD-CG1 4.2Å; H102-V109 HydrophobicContact CB-CG2 4.46Å
110	F	94.5	Very high	93.5	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.053	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-77.1	128.8	175.8	-63.2	-45.2	0	0	0	110.6	F39 F93 F101 H102 C103 T114 I116 V125	F39-F110 HydrophobicContact CE1-CB 4.27Å; F39-F110 HydrophobicContact CE2-CB 4.08Å; F39-F110 HydrophobicContact CZ-CB 3.66Å; F93-F110 HydrophobicContact CD1-CD2 4.49Å; F93-F110 HydrophobicContact CD1-CE2 4.39Å; F101-F110 HydrophobicContact CB-CD2 3.91Å; F101-F110 PolarHBondContact O-N 2.78Å; H102-F110 VanDerWaalsContact C-CE2 3.48Å; H102-F110 WeakPolarHBondContact O-CE2 3.33Å; C103-F110 HydrophobicContact CB-CE1 3.72Å; C103-F110 HydrophobicContact CB-CZ 3.7Å; F110-T114 WeakPolarHBondContact CA-OG1 3.4Å; F110-I116 HydrophobicContact CB-CD1 3.92Å; F110-I116 HydrophobicContact CD1-CD1 4.2Å; F110-I116 HydrophobicContact CD1-CG1 3.88Å; F110-I116 HydrophobicContact CE1-CG1 4.27Å; F110-I116 HydrophobicContact CG-CD1 3.99Å; F110-I116 HydrophobicContact CG-CG1 4.19Å; F110-I116 HydrophobicContact CZ-CG2 4.5Å; F110-V125 HydrophobicContact CE2-CG1 4.13Å; F110-V125 HydrophobicContact CZ-CG1 4.25Å
111	N	91.2	Very high	93.5	Very high	98 Å²	98	48 Å²	48	52%	0.524	25%	0.245	S	C	.	.			trans	-119.8	174.3	177.6	-63.4	-8.4	0	0	0	109.4	N113 T114 Q159	N111-N113 PolarHBondContact O-N 2.71Å; N111-T114 HydrophobicContact CB-CG2 4.15Å; N111-T114 PolarHBondContact N-OG1 3.32Å; N111-T114 PolarHBondContact O-N 3.37Å; N111-T114 VanDerWaalsContact O-N 3.13Å; N111-T114 PolarHBondContact O-OG1 2.98Å; N111-Q159 PolarHBondContact O-NE2 2.61Å
112	E	87.1	Confident	93.5	Very high	112 Å²	112	47.3 Å²	47.3	52%	0.523	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18	175.4	-62.9	180	179.4	0	0	113.1	R36 Q159	R36-E112 PolarHBondContact NH1-O 2.98Å; R36-E112 PolarHBondContact NH2-O 3.39Å; E112-Q159 VanDerWaalsContact C-NE2 3.26Å; E112-Q159 PolarHBondContact O-NE2 3.29Å
113	N	89.4	Confident	93.5	Very high	121 Å²	121	46.7 Å²	46.7	65%	0.647	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	4.9	-179.7	-62.5	-13.3	0	0	0	113.6	N111	N111-N113 PolarHBondContact O-N 2.71Å
114	T	92.3	Very high	93.5	Very high	35 Å²	35	47 Å²	47	22%	0.215	24%	0.242	C	C	.	.	S	Bend	trans	-80	138.5	177.9	51.4	0	0	0	0	111.1	F110 N111 I116 Q159	F110-T114 WeakPolarHBondContact CA-OG1 3.4Å; N111-T114 HydrophobicContact CB-CG2 4.15Å; N111-T114 PolarHBondContact N-OG1 3.32Å; N111-T114 PolarHBondContact O-N 3.37Å; N111-T114 VanDerWaalsContact O-N 3.13Å; N111-T114 PolarHBondContact O-OG1 2.98Å; T114-I116 PolarHBondContact O-N 3.04Å; T114-Q159 PolarHBondContact O-NE2 3.19Å
115	H	94.4	Very high	93.6	Very high	42 Å²	42	46.1 Å²	46.1	19%	0.194	24%	0.237	C	C	.	.			trans	-78.8	112.3	172.2	-167.8	177.3	0	0	0	109.3	S127 F128 T157 Q159 D160	H115-S127 WeakPolarHBondContact O-CA 3.28Å; H115-F128 HydrophobicContact CB-CB 3.81Å; H115-F128 AromaticContact CE1-CD1 3.83Å; H115-F128 AromaticContact CE1-CD2 3.7Å; H115-F128 AromaticContact CE1-CG 3.52Å; H115-F128 VanDerWaalsContact CG-CB 3.43Å; H115-F128 AromaticContact CG-CG 3.92Å; H115-F128 WeakPolarHBondContact ND1-CB 3.5Å; H115-F128 AromaticContact ND1-CD1 3.46Å; H115-F128 WeakPolarHBondContact ND1-CD1 3.31Å; H115-F128 AromaticContact ND1-CG 3.37Å; H115-F128 WeakPolarHBondContact ND1-CG 3.49Å; H115-F128 PolarHBondContact O-N 3.11Å; H115-T157 VanDerWaalsContact NE2-CG2 3.29Å; H115-T157 WeakPolarHBondContact NE2-CG2 3.48Å; H115-Q159 CarbonylContact C-O 3.31Å; H115-Q159 VanDerWaalsContact CA-O 3.26Å; H115-Q159 WeakPolarHBondContact CA-O 3.33Å; H115-Q159 PolarHBondContact CD2-O 3.07Å; H115-D160 IonicContact CE1-OD2 2.69Å; H115-D160 IonicContact NE2-OD2 3.52Å
116	I	96.1	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.7	-171.6	-54.4	170.6	0	0	0	110.1	F39 F110 T114 V125 I158 Q159	F39-I116 HydrophobicContact CB-CD1 4.18Å; F39-I116 HydrophobicContact CD1-CD1 3.99Å; F39-I116 HydrophobicContact CD2-CD1 3.76Å; F39-I116 HydrophobicContact CE1-CD1 4.34Å; F39-I116 HydrophobicContact CE2-CD1 4.13Å; F39-I116 HydrophobicContact CG-CD1 3.69Å; F39-I116 HydrophobicContact CZ-CD1 4.4Å; F110-I116 HydrophobicContact CB-CD1 3.92Å; F110-I116 HydrophobicContact CD1-CD1 4.2Å; F110-I116 HydrophobicContact CD1-CG1 3.88Å; F110-I116 HydrophobicContact CE1-CG1 4.27Å; F110-I116 HydrophobicContact CG-CD1 3.99Å; F110-I116 HydrophobicContact CG-CG1 4.19Å; F110-I116 HydrophobicContact CZ-CG2 4.5Å; T114-I116 PolarHBondContact O-N 3.04Å; I116-V125 HydrophobicContact CG2-CG1 3.3Å; I116-I158 HydrophobicContact CB-CB 4.44Å; I116-I158 HydrophobicContact CG2-CB 4.27Å; I116-I158 HydrophobicContact CG2-CD1 4.36Å; I116-I158 PolarHBondContact O-N 3.11Å; I116-Q159 HydrophobicContact CB-CB 4.13Å; I116-Q159 HydrophobicContact CD1-CB 4.22Å; I116-Q159 HydrophobicContact CG1-CB 4.29Å; I116-Q159 PolarHBondContact N-O 3.25Å; I116-Q159 PolarHBondContact O-N 3.14Å; I116-Q159 VanDerWaalsContact O-N 3.12Å
117	V	96	Very high	94	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.1	-172.2	-179.4	0	0	0	0	110.1	V125 Y126 F128 I155 I156	V117-V125 CarbonylContact O-C 3.58Å; V117-V125 WeakPolarHBondContact O-CA 3.23Å; V117-Y126 PolarHBondContact N-O 3.39Å; V117-Y126 PolarHBondContact O-N 2.64Å; V117-F128 HydrophobicContact CG2-CB 3.71Å; V117-F128 HydrophobicContact CG2-CD2 3.79Å; V117-F128 HydrophobicContact CG2-CG 4.23Å; V117-I155 HydrophobicContact CG1-CB 4.47Å; V117-I155 HydrophobicContact CG1-CG2 3.21Å; V117-I156 CarbonylContact C-O 3.54Å; V117-I156 VanDerWaalsContact CA-O 3.29Å; V117-I156 WeakPolarHBondContact CA-O 3.31Å; V117-I156 WeakPolarHBondContact CG1-O 3.32Å
118	A	96.4	Very high	94.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.3	171.3	0	0	0	0	0	111.6	L91 N124 V125 I156 I158	L91-A118 HydrophobicContact CD2-CB 3.43Å; L91-A118 VanDerWaalsContact CD2-CB 3.43Å; A118-N124 WeakPolarHBondContact CA-O 3.49Å; A118-V125 HydrophobicContact CB-CG2 4.24Å; A118-I156 PolarHBondContact N-O 3.12Å; A118-I156 PolarHBondContact O-N 3.03Å; A118-I158 HydrophobicContact CB-CD1 3.82Å; A118-I158 HydrophobicContact CB-CG1 4.44Å
119	I	96	Very high	94.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.9	172.7	-63.6	-176.9	0	0	0	108.2	T122 G123 N124 Y126 D143 F150	I119-T122 PolarHBondContact O-N 3.15Å; I119-G123 VanDerWaalsContact O-CA 3.32Å; I119-G123 WeakPolarHBondContact O-CA 3.31Å; I119-G123 PolarHBondContact O-N 3.15Å; I119-N124 PolarHBondContact N-O 2.99Å; I119-N124 VanDerWaalsContact N-O 3.1Å; I119-Y126 HydrophobicContact CD1-CD2 3.99Å; I119-Y126 HydrophobicContact CD1-CE2 3.68Å; I119-Y126 HydrophobicContact CG1-CD2 4.15Å; I119-Y126 HydrophobicContact CG1-CE2 4.08Å; I119-D143 HydrophobicContact CD1-CB 4.37Å; I119-D143 WeakPolarHBondContact CD1-OD1 3.29Å; I119-F150 HydrophobicContact CD1-CD1 4.1Å; I119-F150 HydrophobicContact CD1-CE1 3.67Å; I119-F150 HydrophobicContact CD1-CE2 4.37Å; I119-F150 HydrophobicContact CD1-CZ 3.83Å; I119-F150 HydrophobicContact CG2-CB 3.86Å; I119-F150 HydrophobicContact CG2-CD1 3.9Å; I119-F150 HydrophobicContact CG2-CD2 4.2Å; I119-F150 HydrophobicContact CG2-CG 3.74Å
120	K	93.8	Very high	94.1	Very high	73 Å²	73	32.7 Å²	32.7	32%	0.317	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-44.4	-170.1	163.5	164.2	155.1	-104.3	0	115.5	I89 D154 I156	I89-K120 HydrophobicContact CD1-CB 4.26Å; I89-K120 HydrophobicContact CD1-CD 3.74Å; I89-K120 HydrophobicContact CD1-CG 3.7Å; I89-K120 HydrophobicContact CG1-CG 4.44Å; I89-K120 WeakPolarHBondContact CG2-O 3.43Å; K120-D154 HydrophobicContact CB-CB 3.97Å; K120-D154 VanDerWaalsContact CB-O 3.25Å; K120-D154 WeakPolarHBondContact CB-O 3.46Å; K120-D154 PolarHBondContact N-O 2.97Å; K120-D154 IonicContact NZ-OD1 3.8Å; K120-D154 PolarHBondContact NZ-OD1 3.3Å; K120-I156 HydrophobicContact CB-CD1 3.82Å; K120-I156 HydrophobicContact CB-CG1 4.32Å; K120-I156 HydrophobicContact CD-CD1 4.28Å; K120-I156 HydrophobicContact CG-CD1 4.4Å
121	P	92.9	Very high	94.1	Very high	61 Å²	61	32.1 Å²	32.1	40%	0.396	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-48	177.8	-29.9	34.2	0	0	0	114.3	F150	P121-F150 HydrophobicContact CG-CB 3.99Å
122	T	93.9	Very high	94.2	Very high	18 Å²	18	30.8 Å²	30.8	11%	0.11	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-22.8	-173.5	56	0	0	0	0	113.8	N92 I119 N124 D143 N146 E148	N92-T122 PolarHBondContact ND2-O 3.08Å; N92-T122 VanDerWaalsContact ND2-O 3.09Å; I119-T122 PolarHBondContact O-N 3.15Å; T122-N124 PolarHBondContact O-N 3.39Å; T122-N124 PolarHBondContact OG1-N 3.01Å; T122-N124 PolarHBondContact OG1-ND2 3.2Å; T122-D143 WeakPolarHBondContact CB-OD2 3.38Å; T122-D143 HydrophobicContact CG2-CB 4.18Å; T122-D143 WeakPolarHBondContact CG2-OD2 2.98Å; T122-D143 PolarHBondContact OG1-OD2 3.28Å; T122-N146 HydrophobicContact CG2-CB 4.36Å; T122-E148 HydrophobicContact CG2-CB 3.93Å; T122-E148 HydrophobicContact CG2-CG 4.08Å; T122-E148 WeakPolarHBondContact CG2-OE2 3.04Å
123	G	94.3	Very high	94.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	16%	0.157	C	C	.	.			trans	75.4	3.2	-172.4	0	0	0	0	0	114.2	K90 L91 N92 I119	K90-G123 WeakPolarHBondContact O-CA 3.5Å; L91-G123 CarbonylContact C-O 3.41Å; L91-G123 WeakPolarHBondContact CA-O 3.26Å; N92-G123 PolarHBondContact N-O 3.33Å; I119-G123 VanDerWaalsContact O-CA 3.32Å; I119-G123 WeakPolarHBondContact O-CA 3.31Å; I119-G123 PolarHBondContact O-N 3.15Å
124	N	96	Very high	94.7	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.032	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-70.9	134.8	-175.3	-68.2	-25	0	0	0	111.3	N92 A118 I119 T122 Y126 D143	N92-N124 WeakPolarHBondContact CB-OD1 3.46Å; N92-N124 PolarHBondContact ND2-OD1 3.37Å; A118-N124 WeakPolarHBondContact CA-O 3.49Å; I119-N124 PolarHBondContact N-O 2.99Å; I119-N124 VanDerWaalsContact N-O 3.1Å; T122-N124 PolarHBondContact O-N 3.39Å; T122-N124 PolarHBondContact OG1-N 3.01Å; T122-N124 PolarHBondContact OG1-ND2 3.2Å; N124-Y126 HydrophobicContact CB-CE2 3.63Å; N124-Y126 WeakPolarHBondContact CB-OH 3.43Å; N124-D143 PolarHBondContact ND2-OD2 3.38Å
125	V	96.5	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.7	-175	-174.9	0	0	0	0	111.7	L91 N92 F93 P104 F110 I116 V117 A118 I158	L91-V125 HydrophobicContact CB-CG2 4.23Å; L91-V125 HydrophobicContact CD2-CG2 4.11Å; N92-V125 PolarHBondContact O-N 2.94Å; F93-V125 HydrophobicContact CD1-CB 4.08Å; F93-V125 HydrophobicContact CD1-CG1 3.98Å; F93-V125 HydrophobicContact CD1-CG2 4.15Å; F93-V125 HydrophobicContact CD2-CG2 4.06Å; F93-V125 HydrophobicContact CE1-CB 4.16Å; F93-V125 HydrophobicContact CE1-CG1 3.64Å; F93-V125 HydrophobicContact CE1-CG2 4.1Å; F93-V125 HydrophobicContact CE2-CG2 4Å; F93-V125 HydrophobicContact CG-CB 4.42Å; F93-V125 HydrophobicContact CG-CG2 4.14Å; F93-V125 HydrophobicContact CZ-CG1 4.16Å; F93-V125 HydrophobicContact CZ-CG2 4.02Å; P104-V125 WeakPolarHBondContact CD-O 3.41Å; F110-V125 HydrophobicContact CE2-CG1 4.13Å; F110-V125 HydrophobicContact CZ-CG1 4.25Å; I116-V125 HydrophobicContact CG2-CG1 3.3Å; V117-V125 CarbonylContact O-C 3.58Å; V117-V125 WeakPolarHBondContact O-CA 3.23Å; A118-V125 HydrophobicContact CB-CG2 4.24Å; V125-I158 HydrophobicContact CG1-CD1 4.2Å; V125-I158 HydrophobicContact CG2-CD1 4.13Å
126	Y	96.8	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	165.3	-178.6	-56.2	-75.3	0	0	0	112.1	P104 V105 V117 I119 N124 V131 D143 L144 L145	P104-Y126 HydrophobicContact CG-CD1 3.91Å; P104-Y126 HydrophobicContact CG-CE1 3.67Å; V105-Y126 HydrophobicContact CG2-CD1 3.96Å; V105-Y126 HydrophobicContact CG2-CE1 3.81Å; V117-Y126 PolarHBondContact N-O 3.39Å; V117-Y126 PolarHBondContact O-N 2.64Å; I119-Y126 HydrophobicContact CD1-CD2 3.99Å; I119-Y126 HydrophobicContact CD1-CE2 3.68Å; I119-Y126 HydrophobicContact CG1-CD2 4.15Å; I119-Y126 HydrophobicContact CG1-CE2 4.08Å; N124-Y126 HydrophobicContact CB-CE2 3.63Å; N124-Y126 WeakPolarHBondContact CB-OH 3.43Å; Y126-V131 HydrophobicContact CD2-CG2 4.25Å; Y126-V131 HydrophobicContact CG-CG2 4.27Å; Y126-D143 WeakPolarHBondContact CE2-OD1 3.32Å; Y126-D143 PolarHBondContact OH-OD1 3.1Å; Y126-L144 HydrophobicContact CD1-CD1 4.24Å; Y126-L144 HydrophobicContact CE1-CB 4.03Å; Y126-L144 HydrophobicContact CE1-CD1 4.4Å; Y126-L144 HydrophobicContact CG-CD1 4.44Å; Y126-L145 HydrophobicContact CE1-CD1 4.11Å; Y126-L145 HydrophobicContact CE1-CG 4.04Å; Y126-L145 WeakPolarHBondContact OH-CB 3.41Å; Y126-L145 WeakPolarHBondContact OH-CD1 3.38Å; Y126-L145 WeakPolarHBondContact OH-CG 3.42Å; Y126-L145 PolarHBondContact OH-N 3.47Å
127	S	96	Very high	94.4	Very high	11 Å²	11	35.4 Å²	35.4	8%	0.077	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.8	161.6	64.7	0	0	0	0	109.2	C103 T106 H115 D129 A130 V131	C103-S127 PolarHBondContact SG-N 2.97Å; T106-S127 PolarHBondContact OG1-OG 2.82Å; H115-S127 WeakPolarHBondContact O-CA 3.28Å; S127-D129 PolarHBondContact O-N 3.05Å; S127-A130 WeakPolarHBondContact O-CB 3.46Å; S127-A130 PolarHBondContact O-N 2.85Å; S127-A130 PolarHBondContact OG-N 2.91Å; S127-V131 PolarHBondContact O-N 2.85Å
128	F	95.3	Very high	94.2	Very high	53 Å²	53	38.4 Å²	38.4	23%	0.232	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-32.9	175	-178.8	-99.5	0	0	0	111.4	H115 V117 A130 V131 Q132 L136	H115-F128 HydrophobicContact CB-CB 3.81Å; H115-F128 AromaticContact CE1-CD1 3.83Å; H115-F128 AromaticContact CE1-CD2 3.7Å; H115-F128 AromaticContact CE1-CG 3.52Å; H115-F128 VanDerWaalsContact CG-CB 3.43Å; H115-F128 AromaticContact CG-CG 3.92Å; H115-F128 WeakPolarHBondContact ND1-CB 3.5Å; H115-F128 AromaticContact ND1-CD1 3.46Å; H115-F128 WeakPolarHBondContact ND1-CD1 3.31Å; H115-F128 AromaticContact ND1-CG 3.37Å; H115-F128 WeakPolarHBondContact ND1-CG 3.49Å; H115-F128 PolarHBondContact O-N 3.11Å; V117-F128 HydrophobicContact CG2-CB 3.71Å; V117-F128 HydrophobicContact CG2-CD2 3.79Å; V117-F128 HydrophobicContact CG2-CG 4.23Å; F128-A130 VanDerWaalsContact C-N 3.27Å; F128-A130 PolarHBondContact O-N 3.49Å; F128-V131 PolarHBondContact O-N 3.12Å; F128-Q132 HydrophobicContact CD1-CB 4.25Å; F128-Q132 HydrophobicContact CE1-CB 4.05Å; F128-Q132 HydrophobicContact CE1-CG 4.17Å; F128-Q132 HydrophobicContact CZ-CB 4.42Å; F128-Q132 HydrophobicContact CZ-CG 4.49Å; F128-Q132 WeakPolarHBondContact O-CB 3.16Å; F128-Q132 PolarHBondContact O-N 2.77Å; F128-L136 HydrophobicContact CE2-CD1 4.36Å; F128-L136 HydrophobicContact CZ-CD1 4.42Å
129	D	94.3	Very high	93.9	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.214	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-39.5	174.8	-170.9	43.3	0	0	0	112.2	K108 S127 R133	K108-D129 IonicContact NZ-OD2 3.88Å; K108-D129 PolarHBondContact NZ-OD2 2.85Å; K108-D129 VanDerWaalsContact NZ-OD2 3.11Å; S127-D129 PolarHBondContact O-N 3.05Å; D129-R133 VanDerWaalsContact CG-NH2 3.31Å; D129-R133 WeakPolarHBondContact O-CB 3.27Å; D129-R133 VanDerWaalsContact O-CG 3.32Å; D129-R133 WeakPolarHBondContact O-CG 2.84Å; D129-R133 PolarHBondContact O-N 3.21Å; D129-R133 IonicContact OD1-CZ 3.24Å; D129-R133 IonicContact OD1-NE 2.68Å; D129-R133 PolarHBondContact OD1-NE 3.19Å; D129-R133 IonicContact OD1-NH1 3.14Å; D129-R133 PolarHBondContact OD1-NH1 3.06Å; D129-R133 IonicContact OD1-NH2 3.94Å; D129-R133 PolarHBondContact OD1-NH2 3.06Å; D129-R133 IonicContact OD2-CZ 3.65Å; D129-R133 IonicContact OD2-NH1 3.25Å; D129-R133 PolarHBondContact OD2-NH1 3.25Å; D129-R133 IonicContact OD2-NH2 3.02Å; D129-R133 PolarHBondContact OD2-NH2 3.02Å; D129-R133 VanDerWaalsContact OD2-NH2 3.15Å
130	A	93.9	Very high	93.6	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-52.5	177	0	0	0	0	0	111.5	T106 S127 F128 Q132 R133 L134 L144	T106-A130 HydrophobicContact CG2-CB 3.71Å; S127-A130 WeakPolarHBondContact O-CB 3.46Å; S127-A130 PolarHBondContact O-N 2.85Å; S127-A130 PolarHBondContact OG-N 2.91Å; F128-A130 VanDerWaalsContact C-N 3.27Å; F128-A130 PolarHBondContact O-N 3.49Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.01Å; A130-R133 PolarHBondContact O-N 2.62Å; A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 PolarHBondContact O-N 3.11Å; A130-L144 HydrophobicContact CB-CD1 4.33Å
131	V	94.1	Very high	93.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-38.8	-179.5	-179.7	0	0	0	0	110.8	Y126 S127 F128 R133 N135 L136 I155	Y126-V131 HydrophobicContact CD2-CG2 4.25Å; Y126-V131 HydrophobicContact CG-CG2 4.27Å; S127-V131 PolarHBondContact O-N 2.85Å; F128-V131 PolarHBondContact O-N 3.12Å; V131-R133 PolarHBondContact O-N 3.35Å; V131-N135 HydrophobicContact CG1-CB 4.14Å; V131-N135 WeakPolarHBondContact O-CA 3.42Å; V131-N135 VanDerWaalsContact O-CB 3.27Å; V131-N135 WeakPolarHBondContact O-CB 3.38Å; V131-N135 PolarHBondContact O-N 2.84Å; V131-L136 PolarHBondContact O-N 3.41Å; V131-I155 HydrophobicContact CG1-CD1 4.25Å
132	Q	94	Very high	93.5	Very high	70 Å²	70	47 Å²	47	33%	0.327	24%	0.237	S	C	.	.	I	π-helix	trans	-64	-43.4	178.5	-170.4	-177.6	24.2	0	0	111.8	F128 A130 L136 K137	F128-Q132 HydrophobicContact CD1-CB 4.25Å; F128-Q132 HydrophobicContact CE1-CB 4.05Å; F128-Q132 HydrophobicContact CE1-CG 4.17Å; F128-Q132 HydrophobicContact CZ-CB 4.42Å; F128-Q132 HydrophobicContact CZ-CG 4.49Å; F128-Q132 WeakPolarHBondContact O-CB 3.16Å; F128-Q132 PolarHBondContact O-N 2.77Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.01Å; Q132-L136 HydrophobicContact CB-CD1 4.48Å; Q132-L136 HydrophobicContact CG-CD1 4.47Å; Q132-K137 WeakPolarHBondContact O-CB 3.33Å; Q132-K137 VanDerWaalsContact O-CG 3.29Å; Q132-K137 WeakPolarHBondContact O-CG 3.41Å; Q132-K137 PolarHBondContact O-N 2.88Å
133	R	93.7	Very high	93.5	Very high	132 Å²	132	46.3 Å²	46.3	50%	0.498	23%	0.233	S	C	.	.	I	π-helix	trans	-76.2	-45.8	-179.3	-71.3	-179.7	-175.5	145.2	9.7	112.8	D129 A130 V131	D129-R133 VanDerWaalsContact CG-NH2 3.31Å; D129-R133 WeakPolarHBondContact O-CB 3.27Å; D129-R133 VanDerWaalsContact O-CG 3.32Å; D129-R133 WeakPolarHBondContact O-CG 2.84Å; D129-R133 PolarHBondContact O-N 3.21Å; D129-R133 IonicContact OD1-CZ 3.24Å; D129-R133 IonicContact OD1-NE 2.68Å; D129-R133 PolarHBondContact OD1-NE 3.19Å; D129-R133 IonicContact OD1-NH1 3.14Å; D129-R133 PolarHBondContact OD1-NH1 3.06Å; D129-R133 IonicContact OD1-NH2 3.94Å; D129-R133 PolarHBondContact OD1-NH2 3.06Å; D129-R133 IonicContact OD2-CZ 3.65Å; D129-R133 IonicContact OD2-NH1 3.25Å; D129-R133 PolarHBondContact OD2-NH1 3.25Å; D129-R133 IonicContact OD2-NH2 3.02Å; D129-R133 PolarHBondContact OD2-NH2 3.02Å; D129-R133 VanDerWaalsContact OD2-NH2 3.15Å; A130-R133 PolarHBondContact O-N 2.62Å; V131-R133 PolarHBondContact O-N 3.35Å
134	L	92.7	Very high	93.4	Very high	78 Å²	78	48.4 Å²	48.4	41%	0.408	24%	0.243	S	C	.	.	I	π-helix	trans	-92.6	-25.4	-168.6	-62.9	173.4	0	0	0	113.6	V105 A130 A138 L144	V105-L134 HydrophobicContact CG1-CD1 3.47Å; V105-L134 VanDerWaalsContact CG1-CD1 3.47Å; A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 PolarHBondContact O-N 3.11Å; L134-A138 WeakPolarHBondContact O-CB 3.38Å; L134-L144 HydrophobicContact CB-CD1 4.44Å; L134-L144 HydrophobicContact CB-CD2 3.6Å; L134-L144 HydrophobicContact CD1-CD1 4.16Å; L134-L144 HydrophobicContact CD1-CD2 4.01Å; L134-L144 HydrophobicContact CG-CD2 4.47Å
135	N	92.5	Very high	93.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-107.4	-61	177.7	-57.5	98.5	0	0	0	111.7	V131 N139 N140 L142 L144 F150	V131-N135 HydrophobicContact CG1-CB 4.14Å; V131-N135 WeakPolarHBondContact O-CA 3.42Å; V131-N135 VanDerWaalsContact O-CB 3.27Å; V131-N135 WeakPolarHBondContact O-CB 3.38Å; V131-N135 PolarHBondContact O-N 2.84Å; N135-N139 WeakPolarHBondContact O-CA 3.47Å; N135-N139 PolarHBondContact O-N 3.42Å; N135-N140 WeakPolarHBondContact CA-O 3.32Å; N135-N140 VanDerWaalsContact CB-O 3.23Å; N135-N140 WeakPolarHBondContact CB-O 3.49Å; N135-N140 PolarHBondContact ND2-O 2.83Å; N135-N140 PolarHBondContact O-N 3.21Å; N135-L142 PolarHBondContact ND2-O 2.98Å; N135-L144 WeakPolarHBondContact OD1-CD2 3.03Å; N135-L144 WeakPolarHBondContact OD1-CG 3.35Å; N135-F150 HydrophobicContact CB-CZ 4.04Å
136	L	91.7	Very high	92.8	Very high	49 Å²	49	56.1 Å²	56.1	26%	0.257	28%	0.284	S	S	.	.	I	π-helix	trans	-68	-47.2	-171.4	-66.6	172	0	0	0	112.9	F128 V131 Q132 F141 K152 I155	F128-L136 HydrophobicContact CE2-CD1 4.36Å; F128-L136 HydrophobicContact CZ-CD1 4.42Å; V131-L136 PolarHBondContact O-N 3.41Å; Q132-L136 HydrophobicContact CB-CD1 4.48Å; Q132-L136 HydrophobicContact CG-CD1 4.47Å; L136-F141 HydrophobicContact CD2-CE1 4.23Å; L136-K152 HydrophobicContact CD2-CG 4.34Å; L136-I155 HydrophobicContact CD2-CD1 4.18Å
137	K	92.3	Very high	92.4	Very high	147 Å²	147	60 Å²	60	64%	0.639	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-29.8	179.1	-75.3	-179.8	179	-176.1	0	112.9	Q132	Q132-K137 WeakPolarHBondContact O-CB 3.33Å; Q132-K137 VanDerWaalsContact O-CG 3.29Å; Q132-K137 WeakPolarHBondContact O-CG 3.41Å; Q132-K137 PolarHBondContact O-N 2.88Å
138	A	90.4	Very high	92.2	Very high	64 Å²	64	64 Å²	64	53%	0.529	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.7	179.2	0	0	0	0	0	113.5	L134 N140	L134-A138 WeakPolarHBondContact O-CB 3.38Å; A138-N140 HydrophobicContact CB-CB 4.39Å; A138-N140 PolarHBondContact O-N 3.28Å
139	N	91	Very high	92.1	Very high	121 Å²	121	66 Å²	66	65%	0.647	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	35.1	-170.3	-73.9	-28.5	0	0	0	113.6	N135	N135-N139 WeakPolarHBondContact O-CA 3.47Å; N135-N139 PolarHBondContact O-N 3.42Å
140	N	90.2	Very high	92.1	Very high	71 Å²	71	64.5 Å²	64.5	38%	0.38	34%	0.341	S	S	.	.			trans	-109	105.4	178.3	-176	13.5	0	0	0	110	N135 A138 L142	N135-N140 WeakPolarHBondContact CA-O 3.32Å; N135-N140 VanDerWaalsContact CB-O 3.23Å; N135-N140 WeakPolarHBondContact CB-O 3.49Å; N135-N140 PolarHBondContact ND2-O 2.83Å; N135-N140 PolarHBondContact O-N 3.21Å; A138-N140 HydrophobicContact CB-CB 4.39Å; A138-N140 PolarHBondContact O-N 3.28Å; N140-L142 VanDerWaalsContact C-N 3.34Å; N140-L142 PolarHBondContact O-N 2.67Å; N140-L142 WeakPolarHBondContact OD1-CD1 2.89Å; N140-L142 WeakPolarHBondContact OD1-CG 3.46Å
141	F	91.5	Very high	92	Very high	56 Å²	56	68 Å²	68	25%	0.246	36%	0.362	C	S	.	.			trans	-98.6	48.2	-176.7	-61.6	-78.2	0	0	0	112.9	L136 S149 F150 K152	L136-F141 HydrophobicContact CD2-CE1 4.23Å; F141-S149 WeakPolarHBondContact O-CA 3.24Å; F141-F150 VanDerWaalsContact CB-O 3.23Å; F141-F150 WeakPolarHBondContact CB-O 3.29Å; F141-F150 HydrophobicContact CD1-CE2 4.26Å; F141-F150 WeakPolarHBondContact O-CD1 3.32Å; F141-F150 PolarHBondContact O-N 3.31Å; F141-K152 HydrophobicContact CD1-CG 4.38Å; F141-K152 HydrophobicContact CE1-CD 4.3Å; F141-K152 HydrophobicContact CE1-CG 3.51Å; F141-K152 HydrophobicContact CZ-CD 4.3Å; F141-K152 HydrophobicContact CZ-CG 3.96Å
142	L	93.2	Very high	91.9	Very high	69 Å²	69	74 Å²	74	36%	0.361	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-113.8	137.7	173.5	-58.6	175.3	0	0	0	109.3	N135 N140 L144 E148 F150	N135-L142 PolarHBondContact ND2-O 2.98Å; N140-L142 VanDerWaalsContact C-N 3.34Å; N140-L142 PolarHBondContact O-N 2.67Å; N140-L142 WeakPolarHBondContact OD1-CD1 2.89Å; N140-L142 WeakPolarHBondContact OD1-CG 3.46Å; L142-L144 PolarHBondContact O-N 3.12Å; L142-E148 CarbonylContact C-O 3.51Å; L142-E148 WeakPolarHBondContact CA-O 3.38Å; L142-F150 VanDerWaalsContact C-CE1 3.46Å; L142-F150 WeakPolarHBondContact O-CE1 3.34Å
143	D	92.8	Very high	91.9	Very high	2 Å²	2	77.8 Å²	77.8	1%	0.011	41%	0.411	C	S	.	.			trans	-58	135.3	177.6	-172.1	5.1	0	0	0	110.4	I119 T122 N124 Y126 L145 S147 E148	I119-D143 HydrophobicContact CD1-CB 4.37Å; I119-D143 WeakPolarHBondContact CD1-OD1 3.29Å; T122-D143 WeakPolarHBondContact CB-OD2 3.38Å; T122-D143 HydrophobicContact CG2-CB 4.18Å; T122-D143 WeakPolarHBondContact CG2-OD2 2.98Å; T122-D143 PolarHBondContact OG1-OD2 3.28Å; N124-D143 PolarHBondContact ND2-OD2 3.38Å; Y126-D143 WeakPolarHBondContact CE2-OD1 3.32Å; Y126-D143 PolarHBondContact OH-OD1 3.1Å; D143-L145 PolarHBondContact O-N 3.47Å; D143-S147 VanDerWaalsContact O-CA 3.28Å; D143-S147 WeakPolarHBondContact O-CA 3.46Å; D143-S147 PolarHBondContact O-N 2.85Å; D143-E148 PolarHBondContact N-O 2.88Å
144	L	91.6	Very high	91.9	Very high	45 Å²	45	72.5 Å²	72.5	24%	0.236	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.5	-171.6	-60.8	174.7	0	0	0	114	V105 Y126 A130 L134 N135 L142	V105-L144 HydrophobicContact CG2-CB 3.75Å; V105-L144 HydrophobicContact CG2-CD1 3.97Å; V105-L144 HydrophobicContact CG2-CG 4.49Å; Y126-L144 HydrophobicContact CD1-CD1 4.24Å; Y126-L144 HydrophobicContact CE1-CB 4.03Å; Y126-L144 HydrophobicContact CE1-CD1 4.4Å; Y126-L144 HydrophobicContact CG-CD1 4.44Å; A130-L144 HydrophobicContact CB-CD1 4.33Å; L134-L144 HydrophobicContact CB-CD1 4.44Å; L134-L144 HydrophobicContact CB-CD2 3.6Å; L134-L144 HydrophobicContact CD1-CD1 4.16Å; L134-L144 HydrophobicContact CD1-CD2 4.01Å; L134-L144 HydrophobicContact CG-CD2 4.47Å; N135-L144 WeakPolarHBondContact OD1-CD2 3.03Å; N135-L144 WeakPolarHBondContact OD1-CG 3.35Å; L142-L144 PolarHBondContact O-N 3.12Å
145	L	91	Very high	92	Very high	70 Å²	70	70.3 Å²	70.3	37%	0.366	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-52.9	175.5	-69.5	174.2	0	0	0	112.4	H94 P104 Y126 D143	H94-L145 WeakPolarHBondContact NE2-CD1 3.15Å; P104-L145 HydrophobicContact CB-CD1 4.26Å; P104-L145 HydrophobicContact CB-CD2 4.3Å; P104-L145 HydrophobicContact CG-CD1 3.83Å; P104-L145 HydrophobicContact CG-CD2 4.49Å; P104-L145 HydrophobicContact CG-CG 4.42Å; Y126-L145 HydrophobicContact CE1-CD1 4.11Å; Y126-L145 HydrophobicContact CE1-CG 4.04Å; Y126-L145 WeakPolarHBondContact OH-CB 3.41Å; Y126-L145 WeakPolarHBondContact OH-CD1 3.38Å; Y126-L145 WeakPolarHBondContact OH-CG 3.42Å; Y126-L145 PolarHBondContact OH-N 3.47Å; D143-L145 PolarHBondContact O-N 3.47Å
146	N	89.2	Confident	92.1	Very high	98 Å²	98	70.6 Å²	70.6	52%	0.524	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-5.6	-168.7	-64.6	1.9	0	0	0	113.9	T122 E148	T122-N146 HydrophobicContact CG2-CB 4.36Å; N146-E148 HydrophobicContact CB-CG 4.44Å; N146-E148 PolarHBondContact O-N 3.43Å
147	S	88.1	Confident	92.3	Very high	83 Å²	83	70.6 Å²	70.6	58%	0.58	38%	0.384	S	S	*	.			trans	58.4	20.7	-175.7	-53.2	0	0	0	0	115.2	D143	D143-S147 VanDerWaalsContact O-CA 3.28Å; D143-S147 WeakPolarHBondContact O-CA 3.46Å; D143-S147 PolarHBondContact O-N 2.85Å
148	E	91.6	Very high	92.3	Very high	95 Å²	95	63.7 Å²	63.7	44%	0.444	35%	0.354	S	S	.	.			trans	-72	136.7	171.9	-73.3	-173.6	-169.8	0	0	110.8	T122 L142 D143 N146	T122-E148 HydrophobicContact CG2-CB 3.93Å; T122-E148 HydrophobicContact CG2-CG 4.08Å; T122-E148 WeakPolarHBondContact CG2-OE2 3.04Å; L142-E148 CarbonylContact C-O 3.51Å; L142-E148 WeakPolarHBondContact CA-O 3.38Å; D143-E148 PolarHBondContact N-O 2.88Å; N146-E148 HydrophobicContact CB-CG 4.44Å; N146-E148 PolarHBondContact O-N 3.43Å
149	S	93.3	Very high	92.4	Very high	94 Å²	94	60.8 Å²	60.8	66%	0.657	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-71.4	134.6	178.4	59.8	0	0	0	0	111.7	F141	F141-S149 WeakPolarHBondContact O-CA 3.24Å
150	F	94.3	Very high	92.4	Very high	9 Å²	9	57 Å²	57	4%	0.039	31%	0.31	C	S	.	.			trans	-133.5	168.2	174.5	70.1	-86.6	0	0	0	110.7	I119 P121 N135 F141 L142 D154 I155	I119-F150 HydrophobicContact CD1-CD1 4.1Å; I119-F150 HydrophobicContact CD1-CE1 3.67Å; I119-F150 HydrophobicContact CD1-CE2 4.37Å; I119-F150 HydrophobicContact CD1-CZ 3.83Å; I119-F150 HydrophobicContact CG2-CB 3.86Å; I119-F150 HydrophobicContact CG2-CD1 3.9Å; I119-F150 HydrophobicContact CG2-CD2 4.2Å; I119-F150 HydrophobicContact CG2-CG 3.74Å; P121-F150 HydrophobicContact CG-CB 3.99Å; N135-F150 HydrophobicContact CB-CZ 4.04Å; F141-F150 VanDerWaalsContact CB-O 3.23Å; F141-F150 WeakPolarHBondContact CB-O 3.29Å; F141-F150 HydrophobicContact CD1-CE2 4.26Å; F141-F150 WeakPolarHBondContact O-CD1 3.32Å; F141-F150 PolarHBondContact O-N 3.31Å; L142-F150 VanDerWaalsContact C-CE1 3.46Å; L142-F150 WeakPolarHBondContact O-CE1 3.34Å; F150-D154 HydrophobicContact CB-CB 4.12Å; F150-D154 HydrophobicContact CD2-CB 4.47Å; F150-I155 HydrophobicContact CD2-CG1 4.17Å; F150-I155 HydrophobicContact CE2-CD1 3.96Å; F150-I155 HydrophobicContact CE2-CG1 3.74Å
151	T	93.2	Very high	92.2	Very high	74 Å²	74	55.9 Å²	55.9	45%	0.454	31%	0.306	S	S	.	.			trans	-109.7	167.2	175.3	63.2	0	0	0	0	111.4	D153 D154	T151-D153 PolarHBondContact O-N 3.46Å; T151-D153 VanDerWaalsContact O-N 3.14Å; T151-D154 PolarHBondContact N-OD2 2.93Å; T151-D154 WeakPolarHBondContact O-CB 3.47Å; T151-D154 PolarHBondContact O-N 2.97Å; T151-D154 PolarHBondContact OG1-OD2 3.13Å
152	K	92	Very high	92	Very high	127 Å²	127	58.5 Å²	58.5	55%	0.552	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-57.1	-30.5	176.6	-71.4	-177.4	-177.8	177.9	0	112.8	L136 F141 D154 I155	L136-K152 HydrophobicContact CD2-CG 4.34Å; F141-K152 HydrophobicContact CD1-CG 4.38Å; F141-K152 HydrophobicContact CE1-CD 4.3Å; F141-K152 HydrophobicContact CE1-CG 3.51Å; F141-K152 HydrophobicContact CZ-CD 4.3Å; F141-K152 HydrophobicContact CZ-CG 3.96Å; K152-D154 VanDerWaalsContact C-N 3.25Å; K152-D154 PolarHBondContact O-N 3.34Å; K152-I155 WeakPolarHBondContact O-CB 3.31Å; K152-I155 WeakPolarHBondContact O-CG1 3.27Å; K152-I155 PolarHBondContact O-N 2.94Å
153	D	93.2	Very high	91.5	Very high	150 Å²	150	60.1 Å²	60.1	80%	0.802	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-76.4	-13.7	-179.9	-59.1	-21.7	0	0	0	113	T151 I155	T151-D153 PolarHBondContact O-N 3.46Å; T151-D153 VanDerWaalsContact O-N 3.14Å; D153-I155 VanDerWaalsContact C-N 3.27Å
154	D	94	Very high	90.7	Very high	21 Å²	21	63.6 Å²	63.6	11%	0.112	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-84.5	-2.3	176.2	-68.5	-48.4	0	0	0	112.9	K120 F150 T151 K152 I156	K120-D154 HydrophobicContact CB-CB 3.97Å; K120-D154 VanDerWaalsContact CB-O 3.25Å; K120-D154 WeakPolarHBondContact CB-O 3.46Å; K120-D154 PolarHBondContact N-O 2.97Å; K120-D154 IonicContact NZ-OD1 3.8Å; K120-D154 PolarHBondContact NZ-OD1 3.3Å; F150-D154 HydrophobicContact CB-CB 4.12Å; F150-D154 HydrophobicContact CD2-CB 4.47Å; T151-D154 PolarHBondContact N-OD2 2.93Å; T151-D154 WeakPolarHBondContact O-CB 3.47Å; T151-D154 PolarHBondContact O-N 2.97Å; T151-D154 PolarHBondContact OG1-OD2 3.13Å; K152-D154 VanDerWaalsContact C-N 3.25Å; K152-D154 PolarHBondContact O-N 3.34Å; D154-I156 PolarHBondContact O-N 3.29Å
155	I	95.1	Very high	90	Very high	31 Å²	31	68.5 Å²	68.5	16%	0.159	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	103.1	178.9	-57.4	-179.4	0	0	0	109.3	V117 V131 L136 F150 K152 D153	V117-I155 HydrophobicContact CG1-CB 4.47Å; V117-I155 HydrophobicContact CG1-CG2 3.21Å; V131-I155 HydrophobicContact CG1-CD1 4.25Å; L136-I155 HydrophobicContact CD2-CD1 4.18Å; F150-I155 HydrophobicContact CD2-CG1 4.17Å; F150-I155 HydrophobicContact CE2-CD1 3.96Å; F150-I155 HydrophobicContact CE2-CG1 3.74Å; K152-I155 WeakPolarHBondContact O-CB 3.31Å; K152-I155 WeakPolarHBondContact O-CG1 3.27Å; K152-I155 PolarHBondContact O-N 2.94Å; D153-I155 VanDerWaalsContact C-N 3.27Å
156	I	95.1	Very high	89.3	Confident	7 Å²	7	68.4 Å²	68.4	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.1	-177.9	-60.9	173.8	0	0	0	110	G58 I89 V117 A118 K120 D154 I158	G58-I156 VanDerWaalsContact CA-CG2 3.4Å; I89-I156 HydrophobicContact CD1-CD1 3.34Å; V117-I156 CarbonylContact C-O 3.54Å; V117-I156 VanDerWaalsContact CA-O 3.29Å; V117-I156 WeakPolarHBondContact CA-O 3.31Å; V117-I156 WeakPolarHBondContact CG1-O 3.32Å; A118-I156 PolarHBondContact N-O 3.12Å; A118-I156 PolarHBondContact O-N 3.03Å; K120-I156 HydrophobicContact CB-CD1 3.82Å; K120-I156 HydrophobicContact CB-CG1 4.32Å; K120-I156 HydrophobicContact CD-CD1 4.28Å; K120-I156 HydrophobicContact CG-CD1 4.4Å; D154-I156 PolarHBondContact O-N 3.29Å; I156-I158 PolarHBondContact O-N 3.19Å
157	T	94.6	Very high	88.8	Confident	48 Å²	48	64.7 Å²	64.7	29%	0.294	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108.7	179.2	-55.8	0	0	0	0	111	H115 D160 K166	H115-T157 VanDerWaalsContact NE2-CG2 3.29Å; H115-T157 WeakPolarHBondContact NE2-CG2 3.48Å; T157-D160 HydrophobicContact CG2-CB 4.02Å; T157-K166 PolarHBondContact O-NZ 3.08Å
158	I	93.1	Very high	88.6	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-47.2	179.6	-66.3	170.7	0	0	0	110.6	V60 L91 F93 I116 A118 V125 I156 F167	V60-I158 HydrophobicContact CG2-CG2 3.72Å; L91-I158 HydrophobicContact CD1-CD1 3.63Å; L91-I158 HydrophobicContact CD1-CG1 4.47Å; L91-I158 HydrophobicContact CD2-CD1 4.09Å; F93-I158 HydrophobicContact CZ-CD1 4.33Å; I116-I158 HydrophobicContact CB-CB 4.44Å; I116-I158 HydrophobicContact CG2-CB 4.27Å; I116-I158 HydrophobicContact CG2-CD1 4.36Å; I116-I158 PolarHBondContact O-N 3.11Å; A118-I158 HydrophobicContact CB-CD1 3.82Å; A118-I158 HydrophobicContact CB-CG1 4.44Å; V125-I158 HydrophobicContact CG1-CD1 4.2Å; V125-I158 HydrophobicContact CG2-CD1 4.13Å; I156-I158 PolarHBondContact O-N 3.19Å; I158-F167 WeakPolarHBondContact O-CE2 3.5Å; I158-F167 WeakPolarHBondContact O-CZ 3.39Å
159	Q	91.5	Very high	88.2	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.019	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	120.2	-178.9	-178.9	-180	-85	0	0	109.3	R36 F39 N111 E112 T114 H115 I116	R36-Q159 VanDerWaalsContact NH2-CG 3.33Å; R36-Q159 VanDerWaalsContact NH2-OE1 3.11Å; F39-Q159 HydrophobicContact CB-CB 4.49Å; N111-Q159 PolarHBondContact O-NE2 2.61Å; E112-Q159 VanDerWaalsContact C-NE2 3.26Å; E112-Q159 PolarHBondContact O-NE2 3.29Å; T114-Q159 PolarHBondContact O-NE2 3.19Å; H115-Q159 CarbonylContact C-O 3.31Å; H115-Q159 VanDerWaalsContact CA-O 3.26Å; H115-Q159 WeakPolarHBondContact CA-O 3.33Å; H115-Q159 PolarHBondContact CD2-O 3.07Å; I116-Q159 HydrophobicContact CB-CB 4.13Å; I116-Q159 HydrophobicContact CD1-CB 4.22Å; I116-Q159 HydrophobicContact CG1-CB 4.29Å; I116-Q159 PolarHBondContact N-O 3.25Å; I116-Q159 PolarHBondContact O-N 3.14Å; I116-Q159 VanDerWaalsContact O-N 3.12Å
160	D	90.8	Very high	87.6	Confident	41 Å²	41	56 Å²	56	22%	0.219	29%	0.293	C	S	.	.			trans	-115.2	120.7	170.5	-170.8	-22.3	0	0	0	108.7	H115 T157 T162 Q163	H115-D160 IonicContact CE1-OD2 2.69Å; H115-D160 IonicContact NE2-OD2 3.52Å; T157-D160 HydrophobicContact CG2-CB 4.02Å; D160-T162 PolarHBondContact O-N 2.73Å; D160-T162 WeakPolarHBondContact OD1-CB 3.46Å; D160-T162 PolarHBondContact OD1-N 2.7Å; D160-T162 PolarHBondContact OD1-OG1 3.15Å; D160-T162 PolarHBondContact OD2-OG1 3.11Å; D160-T162 VanDerWaalsContact OD2-OG1 3.12Å; D160-Q163 HydrophobicContact CB-CB 4.38Å; D160-Q163 PolarHBondContact O-N 2.91Å
161	P	87.1	Confident	87.1	Confident	47 Å²	47	57.7 Å²	57.7	31%	0.305	31%	0.308	S	S	.	.	S	Bend	trans	-62.9	-18.5	176.9	26.7	-35.3	0	0	0	113.6
162	T	86.9	Confident	86.7	Confident	112 Å²	112	54.2 Å²	54.2	69%	0.687	29%	0.287	S	S	*	.	S	Bend	trans	-84.3	-29.3	179.3	66.1	0	0	0	0	113.1	D160	D160-T162 PolarHBondContact O-N 2.73Å; D160-T162 WeakPolarHBondContact OD1-CB 3.46Å; D160-T162 PolarHBondContact OD1-N 2.7Å; D160-T162 PolarHBondContact OD1-OG1 3.15Å; D160-T162 PolarHBondContact OD2-OG1 3.11Å; D160-T162 VanDerWaalsContact OD2-OG1 3.12Å
163	Q	83.7	Confident	86.5	Confident	102 Å²	102	52.8 Å²	52.8	48%	0.477	28%	0.279	S	S	.	.			trans	-108.4	80	-177.9	-168	64.7	18	0	0	111.4	D160	D160-Q163 HydrophobicContact CB-CB 4.38Å; D160-Q163 PolarHBondContact O-N 2.91Å
164	L	75.4	Confident	86	Confident	75 Å²	75	46.9 Å²	46.9	39%	0.393	25%	0.246	S	C	.	.			trans	-76.5	-23.2	-174	-70.8	159.9	0	0	0	114	F34 K166	F34-L164 HydrophobicContact CE2-CB 4.3Å; F34-L164 WeakPolarHBondContact CE2-O 3.5Å; F34-L164 HydrophobicContact CZ-CB 3.87Å; F34-L164 HydrophobicContact CZ-CD2 4.32Å; L164-K166 VanDerWaalsContact C-N 3.33Å; L164-K166 PolarHBondContact O-N 2.94Å
165	E	77.4	Confident	85.6	Confident	149 Å²	149	47.1 Å²	47.1	70%	0.696	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-67.6	-30.5	-171.3	-63.8	-171.8	160.8	0	0	113.9	F167 N168	E165-F167 PolarHBondContact O-N 3.19Å; E165-N168 PolarHBondContact O-N 2.9Å
166	K	76.5	Confident	85	Confident	67 Å²	67	51.1 Å²	51.1	29%	0.291	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-60.2	-29	-175.5	-176.2	-179.4	170.3	-162.6	0	113.5	E57 T157 L164	E57-K166 WeakPolarHBondContact O-CE 3.44Å; E57-K166 PolarHBondContact O-NZ 2.75Å; T157-K166 PolarHBondContact O-NZ 3.08Å; L164-K166 VanDerWaalsContact C-N 3.33Å; L164-K166 PolarHBondContact O-N 2.94Å
167	F	78.2	Confident	84.1	Confident	21 Å²	21	54.5 Å²	54.5	9%	0.092	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-112.6	23.1	-175.4	-60.8	-70.9	0	0	0	113.4	L37 I158 E165 I169	L37-F167 PolarHBondContact N-O 3.15Å; L37-F167 VanDerWaalsContact N-O 3.1Å; I158-F167 WeakPolarHBondContact O-CE2 3.5Å; I158-F167 WeakPolarHBondContact O-CZ 3.39Å; E165-F167 PolarHBondContact O-N 3.19Å; F167-I169 PolarHBondContact O-N 3.16Å
168	N	83.1	Confident	82.5	Confident	30 Å²	30	58.4 Å²	58.4	16%	0.16	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-75.5	109.8	172	-173.2	-8.8	0	0	0	109.8	F34 E165 S170 A171 F172	F34-N168 HydrophobicContact CD2-CB 4.09Å; F34-N168 HydrophobicContact CE2-CB 4Å; E165-N168 PolarHBondContact O-N 2.9Å; N168-S170 PolarHBondContact ND2-OG 2.74Å; N168-S170 PolarHBondContact O-N 2.55Å; N168-S170 WeakPolarHBondContact OD1-CB 3.47Å; N168-S170 PolarHBondContact OD1-N 2.68Å; N168-S170 PolarHBondContact OD1-OG 3.24Å; N168-A171 HydrophobicContact CB-CB 4.33Å; N168-A171 WeakPolarHBondContact O-CB 3.21Å; N168-A171 PolarHBondContact O-N 3.17Å; N168-F172 WeakPolarHBondContact O-CD1 3.37Å
169	I	83.7	Confident	80.2	Confident	35 Å²	35	66.8 Å²	66.8	18%	0.179	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-54.9	-33.2	-177.7	-63.6	165.5	0	0	0	111.5	K35 L37 F46 F167 A171 F172 V175	K35-I169 HydrophobicContact CB-CD1 4.07Å; K35-I169 WeakPolarHBondContact O-CG1 3.35Å; K35-I169 PolarHBondContact O-N 3.08Å; K35-I169 VanDerWaalsContact O-N 3.1Å; L37-I169 HydrophobicContact CB-CD1 4.28Å; L37-I169 HydrophobicContact CB-CG1 3.98Å; L37-I169 HydrophobicContact CD1-CD1 4.17Å; L37-I169 HydrophobicContact CD1-CG1 4.36Å; F46-I169 HydrophobicContact CD1-CG1 4.46Å; F46-I169 HydrophobicContact CD1-CG2 4.35Å; F46-I169 HydrophobicContact CE1-CG1 4.32Å; F46-I169 HydrophobicContact CE1-CG2 3.72Å; F46-I169 HydrophobicContact CE2-CG2 4.33Å; F46-I169 HydrophobicContact CZ-CG2 3.71Å; F167-I169 PolarHBondContact O-N 3.16Å; I169-A171 PolarHBondContact O-N 3.26Å; I169-F172 HydrophobicContact CG1-CE2 4.37Å; I169-F172 PolarHBondContact O-N 3.28Å; I169-V175 HydrophobicContact CG2-CG2 4.44Å
170	S	81.5	Confident	77.3	Confident	25 Å²	25	75.6 Å²	75.6	18%	0.175	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-69.7	-14	-179.4	72.7	0	0	0	0	114.4	R32 N168 K176	R32-S170 PolarHBondContact NH1-O 2.68Å; N168-S170 PolarHBondContact ND2-OG 2.74Å; N168-S170 PolarHBondContact O-N 2.55Å; N168-S170 WeakPolarHBondContact OD1-CB 3.47Å; N168-S170 PolarHBondContact OD1-N 2.68Å; N168-S170 PolarHBondContact OD1-OG 3.24Å; S170-K176 WeakPolarHBondContact O-CE 3.21Å
171	A	82.8	Confident	74.7	Confident	43 Å²	43	79.6 Å²	79.6	36%	0.355	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-90.2	-19.2	179.7	0	0	0	0	0	113.4	N168 I169 K176	N168-A171 HydrophobicContact CB-CB 4.33Å; N168-A171 WeakPolarHBondContact O-CB 3.21Å; N168-A171 PolarHBondContact O-N 3.17Å; I169-A171 PolarHBondContact O-N 3.26Å; A171-K176 PolarHBondContact O-NZ 3.46Å
172	F	85.8	Confident	72	Confident	2 Å²	2	86.5 Å²	86.5	1%	0.009	42%	0.421	C	S	.	.			trans	-63.6	135.3	-171.4	-65.3	-7.2	0	0	0	112.6	L37 F46 V78 N168 I169 H174 V175 K176	L37-F172 HydrophobicContact CD2-CE2 4.19Å; L37-F172 HydrophobicContact CD2-CZ 4.3Å; F46-F172 AromaticContact CE1-CD2 3.81Å; F46-F172 HydrophobicContact CE1-CD2 3.81Å; F46-F172 AromaticContact CE1-CE2 3.86Å; F46-F172 HydrophobicContact CE1-CE2 3.86Å; F46-F172 HydrophobicContact CZ-CD2 4.28Å; V78-F172 HydrophobicContact CB-CD1 4.26Å; V78-F172 HydrophobicContact CG1-CD1 3.56Å; V78-F172 HydrophobicContact CG1-CE1 3.74Å; V78-F172 HydrophobicContact CG1-CG 4.29Å; V78-F172 HydrophobicContact CG2-CD1 3.99Å; V78-F172 HydrophobicContact CG2-CD2 4.13Å; V78-F172 HydrophobicContact CG2-CE1 4.12Å; V78-F172 HydrophobicContact CG2-CE2 4.25Å; V78-F172 HydrophobicContact CG2-CG 3.98Å; V78-F172 HydrophobicContact CG2-CZ 4.24Å; N168-F172 WeakPolarHBondContact O-CD1 3.37Å; I169-F172 HydrophobicContact CG1-CE2 4.37Å; I169-F172 PolarHBondContact O-N 3.28Å; F172-H174 AromaticContact CD2-CE1 3.79Å; F172-H174 PolarHBondContact O-N 3.34Å; F172-V175 HydrophobicContact CB-CB 4.25Å; F172-V175 HydrophobicContact CB-CG2 3.88Å; F172-V175 HydrophobicContact CD2-CG2 4.5Å; F172-V175 PolarHBondContact O-N 3.44Å; F172-K176 PolarHBondContact O-N 3.15Å
173	Y	87.1	Confident	69.6	Low	96 Å²	96	86.6 Å²	86.6	38%	0.376	42%	0.418	S	S	.	.	H	α-helix	trans	-53.9	-50.6	-177.1	-179	-92.9	0	0	0	112.6	P77 V78 V175 K176 N177	P77-Y173 WeakPolarHBondContact O-CB 3.44Å; P77-Y173 PolarHBondContact O-N 3.5Å; V78-Y173 PolarHBondContact O-N 3.05Å; V78-Y173 VanDerWaalsContact O-N 3.09Å; Y173-V175 PolarHBondContact O-N 2.85Å; Y173-K176 PolarHBondContact O-N 3.2Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.39Å; Y173-N177 WeakPolarHBondContact O-CB 3.49Å; Y173-N177 PolarHBondContact O-N 2.69Å; Y173-N177 PolarHBondContact OH-ND2 3.29Å
174	H	83.6	Confident	67.1	Low	26 Å²	26	91.5 Å²	91.5	12%	0.12	44%	0.441	C	S	.	.	H	α-helix	trans	-67.4	-19.3	-179.9	76.1	-78	0	0	0	113.9	S43 F46 F69 P77 F172 K178	S43-H174 PolarHBondContact O-CE1 3.18Å; F46-H174 AromaticContact CZ-CE1 3.96Å; F46-H174 AromaticContact CZ-NE2 3.48Å; F46-H174 WeakPolarHBondContact CZ-NE2 3.49Å; F69-H174 HydrophobicContact CE2-CB 4.38Å; F69-H174 HydrophobicContact CZ-CB 4.27Å; P77-H174 HydrophobicContact CB-CB 4.22Å; P77-H174 PolarHBondContact O-N 2.89Å; P77-H174 PolarHBondContact O-ND1 3.3Å; F172-H174 AromaticContact CD2-CE1 3.79Å; F172-H174 PolarHBondContact O-N 3.34Å; H174-K178 WeakPolarHBondContact O-CG 3.49Å
175	V	84.7	Confident	65.3	Low	27 Å²	27	91.1 Å²	91.1	16%	0.164	46%	0.455	C	S	.	.	H	α-helix	trans	-84	-39	175.9	179.6	0	0	0	0	110.8	F46 I169 F172 Y173	F46-V175 HydrophobicContact CE2-CG2 4.27Å; F46-V175 HydrophobicContact CZ-CG2 3.6Å; I169-V175 HydrophobicContact CG2-CG2 4.44Å; F172-V175 HydrophobicContact CB-CB 4.25Å; F172-V175 HydrophobicContact CB-CG2 3.88Å; F172-V175 HydrophobicContact CD2-CG2 4.5Å; F172-V175 PolarHBondContact O-N 3.44Å; Y173-V175 PolarHBondContact O-N 2.85Å
176	K	81.9	Confident	63.1	Low	115 Å²	115	91.8 Å²	91.8	50%	0.5	46%	0.463	S	S	.	.	H	α-helix	trans	-70.1	-39.1	176.2	-76.3	178.3	173.6	164.3	0	111.8	S170 A171 F172 Y173	S170-K176 WeakPolarHBondContact O-CE 3.21Å; A171-K176 PolarHBondContact O-NZ 3.46Å; F172-K176 PolarHBondContact O-N 3.15Å; Y173-K176 PolarHBondContact O-N 3.2Å
177	N	76.2	Confident	61.2	Low	77 Å²	77	94.8 Å²	94.8	41%	0.412	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	35.3	-175.3	-61.1	8.5	0	0	0	111.7	Y173 E179	Y173-N177 WeakPolarHBondContact CE2-ND2 3.39Å; Y173-N177 WeakPolarHBondContact O-CB 3.49Å; Y173-N177 PolarHBondContact O-N 2.69Å; Y173-N177 PolarHBondContact OH-ND2 3.29Å; N177-E179 PolarHBondContact O-N 3.1Å
178	K	61.3	Low	59.3	Low	130 Å²	130	99.9 Å²	99.9	57%	0.565	52%	0.519	S	S	*	.			trans	-66	78.4	169	-78.4	-160.9	172.3	-167.9	0	109.2	H174	H174-K178 WeakPolarHBondContact O-CG 3.49Å
179	E	44.3	Very low	57.4	Low	179 Å²	179	103.7 Å²	103.7	84%	0.836	54%	0.543	S	S	*	.			trans	-68.8	147.4	154.8	-73.4	-179.5	162.2	0	0	108.6	N177 E181	N177-E179 PolarHBondContact O-N 3.1Å; E179-E181 PolarHBondContact O-N 3.44Å
180	E	31.6	Very low	55.6	Low	189 Å²	189	107 Å²	107	88%	0.883	56%	0.561	S	S	*	*			trans	-73.2	82.9	-164.1	-59.6	167.4	152.6	0	0	112	Q182	E180-Q182 PolarHBondContact O-N 2.92Å
181	E	36.7	Very low	54.3	Low	125 Å²	125	114.7 Å²	114.7	58%	0.584	59%	0.586	S	S	*	*			trans	-88	96.7	159.8	-80.3	-167.3	-177	0	0	109.6	E179 N183	E179-E181 PolarHBondContact O-N 3.44Å; E181-N183 VanDerWaalsContact C-N 3.28Å; E181-N183 PolarHBondContact O-N 2.81Å; E181-N183 PolarHBondContact OE2-ND2 2.95Å
182	Q	29.5	Very low	52.9	Low	191 Å²	191	117.6 Å²	117.6	89%	0.893	60%	0.603	S	S	*	*			trans	-61.7	88.9	161	-68.7	180	-3.4	0	0	108.7	E180	E180-Q182 PolarHBondContact O-N 2.92Å
183	N	36.7	Very low	51.4	Low	114 Å²	114	120.8 Å²	120.8	61%	0.61	62%	0.62	S	S	*	*			trans	-96.4	116.6	164.7	-77.8	-48	0	0	0	108.5	E181 G185	E181-N183 VanDerWaalsContact C-N 3.28Å; E181-N183 PolarHBondContact O-N 2.81Å; E181-N183 PolarHBondContact OE2-ND2 2.95Å; N183-G185 PolarHBondContact O-N 2.94Å
184	E	31.6	Very low	50.8	Low	206 Å²	206	122.1 Å²	122.1	96%	0.963	63%	0.634	S	S	*	*	S	Bend	trans	-53.9	119.6	171.5	-62.5	174.5	152	0	0	109.9
185	G	36.9	Very low	50.5	Low	66 Å²	66	128 Å²	128	68%	0.68	66%	0.661	S	S	*	*	S	Bend	trans	134	80.9	175	0	0	0	0	0	114.2	N183	N183-G185 PolarHBondContact O-N 2.94Å
186	N	31.6	Very low	49.8	Very low	163 Å²	163	134.2 Å²	134.2	87%	0.872	69%	0.688	S	S	*	*	S	Bend	trans	55.4	122.6	157.4	-65.4	-17.5	0	0	0	119.7
187	V	37.2	Very low	48.9	Very low	131 Å²	131	131.6 Å²	131.6	79%	0.794	68%	0.682	S	S	*	*			trans	89.7	76	171.1	-161.7	0	0	0	0	115.5	V189	V187-V189 HydrophobicContact CG1-CG2 4.35Å
188	V	37	Very low	48.5	Very low	128 Å²	128	135 Å²	135	78%	0.776	69%	0.694	S	S	*	*			trans	-83.4	111.1	162.8	-179.1	0	0	0	0	109.1	I190	V188-I190 HydrophobicContact CG1-CG1 4.04Å; V188-I190 PolarHBondContact O-N 2.8Å
189	V	44.3	Very low	49.1	Very low	110 Å²	110	134.3 Å²	134.3	67%	0.667	69%	0.692	S	S	*	*			trans	-80.4	96.3	169	179.8	0	0	0	0	108.5	V187 R191	V187-V189 HydrophobicContact CG1-CG2 4.35Å; V189-R191 HydrophobicContact CG1-CG 4.44Å; V189-R191 PolarHBondContact O-N 2.84Å
190	I	45.1	Very low	50.2	Low	105 Å²	105	129.5 Å²	129.5	54%	0.538	68%	0.675	S	S	.	*			trans	-71.1	116.4	175.4	-56	173.4	0	0	0	108.7	V188 L193	V188-I190 HydrophobicContact CG1-CG1 4.04Å; V188-I190 PolarHBondContact O-N 2.8Å; I190-L193 HydrophobicContact CB-CD1 3.9Å; I190-L193 HydrophobicContact CG2-CD1 3.54Å; I190-L193 HydrophobicContact CG2-CG 3.96Å
191	R	53.6	Low	51.6	Low	186 Å²	186	125.4 Å²	125.4	70%	0.702	66%	0.659	S	S	*	*	S	Bend	trans	-91.5	-8.4	-174.4	-71.7	179.6	177.9	174	-3.5	114.9	V189	V189-R191 HydrophobicContact CG1-CG 4.44Å; V189-R191 PolarHBondContact O-N 2.84Å
192	S	54.4	Low	53.1	Low	104 Å²	104	123 Å²	123	73%	0.727	66%	0.66	S	S	*	*			trans	-152.6	113.9	170.7	59.6	0	0	0	0	110.2
193	L	54.2	Low	55.1	Low	68 Å²	68	121.7 Å²	121.7	36%	0.356	65%	0.654	S	S	.	*			trans	-97.5	134.5	172.8	-86.9	96.9	0	0	0	110.3	I190 T197 L201	I190-L193 HydrophobicContact CB-CD1 3.9Å; I190-L193 HydrophobicContact CG2-CD1 3.54Å; I190-L193 HydrophobicContact CG2-CG 3.96Å; L193-T197 WeakPolarHBondContact CD2-OG1 3.3Å; L193-L201 HydrophobicContact CD2-CD1 3.36Å
194	N	74.4	Confident	56.5	Low	125 Å²	125	121.5 Å²	121.5	67%	0.668	65%	0.652	S	S	*	*			trans	-59.2	155.6	163.7	-73.5	-11.9	0	0	0	110.2	E196 T197 K198	N194-E196 VanDerWaalsContact C-N 3.32Å; N194-E196 PolarHBondContact O-N 3.28Å; N194-T197 PolarHBondContact N-OG1 3.09Å; N194-T197 PolarHBondContact O-N 2.97Å; N194-T197 VanDerWaalsContact O-N 3.15Å; N194-T197 PolarHBondContact O-OG1 3.23Å; N194-K198 PolarHBondContact O-N 3.41Å; N194-K198 VanDerWaalsContact O-N 3.15Å
195	Q	76.9	Confident	57.9	Low	149 Å²	149	116.5 Å²	116.5	70%	0.696	64%	0.638	S	S	*	*	H	α-helix	trans	-62.8	-37.9	-173.3	-165.2	152.6	-15	0	0	112.8	T197 K198 E199	Q195-T197 VanDerWaalsContact C-N 3.35Å; Q195-T197 PolarHBondContact O-N 3.04Å; Q195-K198 WeakPolarHBondContact O-CB 3.34Å; Q195-K198 PolarHBondContact O-N 3.21Å; Q195-K198 VanDerWaalsContact O-N 3.15Å; Q195-E199 PolarHBondContact O-N 3.45Å; Q195-E199 VanDerWaalsContact O-N 3.15Å
196	E	70.1	Confident	58.9	Low	157 Å²	157	122.8 Å²	122.8	73%	0.734	65%	0.646	S	S	*	*	H	α-helix	trans	-63.1	-36.8	175.5	-62.7	175.5	173.2	0	0	112.9	N194 K198 E199 T200	N194-E196 VanDerWaalsContact C-N 3.32Å; N194-E196 PolarHBondContact O-N 3.28Å; E196-K198 VanDerWaalsContact C-N 3.3Å; E196-K198 PolarHBondContact O-N 3.06Å; E196-E199 PolarHBondContact O-N 3.22Å; E196-T200 WeakPolarHBondContact O-CG2 3.41Å; E196-T200 PolarHBondContact O-N 3.04Å; E196-T200 VanDerWaalsContact O-N 3.15Å; E196-T200 PolarHBondContact O-OG1 2.81Å; E196-T200 VanDerWaalsContact O-OG1 3.04Å
197	T	64.1	Low	59.7	Low	60 Å²	60	123.3 Å²	123.3	37%	0.368	64%	0.643	S	S	.	*	H	α-helix	trans	-76.1	-23	177.6	53.4	0	0	0	0	112.2	L193 N194 Q195 T200 L201	L193-T197 WeakPolarHBondContact CD2-OG1 3.3Å; N194-T197 PolarHBondContact N-OG1 3.09Å; N194-T197 PolarHBondContact O-N 2.97Å; N194-T197 VanDerWaalsContact O-N 3.15Å; N194-T197 PolarHBondContact O-OG1 3.23Å; Q195-T197 VanDerWaalsContact C-N 3.35Å; Q195-T197 PolarHBondContact O-N 3.04Å; T197-T200 VanDerWaalsContact CA-OG1 3.3Å; T197-T200 WeakPolarHBondContact CA-OG1 3.44Å; T197-T200 PolarHBondContact O-OG1 2.89Å; T197-T200 VanDerWaalsContact O-OG1 3.11Å; T197-L201 WeakPolarHBondContact O-CB 3.46Å; T197-L201 PolarHBondContact O-N 3.49Å; T197-L201 VanDerWaalsContact O-N 3.14Å
198	K	67.1	Low	60.7	Low	150 Å²	150	123.9 Å²	123.9	65%	0.652	64%	0.641	S	S	*	*	H	α-helix	trans	-74.1	-35.3	174.4	-157.7	-179.6	-176.4	-176.3	0	112.2	N194 Q195 E196 A202	N194-K198 PolarHBondContact O-N 3.41Å; N194-K198 VanDerWaalsContact O-N 3.15Å; Q195-K198 WeakPolarHBondContact O-CB 3.34Å; Q195-K198 PolarHBondContact O-N 3.21Å; Q195-K198 VanDerWaalsContact O-N 3.15Å; E196-K198 VanDerWaalsContact C-N 3.3Å; E196-K198 PolarHBondContact O-N 3.06Å; K198-A202 WeakPolarHBondContact O-CB 3.21Å; K198-A202 PolarHBondContact O-N 2.94Å
199	E	73.9	Confident	61.6	Low	115 Å²	115	123.6 Å²	123.6	54%	0.537	64%	0.641	S	S	.	*	H	α-helix	trans	-72.9	-45.6	176.8	-71.8	170.8	-175.7	0	0	111	Q195 E196 L201 A202 E203	Q195-E199 PolarHBondContact O-N 3.45Å; Q195-E199 VanDerWaalsContact O-N 3.15Å; E196-E199 PolarHBondContact O-N 3.22Å; E199-L201 PolarHBondContact O-N 3.03Å; E199-A202 WeakPolarHBondContact O-CA 3.48Å; E199-A202 WeakPolarHBondContact O-CB 3.41Å; E199-A202 PolarHBondContact O-N 2.78Å; E199-E203 PolarHBondContact O-N 2.92Å; E199-E203 VanDerWaalsContact O-N 3.11Å
200	T	68	Low	62.1	Low	78 Å²	78	123.2 Å²	123.2	48%	0.479	64%	0.639	S	S	.	*	H	α-helix	trans	-63	-36.6	174.9	49.7	0	0	0	0	113.2	E196 T197 A202 E203 L204	E196-T200 WeakPolarHBondContact O-CG2 3.41Å; E196-T200 PolarHBondContact O-N 3.04Å; E196-T200 VanDerWaalsContact O-N 3.15Å; E196-T200 PolarHBondContact O-OG1 2.81Å; E196-T200 VanDerWaalsContact O-OG1 3.04Å; T197-T200 VanDerWaalsContact CA-OG1 3.3Å; T197-T200 WeakPolarHBondContact CA-OG1 3.44Å; T197-T200 PolarHBondContact O-OG1 2.89Å; T197-T200 VanDerWaalsContact O-OG1 3.11Å; T200-A202 VanDerWaalsContact C-N 3.3Å; T200-A202 PolarHBondContact O-N 2.63Å; T200-E203 PolarHBondContact O-N 2.95Å; T200-L204 PolarHBondContact O-N 3.18Å
201	L	60.7	Low	62.2	Low	102 Å²	102	121.6 Å²	121.6	53%	0.534	64%	0.636	S	S	.	*	H	α-helix	trans	-70.5	-23	172.1	-106.7	145.8	0	0	0	113.9	L193 T197 E199	L193-L201 HydrophobicContact CD2-CD1 3.36Å; T197-L201 WeakPolarHBondContact O-CB 3.46Å; T197-L201 PolarHBondContact O-N 3.49Å; T197-L201 VanDerWaalsContact O-N 3.14Å; E199-L201 PolarHBondContact O-N 3.03Å
202	A	68.2	Low	61.9	Low	74 Å²	74	118.8 Å²	118.8	61%	0.612	63%	0.634	S	S	*	*	H	α-helix	trans	-78.9	-25.4	174.5	0	0	0	0	0	112.3	K198 E199 T200	K198-A202 WeakPolarHBondContact O-CB 3.21Å; K198-A202 PolarHBondContact O-N 2.94Å; E199-A202 WeakPolarHBondContact O-CA 3.48Å; E199-A202 WeakPolarHBondContact O-CB 3.41Å; E199-A202 PolarHBondContact O-N 2.78Å; T200-A202 VanDerWaalsContact C-N 3.3Å; T200-A202 PolarHBondContact O-N 2.63Å
203	E	71.3	Confident	62	Low	164 Å²	164	122.8 Å²	122.8	77%	0.766	64%	0.635	S	S	*	*	H	α-helix	trans	-81.7	-20.8	174.9	-69.6	-179.1	172	0	0	113.5	E199 T200	E199-E203 PolarHBondContact O-N 2.92Å; E199-E203 VanDerWaalsContact O-N 3.11Å; T200-E203 PolarHBondContact O-N 2.95Å
204	L	66.3	Low	61.7	Low	111 Å²	111	125.6 Å²	125.6	58%	0.581	65%	0.648	S	S	*	*	S	Bend	trans	-71	131.2	175.3	-74.2	171.3	0	0	0	111	T200 K206	T200-L204 PolarHBondContact O-N 3.18Å; L204-K206 PolarHBondContact O-N 3.43Å
205	P	60.4	Low	60.6	Low	101 Å²	101	128.7 Å²	128.7	66%	0.656	65%	0.651	S	S	*	*			trans	-58.6	128.1	179.9	22	-31.1	0	0	0	110.7	E207	P205-E207 PolarHBondContact O-N 3.23Å
206	K	58.7	Low	58.7	Low	198 Å²	198	127.7 Å²	127.7	86%	0.861	66%	0.661	S	S	*	*			trans	-71.8	38.9	-178.6	-66.8	176.9	-180	169.9	0	113.3	L204 I208	L204-K206 PolarHBondContact O-N 3.43Å; K206-I208 VanDerWaalsContact C-N 3.35Å; K206-I208 PolarHBondContact O-N 3.17Å
207	E	47.8	Very low	57.3	Low	173 Å²	173	125.7 Å²	125.7	81%	0.808	66%	0.66	S	S	*	*			trans	-95.1	68.8	-179.6	-64.7	-170.4	-176	0	0	109.9	P205	P205-E207 PolarHBondContact O-N 3.23Å
208	I	57.1	Low	56	Low	144 Å²	144	134.2 Å²	134.2	74%	0.738	69%	0.685	S	S	*	*			trans	-125.3	109.3	157.3	-54	174.7	0	0	0	105.9	K206 V210	K206-I208 VanDerWaalsContact C-N 3.35Å; K206-I208 PolarHBondContact O-N 3.17Å; I208-V210 PolarHBondContact O-N 3.13Å
209	P	56.2	Low	54.5	Low	121 Å²	121	134.3 Å²	134.3	79%	0.786	69%	0.685	S	S	*	*			trans	-66.3	107.9	178.3	25.6	-31.3	0	0	0	109.2	P211	P209-P211 WeakPolarHBondContact O-CD 3.49Å
210	V	55	Low	52.6	Low	103 Å²	103	135 Å²	135	62%	0.624	69%	0.692	S	S	*	*			trans	-68.7	125.1	168.6	-177.6	0	0	0	0	107.4	I208 D212	I208-V210 PolarHBondContact O-N 3.13Å; V210-D212 PolarHBondContact O-N 3.02Å
211	P	48.6	Very low	51.3	Low	71 Å²	71	136.5 Å²	136.5	46%	0.461	71%	0.706	S	S	.	*			trans	-59.2	126	-179.9	-26.1	35.3	0	0	0	112.4	P209 Y213 M214	P209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-Y213 HydrophobicContact CB-CD1 3.53Å; P211-Y213 HydrophobicContact CB-CE1 3.2Å; P211-Y213 HydrophobicContact CG-CE1 4.1Å; P211-Y213 PolarHBondContact O-N 2.79Å; P211-M214 PolarHBondContact O-N 2.99Å
212	D	46	Very low	50.3	Low	126 Å²	126	138.1 Å²	138.1	67%	0.674	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-6.1	-172.4	-122.9	24.2	0	0	0	116.5	V210 K219	V210-D212 PolarHBondContact O-N 3.02Å; D212-K219 WeakPolarHBondContact OD2-CE 3.48Å; D212-K219 IonicContact OD2-NZ 2.74Å; D212-K219 PolarHBondContact OD2-NZ 2.91Å
213	Y	56.1	Low	49.1	Very low	188 Å²	188	141.4 Å²	141.4	74%	0.737	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-6.1	-174.4	66.6	-98.3	0	0	0	114.2	P211	P211-Y213 HydrophobicContact CB-CD1 3.53Å; P211-Y213 HydrophobicContact CB-CE1 3.2Å; P211-Y213 HydrophobicContact CG-CE1 4.1Å; P211-Y213 PolarHBondContact O-N 2.79Å
214	M	49.7	Very low	47.9	Very low	128 Å²	128	136.1 Å²	136.1	63%	0.631	70%	0.701	S	S	*	*	S	Bend	trans	-84.3	-7.5	-173.8	-101.1	-173.9	82.3	0	0	115.8	P211	P211-M214 PolarHBondContact O-N 2.99Å
215	Y	50	Low	47.3	Very low	190 Å²	190	134.7 Å²	134.7	75%	0.745	71%	0.713	S	S	*	*	S	Bend	trans	-121.2	98.8	174.8	-65	-77.5	0	0	0	110.6	T217	Y215-T217 PolarHBondContact O-N 2.94Å
216	S	37	Very low	47.5	Very low	127 Å²	127	134.2 Å²	134.2	89%	0.888	70%	0.701	S	S	*	*			trans	-72.3	77.3	170.7	60.3	0	0	0	0	111
217	T	40.3	Very low	48.1	Very low	116 Å²	116	133.1 Å²	133.1	71%	0.712	70%	0.696	S	S	*	*	S	Bend	trans	-106.7	127.8	142.4	35.2	0	0	0	0	105	Y215 K219	Y215-T217 PolarHBondContact O-N 2.94Å; T217-K219 PolarHBondContact O-N 2.84Å
218	R	37.6	Very low	49.5	Very low	239 Å²	239	131.1 Å²	131.1	90%	0.902	68%	0.681	S	S	*	*			trans	-34.4	115.7	170.9	-87.9	-177.9	-98.9	179.7	-6.4	107.9	N220	R218-N220 PolarHBondContact O-N 2.81Å
219	K	35.6	Very low	50.6	Low	151 Å²	151	127.4 Å²	127.4	66%	0.657	66%	0.663	S	S	*	*			trans	-53.1	103.2	167.5	-85.8	-173.6	172.1	-171.4	0	104.5	D212 T217 S221	D212-K219 WeakPolarHBondContact OD2-CE 3.48Å; D212-K219 IonicContact OD2-NZ 2.74Å; D212-K219 PolarHBondContact OD2-NZ 2.91Å; T217-K219 PolarHBondContact O-N 2.84Å; K219-S221 PolarHBondContact O-N 3.29Å; K219-S221 VanDerWaalsContact O-N 3.08Å
220	N	35.1	Very low	51.8	Low	129 Å²	129	126.2 Å²	126.2	69%	0.69	65%	0.653	S	S	*	*			trans	-47.6	121.6	155	-82.4	-17.9	0	0	0	103.5	R218 L222	R218-N220 PolarHBondContact O-N 2.81Å; N220-L222 PolarHBondContact O-N 2.67Å
221	S	39	Very low	53	Low	110 Å²	110	122.7 Å²	122.7	77%	0.769	63%	0.629	S	S	*	*	S	Bend	trans	-21.8	120.7	171.7	49.4	0	0	0	0	109.9	K219 D223	K219-S221 PolarHBondContact O-N 3.29Å; K219-S221 VanDerWaalsContact O-N 3.08Å; S221-D223 PolarHBondContact O-N 3.08Å
222	L	40.9	Very low	54.6	Low	137 Å²	137	119.5 Å²	119.5	72%	0.717	61%	0.608	S	S	*	*			trans	-31.9	114.1	-174.6	-70.9	87.6	0	0	0	110	N220 T224	N220-L222 PolarHBondContact O-N 2.67Å; L222-T224 HydrophobicContact CB-CG2 3.55Å; L222-T224 HydrophobicContact CD2-CG2 3.62Å; L222-T224 HydrophobicContact CG-CG2 4.24Å; L222-T224 PolarHBondContact O-N 3.42Å
223	D	42.2	Very low	56.4	Low	142 Å²	142	116 Å²	116	76%	0.759	59%	0.592	S	S	*	*			trans	-69.6	67.2	151.2	-138	0.4	0	0	0	104.7	S221 G225	S221-D223 PolarHBondContact O-N 3.08Å; D223-G225 PolarHBondContact O-N 3.44Å; D223-G225 VanDerWaalsContact O-N 3.15Å
224	T	47	Very low	57.8	Low	53 Å²	53	107.4 Å²	107.4	33%	0.325	56%	0.56	S	S	.	*			trans	-53.6	123.4	158.3	56.2	0	0	0	0	102.5	L222 K226	L222-T224 HydrophobicContact CB-CG2 3.55Å; L222-T224 HydrophobicContact CD2-CG2 3.62Å; L222-T224 HydrophobicContact CG-CG2 4.24Å; L222-T224 PolarHBondContact O-N 3.42Å; T224-K226 PolarHBondContact O-N 3.15Å; T224-K226 VanDerWaalsContact OG1-CD 3.31Å; T224-K226 WeakPolarHBondContact OG1-CD 3.38Å; T224-K226 WeakPolarHBondContact OG1-CG 3.44Å
225	G	54.1	Low	59.6	Low	81 Å²	81	108.6 Å²	108.6	84%	0.835	57%	0.574	S	S	*	*			trans	-61.4	26.6	178.5	0	0	0	0	0	114.6	D223 K227	D223-G225 PolarHBondContact O-N 3.44Å; D223-G225 VanDerWaalsContact O-N 3.15Å; G225-K227 PolarHBondContact O-N 2.91Å
226	K	63.2	Low	61.3	Low	92 Å²	92	106.1 Å²	106.1	40%	0.4	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-60	119.4	170.5	-69.1	-176	-171.5	-173.8	0	108.4	T224 D263	T224-K226 PolarHBondContact O-N 3.15Å; T224-K226 VanDerWaalsContact OG1-CD 3.31Å; T224-K226 WeakPolarHBondContact OG1-CD 3.38Å; T224-K226 WeakPolarHBondContact OG1-CG 3.44Å; K226-D263 WeakPolarHBondContact CE-OD2 3.44Å; K226-D263 IonicContact NZ-OD2 3.15Å; K226-D263 PolarHBondContact NZ-OD2 3.22Å
227	K	71.6	Confident	63.7	Low	175 Å²	175	102.7 Å²	102.7	76%	0.761	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-70.7	144.4	172.2	-64.1	179.6	-179.2	177.4	0	108.9	G225 N232	G225-K227 PolarHBondContact O-N 2.91Å; K227-N232 PolarHBondContact O-ND2 2.77Å; K227-N232 VanDerWaalsContact O-ND2 3.11Å
228	R	77.2	Confident	65.9	Low	131 Å²	131	100.1 Å²	100.1	49%	0.494	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-75.1	125.5	173.9	-173.9	-169.2	73	-161	4.5	109.5	N232 T233 P258 I260	R228-N232 WeakPolarHBondContact CA-OD1 3.43Å; R228-T233 WeakPolarHBondContact CG-OG1 3.27Å; R228-P258 VanDerWaalsContact NH1-CD 3.3Å; R228-P258 VanDerWaalsContact NH1-CG 3.31Å; R228-I260 HydrophobicContact CB-CD1 4.28Å; R228-I260 HydrophobicContact CB-CG1 4.19Å; R228-I260 HydrophobicContact CG-CG1 4.4Å
229	D	79.6	Confident	68.3	Low	66 Å²	66	90.1 Å²	90.1	35%	0.353	50%	0.496	S	S	.	.			trans	-115.9	169.8	175.5	-64	-9.9	0	0	0	110.4	F231 N232 T233	D229-F231 PolarHBondContact O-N 3.41Å; D229-N232 PolarHBondContact N-OD1 3.46Å; D229-N232 PolarHBondContact O-N 3.48Å; D229-N232 PolarHBondContact O-OD1 3.26Å; D229-T233 PolarHBondContact O-N 2.95Å; D229-T233 PolarHBondContact O-OG1 2.8Å
230	V	81.6	Confident	70.7	Confident	96 Å²	96	89.4 Å²	89.4	58%	0.582	49%	0.489	S	S	*	.	S	Bend	trans	-57.3	-33.9	177.4	-177.2	0	0	0	0	111.7
231	F	80.1	Confident	73.2	Confident	28 Å²	28	84.3 Å²	84.3	12%	0.123	47%	0.465	C	S	.	.	S	Bend	trans	-79	-34.2	-176.2	-57.1	-78.4	0	0	0	114.5	D229 V266 L439 E442 R443 Y446	D229-F231 PolarHBondContact O-N 3.41Å; F231-V266 HydrophobicContact CB-CG1 4.24Å; F231-L439 HydrophobicContact CD1-CD2 4.43Å; F231-E442 HydrophobicContact CE1-CB 4.23Å; F231-E442 VanDerWaalsContact CE1-OE2 3.24Å; F231-E442 WeakPolarHBondContact CE1-OE2 3.48Å; F231-E442 HydrophobicContact CE2-CB 4.42Å; F231-E442 HydrophobicContact CZ-CB 3.69Å; F231-R443 HydrophobicContact CD2-CG 3.81Å; F231-R443 HydrophobicContact CE2-CG 3.92Å; F231-Y446 HydrophobicContact CE1-CE2 4.25Å; F231-Y446 AromaticContact CE2-CD2 3.67Å; F231-Y446 HydrophobicContact CE2-CD2 3.67Å; F231-Y446 HydrophobicContact CE2-CE2 4.11Å; F231-Y446 HydrophobicContact CE2-CG 4.34Å; F231-Y446 AromaticContact CZ-CD2 3.4Å; F231-Y446 HydrophobicContact CZ-CD2 3.4Å; F231-Y446 AromaticContact CZ-CE2 3.43Å; F231-Y446 HydrophobicContact CZ-CE2 3.43Å; F231-Y446 VanDerWaalsContact CZ-CE2 3.43Å; F231-Y446 HydrophobicContact CZ-CG 4.43Å
232	N	83.2	Confident	75.5	Confident	4 Å²	4	82.1 Å²	82.1	2%	0.021	45%	0.453	C	S	.	.	S	Bend	trans	-100.1	12.5	-176.2	70.5	8.9	0	0	0	112.5	K227 R228 D229 A234 I260 L261 V266	K227-N232 PolarHBondContact O-ND2 2.77Å; K227-N232 VanDerWaalsContact O-ND2 3.11Å; R228-N232 WeakPolarHBondContact CA-OD1 3.43Å; D229-N232 PolarHBondContact N-OD1 3.46Å; D229-N232 PolarHBondContact O-N 3.48Å; D229-N232 PolarHBondContact O-OD1 3.26Å; N232-A234 PolarHBondContact O-N 3.15Å; N232-I260 HydrophobicContact CB-CG2 4.28Å; N232-I260 CarbonylContact O-C 3.59Å; N232-I260 WeakPolarHBondContact O-CA 3.46Å; N232-L261 PolarHBondContact O-N 2.86Å; N232-V266 HydrophobicContact CB-CG2 4.19Å
233	T	84.2	Confident	77.8	Confident	54 Å²	54	77.2 Å²	77.2	33%	0.331	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.7	177.1	-63.8	0	0	0	0	110.3	R228 D229 P258	R228-T233 WeakPolarHBondContact CG-OG1 3.27Å; D229-T233 PolarHBondContact O-N 2.95Å; D229-T233 PolarHBondContact O-OG1 2.8Å; T233-P258 HydrophobicContact CG2-CB 3.75Å; T233-P258 HydrophobicContact CG2-CG 3.76Å
234	A	85.6	Confident	80	Confident	7 Å²	7	71.2 Å²	71.2	6%	0.058	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	156.2	175	0	0	0	0	0	112	N232 Y236 P258 A259 L261	N232-A234 PolarHBondContact O-N 3.15Å; A234-Y236 VanDerWaalsContact C-N 3.27Å; A234-Y236 HydrophobicContact CB-CD1 3.95Å; A234-Y236 HydrophobicContact CB-CD2 4.49Å; A234-Y236 HydrophobicContact CB-CE1 3.78Å; A234-Y236 HydrophobicContact CB-CE2 4.35Å; A234-Y236 HydrophobicContact CB-CG 4.3Å; A234-P258 WeakPolarHBondContact O-CB 3.02Å; A234-A259 HydrophobicContact CB-CB 3.9Å; A234-A259 WeakPolarHBondContact CB-O 3.41Å; A234-A259 PolarHBondContact N-O 3.2Å; A234-L261 HydrophobicContact CB-CD2 3.74Å; A234-L261 HydrophobicContact CB-CG 3.86Å
235	T	86.1	Confident	82	Confident	152 Å²	152	76 Å²	76	93%	0.933	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	-14.3	172.7	51.2	0	0	0	0	113.3
236	Y	86	Confident	83.6	Confident	138 Å²	138	77.8 Å²	77.8	54%	0.541	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	155.2	178.5	60.2	-91.9	0	0	0	111.3	A234 A259 L261	A234-Y236 VanDerWaalsContact C-N 3.27Å; A234-Y236 HydrophobicContact CB-CD1 3.95Å; A234-Y236 HydrophobicContact CB-CD2 4.49Å; A234-Y236 HydrophobicContact CB-CE1 3.78Å; A234-Y236 HydrophobicContact CB-CE2 4.35Å; A234-Y236 HydrophobicContact CB-CG 4.3Å; Y236-A259 HydrophobicContact CD2-CB 3.71Å; Y236-A259 HydrophobicContact CE2-CB 3.4Å; Y236-A259 VanDerWaalsContact CE2-CB 3.4Å; Y236-A259 PolarHBondContact O-N 3.29Å; Y236-L261 HydrophobicContact CE1-CD2 4.38Å
237	S	87.7	Confident	84.6	Confident	56 Å²	56	75.4 Å²	75.4	39%	0.392	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	158.9	-179.3	75.2	0	0	0	0	113	G239 E257	S237-G239 PolarHBondContact O-N 3.42Å; S237-G239 VanDerWaalsContact O-N 3.09Å; S237-G239 PolarHBondContact OG-N 3.33Å; S237-E257 CarbonylContact C-O 3.6Å; S237-E257 VanDerWaalsContact CA-O 3.31Å; S237-E257 WeakPolarHBondContact CA-O 3.45Å
238	T	86.9	Confident	85.2	Confident	61 Å²	61	74.1 Å²	74.1	37%	0.374	42%	0.422	S	S	.	.			trans	-61.4	-13.5	171.4	59.1	0	0	0	0	113.7	R240 E257 A259	T238-R240 PolarHBondContact O-N 2.69Å; T238-E257 HydrophobicContact CG2-CB 4.45Å; T238-E257 PolarHBondContact N-O 3.21Å; T238-E257 PolarHBondContact OG1-O 3.35Å; T238-A259 HydrophobicContact CG2-CB 4.26Å
239	G	87.6	Confident	85.6	Confident	29 Å²	29	74.2 Å²	74.2	30%	0.299	44%	0.436	S	S	.	.	S	Bend	trans	73.7	-2.9	-176.5	0	0	0	0	0	114.5	S237 A241 A242 A243	S237-G239 PolarHBondContact O-N 3.42Å; S237-G239 VanDerWaalsContact O-N 3.09Å; S237-G239 PolarHBondContact OG-N 3.33Å; G239-A241 PolarHBondContact O-N 3.39Å; G239-A242 PolarHBondContact O-N 3.03Å; G239-A243 WeakPolarHBondContact O-CB 3.36Å; G239-A243 PolarHBondContact O-N 3.34Å
240	R	86.5	Confident	85.6	Confident	136 Å²	136	75.3 Å²	75.3	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-62.1	-40.8	-176.8	-66.9	-175.5	93.2	121.7	-3	113.1	T238 A242 A243 S244	T238-R240 PolarHBondContact O-N 2.69Å; R240-A242 PolarHBondContact O-N 2.67Å; R240-A243 PolarHBondContact O-N 3.05Å; R240-S244 VanDerWaalsContact O-CB 3.32Å; R240-S244 WeakPolarHBondContact O-CB 3.48Å; R240-S244 PolarHBondContact O-N 2.94Å; R240-S244 PolarHBondContact O-OG 3.02Å
241	A	87.3	Confident	85.8	Confident	22 Å²	22	78.8 Å²	78.8	18%	0.182	45%	0.451	C	S	.	.	H	α-helix	trans	-59.5	-48.2	176.4	0	0	0	0	0	111.4	G239 S244 L245 V253 I256	G239-A241 PolarHBondContact O-N 3.39Å; A241-S244 PolarHBondContact O-N 3.42Å; A241-S244 PolarHBondContact O-OG 3.43Å; A241-L245 PolarHBondContact O-N 3.42Å; A241-V253 WeakPolarHBondContact CA-O 3.47Å; A241-V253 WeakPolarHBondContact CB-O 3.34Å; A241-I256 HydrophobicContact CB-CG1 4.15Å
242	A	87.6	Confident	86.1	Confident	64 Å²	64	83 Å²	83	53%	0.529	48%	0.48	S	S	.	.	H	α-helix	trans	-65.6	-42.3	176.5	0	0	0	0	0	112.6	G239 R240 S244 L245 T246	G239-A242 PolarHBondContact O-N 3.03Å; R240-A242 PolarHBondContact O-N 2.67Å; A242-S244 VanDerWaalsContact C-N 3.33Å; A242-S244 PolarHBondContact O-N 3.06Å; A242-L245 WeakPolarHBondContact O-CB 3.08Å; A242-L245 PolarHBondContact O-N 3.37Å; A242-T246 PolarHBondContact O-N 3.41Å; A242-T246 PolarHBondContact O-OG1 2.95Å
243	A	87.9	Confident	86.2	Confident	34 Å²	34	85.2 Å²	85.2	28%	0.281	49%	0.494	S	S	.	.	H	α-helix	trans	-61.1	-42.7	177	0	0	0	0	0	111.5	G239 R240 L245 T246 S247 M250	G239-A243 WeakPolarHBondContact O-CB 3.36Å; G239-A243 PolarHBondContact O-N 3.34Å; R240-A243 PolarHBondContact O-N 3.05Å; A243-L245 VanDerWaalsContact C-N 3.28Å; A243-L245 PolarHBondContact O-N 2.77Å; A243-T246 PolarHBondContact O-N 2.98Å; A243-T246 VanDerWaalsContact O-N 3.13Å; A243-T246 PolarHBondContact O-OG1 2.97Å; A243-T246 VanDerWaalsContact O-OG1 3.05Å; A243-S247 VanDerWaalsContact O-CB 3.31Å; A243-S247 WeakPolarHBondContact O-CB 3.49Å; A243-S247 PolarHBondContact O-N 3.21Å; A243-M250 HydrophobicContact CB-SD 4.11Å
244	S	89.5	Confident	86.4	Confident	17 Å²	17	88.9 Å²	88.9	12%	0.119	52%	0.516	C	S	.	.	H	α-helix	trans	-66.3	-27.9	178.3	77.9	0	0	0	0	113.5	R240 A241 A242 E251 V253	R240-S244 VanDerWaalsContact O-CB 3.32Å; R240-S244 WeakPolarHBondContact O-CB 3.48Å; R240-S244 PolarHBondContact O-N 2.94Å; R240-S244 PolarHBondContact O-OG 3.02Å; A241-S244 PolarHBondContact O-N 3.42Å; A241-S244 PolarHBondContact O-OG 3.43Å; A242-S244 VanDerWaalsContact C-N 3.33Å; A242-S244 PolarHBondContact O-N 3.06Å; S244-E251 VanDerWaalsContact CB-O 3.28Å; S244-E251 WeakPolarHBondContact CB-O 3.35Å; S244-V253 PolarHBondContact OG-N 3.1Å; S244-V253 PolarHBondContact OG-O 2.88Å
245	L	88.3	Confident	86.5	Confident	153 Å²	153	95.9 Å²	95.9	80%	0.801	55%	0.546	S	S	*	.	H	α-helix	trans	-69.1	-35.6	173.1	-168.4	86.1	0	0	0	111.7	A241 A242 A243	A241-L245 PolarHBondContact O-N 3.42Å; A242-L245 WeakPolarHBondContact O-CB 3.08Å; A242-L245 PolarHBondContact O-N 3.37Å; A243-L245 VanDerWaalsContact C-N 3.28Å; A243-L245 PolarHBondContact O-N 2.77Å
246	T	88.3	Confident	86.6	Confident	119 Å²	119	94.9 Å²	94.9	73%	0.73	53%	0.533	S	S	*	.	H	α-helix	trans	-95.5	-13.8	-173.3	58.9	0	0	0	0	114.7	A242 A243	A242-T246 PolarHBondContact O-N 3.41Å; A242-T246 PolarHBondContact O-OG1 2.95Å; A243-T246 PolarHBondContact O-N 2.98Å; A243-T246 VanDerWaalsContact O-N 3.13Å; A243-T246 PolarHBondContact O-OG1 2.97Å; A243-T246 VanDerWaalsContact O-OG1 3.05Å
247	S	84	Confident	86.5	Confident	42 Å²	42	93 Å²	93	29%	0.294	53%	0.529	S	S	.	.			trans	-117.5	123.9	-173.6	-178.5	0	0	0	0	111.7	A243 V249	A243-S247 VanDerWaalsContact O-CB 3.31Å; A243-S247 WeakPolarHBondContact O-CB 3.49Å; A243-S247 PolarHBondContact O-N 3.21Å; S247-V249 PolarHBondContact O-N 2.85Å; S247-V249 PolarHBondContact OG-N 2.93Å
248	T	83.7	Confident	86.5	Confident	148 Å²	148	92 Å²	92	91%	0.908	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.7	175.6	57.2	0	0	0	0	113.7
249	V	85.8	Confident	86.4	Confident	132 Å²	132	89.6 Å²	89.6	80%	0.8	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-15.5	-175	-175.2	0	0	0	0	112	S247	S247-V249 PolarHBondContact O-N 2.85Å; S247-V249 PolarHBondContact OG-N 2.93Å
250	M	80.7	Confident	86.3	Confident	90 Å²	90	91.4 Å²	91.4	44%	0.443	51%	0.51	S	S	.	.	S	Bend	trans	-98.7	149.4	-177.6	-71.1	-172.5	138.2	0	0	111.7	A243	A243-M250 HydrophobicContact CB-SD 4.11Å
251	E	85.8	Confident	86.2	Confident	169 Å²	169	87 Å²	87	79%	0.79	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-63.2	135	170.2	-67.6	-178.9	169.3	0	0	110.2	S244 V253	S244-E251 VanDerWaalsContact CB-O 3.28Å; S244-E251 WeakPolarHBondContact CB-O 3.35Å; E251-V253 PolarHBondContact O-N 3.46Å
252	P	84.8	Confident	85.9	Confident	115 Å²	115	92.5 Å²	92.5	75%	0.747	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-65.6	119	179.8	24.6	-31.8	0	0	0	110.6
253	V	86.2	Confident	85.5	Confident	51 Å²	51	91.3 Å²	91.3	31%	0.309	50%	0.503	S	S	.	.			trans	-110.7	117.6	177.9	-179.7	0	0	0	0	109.1	A241 S244 E251	A241-V253 WeakPolarHBondContact CA-O 3.47Å; A241-V253 WeakPolarHBondContact CB-O 3.34Å; S244-V253 PolarHBondContact OG-N 3.1Å; S244-V253 PolarHBondContact OG-O 2.88Å; E251-V253 PolarHBondContact O-N 3.46Å
254	T	87.7	Confident	85.2	Confident	131 Å²	131	91.4 Å²	91.4	80%	0.804	50%	0.499	S	S	*	.			trans	-93.4	-18.6	-179.2	54.9	0	0	0	0	113.7
255	K	88.4	Confident	84.9	Confident	154 Å²	154	94.3 Å²	94.3	67%	0.67	52%	0.516	S	S	*	.	S	Bend	trans	-90.9	124	-178.6	-65.1	-177.8	-178.7	177.1	0	110.5	E257	K255-E257 PolarHBondContact O-N 3.5Å
256	I	87.1	Confident	84.6	Confident	132 Å²	132	87.3 Å²	87.3	68%	0.677	48%	0.479	S	S	*	.			trans	-79	111.6	172	-59.6	172.2	0	0	0	107.7	A241	A241-I256 HydrophobicContact CB-CG1 4.15Å
257	E	85.5	Confident	84.4	Confident	97 Å²	97	82.7 Å²	82.7	45%	0.453	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-100.5	129.1	176.4	-66.1	-176.9	165.3	0	0	110.3	S237 T238 K255	S237-E257 CarbonylContact C-O 3.6Å; S237-E257 VanDerWaalsContact CA-O 3.31Å; S237-E257 WeakPolarHBondContact CA-O 3.45Å; T238-E257 HydrophobicContact CG2-CB 4.45Å; T238-E257 PolarHBondContact N-O 3.21Å; T238-E257 PolarHBondContact OG1-O 3.35Å; K255-E257 PolarHBondContact O-N 3.5Å
258	P	86.8	Confident	84.5	Confident	35 Å²	35	82.7 Å²	82.7	23%	0.227	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	142.2	169.4	26.8	-35.1	0	0	0	110.1	R228 T233 A234	R228-P258 VanDerWaalsContact NH1-CD 3.3Å; R228-P258 VanDerWaalsContact NH1-CG 3.31Å; T233-P258 HydrophobicContact CG2-CB 3.75Å; T233-P258 HydrophobicContact CG2-CG 3.76Å; A234-P258 WeakPolarHBondContact O-CB 3.02Å
259	A	85.1	Confident	84.6	Confident	11 Å²	11	83.5 Å²	83.5	9%	0.091	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	156	176	0	0	0	0	0	111.2	A234 Y236 T238	A234-A259 HydrophobicContact CB-CB 3.9Å; A234-A259 WeakPolarHBondContact CB-O 3.41Å; A234-A259 PolarHBondContact N-O 3.2Å; Y236-A259 HydrophobicContact CD2-CB 3.71Å; Y236-A259 HydrophobicContact CE2-CB 3.4Å; Y236-A259 VanDerWaalsContact CE2-CB 3.4Å; Y236-A259 PolarHBondContact O-N 3.29Å; T238-A259 HydrophobicContact CG2-CB 4.26Å
260	I	85.3	Confident	84.5	Confident	68 Å²	68	81 Å²	81	35%	0.349	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.2	176.3	-58.4	174.7	0	0	0	107.4	R228 N232	R228-I260 HydrophobicContact CB-CD1 4.28Å; R228-I260 HydrophobicContact CB-CG1 4.19Å; R228-I260 HydrophobicContact CG-CG1 4.4Å; N232-I260 HydrophobicContact CB-CG2 4.28Å; N232-I260 CarbonylContact O-C 3.59Å; N232-I260 WeakPolarHBondContact O-CA 3.46Å
261	L	83.5	Confident	84.9	Confident	43 Å²	43	77.1 Å²	77.1	23%	0.225	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-71	140.1	172.3	-65.5	174.1	0	0	0	109.7	N232 A234 Y236 V266	N232-L261 PolarHBondContact O-N 2.86Å; A234-L261 HydrophobicContact CB-CD2 3.74Å; A234-L261 HydrophobicContact CB-CG 3.86Å; Y236-L261 HydrophobicContact CE1-CD2 4.38Å; L261-V266 HydrophobicContact CB-CG2 3.86Å; L261-V266 HydrophobicContact CD1-CG2 4.36Å
262	E	81.6	Confident	84.9	Confident	137 Å²	137	77.6 Å²	77.6	64%	0.64	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-62.3	143.3	171.2	-63.3	-179.4	173.8	0	0	110.3	D264 V265 V266	E262-D264 PolarHBondContact O-N 2.76Å; E262-V265 HydrophobicContact CB-CG2 4.29Å; E262-V265 PolarHBondContact O-N 2.81Å; E262-V266 PolarHBondContact O-N 2.8Å
263	D	79.9	Confident	85.2	Confident	39 Å²	39	77.9 Å²	77.9	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-57.5	-36.3	-176.5	-72.5	-52.9	0	0	0	111.6	K226 V265 V266 R267 R443	K226-D263 WeakPolarHBondContact CE-OD2 3.44Å; K226-D263 IonicContact NZ-OD2 3.15Å; K226-D263 PolarHBondContact NZ-OD2 3.22Å; D263-V265 VanDerWaalsContact C-N 3.34Å; D263-V265 PolarHBondContact O-N 2.97Å; D263-V266 PolarHBondContact O-N 3.34Å; D263-R267 WeakPolarHBondContact O-CB 3.41Å; D263-R267 WeakPolarHBondContact O-CG 3.37Å; D263-R267 PolarHBondContact O-N 3.02Å; D263-R443 IonicContact OD1-CZ 3.23Å; D263-R443 IonicContact OD1-NH1 3.43Å; D263-R443 IonicContact OD1-NH2 2.9Å; D263-R443 PolarHBondContact OD1-NH2 3.14Å
264	D	81.4	Confident	85.6	Confident	36 Å²	36	79.1 Å²	79.1	19%	0.193	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-44.2	177.9	-62.9	-3.7	0	0	0	111.6	E262 V266 R267 Y268	E262-D264 PolarHBondContact O-N 2.76Å; D264-V266 VanDerWaalsContact C-N 3.32Å; D264-V266 PolarHBondContact O-N 2.81Å; D264-R267 PolarHBondContact O-N 3.4Å; D264-R267 IonicContact OD1-CZ 2.79Å; D264-R267 IonicContact OD1-NE 3.17Å; D264-R267 IonicContact OD1-NH2 2.81Å; D264-R267 PolarHBondContact OD1-NH2 2.99Å; D264-Y268 HydrophobicContact CB-CE2 3.96Å; D264-Y268 WeakPolarHBondContact O-CB 3.42Å; D264-Y268 WeakPolarHBondContact O-CD1 3.46Å; D264-Y268 VanDerWaalsContact O-CD2 3.27Å; D264-Y268 WeakPolarHBondContact O-CD2 3.29Å; D264-Y268 PolarHBondContact O-N 2.65Å
265	V	82.2	Confident	85.9	Confident	78 Å²	78	72.9 Å²	72.9	47%	0.473	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-39.4	178.8	-179.6	0	0	0	0	111.1	E262 D263	E262-V265 HydrophobicContact CB-CG2 4.29Å; E262-V265 PolarHBondContact O-N 2.81Å; D263-V265 VanDerWaalsContact C-N 3.34Å; D263-V265 PolarHBondContact O-N 2.97Å
266	V	82.2	Confident	86.2	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-50	175.7	-179.6	0	0	0	0	109.7	F231 N232 L261 E262 D263 D264 Y268 K269 Y270	F231-V266 HydrophobicContact CB-CG1 4.24Å; N232-V266 HydrophobicContact CB-CG2 4.19Å; L261-V266 HydrophobicContact CB-CG2 3.86Å; L261-V266 HydrophobicContact CD1-CG2 4.36Å; E262-V266 PolarHBondContact O-N 2.8Å; D263-V266 PolarHBondContact O-N 3.34Å; D264-V266 VanDerWaalsContact C-N 3.32Å; D264-V266 PolarHBondContact O-N 2.81Å; V266-Y268 PolarHBondContact O-N 3.08Å; V266-K269 WeakPolarHBondContact O-CB 3.37Å; V266-K269 PolarHBondContact O-N 2.96Å; V266-Y270 HydrophobicContact CG1-CE2 4.14Å; V266-Y270 WeakPolarHBondContact O-CD2 3.44Å
267	R	84.3	Confident	86.7	Confident	23 Å²	23	63.6 Å²	63.6	9%	0.087	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-50	-179	-73	-170.7	-63.1	146.9	8.6	111.9	D263 D264 K269 Y270 V271 E300 D436 L439	D263-R267 WeakPolarHBondContact O-CB 3.41Å; D263-R267 WeakPolarHBondContact O-CG 3.37Å; D263-R267 PolarHBondContact O-N 3.02Å; D264-R267 PolarHBondContact O-N 3.4Å; D264-R267 IonicContact OD1-CZ 2.79Å; D264-R267 IonicContact OD1-NE 3.17Å; D264-R267 IonicContact OD1-NH2 2.81Å; D264-R267 PolarHBondContact OD1-NH2 2.99Å; R267-K269 PolarHBondContact O-N 3.25Å; R267-K269 VanDerWaalsContact O-N 3.12Å; R267-Y270 PolarHBondContact O-N 2.91Å; R267-V271 PolarHBondContact O-N 3.12Å; R267-E300 IonicContact CZ-OE1 3.97Å; R267-E300 VanDerWaalsContact CZ-OE1 3.25Å; R267-E300 IonicContact NH1-OE1 3.56Å; R267-E300 PolarHBondContact NH1-OE1 2.71Å; R267-E300 IonicContact NH2-OE1 2.7Å; R267-E300 PolarHBondContact NH2-OE1 3.21Å; R267-E300 IonicContact NH2-OE2 3.15Å; R267-E300 PolarHBondContact NH2-OE2 2.86Å; R267-D436 WeakPolarHBondContact CD-OD1 3.39Å; R267-D436 IonicContact NE-OD1 3.11Å; R267-D436 IonicContact NH1-OD1 3.03Å; R267-D436 IonicContact NH1-OD2 2.68Å; R267-D436 PolarHBondContact NH1-OD2 2.86Å; R267-L439 HydrophobicContact CG-CD1 3.8Å
268	Y	86.5	Confident	87.1	Confident	41 Å²	41	59 Å²	59	16%	0.161	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-26.3	-176.4	-62.2	-14.9	0	0	0	113.3	D264 V266 Y270 V271 P296 K297 E300 F432	D264-Y268 HydrophobicContact CB-CE2 3.96Å; D264-Y268 WeakPolarHBondContact O-CB 3.42Å; D264-Y268 WeakPolarHBondContact O-CD1 3.46Å; D264-Y268 VanDerWaalsContact O-CD2 3.27Å; D264-Y268 WeakPolarHBondContact O-CD2 3.29Å; D264-Y268 PolarHBondContact O-N 2.65Å; V266-Y268 PolarHBondContact O-N 3.08Å; Y268-Y270 PolarHBondContact O-N 3Å; Y268-V271 PolarHBondContact O-N 2.64Å; Y268-P296 HydrophobicContact CD1-CB 3.56Å; Y268-P296 HydrophobicContact CD1-CG 4.22Å; Y268-P296 HydrophobicContact CD2-CB 3.86Å; Y268-P296 HydrophobicContact CD2-CG 3.6Å; Y268-P296 HydrophobicContact CE1-CB 3.99Å; Y268-P296 HydrophobicContact CE2-CB 4.27Å; Y268-P296 HydrophobicContact CE2-CG 4.19Å; Y268-P296 HydrophobicContact CG-CB 3.48Å; Y268-P296 VanDerWaalsContact CG-CB 3.48Å; Y268-P296 HydrophobicContact CG-CG 3.62Å; Y268-K297 HydrophobicContact CE2-CB 4Å; Y268-K297 HydrophobicContact CE2-CG 4.48Å; Y268-E300 HydrophobicContact CE1-CB 4.5Å; Y268-E300 WeakPolarHBondContact CE1-OE2 3.33Å; Y268-E300 VanDerWaalsContact CZ-OE2 3.25Å; Y268-E300 PolarHBondContact OH-OE2 2.78Å; Y268-F432 HydrophobicContact CD1-CD1 4.5Å; Y268-F432 AromaticContact CD1-CE1 3.9Å; Y268-F432 HydrophobicContact CD1-CE1 3.9Å; Y268-F432 HydrophobicContact CE1-CD1 4.36Å; Y268-F432 AromaticContact CE1-CE1 3.8Å; Y268-F432 HydrophobicContact CE1-CE1 3.8Å
269	K	85	Confident	87.5	Confident	166 Å²	166	57.3 Å²	57.3	72%	0.722	26%	0.264	S	S	*	.	H	α-helix	trans	-64.6	-26.7	175.4	-168.4	178.4	178.1	-177.3	0	113.5	V266 R267	V266-K269 WeakPolarHBondContact O-CB 3.37Å; V266-K269 PolarHBondContact O-N 2.96Å; R267-K269 PolarHBondContact O-N 3.25Å; R267-K269 VanDerWaalsContact O-N 3.12Å
270	Y	85.3	Confident	88	Confident	80 Å²	80	58.1 Å²	58.1	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-95.2	-15.7	-178.6	-66.3	-89.6	0	0	0	113.1	V266 R267 Y268 K272 L439	V266-Y270 HydrophobicContact CG1-CE2 4.14Å; V266-Y270 WeakPolarHBondContact O-CD2 3.44Å; R267-Y270 PolarHBondContact O-N 2.91Å; Y268-Y270 PolarHBondContact O-N 3Å; Y270-K272 PolarHBondContact O-N 3.27Å; Y270-K272 VanDerWaalsContact O-N 3.14Å; Y270-L439 HydrophobicContact CD2-CD1 4.43Å; Y270-L439 HydrophobicContact CD2-CD2 4.05Å; Y270-L439 HydrophobicContact CE2-CD2 3.79Å
271	V	88.1	Confident	88.4	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.042	25%	0.253	C	S	.	.			trans	-73	106.3	178.6	-179.6	0	0	0	0	109.6	R267 Y268 C292 P431 F432 V435	R267-V271 PolarHBondContact O-N 3.12Å; Y268-V271 PolarHBondContact O-N 2.64Å; V271-C292 HydrophobicContact CG1-CB 3.81Å; V271-C292 WeakPolarHBondContact CG1-O 3.49Å; V271-P431 HydrophobicContact CG1-CB 4.24Å; V271-P431 HydrophobicContact CG1-CG 4.38Å; V271-F432 HydrophobicContact CG1-CE1 4.37Å; V271-F432 HydrophobicContact CG1-CZ 4.48Å; V271-F432 HydrophobicContact CG2-CD1 3.81Å; V271-F432 HydrophobicContact CG2-CE1 3.82Å; V271-V435 HydrophobicContact CG2-CB 4.43Å; V271-V435 HydrophobicContact CG2-CG2 3.92Å
272	K	87	Confident	88.8	Confident	179 Å²	179	55.9 Å²	55.9	78%	0.778	26%	0.261	S	S	*	.			trans	-118.7	-11.4	176.3	-64.8	-175.3	-179.7	-178.4	0	114	Y270	Y270-K272 PolarHBondContact O-N 3.27Å; Y270-K272 VanDerWaalsContact O-N 3.14Å
273	K	90.6	Very high	89.2	Confident	122 Å²	122	52.1 Å²	52.1	53%	0.53	24%	0.243	S	C	.	.	S	Bend	trans	-92.2	151.8	-178.9	-68.3	178.3	-174.7	177.1	0	109.5	P431 D434	K273-P431 HydrophobicContact CB-CB 3.99Å; K273-D434 IonicContact NZ-OD2 3.89Å; K273-D434 PolarHBondContact NZ-OD2 3.24Å
274	K	93.6	Very high	89.7	Confident	77 Å²	77	51.7 Å²	51.7	34%	0.335	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-79.4	154.6	168.8	-62.4	-173.8	-178.5	176.2	0	110.6	Y276 E289 L290	K274-Y276 HydrophobicContact CB-CE2 4.48Å; K274-E289 HydrophobicContact CB-CG 4.41Å; K274-E289 HydrophobicContact CD-CG 3.88Å; K274-E289 WeakPolarHBondContact CD-OE1 3.49Å; K274-E289 WeakPolarHBondContact CE-OE1 3.35Å; K274-E289 IonicContact NZ-OE1 2.74Å; K274-E289 PolarHBondContact NZ-OE1 2.83Å; K274-L290 WeakPolarHBondContact CA-O 3.37Å; K274-L290 WeakPolarHBondContact CB-O 3.38Å
275	G	94	Very high	90.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	153.6	173.3	0	0	0	0	0	111.8	L290 C292 V429	G275-L290 PolarHBondContact N-O 3.37Å; G275-L290 PolarHBondContact O-N 3.32Å; G275-C292 PolarHBondContact N-SG 3.47Å; G275-C292 VanDerWaalsContact N-SG 3.41Å; G275-V429 WeakPolarHBondContact CA-O 3.43Å
276	Y	96.1	Very high	90.9	Very high	90 Å²	90	51.4 Å²	51.4	35%	0.353	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.2	176.1	-72.4	-82.9	0	0	0	111	K274 L288 E289 Y428 V429	K274-Y276 HydrophobicContact CB-CE2 4.48Å; Y276-L288 WeakPolarHBondContact CA-O 3.26Å; Y276-E289 HydrophobicContact CD1-CB 4.19Å; Y276-E289 HydrophobicContact CD1-CG 4.45Å; Y276-E289 HydrophobicContact CE1-CB 3.73Å; Y276-E289 HydrophobicContact CE1-CG 3.72Å; Y276-E289 PolarHBondContact OH-OE2 2.89Å; Y276-Y428 PolarHBondContact O-N 3.32Å; Y276-V429 HydrophobicContact CD2-CB 4.07Å; Y276-V429 HydrophobicContact CD2-CG2 3.99Å; Y276-V429 PolarHBondContact N-O 2.64Å; Y276-V429 VanDerWaalsContact N-O 3.14Å; Y276-V429 PolarHBondContact O-N 3.34Å
277	V	96.1	Very high	91.5	Very high	1 Å²	1	54 Å²	54	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.5	-178.3	-177.9	0	0	0	0	109.8	L279 L288 L290 F302 L303 E426 V427	V277-L279 HydrophobicContact CG1-CD2 4.14Å; V277-L288 PolarHBondContact N-O 3.02Å; V277-L288 PolarHBondContact O-N 3.49Å; V277-L290 HydrophobicContact CG2-CD1 3.79Å; V277-F302 HydrophobicContact CB-CE1 4.26Å; V277-F302 HydrophobicContact CG1-CE1 4.14Å; V277-F302 HydrophobicContact CG2-CE1 4.21Å; V277-L303 HydrophobicContact CG2-CD2 3.37Å; V277-E426 CarbonylContact C-O 3.41Å; V277-E426 WeakPolarHBondContact CA-O 3.44Å; V277-V427 HydrophobicContact CG2-CG1 4.47Å; V277-V427 HydrophobicContact CG2-CG2 4.32Å
278	S	95.1	Very high	92.1	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.1	168.6	163.1	0	0	0	0	110.3	L286 N287 E426	S278-L286 CarbonylContact C-O 3.59Å; S278-L286 WeakPolarHBondContact CA-O 3.27Å; S278-N287 WeakPolarHBondContact CB-OD1 3.39Å; S278-N287 PolarHBondContact OG-OD1 2.92Å; S278-E426 PolarHBondContact N-O 2.77Å; S278-E426 PolarHBondContact O-N 3.39Å
279	L	95.4	Very high	92.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.1	169	-55.2	-179	0	0	0	108.5	V277 T281 K285 L286 L288 F302 F375 I422 C425	V277-L279 HydrophobicContact CG1-CD2 4.14Å; L279-T281 HydrophobicContact CB-CG2 4.3Å; L279-K285 WeakPolarHBondContact O-CA 3.4Å; L279-L286 HydrophobicContact CB-CB 4.34Å; L279-L286 HydrophobicContact CD1-CD2 4.43Å; L279-L286 PolarHBondContact N-O 2.93Å; L279-L286 PolarHBondContact O-N 3.38Å; L279-L288 HydrophobicContact CD1-CD1 3.83Å; L279-L288 HydrophobicContact CG-CD1 4.14Å; L279-F302 HydrophobicContact CD2-CZ 4.27Å; L279-F375 HydrophobicContact CD1-CE2 4.32Å; L279-F375 HydrophobicContact CD1-CZ 4.08Å; L279-I422 HydrophobicContact CD1-CD1 4.44Å; L279-C425 HydrophobicContact CD2-CB 4.21Å; L279-C425 WeakPolarHBondContact CD2-SG 3.45Å
280	V	94.6	Very high	93.1	Very high	27 Å²	27	44.6 Å²	44.6	16%	0.164	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115	172.5	-175.9	0	0	0	0	107.3	K285 I422 I423 N424 E426	V280-K285 HydrophobicContact CG2-CD 4.4Å; V280-K285 HydrophobicContact CG2-CG 4.34Å; V280-I422 CarbonylContact O-C 3.51Å; V280-I423 PolarHBondContact O-N 3.3Å; V280-N424 HydrophobicContact CB-CB 4.36Å; V280-N424 PolarHBondContact N-O 2.79Å; V280-N424 PolarHBondContact O-N 2.75Å; V280-E426 HydrophobicContact CG2-CG 4.37Å
281	T	94.2	Very high	93.6	Very high	6 Å²	6	42 Å²	42	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	168	-176.2	71.2	0	0	0	0	111.2	L279 H283 G284 F316 F401 Q421 I422	L279-T281 HydrophobicContact CB-CG2 4.3Å; T281-H283 PolarHBondContact O-N 3.32Å; T281-G284 PolarHBondContact N-O 3.31Å; T281-G284 PolarHBondContact O-N 3.22Å; T281-G284 PolarHBondContact OG1-N 2.88Å; T281-G284 PolarHBondContact OG1-O 2.87Å; T281-F316 HydrophobicContact CG2-CE2 4.36Å; T281-F401 HydrophobicContact CG2-CE2 4.27Å; T281-F401 HydrophobicContact CG2-CZ 3.86Å; T281-F401 WeakPolarHBondContact OG1-CE2 3.18Å; T281-F401 VanDerWaalsContact OG1-CZ 3.27Å; T281-F401 WeakPolarHBondContact OG1-CZ 3.35Å; T281-Q421 CarbonylContact C-O 3.52Å; T281-Q421 WeakPolarHBondContact CA-O 3.44Å; T281-Q421 VanDerWaalsContact CB-O 3.3Å; T281-Q421 WeakPolarHBondContact CB-O 3.36Å; T281-I422 HydrophobicContact CG2-CG1 4.22Å
282	S	92.1	Very high	93.9	Very high	58 Å²	58	41.7 Å²	41.7	41%	0.406	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32	177.3	53.3	0	0	0	0	114.1	Q421	S282-Q421 PolarHBondContact N-O 3.17Å; S282-Q421 PolarHBondContact OG-N 2.95Å
283	H	88.9	Confident	94.1	Very high	58 Å²	58	36.4 Å²	36.4	27%	0.269	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	5.2	-177.9	-59.5	-95.5	0	0	0	114.5	T281 F401 E418	T281-H283 PolarHBondContact O-N 3.32Å; H283-F401 HydrophobicContact CB-CD2 3.74Å; H283-F401 HydrophobicContact CB-CE2 3.76Å; H283-E418 IonicContact CE1-OE2 2.81Å
284	G	91.6	Very high	94.1	Very high	30 Å²	30	33.6 Å²	33.6	31%	0.309	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	146.7	-175.7	176.5	0	0	0	0	0	114.9	T281	T281-G284 PolarHBondContact N-O 3.31Å; T281-G284 PolarHBondContact O-N 3.22Å; T281-G284 PolarHBondContact OG1-N 2.88Å; T281-G284 PolarHBondContact OG1-O 2.87Å
285	K	93.4	Very high	94.1	Very high	109 Å²	109	30 Å²	30	47%	0.474	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.5	174.7	-62.9	-167	177	-159.7	0	110.6	L279 V280 G398 E426	L279-K285 WeakPolarHBondContact O-CA 3.4Å; V280-K285 HydrophobicContact CG2-CD 4.4Å; V280-K285 HydrophobicContact CG2-CG 4.34Å; K285-G398 WeakPolarHBondContact O-CA 3.13Å; K285-E426 IonicContact NZ-OE1 2.74Å; K285-E426 IonicContact NZ-OE2 3.74Å
286	L	94.6	Very high	94.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.5	176.9	-173.4	74.5	0	0	0	109.9	S278 L279 L288 I377 V395 F401 L402	S278-L286 CarbonylContact C-O 3.59Å; S278-L286 WeakPolarHBondContact CA-O 3.27Å; L279-L286 HydrophobicContact CB-CB 4.34Å; L279-L286 HydrophobicContact CD1-CD2 4.43Å; L279-L286 PolarHBondContact N-O 2.93Å; L279-L286 PolarHBondContact O-N 3.38Å; L286-L288 HydrophobicContact CD2-CD2 3.87Å; L286-L288 HydrophobicContact CG-CD2 3.92Å; L286-I377 HydrophobicContact CD2-CD1 3.39Å; L286-V395 HydrophobicContact CD1-CB 4.42Å; L286-V395 HydrophobicContact CD1-CG1 3.47Å; L286-V395 VanDerWaalsContact CD1-CG1 3.47Å; L286-V395 HydrophobicContact CD1-CG2 4.04Å; L286-V395 HydrophobicContact CD2-CG2 4.37Å; L286-V395 HydrophobicContact CG-CG1 4.32Å; L286-V395 HydrophobicContact CG-CG2 4.39Å; L286-F401 HydrophobicContact CB-CD1 4.36Å; L286-F401 HydrophobicContact CB-CE1 4.37Å; L286-F401 HydrophobicContact CD1-CD1 3.92Å; L286-F401 HydrophobicContact CD1-CE1 4.38Å; L286-F401 HydrophobicContact CD2-CE1 4.23Å; L286-L402 HydrophobicContact CD1-CD2 4.38Å; L286-L402 HydrophobicContact CD1-CG 4.22Å
287	N	95.9	Very high	94	Very high	60 Å²	60	29.6 Å²	29.6	32%	0.321	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.4	-178.5	-63.8	-10.7	0	0	0	110	S278 V395 V396 G397	S278-N287 WeakPolarHBondContact CB-OD1 3.39Å; S278-N287 PolarHBondContact OG-OD1 2.92Å; N287-V395 WeakPolarHBondContact O-CA 3.15Å; N287-V396 HydrophobicContact CB-CG2 3.97Å; N287-V396 WeakPolarHBondContact O-CG2 3.42Å; N287-V396 PolarHBondContact O-N 3.11Å; N287-G397 PolarHBondContact N-O 3.04Å; N287-G397 PolarHBondContact O-N 2.75Å
288	L	96.6	Very high	93.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.7	-177.2	-54.4	-175.4	0	0	0	110.4	Y276 V277 L279 L286 L290 F302 V361 V395	Y276-L288 WeakPolarHBondContact CA-O 3.26Å; V277-L288 PolarHBondContact N-O 3.02Å; V277-L288 PolarHBondContact O-N 3.49Å; L279-L288 HydrophobicContact CD1-CD1 3.83Å; L279-L288 HydrophobicContact CG-CD1 4.14Å; L286-L288 HydrophobicContact CD2-CD2 3.87Å; L286-L288 HydrophobicContact CG-CD2 3.92Å; L288-L290 HydrophobicContact CB-CD2 4.27Å; L288-F302 HydrophobicContact CD1-CE1 4.24Å; L288-F302 HydrophobicContact CD1-CZ 3.88Å; L288-V361 HydrophobicContact CD1-CG2 4.43Å; L288-V361 HydrophobicContact CD2-CG2 3.81Å; L288-V395 HydrophobicContact CD2-CB 4.25Å; L288-V395 HydrophobicContact CD2-CG2 3.51Å
289	E	96.2	Very high	93.9	Very high	32 Å²	32	29.6 Å²	29.6	15%	0.15	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125	165.6	179.8	178	134.2	0	0	108.6	K274 Y276 G393 K394 V396	K274-E289 HydrophobicContact CB-CG 4.41Å; K274-E289 HydrophobicContact CD-CG 3.88Å; K274-E289 WeakPolarHBondContact CD-OE1 3.49Å; K274-E289 WeakPolarHBondContact CE-OE1 3.35Å; K274-E289 IonicContact NZ-OE1 2.74Å; K274-E289 PolarHBondContact NZ-OE1 2.83Å; Y276-E289 HydrophobicContact CD1-CB 4.19Å; Y276-E289 HydrophobicContact CD1-CG 4.45Å; Y276-E289 HydrophobicContact CE1-CB 3.73Å; Y276-E289 HydrophobicContact CE1-CG 3.72Å; Y276-E289 PolarHBondContact OH-OE2 2.89Å; E289-G393 CarbonylContact O-C 3.58Å; E289-G393 WeakPolarHBondContact O-CA 3.28Å; E289-K394 PolarHBondContact N-O 3.33Å; E289-K394 PolarHBondContact O-N 2.84Å; E289-V396 HydrophobicContact CB-CG1 3.55Å; E289-V396 HydrophobicContact CB-CG2 4.31Å
290	L	96.7	Very high	93.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.5	-176.3	-53.8	-177.9	0	0	0	110.8	K274 G275 V277 L288 C292 F302 L303 F392	K274-L290 WeakPolarHBondContact CA-O 3.37Å; K274-L290 WeakPolarHBondContact CB-O 3.38Å; G275-L290 PolarHBondContact N-O 3.37Å; G275-L290 PolarHBondContact O-N 3.32Å; V277-L290 HydrophobicContact CG2-CD1 3.79Å; L288-L290 HydrophobicContact CB-CD2 4.27Å; L290-C292 PolarHBondContact O-N 3.02Å; L290-F302 HydrophobicContact CD1-CD1 3.71Å; L290-F302 HydrophobicContact CD1-CE1 4.22Å; L290-F302 HydrophobicContact CD2-CD1 4.26Å; L290-F302 HydrophobicContact CD2-CE1 4.35Å; L290-L303 HydrophobicContact CD1-CD1 4.31Å; L290-L303 HydrophobicContact CD1-CD2 3.89Å; L290-L303 HydrophobicContact CD1-CG 3.86Å; L290-F392 WeakPolarHBondContact CA-O 3.24Å; L290-F392 HydrophobicContact CD2-CD2 3.86Å; L290-F392 HydrophobicContact CD2-CE2 3.81Å
291	H	95.1	Very high	93.8	Very high	26 Å²	26	28.5 Å²	28.5	12%	0.12	15%	0.152	C	C	.	.			trans	-84.2	60.1	178.9	-65.8	-59	0	0	0	111.7	D293 L294 V295 C299 L353 F392	H291-D293 VanDerWaalsContact C-OD1 3.31Å; H291-D293 WeakPolarHBondContact CA-OD1 3.45Å; H291-D293 PolarHBondContact O-N 3.35Å; H291-L294 HydrophobicContact CB-CB 4.39Å; H291-L294 PolarHBondContact O-N 2.88Å; H291-L294 VanDerWaalsContact O-N 3.11Å; H291-V295 HydrophobicContact CB-CG2 4.31Å; H291-V295 WeakPolarHBondContact O-CG2 3.3Å; H291-V295 PolarHBondContact O-N 3.37Å; H291-C299 VanDerWaalsContact C-SG 3.58Å; H291-L353 HydrophobicContact CB-CD1 4.24Å; H291-F392 PolarHBondContact N-O 2.58Å
292	C	93.1	Very high	93.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	-178	-56.3	0	0	0	0	113.6	V271 G275 L290 P296 C299 P431 F432	V271-C292 HydrophobicContact CG1-CB 3.81Å; V271-C292 WeakPolarHBondContact CG1-O 3.49Å; G275-C292 PolarHBondContact N-SG 3.47Å; G275-C292 VanDerWaalsContact N-SG 3.41Å; L290-C292 PolarHBondContact O-N 3.02Å; C292-P296 WeakPolarHBondContact O-CA 3.49Å; C292-P296 WeakPolarHBondContact O-CB 2.97Å; C292-C299 HydrophobicContact CB-CB 4.16Å; C292-C299 VanDerWaalsContact SG-CB 3.58Å; C292-P431 HydrophobicContact CB-CG 3.71Å; C292-P431 VanDerWaalsContact SG-CG 3.56Å; C292-F432 HydrophobicContact CB-CE2 4.1Å; C292-F432 HydrophobicContact CB-CZ 4.1Å
293	D	91.5	Very high	94	Very high	68 Å²	68	25.6 Å²	25.6	36%	0.364	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-31.5	176.4	58	-42.7	0	0	0	113.3	H291	H291-D293 VanDerWaalsContact C-OD1 3.31Å; H291-D293 WeakPolarHBondContact CA-OD1 3.45Å; H291-D293 PolarHBondContact O-N 3.35Å
294	L	92.1	Very high	94.3	Very high	63 Å²	63	27.1 Å²	27.1	33%	0.33	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-40.3	-175.2	-63.9	177.8	0	0	0	112.6	H291 P296 V350 L353	H291-L294 HydrophobicContact CB-CB 4.39Å; H291-L294 PolarHBondContact O-N 2.88Å; H291-L294 VanDerWaalsContact O-N 3.11Å; L294-P296 VanDerWaalsContact C-CD 3.49Å; L294-P296 WeakPolarHBondContact O-CD 3.35Å; L294-V350 HydrophobicContact CB-CG1 4.46Å; L294-V350 HydrophobicContact CB-CG2 4.23Å; L294-V350 HydrophobicContact CD1-CG1 4.31Å; L294-V350 HydrophobicContact CD2-CG1 4.3Å; L294-L353 HydrophobicContact CB-CD1 4.16Å; L294-L353 HydrophobicContact CD1-CD1 3.98Å; L294-L353 HydrophobicContact CD1-CD2 4.06Å; L294-L353 HydrophobicContact CD1-CG 3.99Å
295	V	93.5	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.			trans	-127.9	68.7	-176.6	-64.6	0	0	0	0	110.5	H291 K297 C299 E348 V350 L353 T390 F392	H291-V295 HydrophobicContact CB-CG2 4.31Å; H291-V295 WeakPolarHBondContact O-CG2 3.3Å; H291-V295 PolarHBondContact O-N 3.37Å; V295-K297 PolarHBondContact O-N 2.86Å; V295-C299 WeakPolarHBondContact O-CB 3.5Å; V295-C299 PolarHBondContact O-N 3.09Å; V295-C299 VanDerWaalsContact O-N 3.1Å; V295-C299 PolarHBondContact O-SG 2.95Å; V295-E348 VanDerWaalsContact C-OE2 3.25Å; V295-E348 WeakPolarHBondContact CA-OE2 3.42Å; V295-E348 HydrophobicContact CB-CB 4.05Å; V295-E348 WeakPolarHBondContact CB-OE2 3.5Å; V295-E348 HydrophobicContact CG1-CB 3.66Å; V295-E348 WeakPolarHBondContact CG1-O 3.43Å; V295-V350 HydrophobicContact CG1-CG2 3.8Å; V295-L353 HydrophobicContact CG1-CD1 4.19Å; V295-T390 HydrophobicContact CB-CG2 4.47Å; V295-T390 HydrophobicContact CG1-CG2 4.25Å; V295-F392 HydrophobicContact CG2-CB 3.59Å
296	P	94	Very high	94.4	Very high	18 Å²	18	21 Å²	21	12%	0.117	10%	0.101	C	C	.	.	H	α-helix	trans	-66.5	-37.9	-168.8	26.8	-35.6	0	0	0	112.4	Y268 C292 L294 C299 E300 E348 F432	Y268-P296 HydrophobicContact CD1-CB 3.56Å; Y268-P296 HydrophobicContact CD1-CG 4.22Å; Y268-P296 HydrophobicContact CD2-CB 3.86Å; Y268-P296 HydrophobicContact CD2-CG 3.6Å; Y268-P296 HydrophobicContact CE1-CB 3.99Å; Y268-P296 HydrophobicContact CE2-CB 4.27Å; Y268-P296 HydrophobicContact CE2-CG 4.19Å; Y268-P296 HydrophobicContact CG-CB 3.48Å; Y268-P296 VanDerWaalsContact CG-CB 3.48Å; Y268-P296 HydrophobicContact CG-CG 3.62Å; C292-P296 WeakPolarHBondContact O-CA 3.49Å; C292-P296 WeakPolarHBondContact O-CB 2.97Å; L294-P296 VanDerWaalsContact C-CD 3.49Å; L294-P296 WeakPolarHBondContact O-CD 3.35Å; P296-C299 PolarHBondContact O-N 3.5Å; P296-E300 VanDerWaalsContact O-CB 3.31Å; P296-E300 WeakPolarHBondContact O-CB 3.21Å; P296-E300 PolarHBondContact O-N 3.48Å; P296-E348 WeakPolarHBondContact CD-OE1 3.16Å; P296-F432 HydrophobicContact CB-CE1 4.28Å; P296-F432 HydrophobicContact CB-CZ 4.38Å; P296-F432 VanDerWaalsContact O-CZ 3.27Å; P296-F432 WeakPolarHBondContact O-CZ 3.25Å
297	K	92.4	Very high	94.3	Very high	65 Å²	65	24.1 Å²	24.1	28%	0.283	12%	0.123	S	C	.	.	H	α-helix	trans	-68.5	-43.6	-177	-165.7	167.6	-170.8	165.8	0	111.2	Y268 V295 E300 N301 W341 F345 E348	Y268-K297 HydrophobicContact CE2-CB 4Å; Y268-K297 HydrophobicContact CE2-CG 4.48Å; V295-K297 PolarHBondContact O-N 2.86Å; K297-E300 PolarHBondContact O-N 3.28Å; K297-N301 WeakPolarHBondContact O-CB 3.13Å; K297-N301 PolarHBondContact O-N 3.26Å; K297-W341 HydrophobicContact CG-CH2 3.63Å; K297-W341 HydrophobicContact CG-CZ2 4.37Å; K297-W341 HydrophobicContact CG-CZ3 4.05Å; K297-W341 WeakPolarHBondContact O-CH2 3.16Å; K297-F345 HydrophobicContact CD-CB 4.39Å; K297-F345 HydrophobicContact CD-CD2 4.46Å; K297-F345 HydrophobicContact CG-CD2 4.27Å; K297-E348 VanDerWaalsContact CB-OE1 3.23Å; K297-E348 WeakPolarHBondContact CB-OE1 3.35Å; K297-E348 PolarHBondContact N-OE1 3.35Å; K297-E348 PolarHBondContact N-OE2 2.8Å
298	T	94.9	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-44.1	177.8	-50.8	0	0	0	0	111.6	N301 F302 F345 E348 M363 T390 F392	T298-N301 WeakPolarHBondContact O-CB 3.46Å; T298-N301 PolarHBondContact O-N 3.33Å; T298-F302 PolarHBondContact O-N 3.25Å; T298-F302 VanDerWaalsContact O-N 3.1Å; T298-F345 HydrophobicContact CG2-CE2 4.26Å; T298-F345 HydrophobicContact CG2-CZ 4.23Å; T298-E348 WeakPolarHBondContact CB-OE2 3.46Å; T298-E348 PolarHBondContact N-OE2 3.01Å; T298-E348 PolarHBondContact OG1-OE2 3.28Å; T298-M363 HydrophobicContact CG2-CG 3.3Å; T298-M363 HydrophobicContact CG2-SD 3.84Å; T298-T390 HydrophobicContact CG2-CG2 4.06Å; T298-T390 WeakPolarHBondContact OG1-CG2 3.35Å; T298-F392 HydrophobicContact CG2-CB 3.57Å; T298-F392 HydrophobicContact CG2-CD1 3.69Å; T298-F392 HydrophobicContact CG2-CD2 4.4Å; T298-F392 HydrophobicContact CG2-CE1 4.48Å; T298-F392 HydrophobicContact CG2-CG 3.64Å
299	C	95.4	Very high	93.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-41	177.2	-72.7	0	0	0	0	112.7	H291 C292 V295 P296 F302 L303 F432	H291-C299 VanDerWaalsContact C-SG 3.58Å; C292-C299 HydrophobicContact CB-CB 4.16Å; C292-C299 VanDerWaalsContact SG-CB 3.58Å; V295-C299 WeakPolarHBondContact O-CB 3.5Å; V295-C299 PolarHBondContact O-N 3.09Å; V295-C299 VanDerWaalsContact O-N 3.1Å; V295-C299 PolarHBondContact O-SG 2.95Å; P296-C299 PolarHBondContact O-N 3.5Å; C299-F302 PolarHBondContact O-N 2.66Å; C299-L303 WeakPolarHBondContact O-CB 3.36Å; C299-L303 WeakPolarHBondContact O-CG 3.29Å; C299-L303 PolarHBondContact O-N 3.24Å; C299-F432 HydrophobicContact CB-CE2 4.12Å; C299-F432 HydrophobicContact CB-CZ 4.18Å
300	E	93.7	Very high	93.8	Very high	4 Å²	4	28 Å²	28	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-44.4	176.2	-177.7	174.6	-162.5	0	0	110.9	R267 Y268 P296 K297 F302 L303 R304 W341 F432	R267-E300 IonicContact CZ-OE1 3.97Å; R267-E300 VanDerWaalsContact CZ-OE1 3.25Å; R267-E300 IonicContact NH1-OE1 3.56Å; R267-E300 PolarHBondContact NH1-OE1 2.71Å; R267-E300 IonicContact NH2-OE1 2.7Å; R267-E300 PolarHBondContact NH2-OE1 3.21Å; R267-E300 IonicContact NH2-OE2 3.15Å; R267-E300 PolarHBondContact NH2-OE2 2.86Å; Y268-E300 HydrophobicContact CE1-CB 4.5Å; Y268-E300 WeakPolarHBondContact CE1-OE2 3.33Å; Y268-E300 VanDerWaalsContact CZ-OE2 3.25Å; Y268-E300 PolarHBondContact OH-OE2 2.78Å; P296-E300 VanDerWaalsContact O-CB 3.31Å; P296-E300 WeakPolarHBondContact O-CB 3.21Å; P296-E300 PolarHBondContact O-N 3.48Å; K297-E300 PolarHBondContact O-N 3.28Å; E300-F302 VanDerWaalsContact C-N 3.33Å; E300-F302 PolarHBondContact O-N 3.45Å; E300-L303 PolarHBondContact O-N 3.02Å; E300-R304 HydrophobicContact CG-CG 4.2Å; E300-R304 WeakPolarHBondContact O-CB 3.27Å; E300-R304 VanDerWaalsContact O-CG 3.3Å; E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 2.87Å; E300-R304 IonicContact OE1-CZ 3.24Å; E300-R304 IonicContact OE1-NE 3.99Å; E300-R304 PolarHBondContact OE1-NE 3.11Å; E300-R304 IonicContact OE1-NH2 3.66Å; E300-R304 PolarHBondContact OE1-NH2 3.35Å; E300-W341 HydrophobicContact CB-CH2 4.47Å; E300-W341 HydrophobicContact CB-CZ2 4.42Å; E300-W341 HydrophobicContact CG-CZ2 4.14Å; E300-F432 HydrophobicContact CB-CD1 4.34Å; E300-F432 HydrophobicContact CB-CD2 4.41Å; E300-F432 HydrophobicContact CB-CE1 3.97Å; E300-F432 HydrophobicContact CB-CE2 4.06Å; E300-F432 HydrophobicContact CB-CZ 3.83Å
301	N	94.9	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-49.7	175.8	-176.6	65.7	0	0	0	111.4	K297 T298 R304 H305 S339 A340 W341 F345 R372	K297-N301 WeakPolarHBondContact O-CB 3.13Å; K297-N301 PolarHBondContact O-N 3.26Å; T298-N301 WeakPolarHBondContact O-CB 3.46Å; T298-N301 PolarHBondContact O-N 3.33Å; N301-R304 PolarHBondContact O-N 2.92Å; N301-H305 PolarHBondContact O-CD2 3.04Å; N301-H305 PolarHBondContact O-N 3.42Å; N301-H305 PolarHBondContact OD1-NE2 2.86Å; N301-S339 WeakPolarHBondContact OD1-CA 3.5Å; N301-S339 WeakPolarHBondContact OD1-CB 3.4Å; N301-A340 PolarHBondContact OD1-N 2.93Å; N301-W341 HydrophobicContact CB-CH2 3.9Å; N301-W341 HydrophobicContact CB-CZ3 3.7Å; N301-F345 HydrophobicContact CB-CE1 4.09Å; N301-F345 HydrophobicContact CB-CZ 4.2Å; N301-F345 WeakPolarHBondContact ND2-CE1 3.1Å; N301-R372 PolarHBondContact ND2-O 3Å
302	F	95.9	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-48	179.7	-173.6	-97.1	0	0	0	112.1	V277 L279 L288 L290 T298 C299 E300 R304 H305 C306 Y311 F375 F392	V277-F302 HydrophobicContact CB-CE1 4.26Å; V277-F302 HydrophobicContact CG1-CE1 4.14Å; V277-F302 HydrophobicContact CG2-CE1 4.21Å; L279-F302 HydrophobicContact CD2-CZ 4.27Å; L288-F302 HydrophobicContact CD1-CE1 4.24Å; L288-F302 HydrophobicContact CD1-CZ 3.88Å; L290-F302 HydrophobicContact CD1-CD1 3.71Å; L290-F302 HydrophobicContact CD1-CE1 4.22Å; L290-F302 HydrophobicContact CD2-CD1 4.26Å; L290-F302 HydrophobicContact CD2-CE1 4.35Å; T298-F302 PolarHBondContact O-N 3.25Å; T298-F302 VanDerWaalsContact O-N 3.1Å; C299-F302 PolarHBondContact O-N 2.66Å; E300-F302 VanDerWaalsContact C-N 3.33Å; E300-F302 PolarHBondContact O-N 3.45Å; F302-R304 PolarHBondContact O-N 3.46Å; F302-H305 PolarHBondContact O-N 3.05Å; F302-C306 VanDerWaalsContact CE1-SG 3.58Å; F302-C306 PolarHBondContact O-N 2.98Å; F302-C306 PolarHBondContact O-SG 3.04Å; F302-Y311 AromaticContact CD2-CE2 3.85Å; F302-Y311 HydrophobicContact CD2-CE2 3.85Å; F302-Y311 AromaticContact CE2-CE2 3.86Å; F302-Y311 HydrophobicContact CE2-CE2 3.86Å; F302-F375 HydrophobicContact CD2-CD1 4.37Å; F302-F375 AromaticContact CE2-CD1 3.9Å; F302-F375 HydrophobicContact CE2-CD1 3.9Å; F302-F375 AromaticContact CE2-CE1 3.81Å; F302-F375 HydrophobicContact CE2-CE1 3.81Å; F302-F375 HydrophobicContact CE2-CG 4.29Å; F302-F375 HydrophobicContact CE2-CZ 4.14Å; F302-F392 HydrophobicContact CB-CE2 3.95Å; F302-F392 HydrophobicContact CD1-CE2 4.1Å; F302-F392 AromaticContact CD2-CE2 3.77Å; F302-F392 HydrophobicContact CD2-CE2 3.77Å; F302-F392 AromaticContact CD2-CZ 3.76Å; F302-F392 HydrophobicContact CD2-CZ 3.76Å; F302-F392 HydrophobicContact CE2-CE2 4.29Å; F302-F392 HydrophobicContact CE2-CZ 4.16Å; F302-F392 AromaticContact CG-CE2 3.66Å; F302-F392 HydrophobicContact CG-CE2 3.66Å; F302-F392 HydrophobicContact CG-CZ 4.14Å
303	L	94.5	Very high	93.6	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-36.5	179.9	-74.8	169	0	0	0	113.2	V277 L290 C299 E300 C306 S307 V427 F432	V277-L303 HydrophobicContact CG2-CD2 3.37Å; L290-L303 HydrophobicContact CD1-CD1 4.31Å; L290-L303 HydrophobicContact CD1-CD2 3.89Å; L290-L303 HydrophobicContact CD1-CG 3.86Å; C299-L303 WeakPolarHBondContact O-CB 3.36Å; C299-L303 WeakPolarHBondContact O-CG 3.29Å; C299-L303 PolarHBondContact O-N 3.24Å; E300-L303 PolarHBondContact O-N 3.02Å; L303-C306 PolarHBondContact O-N 2.87Å; L303-S307 WeakPolarHBondContact O-CB 3.36Å; L303-S307 PolarHBondContact O-N 3.14Å; L303-S307 PolarHBondContact O-OG 2.87Å; L303-V427 HydrophobicContact CD2-CG1 3.68Å; L303-V427 HydrophobicContact CD2-CG2 4.22Å; L303-F432 HydrophobicContact CD1-CD2 3.58Å; L303-F432 HydrophobicContact CD1-CE2 3.62Å
304	R	93.6	Very high	93.7	Very high	91 Å²	91	32.3 Å²	32.3	34%	0.343	18%	0.176	S	C	.	.	H	α-helix	trans	-64.1	-46.4	173.5	-77.1	-178	179.2	-158.9	1.2	111.2	E300 N301 F302 C306 S307 S308 A340 W341	E300-R304 HydrophobicContact CG-CG 4.2Å; E300-R304 WeakPolarHBondContact O-CB 3.27Å; E300-R304 VanDerWaalsContact O-CG 3.3Å; E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 2.87Å; E300-R304 IonicContact OE1-CZ 3.24Å; E300-R304 IonicContact OE1-NE 3.99Å; E300-R304 PolarHBondContact OE1-NE 3.11Å; E300-R304 IonicContact OE1-NH2 3.66Å; E300-R304 PolarHBondContact OE1-NH2 3.35Å; N301-R304 PolarHBondContact O-N 2.92Å; F302-R304 PolarHBondContact O-N 3.46Å; R304-C306 PolarHBondContact O-N 3.31Å; R304-S307 PolarHBondContact O-N 3.07Å; R304-S308 WeakPolarHBondContact O-CB 3.49Å; R304-S308 PolarHBondContact O-N 3.01Å; R304-S308 PolarHBondContact O-OG 2.92Å; R304-A340 HydrophobicContact CB-CB 3.75Å; R304-A340 HydrophobicContact CG-CB 4.43Å; R304-W341 VanDerWaalsContact NH1-NE1 3.18Å
305	H	94.6	Very high	93.7	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.032	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-44.3	175.4	-76.1	-55.3	0	0	0	112	N301 F302 S307 S308 G309 Y310 Y311 D338 A340	N301-H305 PolarHBondContact O-CD2 3.04Å; N301-H305 PolarHBondContact O-N 3.42Å; N301-H305 PolarHBondContact OD1-NE2 2.86Å; F302-H305 PolarHBondContact O-N 3.05Å; H305-S307 PolarHBondContact O-N 3.46Å; H305-S308 WeakPolarHBondContact CA-OG 3.37Å; H305-S308 PolarHBondContact O-N 3.48Å; H305-S308 PolarHBondContact O-OG 2.83Å; H305-G309 PolarHBondContact O-N 2.84Å; H305-Y310 HydrophobicContact CB-CD1 4.31Å; H305-Y310 HydrophobicContact CB-CG 4.43Å; H305-Y310 AromaticContact CE1-CD1 3.99Å; H305-Y310 AromaticContact CG-CD1 3.96Å; H305-Y310 AromaticContact ND1-CD1 3.43Å; H305-Y310 WeakPolarHBondContact ND1-CD1 3.35Å; H305-Y310 AromaticContact ND1-CD2 3.84Å; H305-Y310 AromaticContact ND1-CE1 4Å; H305-Y310 AromaticContact ND1-CG 3.33Å; H305-Y310 VanDerWaalsContact ND1-CG 3.33Å; H305-Y310 WeakPolarHBondContact O-CB 3.42Å; H305-Y310 PolarHBondContact O-N 3.28Å; H305-Y311 HydrophobicContact CB-CD2 3.92Å; H305-Y311 HydrophobicContact CB-CE1 4.38Å; H305-Y311 HydrophobicContact CB-CE2 3.35Å; H305-D338 PolarHBondContact CE1-O 3.04Å; H305-D338 PolarHBondContact NE2-O 3.27Å; H305-A340 PolarHBondContact CE1-N 3.4Å; H305-A340 PolarHBondContact NE2-N 2.96Å; H305-A340 VanDerWaalsContact NE2-N 3.14Å
306	C	94	Very high	93.8	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-46.6	173.8	-69	0	0	0	0	112.3	F302 L303 R304 S308 G309 C425 V427	F302-C306 VanDerWaalsContact CE1-SG 3.58Å; F302-C306 PolarHBondContact O-N 2.98Å; F302-C306 PolarHBondContact O-SG 3.04Å; L303-C306 PolarHBondContact O-N 2.87Å; R304-C306 PolarHBondContact O-N 3.31Å; C306-S308 PolarHBondContact O-N 3.46Å; C306-G309 PolarHBondContact O-N 3.29Å; C306-C425 HydrophobicContact CB-CB 3.75Å; C306-V427 HydrophobicContact CB-CG2 3.75Å
307	S	91.4	Very high	93.7	Very high	64 Å²	64	30.6 Å²	30.6	45%	0.448	17%	0.168	S	C	.	.	H	α-helix	trans	-69.1	-32.3	-178.7	-60.6	0	0	0	0	113.2	L303 R304 H305 G309	L303-S307 WeakPolarHBondContact O-CB 3.36Å; L303-S307 PolarHBondContact O-N 3.14Å; L303-S307 PolarHBondContact O-OG 2.87Å; R304-S307 PolarHBondContact O-N 3.07Å; H305-S307 PolarHBondContact O-N 3.46Å; S307-G309 VanDerWaalsContact C-N 3.27Å
308	S	91.8	Very high	93.8	Very high	84 Å²	84	32 Å²	32	59%	0.587	17%	0.172	S	C	*	.	H	α-helix	trans	-78.2	-8.6	176.5	65.8	0	0	0	0	113.9	R304 H305 C306 Y310	R304-S308 WeakPolarHBondContact O-CB 3.49Å; R304-S308 PolarHBondContact O-N 3.01Å; R304-S308 PolarHBondContact O-OG 2.92Å; H305-S308 WeakPolarHBondContact CA-OG 3.37Å; H305-S308 PolarHBondContact O-N 3.48Å; H305-S308 PolarHBondContact O-OG 2.83Å; C306-S308 PolarHBondContact O-N 3.46Å; S308-Y310 VanDerWaalsContact C-N 3.29Å
309	G	92.5	Very high	93.7	Very high	24 Å²	24	32 Å²	32	25%	0.247	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	16.6	-174.1	0	0	0	0	0	114.1	H305 C306 S307 Y311 N312	H305-G309 PolarHBondContact O-N 2.84Å; C306-G309 PolarHBondContact O-N 3.29Å; S307-G309 VanDerWaalsContact C-N 3.27Å; G309-Y311 PolarHBondContact O-N 2.87Å; G309-N312 VanDerWaalsContact O-CB 3.3Å; G309-N312 WeakPolarHBondContact O-CB 3.34Å; G309-N312 PolarHBondContact O-N 2.93Å; G309-N312 VanDerWaalsContact O-N 3.09Å
310	Y	93.4	Very high	93.5	Very high	68 Å²	68	33.8 Å²	33.8	27%	0.267	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.8	-176.7	-173.8	-93.7	0	0	0	113.6	H305 S308 P330 G337 D338	H305-Y310 HydrophobicContact CB-CD1 4.31Å; H305-Y310 HydrophobicContact CB-CG 4.43Å; H305-Y310 AromaticContact CE1-CD1 3.99Å; H305-Y310 AromaticContact CG-CD1 3.96Å; H305-Y310 AromaticContact ND1-CD1 3.43Å; H305-Y310 WeakPolarHBondContact ND1-CD1 3.35Å; H305-Y310 AromaticContact ND1-CD2 3.84Å; H305-Y310 AromaticContact ND1-CE1 4Å; H305-Y310 AromaticContact ND1-CG 3.33Å; H305-Y310 VanDerWaalsContact ND1-CG 3.33Å; H305-Y310 WeakPolarHBondContact O-CB 3.42Å; H305-Y310 PolarHBondContact O-N 3.28Å; S308-Y310 VanDerWaalsContact C-N 3.29Å; Y310-P330 HydrophobicContact CE1-CG 3.91Å; Y310-P330 HydrophobicContact CE2-CG 4.37Å; Y310-P330 WeakPolarHBondContact OH-CG 3.4Å; Y310-G337 WeakPolarHBondContact OH-CA 3.34Å; Y310-D338 PolarHBondContact OH-N 3.48Å; Y310-D338 VanDerWaalsContact OH-N 3.13Å
311	Y	95.4	Very high	93.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.7	177.9	-62.9	-50.4	0	0	0	113.8	F302 H305 G309 D313 T314 S373 F375 I422	F302-Y311 AromaticContact CD2-CE2 3.85Å; F302-Y311 HydrophobicContact CD2-CE2 3.85Å; F302-Y311 AromaticContact CE2-CE2 3.86Å; F302-Y311 HydrophobicContact CE2-CE2 3.86Å; H305-Y311 HydrophobicContact CB-CD2 3.92Å; H305-Y311 HydrophobicContact CB-CE1 4.38Å; H305-Y311 HydrophobicContact CB-CE2 3.35Å; G309-Y311 PolarHBondContact O-N 2.87Å; Y311-D313 PolarHBondContact O-N 3.46Å; Y311-T314 WeakPolarHBondContact O-CB 3.24Å; Y311-T314 WeakPolarHBondContact O-CG2 3.37Å; Y311-T314 PolarHBondContact O-N 2.9Å; Y311-T314 PolarHBondContact O-OG1 2.81Å; Y311-S373 PolarHBondContact OH-O 3.38Å; Y311-F375 HydrophobicContact CD1-CE1 4.38Å; Y311-F375 HydrophobicContact CE1-CD1 4.41Å; Y311-F375 HydrophobicContact CE1-CE1 4.09Å; Y311-F375 HydrophobicContact CE2-CE1 4.42Å; Y311-I422 WeakPolarHBondContact O-CB 3.27Å
312	N	93.3	Very high	93	Very high	58 Å²	58	44.5 Å²	44.5	31%	0.31	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	136	177.4	-62.7	-4.5	0	0	0	109.5	G309 T314 I422	G309-N312 VanDerWaalsContact O-CB 3.3Å; G309-N312 WeakPolarHBondContact O-CB 3.34Å; G309-N312 PolarHBondContact O-N 2.93Å; G309-N312 VanDerWaalsContact O-N 3.09Å; N312-T314 PolarHBondContact O-N 2.91Å; N312-I422 CarbonylContact C-O 3.47Å
313	D	92	Very high	92.8	Very high	120 Å²	120	47.2 Å²	47.2	64%	0.642	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	19.8	-174.7	-54.9	-41.4	0	0	0	115	Y311 I422	Y311-D313 PolarHBondContact O-N 3.46Å; D313-I422 WeakPolarHBondContact CA-O 3.45Å; D313-I422 PolarHBondContact N-O 3.28Å
314	T	94.2	Very high	92.7	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.5	175.5	65.3	0	0	0	0	111.8	Y311 N312 P330 Q421 I422	Y311-T314 WeakPolarHBondContact O-CB 3.24Å; Y311-T314 WeakPolarHBondContact O-CG2 3.37Å; Y311-T314 PolarHBondContact O-N 2.9Å; Y311-T314 PolarHBondContact O-OG1 2.81Å; N312-T314 PolarHBondContact O-N 2.91Å; T314-P330 HydrophobicContact CG2-CB 4.24Å; T314-Q421 WeakPolarHBondContact O-CA 3.47Å; T314-I422 PolarHBondContact O-N 3.02Å
315	S	93.2	Very high	92.8	Very high	26 Å²	26	43.3 Å²	43.3	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	150.8	-179.1	63.5	0	0	0	0	113.3	H317 I420	S315-H317 VanDerWaalsContact C-N 3.34Å; S315-H317 PolarHBondContact O-N 2.97Å; S315-H317 VanDerWaalsContact O-N 3.12Å; S315-I420 CarbonylContact C-O 3.46Å; S315-I420 VanDerWaalsContact CA-O 3.23Å; S315-I420 WeakPolarHBondContact CA-O 3.42Å
316	F	94.7	Very high	92.8	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	22%	0.222	C	C	.	.			trans	-79.3	87.1	164.3	-68	-86.4	0	0	0	109.3	T281 R318 V325 Q326 F375 P416 I420 I422	T281-F316 HydrophobicContact CG2-CE2 4.36Å; F316-R318 PolarHBondContact O-N 2.77Å; F316-V325 HydrophobicContact CB-CG2 3.88Å; F316-V325 HydrophobicContact CD1-CG2 3.68Å; F316-V325 HydrophobicContact CE1-CG2 4.46Å; F316-V325 HydrophobicContact CG-CG2 3.94Å; F316-Q326 CarbonylContact C-O 3.56Å; F316-Q326 VanDerWaalsContact CA-O 3.27Å; F316-Q326 WeakPolarHBondContact CA-O 3.43Å; F316-F375 HydrophobicContact CE1-CE2 4.16Å; F316-F375 HydrophobicContact CE1-CZ 4.42Å; F316-P416 WeakPolarHBondContact O-CG 3.46Å; F316-I420 HydrophobicContact CB-CB 4.17Å; F316-I420 HydrophobicContact CB-CD1 4.26Å; F316-I420 HydrophobicContact CD2-CB 3.92Å; F316-I420 HydrophobicContact CD2-CG2 3.53Å; F316-I420 HydrophobicContact CE2-CG2 4.13Å; F316-I420 HydrophobicContact CG-CB 4.5Å; F316-I420 HydrophobicContact CG-CG2 4.41Å; F316-I420 PolarHBondContact N-O 2.8Å; F316-I422 HydrophobicContact CD2-CG1 4.48Å; F316-I422 HydrophobicContact CE2-CD1 4.03Å; F316-I422 HydrophobicContact CE2-CG1 3.67Å; F316-I422 HydrophobicContact CZ-CD1 3.93Å; F316-I422 HydrophobicContact CZ-CG1 4.07Å
317	H	92.9	Very high	92.9	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.069	22%	0.221	C	C	.	.			trans	-71.7	-8.5	-173.4	60.1	-93	0	0	0	114.3	S315 Q326 G334 R415	S315-H317 VanDerWaalsContact C-N 3.34Å; S315-H317 PolarHBondContact O-N 2.97Å; S315-H317 VanDerWaalsContact O-N 3.12Å; H317-Q326 PolarHBondContact N-O 3.17Å; H317-G334 WeakPolarHBondContact NE2-CA 3.32Å; H317-R415 WeakPolarHBondContact O-CG 3.47Å
318	R	93.2	Very high	92.9	Very high	96 Å²	96	40.7 Å²	40.7	36%	0.362	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.4	178.6	-177	-178.3	-167.7	-167.1	6.3	111.9	F316 Q326 D414	F316-R318 PolarHBondContact O-N 2.77Å; R318-Q326 HydrophobicContact CB-CB 4.19Å; R318-Q326 PolarHBondContact N-O 2.93Å; R318-Q326 PolarHBondContact O-N 3.27Å; R318-D414 CarbonylContact C-O 3.51Å; R318-D414 WeakPolarHBondContact CA-O 3.48Å; R318-D414 HydrophobicContact CG-CB 3.9Å; R318-D414 IonicContact NE-OD2 3.53Å; R318-D414 IonicContact NH2-OD2 3.93Å
319	L	93.7	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	115	-179.3	175.5	64.9	0	0	0	109.1	V325 F379 I405 M408 T410 D414 P416	L319-V325 HydrophobicContact CD1-CB 3.85Å; L319-V325 HydrophobicContact CD1-CG2 3.97Å; L319-F379 HydrophobicContact CD1-CE2 3.63Å; L319-F379 HydrophobicContact CD1-CZ 3.83Å; L319-I405 HydrophobicContact CD1-CG2 3.58Å; L319-I405 HydrophobicContact CD2-CG2 4.08Å; L319-I405 WeakPolarHBondContact CD2-O 2.87Å; L319-I405 HydrophobicContact CG-CG2 4.49Å; L319-M408 HydrophobicContact CD2-CB 4.16Å; L319-M408 HydrophobicContact CD2-CE 4.29Å; L319-T410 HydrophobicContact CB-CG2 3.86Å; L319-T410 HydrophobicContact CD2-CG2 3.73Å; L319-T410 HydrophobicContact CG-CG2 3.88Å; L319-T410 WeakPolarHBondContact O-CG2 3.32Å; L319-D414 PolarHBondContact N-O 2.83Å; L319-P416 HydrophobicContact CD2-CB 4.14Å
320	I	91.7	Very high	93	Very high	37 Å²	37	38.7 Å²	38.7	19%	0.19	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114	172.9	-59	172.2	0	0	0	108	Y322 F323 I324 D414	I320-Y322 PolarHBondContact O-N 2.92Å; I320-F323 HydrophobicContact CB-CB 4.03Å; I320-F323 HydrophobicContact CB-CD1 4.13Å; I320-F323 HydrophobicContact CD1-CD1 3.9Å; I320-F323 HydrophobicContact CD1-CE1 4.41Å; I320-F323 HydrophobicContact CG2-CB 3.68Å; I320-F323 HydrophobicContact CG2-CD1 4.05Å; I320-F323 HydrophobicContact CG2-CG 4.36Å; I320-F323 PolarHBondContact O-N 2.85Å; I320-I324 PolarHBondContact N-O 2.89Å; I320-I324 PolarHBondContact O-N 2.91Å; I320-D414 HydrophobicContact CG1-CB 4.12Å
321	R	89.2	Confident	92.9	Very high	118 Å²	118	38.6 Å²	38.6	45%	0.445	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.3	-178.5	-62	-176.9	71.9	-172.1	4.4	110.7	F323 E406	R321-F323 PolarHBondContact O-N 2.74Å; R321-F323 VanDerWaalsContact O-N 3.11Å; R321-E406 PolarHBondContact NE-O 3.24Å
322	Y	87.7	Confident	92.5	Very high	111 Å²	111	39.5 Å²	39.5	44%	0.435	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	6	-177.5	-56.2	-65.3	0	0	0	116.7	I320 R380 E406	I320-Y322 PolarHBondContact O-N 2.92Å; Y322-R380 VanDerWaalsContact CD1-CZ 3.44Å; Y322-R380 VanDerWaalsContact CE1-NH2 3.31Å; Y322-R380 WeakPolarHBondContact O-CD 3.5Å; Y322-R380 WeakPolarHBondContact O-CG 3.34Å; Y322-E406 WeakPolarHBondContact CA-OE1 3.1Å; Y322-E406 HydrophobicContact CD1-CG 4.38Å; Y322-E406 WeakPolarHBondContact CD1-OE1 3.41Å
323	F	91.6	Very high	92.3	Very high	56 Å²	56	40 Å²	40	25%	0.246	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-81	-179.3	-176.2	-136.1	0	0	0	111.5	I320 R321 F379 C382 H384 L385	I320-F323 HydrophobicContact CB-CB 4.03Å; I320-F323 HydrophobicContact CB-CD1 4.13Å; I320-F323 HydrophobicContact CD1-CD1 3.9Å; I320-F323 HydrophobicContact CD1-CE1 4.41Å; I320-F323 HydrophobicContact CG2-CB 3.68Å; I320-F323 HydrophobicContact CG2-CD1 4.05Å; I320-F323 HydrophobicContact CG2-CG 4.36Å; I320-F323 PolarHBondContact O-N 2.85Å; R321-F323 PolarHBondContact O-N 2.74Å; R321-F323 VanDerWaalsContact O-N 3.11Å; F323-F379 PolarHBondContact O-N 3.29Å; F323-C382 VanDerWaalsContact CD2-SG 3.59Å; F323-C382 HydrophobicContact CE2-CB 4.23Å; F323-H384 AromaticContact CE2-CE1 3.48Å; F323-H384 VanDerWaalsContact CE2-CE1 3.48Å; F323-H384 WeakPolarHBondContact CE2-CE1 3.49Å; F323-H384 AromaticContact CE2-NE2 3.21Å; F323-H384 WeakPolarHBondContact CE2-NE2 3.23Å; F323-H384 AromaticContact CZ-NE2 3.44Å; F323-H384 WeakPolarHBondContact CZ-NE2 3.25Å; F323-L385 HydrophobicContact CE2-CD1 4.03Å; F323-L385 HydrophobicContact CZ-CD1 4.12Å; F323-L385 HydrophobicContact CZ-CD2 4.28Å
324	I	93.6	Very high	92.1	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.046	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.1	-175.3	65.1	177.1	0	0	0	112	I320 F376 I377 T378 L385	I320-I324 PolarHBondContact N-O 2.89Å; I320-I324 PolarHBondContact O-N 2.91Å; I324-F376 HydrophobicContact CB-CB 4.43Å; I324-F376 HydrophobicContact CB-CD2 4.14Å; I324-F376 HydrophobicContact CD1-CB 4.44Å; I324-F376 HydrophobicContact CD1-CD2 4.49Å; I324-F376 HydrophobicContact CD1-CG 4.41Å; I324-F376 HydrophobicContact CG2-CD2 3.72Å; I324-F376 HydrophobicContact CG2-CE2 4.13Å; I324-I377 VanDerWaalsContact CA-O 3.3Å; I324-I377 WeakPolarHBondContact CA-O 3.23Å; I324-T378 HydrophobicContact CG2-CG2 4.2Å; I324-L385 HydrophobicContact CG2-CD1 4.45Å
325	V	94.3	Very high	91.9	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.8	160.6	59.6	0	0	0	0	108.4	F316 L319 F376 I377 F379 I405	F316-V325 HydrophobicContact CB-CG2 3.88Å; F316-V325 HydrophobicContact CD1-CG2 3.68Å; F316-V325 HydrophobicContact CE1-CG2 4.46Å; F316-V325 HydrophobicContact CG-CG2 3.94Å; L319-V325 HydrophobicContact CD1-CB 3.85Å; L319-V325 HydrophobicContact CD1-CG2 3.97Å; V325-F376 CarbonylContact O-C 3.51Å; V325-F376 WeakPolarHBondContact O-CA 3.46Å; V325-F376 WeakPolarHBondContact O-CB 3.33Å; V325-I377 HydrophobicContact CG1-CB 3.88Å; V325-I377 PolarHBondContact N-O 3.35Å; V325-I377 PolarHBondContact O-N 3.26Å; V325-F379 HydrophobicContact CB-CE2 3.89Å; V325-F379 HydrophobicContact CB-CZ 3.69Å; V325-F379 HydrophobicContact CG1-CE1 4.24Å; V325-F379 HydrophobicContact CG1-CE2 4.2Å; V325-F379 HydrophobicContact CG1-CZ 3.65Å; V325-I405 HydrophobicContact CG2-CG2 4.25Å
326	Q	95.3	Very high	91.7	Very high	20 Å²	20	43 Å²	43	9%	0.093	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.8	-173.2	176	-178.4	-12.2	0	0	110.7	F316 H317 R318 F375 F376	F316-Q326 CarbonylContact C-O 3.56Å; F316-Q326 VanDerWaalsContact CA-O 3.27Å; F316-Q326 WeakPolarHBondContact CA-O 3.43Å; H317-Q326 PolarHBondContact N-O 3.17Å; R318-Q326 HydrophobicContact CB-CB 4.19Å; R318-Q326 PolarHBondContact N-O 2.93Å; R318-Q326 PolarHBondContact O-N 3.27Å; Q326-F375 WeakPolarHBondContact CA-O 3.18Å; Q326-F376 HydrophobicContact CB-CB 3.92Å; Q326-F376 HydrophobicContact CG-CB 4.34Å
327	G	94.9	Very high	91.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	-163.6	-178.4	0	0	0	0	0	111.9	Q374 F375	G327-Q374 WeakPolarHBondContact O-CA 3.34Å; G327-F375 PolarHBondContact N-O 3.23Å; G327-F375 PolarHBondContact O-N 3.37Å
328	G	92.8	Very high	91.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.			trans	82.4	18.3	179.8	0	0	0	0	0	114.9	S373	G328-S373 CarbonylContact O-C 3.6Å; G328-S373 WeakPolarHBondContact O-CB 3Å; G328-S373 PolarHBondContact O-OG 2.84Å
329	D	94.2	Very high	91.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.			trans	-102.5	111.7	169.1	-178.1	0.1	0	0	0	109.7	S331 G332 T333 G334 F335 G336 Q374	D329-S331 PolarHBondContact O-N 3.25Å; D329-S331 WeakPolarHBondContact OD1-CB 3.29Å; D329-S331 PolarHBondContact OD1-N 3.1Å; D329-S331 PolarHBondContact OD1-OG 3.28Å; D329-S331 PolarHBondContact OD2-OG 3.18Å; D329-G332 PolarHBondContact O-N 3.43Å; D329-G332 VanDerWaalsContact O-N 3.14Å; D329-T333 PolarHBondContact OD2-N 2.68Å; D329-T333 PolarHBondContact OD2-OG1 3.1Å; D329-G334 WeakPolarHBondContact OD2-CA 3.34Å; D329-G334 PolarHBondContact OD2-N 3.5Å; D329-F335 PolarHBondContact OD2-N 3.15Å; D329-G336 VanDerWaalsContact OD1-C 3.24Å; D329-G336 WeakPolarHBondContact OD1-CA 3.49Å; D329-G336 PolarHBondContact OD2-N 3.02Å; D329-Q374 HydrophobicContact CB-CG 4.11Å
330	P	91.2	Very high	91.3	Very high	66 Å²	66	44.1 Å²	44.1	43%	0.429	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.6	178.3	31	-38.7	0	0	0	113.6	Y310 T314 G332	Y310-P330 HydrophobicContact CE1-CG 3.91Å; Y310-P330 HydrophobicContact CE2-CG 4.37Å; Y310-P330 WeakPolarHBondContact OH-CG 3.4Å; T314-P330 HydrophobicContact CG2-CB 4.24Å; P330-G332 VanDerWaalsContact C-N 3.34Å
331	S	91	Very high	91.2	Very high	65 Å²	65	46.4 Å²	46.4	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.3	175.3	73.4	0	0	0	0	113.1	D329 T333	D329-S331 PolarHBondContact O-N 3.25Å; D329-S331 WeakPolarHBondContact OD1-CB 3.29Å; D329-S331 PolarHBondContact OD1-N 3.1Å; D329-S331 PolarHBondContact OD1-OG 3.28Å; D329-S331 PolarHBondContact OD2-OG 3.18Å; S331-T333 PolarHBondContact O-N 3.15Å; S331-T333 VanDerWaalsContact O-N 3.13Å; S331-T333 PolarHBondContact OG-N 3.34Å; S331-T333 PolarHBondContact OG-OG1 3.18Å
332	G	88.1	Confident	90.9	Very high	19 Å²	19	43.3 Å²	43.3	20%	0.196	25%	0.251	C	S	.	.	S	Bend	trans	64.4	8	-173.6	0	0	0	0	0	114.8	D329 P330 R415	D329-G332 PolarHBondContact O-N 3.43Å; D329-G332 VanDerWaalsContact O-N 3.14Å; P330-G332 VanDerWaalsContact C-N 3.34Å; G332-R415 PolarHBondContact O-NH2 3.42Å
333	T	89.4	Confident	90.9	Very high	68 Å²	68	39.8 Å²	39.8	42%	0.417	25%	0.248	S	C	.	.	S	Bend	trans	-83.5	-29	-176.1	62.2	0	0	0	0	113	D329 S331 F335 R415	D329-T333 PolarHBondContact OD2-N 2.68Å; D329-T333 PolarHBondContact OD2-OG1 3.1Å; S331-T333 PolarHBondContact O-N 3.15Å; S331-T333 VanDerWaalsContact O-N 3.13Å; S331-T333 PolarHBondContact OG-N 3.34Å; S331-T333 PolarHBondContact OG-OG1 3.18Å; T333-F335 PolarHBondContact OG1-N 3.11Å; T333-R415 PolarHBondContact O-NH2 3.15Å
334	G	87.9	Confident	90.9	Very high	18 Å²	18	40.4 Å²	40.4	19%	0.186	26%	0.26	C	S	.	.	S	Bend	trans	96.3	-7.2	-170.8	0	0	0	0	0	114.1	H317 D329 Q374	H317-G334 WeakPolarHBondContact NE2-CA 3.32Å; D329-G334 WeakPolarHBondContact OD2-CA 3.34Å; D329-G334 PolarHBondContact OD2-N 3.5Å; G334-Q374 VanDerWaalsContact C-NE2 3.32Å; G334-Q374 PolarHBondContact O-NE2 3.39Å; G334-Q374 PolarHBondContact O-OE1 3.14Å
335	F	88.5	Confident	90.9	Very high	181 Å²	181	40.3 Å²	40.3	79%	0.794	26%	0.259	S	S	*	.	S	Bend	trans	-114.9	-7.1	-179.2	-61.5	-79.4	0	0	0	113.5	D329 T333	D329-F335 PolarHBondContact OD2-N 3.15Å; T333-F335 PolarHBondContact OG1-N 3.11Å
336	G	89.3	Confident	90.9	Very high	17 Å²	17	42.3 Å²	42.3	18%	0.175	28%	0.276	C	S	.	.			trans	-89.5	-176.8	-177.9	0	0	0	0	0	113.6	D329 Q374	D329-G336 VanDerWaalsContact OD1-C 3.24Å; D329-G336 WeakPolarHBondContact OD1-CA 3.49Å; D329-G336 PolarHBondContact OD2-N 3.02Å; G336-Q374 PolarHBondContact O-NE2 2.69Å
337	G	90.5	Very high	90.8	Very high	9 Å²	9	42.4 Å²	42.4	9%	0.093	28%	0.277	C	S	.	.			trans	103.8	140.9	-178.4	0	0	0	0	0	113	Y310 R372 S373	Y310-G337 WeakPolarHBondContact OH-CA 3.34Å; G337-R372 WeakPolarHBondContact O-CD 3.46Å; G337-S373 WeakPolarHBondContact CA-OG 3.48Å
338	D	92.9	Very high	90.6	Very high	82 Å²	82	44.2 Å²	44.2	44%	0.439	29%	0.285	S	S	.	.			trans	-133.9	152.1	177.4	-90.6	-37.5	0	0	0	109.6	H305 Y310 S373	H305-D338 PolarHBondContact CE1-O 3.04Å; H305-D338 PolarHBondContact NE2-O 3.27Å; Y310-D338 PolarHBondContact OH-N 3.48Å; Y310-D338 VanDerWaalsContact OH-N 3.13Å; D338-S373 WeakPolarHBondContact O-CB 3.26Å
339	S	93.6	Very high	90.6	Very high	8 Å²	8	48.4 Å²	48.4	6%	0.056	30%	0.303	C	S	.	.			trans	-71.3	162.9	173.9	71.8	0	0	0	0	112	N301 W341 G342 G343	N301-S339 WeakPolarHBondContact OD1-CA 3.5Å; N301-S339 WeakPolarHBondContact OD1-CB 3.4Å; S339-W341 PolarHBondContact O-N 3.12Å; S339-G342 PolarHBondContact O-N 3.04Å; S339-G343 VanDerWaalsContact CB-O 3.25Å; S339-G343 WeakPolarHBondContact CB-O 3.45Å; S339-G343 PolarHBondContact N-O 3.04Å; S339-G343 PolarHBondContact OG-O 3.28Å
340	A	90.4	Very high	90.5	Very high	39 Å²	39	49.9 Å²	49.9	32%	0.322	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.6	178.7	0	0	0	0	0	114.1	N301 R304 H305	N301-A340 PolarHBondContact OD1-N 2.93Å; R304-A340 HydrophobicContact CB-CB 3.75Å; R304-A340 HydrophobicContact CG-CB 4.43Å; H305-A340 PolarHBondContact CE1-N 3.4Å; H305-A340 PolarHBondContact NE2-N 2.96Å; H305-A340 VanDerWaalsContact NE2-N 3.14Å
341	W	88.7	Confident	90.3	Very high	85 Å²	85	52.4 Å²	52.4	32%	0.322	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-4	177.2	-54.4	-86.8	0	0	0	113.6	K297 E300 N301 R304 S339 F345	K297-W341 HydrophobicContact CG-CH2 3.63Å; K297-W341 HydrophobicContact CG-CZ2 4.37Å; K297-W341 HydrophobicContact CG-CZ3 4.05Å; K297-W341 WeakPolarHBondContact O-CH2 3.16Å; E300-W341 HydrophobicContact CB-CH2 4.47Å; E300-W341 HydrophobicContact CB-CZ2 4.42Å; E300-W341 HydrophobicContact CG-CZ2 4.14Å; N301-W341 HydrophobicContact CB-CH2 3.9Å; N301-W341 HydrophobicContact CB-CZ3 3.7Å; R304-W341 VanDerWaalsContact NH1-NE1 3.18Å; S339-W341 PolarHBondContact O-N 3.12Å; W341-F345 HydrophobicContact CZ3-CD1 4.23Å; W341-F345 HydrophobicContact CZ3-CG 4.33Å
342	G	83.4	Confident	90.3	Very high	52 Å²	52	55.5 Å²	55.5	54%	0.536	34%	0.34	S	S	.	.	S	Bend	trans	77.7	133.9	-166.8	0	0	0	0	0	112	S339	S339-G342 PolarHBondContact O-N 3.04Å
343	G	87.6	Confident	90.5	Very high	37 Å²	37	56 Å²	56	38%	0.381	34%	0.338	S	S	.	.	S	Bend	trans	81	-166.1	-177.1	0	0	0	0	0	113.7	S339	S339-G343 VanDerWaalsContact CB-O 3.25Å; S339-G343 WeakPolarHBondContact CB-O 3.45Å; S339-G343 PolarHBondContact N-O 3.04Å; S339-G343 PolarHBondContact OG-O 3.28Å
344	S	91.6	Very high	90.6	Very high	70 Å²	70	54.4 Å²	54.4	49%	0.49	33%	0.33	S	S	.	.			trans	-98	153.1	-178.9	58.7	0	0	0	0	113.3	N369 N371	S344-N369 PolarHBondContact OG-O 3.22Å; S344-N371 CarbonylContact C-O 3.55Å; S344-N371 WeakPolarHBondContact CA-O 3.35Å
345	F	93.5	Very high	90.9	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.031	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-119.9	162.3	174.3	68.4	-87.5	0	0	0	113.1	K297 T298 N301 W341 M363 N369 N371 R372	K297-F345 HydrophobicContact CD-CB 4.39Å; K297-F345 HydrophobicContact CD-CD2 4.46Å; K297-F345 HydrophobicContact CG-CD2 4.27Å; T298-F345 HydrophobicContact CG2-CE2 4.26Å; T298-F345 HydrophobicContact CG2-CZ 4.23Å; N301-F345 HydrophobicContact CB-CE1 4.09Å; N301-F345 HydrophobicContact CB-CZ 4.2Å; N301-F345 WeakPolarHBondContact ND2-CE1 3.1Å; W341-F345 HydrophobicContact CZ3-CD1 4.23Å; W341-F345 HydrophobicContact CZ3-CG 4.33Å; F345-M363 HydrophobicContact CE1-CE 4.26Å; F345-M363 HydrophobicContact CZ-CE 3.98Å; F345-M363 HydrophobicContact CZ-CG 4.42Å; F345-N369 CarbonylContact O-C 3.57Å; F345-N369 VanDerWaalsContact O-C 3.31Å; F345-N371 HydrophobicContact CD1-CB 3.84Å; F345-N371 WeakPolarHBondContact CD1-O 3.37Å; F345-N371 HydrophobicContact CD2-CB 3.9Å; F345-N371 HydrophobicContact CE1-CB 3.49Å; F345-N371 VanDerWaalsContact CE1-CB 3.49Å; F345-N371 HydrophobicContact CE2-CB 3.53Å; F345-N371 HydrophobicContact CG-CB 4.03Å; F345-N371 HydrophobicContact CZ-CB 3.33Å; F345-N371 PolarHBondContact N-O 3.35Å; F345-N371 PolarHBondContact O-N 3.47Å; F345-N371 PolarHBondContact O-ND2 2.83Å; F345-R372 WeakPolarHBondContact CE1-O 3.24Å
346	A	93.4	Very high	91	Very high	45 Å²	45	47.4 Å²	47.4	37%	0.372	30%	0.297	S	S	.	.			trans	-65.8	155.6	-175.2	0	0	0	0	0	113.3	N369 N371	A346-N369 VanDerWaalsContact CA-OD1 3.29Å; A346-N369 WeakPolarHBondContact CA-OD1 3.3Å; A346-N371 PolarHBondContact O-ND2 3.42Å; A346-N371 VanDerWaalsContact O-ND2 3.16Å
347	D	93.4	Very high	91	Very high	21 Å²	21	49.2 Å²	49.2	11%	0.112	30%	0.304	C	S	.	.			trans	-77.4	144.2	172.4	-59.4	-45.4	0	0	0	111.3	F349 N365 L368 N369 N371 T390	D347-F349 HydrophobicContact CB-CD1 4.43Å; D347-F349 HydrophobicContact CB-CD2 4.26Å; D347-F349 HydrophobicContact CB-CE1 3.79Å; D347-F349 HydrophobicContact CB-CE2 3.6Å; D347-F349 HydrophobicContact CB-CZ 3.33Å; D347-N365 PolarHBondContact OD1-ND2 2.92Å; D347-L368 VanDerWaalsContact OD2-CA 3.31Å; D347-L368 WeakPolarHBondContact OD2-CA 3.46Å; D347-N369 PolarHBondContact N-OD1 2.87Å; D347-N369 PolarHBondContact OD2-N 3.48Å; D347-N371 WeakPolarHBondContact CA-ND2 3.21Å; D347-N371 PolarHBondContact OD1-ND2 2.9Å; D347-N371 PolarHBondContact OD1-OD1 3.11Å; D347-T390 WeakPolarHBondContact CA-OG1 3.45Å
348	E	91.9	Very high	91.1	Very high	40 Å²	40	52.5 Å²	52.5	19%	0.187	31%	0.314	C	S	.	.			trans	-120.1	85.3	178.2	-61.3	177.9	124.8	0	0	110	V295 P296 K297 T298 T390	V295-E348 VanDerWaalsContact C-OE2 3.25Å; V295-E348 WeakPolarHBondContact CA-OE2 3.42Å; V295-E348 HydrophobicContact CB-CB 4.05Å; V295-E348 WeakPolarHBondContact CB-OE2 3.5Å; V295-E348 HydrophobicContact CG1-CB 3.66Å; V295-E348 WeakPolarHBondContact CG1-O 3.43Å; P296-E348 WeakPolarHBondContact CD-OE1 3.16Å; K297-E348 VanDerWaalsContact CB-OE1 3.23Å; K297-E348 WeakPolarHBondContact CB-OE1 3.35Å; K297-E348 PolarHBondContact N-OE1 3.35Å; K297-E348 PolarHBondContact N-OE2 2.8Å; T298-E348 WeakPolarHBondContact CB-OE2 3.46Å; T298-E348 PolarHBondContact N-OE2 3.01Å; T298-E348 PolarHBondContact OG1-OE2 3.28Å; E348-T390 HydrophobicContact CB-CG2 3.89Å; E348-T390 PolarHBondContact N-OG1 2.8Å; E348-T390 VanDerWaalsContact N-OG1 3.08Å; E348-T390 WeakPolarHBondContact O-CG2 3.32Å
349	F	92	Very high	91.2	Very high	87 Å²	87	48.6 Å²	48.6	38%	0.382	29%	0.293	S	S	.	.			trans	-88.3	118.5	-179.2	-54.6	-50.5	0	0	0	111.9	D347 R387	D347-F349 HydrophobicContact CB-CD1 4.43Å; D347-F349 HydrophobicContact CB-CD2 4.26Å; D347-F349 HydrophobicContact CB-CE1 3.79Å; D347-F349 HydrophobicContact CB-CE2 3.6Å; D347-F349 HydrophobicContact CB-CZ 3.33Å; F349-R387 VanDerWaalsContact CE1-C 3.49Å; F349-R387 VanDerWaalsContact CZ-O 3.26Å; F349-R387 WeakPolarHBondContact CZ-O 3.46Å
350	V	91.3	Very high	91.3	Very high	32 Å²	32	48.4 Å²	48.4	19%	0.194	29%	0.292	C	S	.	.			trans	-114.6	129.5	178.6	-177.3	0	0	0	0	109.2	L294 V295 N352 L353	L294-V350 HydrophobicContact CB-CG1 4.46Å; L294-V350 HydrophobicContact CB-CG2 4.23Å; L294-V350 HydrophobicContact CD1-CG1 4.31Å; L294-V350 HydrophobicContact CD2-CG1 4.3Å; V295-V350 HydrophobicContact CG1-CG2 3.8Å; V350-N352 HydrophobicContact CG1-CB 4.28Å; V350-N352 PolarHBondContact O-N 2.82Å; V350-N352 VanDerWaalsContact O-N 3.12Å; V350-L353 HydrophobicContact CB-CB 4.43Å; V350-L353 HydrophobicContact CB-CD1 4.19Å; V350-L353 HydrophobicContact CB-CG 4.24Å; V350-L353 HydrophobicContact CG1-CG 4.48Å; V350-L353 PolarHBondContact O-N 3.33Å
351	P	88.8	Confident	91.5	Very high	118 Å²	118	46.6 Å²	46.6	77%	0.766	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.4	-176	25.1	-35.2	0	0	0	113.8	L353	P351-L353 VanDerWaalsContact C-N 3.32Å
352	N	90.3	Very high	91.9	Very high	130 Å²	130	42.5 Å²	42.5	70%	0.695	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.5	179.3	-62.4	-7.1	0	0	0	113.1	V350	V350-N352 HydrophobicContact CG1-CB 4.28Å; V350-N352 PolarHBondContact O-N 2.82Å; V350-N352 VanDerWaalsContact O-N 3.12Å
353	L	91.8	Very high	92.5	Very high	30 Å²	30	40 Å²	40	16%	0.157	24%	0.236	C	C	.	.			trans	-109.8	111	-179.4	-61.7	179.7	0	0	0	109.3	H291 L294 V295 V350 P351 V391	H291-L353 HydrophobicContact CB-CD1 4.24Å; L294-L353 HydrophobicContact CB-CD1 4.16Å; L294-L353 HydrophobicContact CD1-CD1 3.98Å; L294-L353 HydrophobicContact CD1-CD2 4.06Å; L294-L353 HydrophobicContact CD1-CG 3.99Å; V295-L353 HydrophobicContact CG1-CD1 4.19Å; V350-L353 HydrophobicContact CB-CB 4.43Å; V350-L353 HydrophobicContact CB-CD1 4.19Å; V350-L353 HydrophobicContact CB-CG 4.24Å; V350-L353 HydrophobicContact CG1-CG 4.48Å; V350-L353 PolarHBondContact O-N 3.33Å; P351-L353 VanDerWaalsContact C-N 3.32Å; L353-V391 HydrophobicContact CB-CB 3.96Å; L353-V391 HydrophobicContact CB-CG1 4.01Å; L353-V391 WeakPolarHBondContact CD1-O 3.39Å
354	S	92.2	Very high	92.9	Very high	35 Å²	35	38.8 Å²	38.8	25%	0.245	22%	0.222	C	C	.	.			trans	-132.8	158.1	179.4	59.7	0	0	0	0	110.7	D356	S354-D356 WeakPolarHBondContact CB-OD2 3.45Å; S354-D356 PolarHBondContact O-N 3.01Å; S354-D356 PolarHBondContact OG-OD2 3.49Å
355	H	93.1	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-79.9	50.7	175.5	-59.4	84.9	0	0	0	111.4	S362 F376 K381 C382 D386 V391	H355-S362 PolarHBondContact CD2-OG 2.52Å; H355-S362 WeakPolarHBondContact NE2-CB 3.1Å; H355-S362 PolarHBondContact NE2-OG 3.5Å; H355-F376 AromaticContact NE2-CZ 3.98Å; H355-K381 CarbonylContact O-C 3.56Å; H355-K381 VanDerWaalsContact O-CA 3.24Å; H355-K381 WeakPolarHBondContact O-CA 3.44Å; H355-C382 HydrophobicContact CB-CB 4.06Å; H355-C382 WeakPolarHBondContact CB-O 3.36Å; H355-C382 PolarHBondContact O-N 3.17Å; H355-D386 IonicContact CE1-OD1 3.5Å; H355-D386 IonicContact CG-OD1 3.97Å; H355-D386 PolarHBondContact N-OD1 3.07Å; H355-D386 IonicContact ND1-OD1 2.67Å; H355-D386 PolarHBondContact ND1-OD1 3.35Å; H355-V391 WeakPolarHBondContact CE1-CG2 3.35Å
356	D	91	Very high	92.9	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	25%	0.247	S	C	.	.			trans	-93.5	-5.7	-173.8	-83	-36	0	0	0	114.7	S354 K381 K383	S354-D356 WeakPolarHBondContact CB-OD2 3.45Å; S354-D356 PolarHBondContact O-N 3.01Å; S354-D356 PolarHBondContact OG-OD2 3.49Å; D356-K381 WeakPolarHBondContact O-CD 3.48Å; D356-K381 WeakPolarHBondContact O-CE 3.36Å; D356-K381 WeakPolarHBondContact O-CG 3.5Å; D356-K381 PolarHBondContact O-NZ 2.87Å; D356-K383 WeakPolarHBondContact OD1-CE 3.3Å; D356-K383 IonicContact OD1-NZ 3.54Å
357	T	90.4	Very high	92.7	Very high	55 Å²	55	42 Å²	42	34%	0.337	25%	0.245	S	C	.	.	S	Bend	trans	-131.7	163	-178.9	57.7	0	0	0	0	111.2	V360 T378 K394	T357-V360 WeakPolarHBondContact O-CG2 3.43Å; T357-V360 WeakPolarHBondContact OG1-CG2 3.36Å; T357-T378 PolarHBondContact O-OG1 3.21Å; T357-K394 WeakPolarHBondContact OG1-CE 3.47Å
358	R	92.6	Very high	92.5	Very high	78 Å²	78	47.9 Å²	47.9	29%	0.294	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	144.3	168.6	176	174.4	-174.5	104.9	-9.1	109.3	F379 L402 E406	R358-F379 WeakPolarHBondContact CB-O 3.42Å; R358-F379 WeakPolarHBondContact CD-O 3.49Å; R358-F379 VanDerWaalsContact CG-O 3.24Å; R358-F379 WeakPolarHBondContact CG-O 3.43Å; R358-F379 PolarHBondContact NH1-O 3.34Å; R358-L402 PolarHBondContact NH2-O 2.92Å; R358-E406 IonicContact CZ-OE2 2.8Å; R358-E406 VanDerWaalsContact NH1-CD 3.31Å; R358-E406 IonicContact NH1-OE1 2.92Å; R358-E406 PolarHBondContact NH1-OE1 2.92Å; R358-E406 IonicContact NH1-OE2 3.44Å; R358-E406 PolarHBondContact NH1-OE2 2.77Å; R358-E406 IonicContact NH2-OE2 3.96Å; R358-E406 PolarHBondContact NH2-OE2 2.83Å
359	G	93.3	Very high	92.4	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	26.5	177.3	0	0	0	0	0	113.2	T378 K394 V395	G359-T378 PolarHBondContact N-O 3.39Å; G359-K394 CarbonylContact O-C 3.43Å; G359-K394 WeakPolarHBondContact O-CA 3.1Å; G359-V395 WeakPolarHBondContact O-CG2 3.38Å; G359-V395 PolarHBondContact O-N 2.75Å
360	V	95.6	Very high	92.5	Very high	5 Å²	5	48 Å²	48	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.4	171.8	178.3	0	0	0	0	108.4	T357 I377 T378 V391	T357-V360 WeakPolarHBondContact O-CG2 3.43Å; T357-V360 WeakPolarHBondContact OG1-CG2 3.36Å; V360-I377 WeakPolarHBondContact O-CA 3.48Å; V360-T378 WeakPolarHBondContact CB-OG1 3.33Å; V360-T378 PolarHBondContact N-OG1 3.18Å; V360-T378 PolarHBondContact O-N 3.08Å; V360-V391 HydrophobicContact CG1-CB 4.38Å; V360-V391 HydrophobicContact CG1-CG1 3.46Å; V360-V391 VanDerWaalsContact CG1-CG1 3.46Å; V360-V391 HydrophobicContact CG1-CG2 4.07Å
361	V	96.5	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.9	-179.6	-168.3	0	0	0	0	109.5	L288 F375 F376 I377 F392 G393 V395	L288-V361 HydrophobicContact CD1-CG2 4.43Å; L288-V361 HydrophobicContact CD2-CG2 3.81Å; V361-F375 HydrophobicContact CG1-CD2 4.11Å; V361-F376 WeakPolarHBondContact CA-O 3.48Å; V361-I377 HydrophobicContact CG1-CG1 4.4Å; V361-I377 HydrophobicContact CG2-CD1 4.48Å; V361-I377 HydrophobicContact CG2-CG1 4.24Å; V361-F392 HydrophobicContact CB-CZ 4.39Å; V361-F392 HydrophobicContact CG1-CE1 3.73Å; V361-F392 HydrophobicContact CG1-CE2 4.04Å; V361-F392 HydrophobicContact CG1-CZ 3.41Å; V361-F392 VanDerWaalsContact CG1-CZ 3.41Å; V361-F392 PolarHBondContact O-N 2.94Å; V361-G393 PolarHBondContact N-O 3.43Å; V361-G393 PolarHBondContact O-N 3.13Å; V361-V395 HydrophobicContact CG2-CG2 4.13Å
362	S	96.6	Very high	92.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.6	-172	-50.6	0	0	0	0	112	H355 F375 F376 T390	H355-S362 PolarHBondContact CD2-OG 2.52Å; H355-S362 WeakPolarHBondContact NE2-CB 3.1Å; H355-S362 PolarHBondContact NE2-OG 3.5Å; S362-F375 CarbonylContact O-C 3.58Å; S362-F375 VanDerWaalsContact O-CA 3.29Å; S362-F375 WeakPolarHBondContact O-CA 3.43Å; S362-F375 WeakPolarHBondContact O-CB 3.33Å; S362-F376 VanDerWaalsContact CB-CZ 3.49Å; S362-F376 PolarHBondContact N-O 3.09Å; S362-F376 PolarHBondContact O-N 2.98Å; S362-T390 CarbonylContact C-O 3.57Å; S362-T390 WeakPolarHBondContact CA-O 3.36Å; S362-T390 WeakPolarHBondContact CB-O 3.47Å
363	M	96.7	Very high	93.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.4	178.7	-67.7	-58.8	-63.3	0	0	112.2	T298 F345 N371 R372 Q374 F375 F376 H389 T390 F392	T298-M363 HydrophobicContact CG2-CG 3.3Å; T298-M363 HydrophobicContact CG2-SD 3.84Å; F345-M363 HydrophobicContact CE1-CE 4.26Å; F345-M363 HydrophobicContact CZ-CE 3.98Å; F345-M363 HydrophobicContact CZ-CG 4.42Å; M363-N371 WeakPolarHBondContact CB-OD1 3.45Å; M363-N371 HydrophobicContact CE-CB 4.37Å; M363-R372 WeakPolarHBondContact CE-O 3.43Å; M363-Q374 VanDerWaalsContact CE-O 3.27Å; M363-Q374 WeakPolarHBondContact CE-O 3.37Å; M363-F375 HydrophobicContact SD-CB 4.4Å; M363-F376 WeakPolarHBondContact O-CE1 3.43Å; M363-H389 WeakPolarHBondContact O-CB 3.41Å; M363-H389 PolarHBondContact O-ND1 3.42Å; M363-T390 PolarHBondContact N-O 3.4Å; M363-F392 HydrophobicContact CG-CD1 3.94Å; M363-F392 HydrophobicContact CG-CE1 4.02Å; M363-F392 HydrophobicContact SD-CD1 4.09Å; M363-F392 HydrophobicContact SD-CE1 3.65Å; M363-F392 HydrophobicContact SD-CZ 4.28Å
364	A	95.4	Very high	93.3	Very high	11 Å²	11	39.2 Å²	39.2	9%	0.091	22%	0.22	C	C	.	.			trans	-81.4	138.5	166.6	0	0	0	0	0	109.7	Q374 F376	A364-Q374 HydrophobicContact CB-CB 3.8Å; A364-Q374 PolarHBondContact N-O 2.84Å; A364-F376 HydrophobicContact CB-CD1 4.17Å
365	N	94.4	Very high	93.5	Very high	35 Å²	35	37.5 Å²	37.5	19%	0.187	21%	0.208	C	C	.	.			trans	-142.8	165.8	-179.8	64.6	22.7	0	0	0	110.6	D347 K388 H389	D347-N365 PolarHBondContact OD1-ND2 2.92Å; N365-K388 PolarHBondContact ND2-O 3.15Å; N365-H389 PolarHBondContact OD1-CE1 3.26Å; N365-H389 PolarHBondContact OD1-ND1 3.22Å
366	S	90.3	Very high	93.7	Very high	123 Å²	123	37.8 Å²	37.8	86%	0.86	21%	0.209	S	C	*	.	S	Bend	trans	-110	20.9	177.8	-60.9	0	0	0	0	112.1	T370	S366-T370 PolarHBondContact N-OG1 2.98Å
367	G	89.4	Confident	93.9	Very high	32 Å²	32	35.4 Å²	35.4	33%	0.33	20%	0.196	S	C	.	.	S	Bend	trans	141.3	175.3	-170.4	0	0	0	0	0	111.8	N369 T370	G367-N369 PolarHBondContact O-N 3.39Å; G367-T370 PolarHBondContact N-OG1 2.93Å; G367-T370 VanDerWaalsContact N-OG1 3.15Å; G367-T370 PolarHBondContact O-N 3.48Å; G367-T370 PolarHBondContact O-OG1 2.99Å
368	L	89.4	Confident	94.1	Very high	144 Å²	144	32.8 Å²	32.8	75%	0.754	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	135.2	-179.1	-77.4	74.8	0	0	0	110.9	D347 T370	D347-L368 VanDerWaalsContact OD2-CA 3.31Å; D347-L368 WeakPolarHBondContact OD2-CA 3.46Å; L368-T370 VanDerWaalsContact C-N 3.31Å; L368-T370 PolarHBondContact O-N 2.81Å
369	N	89.7	Confident	94.1	Very high	85 Å²	85	29.2 Å²	29.2	46%	0.455	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	33.5	178.2	-56.8	-45	0	0	0	114.6	S344 F345 A346 D347 G367	S344-N369 PolarHBondContact OG-O 3.22Å; F345-N369 CarbonylContact O-C 3.57Å; F345-N369 VanDerWaalsContact O-C 3.31Å; A346-N369 VanDerWaalsContact CA-OD1 3.29Å; A346-N369 WeakPolarHBondContact CA-OD1 3.3Å; D347-N369 PolarHBondContact N-OD1 2.87Å; D347-N369 PolarHBondContact OD2-N 3.48Å; G367-N369 PolarHBondContact O-N 3.39Å
370	T	93.3	Very high	94	Very high	44 Å²	44	35.5 Å²	35.5	27%	0.27	19%	0.191	S	C	.	.			trans	-114.3	25.5	179.7	64.1	0	0	0	0	113.6	S366 G367 L368	S366-T370 PolarHBondContact N-OG1 2.98Å; G367-T370 PolarHBondContact N-OG1 2.93Å; G367-T370 VanDerWaalsContact N-OG1 3.15Å; G367-T370 PolarHBondContact O-N 3.48Å; G367-T370 PolarHBondContact O-OG1 2.99Å; L368-T370 VanDerWaalsContact C-N 3.31Å; L368-T370 PolarHBondContact O-N 2.81Å
371	N	94.3	Very high	93.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-66.9	137.7	179.8	-59.8	-55.8	0	0	0	111.2	S344 F345 A346 D347 M363	S344-N371 CarbonylContact C-O 3.55Å; S344-N371 WeakPolarHBondContact CA-O 3.35Å; F345-N371 HydrophobicContact CD1-CB 3.84Å; F345-N371 WeakPolarHBondContact CD1-O 3.37Å; F345-N371 HydrophobicContact CD2-CB 3.9Å; F345-N371 HydrophobicContact CE1-CB 3.49Å; F345-N371 VanDerWaalsContact CE1-CB 3.49Å; F345-N371 HydrophobicContact CE2-CB 3.53Å; F345-N371 HydrophobicContact CG-CB 4.03Å; F345-N371 HydrophobicContact CZ-CB 3.33Å; F345-N371 PolarHBondContact N-O 3.35Å; F345-N371 PolarHBondContact O-N 3.47Å; F345-N371 PolarHBondContact O-ND2 2.83Å; A346-N371 PolarHBondContact O-ND2 3.42Å; A346-N371 VanDerWaalsContact O-ND2 3.16Å; D347-N371 WeakPolarHBondContact CA-ND2 3.21Å; D347-N371 PolarHBondContact OD1-ND2 2.9Å; D347-N371 PolarHBondContact OD1-OD1 3.11Å; M363-N371 WeakPolarHBondContact CB-OD1 3.45Å; M363-N371 HydrophobicContact CE-CB 4.37Å
372	R	93.8	Very high	93.6	Very high	105 Å²	105	42.8 Å²	42.8	40%	0.396	22%	0.222	S	C	.	.			trans	-129.1	-118.3	177.9	-58	-169.1	-166.5	168.8	0.1	110.9	N301 G337 F345 M363	N301-R372 PolarHBondContact ND2-O 3Å; G337-R372 WeakPolarHBondContact O-CD 3.46Å; F345-R372 WeakPolarHBondContact CE1-O 3.24Å; M363-R372 WeakPolarHBondContact CE-O 3.43Å
373	S	95.5	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-104.3	-19.3	176.1	63.5	0	0	0	0	114	Y311 G328 G337 D338	Y311-S373 PolarHBondContact OH-O 3.38Å; G328-S373 CarbonylContact O-C 3.6Å; G328-S373 WeakPolarHBondContact O-CB 3Å; G328-S373 PolarHBondContact O-OG 2.84Å; G337-S373 WeakPolarHBondContact CA-OG 3.48Å; D338-S373 WeakPolarHBondContact O-CB 3.26Å
374	Q	96	Very high	92.9	Very high	20 Å²	20	54.3 Å²	54.3	9%	0.093	27%	0.274	C	S	.	.			trans	-71.5	138.9	-173.5	-63.8	-173	17.6	0	0	112.2	G327 D329 G334 G336 M363 A364	G327-Q374 WeakPolarHBondContact O-CA 3.34Å; D329-Q374 HydrophobicContact CB-CG 4.11Å; G334-Q374 VanDerWaalsContact C-NE2 3.32Å; G334-Q374 PolarHBondContact O-NE2 3.39Å; G334-Q374 PolarHBondContact O-OE1 3.14Å; G336-Q374 PolarHBondContact O-NE2 2.69Å; M363-Q374 VanDerWaalsContact CE-O 3.27Å; M363-Q374 WeakPolarHBondContact CE-O 3.37Å; A364-Q374 HydrophobicContact CB-CB 3.8Å; A364-Q374 PolarHBondContact N-O 2.84Å
375	F	96.7	Very high	92.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.9	178	66	-87.9	0	0	0	110.8	L279 F302 Y311 F316 Q326 G327 V361 S362 M363 F392 I422	L279-F375 HydrophobicContact CD1-CE2 4.32Å; L279-F375 HydrophobicContact CD1-CZ 4.08Å; F302-F375 HydrophobicContact CD2-CD1 4.37Å; F302-F375 AromaticContact CE2-CD1 3.9Å; F302-F375 HydrophobicContact CE2-CD1 3.9Å; F302-F375 AromaticContact CE2-CE1 3.81Å; F302-F375 HydrophobicContact CE2-CE1 3.81Å; F302-F375 HydrophobicContact CE2-CG 4.29Å; F302-F375 HydrophobicContact CE2-CZ 4.14Å; Y311-F375 HydrophobicContact CD1-CE1 4.38Å; Y311-F375 HydrophobicContact CE1-CD1 4.41Å; Y311-F375 HydrophobicContact CE1-CE1 4.09Å; Y311-F375 HydrophobicContact CE2-CE1 4.42Å; F316-F375 HydrophobicContact CE1-CE2 4.16Å; F316-F375 HydrophobicContact CE1-CZ 4.42Å; Q326-F375 WeakPolarHBondContact CA-O 3.18Å; G327-F375 PolarHBondContact N-O 3.23Å; G327-F375 PolarHBondContact O-N 3.37Å; V361-F375 HydrophobicContact CG1-CD2 4.11Å; S362-F375 CarbonylContact O-C 3.58Å; S362-F375 VanDerWaalsContact O-CA 3.29Å; S362-F375 WeakPolarHBondContact O-CA 3.43Å; S362-F375 WeakPolarHBondContact O-CB 3.33Å; M363-F375 HydrophobicContact SD-CB 4.4Å; F375-F392 HydrophobicContact CB-CE1 4.12Å; F375-F392 HydrophobicContact CB-CZ 4.16Å; F375-I422 HydrophobicContact CZ-CD1 4.09Å
376	F	96.1	Very high	92.5	Very high	5 Å²	5	55 Å²	55	2%	0.022	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.5	175.3	66	-93.7	0	0	0	111.7	I324 V325 Q326 H355 V361 S362 M363 A364 T378 L385 H389	I324-F376 HydrophobicContact CB-CB 4.43Å; I324-F376 HydrophobicContact CB-CD2 4.14Å; I324-F376 HydrophobicContact CD1-CB 4.44Å; I324-F376 HydrophobicContact CD1-CD2 4.49Å; I324-F376 HydrophobicContact CD1-CG 4.41Å; I324-F376 HydrophobicContact CG2-CD2 3.72Å; I324-F376 HydrophobicContact CG2-CE2 4.13Å; V325-F376 CarbonylContact O-C 3.51Å; V325-F376 WeakPolarHBondContact O-CA 3.46Å; V325-F376 WeakPolarHBondContact O-CB 3.33Å; Q326-F376 HydrophobicContact CB-CB 3.92Å; Q326-F376 HydrophobicContact CG-CB 4.34Å; H355-F376 AromaticContact NE2-CZ 3.98Å; V361-F376 WeakPolarHBondContact CA-O 3.48Å; S362-F376 VanDerWaalsContact CB-CZ 3.49Å; S362-F376 PolarHBondContact N-O 3.09Å; S362-F376 PolarHBondContact O-N 2.98Å; M363-F376 WeakPolarHBondContact O-CE1 3.43Å; A364-F376 HydrophobicContact CB-CD1 4.17Å; F376-T378 HydrophobicContact CD2-CG2 4.29Å; F376-T378 HydrophobicContact CE2-CG2 4.01Å; F376-L385 HydrophobicContact CE2-CD1 3.76Å; F376-L385 HydrophobicContact CZ-CD1 3.96Å; F376-H389 HydrophobicContact CE1-CB 3.91Å; F376-H389 AromaticContact CE1-CG 3.65Å; F376-H389 AromaticContact CE1-ND1 3.77Å; F376-H389 HydrophobicContact CZ-CB 3.75Å; F376-H389 AromaticContact CZ-CG 3.71Å
377	I	96	Very high	92.4	Very high	1 Å²	1	59 Å²	59	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.3	178.4	-51.3	-176.2	0	0	0	108.6	L286 I324 V325 V360 V361 V395 L402	L286-I377 HydrophobicContact CD2-CD1 3.39Å; I324-I377 VanDerWaalsContact CA-O 3.3Å; I324-I377 WeakPolarHBondContact CA-O 3.23Å; V325-I377 HydrophobicContact CG1-CB 3.88Å; V325-I377 PolarHBondContact N-O 3.35Å; V325-I377 PolarHBondContact O-N 3.26Å; V360-I377 WeakPolarHBondContact O-CA 3.48Å; V361-I377 HydrophobicContact CG1-CG1 4.4Å; V361-I377 HydrophobicContact CG2-CD1 4.48Å; V361-I377 HydrophobicContact CG2-CG1 4.24Å; I377-V395 HydrophobicContact CD1-CG2 4.32Å; I377-V395 HydrophobicContact CG2-CG2 3.89Å; I377-L402 HydrophobicContact CG2-CD1 4.35Å; I377-L402 HydrophobicContact CG2-CD2 3.99Å
378	T	95.3	Very high	92.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.4	-180	63.5	0	0	0	0	112.7	I324 T357 G359 V360 F376 C382	I324-T378 HydrophobicContact CG2-CG2 4.2Å; T357-T378 PolarHBondContact O-OG1 3.21Å; G359-T378 PolarHBondContact N-O 3.39Å; V360-T378 WeakPolarHBondContact CB-OG1 3.33Å; V360-T378 PolarHBondContact N-OG1 3.18Å; V360-T378 PolarHBondContact O-N 3.08Å; F376-T378 HydrophobicContact CD2-CG2 4.29Å; F376-T378 HydrophobicContact CE2-CG2 4.01Å; T378-C382 HydrophobicContact CG2-CB 4.47Å
379	F	92.7	Very high	92.8	Very high	3 Å²	3	58 Å²	58	1%	0.013	25%	0.253	C	S	.	.	S	Bend	trans	-90.1	-24.3	171.8	-67.3	-55	0	0	0	113.2	L319 F323 V325 R358 L402 I405 E406	L319-F379 HydrophobicContact CD1-CE2 3.63Å; L319-F379 HydrophobicContact CD1-CZ 3.83Å; F323-F379 PolarHBondContact O-N 3.29Å; V325-F379 HydrophobicContact CB-CE2 3.89Å; V325-F379 HydrophobicContact CB-CZ 3.69Å; V325-F379 HydrophobicContact CG1-CE1 4.24Å; V325-F379 HydrophobicContact CG1-CE2 4.2Å; V325-F379 HydrophobicContact CG1-CZ 3.65Å; R358-F379 WeakPolarHBondContact CB-O 3.42Å; R358-F379 WeakPolarHBondContact CD-O 3.49Å; R358-F379 VanDerWaalsContact CG-O 3.24Å; R358-F379 WeakPolarHBondContact CG-O 3.43Å; R358-F379 PolarHBondContact NH1-O 3.34Å; F379-L402 HydrophobicContact CD1-CB 4.43Å; F379-L402 HydrophobicContact CE1-CB 4.1Å; F379-L402 HydrophobicContact CE1-CD2 3.97Å; F379-L402 WeakPolarHBondContact CE1-O 3.04Å; F379-I405 HydrophobicContact CZ-CG2 4.08Å; F379-E406 WeakPolarHBondContact CB-OE1 3.48Å; F379-E406 HydrophobicContact CD1-CB 4.15Å; F379-E406 HydrophobicContact CD1-CG 4.42Å; F379-E406 HydrophobicContact CD2-CG 4.39Å; F379-E406 HydrophobicContact CE1-CB 4.02Å; F379-E406 HydrophobicContact CE2-CB 4.47Å; F379-E406 HydrophobicContact CG-CB 4.44Å; F379-E406 HydrophobicContact CG-CG 4.26Å; F379-E406 HydrophobicContact CZ-CB 4.18Å
380	R	91.2	Very high	93.1	Very high	133 Å²	133	54 Å²	54	50%	0.502	23%	0.232	S	C	.	.	S	Bend	trans	-139.9	174.9	-178.2	-68.5	-170.4	177.1	-173.8	1.9	111.5	Y322 C382	Y322-R380 VanDerWaalsContact CD1-CZ 3.44Å; Y322-R380 VanDerWaalsContact CE1-NH2 3.31Å; Y322-R380 WeakPolarHBondContact O-CD 3.5Å; Y322-R380 WeakPolarHBondContact O-CG 3.34Å; R380-C382 PolarHBondContact O-N 3.4Å; R380-C382 PolarHBondContact O-SG 2.67Å
381	K	92.5	Very high	93.2	Very high	153 Å²	153	52.4 Å²	52.4	67%	0.665	22%	0.222	S	C	*	.			trans	-64.6	123.3	173.2	-47.7	-162.2	176.4	-165	0	109.9	H355 D356	H355-K381 CarbonylContact O-C 3.56Å; H355-K381 VanDerWaalsContact O-CA 3.24Å; H355-K381 WeakPolarHBondContact O-CA 3.44Å; D356-K381 WeakPolarHBondContact O-CD 3.48Å; D356-K381 WeakPolarHBondContact O-CE 3.36Å; D356-K381 WeakPolarHBondContact O-CG 3.5Å; D356-K381 PolarHBondContact O-NZ 2.87Å
382	C	89.4	Confident	93.3	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.027	22%	0.222	C	C	.	.			trans	-130.2	58.1	-173.8	-62.2	0	0	0	0	111.7	F323 H355 T378 R380 H384 L385	F323-C382 VanDerWaalsContact CD2-SG 3.59Å; F323-C382 HydrophobicContact CE2-CB 4.23Å; H355-C382 HydrophobicContact CB-CB 4.06Å; H355-C382 WeakPolarHBondContact CB-O 3.36Å; H355-C382 PolarHBondContact O-N 3.17Å; T378-C382 HydrophobicContact CG2-CB 4.47Å; R380-C382 PolarHBondContact O-N 3.4Å; R380-C382 PolarHBondContact O-SG 2.67Å; C382-H384 PolarHBondContact O-N 3.43Å; C382-L385 HydrophobicContact CB-CD1 3.71Å; C382-L385 HydrophobicContact CB-CG 4.05Å; C382-L385 WeakPolarHBondContact O-CB 3.39Å; C382-L385 PolarHBondContact O-N 3.29Å
383	K	89.5	Confident	93.4	Very high	139 Å²	139	47.4 Å²	47.4	60%	0.604	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-53.2	-22.4	-178.2	-67.4	-173.4	170.9	-173.4	0	115.3	D356 L385 D386	D356-K383 WeakPolarHBondContact OD1-CE 3.3Å; D356-K383 IonicContact OD1-NZ 3.54Å; K383-L385 PolarHBondContact O-N 3.26Å; K383-D386 WeakPolarHBondContact CA-OD2 3.41Å; K383-D386 WeakPolarHBondContact O-CB 3.42Å; K383-D386 PolarHBondContact O-N 3.23Å
384	H	89.3	Confident	93.4	Very high	103 Å²	103	51.5 Å²	51.5	48%	0.477	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-72.5	-12	178.3	62	-89.9	0	0	0	114	F323 C382 K388	F323-H384 AromaticContact CE2-CE1 3.48Å; F323-H384 VanDerWaalsContact CE2-CE1 3.48Å; F323-H384 WeakPolarHBondContact CE2-CE1 3.49Å; F323-H384 AromaticContact CE2-NE2 3.21Å; F323-H384 WeakPolarHBondContact CE2-NE2 3.23Å; F323-H384 AromaticContact CZ-NE2 3.44Å; F323-H384 WeakPolarHBondContact CZ-NE2 3.25Å; C382-H384 PolarHBondContact O-N 3.43Å; H384-K388 WeakPolarHBondContact O-CD 3.26Å; H384-K388 WeakPolarHBondContact O-CE 3.48Å; H384-K388 PolarHBondContact O-NZ 3.15Å
385	L	91.4	Very high	93.4	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-91.4	-11.4	174.1	-58.8	-179.6	0	0	0	112.5	F323 I324 F376 C382 K383 R387 K388 H389	F323-L385 HydrophobicContact CE2-CD1 4.03Å; F323-L385 HydrophobicContact CZ-CD1 4.12Å; F323-L385 HydrophobicContact CZ-CD2 4.28Å; I324-L385 HydrophobicContact CG2-CD1 4.45Å; F376-L385 HydrophobicContact CE2-CD1 3.76Å; F376-L385 HydrophobicContact CZ-CD1 3.96Å; C382-L385 HydrophobicContact CB-CD1 3.71Å; C382-L385 HydrophobicContact CB-CG 4.05Å; C382-L385 WeakPolarHBondContact O-CB 3.39Å; C382-L385 PolarHBondContact O-N 3.29Å; K383-L385 PolarHBondContact O-N 3.26Å; L385-R387 PolarHBondContact O-N 2.92Å; L385-K388 PolarHBondContact O-N 3.29Å; L385-K388 VanDerWaalsContact O-N 3.15Å; L385-H389 PolarHBondContact O-N 3.35Å
386	D	90	Very high	93.3	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.241	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	137	178.1	-63.5	-17.6	0	0	0	110.2	H355 K383 K388	H355-D386 IonicContact CE1-OD1 3.5Å; H355-D386 IonicContact CG-OD1 3.97Å; H355-D386 PolarHBondContact N-OD1 3.07Å; H355-D386 IonicContact ND1-OD1 2.67Å; H355-D386 PolarHBondContact ND1-OD1 3.35Å; K383-D386 WeakPolarHBondContact CA-OD2 3.41Å; K383-D386 WeakPolarHBondContact O-CB 3.42Å; K383-D386 PolarHBondContact O-N 3.23Å; D386-K388 PolarHBondContact O-N 2.91Å; D386-K388 VanDerWaalsContact O-N 3.17Å
387	R	88.6	Confident	93.1	Very high	208 Å²	208	54.9 Å²	54.9	79%	0.785	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	14.2	-175.7	-50.5	179.7	178.9	-180	-1.2	115.3	F349 L385	F349-R387 VanDerWaalsContact CE1-C 3.49Å; F349-R387 VanDerWaalsContact CZ-O 3.26Å; F349-R387 WeakPolarHBondContact CZ-O 3.46Å; L385-R387 PolarHBondContact O-N 2.92Å
388	K	92.8	Very high	92.7	Very high	121 Å²	121	56 Å²	56	53%	0.526	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-39.8	170.2	-64	179.9	-175.6	163	0	111.5	N365 H384 L385 D386	N365-K388 PolarHBondContact ND2-O 3.15Å; H384-K388 WeakPolarHBondContact O-CD 3.26Å; H384-K388 WeakPolarHBondContact O-CE 3.48Å; H384-K388 PolarHBondContact O-NZ 3.15Å; L385-K388 PolarHBondContact O-N 3.29Å; L385-K388 VanDerWaalsContact O-N 3.15Å; D386-K388 PolarHBondContact O-N 2.91Å; D386-K388 VanDerWaalsContact O-N 3.17Å
389	H	94.3	Very high	92.3	Very high	34 Å²	34	60.5 Å²	60.5	16%	0.157	28%	0.283	C	S	.	.	S	Bend	trans	-117.3	135.8	178.7	-61.6	-72.6	0	0	0	110.1	M363 N365 F376 L385 V391	M363-H389 WeakPolarHBondContact O-CB 3.41Å; M363-H389 PolarHBondContact O-ND1 3.42Å; N365-H389 PolarHBondContact OD1-CE1 3.26Å; N365-H389 PolarHBondContact OD1-ND1 3.22Å; F376-H389 HydrophobicContact CE1-CB 3.91Å; F376-H389 AromaticContact CE1-CG 3.65Å; F376-H389 AromaticContact CE1-ND1 3.77Å; F376-H389 HydrophobicContact CZ-CB 3.75Å; F376-H389 AromaticContact CZ-CG 3.71Å; L385-H389 PolarHBondContact O-N 3.35Å; H389-V391 PolarHBondContact O-N 3.14Å
390	T	95.3	Very high	92.2	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.315	C	S	.	.			trans	-72.6	113.5	177.5	-58.2	0	0	0	0	109.5	V295 T298 D347 E348 S362 M363	V295-T390 HydrophobicContact CB-CG2 4.47Å; V295-T390 HydrophobicContact CG1-CG2 4.25Å; T298-T390 HydrophobicContact CG2-CG2 4.06Å; T298-T390 WeakPolarHBondContact OG1-CG2 3.35Å; D347-T390 WeakPolarHBondContact CA-OG1 3.45Å; E348-T390 HydrophobicContact CB-CG2 3.89Å; E348-T390 PolarHBondContact N-OG1 2.8Å; E348-T390 VanDerWaalsContact N-OG1 3.08Å; E348-T390 WeakPolarHBondContact O-CG2 3.32Å; S362-T390 CarbonylContact C-O 3.57Å; S362-T390 WeakPolarHBondContact CA-O 3.36Å; S362-T390 WeakPolarHBondContact CB-O 3.47Å; M363-T390 PolarHBondContact N-O 3.4Å
391	V	96.2	Very high	92	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.4	172	176.6	0	0	0	0	108.1	L353 H355 V360 H389	L353-V391 HydrophobicContact CB-CB 3.96Å; L353-V391 HydrophobicContact CB-CG1 4.01Å; L353-V391 WeakPolarHBondContact CD1-O 3.39Å; H355-V391 WeakPolarHBondContact CE1-CG2 3.35Å; V360-V391 HydrophobicContact CG1-CB 4.38Å; V360-V391 HydrophobicContact CG1-CG1 3.46Å; V360-V391 VanDerWaalsContact CG1-CG1 3.46Å; V360-V391 HydrophobicContact CG1-CG2 4.07Å; H389-V391 PolarHBondContact O-N 3.14Å
392	F	96.2	Very high	91.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	-7.7	-176.9	73.5	-87.9	0	0	0	115.5	L290 H291 V295 T298 F302 V361 M363 F375	L290-F392 WeakPolarHBondContact CA-O 3.24Å; L290-F392 HydrophobicContact CD2-CD2 3.86Å; L290-F392 HydrophobicContact CD2-CE2 3.81Å; H291-F392 PolarHBondContact N-O 2.58Å; V295-F392 HydrophobicContact CG2-CB 3.59Å; T298-F392 HydrophobicContact CG2-CB 3.57Å; T298-F392 HydrophobicContact CG2-CD1 3.69Å; T298-F392 HydrophobicContact CG2-CD2 4.4Å; T298-F392 HydrophobicContact CG2-CE1 4.48Å; T298-F392 HydrophobicContact CG2-CG 3.64Å; F302-F392 HydrophobicContact CB-CE2 3.95Å; F302-F392 HydrophobicContact CD1-CE2 4.1Å; F302-F392 AromaticContact CD2-CE2 3.77Å; F302-F392 HydrophobicContact CD2-CE2 3.77Å; F302-F392 AromaticContact CD2-CZ 3.76Å; F302-F392 HydrophobicContact CD2-CZ 3.76Å; F302-F392 HydrophobicContact CE2-CE2 4.29Å; F302-F392 HydrophobicContact CE2-CZ 4.16Å; F302-F392 AromaticContact CG-CE2 3.66Å; F302-F392 HydrophobicContact CG-CE2 3.66Å; F302-F392 HydrophobicContact CG-CZ 4.14Å; V361-F392 HydrophobicContact CB-CZ 4.39Å; V361-F392 HydrophobicContact CG1-CE1 3.73Å; V361-F392 HydrophobicContact CG1-CE2 4.04Å; V361-F392 HydrophobicContact CG1-CZ 3.41Å; V361-F392 VanDerWaalsContact CG1-CZ 3.41Å; V361-F392 PolarHBondContact O-N 2.94Å; M363-F392 HydrophobicContact CG-CD1 3.94Å; M363-F392 HydrophobicContact CG-CE1 4.02Å; M363-F392 HydrophobicContact SD-CD1 4.09Å; M363-F392 HydrophobicContact SD-CE1 3.65Å; M363-F392 HydrophobicContact SD-CZ 4.28Å; F375-F392 HydrophobicContact CB-CE1 4.12Å; F375-F392 HydrophobicContact CB-CZ 4.16Å
393	G	96.1	Very high	91.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-178.5	175.3	0	0	0	0	0	114.2	E289 V361	E289-G393 CarbonylContact O-C 3.58Å; E289-G393 WeakPolarHBondContact O-CA 3.28Å; V361-G393 PolarHBondContact N-O 3.43Å; V361-G393 PolarHBondContact O-N 3.13Å
394	K	95.3	Very high	91.8	Very high	85 Å²	85	54 Å²	54	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.7	177.3	-168.1	177.7	177.9	-179.3	0	110.6	E289 T357 G359 V396	E289-K394 PolarHBondContact N-O 3.33Å; E289-K394 PolarHBondContact O-N 2.84Å; T357-K394 WeakPolarHBondContact OG1-CE 3.47Å; G359-K394 CarbonylContact O-C 3.43Å; G359-K394 WeakPolarHBondContact O-CA 3.1Å; K394-V396 PolarHBondContact O-N 3.24Å
395	V	95.9	Very high	91.9	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	120.4	171.7	178.6	0	0	0	0	108.8	L286 N287 L288 G359 V361 I377 G397 L399 L402	L286-V395 HydrophobicContact CD1-CB 4.42Å; L286-V395 HydrophobicContact CD1-CG1 3.47Å; L286-V395 VanDerWaalsContact CD1-CG1 3.47Å; L286-V395 HydrophobicContact CD1-CG2 4.04Å; L286-V395 HydrophobicContact CD2-CG2 4.37Å; L286-V395 HydrophobicContact CG-CG1 4.32Å; L286-V395 HydrophobicContact CG-CG2 4.39Å; N287-V395 WeakPolarHBondContact O-CA 3.15Å; L288-V395 HydrophobicContact CD2-CB 4.25Å; L288-V395 HydrophobicContact CD2-CG2 3.51Å; G359-V395 WeakPolarHBondContact O-CG2 3.38Å; G359-V395 PolarHBondContact O-N 2.75Å; V361-V395 HydrophobicContact CG2-CG2 4.13Å; I377-V395 HydrophobicContact CD1-CG2 4.32Å; I377-V395 HydrophobicContact CG2-CG2 3.89Å; V395-G397 WeakPolarHBondContact CG1-O 3.49Å; V395-L399 HydrophobicContact CG1-CD2 4.12Å; V395-L402 HydrophobicContact CB-CD1 4.34Å; V395-L402 HydrophobicContact CG1-CD1 4.11Å; V395-L402 HydrophobicContact CG2-CD1 4.17Å
396	V	94.3	Very high	91.9	Very high	72 Å²	72	49.4 Å²	49.4	44%	0.436	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-22	178.1	-70.1	0	0	0	0	112.7	N287 E289 K394	N287-V396 HydrophobicContact CB-CG2 3.97Å; N287-V396 WeakPolarHBondContact O-CG2 3.42Å; N287-V396 PolarHBondContact O-N 3.11Å; E289-V396 HydrophobicContact CB-CG1 3.55Å; E289-V396 HydrophobicContact CB-CG2 4.31Å; K394-V396 PolarHBondContact O-N 3.24Å
397	G	91.8	Very high	91.8	Very high	17 Å²	17	54 Å²	54	18%	0.175	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.5	177.5	0	0	0	0	0	111.4	N287 V395	N287-G397 PolarHBondContact N-O 3.04Å; N287-G397 PolarHBondContact O-N 2.75Å; V395-G397 WeakPolarHBondContact CG1-O 3.49Å
398	G	88	Confident	91.8	Very high	26 Å²	26	45.3 Å²	45.3	27%	0.268	24%	0.239	S	C	.	.			trans	84.8	29.9	-172.5	0	0	0	0	0	113.6	K285 D400 F401 L402	K285-G398 WeakPolarHBondContact O-CA 3.13Å; G398-D400 PolarHBondContact O-N 2.9Å; G398-F401 WeakPolarHBondContact O-CB 3.47Å; G398-F401 PolarHBondContact O-N 3.36Å; G398-L402 PolarHBondContact O-N 2.8Å
399	L	88.1	Confident	91.7	Very high	94 Å²	94	46.3 Å²	46.3	49%	0.492	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-31	174.5	-66	174.7	0	0	0	112.2	V395 F401 L402 G403	V395-L399 HydrophobicContact CG1-CD2 4.12Å; L399-F401 VanDerWaalsContact C-N 3.29Å; L399-F401 PolarHBondContact O-N 2.83Å; L399-L402 HydrophobicContact CD2-CD1 4.21Å; L399-L402 WeakPolarHBondContact O-CB 3.43Å; L399-L402 PolarHBondContact O-N 2.97Å; L399-G403 PolarHBondContact O-N 3.11Å
400	D	89.3	Confident	91.6	Very high	130 Å²	130	46.9 Å²	46.9	70%	0.695	25%	0.252	S	S	*	.	H	α-helix	trans	-62.5	-37.6	175.6	-56.3	-26.4	0	0	0	111.7	G398 G403 K404	G398-D400 PolarHBondContact O-N 2.9Å; D400-G403 PolarHBondContact O-N 2.8Å; D400-K404 WeakPolarHBondContact O-CG 3.37Å; D400-K404 PolarHBondContact O-N 3.25Å
401	F	88.3	Confident	91.3	Very high	9 Å²	9	51 Å²	51	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-45.1	174.2	164.8	-93.6	0	0	0	111.2	T281 H283 L286 G398 L399 G403 K404 I405 I420	T281-F401 HydrophobicContact CG2-CE2 4.27Å; T281-F401 HydrophobicContact CG2-CZ 3.86Å; T281-F401 WeakPolarHBondContact OG1-CE2 3.18Å; T281-F401 VanDerWaalsContact OG1-CZ 3.27Å; T281-F401 WeakPolarHBondContact OG1-CZ 3.35Å; H283-F401 HydrophobicContact CB-CD2 3.74Å; H283-F401 HydrophobicContact CB-CE2 3.76Å; L286-F401 HydrophobicContact CB-CD1 4.36Å; L286-F401 HydrophobicContact CB-CE1 4.37Å; L286-F401 HydrophobicContact CD1-CD1 3.92Å; L286-F401 HydrophobicContact CD1-CE1 4.38Å; L286-F401 HydrophobicContact CD2-CE1 4.23Å; G398-F401 WeakPolarHBondContact O-CB 3.47Å; G398-F401 PolarHBondContact O-N 3.36Å; L399-F401 VanDerWaalsContact C-N 3.29Å; L399-F401 PolarHBondContact O-N 2.83Å; F401-G403 VanDerWaalsContact C-N 3.27Å; F401-G403 PolarHBondContact O-N 2.96Å; F401-K404 PolarHBondContact O-N 2.86Å; F401-I405 HydrophobicContact CD1-CD1 3.87Å; F401-I405 HydrophobicContact CD2-CD1 3.81Å; F401-I405 HydrophobicContact CD2-CG1 4.4Å; F401-I405 HydrophobicContact CE1-CD1 3.32Å; F401-I405 HydrophobicContact CE2-CD1 3.21Å; F401-I405 HydrophobicContact CE2-CG1 4.15Å; F401-I405 HydrophobicContact CG-CD1 4.13Å; F401-I405 HydrophobicContact CZ-CD1 2.99Å; F401-I405 HydrophobicContact CZ-CG1 4.29Å; F401-I405 WeakPolarHBondContact O-CG1 3.42Å; F401-I405 PolarHBondContact O-N 3.1Å; F401-I420 HydrophobicContact CE2-CG2 4.4Å; F401-I420 HydrophobicContact CZ-CG2 4.23Å
402	L	89	Confident	90.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-38	174.4	-66.4	178.6	0	0	0	111.8	L286 R358 I377 F379 V395 G398 L399 E406	L286-L402 HydrophobicContact CD1-CD2 4.38Å; L286-L402 HydrophobicContact CD1-CG 4.22Å; R358-L402 PolarHBondContact NH2-O 2.92Å; I377-L402 HydrophobicContact CG2-CD1 4.35Å; I377-L402 HydrophobicContact CG2-CD2 3.99Å; F379-L402 HydrophobicContact CD1-CB 4.43Å; F379-L402 HydrophobicContact CE1-CB 4.1Å; F379-L402 HydrophobicContact CE1-CD2 3.97Å; F379-L402 WeakPolarHBondContact CE1-O 3.04Å; V395-L402 HydrophobicContact CB-CD1 4.34Å; V395-L402 HydrophobicContact CG1-CD1 4.11Å; V395-L402 HydrophobicContact CG2-CD1 4.17Å; G398-L402 PolarHBondContact O-N 2.8Å; L399-L402 HydrophobicContact CD2-CD1 4.21Å; L399-L402 WeakPolarHBondContact O-CB 3.43Å; L399-L402 PolarHBondContact O-N 2.97Å; L402-E406 VanDerWaalsContact O-CB 3.26Å; L402-E406 WeakPolarHBondContact O-CB 3.49Å; L402-E406 PolarHBondContact O-N 3.23Å; L402-E406 VanDerWaalsContact O-N 3.08Å
403	G	89.4	Confident	90.5	Very high	24 Å²	24	65.4 Å²	65.4	25%	0.247	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-43.4	176	0	0	0	0	0	112.8	L399 D400 F401	L399-G403 PolarHBondContact O-N 3.11Å; D400-G403 PolarHBondContact O-N 2.8Å; F401-G403 VanDerWaalsContact C-N 3.27Å; F401-G403 PolarHBondContact O-N 2.96Å
404	K	89.2	Confident	90.2	Very high	132 Å²	132	67.8 Å²	67.8	57%	0.574	35%	0.354	S	S	*	.	H	α-helix	trans	-63.6	-49	176.5	-71.8	176.8	-176.8	-178.7	0	111.7	D400 F401 E406 M407	D400-K404 WeakPolarHBondContact O-CG 3.37Å; D400-K404 PolarHBondContact O-N 3.25Å; F401-K404 PolarHBondContact O-N 2.86Å; K404-E406 VanDerWaalsContact C-N 3.34Å; K404-E406 PolarHBondContact O-N 3.42Å; K404-M407 PolarHBondContact O-N 3.35Å
405	I	90.4	Very high	90	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-40.4	-178	-73.2	178.9	0	0	0	111.9	L319 V325 F379 F401 M407 M408 I420	L319-I405 HydrophobicContact CD1-CG2 3.58Å; L319-I405 HydrophobicContact CD2-CG2 4.08Å; L319-I405 WeakPolarHBondContact CD2-O 2.87Å; L319-I405 HydrophobicContact CG-CG2 4.49Å; V325-I405 HydrophobicContact CG2-CG2 4.25Å; F379-I405 HydrophobicContact CZ-CG2 4.08Å; F401-I405 HydrophobicContact CD1-CD1 3.87Å; F401-I405 HydrophobicContact CD2-CD1 3.81Å; F401-I405 HydrophobicContact CD2-CG1 4.4Å; F401-I405 HydrophobicContact CE1-CD1 3.32Å; F401-I405 HydrophobicContact CE2-CD1 3.21Å; F401-I405 HydrophobicContact CE2-CG1 4.15Å; F401-I405 HydrophobicContact CG-CD1 4.13Å; F401-I405 HydrophobicContact CZ-CD1 2.99Å; F401-I405 HydrophobicContact CZ-CG1 4.29Å; F401-I405 WeakPolarHBondContact O-CG1 3.42Å; F401-I405 PolarHBondContact O-N 3.1Å; I405-M407 PolarHBondContact O-N 2.82Å; I405-M407 VanDerWaalsContact O-N 3.12Å; I405-M408 HydrophobicContact CB-CE 4.05Å; I405-M408 HydrophobicContact CG1-CE 3.79Å; I405-M408 HydrophobicContact CG2-CE 3.96Å; I405-M408 PolarHBondContact O-N 2.78Å; I405-I420 HydrophobicContact CB-CD1 4.45Å; I405-I420 HydrophobicContact CD1-CD1 3.89Å; I405-I420 HydrophobicContact CD1-CG2 3.71Å; I405-I420 HydrophobicContact CG1-CD1 4.01Å; I405-I420 HydrophobicContact CG2-CD1 3.68Å
406	E	90.6	Very high	89.8	Confident	20 Å²	20	69.3 Å²	69.3	9%	0.093	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-23.4	179.2	-177.3	175.8	-150.1	0	0	113.3	R321 Y322 R358 F379 L402 K404	R321-E406 PolarHBondContact NE-O 3.24Å; Y322-E406 WeakPolarHBondContact CA-OE1 3.1Å; Y322-E406 HydrophobicContact CD1-CG 4.38Å; Y322-E406 WeakPolarHBondContact CD1-OE1 3.41Å; R358-E406 IonicContact CZ-OE2 2.8Å; R358-E406 VanDerWaalsContact NH1-CD 3.31Å; R358-E406 IonicContact NH1-OE1 2.92Å; R358-E406 PolarHBondContact NH1-OE1 2.92Å; R358-E406 IonicContact NH1-OE2 3.44Å; R358-E406 PolarHBondContact NH1-OE2 2.77Å; R358-E406 IonicContact NH2-OE2 3.96Å; R358-E406 PolarHBondContact NH2-OE2 2.83Å; F379-E406 WeakPolarHBondContact CB-OE1 3.48Å; F379-E406 HydrophobicContact CD1-CB 4.15Å; F379-E406 HydrophobicContact CD1-CG 4.42Å; F379-E406 HydrophobicContact CD2-CG 4.39Å; F379-E406 HydrophobicContact CE1-CB 4.02Å; F379-E406 HydrophobicContact CE2-CB 4.47Å; F379-E406 HydrophobicContact CG-CB 4.44Å; F379-E406 HydrophobicContact CG-CG 4.26Å; F379-E406 HydrophobicContact CZ-CB 4.18Å; L402-E406 VanDerWaalsContact O-CB 3.26Å; L402-E406 WeakPolarHBondContact O-CB 3.49Å; L402-E406 PolarHBondContact O-N 3.23Å; L402-E406 VanDerWaalsContact O-N 3.08Å; K404-E406 VanDerWaalsContact C-N 3.34Å; K404-E406 PolarHBondContact O-N 3.42Å
407	M	89.4	Confident	89.6	Confident	143 Å²	143	71.2 Å²	71.2	70%	0.704	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.8	178.4	-65.5	-171.7	-177.3	0	0	114.1	K404 I405	K404-M407 PolarHBondContact O-N 3.35Å; I405-M407 PolarHBondContact O-N 2.82Å; I405-M407 VanDerWaalsContact O-N 3.12Å
408	M	88.8	Confident	89.5	Confident	24 Å²	24	76.2 Å²	76.2	12%	0.118	38%	0.384	C	S	.	.	S	Bend	trans	-71.4	148.8	-178.2	-63.5	-169.7	-49.7	0	0	112.2	L319 I405 P416 I420	L319-M408 HydrophobicContact CD2-CB 4.16Å; L319-M408 HydrophobicContact CD2-CE 4.29Å; I405-M408 HydrophobicContact CB-CE 4.05Å; I405-M408 HydrophobicContact CG1-CE 3.79Å; I405-M408 HydrophobicContact CG2-CE 3.96Å; I405-M408 PolarHBondContact O-N 2.78Å; M408-P416 HydrophobicContact CE-CB 4.5Å; M408-I420 HydrophobicContact CE-CD1 3.12Å; M408-I420 HydrophobicContact CE-CG1 3.37Å
409	E	90.5	Very high	89.6	Confident	143 Å²	143	80.3 Å²	80.3	67%	0.668	40%	0.4	S	S	*	.			trans	-78.1	143.3	177.9	-67.4	-174.6	172	0	0	110.7	L417	E409-L417 HydrophobicContact CB-CD1 3.77Å; E409-L417 HydrophobicContact CB-CG 4.42Å; E409-L417 PolarHBondContact O-N 3.27Å
410	T	90.6	Very high	89.8	Confident	46 Å²	46	75.9 Å²	75.9	28%	0.282	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-124.9	145.3	-176.5	56.5	0	0	0	0	110	L319 R415	L319-T410 HydrophobicContact CB-CG2 3.86Å; L319-T410 HydrophobicContact CD2-CG2 3.73Å; L319-T410 HydrophobicContact CG-CG2 3.88Å; L319-T410 WeakPolarHBondContact O-CG2 3.32Å; T410-R415 CarbonylContact C-O 3.56Å; T410-R415 WeakPolarHBondContact CA-O 3.3Å
411	D	89.6	Confident	90	Very high	86 Å²	86	73.5 Å²	73.5	46%	0.46	36%	0.361	S	S	.	.			trans	-72.5	177.5	171.3	-162.3	7.6	0	0	0	111.2	D413 D414 R415 L417	D411-D413 PolarHBondContact O-N 3.18Å; D411-D413 VanDerWaalsContact O-N 3.16Å; D411-D414 PolarHBondContact O-N 2.58Å; D411-D414 VanDerWaalsContact O-N 3.07Å; D411-R415 PolarHBondContact N-O 3.48Å; D411-L417 HydrophobicContact CB-CD2 4.37Å
412	K	88.7	Confident	90.3	Very high	193 Å²	193	73 Å²	73	84%	0.839	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.4	-179.7	-65	179.2	-177.3	175.3	0	114	D414	K412-D414 VanDerWaalsContact C-N 3.29Å; K412-D414 PolarHBondContact O-N 3.47Å
413	D	87.4	Confident	90.6	Very high	120 Å²	120	77.2 Å²	77.2	64%	0.642	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	20.8	178.9	-64.9	-33.1	0	0	0	112.9	D411 R415	D411-D413 PolarHBondContact O-N 3.18Å; D411-D413 VanDerWaalsContact O-N 3.16Å; D413-R415 HydrophobicContact CB-CG 4.19Å; D413-R415 PolarHBondContact O-N 2.91Å; D413-R415 VanDerWaalsContact O-N 3.12Å
414	D	90	Very high	90.8	Very high	52 Å²	52	79.3 Å²	79.3	28%	0.278	39%	0.386	S	S	.	.	S	Bend	trans	58.5	17.9	-174.4	-59.1	-38.5	0	0	0	113.6	R318 L319 I320 D411 K412	R318-D414 CarbonylContact C-O 3.51Å; R318-D414 WeakPolarHBondContact CA-O 3.48Å; R318-D414 HydrophobicContact CG-CB 3.9Å; R318-D414 IonicContact NE-OD2 3.53Å; R318-D414 IonicContact NH2-OD2 3.93Å; L319-D414 PolarHBondContact N-O 2.83Å; I320-D414 HydrophobicContact CG1-CB 4.12Å; D411-D414 PolarHBondContact O-N 2.58Å; D411-D414 VanDerWaalsContact O-N 3.07Å; K412-D414 VanDerWaalsContact C-N 3.29Å; K412-D414 PolarHBondContact O-N 3.47Å
415	R	90.3	Very high	91.1	Very high	113 Å²	113	73.5 Å²	73.5	43%	0.426	36%	0.362	S	S	.	.			trans	-84.6	131.3	177.8	-61.4	-165.7	167.9	-162.8	-5.7	110.1	H317 G332 T333 T410 D411 D413	H317-R415 WeakPolarHBondContact O-CG 3.47Å; G332-R415 PolarHBondContact O-NH2 3.42Å; T333-R415 PolarHBondContact O-NH2 3.15Å; T410-R415 CarbonylContact C-O 3.56Å; T410-R415 WeakPolarHBondContact CA-O 3.3Å; D411-R415 PolarHBondContact N-O 3.48Å; D413-R415 HydrophobicContact CB-CG 4.19Å; D413-R415 PolarHBondContact O-N 2.91Å; D413-R415 VanDerWaalsContact O-N 3.12Å
416	P	91.1	Very high	91.3	Very high	10 Å²	10	76.3 Å²	76.3	7%	0.065	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-64	140.6	176.1	27.9	-33	0	0	0	110.8	F316 L319 M408 E418 I420	F316-P416 WeakPolarHBondContact O-CG 3.46Å; L319-P416 HydrophobicContact CD2-CB 4.14Å; M408-P416 HydrophobicContact CE-CB 4.5Å; P416-E418 VanDerWaalsContact C-N 3.3Å; P416-E418 WeakPolarHBondContact CB-O 3.44Å; P416-I420 HydrophobicContact CB-CD1 4.34Å; P416-I420 HydrophobicContact CG-CD1 4.18Å; P416-I420 HydrophobicContact CG-CG1 4.28Å
417	L	90.2	Very high	91.4	Very high	112 Å²	112	77.4 Å²	77.4	59%	0.586	38%	0.383	S	S	*	.	S	Bend	trans	-67.4	-34.1	177.7	-70.2	177.8	0	0	0	112.2	E409 D411	E409-L417 HydrophobicContact CB-CD1 3.77Å; E409-L417 HydrophobicContact CB-CG 4.42Å; E409-L417 PolarHBondContact O-N 3.27Å; D411-L417 HydrophobicContact CB-CD2 4.37Å
418	E	90.4	Very high	91.6	Very high	123 Å²	123	76.8 Å²	76.8	58%	0.575	37%	0.373	S	S	*	.	S	Bend	trans	-98	124.1	170.9	-66.5	-176.2	179.7	0	0	109.4	H283 P416 I420	H283-E418 IonicContact CE1-OE2 2.81Å; P416-E418 VanDerWaalsContact C-N 3.3Å; P416-E418 WeakPolarHBondContact CB-O 3.44Å; E418-I420 PolarHBondContact O-N 3.38Å
419	D	89.8	Confident	91.7	Very high	112 Å²	112	78.2 Å²	78.2	60%	0.599	38%	0.383	S	S	*	.			trans	-68.4	121.2	-178.2	-79.7	-22	0	0	0	112	Q421	D419-Q421 HydrophobicContact CB-CG 4.5Å
420	I	92.1	Very high	91.8	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.005	36%	0.357	C	S	.	.			trans	-95.9	108.7	175.5	-42.8	167.8	0	0	0	107.8	S315 F316 F401 I405 M408 P416 E418	S315-I420 CarbonylContact C-O 3.46Å; S315-I420 VanDerWaalsContact CA-O 3.23Å; S315-I420 WeakPolarHBondContact CA-O 3.42Å; F316-I420 HydrophobicContact CB-CB 4.17Å; F316-I420 HydrophobicContact CB-CD1 4.26Å; F316-I420 HydrophobicContact CD2-CB 3.92Å; F316-I420 HydrophobicContact CD2-CG2 3.53Å; F316-I420 HydrophobicContact CE2-CG2 4.13Å; F316-I420 HydrophobicContact CG-CB 4.5Å; F316-I420 HydrophobicContact CG-CG2 4.41Å; F316-I420 PolarHBondContact N-O 2.8Å; F401-I420 HydrophobicContact CE2-CG2 4.4Å; F401-I420 HydrophobicContact CZ-CG2 4.23Å; I405-I420 HydrophobicContact CB-CD1 4.45Å; I405-I420 HydrophobicContact CD1-CD1 3.89Å; I405-I420 HydrophobicContact CD1-CG2 3.71Å; I405-I420 HydrophobicContact CG1-CD1 4.01Å; I405-I420 HydrophobicContact CG2-CD1 3.68Å; M408-I420 HydrophobicContact CE-CD1 3.12Å; M408-I420 HydrophobicContact CE-CG1 3.37Å; P416-I420 HydrophobicContact CB-CD1 4.34Å; P416-I420 HydrophobicContact CG-CD1 4.18Å; P416-I420 HydrophobicContact CG-CG1 4.28Å; E418-I420 PolarHBondContact O-N 3.38Å
421	Q	93.5	Very high	91.8	Very high	79 Å²	79	70.4 Å²	70.4	37%	0.369	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.9	-176.4	-66.1	178.8	-12.9	0	0	111.6	T281 S282 T314 D419	T281-Q421 CarbonylContact C-O 3.52Å; T281-Q421 WeakPolarHBondContact CA-O 3.44Å; T281-Q421 VanDerWaalsContact CB-O 3.3Å; T281-Q421 WeakPolarHBondContact CB-O 3.36Å; S282-Q421 PolarHBondContact N-O 3.17Å; S282-Q421 PolarHBondContact OG-N 2.95Å; T314-Q421 WeakPolarHBondContact O-CA 3.47Å; D419-Q421 HydrophobicContact CB-CG 4.5Å
422	I	95.3	Very high	91.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108.3	168.1	-57.2	175.9	0	0	0	107.2	L279 V280 T281 Y311 N312 D313 T314 F316 F375	L279-I422 HydrophobicContact CD1-CD1 4.44Å; V280-I422 CarbonylContact O-C 3.51Å; T281-I422 HydrophobicContact CG2-CG1 4.22Å; Y311-I422 WeakPolarHBondContact O-CB 3.27Å; N312-I422 CarbonylContact C-O 3.47Å; D313-I422 WeakPolarHBondContact CA-O 3.45Å; D313-I422 PolarHBondContact N-O 3.28Å; T314-I422 PolarHBondContact O-N 3.02Å; F316-I422 HydrophobicContact CD2-CG1 4.48Å; F316-I422 HydrophobicContact CE2-CD1 4.03Å; F316-I422 HydrophobicContact CE2-CG1 3.67Å; F316-I422 HydrophobicContact CZ-CD1 3.93Å; F316-I422 HydrophobicContact CZ-CG1 4.07Å; F375-I422 HydrophobicContact CZ-CD1 4.09Å
423	I	94.4	Very high	91.7	Very high	88 Å²	88	62.6 Å²	62.6	45%	0.451	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-45.2	-179.3	-58.8	169.7	0	0	0	110	V280	V280-I423 PolarHBondContact O-N 3.3Å
424	N	94.5	Very high	91.6	Very high	68 Å²	68	60.4 Å²	60.4	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	155.3	-177.1	-168.7	20.4	0	0	0	111.7	V280	V280-N424 HydrophobicContact CB-CB 4.36Å; V280-N424 PolarHBondContact N-O 2.79Å; V280-N424 PolarHBondContact O-N 2.75Å
425	C	94.9	Very high	91.5	Very high	10 Å²	10	58.5 Å²	58.5	7%	0.068	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.1	172.8	-61.2	0	0	0	0	110.5	L279 C306	L279-C425 HydrophobicContact CD2-CB 4.21Å; L279-C425 WeakPolarHBondContact CD2-SG 3.45Å; C306-C425 HydrophobicContact CB-CB 3.75Å
426	E	94.6	Very high	91.3	Very high	60 Å²	60	56.2 Å²	56.2	28%	0.28	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.9	175	-67.8	175	-163.8	0	0	109.7	V277 S278 V280 K285 Y428	V277-E426 CarbonylContact C-O 3.41Å; V277-E426 WeakPolarHBondContact CA-O 3.44Å; S278-E426 PolarHBondContact N-O 2.77Å; S278-E426 PolarHBondContact O-N 3.39Å; V280-E426 HydrophobicContact CG2-CG 4.37Å; K285-E426 IonicContact NZ-OE1 2.74Å; K285-E426 IonicContact NZ-OE2 3.74Å; E426-Y428 HydrophobicContact CB-CE1 4.47Å; E426-Y428 PolarHBondContact OE2-OH 2.92Å
427	V	94	Very high	91.1	Very high	43 Å²	43	60.9 Å²	60.9	26%	0.261	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.3	174.6	-177.8	0	0	0	0	109	V277 L303 C306 D430	V277-V427 HydrophobicContact CG2-CG1 4.47Å; V277-V427 HydrophobicContact CG2-CG2 4.32Å; L303-V427 HydrophobicContact CD2-CG1 3.68Å; L303-V427 HydrophobicContact CD2-CG2 4.22Å; C306-V427 HydrophobicContact CB-CG2 3.75Å; V427-D430 HydrophobicContact CG1-CB 3.94Å
428	Y	92.4	Very high	90.9	Very high	129 Å²	129	59.9 Å²	59.9	51%	0.506	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-41.5	-180	-66.3	-58.7	0	0	0	112.8	Y276 E426	Y276-Y428 PolarHBondContact O-N 3.32Å; E426-Y428 HydrophobicContact CB-CE1 4.47Å; E426-Y428 PolarHBondContact OE2-OH 2.92Å
429	V	92	Very high	90.7	Very high	54 Å²	54	54.4 Å²	54.4	33%	0.327	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	112.4	-178.8	-178.3	0	0	0	0	108.3	G275 Y276 P431	G275-V429 WeakPolarHBondContact CA-O 3.43Å; Y276-V429 HydrophobicContact CD2-CB 4.07Å; Y276-V429 HydrophobicContact CD2-CG2 3.99Å; Y276-V429 PolarHBondContact N-O 2.64Å; Y276-V429 VanDerWaalsContact N-O 3.14Å; Y276-V429 PolarHBondContact O-N 3.34Å; V429-P431 WeakPolarHBondContact O-CD 3.35Å
430	D	91.4	Very high	90.5	Very high	22 Å²	22	52.3 Å²	52.3	12%	0.118	27%	0.265	C	S	.	.			trans	-109.5	97.1	175.3	-171.5	-11.9	0	0	0	109.7	V427 F432 K433	V427-D430 HydrophobicContact CG1-CB 3.94Å; D430-F432 PolarHBondContact O-N 2.86Å; D430-F432 WeakPolarHBondContact OD1-CB 3.27Å; D430-F432 PolarHBondContact OD1-N 3.28Å; D430-F432 VanDerWaalsContact OD1-N 3.09Å; D430-K433 HydrophobicContact CB-CB 4.44Å; D430-K433 HydrophobicContact CB-CD 4.06Å; D430-K433 HydrophobicContact CB-CG 4.33Å; D430-K433 PolarHBondContact O-N 3.44Å; D430-K433 VanDerWaalsContact OD2-CD 3.27Å; D430-K433 WeakPolarHBondContact OD2-CD 3.14Å; D430-K433 WeakPolarHBondContact OD2-CE 3.39Å; D430-K433 WeakPolarHBondContact OD2-CG 3.3Å; D430-K433 IonicContact OD2-NZ 3.59Å; D430-K433 PolarHBondContact OD2-NZ 3.25Å
431	P	90.3	Very high	90.3	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-69.8	-14.8	-177.3	30.3	-35.6	0	0	0	113	V271 K273 C292 V429 V435	V271-P431 HydrophobicContact CG1-CB 4.24Å; V271-P431 HydrophobicContact CG1-CG 4.38Å; K273-P431 HydrophobicContact CB-CB 3.99Å; C292-P431 HydrophobicContact CB-CG 3.71Å; C292-P431 VanDerWaalsContact SG-CG 3.56Å; V429-P431 WeakPolarHBondContact O-CD 3.35Å; P431-V435 WeakPolarHBondContact O-CG2 3.48Å; P431-V435 PolarHBondContact O-N 3.12Å
432	F	89.7	Confident	90	Very high	9 Å²	9	57.2 Å²	57.2	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-78.4	-38.5	179.9	-62.5	-81.3	0	0	0	111.5	Y268 V271 C292 P296 C299 E300 L303 D430 V435 D436	Y268-F432 HydrophobicContact CD1-CD1 4.5Å; Y268-F432 AromaticContact CD1-CE1 3.9Å; Y268-F432 HydrophobicContact CD1-CE1 3.9Å; Y268-F432 HydrophobicContact CE1-CD1 4.36Å; Y268-F432 AromaticContact CE1-CE1 3.8Å; Y268-F432 HydrophobicContact CE1-CE1 3.8Å; V271-F432 HydrophobicContact CG1-CE1 4.37Å; V271-F432 HydrophobicContact CG1-CZ 4.48Å; V271-F432 HydrophobicContact CG2-CD1 3.81Å; V271-F432 HydrophobicContact CG2-CE1 3.82Å; C292-F432 HydrophobicContact CB-CE2 4.1Å; C292-F432 HydrophobicContact CB-CZ 4.1Å; P296-F432 HydrophobicContact CB-CE1 4.28Å; P296-F432 HydrophobicContact CB-CZ 4.38Å; P296-F432 VanDerWaalsContact O-CZ 3.27Å; P296-F432 WeakPolarHBondContact O-CZ 3.25Å; C299-F432 HydrophobicContact CB-CE2 4.12Å; C299-F432 HydrophobicContact CB-CZ 4.18Å; E300-F432 HydrophobicContact CB-CD1 4.34Å; E300-F432 HydrophobicContact CB-CD2 4.41Å; E300-F432 HydrophobicContact CB-CE1 3.97Å; E300-F432 HydrophobicContact CB-CE2 4.06Å; E300-F432 HydrophobicContact CB-CZ 3.83Å; L303-F432 HydrophobicContact CD1-CD2 3.58Å; L303-F432 HydrophobicContact CD1-CE2 3.62Å; D430-F432 PolarHBondContact O-N 2.86Å; D430-F432 WeakPolarHBondContact OD1-CB 3.27Å; D430-F432 PolarHBondContact OD1-N 3.28Å; D430-F432 VanDerWaalsContact OD1-N 3.09Å; F432-V435 PolarHBondContact O-N 3.27Å; F432-D436 VanDerWaalsContact O-CG 3.32Å; F432-D436 PolarHBondContact O-N 3.12Å
433	K	86.5	Confident	89.5	Confident	107 Å²	107	61 Å²	61	47%	0.465	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-45.2	174.6	-73.5	175.1	-174.3	162.2	0	112.3	D430 V435 D436 E437	D430-K433 HydrophobicContact CB-CB 4.44Å; D430-K433 HydrophobicContact CB-CD 4.06Å; D430-K433 HydrophobicContact CB-CG 4.33Å; D430-K433 PolarHBondContact O-N 3.44Å; D430-K433 VanDerWaalsContact OD2-CD 3.27Å; D430-K433 WeakPolarHBondContact OD2-CD 3.14Å; D430-K433 WeakPolarHBondContact OD2-CE 3.39Å; D430-K433 WeakPolarHBondContact OD2-CG 3.3Å; D430-K433 IonicContact OD2-NZ 3.59Å; D430-K433 PolarHBondContact OD2-NZ 3.25Å; K433-V435 PolarHBondContact O-N 3.09Å; K433-D436 PolarHBondContact O-N 3.34Å; K433-E437 WeakPolarHBondContact O-CG 3.2Å; K433-E437 PolarHBondContact O-N 2.85Å
434	D	86.2	Confident	89.1	Confident	73 Å²	73	58.8 Å²	58.8	39%	0.39	29%	0.294	S	S	.	.	H	α-helix	trans	-53.7	-43	174.8	-77.3	5.4	0	0	0	111.4	K273 M438	K273-D434 IonicContact NZ-OD2 3.89Å; K273-D434 PolarHBondContact NZ-OD2 3.24Å; D434-M438 WeakPolarHBondContact O-CB 3.41Å; D434-M438 PolarHBondContact O-N 2.72Å
435	V	86.8	Confident	88.8	Confident	13 Å²	13	59.7 Å²	59.7	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-73.3	-40	-179.1	169.2	0	0	0	0	111.7	V271 P431 F432 K433 E437 M438 L439	V271-V435 HydrophobicContact CG2-CB 4.43Å; V271-V435 HydrophobicContact CG2-CG2 3.92Å; P431-V435 WeakPolarHBondContact O-CG2 3.48Å; P431-V435 PolarHBondContact O-N 3.12Å; F432-V435 PolarHBondContact O-N 3.27Å; K433-V435 PolarHBondContact O-N 3.09Å; V435-E437 VanDerWaalsContact C-N 3.34Å; V435-M438 PolarHBondContact O-N 2.78Å; V435-L439 HydrophobicContact CG1-CD1 3.83Å; V435-L439 HydrophobicContact CG1-CG 4.3Å; V435-L439 WeakPolarHBondContact O-CB 3.4Å; V435-L439 WeakPolarHBondContact O-CG 3.49Å; V435-L439 PolarHBondContact O-N 2.74Å
436	D	86.1	Confident	88.2	Confident	65 Å²	65	63.9 Å²	63.9	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-40.5	176.9	-73.2	-20.1	0	0	0	111.5	R267 F432 K433 S440	R267-D436 WeakPolarHBondContact CD-OD1 3.39Å; R267-D436 IonicContact NE-OD1 3.11Å; R267-D436 IonicContact NH1-OD1 3.03Å; R267-D436 IonicContact NH1-OD2 2.68Å; R267-D436 PolarHBondContact NH1-OD2 2.86Å; F432-D436 VanDerWaalsContact O-CG 3.32Å; F432-D436 PolarHBondContact O-N 3.12Å; K433-D436 PolarHBondContact O-N 3.34Å; D436-S440 WeakPolarHBondContact O-CB 2.83Å; D436-S440 PolarHBondContact O-N 3.49Å; D436-S440 PolarHBondContact O-OG 2.9Å
437	E	88.4	Confident	87.4	Confident	108 Å²	108	63.7 Å²	63.7	51%	0.505	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-39.2	172.9	-73.3	-175	-163.2	0	0	112.6	K433 V435 S440 K441	K433-E437 WeakPolarHBondContact O-CG 3.2Å; K433-E437 PolarHBondContact O-N 2.85Å; V435-E437 VanDerWaalsContact C-N 3.34Å; E437-S440 WeakPolarHBondContact CA-OG 3.46Å; E437-S440 PolarHBondContact O-OG 2.82Å; E437-K441 WeakPolarHBondContact O-CB 3.2Å; E437-K441 VanDerWaalsContact O-CG 3.28Å; E437-K441 WeakPolarHBondContact O-CG 3.16Å; E437-K441 PolarHBondContact O-N 3.2Å; E437-K441 VanDerWaalsContact O-N 3.13Å
438	M	86.4	Confident	86.7	Confident	91 Å²	91	67.3 Å²	67.3	45%	0.448	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-48.8	176.7	-178.2	175.7	176	0	0	111.2	D434 V435 S440 K441 E442	D434-M438 WeakPolarHBondContact O-CB 3.41Å; D434-M438 PolarHBondContact O-N 2.72Å; V435-M438 PolarHBondContact O-N 2.78Å; M438-S440 VanDerWaalsContact C-N 3.34Å; M438-S440 PolarHBondContact O-N 3.26Å; M438-K441 PolarHBondContact O-N 2.77Å; M438-E442 WeakPolarHBondContact CE-OE1 3.3Å; M438-E442 WeakPolarHBondContact O-CG 3.47Å; M438-E442 PolarHBondContact O-N 3.12Å
439	L	85	Confident	86.1	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-37	-180	-75.9	172.4	0	0	0	112.3	F231 R267 Y270 V435 R443	F231-L439 HydrophobicContact CD1-CD2 4.43Å; R267-L439 HydrophobicContact CG-CD1 3.8Å; Y270-L439 HydrophobicContact CD2-CD1 4.43Å; Y270-L439 HydrophobicContact CD2-CD2 4.05Å; Y270-L439 HydrophobicContact CE2-CD2 3.79Å; V435-L439 HydrophobicContact CG1-CD1 3.83Å; V435-L439 HydrophobicContact CG1-CG 4.3Å; V435-L439 WeakPolarHBondContact O-CB 3.4Å; V435-L439 WeakPolarHBondContact O-CG 3.49Å; V435-L439 PolarHBondContact O-N 2.74Å; L439-R443 VanDerWaalsContact O-CB 3.31Å; L439-R443 WeakPolarHBondContact O-CB 3.16Å; L439-R443 WeakPolarHBondContact O-CG 3.5Å; L439-R443 PolarHBondContact O-N 2.96Å
440	S	85.8	Confident	85.3	Confident	68 Å²	68	67.8 Å²	67.8	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-42.4	176.1	52.2	0	0	0	0	112.2	D436 E437 M438 R443 A444	D436-S440 WeakPolarHBondContact O-CB 2.83Å; D436-S440 PolarHBondContact O-N 3.49Å; D436-S440 PolarHBondContact O-OG 2.9Å; E437-S440 WeakPolarHBondContact CA-OG 3.46Å; E437-S440 PolarHBondContact O-OG 2.82Å; M438-S440 VanDerWaalsContact C-N 3.34Å; M438-S440 PolarHBondContact O-N 3.26Å; S440-R443 PolarHBondContact O-N 3.26Å; S440-A444 WeakPolarHBondContact O-CB 3.12Å; S440-A444 PolarHBondContact O-N 2.91Å
441	K	88.6	Confident	84.4	Confident	128 Å²	128	71.8 Å²	71.8	56%	0.557	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-45.3	173.2	-72.6	169.4	-174.7	164.6	0	111.9	E437 M438 A444 N445	E437-K441 WeakPolarHBondContact O-CB 3.2Å; E437-K441 VanDerWaalsContact O-CG 3.28Å; E437-K441 WeakPolarHBondContact O-CG 3.16Å; E437-K441 PolarHBondContact O-N 3.2Å; E437-K441 VanDerWaalsContact O-N 3.13Å; M438-K441 PolarHBondContact O-N 2.77Å; K441-A444 PolarHBondContact O-N 2.65Å; K441-N445 VanDerWaalsContact O-CG 3.27Å; K441-N445 PolarHBondContact O-N 3.37Å; K441-N445 PolarHBondContact O-OD1 3.34Å
442	E	85.9	Confident	83.6	Confident	55 Å²	55	76.7 Å²	76.7	26%	0.257	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-45.2	177.1	-73.6	-172.5	171.7	0	0	111.5	F231 M438 A444 N445 Y446	F231-E442 HydrophobicContact CE1-CB 4.23Å; F231-E442 VanDerWaalsContact CE1-OE2 3.24Å; F231-E442 WeakPolarHBondContact CE1-OE2 3.48Å; F231-E442 HydrophobicContact CE2-CB 4.42Å; F231-E442 HydrophobicContact CZ-CB 3.69Å; M438-E442 WeakPolarHBondContact CE-OE1 3.3Å; M438-E442 WeakPolarHBondContact O-CG 3.47Å; M438-E442 PolarHBondContact O-N 3.12Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.19Å; E442-N445 PolarHBondContact O-N 3.44Å; E442-Y446 VanDerWaalsContact O-CD2 3.3Å; E442-Y446 WeakPolarHBondContact O-CD2 3.2Å; E442-Y446 PolarHBondContact O-N 3.05Å
443	R	86.2	Confident	82.5	Confident	81 Å²	81	81.2 Å²	81.2	31%	0.306	41%	0.41	S	S	.	.	H	α-helix	trans	-59.7	-39.4	175.1	-75.3	175.4	-178.2	-174.6	-1.9	112.2	F231 D263 L439 S440 S447	F231-R443 HydrophobicContact CD2-CG 3.81Å; F231-R443 HydrophobicContact CE2-CG 3.92Å; D263-R443 IonicContact OD1-CZ 3.23Å; D263-R443 IonicContact OD1-NH1 3.43Å; D263-R443 IonicContact OD1-NH2 2.9Å; D263-R443 PolarHBondContact OD1-NH2 3.14Å; L439-R443 VanDerWaalsContact O-CB 3.31Å; L439-R443 WeakPolarHBondContact O-CB 3.16Å; L439-R443 WeakPolarHBondContact O-CG 3.5Å; L439-R443 PolarHBondContact O-N 2.96Å; S440-R443 PolarHBondContact O-N 3.26Å; R443-S447 WeakPolarHBondContact O-CB 3.46Å; R443-S447 PolarHBondContact O-N 3.09Å; R443-S447 VanDerWaalsContact O-N 3.07Å
444	A	86	Confident	81.5	Confident	40 Å²	40	80.1 Å²	80.1	33%	0.331	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-51.1	175.9	0	0	0	0	0	111.6	S440 K441 E442 Y446 S447 E448	S440-A444 WeakPolarHBondContact O-CB 3.12Å; S440-A444 PolarHBondContact O-N 2.91Å; K441-A444 PolarHBondContact O-N 2.65Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.19Å; A444-Y446 PolarHBondContact O-N 2.92Å; A444-S447 WeakPolarHBondContact O-CB 3.23Å; A444-S447 PolarHBondContact O-N 3.22Å; A444-S447 PolarHBondContact O-OG 3.39Å; A444-E448 PolarHBondContact O-N 2.97Å
445	N	86.8	Confident	80.3	Confident	88 Å²	88	80.5 Å²	80.5	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-58.6	-45	179.1	-66.7	-1.3	0	0	0	111.9	K441 E442 S447 E448 E449	K441-N445 VanDerWaalsContact O-CG 3.27Å; K441-N445 PolarHBondContact O-N 3.37Å; K441-N445 PolarHBondContact O-OD1 3.34Å; E442-N445 PolarHBondContact O-N 3.44Å; N445-S447 VanDerWaalsContact C-N 3.3Å; N445-S447 PolarHBondContact O-N 3.04Å; N445-E448 PolarHBondContact O-N 2.89Å; N445-E449 WeakPolarHBondContact O-CG 3.44Å; N445-E449 PolarHBondContact O-N 3.24Å
446	Y	82.7	Confident	79.1	Confident	97 Å²	97	85.9 Å²	85.9	38%	0.38	45%	0.451	S	S	.	.	H	α-helix	trans	-62.6	-36.6	176	-90.5	-78.9	0	0	0	112.4	F231 E442 A444 E448 I450	F231-Y446 HydrophobicContact CE1-CE2 4.25Å; F231-Y446 AromaticContact CE2-CD2 3.67Å; F231-Y446 HydrophobicContact CE2-CD2 3.67Å; F231-Y446 HydrophobicContact CE2-CE2 4.11Å; F231-Y446 HydrophobicContact CE2-CG 4.34Å; F231-Y446 AromaticContact CZ-CD2 3.4Å; F231-Y446 HydrophobicContact CZ-CD2 3.4Å; F231-Y446 AromaticContact CZ-CE2 3.43Å; F231-Y446 HydrophobicContact CZ-CE2 3.43Å; F231-Y446 VanDerWaalsContact CZ-CE2 3.43Å; F231-Y446 HydrophobicContact CZ-CG 4.43Å; E442-Y446 VanDerWaalsContact O-CD2 3.3Å; E442-Y446 WeakPolarHBondContact O-CD2 3.2Å; E442-Y446 PolarHBondContact O-N 3.05Å; A444-Y446 PolarHBondContact O-N 2.92Å; Y446-E448 VanDerWaalsContact C-N 3.33Å; Y446-I450 WeakPolarHBondContact O-CB 3.43Å; Y446-I450 WeakPolarHBondContact O-CD1 3.35Å; Y446-I450 WeakPolarHBondContact O-CG1 3.27Å; Y446-I450 PolarHBondContact O-N 3.33Å
447	S	77.8	Confident	77.7	Confident	57 Å²	57	89.3 Å²	89.3	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-35.7	176.5	76.3	0	0	0	0	112.3	R443 A444 N445 N451	R443-S447 WeakPolarHBondContact O-CB 3.46Å; R443-S447 PolarHBondContact O-N 3.09Å; R443-S447 VanDerWaalsContact O-N 3.07Å; A444-S447 WeakPolarHBondContact O-CB 3.23Å; A444-S447 PolarHBondContact O-N 3.22Å; A444-S447 PolarHBondContact O-OG 3.39Å; N445-S447 VanDerWaalsContact C-N 3.3Å; N445-S447 PolarHBondContact O-N 3.04Å; S447-N451 WeakPolarHBondContact O-CB 3.32Å; S447-N451 PolarHBondContact O-N 2.84Å; S447-N451 VanDerWaalsContact O-N 3.08Å; S447-N451 PolarHBondContact O-ND2 3.13Å; S447-N451 VanDerWaalsContact O-ND2 3.15Å
448	E	80.7	Confident	76.1	Confident	119 Å²	119	88.3 Å²	88.3	56%	0.556	46%	0.46	S	S	*	.	H	α-helix	trans	-68.1	-45.8	174.8	-69.1	177.8	-177.1	0	0	111.5	A444 N445 Y446 I450 N451 I452	A444-E448 PolarHBondContact O-N 2.97Å; N445-E448 PolarHBondContact O-N 2.89Å; Y446-E448 VanDerWaalsContact C-N 3.33Å; E448-I450 PolarHBondContact O-N 3.01Å; E448-N451 PolarHBondContact O-N 3Å; E448-N451 VanDerWaalsContact O-N 3.15Å; E448-I452 WeakPolarHBondContact O-CG1 3.05Å; E448-I452 PolarHBondContact O-N 3.48Å
449	E	78.8	Confident	74.8	Confident	110 Å²	110	90 Å²	90	51%	0.514	48%	0.475	S	S	.	.	H	α-helix	trans	-58.3	-45.2	175.2	-73	179	-179.4	0	0	111.8	N445 N451 I452 D453	N445-E449 WeakPolarHBondContact O-CG 3.44Å; N445-E449 PolarHBondContact O-N 3.24Å; E449-N451 VanDerWaalsContact C-N 3.3Å; E449-N451 PolarHBondContact O-N 3.25Å; E449-I452 PolarHBondContact O-N 2.99Å; E449-D453 PolarHBondContact O-N 3.13Å
450	I	75	Confident	73.5	Confident	83 Å²	83	97.6 Å²	97.6	43%	0.426	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-36.6	177.2	-69.8	167.9	0	0	0	111.4	Y446 E448 N454	Y446-I450 WeakPolarHBondContact O-CB 3.43Å; Y446-I450 WeakPolarHBondContact O-CD1 3.35Å; Y446-I450 WeakPolarHBondContact O-CG1 3.27Å; Y446-I450 PolarHBondContact O-N 3.33Å; E448-I450 PolarHBondContact O-N 3.01Å; I450-N454 VanDerWaalsContact CG2-ND2 3.35Å; I450-N454 WeakPolarHBondContact CG2-ND2 3.42Å; I450-N454 VanDerWaalsContact O-CB 3.3Å; I450-N454 WeakPolarHBondContact O-CB 3.5Å; I450-N454 PolarHBondContact O-N 2.73Å; I450-N454 PolarHBondContact O-ND2 2.74Å
451	N	73	Confident	72.1	Confident	106 Å²	106	95.7 Å²	95.7	57%	0.567	49%	0.491	S	S	*	.	H	α-helix	trans	-68.3	-37.9	177.5	-73.8	-25.1	0	0	0	111.8	S447 E448 E449 A455	S447-N451 WeakPolarHBondContact O-CB 3.32Å; S447-N451 PolarHBondContact O-N 2.84Å; S447-N451 VanDerWaalsContact O-N 3.08Å; S447-N451 PolarHBondContact O-ND2 3.13Å; S447-N451 VanDerWaalsContact O-ND2 3.15Å; E448-N451 PolarHBondContact O-N 3Å; E448-N451 VanDerWaalsContact O-N 3.15Å; E449-N451 VanDerWaalsContact C-N 3.3Å; E449-N451 PolarHBondContact O-N 3.25Å; N451-A455 WeakPolarHBondContact O-CB 3.48Å; N451-A455 PolarHBondContact O-N 3.13Å
452	I	73.7	Confident	70.6	Confident	105 Å²	105	97.5 Å²	97.5	54%	0.538	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-49.3	174.5	-64.6	163.9	0	0	0	110.1	E448 E449 N454 A455 D456	E448-I452 WeakPolarHBondContact O-CG1 3.05Å; E448-I452 PolarHBondContact O-N 3.48Å; E449-I452 PolarHBondContact O-N 2.99Å; I452-N454 VanDerWaalsContact C-N 3.29Å; I452-N454 PolarHBondContact O-N 2.92Å; I452-A455 WeakPolarHBondContact O-CB 3.32Å; I452-A455 PolarHBondContact O-N 2.86Å; I452-D456 PolarHBondContact O-N 2.81Å
453	D	66.8	Low	69.1	Low	104 Å²	104	100.9 Å²	100.9	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-61.6	-35.4	178.8	-80.4	-6.5	0	0	0	112.8	E449 K457	E449-D453 PolarHBondContact O-N 3.13Å; D453-K457 WeakPolarHBondContact O-CG 3.3Å; D453-K457 PolarHBondContact O-N 2.8Å
454	N	65.4	Low	68	Low	84 Å²	84	100.2 Å²	100.2	45%	0.449	54%	0.544	S	S	.	.	H	α-helix	trans	-75.8	-27.3	176.2	-72.7	-32.4	0	0	0	112.7	I450 I452 D456 K457	I450-N454 VanDerWaalsContact CG2-ND2 3.35Å; I450-N454 WeakPolarHBondContact CG2-ND2 3.42Å; I450-N454 VanDerWaalsContact O-CB 3.3Å; I450-N454 WeakPolarHBondContact O-CB 3.5Å; I450-N454 PolarHBondContact O-N 2.73Å; I450-N454 PolarHBondContact O-ND2 2.74Å; I452-N454 VanDerWaalsContact C-N 3.29Å; I452-N454 PolarHBondContact O-N 2.92Å; N454-D456 VanDerWaalsContact C-N 3.35Å; N454-K457 PolarHBondContact OD1-NZ 3.22Å
455	A	61.3	Low	67.2	Low	82 Å²	82	102 Å²	102	68%	0.678	55%	0.548	S	S	*	.	H	α-helix	trans	-71.1	-31.8	172.1	0	0	0	0	0	112	N451 I452	N451-A455 WeakPolarHBondContact O-CB 3.48Å; N451-A455 PolarHBondContact O-N 3.13Å; I452-A455 WeakPolarHBondContact O-CB 3.32Å; I452-A455 PolarHBondContact O-N 2.86Å
456	D	60.2	Low	66.5	Low	126 Å²	126	107.2 Å²	107.2	67%	0.674	56%	0.561	S	S	*	*	H	α-helix	trans	-85.7	-12.6	179.4	-77.9	-16.7	0	0	0	114.2	I452 N454 I458	I452-D456 PolarHBondContact O-N 2.81Å; N454-D456 VanDerWaalsContact C-N 3.35Å; D456-I458 PolarHBondContact O-N 3.47Å
457	K	57	Low	66.1	Low	136 Å²	136	113.3 Å²	113.3	59%	0.591	58%	0.583	S	S	*	*			trans	-68.8	102.2	174.1	-85.5	174.1	-168.6	157.3	0	111.2	D453 N454 V459	D453-K457 WeakPolarHBondContact O-CG 3.3Å; D453-K457 PolarHBondContact O-N 2.8Å; N454-K457 PolarHBondContact OD1-NZ 3.22Å; K457-V459 PolarHBondContact O-N 3.45Å; K457-V459 VanDerWaalsContact O-N 3.15Å
458	I	55.5	Low	65.7	Low	87 Å²	87	115.2 Å²	115.2	45%	0.446	59%	0.586	S	S	.	*			trans	-61.5	113.6	165.7	-59.2	171.6	0	0	0	108.2	D456 Y460 L472	D456-I458 PolarHBondContact O-N 3.47Å; I458-Y460 HydrophobicContact CG2-CE1 4.32Å; I458-Y460 HydrophobicContact CG2-CE2 4.47Å; I458-Y460 PolarHBondContact O-N 2.89Å; I458-Y460 VanDerWaalsContact O-N 3.16Å; I458-L472 HydrophobicContact CG2-CD1 4.1Å
459	V	59.1	Low	65.2	Low	126 Å²	126	113.4 Å²	113.4	76%	0.764	58%	0.577	S	S	*	*			trans	-73.5	103.1	172	179.7	0	0	0	0	107.8	K457 L472	K457-V459 PolarHBondContact O-N 3.45Å; K457-V459 VanDerWaalsContact O-N 3.15Å; V459-L472 WeakPolarHBondContact O-CD1 3.32Å
460	Y	56.8	Low	65.2	Low	167 Å²	167	113.9 Å²	113.9	66%	0.655	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-71.7	129.9	169	-66	-79.1	0	0	0	109.2	I458 L472	I458-Y460 HydrophobicContact CG2-CE1 4.32Å; I458-Y460 HydrophobicContact CG2-CE2 4.47Å; I458-Y460 PolarHBondContact O-N 2.89Å; I458-Y460 VanDerWaalsContact O-N 3.16Å; Y460-L472 HydrophobicContact CD1-CD1 4.35Å
461	P	55.9	Low	65.3	Low	29 Å²	29	112.8 Å²	112.8	19%	0.188	58%	0.583	C	S	.	*	P	Polyproline II helix	trans	-64	154.3	176.7	26.4	-33.2	0	0	0	111	E468 E469 L472	P461-E468 HydrophobicContact CB-CB 3.48Å; P461-E468 VanDerWaalsContact CB-CB 3.48Å; P461-E468 HydrophobicContact CG-CB 4.18Å; P461-E469 HydrophobicContact CG-CB 4.45Å; P461-E469 HydrophobicContact CG-CG 3.74Å; P461-L472 HydrophobicContact CG-CD1 4.49Å
462	K	57	Low	65.5	Low	166 Å²	166	109.6 Å²	109.6	72%	0.722	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-63.9	136.2	175.6	-69.6	179.1	-178.5	173.9	0	108.9	G464 N465	K462-G464 PolarHBondContact O-N 2.84Å; K462-G464 VanDerWaalsContact O-N 3.17Å; K462-N465 PolarHBondContact O-N 3.35Å
463	P	55.7	Low	65.7	Low	125 Å²	125	111.1 Å²	111.1	81%	0.812	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	122.9	179.5	21	-30.2	0	0	0	110.1
464	G	63.8	Low	66.3	Low	68 Å²	68	109 Å²	109	70%	0.701	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.5	-10.4	179.6	0	0	0	0	0	115.9	K462 R466	K462-G464 PolarHBondContact O-N 2.84Å; K462-G464 VanDerWaalsContact O-N 3.17Å; G464-R466 PolarHBondContact O-N 3.04Å
465	N	69.1	Low	67	Low	78 Å²	78	107.5 Å²	107.5	42%	0.417	57%	0.567	S	S	.	*			trans	-95	82.6	174.6	-84.2	-11.2	0	0	0	111.5	K462 R467 E468 E469	K462-N465 PolarHBondContact O-N 3.35Å; N465-R467 PolarHBondContact O-N 3.13Å; N465-R467 VanDerWaalsContact O-N 3.09Å; N465-E468 HydrophobicContact CB-CB 4.21Å; N465-E468 HydrophobicContact CB-CG 4.15Å; N465-E468 WeakPolarHBondContact CB-OE2 3.45Å; N465-E468 PolarHBondContact ND2-OE2 3.21Å; N465-E468 PolarHBondContact O-N 3.14Å; N465-E469 PolarHBondContact O-N 3.09Å
466	R	71.8	Confident	67.8	Low	197 Å²	197	107 Å²	107	74%	0.743	55%	0.55	S	S	*	*	H	α-helix	trans	-48.3	-40.9	-179.2	-87.7	-175.6	173.9	163.1	-2.1	114.6	G464 E468 E469 E470	G464-R466 PolarHBondContact O-N 3.04Å; R466-E468 VanDerWaalsContact C-N 3.33Å; R466-E468 PolarHBondContact O-N 3.49Å; R466-E469 PolarHBondContact O-N 2.97Å; R466-E470 WeakPolarHBondContact O-CB 3Å; R466-E470 VanDerWaalsContact O-CG 3.27Å; R466-E470 WeakPolarHBondContact O-CG 3.18Å; R466-E470 PolarHBondContact O-N 3.47Å
467	R	73.4	Confident	68.7	Low	224 Å²	224	109.8 Å²	109.8	85%	0.845	55%	0.551	S	S	*	*	H	α-helix	trans	-62.9	-36.5	179.8	-81.8	-176.5	176.1	168.6	-1	113.5	N465 A471	N465-R467 PolarHBondContact O-N 3.13Å; N465-R467 VanDerWaalsContact O-N 3.09Å; R467-A471 WeakPolarHBondContact O-CB 3.36Å; R467-A471 PolarHBondContact O-N 3.28Å
468	E	68.8	Low	69.6	Low	97 Å²	97	105.9 Å²	105.9	45%	0.453	54%	0.544	S	S	.	.	H	α-helix	trans	-80.7	-35	-177.8	-61.6	178.9	155.8	0	0	111	P461 N465 R466 A471 L472	P461-E468 HydrophobicContact CB-CB 3.48Å; P461-E468 VanDerWaalsContact CB-CB 3.48Å; P461-E468 HydrophobicContact CG-CB 4.18Å; N465-E468 HydrophobicContact CB-CB 4.21Å; N465-E468 HydrophobicContact CB-CG 4.15Å; N465-E468 WeakPolarHBondContact CB-OE2 3.45Å; N465-E468 PolarHBondContact ND2-OE2 3.21Å; N465-E468 PolarHBondContact O-N 3.14Å; R466-E468 VanDerWaalsContact C-N 3.33Å; R466-E468 PolarHBondContact O-N 3.49Å; E468-A471 PolarHBondContact O-N 3.07Å; E468-L472 PolarHBondContact O-N 3.16Å
469	E	70.8	Confident	70.5	Confident	81 Å²	81	108.2 Å²	108.2	38%	0.379	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-47.8	172.1	-70.7	171.9	-178.1	0	0	111.3	P461 N465 R466 A471 L472 E473	P461-E469 HydrophobicContact CG-CB 4.45Å; P461-E469 HydrophobicContact CG-CG 3.74Å; N465-E469 PolarHBondContact O-N 3.09Å; R466-E469 PolarHBondContact O-N 2.97Å; E469-A471 VanDerWaalsContact C-N 3.31Å; E469-A471 PolarHBondContact O-N 2.78Å; E469-L472 PolarHBondContact O-N 2.97Å; E469-E473 PolarHBondContact O-N 3.3Å
470	E	79.4	Confident	71.1	Confident	120 Å²	120	109.3 Å²	109.3	56%	0.561	54%	0.542	S	S	*	.	H	α-helix	trans	-60.7	-38.5	175.8	-75.1	171.1	-176.5	0	0	112.2	R466 A474	R466-E470 WeakPolarHBondContact O-CB 3Å; R466-E470 VanDerWaalsContact O-CG 3.27Å; R466-E470 WeakPolarHBondContact O-CG 3.18Å; R466-E470 PolarHBondContact O-N 3.47Å; E470-A474 WeakPolarHBondContact O-CB 3.48Å; E470-A474 PolarHBondContact O-N 2.96Å
471	A	77.6	Confident	71.6	Confident	60 Å²	60	106.8 Å²	106.8	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-67.5	-39.3	177	0	0	0	0	0	112.5	R467 E468 E469 A475	R467-A471 WeakPolarHBondContact O-CB 3.36Å; R467-A471 PolarHBondContact O-N 3.28Å; E468-A471 PolarHBondContact O-N 3.07Å; E469-A471 VanDerWaalsContact C-N 3.31Å; E469-A471 PolarHBondContact O-N 2.78Å; A471-A475 WeakPolarHBondContact O-CB 3.45Å; A471-A475 PolarHBondContact O-N 2.89Å
472	L	75.6	Confident	71.9	Confident	39 Å²	39	113.3 Å²	113.3	20%	0.204	57%	0.565	C	S	.	*	H	α-helix	trans	-67.1	-42.5	176.5	-169.1	148.4	0	0	0	111.1	I458 V459 Y460 P461 E468 E469 A475 E476	I458-L472 HydrophobicContact CG2-CD1 4.1Å; V459-L472 WeakPolarHBondContact O-CD1 3.32Å; Y460-L472 HydrophobicContact CD1-CD1 4.35Å; P461-L472 HydrophobicContact CG-CD1 4.49Å; E468-L472 PolarHBondContact O-N 3.16Å; E469-L472 PolarHBondContact O-N 2.97Å; L472-A475 PolarHBondContact O-N 3.2Å; L472-E476 HydrophobicContact CD2-CG 4.29Å; L472-E476 PolarHBondContact O-N 3.45Å
473	E	78.1	Confident	71.8	Confident	137 Å²	137	112 Å²	112	64%	0.64	56%	0.561	S	S	*	*	H	α-helix	trans	-65.4	-39.3	177	-164.3	172.9	-169	0	0	111.9	E469 E476 R477	E469-E473 PolarHBondContact O-N 3.3Å; E473-E476 PolarHBondContact O-N 3.22Å; E473-R477 WeakPolarHBondContact O-CB 3.46Å; E473-R477 PolarHBondContact O-N 3.47Å
474	A	80.2	Confident	71.8	Confident	61 Å²	61	111.2 Å²	111.2	50%	0.504	55%	0.551	S	S	.	*	H	α-helix	trans	-62.9	-39.9	172.2	0	0	0	0	0	112.5	E470 R477 A478	E470-A474 WeakPolarHBondContact O-CB 3.48Å; E470-A474 PolarHBondContact O-N 2.96Å; A474-R477 PolarHBondContact O-N 2.76Å; A474-A478 PolarHBondContact O-N 3.21Å
475	A	79.6	Confident	71.4	Confident	52 Å²	52	111.2 Å²	111.2	43%	0.43	55%	0.55	S	S	.	*	H	α-helix	trans	-67.2	-41.3	176.3	0	0	0	0	0	112.3	A471 L472 R477 A478 K479	A471-A475 WeakPolarHBondContact O-CB 3.45Å; A471-A475 PolarHBondContact O-N 2.89Å; L472-A475 PolarHBondContact O-N 3.2Å; A475-R477 VanDerWaalsContact C-N 3.34Å; A475-A478 PolarHBondContact O-N 2.95Å; A475-K479 PolarHBondContact O-N 3.44Å
476	E	77.9	Confident	70.3	Confident	70 Å²	70	113.5 Å²	113.5	33%	0.327	56%	0.561	S	S	.	*	H	α-helix	trans	-61.1	-43.3	172.3	-81	-162.8	-173.5	0	0	111.8	L472 E473 A478 K479 R480	L472-E476 HydrophobicContact CD2-CG 4.29Å; L472-E476 PolarHBondContact O-N 3.45Å; E473-E476 PolarHBondContact O-N 3.22Å; E476-A478 VanDerWaalsContact C-N 3.32Å; E476-A478 PolarHBondContact O-N 3.26Å; E476-K479 PolarHBondContact O-N 3.34Å; E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 3.1Å; E476-R480 IonicContact OE2-NH2 3.05Å; E476-R480 PolarHBondContact OE2-NH2 3.22Å
477	R	79.3	Confident	68.9	Low	185 Å²	185	108.6 Å²	108.6	70%	0.698	56%	0.563	S	S	*	*	H	α-helix	trans	-63.3	-39.2	178	-155.4	172.9	-170.6	169.9	2.5	111.7	E473 A474 A475 R480 N481	E473-R477 WeakPolarHBondContact O-CB 3.46Å; E473-R477 PolarHBondContact O-N 3.47Å; A474-R477 PolarHBondContact O-N 2.76Å; A475-R477 VanDerWaalsContact C-N 3.34Å; R477-R480 PolarHBondContact O-N 2.71Å; R477-N481 WeakPolarHBondContact O-CB 3.48Å; R477-N481 VanDerWaalsContact O-CG 3.3Å; R477-N481 PolarHBondContact O-N 3.03Å
478	A	77.1	Confident	67.6	Low	54 Å²	54	105.7 Å²	105.7	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-65.9	-36.5	173.6	0	0	0	0	0	113	A474 A475 E476 K482	A474-A478 PolarHBondContact O-N 3.21Å; A475-A478 PolarHBondContact O-N 2.95Å; E476-A478 VanDerWaalsContact C-N 3.32Å; E476-A478 PolarHBondContact O-N 3.26Å; A478-K482 PolarHBondContact O-N 3.19Å; A478-K482 VanDerWaalsContact O-N 3.16Å
479	K	73.4	Confident	66.5	Low	136 Å²	136	108.5 Å²	108.5	59%	0.591	57%	0.569	S	S	*	*	H	α-helix	trans	-67.1	-43.3	174.2	-76.3	-176.3	178.5	-177	0	112	A475 E476 K482 Q483	A475-K479 PolarHBondContact O-N 3.44Å; E476-K479 PolarHBondContact O-N 3.34Å; K479-K482 PolarHBondContact O-N 3.17Å; K479-Q483 PolarHBondContact O-N 2.97Å
480	R	72.5	Confident	65.2	Low	149 Å²	149	110 Å²	110	56%	0.562	58%	0.583	S	S	*	*	H	α-helix	trans	-61.5	-45.6	175.9	-69	-179.5	-161.7	-175.6	9.6	111.3	E476 R477 K482 Q483 D484	E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 3.1Å; E476-R480 IonicContact OE2-NH2 3.05Å; E476-R480 PolarHBondContact OE2-NH2 3.22Å; R477-R480 PolarHBondContact O-N 2.71Å; R480-K482 VanDerWaalsContact C-N 3.26Å; R480-K482 PolarHBondContact O-N 3.29Å; R480-Q483 PolarHBondContact O-N 3.27Å; R480-D484 PolarHBondContact O-N 3.09Å
481	N	67.1	Low	63.4	Low	114 Å²	114	114.1 Å²	114.1	61%	0.61	60%	0.595	S	S	*	*	H	α-helix	trans	-62.6	-29.6	176.6	-72.5	-6	0	0	0	113.5	R477	R477-N481 WeakPolarHBondContact O-CB 3.48Å; R477-N481 VanDerWaalsContact O-CG 3.3Å; R477-N481 PolarHBondContact O-N 3.03Å
482	K	61	Low	61.8	Low	167 Å²	167	122 Å²	122	73%	0.726	61%	0.613	S	S	*	*	H	α-helix	trans	-75.8	-33.7	172.8	-78.8	-178.7	177.4	-178.8	0	112.9	A478 K479 R480	A478-K482 PolarHBondContact O-N 3.19Å; A478-K482 VanDerWaalsContact O-N 3.16Å; K479-K482 PolarHBondContact O-N 3.17Å; R480-K482 VanDerWaalsContact C-N 3.26Å; R480-K482 PolarHBondContact O-N 3.29Å
483	Q	56.5	Low	60.5	Low	138 Å²	138	127 Å²	127	65%	0.645	65%	0.645	S	S	*	*	H	α-helix	trans	-75.4	-32.2	176.6	-79.8	177.3	-19.6	0	0	112.7	K479 R480 G485 I486	K479-Q483 PolarHBondContact O-N 2.97Å; R480-Q483 PolarHBondContact O-N 3.27Å; Q483-G485 PolarHBondContact O-N 2.99Å; Q483-I486 PolarHBondContact O-N 2.9Å
484	D	54.8	Low	58.6	Low	109 Å²	109	123.8 Å²	123.8	58%	0.583	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-11.2	176.2	-73.5	-34.8	0	0	0	113.4	R480 K488	R480-D484 PolarHBondContact O-N 3.09Å; D484-K488 IonicContact OD1-NZ 3.84Å
485	G	54.6	Low	56.6	Low	67 Å²	67	128.3 Å²	128.3	69%	0.691	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	170.8	0	0	0	0	0	115	Q483	Q483-G485 PolarHBondContact O-N 2.99Å
486	I	46.3	Very low	54.8	Low	127 Å²	127	129.1 Å²	129.1	65%	0.651	68%	0.683	S	S	*	*	S	Bend	trans	-104.7	105.8	176	-60.9	171.4	0	0	0	106.9	Q483 K488	Q483-I486 PolarHBondContact O-N 2.9Å; I486-K488 PolarHBondContact O-N 3.5Å
487	A	42.8	Very low	52.9	Low	94 Å²	94	134.4 Å²	134.4	78%	0.777	71%	0.705	S	S	*	*			trans	-45.8	112.5	-179.7	0	0	0	0	0	111.1	Q489	A487-Q489 PolarHBondContact O-N 3.42Å
488	K	46.4	Very low	51.1	Low	163 Å²	163	134.1 Å²	134.1	71%	0.709	71%	0.709	S	S	*	*			trans	-55.8	104.2	175.3	-72.9	172.1	-179	162.5	0	108.9	D484 I486 V490	D484-K488 IonicContact OD1-NZ 3.84Å; I486-K488 PolarHBondContact O-N 3.5Å; K488-V490 PolarHBondContact O-N 3.16Å
489	Q	44.7	Very low	49.6	Very low	156 Å²	156	139.7 Å²	139.7	73%	0.729	73%	0.729	S	S	*	*			trans	-65.8	103.8	163.6	-81.9	-167.4	-5.8	0	0	108	A487 Y491	A487-Q489 PolarHBondContact O-N 3.42Å; Q489-Y491 HydrophobicContact CB-CD2 4.5Å; Q489-Y491 HydrophobicContact CB-CE2 4.33Å; Q489-Y491 PolarHBondContact O-N 3.2Å
490	V	44.5	Very low	47.7	Very low	111 Å²	111	141 Å²	141	67%	0.673	74%	0.737	S	S	*	*			trans	-77.7	99.4	176.1	-177.6	0	0	0	0	108.4	K488 R492	K488-V490 PolarHBondContact O-N 3.16Å; V490-R492 HydrophobicContact CG1-CG 3.89Å; V490-R492 PolarHBondContact O-N 3.27Å
491	Y	40.8	Very low	46.3	Very low	207 Å²	207	141.3 Å²	141.3	81%	0.812	75%	0.75	S	S	*	*			trans	-76.9	95	164.2	-80.9	-92.4	0	0	0	108.8	Q489	Q489-Y491 HydrophobicContact CB-CD2 4.5Å; Q489-Y491 HydrophobicContact CB-CE2 4.33Å; Q489-Y491 PolarHBondContact O-N 3.2Å
492	R	45.5	Very low	44.7	Very low	227 Å²	227	140.6 Å²	140.6	86%	0.857	75%	0.75	S	S	*	*			trans	-86.2	114.2	167.4	-87.7	-177.6	-178.4	-175.9	0.6	109.6	V490 G494	V490-R492 HydrophobicContact CG1-CG 3.89Å; V490-R492 PolarHBondContact O-N 3.27Å; R492-G494 PolarHBondContact O-N 3.09Å
493	T	47.3	Very low	43.8	Very low	143 Å²	143	139.7 Å²	139.7	88%	0.877	75%	0.753	S	S	*	*			trans	-69.7	110	160.7	49.4	0	0	0	0	108.5
494	G	39.4	Very low	42.9	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	76%	0.756	S	S	*	*			trans	-77.2	130	-173.1	0	0	0	0	0	114.2	R492	R492-G494 PolarHBondContact O-N 3.09Å
495	V	38	Very low	42	Very low	156 Å²	156	141.4 Å²	141.4	95%	0.945	76%	0.761	S	S	*	*			trans	-148.6	118.7	141.8	-173.2	0	0	0	0	107.5
496	G	40.6	Very low	41.3	Very low	69 Å²	69	144.3 Å²	144.3	71%	0.711	76%	0.76	S	S	*	*			trans	119.5	89	168.9	0	0	0	0	0	113.5
497	K	38.1	Very low	40.8	Very low	181 Å²	181	143.4 Å²	143.4	79%	0.787	76%	0.761	S	S	*	*				73.2	105.7	79.4	-81.3	-175.5	171.9	-177.3	0	113.7
498	F	41.2	Very low	40.6	Very low	178 Å²	178	148.2 Å²	148.2	78%	0.781	77%	0.765	S	S	*	*			trans	69.9	107.6	158.9	-47	-71.3	0	0	0	117.2
499	I	46	Very low	40.1	Very low	171 Å²	171	144.8 Å²	144.8	88%	0.877	77%	0.767	S	S	*	*				177.5	122.4	121.4	-82.7	149.7	0	0	0	107.1
500	H	33.7	Very low	39.9	Very low	164 Å²	164	144.4 Å²	144.4	76%	0.759	77%	0.768	S	S	*	*			trans	-83.7	153	174.5	-84.2	-82.6	0	0	0	110.4
501	D	42.3	Very low	39.6	Very low	155 Å²	155	144.1 Å²	144.1	83%	0.829	77%	0.767	S	S	*	*			trans	170.1	93.7	143.2	-81.7	-16.1	0	0	0	105.7
502	V	35.1	Very low	39.3	Very low	100 Å²	100	140.8 Å²	140.8	61%	0.606	76%	0.763	S	S	*	*				60	97.4	76.2	-167.6	0	0	0	0	113
503	D	41	Very low	39	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	76%	0.756	S	S	*	*			trans	-176.6	104.6	132	-88.6	-18.7	0	0	0	107.6
504	Q	38.2	Very low	38.3	Very low	154 Å²	154	139.5 Å²	139.5	72%	0.72	75%	0.754	S	S	*	*				57.9	120.8	83.8	-75.3	-162.8	25.4	0	0	111.7
505	L	36.4	Very low	38.1	Very low	130 Å²	130	140 Å²	140	68%	0.681	76%	0.759	S	S	*	*			cis	-170.2	162.5	33.4	-101.7	149.7	0	0	0	111.8
506	D	38.6	Very low	37.9	Very low	127 Å²	127	141.8 Å²	141.8	68%	0.679	75%	0.754	S	S	*	*			trans	83.4	136.6	147.8	-70.3	-29.5	0	0	0	123
507	T	36	Very low	37.7	Very low	109 Å²	109	144.6 Å²	144.6	67%	0.669	75%	0.752	S	S	*	*			cis	-177.6	159.4	-38.8	24.7	0	0	0	0	106.4
508	K	39.3	Very low	37.7	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	75%	0.75	S	S	*	*			trans	99.1	93.5	165.3	-55.9	176.9	-177.5	173.9	0	115.3
509	A	36.2	Very low	37.3	Very low	91 Å²	91	140.2 Å²	140.2	75%	0.752	74%	0.744	S	S	*	*				67.6	129	75.1	0	0	0	0	0	112
510	I	39.1	Very low	36.7	Very low	147 Å²	147	137.2 Å²	137.2	75%	0.754	74%	0.739	S	S	*	*				-170.8	121.3	69.4	-81.9	173.5	0	0	0	110.8
511	T	38.7	Very low	37	Very low	106 Å²	106	134 Å²	134	65%	0.65	73%	0.734	S	S	*	*			trans	52.1	126.9	133.9	77.1	0	0	0	0	126.1
512	N	35	Very low	36.9	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	72%	0.724	S	S	*	*				63.2	143.8	122.7	-69.3	-18.6	0	0	0	119.9
513	K	38.2	Very low	37	Very low	164 Å²	164	135.8 Å²	135.8	71%	0.713	73%	0.734	S	S	*	*			cis	-173.2	148.1	20	-119.8	168.6	-175.4	-177.6	0	109.4
514	H	34.1	Very low	36.7	Very low	180 Å²	180	136.6 Å²	136.6	83%	0.833	74%	0.735	S	S	*	*			trans	75.7	124.8	140.9	-80.9	23	0	0	0	122.8
515	G	34.9	Very low	37.1	Very low	80 Å²	80	134.8 Å²	134.8	83%	0.825	73%	0.731	S	S	*	*			trans	163	85.6	153.8	0	0	0	0	0	113.1
516	K	33.5	Very low	37.3	Very low	193 Å²	193	135.2 Å²	135.2	84%	0.839	73%	0.729	S	S	*	*			trans	-70.6	149.4	160.4	-59.3	174.1	169.5	176.6	0	107.9
517	D	36.8	Very low	37.4	Very low	128 Å²	128	135 Å²	135	68%	0.684	73%	0.728	S	S	*	*				-174.2	129.6	73.2	-86.9	-43.6	0	0	0	109.4
518	I	38.3	Very low	37.9	Very low	143 Å²	143	134.7 Å²	134.7	73%	0.733	73%	0.726	S	S	*	*				88	97.6	108.5	-58.7	167	0	0	0	113.9
519	D	31.9	Very low	38.2	Very low	125 Å²	125	132 Å²	132	67%	0.668	72%	0.72	S	S	*	*			trans	-97.4	120.2	173.5	-155.3	-2.1	0	0	0	108.5
520	S	34.2	Very low	38.4	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	72%	0.722	S	S	*	*			trans	-144	19.8	-178.4	60.1	0	0	0	0	114.3
521	S	38.9	Very low	38.7	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	73%	0.725	S	S	*	*	S	Bend	trans	-120.6	-2.6	-177.1	52.1	0	0	0	0	114.9
522	L	40.1	Very low	38.8	Very low	118 Å²	118	143.6 Å²	143.6	62%	0.618	73%	0.733	S	S	*	*	S	Bend	trans	-98.4	-5.8	-173.9	-84.4	154.5	0	0	0	115.5
523	Q	37	Very low	39	Very low	174 Å²	174	145.8 Å²	145.8	81%	0.813	74%	0.739	S	S	*	*	S	Bend	trans	-96	1.4	-173.9	-79.4	-179.3	-18.2	0	0	116.2
524	M	36.4	Very low	38.9	Very low	164 Å²	164	147.7 Å²	147.7	81%	0.808	75%	0.747	S	S	*	*	S	Bend	trans	-100.6	-6.4	178.8	-65.1	-156.4	115.6	0	0	115
525	N	44.6	Very low	39.1	Very low	117 Å²	117	145.4 Å²	145.4	63%	0.626	75%	0.746	S	S	*	*	S	Bend	trans	-98.8	-15.6	-174.9	-73.6	-23.7	0	0	0	114.6
526	E	41.6	Very low	39.2	Very low	139 Å²	139	149.6 Å²	149.6	65%	0.65	75%	0.749	S	S	*	*	H	α-helix	trans	-83	-24.3	-178.6	-73.4	-171.6	136	0	0	114.2
527	D	40.1	Very low	39.4	Very low	121 Å²	121	148 Å²	148	65%	0.647	75%	0.748	S	S	*	*	H	α-helix	trans	-82.6	-15.4	-178.4	-82.3	-27	0	0	0	114.4
528	V	48.1	Very low	39.3	Very low	103 Å²	103	150.9 Å²	150.9	62%	0.624	76%	0.755	S	S	*	*	H	α-helix	trans	-86.9	-27.2	177.3	-178.7	0	0	0	0	111.6
529	L	43.6	Very low	39.4	Very low	139 Å²	139	149.5 Å²	149.5	73%	0.728	76%	0.758	S	S	*	*	H	α-helix	trans	-78.2	-26.7	177.2	-92.8	138	0	0	0	113.1	K531	L529-K531 PolarHBondContact O-N 3.49Å
530	R	41.8	Very low	39.7	Very low	210 Å²	210	152.3 Å²	152.3	79%	0.792	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-3.7	-179	-73.1	-175.4	173.3	-160.3	-0	115.8
531	K	44.1	Very low	40	Very low	189 Å²	189	153.9 Å²	153.9	82%	0.822	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	1.5	-178.9	-86	178.6	178.1	170.2	0	116	L529	L529-K531 PolarHBondContact O-N 3.49Å
532	K	42.3	Very low	40	Very low	189 Å²	189	155.6 Å²	155.6	82%	0.822	77%	0.773	S	S	*	*	S	Bend	trans	-110.8	6.9	-177.6	-79.1	-175.4	176.1	176.6	0	116.4
533	Q	39.3	Very low	40.3	Very low	182 Å²	182	156.3 Å²	156.3	85%	0.85	78%	0.777	S	S	*	*	S	Bend	trans	-102.4	20.6	-174.4	-121.8	175.9	5.9	0	0	115.7
534	K	35.4	Very low	40.9	Very low	203 Å²	203	156.6 Å²	156.6	88%	0.883	78%	0.776	S	S	*	*			trans	-137.1	61	179.9	-82	-173.1	175.4	177.2	0	113.7
535	V	37.4	Very low	41.8	Very low	132 Å²	132	153.5 Å²	153.5	80%	0.8	77%	0.771	S	S	*	*			trans	-147.8	63.7	154.4	-167.4	0	0	0	0	109
536	L	37.7	Very low	41.8	Very low	169 Å²	169	153 Å²	153	89%	0.885	78%	0.777	S	S	*	*			trans	-102.8	93.6	161.9	-115	150.1	0	0	0	105.7	K538	L536-K538 VanDerWaalsContact C-N 3.34Å; L536-K538 PolarHBondContact O-N 3.35Å
537	L	37.1	Very low	42.1	Very low	160 Å²	160	161.3 Å²	161.3	84%	0.838	80%	0.802	S	S	*	*			trans	-62.6	98.2	170.9	-108.7	129.6	0	0	0	107.5	S539	L537-S539 PolarHBondContact O-N 2.89Å; L537-S539 VanDerWaalsContact O-N 3.08Å
538	K	36	Very low	42.2	Very low	187 Å²	187	163.3 Å²	163.3	81%	0.813	81%	0.81	S	S	*	*			trans	-57.7	107.2	163.3	-89.7	180	171.8	178.8	0	107.7	L536 Q540	L536-K538 VanDerWaalsContact C-N 3.34Å; L536-K538 PolarHBondContact O-N 3.35Å; K538-Q540 PolarHBondContact O-N 3.47Å; K538-Q540 VanDerWaalsContact O-N 3.1Å
539	S	39.7	Very low	41.9	Very low	114 Å²	114	166.5 Å²	166.5	80%	0.797	82%	0.819	S	S	*	*			trans	-66.2	102	159.8	46.8	0	0	0	0	108.2	L537 L541	L537-S539 PolarHBondContact O-N 2.89Å; L537-S539 VanDerWaalsContact O-N 3.08Å; S539-L541 PolarHBondContact O-N 3.3Å
540	Q	38.7	Very low	41.8	Very low	184 Å²	184	168 Å²	168	86%	0.86	82%	0.824	S	S	*	*			trans	-76.9	95	166.8	-74.9	-179.3	-31.1	0	0	108.2	K538	K538-Q540 PolarHBondContact O-N 3.47Å; K538-Q540 VanDerWaalsContact O-N 3.1Å
541	L	39.2	Very low	41.8	Very low	141 Å²	141	165.5 Å²	165.5	74%	0.738	83%	0.826	S	S	*	*			trans	-154.3	60.9	169.3	-123.6	150.9	0	0	0	109.5	S539 F544	S539-L541 PolarHBondContact O-N 3.3Å; L541-F544 HydrophobicContact CD2-CE2 4.28Å
542	T	40.2	Very low	41.6	Very low	132 Å²	132	164.1 Å²	164.1	81%	0.81	83%	0.827	S	S	*	*			trans	-148.6	77.2	170.3	55.9	0	0	0	0	109.4
543	D	46	Very low	41.6	Very low	134 Å²	134	162.4 Å²	162.4	72%	0.717	83%	0.827	S	S	*	*			trans	-166.3	107.8	144.5	-128.2	-26.6	0	0	0	109.1	S545	D543-S545 PolarHBondContact OD1-OG 3.26Å
544	F	49.9	Very low	41.8	Very low	179 Å²	179	161 Å²	161	79%	0.785	83%	0.825	S	S	*	*			trans	-114.8	24.8	175.5	-101.6	-78.1	0	0	0	111	L541 S546	L541-F544 HydrophobicContact CD2-CE2 4.28Å; F544-S546 PolarHBondContact O-N 3.05Å
545	S	55.1	Low	42.3	Very low	100 Å²	100	157.8 Å²	157.8	70%	0.699	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	17.9	-173.7	62.2	0	0	0	0	114.9	D543	D543-S545 PolarHBondContact OD1-OG 3.26Å
546	S	45.5	Very low	42.7	Very low	107 Å²	107	159.9 Å²	159.9	75%	0.748	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.4	19.4	-177.5	62.9	0	0	0	0	116.8	F544	F544-S546 PolarHBondContact O-N 3.05Å
547	W	46.9	Very low	43.1	Very low	312 Å²	312	159.1 Å²	159.1	100%	1.182	82%	0.817	S	S	*	*			trans	-121.6	0	169.7	-94.7	45	0	0	0	112.2

Retrieved 547 of 547 residues in 1379.5 ms (Link to these results)

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