A0A3Q0KGB5_SCHMA Loading...

serine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KGB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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	34	Very low	32.9	Very low	220 Å²	220	145.2 Å²	145.2	100%	1.084	67%	0.67	S	S	*	*				0	104.9	0	-90.4	174.1	141.9	0	0	108.9	L3	M1-L3 HydrophobicContact CB-CG 4.44Å; M1-L3 PolarHBondContact O-N 3.18Å; M1-L3 VanDerWaalsContact O-N 3.16Å
2	Q	31.3	Very low	33.3	Very low	207 Å²	207	135.2 Å²	135.2	97%	0.967	62%	0.623	S	S	*	*			trans	-72.5	97.8	166.2	-83.3	176.6	-25.2	0	0	107.5
3	L	32.5	Very low	34.1	Very low	111 Å²	111	136.6 Å²	136.6	58%	0.581	63%	0.63	S	S	*	*			trans	-83.5	117.4	176.2	-75.9	154.6	0	0	0	107.6	M1 S5 F8	M1-L3 HydrophobicContact CB-CG 4.44Å; M1-L3 PolarHBondContact O-N 3.18Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-S5 PolarHBondContact O-N 2.82Å; L3-F8 HydrophobicContact CB-CD2 4.49Å; L3-F8 HydrophobicContact CB-CE2 4.33Å; L3-F8 HydrophobicContact CD1-CE2 3.98Å
4	S	31.9	Very low	34.8	Very low	75 Å²	75	140.6 Å²	140.6	52%	0.524	64%	0.637	S	S	.	*			trans	-63.3	135.5	178.2	80.6	0	0	0	0	110.5	Y6 R7	S4-Y6 PolarHBondContact O-N 3.5Å; S4-R7 PolarHBondContact O-N 3.3Å; S4-R7 VanDerWaalsContact O-N 3.12Å
5	S	35.6	Very low	35.5	Very low	63 Å²	63	132.6 Å²	132.6	44%	0.441	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-51.5	-29.9	-172.9	45.7	0	0	0	0	114.1	L3	L3-S5 PolarHBondContact O-N 2.82Å
6	Y	30.5	Very low	36.1	Very low	212 Å²	212	134.1 Å²	134.1	83%	0.831	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-72.1	-27.5	-178.1	-82.2	-86.1	0	0	0	115	S4	S4-Y6 PolarHBondContact O-N 3.5Å
7	R	30.7	Very low	36.8	Very low	211 Å²	211	129.2 Å²	129.2	80%	0.796	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-80.1	-16.6	-177.8	-81.5	-172.4	177.2	-176.4	0.4	113.9	S4	S4-R7 PolarHBondContact O-N 3.3Å; S4-R7 VanDerWaalsContact O-N 3.12Å
8	F	32	Very low	37.1	Very low	70 Å²	70	124.6 Å²	124.6	31%	0.307	57%	0.566	S	S	.	*	S	Bend	trans	-73.1	-28.4	-175.8	-119.3	-101.6	0	0	0	113.9	L3 R10 L11 K334 C338	L3-F8 HydrophobicContact CB-CD2 4.49Å; L3-F8 HydrophobicContact CB-CE2 4.33Å; L3-F8 HydrophobicContact CD1-CE2 3.98Å; F8-R10 PolarHBondContact O-N 3.17Å; F8-L11 PolarHBondContact O-N 3.11Å; F8-K334 HydrophobicContact CD1-CD 4.42Å; F8-K334 HydrophobicContact CD1-CG 4.31Å; F8-K334 HydrophobicContact CE1-CD 4.09Å; F8-K334 HydrophobicContact CE1-CG 3.99Å; F8-C338 WeakPolarHBondContact CD1-SG 3.06Å
9	F	34.2	Very low	37.4	Very low	58 Å²	58	118.7 Å²	118.7	25%	0.254	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-77.2	-22.9	-169.5	-84.4	-89.2	0	0	0	115.2	L11 F12 R199 C338	F9-L11 PolarHBondContact O-N 3.27Å; F9-F12 HydrophobicContact CD1-CD2 4.3Å; F9-F12 HydrophobicContact CD1-CE2 4.18Å; F9-F12 HydrophobicContact CE1-CE2 4.2Å; F9-R199 VanDerWaalsContact CE2-CZ 3.43Å; F9-C338 HydrophobicContact CE2-CB 4.3Å; F9-C338 HydrophobicContact CZ-CB 4.07Å
10	R	34.4	Very low	37.7	Very low	243 Å²	243	120.6 Å²	120.6	92%	0.917	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-69.5	-9.5	176.3	-84.5	-168.8	178.7	-173.6	1	113.8	F8	F8-R10 PolarHBondContact O-N 3.17Å
11	L	35.3	Very low	38	Very low	127 Å²	127	118.1 Å²	118.1	67%	0.665	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-90.4	-3.8	-177.4	-141	88.5	0	0	0	114.6	F8 F9 H13	F8-L11 PolarHBondContact O-N 3.11Å; F9-L11 PolarHBondContact O-N 3.27Å; L11-H13 PolarHBondContact O-N 3.02Å; L11-H13 VanDerWaalsContact O-N 3.13Å
12	F	37.9	Very low	38.4	Very low	25 Å²	25	111 Å²	111	11%	0.11	50%	0.502	C	S	.	.			trans	-76.1	102.7	169.9	-67.8	-80.3	0	0	0	107.1	F9 R14 T203 K334 L335	F9-F12 HydrophobicContact CD1-CD2 4.3Å; F9-F12 HydrophobicContact CD1-CE2 4.18Å; F9-F12 HydrophobicContact CE1-CE2 4.2Å; F12-R14 VanDerWaalsContact C-N 3.26Å; F12-R14 PolarHBondContact O-N 3.2Å; F12-T203 HydrophobicContact CD1-CG2 4.38Å; F12-T203 HydrophobicContact CE1-CG2 4.48Å; F12-K334 HydrophobicContact CZ-CG 4.27Å; F12-L335 HydrophobicContact CE1-CB 4.25Å; F12-L335 HydrophobicContact CZ-CB 4.15Å; F12-L335 HydrophobicContact CZ-CD1 4.12Å
13	H	43.2	Very low	38.7	Very low	154 Å²	154	110.7 Å²	110.7	71%	0.713	50%	0.501	S	S	*	.			trans	-52.3	107.4	152	-83.3	-79.3	0	0	0	104.4	L11 L15	L11-H13 PolarHBondContact O-N 3.02Å; L11-H13 VanDerWaalsContact O-N 3.13Å; H13-L15 PolarHBondContact O-N 2.95Å
14	R	44	Very low	39	Very low	192 Å²	192	108.4 Å²	108.4	73%	0.725	49%	0.489	S	S	*	.			trans	-47.9	124.8	175	-78.8	-179.2	175.7	174.4	-1.6	105	F12 R16	F12-R14 VanDerWaalsContact C-N 3.26Å; F12-R14 PolarHBondContact O-N 3.2Å; R14-R16 PolarHBondContact O-N 2.8Å
15	L	45.8	Very low	39.1	Very low	21 Å²	21	109.2 Å²	109.2	11%	0.11	49%	0.494	C	S	.	.			trans	-57.1	94.4	160.8	-67.9	165.1	0	0	0	104	H13 N17 T203 G204 F205 A282 M328	H13-L15 PolarHBondContact O-N 2.95Å; L15-N17 PolarHBondContact O-N 3.04Å; L15-T203 PolarHBondContact N-O 3.11Å; L15-T203 VanDerWaalsContact N-O 3.12Å; L15-G204 WeakPolarHBondContact O-CA 3.41Å; L15-F205 HydrophobicContact CD1-CD2 4.06Å; L15-F205 HydrophobicContact CD1-CE2 4.1Å; L15-A282 HydrophobicContact CD2-CB 4.34Å; L15-M328 HydrophobicContact CD1-CE 3.85Å; L15-M328 HydrophobicContact CD1-SD 4.29Å; L15-M328 HydrophobicContact CD2-SD 4.34Å
16	R	44.8	Very low	39	Very low	156 Å²	156	108.4 Å²	108.4	59%	0.589	49%	0.488	S	S	*	.			trans	-64.8	112.4	165.5	-73.8	-176.1	177.8	-178	1	100.9	R14 P18 S280	R14-R16 PolarHBondContact O-N 2.8Å; R16-P18 WeakPolarHBondContact O-CD 3.09Å; R16-S280 WeakPolarHBondContact O-CB 3.4Å; R16-S280 PolarHBondContact O-OG 3.04Å
17	N	47.6	Very low	39.4	Very low	51 Å²	51	103.2 Å²	103.2	27%	0.273	48%	0.478	S	S	.	.			trans	-90.5	85.9	172	-92	-10.3	0	0	0	107.1	L15 G204 L283	L15-N17 PolarHBondContact O-N 3.04Å; N17-G204 PolarHBondContact ND2-O 3.16Å; N17-L283 WeakPolarHBondContact ND2-CD1 3.29Å; N17-L283 WeakPolarHBondContact OD1-CD1 3.26Å
18	P	43	Very low	40	Very low	46 Å²	46	96.3 Å²	96.3	30%	0.299	45%	0.452	S	S	.	.			trans	-89.3	3.3	165.5	43.3	-41	0	0	0	110.8	R16 K20 T267	R16-P18 WeakPolarHBondContact O-CD 3.09Å; P18-K20 PolarHBondContact O-N 3.19Å; P18-T267 WeakPolarHBondContact CB-O 3.19Å; P18-T267 WeakPolarHBondContact CG-O 3.34Å; P18-T267 PolarHBondContact O-OG1 2.75Å
19	C	42.4	Very low	40.4	Very low	13 Å²	13	97.6 Å²	97.6	9%	0.088	46%	0.462	C	S	.	.			trans	-61.7	102.5	175.8	-67.7	0	0	0	0	109.4	N265	C19-N265 PolarHBondContact SG-O 2.93Å
20	K	43.2	Very low	40.7	Very low	157 Å²	157	100.4 Å²	100.4	68%	0.683	48%	0.48	S	S	*	.			trans	-69.9	134.1	164.6	-72.6	-173.8	175.8	-176.5	0	108	P18 N22	P18-K20 PolarHBondContact O-N 3.19Å; K20-N22 PolarHBondContact O-N 3.42Å
21	F	44.8	Very low	41.2	Very low	69 Å²	69	95.5 Å²	95.5	30%	0.303	47%	0.467	S	S	.	.			trans	-64.8	103.5	160	-58.1	-77.7	0	0	0	106.1	E23 E206 F258 F264 L283	F21-E23 PolarHBondContact O-N 3.49Å; F21-E23 VanDerWaalsContact O-N 3.14Å; F21-E206 WeakPolarHBondContact CE2-OE2 3.37Å; F21-E206 WeakPolarHBondContact CZ-OE2 3.35Å; F21-F258 AromaticContact CE1-CE1 3.79Å; F21-F258 HydrophobicContact CE1-CE1 3.79Å; F21-F258 HydrophobicContact CE1-CZ 4.26Å; F21-F258 HydrophobicContact CZ-CE1 4.15Å; F21-F258 HydrophobicContact CZ-CZ 4.45Å; F21-F264 HydrophobicContact CD1-CE1 4.14Å; F21-F264 HydrophobicContact CE1-CE1 4.13Å; F21-L283 HydrophobicContact CE1-CD2 4.34Å
22	N	41.5	Very low	41.4	Very low	69 Å²	69	97.9 Å²	97.9	37%	0.369	47%	0.474	S	S	.	.			trans	-57.6	124.4	162.1	-75.7	-25.9	0	0	0	105.6	K20 I24	K20-N22 PolarHBondContact O-N 3.42Å; N22-I24 HydrophobicContact CB-CD1 4.32Å; N22-I24 HydrophobicContact CB-CG1 3.85Å; N22-I24 PolarHBondContact O-N 3.08Å
23	E	36.8	Very low	41.5	Very low	201 Å²	201	100.6 Å²	100.6	94%	0.939	49%	0.49	S	S	*	.			trans	-63.5	75.5	166.4	-77.3	-174.9	160.9	0	0	107.6	F21	F21-E23 PolarHBondContact O-N 3.49Å; F21-E23 VanDerWaalsContact O-N 3.14Å
24	I	38.9	Very low	41.3	Very low	64 Å²	64	93.8 Å²	93.8	33%	0.328	46%	0.458	S	S	.	.			trans	-82	123.8	168.2	-56.1	-175.7	0	0	0	104.8	N22 C26	N22-I24 HydrophobicContact CB-CD1 4.32Å; N22-I24 HydrophobicContact CB-CG1 3.85Å; N22-I24 PolarHBondContact O-N 3.08Å; I24-C26 PolarHBondContact O-N 3.04Å
25	S	33.7	Very low	41.1	Very low	91 Å²	91	88 Å²	88	64%	0.636	45%	0.447	S	S	*	.			trans	-43.9	113.9	165.2	49	0	0	0	0	107.5	V27	S25-V27 WeakPolarHBondContact O-CG2 3.2Å; S25-V27 PolarHBondContact O-N 3.11Å
26	C	34	Very low	40.9	Very low	47 Å²	47	95 Å²	95	32%	0.318	48%	0.479	S	S	.	.			trans	-67.5	91.1	176.2	-168.4	0	0	0	0	106.8	I24 Y28 L29	I24-C26 PolarHBondContact O-N 3.04Å; C26-Y28 PolarHBondContact O-N 3.42Å; C26-L29 HydrophobicContact CB-CB 4.37Å; C26-L29 HydrophobicContact CB-CD1 4.34Å; C26-L29 PolarHBondContact O-N 3.16Å; C26-L29 WeakPolarHBondContact SG-CD1 3.22Å; C26-L29 VanDerWaalsContact SG-CG 3.5Å
27	V	39	Very low	40.8	Very low	102 Å²	102	90.1 Å²	90.1	62%	0.618	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.1	-175.4	-176.4	0	0	0	0	111	S25	S25-V27 WeakPolarHBondContact O-CG2 3.2Å; S25-V27 PolarHBondContact O-N 3.11Å
28	Y	44.3	Very low	40.8	Very low	66 Å²	66	91.5 Å²	91.5	26%	0.259	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-6	-172.4	-66.4	-76.4	0	0	0	115.8	C26 Y34 N395	C26-Y28 PolarHBondContact O-N 3.42Å; Y28-Y34 WeakPolarHBondContact O-CD2 3.3Å; Y28-Y34 WeakPolarHBondContact O-CE2 3.38Å; Y28-N395 HydrophobicContact CE2-CB 4.06Å
29	L	40.5	Very low	41.3	Very low	98 Å²	98	95.1 Å²	95.1	51%	0.513	49%	0.487	S	S	.	.			trans	-112.6	18	-171.5	-71.4	177.1	0	0	0	115.8	C26 H31 Y34	C26-L29 HydrophobicContact CB-CB 4.37Å; C26-L29 HydrophobicContact CB-CD1 4.34Å; C26-L29 PolarHBondContact O-N 3.16Å; C26-L29 WeakPolarHBondContact SG-CD1 3.22Å; C26-L29 VanDerWaalsContact SG-CG 3.5Å; L29-H31 PolarHBondContact O-N 3.07Å; L29-H31 VanDerWaalsContact O-N 3.08Å; L29-Y34 HydrophobicContact CD2-CE2 3.87Å
30	N	39.7	Very low	42	Very low	117 Å²	117	95.7 Å²	95.7	63%	0.626	49%	0.492	S	S	*	.			trans	-70.3	108.9	165	-93.9	-18.6	0	0	0	109.1	H32 N33 Y34	N30-H32 PolarHBondContact O-N 3.43Å; N30-N33 PolarHBondContact O-N 3.4Å; N30-Y34 PolarHBondContact O-N 3.28Å
31	H	43.9	Very low	43.2	Very low	139 Å²	139	89.2 Å²	89.2	64%	0.644	46%	0.463	S	S	*	.	H	α-helix	trans	-45.7	-33.6	-179.2	-98.2	-57.3	0	0	0	114	L29 Y245	L29-H31 PolarHBondContact O-N 3.07Å; L29-H31 VanDerWaalsContact O-N 3.08Å; H31-Y245 PolarHBondContact CE1-OH 3.38Å
32	H	41	Very low	44.4	Very low	178 Å²	178	88.9 Å²	88.9	82%	0.824	46%	0.463	S	S	*	.	H	α-helix	trans	-68.5	-33.6	178.5	-85.5	44.2	0	0	0	113.6	N30	N30-H32 PolarHBondContact O-N 3.43Å
33	N	39.9	Very low	46.1	Very low	81 Å²	81	86.1 Å²	86.1	43%	0.433	45%	0.449	S	S	.	.	H	α-helix	trans	-89.7	-17.3	-177.6	-73.4	-14.1	0	0	0	113.3	N30 C35 Q36 Q37	N30-N33 PolarHBondContact O-N 3.4Å; N33-C35 PolarHBondContact O-N 3.08Å; N33-C35 VanDerWaalsContact O-N 3.17Å; N33-Q36 PolarHBondContact O-N 3.42Å; N33-Q36 VanDerWaalsContact O-N 3.1Å; N33-Q37 HydrophobicContact CB-CG 4.43Å; N33-Q37 WeakPolarHBondContact O-CB 3.23Å; N33-Q37 VanDerWaalsContact O-CG 3.25Å; N33-Q37 WeakPolarHBondContact O-CG 3.49Å; N33-Q37 PolarHBondContact O-N 3.43Å; N33-Q37 VanDerWaalsContact O-N 3.1Å
34	Y	38.9	Very low	48.2	Very low	11 Å²	11	82.1 Å²	82.1	4%	0.043	43%	0.429	C	S	.	.	H	α-helix	trans	-58.5	-33.1	-178.2	-139.6	-93	0	0	0	112.9	Y28 L29 N30 Q36 Q37 F41 P215 P217 L243	Y28-Y34 WeakPolarHBondContact O-CD2 3.3Å; Y28-Y34 WeakPolarHBondContact O-CE2 3.38Å; L29-Y34 HydrophobicContact CD2-CE2 3.87Å; N30-Y34 PolarHBondContact O-N 3.28Å; Y34-Q36 VanDerWaalsContact C-N 3.26Å; Y34-Q36 PolarHBondContact O-N 3.34Å; Y34-Q37 PolarHBondContact O-N 3.28Å; Y34-F41 HydrophobicContact CE1-CE2 4.32Å; Y34-F41 AromaticContact CE2-CE2 3.86Å; Y34-F41 HydrophobicContact CE2-CE2 3.86Å; Y34-F41 HydrophobicContact CE2-CZ 4.3Å; Y34-F41 AromaticContact CZ-CE2 3.5Å; Y34-F41 WeakPolarHBondContact OH-CE2 3.19Å; Y34-F41 WeakPolarHBondContact OH-CZ 3.29Å; Y34-P215 HydrophobicContact CE1-CB 4.06Å; Y34-P217 HydrophobicContact CE1-CB 4.38Å; Y34-P217 HydrophobicContact CE1-CG 3.99Å; Y34-L243 HydrophobicContact CD1-CD1 3.72Å; Y34-L243 HydrophobicContact CD1-CD2 3.55Å; Y34-L243 HydrophobicContact CD1-CG 4.26Å; Y34-L243 HydrophobicContact CE1-CD1 3.83Å; Y34-L243 HydrophobicContact CE1-CD2 3.85Å; Y34-L243 HydrophobicContact CG-CD2 4.31Å
35	C	38.9	Very low	50.6	Low	72 Å²	72	81.3 Å²	81.3	49%	0.486	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.1	179.7	-74.5	0	0	0	0	113.8	N33	N33-C35 PolarHBondContact O-N 3.08Å; N33-C35 VanDerWaalsContact O-N 3.17Å
36	Q	40.9	Very low	53.4	Low	168 Å²	168	80.9 Å²	80.9	79%	0.785	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-19.6	174.9	-69.4	-176.8	-9.7	0	0	112.1	N33 Y34 S38	N33-Q36 PolarHBondContact O-N 3.42Å; N33-Q36 VanDerWaalsContact O-N 3.1Å; Y34-Q36 VanDerWaalsContact C-N 3.26Å; Y34-Q36 PolarHBondContact O-N 3.34Å; Q36-S38 PolarHBondContact O-N 3.19Å
37	Q	43.9	Very low	56.2	Low	53 Å²	53	79.7 Å²	79.7	25%	0.248	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-94.5	23.9	-171.3	-72	-178.1	-2.1	0	0	114.5	N33 Y34 K39 S40	N33-Q37 HydrophobicContact CB-CG 4.43Å; N33-Q37 WeakPolarHBondContact O-CB 3.23Å; N33-Q37 VanDerWaalsContact O-CG 3.25Å; N33-Q37 WeakPolarHBondContact O-CG 3.49Å; N33-Q37 PolarHBondContact O-N 3.43Å; N33-Q37 VanDerWaalsContact O-N 3.1Å; Y34-Q37 PolarHBondContact O-N 3.28Å; Q37-K39 PolarHBondContact O-N 3.37Å; Q37-S40 VanDerWaalsContact O-CB 3.3Å; Q37-S40 WeakPolarHBondContact O-CB 3.32Å; Q37-S40 PolarHBondContact O-N 3.12Å; Q37-S40 PolarHBondContact O-OG 3.25Å
38	S	47.8	Very low	58.8	Low	80 Å²	80	79.9 Å²	79.9	56%	0.559	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-55.5	-25.1	167.1	64.3	0	0	0	0	112	Q36 S40	Q36-S38 PolarHBondContact O-N 3.19Å; S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 PolarHBondContact O-N 3.39Å
39	K	53.8	Low	61.2	Low	121 Å²	121	79.6 Å²	79.6	53%	0.526	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-63.9	-20.5	169.9	-64.5	-167.2	175.4	-162.4	0	114.4	Q37 F41 Q42 D92	Q37-K39 PolarHBondContact O-N 3.37Å; K39-F41 VanDerWaalsContact C-N 3.26Å; K39-F41 PolarHBondContact O-N 3.06Å; K39-Q42 WeakPolarHBondContact O-CB 3.22Å; K39-Q42 WeakPolarHBondContact O-CG 3.45Å; K39-Q42 PolarHBondContact O-N 3.02Å; K39-D92 IonicContact NZ-OD1 2.7Å; K39-D92 IonicContact NZ-OD2 2.68Å
40	S	55.7	Low	63.8	Low	26 Å²	26	75.3 Å²	75.3	18%	0.182	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-69	-23.6	-179.1	67.7	0	0	0	0	113.7	Q37 S38 Q42	Q37-S40 VanDerWaalsContact O-CB 3.3Å; Q37-S40 WeakPolarHBondContact O-CB 3.32Å; Q37-S40 PolarHBondContact O-N 3.12Å; Q37-S40 PolarHBondContact O-OG 3.25Å; S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 PolarHBondContact O-N 3.39Å; S40-Q42 VanDerWaalsContact C-N 3.34Å
41	F	69.1	Low	66.5	Low	20 Å²	20	75 Å²	75	9%	0.088	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-95.6	15.6	177.9	-66.6	-76.5	0	0	0	113.8	Y34 K39 P217 V218 A221 R393 L394	Y34-F41 HydrophobicContact CE1-CE2 4.32Å; Y34-F41 AromaticContact CE2-CE2 3.86Å; Y34-F41 HydrophobicContact CE2-CE2 3.86Å; Y34-F41 HydrophobicContact CE2-CZ 4.3Å; Y34-F41 AromaticContact CZ-CE2 3.5Å; Y34-F41 WeakPolarHBondContact OH-CE2 3.19Å; Y34-F41 WeakPolarHBondContact OH-CZ 3.29Å; K39-F41 VanDerWaalsContact C-N 3.26Å; K39-F41 PolarHBondContact O-N 3.06Å; F41-P217 HydrophobicContact CB-CB 4.43Å; F41-P217 HydrophobicContact CD2-CB 3.6Å; F41-P217 HydrophobicContact CE2-CB 4.18Å; F41-P217 HydrophobicContact CG-CB 4.15Å; F41-V218 HydrophobicContact CZ-CG2 4.36Å; F41-A221 HydrophobicContact CB-CB 4.23Å; F41-A221 HydrophobicContact CD1-CB 3.88Å; F41-A221 HydrophobicContact CG-CB 4.39Å; F41-R393 VanDerWaalsContact CA-O 3.25Å; F41-R393 WeakPolarHBondContact CA-O 3.29Å; F41-R393 VanDerWaalsContact CD1-O 3.26Å; F41-R393 WeakPolarHBondContact CD1-O 3.5Å; F41-L394 HydrophobicContact CD1-CD2 3.68Å; F41-L394 HydrophobicContact CE1-CD2 3.48Å; F41-L394 VanDerWaalsContact CE1-CD2 3.48Å
42	Q	70.7	Confident	69.1	Low	63 Å²	63	72.2 Å²	72.2	29%	0.294	37%	0.37	S	S	.	.	S	Bend	trans	-73.8	144.6	172.5	-71.7	-169.8	-23.9	0	0	110.3	K39 S40 H44	K39-Q42 WeakPolarHBondContact O-CB 3.22Å; K39-Q42 WeakPolarHBondContact O-CG 3.45Å; K39-Q42 PolarHBondContact O-N 3.02Å; S40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-H44 PolarHBondContact O-N 2.98Å
43	P	77.1	Confident	71.7	Confident	11 Å²	11	65.6 Å²	65.6	7%	0.071	35%	0.351	C	S	.	.			trans	-61.7	130.8	174.8	27	-32.7	0	0	0	109.4	F45 V98 C99 R393	P43-F45 PolarHBondContact O-N 3.45Å; P43-F45 VanDerWaalsContact O-N 3.08Å; P43-V98 HydrophobicContact CG-CG1 4.18Å; P43-C99 WeakPolarHBondContact CD-SG 3.28Å; P43-R393 HydrophobicContact CB-CG 4.01Å
44	H	81.6	Confident	74.5	Confident	116 Å²	116	68.7 Å²	68.7	54%	0.537	36%	0.36	S	S	.	.			trans	-62.3	110.6	159.1	-177.4	77.6	0	0	0	108.5	Q42 K392 F407	Q42-H44 PolarHBondContact O-N 2.98Å; H44-K392 HydrophobicContact CB-CB 4.46Å; H44-K392 HydrophobicContact CB-CG 4.38Å; H44-K392 PolarHBondContact N-O 3.43Å; H44-F407 HydrophobicContact CB-CE2 3.81Å; H44-F407 HydrophobicContact CB-CZ 3.56Å; H44-F407 AromaticContact CD2-CE2 3.59Å; H44-F407 AromaticContact CG-CE2 3.79Å; H44-F407 AromaticContact CG-CZ 3.89Å
45	F	88.4	Confident	77.2	Confident	47 Å²	47	69.3 Å²	69.3	21%	0.206	36%	0.363	C	S	.	.			trans	-131.6	125.7	-178.4	-172.2	-86.7	0	0	0	109.2	P43 L47 F50 F55 V98 L101	P43-F45 PolarHBondContact O-N 3.45Å; P43-F45 VanDerWaalsContact O-N 3.08Å; F45-L47 HydrophobicContact CD1-CD2 3.89Å; F45-L47 HydrophobicContact CD1-CG 4.47Å; F45-L47 HydrophobicContact CE1-CD2 4.18Å; F45-L47 PolarHBondContact O-N 2.74Å; F45-F50 HydrophobicContact CE1-CD2 4.33Å; F45-F50 HydrophobicContact CE1-CE1 4.06Å; F45-F50 AromaticContact CE1-CE2 3.72Å; F45-F50 HydrophobicContact CE1-CE2 3.72Å; F45-F50 AromaticContact CE1-CZ 3.56Å; F45-F50 HydrophobicContact CE1-CZ 3.56Å; F45-F50 AromaticContact CZ-CE1 3.85Å; F45-F50 HydrophobicContact CZ-CE1 3.85Å; F45-F50 HydrophobicContact CZ-CE2 4.31Å; F45-F50 AromaticContact CZ-CZ 3.67Å; F45-F50 HydrophobicContact CZ-CZ 3.67Å; F45-F55 HydrophobicContact CE2-CZ 4.18Å; F45-F55 HydrophobicContact CZ-CE1 4.14Å; F45-F55 AromaticContact CZ-CZ 3.92Å; F45-F55 HydrophobicContact CZ-CZ 3.92Å; F45-V98 HydrophobicContact CB-CG1 3.66Å; F45-V98 HydrophobicContact CD1-CG1 3.98Å; F45-V98 HydrophobicContact CD1-CG2 4.37Å; F45-V98 HydrophobicContact CD2-CG1 3.77Å; F45-V98 HydrophobicContact CE2-CG1 4.42Å; F45-V98 HydrophobicContact CG-CG1 3.51Å; F45-L101 HydrophobicContact CE2-CD1 3.93Å; F45-L101 HydrophobicContact CZ-CD1 4.31Å
46	D	91.6	Very high	80.1	Confident	82 Å²	82	67.2 Å²	67.2	44%	0.439	35%	0.347	S	S	.	.			trans	-81.3	106.3	175.1	-177.6	3.3	0	0	0	109.2	D48 L49	D46-D48 PolarHBondContact O-N 2.77Å; D46-D48 WeakPolarHBondContact OD1-CB 3.33Å; D46-D48 PolarHBondContact OD1-N 3.43Å; D46-L49 HydrophobicContact CB-CD1 4.13Å; D46-L49 HydrophobicContact CB-CG 4.1Å; D46-L49 WeakPolarHBondContact O-CB 3.41Å; D46-L49 WeakPolarHBondContact O-CG 3.21Å; D46-L49 PolarHBondContact O-N 2.91Å
47	L	92.9	Very high	82.8	Confident	23 Å²	23	63.8 Å²	63.8	12%	0.12	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-66.1	-19.8	-179.7	-68.2	176.1	0	0	0	112.5	F45 L49 F50 Y79 Y82 L94 M95 V98	F45-L47 HydrophobicContact CD1-CD2 3.89Å; F45-L47 HydrophobicContact CD1-CG 4.47Å; F45-L47 HydrophobicContact CE1-CD2 4.18Å; F45-L47 PolarHBondContact O-N 2.74Å; L47-L49 PolarHBondContact O-N 3.38Å; L47-F50 HydrophobicContact CD2-CD2 4.14Å; L47-F50 HydrophobicContact CD2-CE2 3.82Å; L47-F50 WeakPolarHBondContact O-CB 3.27Å; L47-F50 PolarHBondContact O-N 2.56Å; L47-F50 VanDerWaalsContact O-N 3.08Å; L47-Y79 HydrophobicContact CB-CD2 4.17Å; L47-Y79 HydrophobicContact CB-CE2 3.76Å; L47-Y79 VanDerWaalsContact O-CE2 3.3Å; L47-Y79 WeakPolarHBondContact O-CE2 3.35Å; L47-Y82 HydrophobicContact CD1-CE1 4.23Å; L47-L94 HydrophobicContact CD1-CD2 4.31Å; L47-L94 HydrophobicContact CD2-CD2 3.86Å; L47-L94 HydrophobicContact CD2-CG 4.3Å; L47-M95 HydrophobicContact CD2-SD 4.17Å; L47-V98 HydrophobicContact CD2-CG2 4.48Å
48	D	93.7	Very high	85.3	Confident	106 Å²	106	64.7 Å²	64.7	57%	0.567	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-70.9	-16	179.1	-67.5	-23.6	0	0	0	112.3	D46 F50 N51 Y79	D46-D48 PolarHBondContact O-N 2.77Å; D46-D48 WeakPolarHBondContact OD1-CB 3.33Å; D46-D48 PolarHBondContact OD1-N 3.43Å; D48-F50 PolarHBondContact O-N 3.02Å; D48-N51 WeakPolarHBondContact O-CB 3.35Å; D48-N51 PolarHBondContact O-N 3.14Å; D48-N51 PolarHBondContact O-ND2 3.31Å; D48-Y79 PolarHBondContact OD1-OH 3.44Å
49	L	95	Very high	87.7	Confident	59 Å²	59	61 Å²	61	31%	0.309	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23.1	168.5	-66	174.2	0	0	0	112.5	D46 L47 N51 D52 F55	D46-L49 HydrophobicContact CB-CD1 4.13Å; D46-L49 HydrophobicContact CB-CG 4.1Å; D46-L49 WeakPolarHBondContact O-CB 3.41Å; D46-L49 WeakPolarHBondContact O-CG 3.21Å; D46-L49 PolarHBondContact O-N 2.91Å; L47-L49 PolarHBondContact O-N 3.38Å; L49-N51 PolarHBondContact O-N 2.88Å; L49-D52 PolarHBondContact O-N 2.91Å; L49-F55 HydrophobicContact CB-CD1 3.78Å; L49-F55 HydrophobicContact CB-CD2 4.27Å; L49-F55 HydrophobicContact CB-CE1 3.83Å; L49-F55 HydrophobicContact CB-CE2 4.31Å; L49-F55 HydrophobicContact CB-CG 4.01Å; L49-F55 HydrophobicContact CB-CZ 4.1Å; L49-F55 HydrophobicContact CD1-CD2 4.34Å; L49-F55 HydrophobicContact CD1-CE2 3.93Å; L49-F55 HydrophobicContact CD1-CZ 4.11Å; L49-F55 HydrophobicContact CD2-CD2 4.48Å; L49-F55 VanDerWaalsContact O-CD1 3.24Å; L49-F55 WeakPolarHBondContact O-CD1 3.47Å
50	F	96.4	Very high	89.8	Confident	8 Å²	8	60 Å²	60	4%	0.035	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-73.5	-0.7	172.7	-65.6	-38.1	0	0	0	114.1	F45 L47 D48 F55 I56 L59 M75 L76 Y79 L94 V98	F45-F50 HydrophobicContact CE1-CD2 4.33Å; F45-F50 HydrophobicContact CE1-CE1 4.06Å; F45-F50 AromaticContact CE1-CE2 3.72Å; F45-F50 HydrophobicContact CE1-CE2 3.72Å; F45-F50 AromaticContact CE1-CZ 3.56Å; F45-F50 HydrophobicContact CE1-CZ 3.56Å; F45-F50 AromaticContact CZ-CE1 3.85Å; F45-F50 HydrophobicContact CZ-CE1 3.85Å; F45-F50 HydrophobicContact CZ-CE2 4.31Å; F45-F50 AromaticContact CZ-CZ 3.67Å; F45-F50 HydrophobicContact CZ-CZ 3.67Å; L47-F50 HydrophobicContact CD2-CD2 4.14Å; L47-F50 HydrophobicContact CD2-CE2 3.82Å; L47-F50 WeakPolarHBondContact O-CB 3.27Å; L47-F50 PolarHBondContact O-N 2.56Å; L47-F50 VanDerWaalsContact O-N 3.08Å; D48-F50 PolarHBondContact O-N 3.02Å; F50-F55 HydrophobicContact CD1-CE1 4.08Å; F50-F55 HydrophobicContact CE1-CE1 4.08Å; F50-I56 WeakPolarHBondContact O-CD1 3.31Å; F50-L59 HydrophobicContact CE1-CD2 4.14Å; F50-M75 HydrophobicContact CZ-CE 4.11Å; F50-L76 HydrophobicContact CB-CD2 3.99Å; F50-L76 HydrophobicContact CD1-CD2 3.78Å; F50-L76 HydrophobicContact CE1-CD2 4.48Å; F50-L76 HydrophobicContact CG-CD2 3.98Å; F50-Y79 HydrophobicContact CB-CD1 3.59Å; F50-Y79 HydrophobicContact CB-CD2 4.45Å; F50-Y79 HydrophobicContact CB-CE1 3.77Å; F50-Y79 HydrophobicContact CB-CG 3.96Å; F50-Y79 HydrophobicContact CD2-CD1 4.34Å; F50-Y79 AromaticContact CD2-CD2 3.94Å; F50-Y79 HydrophobicContact CD2-CD2 3.94Å; F50-Y79 AromaticContact CD2-CG 3.81Å; F50-Y79 HydrophobicContact CD2-CG 3.81Å; F50-Y79 HydrophobicContact CG-CD1 4.44Å; F50-Y79 HydrophobicContact CG-CG 4.35Å; F50-L94 HydrophobicContact CE2-CD1 4.13Å; F50-V98 HydrophobicContact CE2-CG2 4.29Å; F50-V98 HydrophobicContact CZ-CG2 4.22Å
51	N	95.9	Very high	91.9	Very high	112 Å²	112	65 Å²	65	60%	0.599	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-95	-11.4	165.9	-60.6	-53.4	0	0	0	112.8	D48 L49 Y79	D48-N51 WeakPolarHBondContact O-CB 3.35Å; D48-N51 PolarHBondContact O-N 3.14Å; D48-N51 PolarHBondContact O-ND2 3.31Å; L49-N51 PolarHBondContact O-N 2.88Å; N51-Y79 PolarHBondContact ND2-OH 2.72Å
52	D	97.3	Very high	93.2	Very high	79 Å²	79	64.6 Å²	64.6	42%	0.422	33%	0.327	S	S	.	.			trans	-88.2	108	178.1	179.6	-4.2	0	0	0	110.3	L49 K54 F55 I56	L49-D52 PolarHBondContact O-N 2.91Å; D52-K54 PolarHBondContact O-N 3.44Å; D52-K54 WeakPolarHBondContact OD1-CB 3.46Å; D52-K54 PolarHBondContact OD1-N 3.16Å; D52-F55 HydrophobicContact CB-CB 3.85Å; D52-F55 WeakPolarHBondContact O-CB 3.43Å; D52-F55 PolarHBondContact O-N 2.81Å; D52-F55 VanDerWaalsContact O-N 3.12Å; D52-F55 PolarHBondContact OD1-N 3.22Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 2.83Å
53	G	96.8	Very high	94.6	Very high	40 Å²	40	62 Å²	62	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-56.4	-37.3	178.7	0	0	0	0	0	113.4	I56 D57	G53-I56 PolarHBondContact O-N 2.99Å; G53-D57 VanDerWaalsContact O-CG 3.26Å; G53-D57 PolarHBondContact O-N 3.16Å
54	K	97.4	Very high	95.5	Very high	146 Å²	146	66.6 Å²	66.6	64%	0.635	34%	0.342	S	S	*	.	H	α-helix	trans	-69.1	-38.3	178.9	-174.3	-179	179.5	-178.1	0	111.3	D52 I56 D57 N58	D52-K54 PolarHBondContact O-N 3.44Å; D52-K54 WeakPolarHBondContact OD1-CB 3.46Å; D52-K54 PolarHBondContact OD1-N 3.16Å; K54-I56 VanDerWaalsContact C-N 3.34Å; K54-D57 PolarHBondContact O-N 2.9Å; K54-N58 WeakPolarHBondContact O-CB 3.08Å; K54-N58 PolarHBondContact O-N 2.77Å; K54-N58 PolarHBondContact O-ND2 3.11Å
55	F	97.2	Very high	96.3	Very high	23 Å²	23	61.9 Å²	61.9	10%	0.101	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-44.5	173.7	175	-95.3	0	0	0	111.1	F45 L49 F50 D52 N58 L59 F104	F45-F55 HydrophobicContact CE2-CZ 4.18Å; F45-F55 HydrophobicContact CZ-CE1 4.14Å; F45-F55 AromaticContact CZ-CZ 3.92Å; F45-F55 HydrophobicContact CZ-CZ 3.92Å; L49-F55 HydrophobicContact CB-CD1 3.78Å; L49-F55 HydrophobicContact CB-CD2 4.27Å; L49-F55 HydrophobicContact CB-CE1 3.83Å; L49-F55 HydrophobicContact CB-CE2 4.31Å; L49-F55 HydrophobicContact CB-CG 4.01Å; L49-F55 HydrophobicContact CB-CZ 4.1Å; L49-F55 HydrophobicContact CD1-CD2 4.34Å; L49-F55 HydrophobicContact CD1-CE2 3.93Å; L49-F55 HydrophobicContact CD1-CZ 4.11Å; L49-F55 HydrophobicContact CD2-CD2 4.48Å; L49-F55 VanDerWaalsContact O-CD1 3.24Å; L49-F55 WeakPolarHBondContact O-CD1 3.47Å; F50-F55 HydrophobicContact CD1-CE1 4.08Å; F50-F55 HydrophobicContact CE1-CE1 4.08Å; D52-F55 HydrophobicContact CB-CB 3.85Å; D52-F55 WeakPolarHBondContact O-CB 3.43Å; D52-F55 PolarHBondContact O-N 2.81Å; D52-F55 VanDerWaalsContact O-N 3.12Å; D52-F55 PolarHBondContact OD1-N 3.22Å; F55-N58 PolarHBondContact O-N 2.75Å; F55-L59 HydrophobicContact CE1-CD2 3.93Å; F55-L59 HydrophobicContact CZ-CD2 4.28Å; F55-L59 VanDerWaalsContact O-CB 3.27Å; F55-L59 WeakPolarHBondContact O-CB 3.28Å; F55-L59 PolarHBondContact O-N 3.37Å; F55-F104 HydrophobicContact CD2-CZ 4.27Å; F55-F104 AromaticContact CE2-CE2 3.93Å; F55-F104 HydrophobicContact CE2-CE2 3.93Å; F55-F104 AromaticContact CE2-CZ 3.71Å; F55-F104 HydrophobicContact CE2-CZ 3.71Å; F55-F104 HydrophobicContact CZ-CZ 4.3Å
56	I	98.1	Very high	96.7	Very high	29 Å²	29	60.6 Å²	60.6	15%	0.149	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-44.3	178.7	-64.3	169.5	0	0	0	111.2	F50 D52 G53 K54 L59 R60 L72 L76	F50-I56 WeakPolarHBondContact O-CD1 3.31Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 2.83Å; G53-I56 PolarHBondContact O-N 2.99Å; K54-I56 VanDerWaalsContact C-N 3.34Å; I56-L59 PolarHBondContact O-N 2.74Å; I56-R60 WeakPolarHBondContact O-CB 3.43Å; I56-R60 PolarHBondContact O-N 2.73Å; I56-L72 HydrophobicContact CG2-CD2 4.3Å; I56-L76 HydrophobicContact CD1-CD1 4.37Å; I56-L76 HydrophobicContact CD1-CD2 4.04Å; I56-L76 HydrophobicContact CG1-CD2 4.21Å; I56-L76 HydrophobicContact CG2-CD1 3.9Å
57	D	98.3	Very high	96.9	Very high	95 Å²	95	63.2 Å²	63.2	51%	0.508	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-49.6	178.7	-69.4	-22.7	0	0	0	111	G53 K54 L59 R60 E61	G53-D57 VanDerWaalsContact O-CG 3.26Å; G53-D57 PolarHBondContact O-N 3.16Å; K54-D57 PolarHBondContact O-N 2.9Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 2.91Å; D57-R60 PolarHBondContact O-N 3.07Å; D57-R60 VanDerWaalsContact O-N 3.15Å; D57-E61 WeakPolarHBondContact O-CG 3.42Å; D57-E61 PolarHBondContact O-N 2.89Å
58	N	97.7	Very high	97	Very high	72 Å²	72	63.9 Å²	63.9	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-39.9	175.4	-71.1	-20.2	0	0	0	112	K54 F55 N62 F104	K54-N58 WeakPolarHBondContact O-CB 3.08Å; K54-N58 PolarHBondContact O-N 2.77Å; K54-N58 PolarHBondContact O-ND2 3.11Å; F55-N58 PolarHBondContact O-N 2.75Å; N58-N62 VanDerWaalsContact O-CB 3.28Å; N58-N62 WeakPolarHBondContact O-CB 3.43Å; N58-N62 PolarHBondContact O-N 3.26Å; N58-F104 HydrophobicContact CB-CE1 4.28Å
59	L	98	Very high	96.8	Very high	4 Å²	4	66 Å²	66	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-66.6	-41.5	177.9	-175.1	58.4	0	0	0	111.2	F50 F55 I56 D57 N62 L63 L72 L101 F104	F50-L59 HydrophobicContact CE1-CD2 4.14Å; F55-L59 HydrophobicContact CE1-CD2 3.93Å; F55-L59 HydrophobicContact CZ-CD2 4.28Å; F55-L59 VanDerWaalsContact O-CB 3.27Å; F55-L59 WeakPolarHBondContact O-CB 3.28Å; F55-L59 PolarHBondContact O-N 3.37Å; I56-L59 PolarHBondContact O-N 2.74Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 2.91Å; L59-N62 PolarHBondContact O-N 3.2Å; L59-L63 HydrophobicContact CD1-CD1 4.49Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CG-CD1 4.2Å; L59-L63 HydrophobicContact CG-CG 4.46Å; L59-L63 WeakPolarHBondContact O-CB 3.47Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 2.9Å; L59-L72 HydrophobicContact CD2-CD1 3.69Å; L59-L72 HydrophobicContact CG-CD1 4.27Å; L59-L72 HydrophobicContact CG-CD2 4.42Å; L59-L101 HydrophobicContact CD1-CD2 4.17Å; L59-L101 HydrophobicContact CD2-CD2 4.38Å; L59-F104 HydrophobicContact CD1-CE1 4.35Å; L59-F104 HydrophobicContact CD1-CZ 4.23Å
60	R	98.2	Very high	96.8	Very high	100 Å²	100	64.4 Å²	64.4	38%	0.377	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-45.2	176.7	-168.6	-179.4	-66.2	-103.2	-0.3	111.5	I56 D57 L63 T64 L72 D73	I56-R60 WeakPolarHBondContact O-CB 3.43Å; I56-R60 PolarHBondContact O-N 2.73Å; D57-R60 PolarHBondContact O-N 3.07Å; D57-R60 VanDerWaalsContact O-N 3.15Å; R60-L63 PolarHBondContact O-N 3.42Å; R60-T64 WeakPolarHBondContact O-CB 3.49Å; R60-T64 PolarHBondContact O-N 2.94Å; R60-T64 PolarHBondContact O-OG1 3.37Å; R60-L72 HydrophobicContact CB-CD2 3.79Å; R60-L72 HydrophobicContact CG-CD2 4.32Å; R60-D73 IonicContact CZ-OD1 3.94Å; R60-D73 IonicContact CZ-OD2 3.75Å; R60-D73 IonicContact NH1-OD1 3.6Å; R60-D73 IonicContact NH1-OD2 3.57Å; R60-D73 PolarHBondContact NH1-OD2 3.09Å; R60-D73 VanDerWaalsContact NH1-OD2 3.1Å; R60-D73 IonicContact NH2-OD1 2.64Å; R60-D73 PolarHBondContact NH2-OD1 3.41Å; R60-D73 IonicContact NH2-OD2 3.8Å
61	E	97.8	Very high	96.7	Very high	131 Å²	131	68.6 Å²	68.6	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-60.6	-45.8	174.7	-72.5	-177	-177.4	0	0	111.4	D57 T64 A65	D57-E61 WeakPolarHBondContact O-CG 3.42Å; D57-E61 PolarHBondContact O-N 2.89Å; E61-T64 PolarHBondContact O-N 3.47Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.13Å
62	N	98.3	Very high	96.8	Very high	11 Å²	11	63.7 Å²	63.7	6%	0.059	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-47.8	178	-172.3	66.5	0	0	0	111.8	N58 L59 T64 A65 R66 N103 F104 T105	N58-N62 VanDerWaalsContact O-CB 3.28Å; N58-N62 WeakPolarHBondContact O-CB 3.43Å; N58-N62 PolarHBondContact O-N 3.26Å; L59-N62 PolarHBondContact O-N 3.2Å; N62-T64 VanDerWaalsContact C-N 3.26Å; N62-T64 PolarHBondContact O-N 2.92Å; N62-A65 PolarHBondContact O-N 2.87Å; N62-R66 VanDerWaalsContact O-CB 3.28Å; N62-R66 WeakPolarHBondContact O-CB 3.4Å; N62-R66 WeakPolarHBondContact O-CG 3.37Å; N62-R66 PolarHBondContact O-N 3.27Å; N62-N103 PolarHBondContact ND2-O 2.78Å; N62-F104 HydrophobicContact CB-CD1 3.96Å; N62-F104 HydrophobicContact CB-CE1 4.23Å; N62-T105 WeakPolarHBondContact OD1-CB 3.49Å; N62-T105 PolarHBondContact OD1-N 2.79Å; N62-T105 PolarHBondContact OD1-OG1 3.12Å
63	L	98.3	Very high	96.8	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-60.4	-37.9	178.2	-69.9	174	0	0	0	111.8	L59 R60 R66 K67 S68 L70 L72 L101 P102	L59-L63 HydrophobicContact CD1-CD1 4.49Å; L59-L63 HydrophobicContact CD1-CG 4.31Å; L59-L63 HydrophobicContact CG-CD1 4.2Å; L59-L63 HydrophobicContact CG-CG 4.46Å; L59-L63 WeakPolarHBondContact O-CB 3.47Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 2.9Å; R60-L63 PolarHBondContact O-N 3.42Å; L63-R66 PolarHBondContact O-N 2.88Å; L63-K67 PolarHBondContact O-N 2.95Å; L63-K67 VanDerWaalsContact O-N 3.13Å; L63-S68 PolarHBondContact O-N 3.25Å; L63-L70 HydrophobicContact CD2-CB 4.42Å; L63-L70 HydrophobicContact CD2-CD1 4.29Å; L63-L72 HydrophobicContact CD1-CB 3.96Å; L63-L72 HydrophobicContact CD1-CD1 4.49Å; L63-L72 HydrophobicContact CD1-CD2 4.33Å; L63-L72 HydrophobicContact CD1-CG 4.49Å; L63-L101 HydrophobicContact CD1-CD2 4.48Å; L63-L101 HydrophobicContact CD2-CD2 4.13Å; L63-P102 HydrophobicContact CD2-CG 3.95Å
64	T	97.9	Very high	96.9	Very high	106 Å²	106	64.7 Å²	64.7	65%	0.65	33%	0.325	S	S	*	.	H	α-helix	trans	-65.5	-50.3	175.5	-55.6	0	0	0	0	111.1	R60 E61 N62 R66 K67	R60-T64 WeakPolarHBondContact O-CB 3.49Å; R60-T64 PolarHBondContact O-N 2.94Å; R60-T64 PolarHBondContact O-OG1 3.37Å; E61-T64 PolarHBondContact O-N 3.47Å; N62-T64 VanDerWaalsContact C-N 3.26Å; N62-T64 PolarHBondContact O-N 2.92Å; T64-R66 PolarHBondContact O-N 3.37Å; T64-K67 PolarHBondContact O-N 3.28Å
65	A	97.5	Very high	96.9	Very high	17 Å²	17	57.8 Å²	57.8	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-35.3	177.6	0	0	0	0	0	112.8	E61 N62 K67 I111 S354	E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.13Å; N62-A65 PolarHBondContact O-N 2.87Å; A65-K67 VanDerWaalsContact C-N 3.28Å; A65-I111 HydrophobicContact CB-CD1 3.96Å; A65-I111 HydrophobicContact CB-CG2 4.09Å; A65-S354 VanDerWaalsContact O-CB 3.26Å; A65-S354 WeakPolarHBondContact O-CB 3.42Å; A65-S354 PolarHBondContact O-OG 3.14Å
66	R	97	Very high	96.9	Very high	20 Å²	20	57.1 Å²	57.1	8%	0.075	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.5	179.2	-60.8	-72.3	-78.8	124.6	2.1	113	N62 L63 T64 S68 P102 T105 S354 L357 G358	N62-R66 VanDerWaalsContact O-CB 3.28Å; N62-R66 WeakPolarHBondContact O-CB 3.4Å; N62-R66 WeakPolarHBondContact O-CG 3.37Å; N62-R66 PolarHBondContact O-N 3.27Å; L63-R66 PolarHBondContact O-N 2.88Å; T64-R66 PolarHBondContact O-N 3.37Å; R66-S68 PolarHBondContact O-N 3.18Å; R66-P102 HydrophobicContact CB-CG 4.35Å; R66-P102 HydrophobicContact CG-CG 4.39Å; R66-T105 VanDerWaalsContact CD-OG1 3.27Å; R66-T105 WeakPolarHBondContact CD-OG1 3.4Å; R66-S354 WeakPolarHBondContact CD-O 3.18Å; R66-S354 PolarHBondContact NH1-O 2.72Å; R66-L357 VanDerWaalsContact NH1-CB 3.31Å; R66-L357 PolarHBondContact NH1-O 3.13Å; R66-L357 VanDerWaalsContact NH2-C 3.32Å; R66-L357 PolarHBondContact NH2-O 2.98Å; R66-G358 PolarHBondContact NH2-O 2.93Å
67	K	95.8	Very high	96.9	Very high	138 Å²	138	59.8 Å²	59.8	60%	0.6	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	41	-175.4	-164.5	172	-178.5	170.6	0	112.2	L63 T64 A65 E355	L63-K67 PolarHBondContact O-N 2.95Å; L63-K67 VanDerWaalsContact O-N 3.13Å; T64-K67 PolarHBondContact O-N 3.28Å; A65-K67 VanDerWaalsContact C-N 3.28Å; K67-E355 HydrophobicContact CB-CG 4.1Å; K67-E355 VanDerWaalsContact CD-CD 3.48Å; K67-E355 HydrophobicContact CD-CG 4.26Å; K67-E355 WeakPolarHBondContact CD-OE2 3.12Å; K67-E355 IonicContact NZ-OE1 3.48Å; K67-E355 IonicContact NZ-OE2 3.94Å; K67-E355 PolarHBondContact NZ-OE2 3.27Å
68	S	93.9	Very high	96.9	Very high	37 Å²	37	55.9 Å²	55.9	26%	0.259	29%	0.285	S	S	.	.			trans	-72.8	140.1	179.7	-177.3	0	0	0	0	110.4	L63 R66 L70	L63-S68 PolarHBondContact O-N 3.25Å; R66-S68 PolarHBondContact O-N 3.18Å; S68-L70 PolarHBondContact O-N 2.76Å; S68-L70 PolarHBondContact OG-N 3.03Å
69	N	91	Very high	96.9	Very high	151 Å²	151	53 Å²	53	81%	0.807	27%	0.269	S	S	*	.			trans	-85.8	5	173.7	-65.2	-34.7	0	0	0	112.6	N71	N69-N71 PolarHBondContact O-N 3.28Å
70	L	93.7	Very high	96.8	Very high	25 Å²	25	58 Å²	58	13%	0.131	29%	0.288	C	S	.	.			trans	-70.3	127.5	-180	-72.4	171.9	0	0	0	111.2	L63 S68 L72 L97 Q100 L101	L63-L70 HydrophobicContact CD2-CB 4.42Å; L63-L70 HydrophobicContact CD2-CD1 4.29Å; S68-L70 PolarHBondContact O-N 2.76Å; S68-L70 PolarHBondContact OG-N 3.03Å; L70-L72 PolarHBondContact O-N 3.24Å; L70-L97 HydrophobicContact CD2-CD2 4.2Å; L70-Q100 HydrophobicContact CD1-CB 3.89Å; L70-Q100 WeakPolarHBondContact CD1-O 3.18Å; L70-Q100 HydrophobicContact CD2-CB 3.74Å; L70-Q100 HydrophobicContact CG-CB 4.33Å; L70-L101 HydrophobicContact CD1-CD2 3.9Å; L70-L101 HydrophobicContact CD1-CG 4.45Å
71	N	95.8	Very high	96.8	Very high	96 Å²	96	56.7 Å²	56.7	51%	0.513	29%	0.288	S	S	.	.			trans	-83.2	95.2	174.4	-173.6	-20.4	0	0	0	109.7	N69 D73 H74 M75	N69-N71 PolarHBondContact O-N 3.28Å; N71-D73 VanDerWaalsContact C-N 3.29Å; N71-D73 PolarHBondContact O-N 3.26Å; N71-D73 PolarHBondContact OD1-N 2.67Å; N71-D73 VanDerWaalsContact OD1-N 3.14Å; N71-H74 HydrophobicContact CB-CB 3.97Å; N71-H74 PolarHBondContact O-N 3.42Å; N71-H74 PolarHBondContact OD1-N 3.24Å; N71-M75 WeakPolarHBondContact O-CG 3.4Å; N71-M75 PolarHBondContact O-N 2.63Å; N71-M75 VanDerWaalsContact O-N 3.13Å
72	L	97.3	Very high	96.7	Very high	8 Å²	8	53 Å²	53	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-37.4	178.7	180	59.1	0	0	0	112.2	I56 L59 R60 L63 L70 H74 M75 L76	I56-L72 HydrophobicContact CG2-CD2 4.3Å; L59-L72 HydrophobicContact CD2-CD1 3.69Å; L59-L72 HydrophobicContact CG-CD1 4.27Å; L59-L72 HydrophobicContact CG-CD2 4.42Å; R60-L72 HydrophobicContact CB-CD2 3.79Å; R60-L72 HydrophobicContact CG-CD2 4.32Å; L63-L72 HydrophobicContact CD1-CB 3.96Å; L63-L72 HydrophobicContact CD1-CD1 4.49Å; L63-L72 HydrophobicContact CD1-CD2 4.33Å; L63-L72 HydrophobicContact CD1-CG 4.49Å; L70-L72 PolarHBondContact O-N 3.24Å; L72-H74 PolarHBondContact O-N 2.95Å; L72-M75 WeakPolarHBondContact O-CB 3.16Å; L72-M75 PolarHBondContact O-N 2.98Å; L72-M75 VanDerWaalsContact O-N 3.16Å; L72-L76 HydrophobicContact CD1-CG 4.25Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 HydrophobicContact CG-CG 4.38Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 2.88Å
73	D	97.7	Very high	96.6	Very high	71 Å²	71	55 Å²	55	38%	0.38	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-40.9	-179.1	-66.8	-48.5	0	0	0	111.2	R60 N71 M75 L76 D77	R60-D73 IonicContact CZ-OD1 3.94Å; R60-D73 IonicContact CZ-OD2 3.75Å; R60-D73 IonicContact NH1-OD1 3.6Å; R60-D73 IonicContact NH1-OD2 3.57Å; R60-D73 PolarHBondContact NH1-OD2 3.09Å; R60-D73 VanDerWaalsContact NH1-OD2 3.1Å; R60-D73 IonicContact NH2-OD1 2.64Å; R60-D73 PolarHBondContact NH2-OD1 3.41Å; R60-D73 IonicContact NH2-OD2 3.8Å; N71-D73 VanDerWaalsContact C-N 3.29Å; N71-D73 PolarHBondContact O-N 3.26Å; N71-D73 PolarHBondContact OD1-N 2.67Å; N71-D73 VanDerWaalsContact OD1-N 3.14Å; D73-M75 PolarHBondContact O-N 3.21Å; D73-L76 PolarHBondContact O-N 3.42Å; D73-D77 PolarHBondContact O-N 3Å
74	H	97.8	Very high	96.5	Very high	70 Å²	70	62.7 Å²	62.7	32%	0.324	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-42.9	170.8	-177	56.3	0	0	0	112.1	N71 L72 L76 D77 L78 E93	N71-H74 HydrophobicContact CB-CB 3.97Å; N71-H74 PolarHBondContact O-N 3.42Å; N71-H74 PolarHBondContact OD1-N 3.24Å; L72-H74 PolarHBondContact O-N 2.95Å; H74-L76 VanDerWaalsContact C-N 3.32Å; H74-L76 PolarHBondContact O-N 3.4Å; H74-D77 PolarHBondContact O-N 2.98Å; H74-L78 WeakPolarHBondContact O-CG 3.41Å; H74-L78 PolarHBondContact O-N 3.41Å; H74-E93 IonicContact CE1-OE1 3.48Å; H74-E93 IonicContact NE2-OE1 2.79Å; H74-E93 PolarHBondContact NE2-OE1 2.9Å
75	M	96.9	Very high	96.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-42.6	175.6	-67.8	178.2	64.9	0	0	112	F50 N71 L72 D73 L78 Y79 L94 L97 V98 L101	F50-M75 HydrophobicContact CZ-CE 4.11Å; N71-M75 WeakPolarHBondContact O-CG 3.4Å; N71-M75 PolarHBondContact O-N 2.63Å; N71-M75 VanDerWaalsContact O-N 3.13Å; L72-M75 WeakPolarHBondContact O-CB 3.16Å; L72-M75 PolarHBondContact O-N 2.98Å; L72-M75 VanDerWaalsContact O-N 3.16Å; D73-M75 PolarHBondContact O-N 3.21Å; M75-L78 PolarHBondContact O-N 2.89Å; M75-Y79 PolarHBondContact O-N 3.05Å; M75-L94 HydrophobicContact CB-CD1 4.38Å; M75-L94 WeakPolarHBondContact O-CD1 3.23Å; M75-L97 HydrophobicContact CE-CB 3.97Å; M75-L97 HydrophobicContact CG-CB 3.68Å; M75-L97 HydrophobicContact CG-CD1 3.54Å; M75-L97 HydrophobicContact CG-CG 4.21Å; M75-L97 HydrophobicContact SD-CB 3.86Å; M75-V98 HydrophobicContact CE-CG2 3.86Å; M75-L101 HydrophobicContact CE-CD1 4Å; M75-L101 HydrophobicContact CE-CD2 4.01Å; M75-L101 HydrophobicContact CE-CG 4.01Å; M75-L101 HydrophobicContact SD-CD2 4.16Å
76	L	98.1	Very high	96.2	Very high	9 Å²	9	65.5 Å²	65.5	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-35.4	178	-64.9	173.8	0	0	0	111.9	F50 I56 L72 D73 H74 Y79 R80	F50-L76 HydrophobicContact CB-CD2 3.99Å; F50-L76 HydrophobicContact CD1-CD2 3.78Å; F50-L76 HydrophobicContact CE1-CD2 4.48Å; F50-L76 HydrophobicContact CG-CD2 3.98Å; I56-L76 HydrophobicContact CD1-CD1 4.37Å; I56-L76 HydrophobicContact CD1-CD2 4.04Å; I56-L76 HydrophobicContact CG1-CD2 4.21Å; I56-L76 HydrophobicContact CG2-CD1 3.9Å; L72-L76 HydrophobicContact CD1-CG 4.25Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 HydrophobicContact CG-CG 4.38Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 2.88Å; D73-L76 PolarHBondContact O-N 3.42Å; H74-L76 VanDerWaalsContact C-N 3.32Å; H74-L76 PolarHBondContact O-N 3.4Å; L76-Y79 PolarHBondContact O-N 3.13Å; L76-R80 WeakPolarHBondContact O-CG 3.14Å; L76-R80 PolarHBondContact O-N 2.84Å
77	D	98	Very high	96.1	Very high	85 Å²	85	69.4 Å²	69.4	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-45.2	172.4	-81.5	-35.4	0	0	0	112.1	D73 H74 Y79 R80 N81	D73-D77 PolarHBondContact O-N 3Å; H74-D77 PolarHBondContact O-N 2.98Å; D77-Y79 VanDerWaalsContact C-N 3.3Å; D77-Y79 PolarHBondContact O-N 3.42Å; D77-R80 PolarHBondContact O-N 3.5Å; D77-R80 IonicContact OD1-CZ 3.4Å; D77-R80 IonicContact OD1-NE 3.39Å; D77-R80 PolarHBondContact OD1-NE 3.48Å; D77-R80 IonicContact OD1-NH2 2.61Å; D77-R80 PolarHBondContact OD1-NH2 3.17Å; D77-N81 WeakPolarHBondContact O-CB 3.49Å; D77-N81 PolarHBondContact O-N 3.25Å
78	L	97.7	Very high	95.9	Very high	13 Å²	13	67.5 Å²	67.5	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-42.5	173.4	-70.5	176.3	0	0	0	111.3	H74 M75 N81 Y82 T90 E93 L94 L97	H74-L78 WeakPolarHBondContact O-CG 3.41Å; H74-L78 PolarHBondContact O-N 3.41Å; M75-L78 PolarHBondContact O-N 2.89Å; L78-N81 PolarHBondContact O-N 3.31Å; L78-Y82 VanDerWaalsContact O-CB 3.27Å; L78-Y82 WeakPolarHBondContact O-CB 3.25Å; L78-Y82 PolarHBondContact O-N 2.85Å; L78-T90 HydrophobicContact CB-CG2 4.37Å; L78-T90 HydrophobicContact CD2-CG2 3.97Å; L78-T90 WeakPolarHBondContact O-CG2 3.27Å; L78-E93 HydrophobicContact CD1-CB 4.19Å; L78-E93 HydrophobicContact CD1-CG 3.79Å; L78-L94 HydrophobicContact CB-CB 4.16Å; L78-L94 HydrophobicContact CB-CD1 4.19Å; L78-L94 HydrophobicContact CD1-CB 4.4Å; L78-L97 HydrophobicContact CD1-CD1 3.66Å
79	Y	97.5	Very high	95.9	Very high	12 Å²	12	72.2 Å²	72.2	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-47.2	175.9	175.4	-108.7	0	0	0	112.3	L47 D48 F50 N51 M75 L76 D77 N81 Y82 T83 L94	L47-Y79 HydrophobicContact CB-CD2 4.17Å; L47-Y79 HydrophobicContact CB-CE2 3.76Å; L47-Y79 VanDerWaalsContact O-CE2 3.3Å; L47-Y79 WeakPolarHBondContact O-CE2 3.35Å; D48-Y79 PolarHBondContact OD1-OH 3.44Å; F50-Y79 HydrophobicContact CB-CD1 3.59Å; F50-Y79 HydrophobicContact CB-CD2 4.45Å; F50-Y79 HydrophobicContact CB-CE1 3.77Å; F50-Y79 HydrophobicContact CB-CG 3.96Å; F50-Y79 HydrophobicContact CD2-CD1 4.34Å; F50-Y79 AromaticContact CD2-CD2 3.94Å; F50-Y79 HydrophobicContact CD2-CD2 3.94Å; F50-Y79 AromaticContact CD2-CG 3.81Å; F50-Y79 HydrophobicContact CD2-CG 3.81Å; F50-Y79 HydrophobicContact CG-CD1 4.44Å; F50-Y79 HydrophobicContact CG-CG 4.35Å; N51-Y79 PolarHBondContact ND2-OH 2.72Å; M75-Y79 PolarHBondContact O-N 3.05Å; L76-Y79 PolarHBondContact O-N 3.13Å; D77-Y79 VanDerWaalsContact C-N 3.3Å; D77-Y79 PolarHBondContact O-N 3.42Å; Y79-N81 VanDerWaalsContact C-N 3.3Å; Y79-N81 PolarHBondContact O-N 3.33Å; Y79-Y82 PolarHBondContact O-N 3.41Å; Y79-T83 HydrophobicContact CD1-CG2 4.48Å; Y79-T83 HydrophobicContact CD2-CG2 4.09Å; Y79-T83 HydrophobicContact CE1-CG2 4.03Å; Y79-T83 HydrophobicContact CE2-CG2 3.6Å; Y79-T83 WeakPolarHBondContact O-CG2 3.41Å; Y79-T83 PolarHBondContact O-N 2.8Å; Y79-T83 PolarHBondContact O-OG1 2.89Å; Y79-L94 HydrophobicContact CD2-CD2 4.18Å
80	R	97.2	Very high	96.1	Very high	110 Å²	110	65.7 Å²	65.7	42%	0.415	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-38.3	175	-75.7	-174.3	-72	-91.8	6.5	112.5	L76 D77 T83 K84	L76-R80 WeakPolarHBondContact O-CG 3.14Å; L76-R80 PolarHBondContact O-N 2.84Å; D77-R80 PolarHBondContact O-N 3.5Å; D77-R80 IonicContact OD1-CZ 3.4Å; D77-R80 IonicContact OD1-NE 3.39Å; D77-R80 PolarHBondContact OD1-NE 3.48Å; D77-R80 IonicContact OD1-NH2 2.61Å; D77-R80 PolarHBondContact OD1-NH2 3.17Å; R80-T83 WeakPolarHBondContact CA-OG1 3.43Å; R80-T83 PolarHBondContact O-OG1 3.2Å; R80-K84 VanDerWaalsContact O-CG 3.31Å; R80-K84 WeakPolarHBondContact O-CG 3.35Å; R80-K84 PolarHBondContact O-N 3.24Å
81	N	97.3	Very high	96	Very high	72 Å²	72	66.9 Å²	66.9	39%	0.385	33%	0.327	S	S	.	.	H	α-helix	trans	-69.5	-45.9	177.5	-172.4	7.5	0	0	0	110.7	D77 L78 Y79 T83 K84 T85 T90	D77-N81 WeakPolarHBondContact O-CB 3.49Å; D77-N81 PolarHBondContact O-N 3.25Å; L78-N81 PolarHBondContact O-N 3.31Å; Y79-N81 VanDerWaalsContact C-N 3.3Å; Y79-N81 PolarHBondContact O-N 3.33Å; N81-T83 PolarHBondContact O-N 3.07Å; N81-K84 PolarHBondContact O-N 3.21Å; N81-T85 WeakPolarHBondContact O-CB 3.47Å; N81-T85 PolarHBondContact O-N 2.99Å; N81-T85 PolarHBondContact O-OG1 3.23Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.36Å; N81-T85 PolarHBondContact OD1-OG1 3.36Å; N81-T90 HydrophobicContact CB-CG2 4.08Å
82	Y	96.3	Very high	95.8	Very high	52 Å²	52	65.8 Å²	65.8	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-42.1	177.3	171.9	-116.7	0	0	0	112.1	L47 L78 Y79 K84 K86 H91	L47-Y82 HydrophobicContact CD1-CE1 4.23Å; L78-Y82 VanDerWaalsContact O-CB 3.27Å; L78-Y82 WeakPolarHBondContact O-CB 3.25Å; L78-Y82 PolarHBondContact O-N 2.85Å; Y79-Y82 PolarHBondContact O-N 3.41Å; Y82-K84 PolarHBondContact O-N 3.39Å; Y82-K86 HydrophobicContact CE2-CD 4.3Å; Y82-K86 VanDerWaalsContact O-CA 3.25Å; Y82-K86 WeakPolarHBondContact O-CA 3.49Å; Y82-K86 WeakPolarHBondContact O-CD 3.48Å; Y82-K86 PolarHBondContact O-N 3.19Å; Y82-H91 HydrophobicContact CD2-CB 3.76Å; Y82-H91 AromaticContact CE1-CD2 3.78Å; Y82-H91 HydrophobicContact CE2-CB 3.66Å; Y82-H91 AromaticContact CE2-CD2 3.99Å; Y82-H91 HydrophobicContact CG-CB 4.37Å; Y82-H91 AromaticContact CZ-CD2 3.56Å
83	T	95.4	Very high	95.6	Very high	54 Å²	54	69.7 Å²	69.7	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-32.4	177.8	48.6	0	0	0	0	112.5	Y79 R80 N81 K86	Y79-T83 HydrophobicContact CD1-CG2 4.48Å; Y79-T83 HydrophobicContact CD2-CG2 4.09Å; Y79-T83 HydrophobicContact CE1-CG2 4.03Å; Y79-T83 HydrophobicContact CE2-CG2 3.6Å; Y79-T83 WeakPolarHBondContact O-CG2 3.41Å; Y79-T83 PolarHBondContact O-N 2.8Å; Y79-T83 PolarHBondContact O-OG1 2.89Å; R80-T83 WeakPolarHBondContact CA-OG1 3.43Å; R80-T83 PolarHBondContact O-OG1 3.2Å; N81-T83 PolarHBondContact O-N 3.07Å; T83-K86 WeakPolarHBondContact O-CE 3.31Å
84	K	95.9	Very high	95.4	Very high	171 Å²	171	66.3 Å²	66.3	74%	0.743	32%	0.321	S	S	*	.	H	α-helix	trans	-80.5	-46.6	176.6	-68.7	173.5	-176	179.4	0	113.8	R80 N81 Y82	R80-K84 VanDerWaalsContact O-CG 3.31Å; R80-K84 WeakPolarHBondContact O-CG 3.35Å; R80-K84 PolarHBondContact O-N 3.24Å; N81-K84 PolarHBondContact O-N 3.21Å; Y82-K84 PolarHBondContact O-N 3.39Å
85	T	95.2	Very high	95.1	Very high	52 Å²	52	63.6 Å²	63.6	32%	0.319	31%	0.309	S	S	.	.	H	α-helix	trans	-96.8	-27.2	-169.2	60.1	0	0	0	0	113.4	N81 H87	N81-T85 WeakPolarHBondContact O-CB 3.47Å; N81-T85 PolarHBondContact O-N 2.99Å; N81-T85 PolarHBondContact O-OG1 3.23Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.36Å; N81-T85 PolarHBondContact OD1-OG1 3.36Å; T85-H87 PolarHBondContact O-CD2 2.65Å; T85-H87 VanDerWaalsContact O-CD2 3.26Å; T85-H87 PolarHBondContact O-N 3.38Å; T85-H87 PolarHBondContact OG1-N 3.49Å
86	K	93.9	Very high	94.7	Very high	129 Å²	129	66.7 Å²	66.7	56%	0.561	33%	0.33	S	S	*	.			trans	55.3	23.8	-171.1	-56.8	-65.6	178.4	-177.5	0	114	Y82 T83	Y82-K86 HydrophobicContact CE2-CD 4.3Å; Y82-K86 VanDerWaalsContact O-CA 3.25Å; Y82-K86 WeakPolarHBondContact O-CA 3.49Å; Y82-K86 WeakPolarHBondContact O-CD 3.48Å; Y82-K86 PolarHBondContact O-N 3.19Å; T83-K86 WeakPolarHBondContact O-CE 3.31Å
87	H	95.4	Very high	94.4	Very high	103 Å²	103	67.7 Å²	67.7	48%	0.477	34%	0.335	S	S	.	.			trans	-68.2	137.9	178.5	-71.2	-172.1	0	0	0	112	T85 H91	T85-H87 PolarHBondContact O-CD2 2.65Å; T85-H87 VanDerWaalsContact O-CD2 3.26Å; T85-H87 PolarHBondContact O-N 3.38Å; T85-H87 PolarHBondContact OG1-N 3.49Å; H87-H91 PolarHBondContact O-N 2.82Å
88	T	92.5	Very high	94.2	Very high	97 Å²	97	63.7 Å²	63.7	60%	0.595	31%	0.314	S	S	*	.	H	α-helix	trans	-70.4	-36.4	-177.5	43.9	0	0	0	0	112.9	H91 D92	T88-H91 PolarHBondContact O-N 3.44Å; T88-D92 PolarHBondContact O-N 3.39Å
89	E	93.6	Very high	93.8	Very high	136 Å²	136	64.2 Å²	64.2	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-65	-43.2	178.1	-59.5	91.5	179.9	0	0	111.5	H91 D92 E93	E89-H91 VanDerWaalsContact C-N 3.3Å; E89-H91 PolarHBondContact O-N 2.64Å; E89-D92 PolarHBondContact O-N 3.01Å; E89-E93 WeakPolarHBondContact O-CB 3.11Å; E89-E93 PolarHBondContact O-N 3.49Å
90	T	94.4	Very high	93.4	Very high	15 Å²	15	68.4 Å²	68.4	9%	0.092	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-41.4	176.6	-48.7	0	0	0	0	111.4	L78 N81 L94	L78-T90 HydrophobicContact CB-CG2 4.37Å; L78-T90 HydrophobicContact CD2-CG2 3.97Å; L78-T90 WeakPolarHBondContact O-CG2 3.27Å; N81-T90 HydrophobicContact CB-CG2 4.08Å; T90-L94 WeakPolarHBondContact O-CB 3.39Å; T90-L94 PolarHBondContact O-N 3.36Å
91	H	92.2	Very high	93.3	Very high	50 Å²	50	63.8 Å²	63.8	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-46.6	175.5	175.1	-88.8	0	0	0	112.1	Y82 H87 T88 E89 E93 L94 M95	Y82-H91 HydrophobicContact CD2-CB 3.76Å; Y82-H91 AromaticContact CE1-CD2 3.78Å; Y82-H91 HydrophobicContact CE2-CB 3.66Å; Y82-H91 AromaticContact CE2-CD2 3.99Å; Y82-H91 HydrophobicContact CG-CB 4.37Å; Y82-H91 AromaticContact CZ-CD2 3.56Å; H87-H91 PolarHBondContact O-N 2.82Å; T88-H91 PolarHBondContact O-N 3.44Å; E89-H91 VanDerWaalsContact C-N 3.3Å; E89-H91 PolarHBondContact O-N 2.64Å; H91-E93 VanDerWaalsContact C-N 3.34Å; H91-E93 PolarHBondContact O-N 3.43Å; H91-L94 PolarHBondContact O-N 2.86Å; H91-M95 WeakPolarHBondContact O-CB 3.04Å; H91-M95 WeakPolarHBondContact O-CG 3.49Å; H91-M95 PolarHBondContact O-N 3.35Å
92	D	90.9	Very high	93.2	Very high	72 Å²	72	60.9 Å²	60.9	39%	0.385	31%	0.307	S	S	.	.	H	α-helix	trans	-67.2	-36	-178.2	-78.2	-7.3	0	0	0	111.6	K39 T88 E89 S96	K39-D92 IonicContact NZ-OD1 2.7Å; K39-D92 IonicContact NZ-OD2 2.68Å; T88-D92 PolarHBondContact O-N 3.39Å; E89-D92 PolarHBondContact O-N 3.01Å; D92-S96 WeakPolarHBondContact O-CB 3.18Å; D92-S96 PolarHBondContact O-N 3.29Å
93	E	93.6	Very high	93.2	Very high	91 Å²	91	59 Å²	59	43%	0.425	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-47.8	171.3	-168.1	-175	161.1	0	0	111.5	H74 L78 E89 H91 M95 S96 L97	H74-E93 IonicContact CE1-OE1 3.48Å; H74-E93 IonicContact NE2-OE1 2.79Å; H74-E93 PolarHBondContact NE2-OE1 2.9Å; L78-E93 HydrophobicContact CD1-CB 4.19Å; L78-E93 HydrophobicContact CD1-CG 3.79Å; E89-E93 WeakPolarHBondContact O-CB 3.11Å; E89-E93 PolarHBondContact O-N 3.49Å; H91-E93 VanDerWaalsContact C-N 3.34Å; H91-E93 PolarHBondContact O-N 3.43Å; E93-M95 VanDerWaalsContact C-N 3.35Å; E93-M95 PolarHBondContact O-N 2.7Å; E93-S96 VanDerWaalsContact O-CB 3.31Å; E93-S96 WeakPolarHBondContact O-CB 3.44Å; E93-S96 PolarHBondContact O-N 3.11Å; E93-S96 VanDerWaalsContact O-N 3.17Å; E93-L97 PolarHBondContact O-N 3.12Å; E93-L97 VanDerWaalsContact O-N 3.12Å
94	L	94.1	Very high	93.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-49.4	176.5	176.1	59.2	0	0	0	111.1	L47 F50 M75 L78 Y79 T90 H91 S96 L97 V98	L47-L94 HydrophobicContact CD1-CD2 4.31Å; L47-L94 HydrophobicContact CD2-CD2 3.86Å; L47-L94 HydrophobicContact CD2-CG 4.3Å; F50-L94 HydrophobicContact CE2-CD1 4.13Å; M75-L94 HydrophobicContact CB-CD1 4.38Å; M75-L94 WeakPolarHBondContact O-CD1 3.23Å; L78-L94 HydrophobicContact CB-CB 4.16Å; L78-L94 HydrophobicContact CB-CD1 4.19Å; L78-L94 HydrophobicContact CD1-CB 4.4Å; Y79-L94 HydrophobicContact CD2-CD2 4.18Å; T90-L94 WeakPolarHBondContact O-CB 3.39Å; T90-L94 PolarHBondContact O-N 3.36Å; H91-L94 PolarHBondContact O-N 2.86Å; L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 2.97Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.11Å; L94-V98 HydrophobicContact CD1-CG2 4.34Å; L94-V98 HydrophobicContact CG-CG2 4.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 2.81Å
95	M	90.5	Very high	93.4	Very high	13 Å²	13	53 Å²	53	6%	0.064	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-31.6	179.9	-70.2	-52.8	-61.3	0	0	112.5	L47 H91 E93 L97 V98 C99	L47-M95 HydrophobicContact CD2-SD 4.17Å; H91-M95 WeakPolarHBondContact O-CB 3.04Å; H91-M95 WeakPolarHBondContact O-CG 3.49Å; H91-M95 PolarHBondContact O-N 3.35Å; E93-M95 VanDerWaalsContact C-N 3.35Å; E93-M95 PolarHBondContact O-N 2.7Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 2.92Å; M95-V98 HydrophobicContact CE-CB 4.5Å; M95-V98 HydrophobicContact CE-CG1 4.25Å; M95-V98 PolarHBondContact O-N 3.19Å; M95-V98 HydrophobicContact SD-CB 4.46Å; M95-V98 HydrophobicContact SD-CG2 4.45Å; M95-C99 WeakPolarHBondContact O-CB 3.45Å; M95-C99 PolarHBondContact O-N 3.49Å; M95-C99 PolarHBondContact O-SG 3.06Å
96	S	89.5	Confident	93.5	Very high	65 Å²	65	51.6 Å²	51.6	46%	0.455	26%	0.262	S	S	.	.	H	α-helix	trans	-61.7	-38.9	171.9	-173.6	0	0	0	0	112.2	D92 E93 L94 Q100	D92-S96 WeakPolarHBondContact O-CB 3.18Å; D92-S96 PolarHBondContact O-N 3.29Å; E93-S96 VanDerWaalsContact O-CB 3.31Å; E93-S96 WeakPolarHBondContact O-CB 3.44Å; E93-S96 PolarHBondContact O-N 3.11Å; E93-S96 VanDerWaalsContact O-N 3.17Å; L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 2.97Å; S96-Q100 PolarHBondContact O-NE2 3.39Å
97	L	92.1	Very high	93.6	Very high	29 Å²	29	50.8 Å²	50.8	15%	0.152	27%	0.27	C	S	.	.	H	α-helix	trans	-73.9	-41.2	174.4	-63.3	174.8	0	0	0	112.1	L70 M75 L78 E93 L94 M95 C99 Q100 L101	L70-L97 HydrophobicContact CD2-CD2 4.2Å; M75-L97 HydrophobicContact CE-CB 3.97Å; M75-L97 HydrophobicContact CG-CB 3.68Å; M75-L97 HydrophobicContact CG-CD1 3.54Å; M75-L97 HydrophobicContact CG-CG 4.21Å; M75-L97 HydrophobicContact SD-CB 3.86Å; L78-L97 HydrophobicContact CD1-CD1 3.66Å; E93-L97 PolarHBondContact O-N 3.12Å; E93-L97 VanDerWaalsContact O-N 3.12Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L97 VanDerWaalsContact O-N 3.11Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 2.92Å; L97-C99 PolarHBondContact O-N 3.49Å; L97-Q100 WeakPolarHBondContact O-CB 3.22Å; L97-Q100 PolarHBondContact O-N 3.46Å; L97-L101 PolarHBondContact O-N 2.93Å
98	V	92.5	Very high	93.4	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-38.9	174.1	169.7	0	0	0	0	111.2	P43 F45 L47 F50 M75 L94 M95 Q100 L101	P43-V98 HydrophobicContact CG-CG1 4.18Å; F45-V98 HydrophobicContact CB-CG1 3.66Å; F45-V98 HydrophobicContact CD1-CG1 3.98Å; F45-V98 HydrophobicContact CD1-CG2 4.37Å; F45-V98 HydrophobicContact CD2-CG1 3.77Å; F45-V98 HydrophobicContact CE2-CG1 4.42Å; F45-V98 HydrophobicContact CG-CG1 3.51Å; L47-V98 HydrophobicContact CD2-CG2 4.48Å; F50-V98 HydrophobicContact CE2-CG2 4.29Å; F50-V98 HydrophobicContact CZ-CG2 4.22Å; M75-V98 HydrophobicContact CE-CG2 3.86Å; L94-V98 HydrophobicContact CD1-CG2 4.34Å; L94-V98 HydrophobicContact CG-CG2 4.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 2.81Å; M95-V98 HydrophobicContact CE-CB 4.5Å; M95-V98 HydrophobicContact CE-CG1 4.25Å; M95-V98 PolarHBondContact O-N 3.19Å; M95-V98 HydrophobicContact SD-CB 4.46Å; M95-V98 HydrophobicContact SD-CG2 4.45Å; V98-Q100 PolarHBondContact O-N 3.06Å; V98-Q100 VanDerWaalsContact O-N 3.16Å; V98-L101 HydrophobicContact CG1-CD1 4.42Å; V98-L101 WeakPolarHBondContact O-CB 3.39Å; V98-L101 PolarHBondContact O-N 3.39Å; V98-L101 VanDerWaalsContact O-N 3.12Å
99	C	89.2	Confident	93.7	Very high	24 Å²	24	46.7 Å²	46.7	16%	0.162	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.8	176.4	-74.2	0	0	0	0	113.7	P43 M95 L97 R393	P43-C99 WeakPolarHBondContact CD-SG 3.28Å; M95-C99 WeakPolarHBondContact O-CB 3.45Å; M95-C99 PolarHBondContact O-N 3.49Å; M95-C99 PolarHBondContact O-SG 3.06Å; L97-C99 PolarHBondContact O-N 3.49Å; C99-R393 PolarHBondContact O-NH2 3.26Å
100	Q	90.4	Very high	93.9	Very high	99 Å²	99	41.2 Å²	41.2	46%	0.463	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.3	-178.6	-65	170.9	66	0	0	112.8	L70 S96 L97 V98	L70-Q100 HydrophobicContact CD1-CB 3.89Å; L70-Q100 WeakPolarHBondContact CD1-O 3.18Å; L70-Q100 HydrophobicContact CD2-CB 3.74Å; L70-Q100 HydrophobicContact CG-CB 4.33Å; S96-Q100 PolarHBondContact O-NE2 3.39Å; L97-Q100 WeakPolarHBondContact O-CB 3.22Å; L97-Q100 PolarHBondContact O-N 3.46Å; V98-Q100 PolarHBondContact O-N 3.06Å; V98-Q100 VanDerWaalsContact O-N 3.16Å
101	L	94.3	Very high	94.1	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.068	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-57.6	126.2	178.4	-72	174.8	0	0	0	109.9	F45 L59 L63 L70 M75 L97 V98	F45-L101 HydrophobicContact CE2-CD1 3.93Å; F45-L101 HydrophobicContact CZ-CD1 4.31Å; L59-L101 HydrophobicContact CD1-CD2 4.17Å; L59-L101 HydrophobicContact CD2-CD2 4.38Å; L63-L101 HydrophobicContact CD1-CD2 4.48Å; L63-L101 HydrophobicContact CD2-CD2 4.13Å; L70-L101 HydrophobicContact CD1-CD2 3.9Å; L70-L101 HydrophobicContact CD1-CG 4.45Å; M75-L101 HydrophobicContact CE-CD1 4Å; M75-L101 HydrophobicContact CE-CD2 4.01Å; M75-L101 HydrophobicContact CE-CG 4.01Å; M75-L101 HydrophobicContact SD-CD2 4.16Å; L97-L101 PolarHBondContact O-N 2.93Å; V98-L101 HydrophobicContact CG1-CD1 4.42Å; V98-L101 WeakPolarHBondContact O-CB 3.39Å; V98-L101 PolarHBondContact O-N 3.39Å; V98-L101 VanDerWaalsContact O-N 3.12Å
102	P	95.2	Very high	94.3	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.071	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-68.7	160.7	169.4	31.8	-34.6	0	0	0	109.2	L63 R66 D359	L63-P102 HydrophobicContact CD2-CG 3.95Å; R66-P102 HydrophobicContact CB-CG 4.35Å; R66-P102 HydrophobicContact CG-CG 4.39Å; P102-D359 CarbonylContact C-O 3.53Å
103	N	96.2	Very high	94.6	Very high	14 Å²	14	43.8 Å²	43.8	8%	0.075	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.7	159.1	168.6	-153.6	-9.1	0	0	0	110.7	N62 D359 S360 C386 Y389	N62-N103 PolarHBondContact ND2-O 2.78Å; N103-D359 WeakPolarHBondContact CB-O 3.22Å; N103-D359 PolarHBondContact N-O 3.36Å; N103-S360 PolarHBondContact ND2-O 3.03Å; N103-C386 PolarHBondContact ND2-O 2.96Å; N103-Y389 HydrophobicContact CB-CD2 3.92Å
104	F	97.6	Very high	94.6	Very high	77 Å²	77	42.8 Å²	42.8	34%	0.338	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-63.4	155.9	168.7	-79	-75.3	0	0	0	110.5	F55 N58 L59 N62 Y362	F55-F104 HydrophobicContact CD2-CZ 4.27Å; F55-F104 AromaticContact CE2-CE2 3.93Å; F55-F104 HydrophobicContact CE2-CE2 3.93Å; F55-F104 AromaticContact CE2-CZ 3.71Å; F55-F104 HydrophobicContact CE2-CZ 3.71Å; F55-F104 HydrophobicContact CZ-CZ 4.3Å; N58-F104 HydrophobicContact CB-CE1 4.28Å; L59-F104 HydrophobicContact CD1-CE1 4.35Å; L59-F104 HydrophobicContact CD1-CZ 4.23Å; N62-F104 HydrophobicContact CB-CD1 3.96Å; N62-F104 HydrophobicContact CB-CE1 4.23Å; F104-Y362 VanDerWaalsContact O-CA 3.28Å; F104-Y362 WeakPolarHBondContact O-CA 3.45Å; F104-Y362 VanDerWaalsContact O-CD2 3.22Å; F104-Y362 WeakPolarHBondContact O-CD2 3.44Å
105	T	98.3	Very high	94.8	Very high	22 Å²	22	47 Å²	47	14%	0.135	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-96.5	134.6	179.1	-54.4	0	0	0	0	109.9	N62 R66 T109 L357	N62-T105 WeakPolarHBondContact OD1-CB 3.49Å; N62-T105 PolarHBondContact OD1-N 2.79Å; N62-T105 PolarHBondContact OD1-OG1 3.12Å; R66-T105 VanDerWaalsContact CD-OG1 3.27Å; R66-T105 WeakPolarHBondContact CD-OG1 3.4Å; T105-T109 HydrophobicContact CG2-CG2 3.66Å; T105-L357 HydrophobicContact CG2-CD1 4.04Å
106	H	97.6	Very high	95.1	Very high	21 Å²	21	51.9 Å²	51.9	10%	0.097	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.3	134.2	174.4	-177	-69.7	0	0	0	111.1	L108 T109 Y362 R363	H106-L108 WeakPolarHBondContact ND1-CB 3.31Å; H106-L108 PolarHBondContact ND1-N 3.02Å; H106-L108 PolarHBondContact O-N 3.33Å; H106-L108 VanDerWaalsContact O-N 3.08Å; H106-T109 WeakPolarHBondContact O-CB 3.29Å; H106-T109 PolarHBondContact O-N 3.4Å; H106-T109 PolarHBondContact O-OG1 3.22Å; H106-Y362 VanDerWaalsContact CA-CE2 3.41Å; H106-Y362 HydrophobicContact CB-CD1 4.07Å; H106-Y362 HydrophobicContact CB-CD2 4.27Å; H106-Y362 HydrophobicContact CB-CE1 3.75Å; H106-Y362 HydrophobicContact CB-CE2 3.9Å; H106-Y362 HydrophobicContact CB-CG 4.32Å; H106-Y362 WeakPolarHBondContact CB-O 3.43Å; H106-Y362 AromaticContact CD2-CE1 3.28Å; H106-Y362 WeakPolarHBondContact CD2-CE1 3.38Å; H106-Y362 AromaticContact CD2-CZ 3.52Å; H106-Y362 PolarHBondContact CD2-OH 2.88Å; H106-Y362 AromaticContact CG-CE1 3.85Å; H106-Y362 AromaticContact CG-CZ 3.8Å; H106-Y362 PolarHBondContact N-O 3.28Å; H106-R363 HydrophobicContact CB-CB 3.9Å; H106-R363 HydrophobicContact CB-CG 4.23Å
107	P	95.2	Very high	95.5	Very high	113 Å²	113	49.9 Å²	49.9	73%	0.734	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.7	-175.4	-28.8	35.2	0	0	0	115.6	Y362	P107-Y362 WeakPolarHBondContact CD-OH 3.42Å
108	L	92	Very high	95.8	Very high	108 Å²	108	53.8 Å²	53.8	57%	0.565	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.1	176.3	-58.5	178.9	0	0	0	115.2	H106 R118	H106-L108 WeakPolarHBondContact ND1-CB 3.31Å; H106-L108 PolarHBondContact ND1-N 3.02Å; H106-L108 PolarHBondContact O-N 3.33Å; H106-L108 VanDerWaalsContact O-N 3.08Å; L108-R118 PolarHBondContact O-NH1 2.75Å; L108-R118 VanDerWaalsContact O-NH1 3.17Å; L108-R118 PolarHBondContact O-NH2 3.46Å
109	T	97.7	Very high	96	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.031	32%	0.318	C	S	.	.	S	Bend	trans	-71.2	128.8	176.5	-66.5	0	0	0	0	109.8	T105 H106 M352 L357	T105-T109 HydrophobicContact CG2-CG2 3.66Å; H106-T109 WeakPolarHBondContact O-CB 3.29Å; H106-T109 PolarHBondContact O-N 3.4Å; H106-T109 PolarHBondContact O-OG1 3.22Å; T109-M352 WeakPolarHBondContact CG2-O 3.45Å; T109-L357 HydrophobicContact CG2-CD1 4.27Å
110	P	98.1	Very high	96.3	Very high	22 Å²	22	61.8 Å²	61.8	14%	0.143	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.8	137.7	174.7	-19	30.5	0	0	0	111.2	K116 R118 E351 P353 S354	P110-K116 HydrophobicContact CB-CB 4.35Å; P110-K116 VanDerWaalsContact CB-O 3.25Å; P110-K116 WeakPolarHBondContact CB-O 3.43Å; P110-R118 HydrophobicContact CG-CB 3.81Å; P110-E351 HydrophobicContact CG-CG 4.45Å; P110-P353 HydrophobicContact CB-CB 4.14Å; P110-P353 CarbonylContact O-C 3.58Å; P110-P353 WeakPolarHBondContact O-CA 3.48Å; P110-P353 WeakPolarHBondContact O-CB 3.27Å; P110-S354 PolarHBondContact O-N 3Å
111	I	98.2	Very high	96.7	Very high	107 Å²	107	61.8 Å²	61.8	55%	0.549	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-89.4	127.9	178.9	-52.8	-58.1	0	0	0	110.2	A65 S354	A65-I111 HydrophobicContact CB-CD1 3.96Å; A65-I111 HydrophobicContact CB-CG2 4.09Å; I111-S354 WeakPolarHBondContact CA-OG 3.39Å
112	G	97.6	Very high	96.8	Very high	13 Å²	13	65.6 Å²	65.6	13%	0.134	35%	0.347	C	S	.	.	S	Bend	trans	129.6	-163.2	173.4	0	0	0	0	0	114.7	P353 S354 E355	G112-P353 WeakPolarHBondContact O-CB 3.06Å; G112-S354 PolarHBondContact N-OG 3.25Å; G112-E355 VanDerWaalsContact O-CB 3.3Å; G112-E355 WeakPolarHBondContact O-CB 3.39Å; G112-E355 WeakPolarHBondContact O-CG 3.37Å; G112-E355 PolarHBondContact O-N 3.29Å
113	D	97.1	Very high	97	Very high	70 Å²	70	67.3 Å²	67.3	37%	0.374	35%	0.354	S	S	.	.	S	Bend	trans	-74.7	176.1	179.9	67.5	29.9	0	0	0	113.5	S115 K116 P353	D113-S115 PolarHBondContact O-N 3.43Å; D113-S115 WeakPolarHBondContact OD1-CA 3.29Å; D113-S115 WeakPolarHBondContact OD1-CB 3.36Å; D113-S115 PolarHBondContact OD1-N 3.18Å; D113-S115 PolarHBondContact OD1-OG 3.38Å; D113-K116 WeakPolarHBondContact O-CB 3.3Å; D113-K116 PolarHBondContact O-N 3.49Å; D113-P353 WeakPolarHBondContact O-CG 3.28Å
114	S	93.9	Very high	96.9	Very high	71 Å²	71	69.2 Å²	69.2	50%	0.497	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-50.3	-24.1	178.8	52.3	0	0	0	0	115.4	K116 A117 E356	S114-K116 PolarHBondContact O-N 2.83Å; S114-A117 WeakPolarHBondContact O-CB 3.34Å; S114-A117 PolarHBondContact O-N 3.36Å; S114-E356 WeakPolarHBondContact CB-OE1 3.28Å
115	S	96.7	Very high	96.8	Very high	88 Å²	88	70 Å²	70	62%	0.615	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-67.6	-17.1	175.2	78.1	0	0	0	0	113.3	D113	D113-S115 PolarHBondContact O-N 3.43Å; D113-S115 WeakPolarHBondContact OD1-CA 3.29Å; D113-S115 WeakPolarHBondContact OD1-CB 3.36Å; D113-S115 PolarHBondContact OD1-N 3.18Å; D113-S115 PolarHBondContact OD1-OG 3.38Å
116	K	98.2	Very high	96.5	Very high	115 Å²	115	73.6 Å²	73.6	50%	0.5	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-90.1	0.9	178.6	-54.2	-56.3	-178.9	-174	0	113.7	P110 D113 S114 R118 P353	P110-K116 HydrophobicContact CB-CB 4.35Å; P110-K116 VanDerWaalsContact CB-O 3.25Å; P110-K116 WeakPolarHBondContact CB-O 3.43Å; D113-K116 WeakPolarHBondContact O-CB 3.3Å; D113-K116 PolarHBondContact O-N 3.49Å; S114-K116 PolarHBondContact O-N 2.83Å; K116-R118 PolarHBondContact O-N 2.92Å; K116-P353 HydrophobicContact CB-CB 3.91Å; K116-P353 HydrophobicContact CB-CG 4.44Å
117	A	98	Very high	95.8	Very high	24 Å²	24	76.7 Å²	76.7	20%	0.198	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-53.6	128.8	175.6	0	0	0	0	0	111	S114 L350 E351 M352	S114-A117 WeakPolarHBondContact O-CB 3.34Å; S114-A117 PolarHBondContact O-N 3.36Å; A117-L350 HydrophobicContact CB-CB 4.46Å; A117-L350 HydrophobicContact CB-CD1 4.31Å; A117-E351 WeakPolarHBondContact CA-O 3.42Å; A117-M352 HydrophobicContact CB-SD 4.42Å
118	R	98.2	Very high	95.2	Very high	111 Å²	111	78.7 Å²	78.7	42%	0.419	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.1	-175.7	178.8	178.5	65	-147.6	-8	110.1	L108 P110 K116 I120 L350 E351	L108-R118 PolarHBondContact O-NH1 2.75Å; L108-R118 VanDerWaalsContact O-NH1 3.17Å; L108-R118 PolarHBondContact O-NH2 3.46Å; P110-R118 HydrophobicContact CG-CB 3.81Å; K116-R118 PolarHBondContact O-N 2.92Å; R118-I120 PolarHBondContact O-N 3.43Å; R118-L350 CarbonylContact O-C 3.59Å; R118-L350 WeakPolarHBondContact O-CA 3.45Å; R118-E351 HydrophobicContact CB-CB 4.19Å; R118-E351 PolarHBondContact N-O 2.65Å; R118-E351 IonicContact NH2-OE2 2.92Å; R118-E351 PolarHBondContact O-N 2.85Å
119	H	96.7	Very high	94.6	Very high	108 Å²	108	78 Å²	78	50%	0.5	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	123.5	172.5	-81.1	-106	0	0	0	111.5	R348 L350	H119-R348 WeakPolarHBondContact CE1-CD 3.46Å; H119-R348 PolarHBondContact CE1-NH1 2.75Å; H119-R348 PolarHBondContact NE2-NH1 3.18Å; H119-R348 VanDerWaalsContact NE2-NH1 3.13Å; H119-L350 HydrophobicContact CB-CD2 4.35Å
120	I	95.8	Very high	94	Very high	86 Å²	86	87.7 Å²	87.7	44%	0.441	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-45.6	176.5	-54	178.1	0	0	0	110.3	R118 V349 E351 V365	R118-I120 PolarHBondContact O-N 3.43Å; I120-V349 HydrophobicContact CB-CB 4.49Å; I120-V349 HydrophobicContact CB-CG1 4.37Å; I120-V349 HydrophobicContact CD1-CG1 4.37Å; I120-V349 PolarHBondContact N-O 2.88Å; I120-E351 HydrophobicContact CD1-CB 3.85Å; I120-E351 HydrophobicContact CG1-CB 4.11Å; I120-V365 HydrophobicContact CD1-CG1 4.42Å; I120-V365 HydrophobicContact CD1-CG2 3.86Å
121	Y	97.6	Very high	93.5	Very high	98 Å²	98	89.9 Å²	89.9	38%	0.384	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.2	-172.6	176.5	-109.4	0	0	0	111	H123 I337 F347 R348 V349	Y121-H123 HydrophobicContact CE1-CB 3.72Å; Y121-H123 PolarHBondContact OH-ND1 3.06Å; Y121-I337 HydrophobicContact CD1-CD1 3.99Å; Y121-I337 HydrophobicContact CD1-CG1 4.45Å; Y121-I337 HydrophobicContact CE1-CD1 4.32Å; Y121-I337 HydrophobicContact CE1-CG2 3.88Å; Y121-F347 HydrophobicContact CE1-CE2 4.39Å; Y121-R348 CarbonylContact O-C 3.57Å; Y121-R348 WeakPolarHBondContact O-CA 3.25Å; Y121-V349 HydrophobicContact CD1-CG2 3.84Å; Y121-V349 HydrophobicContact CG-CG2 4.47Å; Y121-V349 PolarHBondContact N-O 3.46Å; Y121-V349 PolarHBondContact O-N 3.37Å
122	I	98.1	Very high	93	Very high	94 Å²	94	92.9 Å²	92.9	48%	0.482	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.9	172.6	-167.5	166.8	0	0	0	109.1
123	H	98	Very high	92.6	Very high	46 Å²	46	92.5 Å²	92.5	21%	0.213	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	-179.5	-172.9	74.4	0	0	0	111	Y121 A341 L345 H346 F347	Y121-H123 HydrophobicContact CE1-CB 3.72Å; Y121-H123 PolarHBondContact OH-ND1 3.06Å; H123-A341 WeakPolarHBondContact CE1-CB 3.37Å; H123-A341 VanDerWaalsContact NE2-CB 3.31Å; H123-A341 WeakPolarHBondContact NE2-CB 3.44Å; H123-L345 PolarHBondContact CD2-O 3.45Å; H123-H346 PolarHBondContact O-ND1 2.84Å; H123-F347 HydrophobicContact CB-CD1 3.97Å; H123-F347 HydrophobicContact CB-CD2 3.92Å; H123-F347 HydrophobicContact CB-CE1 3.56Å; H123-F347 HydrophobicContact CB-CE2 3.54Å; H123-F347 HydrophobicContact CB-CG 4.14Å; H123-F347 HydrophobicContact CB-CZ 3.35Å; H123-F347 AromaticContact CD2-CE1 3.54Å; H123-F347 AromaticContact CD2-CZ 3.98Å; H123-F347 AromaticContact CG-CE1 3.61Å; H123-F347 AromaticContact CG-CZ 3.58Å; H123-F347 PolarHBondContact N-O 3.1Å; H123-F347 PolarHBondContact O-N 2.88Å
124	G	95.4	Very high	92.3	Very high	55 Å²	55	90.9 Å²	90.9	57%	0.567	45%	0.447	S	S	*	.	S	Bend	trans	65.7	-163.8	179.8	0	0	0	0	0	113	H346	G124-H346 VanDerWaalsContact C-ND1 3.27Å; G124-H346 PolarHBondContact O-CE1 2.77Å; G124-H346 PolarHBondContact O-ND1 3.25Å
125	S	93.6	Very high	92.1	Very high	94 Å²	94	88.8 Å²	88.8	66%	0.657	43%	0.43	S	S	*	.			trans	-134.2	157.4	176.7	57.2	0	0	0	0	110	R127 H346	S125-R127 PolarHBondContact O-N 2.78Å; S125-H346 VanDerWaalsContact C-CG 3.46Å; S125-H346 PolarHBondContact N-ND1 2.84Å
126	K	92	Very high	91.6	Very high	97 Å²	97	84.7 Å²	84.7	42%	0.422	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-55.5	136.1	168.5	-62.6	-176.7	-178	-168.3	0	108.9	H346 W370 Y377	K126-H346 VanDerWaalsContact CG-CD2 3.49Å; K126-H346 WeakPolarHBondContact CG-CD2 3.24Å; K126-H346 PolarHBondContact N-CD2 2.57Å; K126-W370 HydrophobicContact CD-CD2 4.1Å; K126-W370 HydrophobicContact CD-CH2 4.39Å; K126-W370 HydrophobicContact CD-CZ2 3.91Å; K126-W370 HydrophobicContact CG-CD2 4.21Å; K126-W370 HydrophobicContact CG-CG 4.16Å; K126-W370 VanDerWaalsContact NZ-CH2 3.32Å; K126-Y377 WeakPolarHBondContact CE-OH 3.08Å
127	R	84.1	Confident	90.9	Very high	86 Å²	86	81 Å²	81	33%	0.325	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64.2	136.3	176.3	177.1	178.7	175.3	-176.6	-1.6	109.5	S125 E129 T428 Q430	S125-R127 PolarHBondContact O-N 2.78Å; R127-E129 PolarHBondContact O-N 2.88Å; R127-T428 PolarHBondContact NH1-O 2.81Å; R127-Q430 PolarHBondContact NH1-O 2.91Å; R127-Q430 PolarHBondContact NH2-O 2.82Å
128	E	83.1	Confident	90.3	Very high	155 Å²	155	83.6 Å²	83.6	72%	0.724	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-64.2	121.2	170.6	-70.5	-178.4	174.2	0	0	110.3	R130	E128-R130 PolarHBondContact O-N 3.28Å; E128-R130 VanDerWaalsContact O-N 3.11Å
129	E	79.2	Confident	89.5	Confident	93 Å²	93	78.3 Å²	78.3	44%	0.435	38%	0.377	S	S	.	.			trans	-80.3	92.6	-179.5	-67.1	-176.5	-160.9	0	0	110.1	R127 L133 Q375	R127-E129 PolarHBondContact O-N 2.88Å; E129-L133 HydrophobicContact CG-CD1 4.03Å; E129-L133 HydrophobicContact CG-CG 4.39Å; E129-Q375 PolarHBondContact OE1-NE2 3.29Å
130	R	84	Confident	88.4	Confident	209 Å²	209	73.8 Å²	73.8	79%	0.789	36%	0.357	S	S	*	.	S	Bend	trans	-75.7	-18.5	170	-62.1	-179.4	-171.9	173	2.2	112.4	E128	E128-R130 PolarHBondContact O-N 3.28Å; E128-R130 VanDerWaalsContact O-N 3.11Å
131	W	87	Confident	87	Confident	67 Å²	67	73.1 Å²	73.1	25%	0.254	36%	0.36	S	S	.	.	S	Bend	trans	-149.5	164.6	172.6	60.4	92.7	0	0	0	108.8	L133 Q430 T431 Q432	W131-L133 PolarHBondContact O-N 3.33Å; W131-L133 VanDerWaalsContact O-N 3.16Å; W131-Q430 WeakPolarHBondContact CZ2-O 3.41Å; W131-T431 PolarHBondContact NE1-O 2.84Å; W131-Q432 HydrophobicContact CD2-CB 3.94Å; W131-Q432 HydrophobicContact CD2-CG 4.35Å; W131-Q432 HydrophobicContact CE3-CB 3.98Å; W131-Q432 HydrophobicContact CE3-CG 4.44Å; W131-Q432 HydrophobicContact CG-CB 4.47Å; W131-Q432 HydrophobicContact CG-CG 4.48Å; W131-Q432 HydrophobicContact CH2-CB 4.29Å; W131-Q432 HydrophobicContact CZ2-CB 4.25Å; W131-Q432 HydrophobicContact CZ3-CB 4.17Å
132	K	88.4	Confident	85	Confident	171 Å²	171	69.7 Å²	69.7	74%	0.743	35%	0.354	S	S	*	.			trans	-66.1	114.8	177.2	-175.5	177.8	-178.8	179.9	0	110.2
133	L	89.8	Confident	82.5	Confident	5 Å²	5	71 Å²	71	3%	0.026	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-73.2	131.1	172.8	-62.9	175.1	0	0	0	109.1	E129 W131 P372 Q430	E129-L133 HydrophobicContact CG-CD1 4.03Å; E129-L133 HydrophobicContact CG-CG 4.39Å; W131-L133 PolarHBondContact O-N 3.33Å; W131-L133 VanDerWaalsContact O-N 3.16Å; L133-P372 HydrophobicContact CB-CB 4.05Å; L133-P372 HydrophobicContact CB-CG 4.43Å; L133-P372 HydrophobicContact CD1-CB 3.47Å; L133-P372 VanDerWaalsContact CD1-CB 3.47Å; L133-P372 HydrophobicContact CD1-CG 3.81Å; L133-P372 HydrophobicContact CG-CB 4.4Å; L133-Q430 HydrophobicContact CD2-CG 3.34Å
134	L	90.4	Very high	79.7	Confident	36 Å²	36	75.3 Å²	75.3	19%	0.188	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-92.9	147.3	-178.6	-59.8	178.5	0	0	0	110.7	N138 I139 G373 Q430 K434	L134-N138 HydrophobicContact CB-CB 4.13Å; L134-N138 HydrophobicContact CD2-CB 4.31Å; L134-I139 HydrophobicContact CB-CB 4.06Å; L134-I139 HydrophobicContact CD1-CB 4.48Å; L134-G373 VanDerWaalsContact C-CA 3.5Å; L134-Q430 PolarHBondContact O-NE2 2.71Å; L134-K434 HydrophobicContact CD1-CD 4.25Å; L134-K434 HydrophobicContact CD1-CG 4.43Å
135	D	90.1	Very high	77	Confident	26 Å²	26	80.4 Å²	80.4	14%	0.139	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-65.9	167.3	164.6	68	54.3	0	0	0	111.5	I137 N138 I139	D135-I137 PolarHBondContact O-N 3.4Å; D135-I137 VanDerWaalsContact O-N 3.16Å; D135-I137 WeakPolarHBondContact OD1-CA 3.33Å; D135-I137 VanDerWaalsContact OD1-CB 3.27Å; D135-I137 WeakPolarHBondContact OD1-CB 3.43Å; D135-I137 PolarHBondContact OD1-N 3.25Å; D135-N138 PolarHBondContact O-N 3.19Å; D135-N138 PolarHBondContact OD1-N 3.02Å; D135-N138 PolarHBondContact OD1-ND2 3.19Å; D135-N138 PolarHBondContact OD2-ND2 3.48Å; D135-I139 WeakPolarHBondContact O-CG2 3.21Å; D135-I139 PolarHBondContact O-N 3.17Å
136	V	87	Confident	74.4	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.012	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.7	-176.6	83.1	0	0	0	0	114.3	T140 L165 L303 I426 E427	V136-T140 WeakPolarHBondContact O-CG2 3.19Å; V136-T140 PolarHBondContact O-OG1 2.79Å; V136-L165 HydrophobicContact CB-CD2 4.29Å; V136-L165 HydrophobicContact CG1-CD2 4.24Å; V136-L165 HydrophobicContact CG2-CD2 3.34Å; V136-L303 HydrophobicContact CB-CD1 4.44Å; V136-L303 HydrophobicContact CG1-CB 4.41Å; V136-L303 HydrophobicContact CG1-CD1 3.97Å; V136-L303 HydrophobicContact CG1-CG 4.14Å; V136-L303 HydrophobicContact CG2-CD1 3.83Å; V136-I426 HydrophobicContact CG2-CB 4.2Å; V136-I426 HydrophobicContact CG2-CD1 3.62Å; V136-I426 HydrophobicContact CG2-CG2 3.87Å; V136-E427 PolarHBondContact N-OE1 3.05Å
137	I	83	Confident	72.3	Confident	38 Å²	38	78 Å²	78	20%	0.195	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-48.3	178	-51.4	176.4	0	0	0	109.3	D135 T140 S141 V167 T302	D135-I137 PolarHBondContact O-N 3.4Å; D135-I137 VanDerWaalsContact O-N 3.16Å; D135-I137 WeakPolarHBondContact OD1-CA 3.33Å; D135-I137 VanDerWaalsContact OD1-CB 3.27Å; D135-I137 WeakPolarHBondContact OD1-CB 3.43Å; D135-I137 PolarHBondContact OD1-N 3.25Å; I137-T140 PolarHBondContact O-N 2.82Å; I137-T140 PolarHBondContact O-OG1 2.94Å; I137-S141 VanDerWaalsContact O-CB 3.3Å; I137-S141 WeakPolarHBondContact O-CB 3.28Å; I137-S141 PolarHBondContact O-N 3.22Å; I137-S141 PolarHBondContact O-OG 2.85Å; I137-V167 HydrophobicContact CG1-CG2 4.26Å; I137-V167 HydrophobicContact CG2-CG2 4.48Å; I137-T302 HydrophobicContact CD1-CG2 4.21Å; I137-T302 WeakPolarHBondContact CD1-OG1 3.5Å; I137-T302 HydrophobicContact CG1-CG2 4.02Å
138	N	84	Confident	70.5	Confident	78 Å²	78	77 Å²	77	42%	0.417	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-72.1	-32.1	-173.8	-75.8	-43.6	0	0	0	112.1	L134 D135 T140 S141	L134-N138 HydrophobicContact CB-CB 4.13Å; L134-N138 HydrophobicContact CD2-CB 4.31Å; D135-N138 PolarHBondContact O-N 3.19Å; D135-N138 PolarHBondContact OD1-N 3.02Å; D135-N138 PolarHBondContact OD1-ND2 3.19Å; D135-N138 PolarHBondContact OD2-ND2 3.48Å; N138-T140 PolarHBondContact O-N 3.28Å; N138-S141 PolarHBondContact O-OG 2.87Å; N138-S141 VanDerWaalsContact O-OG 3.07Å
139	I	81.3	Confident	68.9	Low	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-69.8	-20.6	174.4	-158.4	176.4	0	0	0	113.1	L134 D135 P161 I426 Q430 K434	L134-I139 HydrophobicContact CB-CB 4.06Å; L134-I139 HydrophobicContact CD1-CB 4.48Å; D135-I139 WeakPolarHBondContact O-CG2 3.21Å; D135-I139 PolarHBondContact O-N 3.17Å; I139-P161 HydrophobicContact CD1-CG 4.37Å; I139-P161 HydrophobicContact CG1-CG 4.27Å; I139-I426 HydrophobicContact CD1-CG2 4.23Å; I139-I426 HydrophobicContact CG2-CG2 3.8Å; I139-Q430 HydrophobicContact CD1-CB 3.52Å; I139-Q430 HydrophobicContact CD1-CG 4.39Å; I139-K434 HydrophobicContact CG1-CB 3.92Å; I139-K434 HydrophobicContact CG1-CG 4.49Å
140	T	75.2	Confident	67.3	Low	14 Å²	14	73.6 Å²	73.6	9%	0.086	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-115.4	17.9	-175.5	62	0	0	0	0	114.1	V136 I137 N138 P161 E162 L165	V136-T140 WeakPolarHBondContact O-CG2 3.19Å; V136-T140 PolarHBondContact O-OG1 2.79Å; I137-T140 PolarHBondContact O-N 2.82Å; I137-T140 PolarHBondContact O-OG1 2.94Å; N138-T140 PolarHBondContact O-N 3.28Å; T140-P161 HydrophobicContact CG2-CB 3.79Å; T140-P161 HydrophobicContact CG2-CG 4.13Å; T140-E162 VanDerWaalsContact O-OE1 3.12Å; T140-L165 HydrophobicContact CG2-CB 3.86Å; T140-L165 HydrophobicContact CG2-CD2 4.1Å
141	S	66.1	Low	65.3	Low	72 Å²	72	69.1 Å²	69.1	50%	0.503	37%	0.365	S	S	.	.			trans	-108	10	-175.3	63.6	0	0	0	0	114.4	I137 N138	I137-S141 VanDerWaalsContact O-CB 3.3Å; I137-S141 WeakPolarHBondContact O-CB 3.28Å; I137-S141 PolarHBondContact O-N 3.22Å; I137-S141 PolarHBondContact O-OG 2.85Å; N138-S141 PolarHBondContact O-OG 2.87Å; N138-S141 VanDerWaalsContact O-OG 3.07Å
142	G	55	Low	63.1	Low	25 Å²	25	73.6 Å²	73.6	26%	0.258	39%	0.394	S	S	.	.	S	Bend	trans	-84.5	159.4	-174.2	0	0	0	0	0	114.4	H144 E162	G142-H144 PolarHBondContact O-N 2.9Å; G142-E162 WeakPolarHBondContact CA-OE2 3.19Å; G142-E162 VanDerWaalsContact N-CD 3.31Å; G142-E162 PolarHBondContact N-OE1 2.77Å; G142-E162 PolarHBondContact N-OE2 3.42Å
143	S	44.7	Very low	61.2	Low	122 Å²	122	71.2 Å²	71.2	85%	0.853	39%	0.394	S	S	*	.			trans	-82	23	177.2	-33.5	0	0	0	0	113.6
144	H	40.5	Very low	59.2	Low	136 Å²	136	76.9 Å²	76.9	63%	0.63	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-93.6	145.1	-171.5	-71.7	-57.4	0	0	0	112.8	G142 E162	G142-H144 PolarHBondContact O-N 2.9Å; H144-E162 HydrophobicContact CB-CG 4.18Å; H144-E162 WeakPolarHBondContact O-CG 3.14Å
145	H	39.3	Very low	57.5	Low	162 Å²	162	81.1 Å²	81.1	75%	0.75	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-76.9	141.1	173.5	-67.9	61.4	0	0	0	109.4	V147	H145-V147 PolarHBondContact O-N 3.35Å
146	P	39.1	Very low	56.5	Low	68 Å²	68	81.9 Å²	81.9	44%	0.442	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-67.2	133.2	-179.2	25.1	-32.5	0	0	0	111.4	Y164	P146-Y164 HydrophobicContact CB-CE2 3.57Å; P146-Y164 WeakPolarHBondContact CB-OH 3.3Å
147	V	46	Very low	56.1	Low	72 Å²	72	83.7 Å²	83.7	44%	0.436	47%	0.473	S	S	.	.			trans	-132.8	121.9	169.3	-169.5	0	0	0	0	108.2	H145 N149 N160	H145-V147 PolarHBondContact O-N 3.35Å; V147-N149 WeakPolarHBondContact CG1-OD1 3.07Å; V147-N149 PolarHBondContact O-N 3.43Å; V147-N160 WeakPolarHBondContact O-CB 3.48Å
148	I	48.1	Very low	56	Low	66 Å²	66	82.9 Å²	82.9	34%	0.338	47%	0.47	S	S	.	.			trans	-81.8	96.9	163.9	-60.5	174.2	0	0	0	105.9	H150 P184 M448	I148-H150 PolarHBondContact O-N 3.01Å; I148-P184 HydrophobicContact CD1-CG 4.01Å; I148-P184 HydrophobicContact CG1-CG 4.28Å; I148-M448 HydrophobicContact CD1-CE 4.3Å; I148-M448 HydrophobicContact CG2-CE 3.7Å
149	N	48.2	Very low	56	Low	48 Å²	48	79.1 Å²	79.1	26%	0.257	45%	0.45	S	S	.	.			trans	-79.2	102.6	173.4	-83.1	-14.2	0	0	0	109.4	V147 H151	V147-N149 WeakPolarHBondContact CG1-OD1 3.07Å; V147-N149 PolarHBondContact O-N 3.43Å; N149-H151 PolarHBondContact ND2-NE2 3.41Å; N149-H151 VanDerWaalsContact ND2-NE2 3.11Å; N149-H151 PolarHBondContact O-N 2.9Å
150	H	46	Very low	56	Low	129 Å²	129	80.1 Å²	80.1	60%	0.597	46%	0.455	S	S	*	.			trans	-75.9	65.7	157	-62.8	-63.3	0	0	0	108.8	I148 N152	I148-H150 PolarHBondContact O-N 3.01Å; H150-N152 VanDerWaalsContact C-N 3.31Å; H150-N152 PolarHBondContact O-N 2.93Å
151	H	42.3	Very low	56.3	Low	115 Å²	115	79.4 Å²	79.4	53%	0.532	45%	0.451	S	S	.	.			trans	-70.3	99.3	166.4	-73.9	-50.7	0	0	0	107.5	N149 T153	N149-H151 PolarHBondContact ND2-NE2 3.41Å; N149-H151 VanDerWaalsContact ND2-NE2 3.11Å; N149-H151 PolarHBondContact O-N 2.9Å; H151-T153 PolarHBondContact O-N 3.38Å
152	N	41.6	Very low	56.9	Low	161 Å²	161	76.7 Å²	76.7	86%	0.861	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	19.7	177.7	-163.8	29.9	0	0	0	112.7	H150	H150-N152 VanDerWaalsContact C-N 3.31Å; H150-N152 PolarHBondContact O-N 2.93Å
153	T	47.4	Very low	58.1	Low	121 Å²	121	78.3 Å²	78.3	74%	0.742	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-23.8	-173.5	52.6	0	0	0	0	112.9	H151	H151-T153 PolarHBondContact O-N 3.38Å
154	D	47	Very low	60	Low	123 Å²	123	74.7 Å²	74.7	66%	0.658	42%	0.415	S	S	*	.	S	Bend	trans	-130.6	136.1	165.1	-80.1	-43.8	0	0	0	106.8	S156	D154-S156 PolarHBondContact O-N 3.48Å
155	S	55.8	Low	62.2	Low	125 Å²	125	68.7 Å²	68.7	87%	0.874	39%	0.387	S	S	*	.	S	Bend	trans	-56.6	-0.4	-172.3	43.8	0	0	0	0	116.6
156	S	68.2	Low	64.2	Low	43 Å²	43	68.1 Å²	68.1	30%	0.301	38%	0.378	S	S	.	.			trans	-82.2	131.8	178.7	58.7	0	0	0	0	113	D154	D154-S156 PolarHBondContact O-N 3.48Å
157	I	78.4	Confident	66.1	Low	40 Å²	40	66 Å²	66	21%	0.205	36%	0.364	C	S	.	.			trans	-82.9	129	168.3	-61.9	179.8	0	0	0	108.6	I438 I443 M448	I157-I438 HydrophobicContact CG2-CG1 4.41Å; I157-I438 PolarHBondContact O-N 3.28Å; I157-I443 HydrophobicContact CB-CD1 4.38Å; I157-I443 HydrophobicContact CD1-CB 4.35Å; I157-I443 HydrophobicContact CD1-CD1 4.11Å; I157-I443 HydrophobicContact CD1-CG1 4.03Å; I157-I443 HydrophobicContact CD1-CG2 3.57Å; I157-I443 HydrophobicContact CG1-CD1 4.12Å; I157-I443 HydrophobicContact CG1-CG1 4.43Å; I157-M448 HydrophobicContact CG2-CE 4.36Å
158	T	82.5	Confident	67.5	Low	20 Å²	20	68 Å²	68	12%	0.123	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.7	173.1	66.6	0	0	0	0	111.5	I436 I437	T158-I436 CarbonylContact C-O 3.53Å; T158-I436 VanDerWaalsContact CA-O 3.22Å; T158-I436 WeakPolarHBondContact CA-O 3.42Å; T158-I437 HydrophobicContact CG2-CG1 4Å
159	I	82.5	Confident	68.5	Low	0 Å²	0	74.3 Å²	74.3	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.2	173.9	-65.8	175.6	0	0	0	108	P161 P184 H435 I436 I438 M446 M448	I159-P161 WeakPolarHBondContact O-CD 3.38Å; I159-P184 HydrophobicContact CB-CB 4.45Å; I159-P184 HydrophobicContact CD1-CB 3.71Å; I159-P184 HydrophobicContact CG1-CB 4.06Å; I159-P184 HydrophobicContact CG2-CB 3.55Å; I159-P184 HydrophobicContact CG2-CG 4.19Å; I159-H435 CarbonylContact O-C 3.58Å; I159-H435 WeakPolarHBondContact O-CA 3.38Å; I159-I436 PolarHBondContact N-O 3.04Å; I159-I436 PolarHBondContact O-N 3.41Å; I159-I438 HydrophobicContact CB-CD1 4.27Å; I159-I438 HydrophobicContact CD1-CD1 3.34Å; I159-I438 HydrophobicContact CD1-CG1 3.73Å; I159-I438 HydrophobicContact CG1-CD1 3.79Å; I159-I438 HydrophobicContact CG1-CG1 3.84Å; I159-M446 HydrophobicContact CD1-CE 3.51Å; I159-M448 HydrophobicContact CG1-CE 4.45Å
160	N	82.1	Confident	69.5	Low	20 Å²	20	72.2 Å²	72.2	11%	0.107	38%	0.377	C	S	.	.			trans	-77.9	114.7	162.2	-173.7	-16	0	0	0	108.6	V147 E162 Y164	V147-N160 WeakPolarHBondContact O-CB 3.48Å; N160-E162 PolarHBondContact O-N 3.47Å; N160-E162 WeakPolarHBondContact OD1-CB 3.45Å; N160-E162 PolarHBondContact OD1-N 2.87Å; N160-Y164 VanDerWaalsContact O-CD2 3.29Å; N160-Y164 WeakPolarHBondContact O-CD2 3.48Å
161	P	81.1	Confident	70	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.375	C	S	.	.			trans	-77.6	-7.5	-179.5	32.4	-34.7	0	0	0	114	I139 T140 I159 G163 Y164 L185 K434 I436	I139-P161 HydrophobicContact CD1-CG 4.37Å; I139-P161 HydrophobicContact CG1-CG 4.27Å; T140-P161 HydrophobicContact CG2-CB 3.79Å; T140-P161 HydrophobicContact CG2-CG 4.13Å; I159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-G163 PolarHBondContact O-N 3.03Å; P161-Y164 WeakPolarHBondContact O-CB 3.39Å; P161-Y164 PolarHBondContact O-N 3Å; P161-L185 HydrophobicContact CB-CD1 4.1Å; P161-L185 HydrophobicContact CB-CD2 4.43Å; P161-K434 WeakPolarHBondContact CD-O 3.44Å; P161-I436 HydrophobicContact CB-CD1 3.52Å; P161-I436 HydrophobicContact CB-CG1 4.46Å; P161-I436 HydrophobicContact CG-CD1 3.65Å; P161-I436 HydrophobicContact CG-CG1 4.06Å
162	E	80.1	Confident	70.8	Confident	15 Å²	15	73 Å²	73	7%	0.07	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	133.6	-176.3	-170.6	56.7	-108.7	0	0	111.9	T140 G142 H144 N160 Y164	T140-E162 VanDerWaalsContact O-OE1 3.12Å; G142-E162 WeakPolarHBondContact CA-OE2 3.19Å; G142-E162 VanDerWaalsContact N-CD 3.31Å; G142-E162 PolarHBondContact N-OE1 2.77Å; G142-E162 PolarHBondContact N-OE2 3.42Å; H144-E162 HydrophobicContact CB-CG 4.18Å; H144-E162 WeakPolarHBondContact O-CG 3.14Å; N160-E162 PolarHBondContact O-N 3.47Å; N160-E162 WeakPolarHBondContact OD1-CB 3.45Å; N160-E162 PolarHBondContact OD1-N 2.87Å; E162-Y164 VanDerWaalsContact O-CD2 3.23Å; E162-Y164 WeakPolarHBondContact O-CD2 3.11Å; E162-Y164 PolarHBondContact O-N 2.9Å
163	G	79.1	Confident	71.6	Confident	58 Å²	58	67.1 Å²	67.1	60%	0.598	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-6	-175.8	0	0	0	0	0	116.3	P161	P161-G163 PolarHBondContact O-N 3.03Å
164	Y	84.4	Confident	72.4	Confident	47 Å²	47	65.2 Å²	65.2	18%	0.184	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-8.7	-177.2	-66	-62.5	0	0	0	114.9	P146 N160 P161 E162 F181 S182 P184	P146-Y164 HydrophobicContact CB-CE2 3.57Å; P146-Y164 WeakPolarHBondContact CB-OH 3.3Å; N160-Y164 VanDerWaalsContact O-CD2 3.29Å; N160-Y164 WeakPolarHBondContact O-CD2 3.48Å; P161-Y164 WeakPolarHBondContact O-CB 3.39Å; P161-Y164 PolarHBondContact O-N 3Å; E162-Y164 VanDerWaalsContact O-CD2 3.23Å; E162-Y164 WeakPolarHBondContact O-CD2 3.11Å; E162-Y164 PolarHBondContact O-N 2.9Å; Y164-F181 CarbonylContact O-C 3.5Å; Y164-F181 WeakPolarHBondContact O-CA 3.43Å; Y164-S182 WeakPolarHBondContact CA-OG 3.44Å; Y164-S182 WeakPolarHBondContact CB-O 3.45Å; Y164-S182 WeakPolarHBondContact CD1-O 3.04Å; Y164-S182 WeakPolarHBondContact CD1-OG 3.46Å; Y164-S182 PolarHBondContact O-N 2.92Å; Y164-P184 HydrophobicContact CD2-CG 4.47Å; Y164-P184 VanDerWaalsContact CE1-CD 3.5Å; Y164-P184 HydrophobicContact CE2-CG 4.17Å
165	L	87.4	Confident	73.5	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.052	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.3	169.8	176.7	58.2	0	0	0	109.7	V136 T140 V167 Y180 F181 L185 L303	V136-L165 HydrophobicContact CB-CD2 4.29Å; V136-L165 HydrophobicContact CG1-CD2 4.24Å; V136-L165 HydrophobicContact CG2-CD2 3.34Å; T140-L165 HydrophobicContact CG2-CB 3.86Å; T140-L165 HydrophobicContact CG2-CD2 4.1Å; L165-V167 HydrophobicContact CD1-CG1 3.65Å; L165-V167 HydrophobicContact CD2-CG1 4.23Å; L165-V167 HydrophobicContact CG-CG1 3.88Å; L165-Y180 WeakPolarHBondContact CA-O 3.15Å; L165-F181 HydrophobicContact CD1-CD1 3.74Å; L165-F181 HydrophobicContact CD1-CE1 3.58Å; L165-L185 HydrophobicContact CB-CD1 3.81Å; L165-L303 HydrophobicContact CD1-CD1 4.09Å; L165-L303 HydrophobicContact CD1-CD2 4.26Å; L165-L303 HydrophobicContact CD2-CD1 3.86Å
166	R	82.1	Confident	74.5	Confident	150 Å²	150	61.1 Å²	61.1	57%	0.566	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.7	170.8	-173	-178.7	-65.3	-176.6	-1	110.5	K168 T170 Y179 Y180	R166-K168 VanDerWaalsContact CG-O 3.29Å; R166-K168 WeakPolarHBondContact CG-O 3.04Å; R166-T170 HydrophobicContact CG-CG2 4.17Å; R166-Y179 CarbonylContact O-C 3.52Å; R166-Y179 VanDerWaalsContact O-CA 3.28Å; R166-Y179 WeakPolarHBondContact O-CA 3.14Å; R166-Y180 HydrophobicContact CB-CD2 4.27Å; R166-Y180 HydrophobicContact CG-CD2 4.47Å; R166-Y180 PolarHBondContact N-O 2.97Å; R166-Y180 PolarHBondContact O-N 3.13Å
167	V	78.1	Confident	75.2	Confident	22 Å²	22	60.4 Å²	60.4	13%	0.133	33%	0.326	C	S	.	.			trans	-124.8	-12.1	178.1	-66	0	0	0	0	113.2	I137 L165 T302 L303	I137-V167 HydrophobicContact CG1-CG2 4.26Å; I137-V167 HydrophobicContact CG2-CG2 4.48Å; L165-V167 HydrophobicContact CD1-CG1 3.65Å; L165-V167 HydrophobicContact CD2-CG1 4.23Å; L165-V167 HydrophobicContact CG-CG1 3.88Å; V167-T302 HydrophobicContact CB-CG2 3.46Å; V167-T302 VanDerWaalsContact CB-CG2 3.46Å; V167-T302 HydrophobicContact CG1-CG2 3.52Å; V167-T302 HydrophobicContact CG2-CG2 3.72Å; V167-L303 HydrophobicContact CG1-CD2 4.07Å; V167-L303 HydrophobicContact CG1-CG 4.26Å
168	K	75	Confident	75.5	Confident	115 Å²	115	59.6 Å²	59.6	50%	0.5	32%	0.323	S	S	.	.	S	Bend	trans	-105.4	154	170.7	-64.5	179.8	-178.3	172.8	0	109.3	R166 T170	R166-K168 VanDerWaalsContact CG-O 3.29Å; R166-K168 WeakPolarHBondContact CG-O 3.04Å; K168-T170 PolarHBondContact O-N 3.48Å; K168-T170 VanDerWaalsContact O-N 3.12Å
169	Y	69	Low	75.7	Confident	198 Å²	198	60 Å²	60	78%	0.776	32%	0.323	S	S	*	.	S	Bend	trans	54	29.5	-179.2	-48.1	-70.9	0	0	0	113.7	T171	Y169-T171 PolarHBondContact O-N 2.61Å
170	T	69.2	Low	76	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.031	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-79.3	2.2	172.8	57.6	0	0	0	0	112.1	R166 K168 L172 G173 G175 T178 Y180	R166-T170 HydrophobicContact CG-CG2 4.17Å; K168-T170 PolarHBondContact O-N 3.48Å; K168-T170 VanDerWaalsContact O-N 3.12Å; T170-L172 PolarHBondContact O-N 3.33Å; T170-G173 CarbonylContact O-C 3.38Å; T170-G173 VanDerWaalsContact O-CA 3.31Å; T170-G173 WeakPolarHBondContact O-CA 3.38Å; T170-G173 PolarHBondContact O-N 3.24Å; T170-G175 PolarHBondContact OG1-O 2.97Å; T170-G175 VanDerWaalsContact OG1-O 3.12Å; T170-T178 WeakPolarHBondContact CB-OG1 3.46Å; T170-T178 PolarHBondContact OG1-OG1 2.96Å; T170-Y180 HydrophobicContact CG2-CD2 3.94Å; T170-Y180 HydrophobicContact CG2-CE2 3.93Å
171	T	57.1	Low	76.3	Confident	90 Å²	90	65.5 Å²	65.5	55%	0.552	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.8	-179.7	47.7	0	0	0	0	114.1	Y169 G173	Y169-T171 PolarHBondContact O-N 2.61Å; T171-G173 PolarHBondContact O-N 3.39Å
172	L	58.4	Low	76.6	Confident	171 Å²	171	68 Å²	68	90%	0.895	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63	-12.7	164.1	-76.8	161.2	0	0	0	112.2	T170	T170-L172 PolarHBondContact O-N 3.33Å
173	G	58.2	Low	76.9	Confident	37 Å²	37	68.9 Å²	68.9	38%	0.381	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-137.9	171.2	0	0	0	0	0	113.1	T170 T171 G175	T170-G173 CarbonylContact O-C 3.38Å; T170-G173 VanDerWaalsContact O-CA 3.31Å; T170-G173 WeakPolarHBondContact O-CA 3.38Å; T170-G173 PolarHBondContact O-N 3.24Å; T171-G173 PolarHBondContact O-N 3.39Å; G173-G175 PolarHBondContact O-N 3.02Å
174	A	65.7	Low	77.3	Confident	81 Å²	81	66.3 Å²	66.3	67%	0.669	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	24.4	-169.6	0	0	0	0	0	115.9	T178	A174-T178 HydrophobicContact CB-CG2 3.79Å
175	G	69.1	Low	77.5	Confident	23 Å²	23	64.1 Å²	64.1	24%	0.237	34%	0.338	C	S	.	.			trans	83.4	-162.4	177.3	0	0	0	0	0	115	T170 G173 T178	T170-G175 PolarHBondContact OG1-O 2.97Å; T170-G175 VanDerWaalsContact OG1-O 3.12Å; G173-G175 PolarHBondContact O-N 3.02Å; G175-T178 WeakPolarHBondContact O-CG2 3.28Å; G175-T178 PolarHBondContact O-OG1 3.34Å
176	H	76.9	Confident	77.7	Confident	139 Å²	139	65.1 Å²	65.1	64%	0.644	35%	0.348	S	S	*	.	S	Bend	trans	-59.1	166.2	176.5	-66.6	-83.2	0	0	0	111.8	T178 H307	H176-T178 PolarHBondContact O-N 3.39Å; H176-H307 PolarHBondContact O-CD2 3.1Å; H176-H307 PolarHBondContact O-NE2 2.98Å
177	K	82.2	Confident	78.1	Confident	28 Å²	28	62 Å²	62	12%	0.122	34%	0.34	C	S	.	.	S	Bend	trans	58.5	33.8	176.3	-64.1	-81	174.9	-177.2	0	113	P297 E300 P301 R305 V306 H307	K177-P297 WeakPolarHBondContact CE-O 3.49Å; K177-E300 PolarHBondContact NZ-O 3.42Å; K177-P301 PolarHBondContact NZ-O 3.18Å; K177-R305 WeakPolarHBondContact CD-O 3.38Å; K177-V306 CarbonylContact O-C 3.6Å; K177-V306 WeakPolarHBondContact O-CA 3.29Å; K177-V306 VanDerWaalsContact O-CB 3.22Å; K177-V306 WeakPolarHBondContact O-CB 3.31Å; K177-H307 PolarHBondContact O-N 2.71Å
178	T	85	Confident	78.9	Confident	23 Å²	23	61 Å²	61	14%	0.141	33%	0.334	C	S	.	.			trans	-121.5	162.7	172.7	57.3	0	0	0	0	109	T170 A174 G175 H176	T170-T178 WeakPolarHBondContact CB-OG1 3.46Å; T170-T178 PolarHBondContact OG1-OG1 2.96Å; A174-T178 HydrophobicContact CB-CG2 3.79Å; G175-T178 WeakPolarHBondContact O-CG2 3.28Å; G175-T178 PolarHBondContact O-OG1 3.34Å; H176-T178 PolarHBondContact O-N 3.39Å
179	Y	88.1	Confident	79.8	Confident	29 Å²	29	57.3 Å²	57.3	11%	0.114	32%	0.318	C	S	.	.			trans	-146	154.4	-179.5	63.7	-86.7	0	0	0	110.9	R166 F181 L303 V306 Q308 P419	R166-Y179 CarbonylContact O-C 3.52Å; R166-Y179 VanDerWaalsContact O-CA 3.28Å; R166-Y179 WeakPolarHBondContact O-CA 3.14Å; Y179-F181 HydrophobicContact CD2-CD1 4.39Å; Y179-F181 AromaticContact CD2-CD2 3.63Å; Y179-F181 HydrophobicContact CD2-CD2 3.63Å; Y179-F181 HydrophobicContact CD2-CE1 4.27Å; Y179-F181 AromaticContact CD2-CE2 3.48Å; Y179-F181 HydrophobicContact CD2-CE2 3.48Å; Y179-F181 VanDerWaalsContact CD2-CE2 3.48Å; Y179-F181 HydrophobicContact CD2-CG 4.08Å; Y179-F181 AromaticContact CD2-CZ 3.82Å; Y179-F181 HydrophobicContact CD2-CZ 3.82Å; Y179-F181 AromaticContact CE2-CD2 3.36Å; Y179-F181 HydrophobicContact CE2-CD2 3.36Å; Y179-F181 AromaticContact CE2-CE2 3.16Å; Y179-F181 HydrophobicContact CE2-CE2 3.16Å; Y179-F181 HydrophobicContact CE2-CG 4.25Å; Y179-F181 AromaticContact CE2-CZ 3.92Å; Y179-F181 HydrophobicContact CE2-CZ 3.92Å; Y179-L303 VanDerWaalsContact CB-CD2 3.48Å; Y179-L303 HydrophobicContact CD1-CD2 3.9Å; Y179-L303 HydrophobicContact CD2-CD2 4.28Å; Y179-L303 HydrophobicContact CG-CD2 3.62Å; Y179-V306 HydrophobicContact CD1-CB 4.24Å; Y179-V306 HydrophobicContact CD1-CG1 3.93Å; Y179-V306 HydrophobicContact CD1-CG2 4.29Å; Y179-V306 HydrophobicContact CE1-CB 4.31Å; Y179-V306 HydrophobicContact CE1-CG1 4.38Å; Y179-V306 HydrophobicContact CE1-CG2 3.9Å; Y179-Q308 WeakPolarHBondContact CE1-O 3.27Å; Y179-P419 HydrophobicContact CE1-CB 4.36Å; Y179-P419 HydrophobicContact CE1-CG 3.79Å; Y179-P419 WeakPolarHBondContact OH-CG 3.47Å
180	Y	87.2	Confident	81.1	Confident	112 Å²	112	51.4 Å²	51.4	44%	0.439	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.4	162.5	-60.4	-101.3	0	0	0	107.9	L165 R166 T170	L165-Y180 WeakPolarHBondContact CA-O 3.15Å; R166-Y180 HydrophobicContact CB-CD2 4.27Å; R166-Y180 HydrophobicContact CG-CD2 4.47Å; R166-Y180 PolarHBondContact N-O 2.97Å; R166-Y180 PolarHBondContact O-N 3.13Å; T170-Y180 HydrophobicContact CG2-CD2 3.94Å; T170-Y180 HydrophobicContact CG2-CE2 3.93Å
181	F	89.9	Confident	82.4	Confident	23 Å²	23	51.1 Å²	51.1	10%	0.101	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.7	157.4	-61.3	-52.5	0	0	0	107.9	Y164 L165 Y179 L185 A186 E189 L303 M422	Y164-F181 CarbonylContact O-C 3.5Å; Y164-F181 WeakPolarHBondContact O-CA 3.43Å; L165-F181 HydrophobicContact CD1-CD1 3.74Å; L165-F181 HydrophobicContact CD1-CE1 3.58Å; Y179-F181 HydrophobicContact CD2-CD1 4.39Å; Y179-F181 AromaticContact CD2-CD2 3.63Å; Y179-F181 HydrophobicContact CD2-CD2 3.63Å; Y179-F181 HydrophobicContact CD2-CE1 4.27Å; Y179-F181 AromaticContact CD2-CE2 3.48Å; Y179-F181 HydrophobicContact CD2-CE2 3.48Å; Y179-F181 VanDerWaalsContact CD2-CE2 3.48Å; Y179-F181 HydrophobicContact CD2-CG 4.08Å; Y179-F181 AromaticContact CD2-CZ 3.82Å; Y179-F181 HydrophobicContact CD2-CZ 3.82Å; Y179-F181 AromaticContact CE2-CD2 3.36Å; Y179-F181 HydrophobicContact CE2-CD2 3.36Å; Y179-F181 AromaticContact CE2-CE2 3.16Å; Y179-F181 HydrophobicContact CE2-CE2 3.16Å; Y179-F181 HydrophobicContact CE2-CG 4.25Å; Y179-F181 AromaticContact CE2-CZ 3.92Å; Y179-F181 HydrophobicContact CE2-CZ 3.92Å; F181-L185 HydrophobicContact CB-CB 4.11Å; F181-L185 HydrophobicContact CD1-CB 3.98Å; F181-L185 HydrophobicContact CD1-CD1 4.3Å; F181-L185 HydrophobicContact CG-CB 4.35Å; F181-A186 HydrophobicContact CB-CB 4.22Å; F181-E189 HydrophobicContact CD2-CB 4.2Å; F181-L303 HydrophobicContact CE1-CD1 3.98Å; F181-L303 HydrophobicContact CE1-CD2 4.48Å; F181-L303 HydrophobicContact CZ-CD1 4.07Å; F181-L303 HydrophobicContact CZ-CD2 4.22Å; F181-M422 HydrophobicContact CD1-CE 3.97Å; F181-M422 HydrophobicContact CD2-CE 4.42Å; F181-M422 HydrophobicContact CE1-CE 3.7Å; F181-M422 HydrophobicContact CE2-CE 4.19Å; F181-M422 HydrophobicContact CE2-CG 4.2Å; F181-M422 HydrophobicContact CG-CE 4.34Å; F181-M422 HydrophobicContact CZ-CB 4Å; F181-M422 HydrophobicContact CZ-CE 3.84Å; F181-M422 HydrophobicContact CZ-CG 3.97Å
182	S	87.3	Confident	84.3	Confident	51 Å²	51	46.9 Å²	46.9	36%	0.357	28%	0.278	S	S	.	.			trans	-129.3	165.8	171.9	63.8	0	0	0	0	110.3	Y164 L185 A186	Y164-S182 WeakPolarHBondContact CA-OG 3.44Å; Y164-S182 WeakPolarHBondContact CB-O 3.45Å; Y164-S182 WeakPolarHBondContact CD1-O 3.04Å; Y164-S182 WeakPolarHBondContact CD1-OG 3.46Å; Y164-S182 PolarHBondContact O-N 2.92Å; S182-L185 PolarHBondContact O-N 2.62Å; S182-L185 VanDerWaalsContact O-N 3.13Å; S182-A186 PolarHBondContact O-N 2.66Å
183	G	86.2	Confident	86.2	Confident	35 Å²	35	40.5 Å²	40.5	36%	0.361	25%	0.245	S	C	.	.	H	α-helix	trans	49.4	-129.2	176.7	0	0	0	0	0	113.3	L185 A186 Q187	G183-L185 VanDerWaalsContact C-N 3.29Å; G183-L185 PolarHBondContact O-N 2.72Å; G183-A186 PolarHBondContact O-N 2.9Å; G183-A186 VanDerWaalsContact O-N 3.14Å; G183-Q187 PolarHBondContact O-N 2.84Å; G183-Q187 VanDerWaalsContact O-N 3.13Å
184	P	86.6	Confident	88.1	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-28.1	-177	-22.7	33.6	0	0	0	114.7	I148 I159 Y164 Q187 L188	I148-P184 HydrophobicContact CD1-CG 4.01Å; I148-P184 HydrophobicContact CG1-CG 4.28Å; I159-P184 HydrophobicContact CB-CB 4.45Å; I159-P184 HydrophobicContact CD1-CB 3.71Å; I159-P184 HydrophobicContact CG1-CB 4.06Å; I159-P184 HydrophobicContact CG2-CB 3.55Å; I159-P184 HydrophobicContact CG2-CG 4.19Å; Y164-P184 HydrophobicContact CD2-CG 4.47Å; Y164-P184 VanDerWaalsContact CE1-CD 3.5Å; Y164-P184 HydrophobicContact CE2-CG 4.17Å; P184-Q187 WeakPolarHBondContact O-CB 3.33Å; P184-Q187 PolarHBondContact O-N 3.44Å; P184-L188 WeakPolarHBondContact O-CB 3.14Å; P184-L188 PolarHBondContact O-N 3.13Å
185	L	89.7	Confident	89.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.9	-32.1	175.8	-66.3	-171.7	0	0	0	112.4	P161 L165 F181 S182 G183 Q187 L188 E189 M422 I436	P161-L185 HydrophobicContact CB-CD1 4.1Å; P161-L185 HydrophobicContact CB-CD2 4.43Å; L165-L185 HydrophobicContact CB-CD1 3.81Å; F181-L185 HydrophobicContact CB-CB 4.11Å; F181-L185 HydrophobicContact CD1-CB 3.98Å; F181-L185 HydrophobicContact CD1-CD1 4.3Å; F181-L185 HydrophobicContact CG-CB 4.35Å; S182-L185 PolarHBondContact O-N 2.62Å; S182-L185 VanDerWaalsContact O-N 3.13Å; G183-L185 VanDerWaalsContact C-N 3.29Å; G183-L185 PolarHBondContact O-N 2.72Å; L185-Q187 VanDerWaalsContact C-N 3.34Å; L185-L188 HydrophobicContact CD2-CD2 4.3Å; L185-L188 PolarHBondContact O-N 2.82Å; L185-E189 PolarHBondContact O-N 3.16Å; L185-M422 HydrophobicContact CB-CE 4.13Å; L185-M422 HydrophobicContact CD2-CE 4.14Å; L185-I436 HydrophobicContact CD2-CD1 4.22Å
186	A	90.7	Very high	90.9	Very high	32 Å²	32	35.9 Å²	35.9	26%	0.264	20%	0.2	S	C	.	.	H	α-helix	trans	-69.5	-35.5	171.9	0	0	0	0	0	111.5	F181 S182 G183 L188 E189 S190	F181-A186 HydrophobicContact CB-CB 4.22Å; S182-A186 PolarHBondContact O-N 2.66Å; G183-A186 PolarHBondContact O-N 2.9Å; G183-A186 VanDerWaalsContact O-N 3.14Å; A186-L188 VanDerWaalsContact C-N 3.33Å; A186-E189 PolarHBondContact O-N 2.84Å; A186-S190 PolarHBondContact O-N 2.92Å; A186-S190 PolarHBondContact O-OG 2.76Å
187	Q	90.8	Very high	91.9	Very high	84 Å²	84	30.7 Å²	30.7	39%	0.393	18%	0.176	S	C	.	.	H	α-helix	trans	-65.2	-38.5	171	-66.9	175	-5.9	0	0	111.3	G183 P184 L185 S190 A191 M446 M448	G183-Q187 PolarHBondContact O-N 2.84Å; G183-Q187 VanDerWaalsContact O-N 3.13Å; P184-Q187 WeakPolarHBondContact O-CB 3.33Å; P184-Q187 PolarHBondContact O-N 3.44Å; L185-Q187 VanDerWaalsContact C-N 3.34Å; Q187-S190 WeakPolarHBondContact O-CB 3.45Å; Q187-S190 PolarHBondContact O-N 2.8Å; Q187-A191 VanDerWaalsContact O-CB 3.31Å; Q187-A191 WeakPolarHBondContact O-CB 3.38Å; Q187-A191 PolarHBondContact O-N 3.23Å; Q187-M446 HydrophobicContact CB-CE 3.84Å; Q187-M446 HydrophobicContact CB-SD 4.39Å; Q187-M448 PolarHBondContact OE1-SD 3.32Å; Q187-M448 VanDerWaalsContact OE1-SD 3.38Å
188	L	93.8	Very high	92.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-40.2	176.7	-172.3	61.3	0	0	0	112.6	P184 L185 A186 S190 A191 L192 M422 I438 L442 M446	P184-L188 WeakPolarHBondContact O-CB 3.14Å; P184-L188 PolarHBondContact O-N 3.13Å; L185-L188 HydrophobicContact CD2-CD2 4.3Å; L185-L188 PolarHBondContact O-N 2.82Å; A186-L188 VanDerWaalsContact C-N 3.33Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-S190 PolarHBondContact O-N 2.85Å; L188-A191 PolarHBondContact O-N 3.42Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.22Å; L188-M422 HydrophobicContact CB-CE 4.19Å; L188-M422 HydrophobicContact CB-SD 4.09Å; L188-M422 HydrophobicContact CD2-CE 3.94Å; L188-M422 HydrophobicContact CD2-SD 3.63Å; L188-M422 HydrophobicContact CG-CE 4.21Å; L188-M422 HydrophobicContact CG-SD 3.6Å; L188-I438 HydrophobicContact CD1-CD1 4.31Å; L188-I438 HydrophobicContact CD2-CD1 4.28Å; L188-L442 HydrophobicContact CD1-CD1 3.61Å; L188-M446 VanDerWaalsContact CA-SD 3.53Å; L188-M446 HydrophobicContact CB-SD 3.93Å; L188-M446 HydrophobicContact CD1-SD 3.71Å; L188-M446 HydrophobicContact CG-SD 4.45Å
189	E	95.5	Very high	92.9	Very high	36 Å²	36	34.3 Å²	34.3	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-48.1	170.1	162.4	164.9	-129.8	0	0	111.1	F181 L185 A186 A191 L192 I193 T310 I418	F181-E189 HydrophobicContact CD2-CB 4.2Å; L185-E189 PolarHBondContact O-N 3.16Å; A186-E189 PolarHBondContact O-N 2.84Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.38Å; E189-L192 PolarHBondContact O-N 3.43Å; E189-I193 HydrophobicContact CG-CD1 4.25Å; E189-I193 WeakPolarHBondContact O-CG1 3.26Å; E189-I193 PolarHBondContact O-N 3.24Å; E189-T310 PolarHBondContact OE1-OG1 3.48Å; E189-I418 HydrophobicContact CB-CG2 4.18Å; E189-I418 HydrophobicContact CG-CG2 3.92Å
190	S	95.3	Very high	93.2	Very high	74 Å²	74	33 Å²	33	52%	0.517	19%	0.186	S	C	.	.	H	α-helix	trans	-63.9	-38.4	177.3	-59.2	0	0	0	0	112.4	A186 Q187 L188 I193 A194	A186-S190 PolarHBondContact O-N 2.92Å; A186-S190 PolarHBondContact O-OG 2.76Å; Q187-S190 WeakPolarHBondContact O-CB 3.45Å; Q187-S190 PolarHBondContact O-N 2.8Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-S190 PolarHBondContact O-N 2.85Å; S190-I193 PolarHBondContact O-N 3.41Å; S190-A194 WeakPolarHBondContact O-CB 3.34Å; S190-A194 PolarHBondContact O-N 3.02Å
191	A	96.2	Very high	93.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-41.7	178.6	0	0	0	0	0	111.8	Q187 L188 E189 A194 Y195 M446	Q187-A191 VanDerWaalsContact O-CB 3.31Å; Q187-A191 WeakPolarHBondContact O-CB 3.38Å; Q187-A191 PolarHBondContact O-N 3.23Å; L188-A191 PolarHBondContact O-N 3.42Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.38Å; A191-A194 PolarHBondContact O-N 2.96Å; A191-Y195 VanDerWaalsContact O-CB 3.24Å; A191-Y195 WeakPolarHBondContact O-CB 3.4Å; A191-Y195 PolarHBondContact O-N 3.05Å; A191-M446 HydrophobicContact CB-CG 4.16Å; A191-M446 HydrophobicContact CB-SD 3.8Å
192	L	98.2	Very high	92.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-45.9	175.1	-80.4	168.8	0	0	0	111.8	L188 E189 Y195 T196 L343 I418 I421 M422 L425 L442	L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.22Å; E189-L192 PolarHBondContact O-N 3.43Å; L192-Y195 PolarHBondContact O-N 2.56Å; L192-T196 WeakPolarHBondContact O-CB 3.47Å; L192-T196 PolarHBondContact O-N 2.99Å; L192-T196 PolarHBondContact O-OG1 2.89Å; L192-L343 HydrophobicContact CD2-CD1 4.21Å; L192-L343 HydrophobicContact CD2-CD2 4.11Å; L192-I418 HydrophobicContact CB-CD1 3.82Å; L192-I418 HydrophobicContact CD1-CG2 4.23Å; L192-I421 HydrophobicContact CD1-CG2 4.08Å; L192-I421 HydrophobicContact CD2-CG2 3.8Å; L192-M422 HydrophobicContact CD1-CG 3.79Å; L192-M422 HydrophobicContact CD1-SD 3.59Å; L192-M422 VanDerWaalsContact CD1-SD 3.59Å; L192-L425 HydrophobicContact CD1-CD1 4.06Å; L192-L425 HydrophobicContact CD2-CD1 3.84Å; L192-L425 HydrophobicContact CG-CD1 4.39Å; L192-L442 HydrophobicContact CD2-CD1 3.87Å; L192-L442 HydrophobicContact CD2-CD2 3.97Å; L192-L442 HydrophobicContact CG-CD1 4.24Å; L192-L442 HydrophobicContact CG-CD2 4.48Å
193	I	98.3	Very high	92.9	Very high	38 Å²	38	33.7 Å²	33.7	20%	0.195	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-50.2	176.5	-63	163.3	0	0	0	109.9	E189 S190 T196 M197 V288 T310 I418	E189-I193 HydrophobicContact CG-CD1 4.25Å; E189-I193 WeakPolarHBondContact O-CG1 3.26Å; E189-I193 PolarHBondContact O-N 3.24Å; S190-I193 PolarHBondContact O-N 3.41Å; I193-T196 PolarHBondContact O-N 2.9Å; I193-M197 HydrophobicContact CG2-CG 4.37Å; I193-M197 WeakPolarHBondContact O-CB 3.34Å; I193-M197 VanDerWaalsContact O-CG 3.22Å; I193-M197 WeakPolarHBondContact O-CG 3.24Å; I193-M197 PolarHBondContact O-N 3.12Å; I193-V288 HydrophobicContact CG2-CG1 3.91Å; I193-V288 HydrophobicContact CG2-CG2 3.94Å; I193-T310 HydrophobicContact CD1-CG2 3.7Å; I193-T310 HydrophobicContact CG1-CG2 4.18Å; I193-I418 HydrophobicContact CG1-CD1 3.61Å; I193-I418 HydrophobicContact CG1-CG1 3.98Å
194	A	96.5	Very high	92.8	Very high	40 Å²	40	33 Å²	33	33%	0.331	19%	0.188	S	C	.	.	H	α-helix	trans	-63.6	-43.7	-177.8	0	0	0	0	0	112.5	S190 A191 D198 Y445	S190-A194 WeakPolarHBondContact O-CB 3.34Å; S190-A194 PolarHBondContact O-N 3.02Å; A191-A194 PolarHBondContact O-N 2.96Å; A194-D198 WeakPolarHBondContact O-CB 3.44Å; A194-D198 PolarHBondContact O-N 2.99Å; A194-Y445 HydrophobicContact CB-CD1 3.57Å; A194-Y445 HydrophobicContact CB-CE1 4.24Å; A194-Y445 HydrophobicContact CB-CG 4.19Å
195	Y	96.7	Very high	93.1	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-57.3	-55.2	173.4	163.7	-103.4	0	0	0	110.9	A191 L192 M197 D198 R199 L339 D342 L343 V441 L442 Y445	A191-Y195 VanDerWaalsContact O-CB 3.24Å; A191-Y195 WeakPolarHBondContact O-CB 3.4Å; A191-Y195 PolarHBondContact O-N 3.05Å; L192-Y195 PolarHBondContact O-N 2.56Å; Y195-M197 VanDerWaalsContact C-N 3.31Å; Y195-M197 PolarHBondContact O-N 3.27Å; Y195-D198 PolarHBondContact O-N 3.03Å; Y195-D198 VanDerWaalsContact O-N 3.1Å; Y195-R199 HydrophobicContact CD2-CG 4.02Å; Y195-R199 HydrophobicContact CE1-CG 4.25Å; Y195-R199 HydrophobicContact CE2-CG 3.57Å; Y195-R199 WeakPolarHBondContact O-CG 3.38Å; Y195-R199 PolarHBondContact O-N 3.31Å; Y195-L339 HydrophobicContact CD1-CD2 4.48Å; Y195-L339 HydrophobicContact CE1-CD2 3.66Å; Y195-L339 PolarHBondContact OH-O 3.4Å; Y195-D342 VanDerWaalsContact OH-CB 3.24Å; Y195-D342 WeakPolarHBondContact OH-CB 3.25Å; Y195-D342 PolarHBondContact OH-OD2 2.84Å; Y195-D342 VanDerWaalsContact OH-OD2 3.13Å; Y195-L343 HydrophobicContact CD1-CD2 4.48Å; Y195-L343 HydrophobicContact CE1-CD2 4.22Å; Y195-L343 HydrophobicContact CE1-CG 4.24Å; Y195-V441 HydrophobicContact CD2-CB 4.24Å; Y195-V441 HydrophobicContact CD2-CG2 4.4Å; Y195-V441 HydrophobicContact CE2-CB 3.84Å; Y195-V441 HydrophobicContact CE2-CG2 3.96Å; Y195-L442 HydrophobicContact CD1-CD2 4.04Å; Y195-L442 HydrophobicContact CD2-CD2 4.49Å; Y195-L442 HydrophobicContact CG-CD2 3.82Å; Y195-Y445 AromaticContact CD2-CE2 3.94Å; Y195-Y445 HydrophobicContact CD2-CE2 3.94Å; Y195-Y445 HydrophobicContact CG-CE2 4.34Å
196	T	98.2	Very high	93.2	Very high	1 Å²	1	37 Å²	37	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-44.5	-178.1	-59.7	0	0	0	0	111.5	L192 I193 R199 L200 V312 L339 A415 C416	L192-T196 WeakPolarHBondContact O-CB 3.47Å; L192-T196 PolarHBondContact O-N 2.99Å; L192-T196 PolarHBondContact O-OG1 2.89Å; I193-T196 PolarHBondContact O-N 2.9Å; T196-R199 PolarHBondContact O-N 2.61Å; T196-L200 HydrophobicContact CG2-CD1 4.07Å; T196-L200 WeakPolarHBondContact O-CG 3.22Å; T196-L200 PolarHBondContact O-N 3.2Å; T196-V312 HydrophobicContact CG2-CB 3.9Å; T196-V312 HydrophobicContact CG2-CG1 3.89Å; T196-V312 HydrophobicContact CG2-CG2 4.04Å; T196-L339 HydrophobicContact CG2-CD1 4.37Å; T196-L339 HydrophobicContact CG2-CD2 4.49Å; T196-A415 HydrophobicContact CG2-CB 3.59Å; T196-C416 HydrophobicContact CG2-CB 3.73Å; T196-C416 WeakPolarHBondContact OG1-CB 3.5Å
197	M	96.7	Very high	93.5	Very high	30 Å²	30	39.1 Å²	39.1	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-43.1	176.6	-67.5	-61.5	-78.4	0	0	111.5	I193 Y195 R199 L200 R201 F207 V288 V312	I193-M197 HydrophobicContact CG2-CG 4.37Å; I193-M197 WeakPolarHBondContact O-CB 3.34Å; I193-M197 VanDerWaalsContact O-CG 3.22Å; I193-M197 WeakPolarHBondContact O-CG 3.24Å; I193-M197 PolarHBondContact O-N 3.12Å; Y195-M197 VanDerWaalsContact C-N 3.31Å; Y195-M197 PolarHBondContact O-N 3.27Å; M197-R199 VanDerWaalsContact C-N 3.33Å; M197-R199 PolarHBondContact O-N 2.75Å; M197-L200 PolarHBondContact O-N 2.89Å; M197-L200 VanDerWaalsContact O-N 3.16Å; M197-L200 HydrophobicContact SD-CD1 4.29Å; M197-R201 PolarHBondContact O-N 3.33Å; M197-F207 HydrophobicContact CB-CE2 4.22Å; M197-F207 HydrophobicContact CB-CZ 4.45Å; M197-F207 HydrophobicContact CE-CB 4.32Å; M197-F207 HydrophobicContact CE-CD1 4.19Å; M197-F207 HydrophobicContact CE-CD2 3.41Å; M197-F207 VanDerWaalsContact CE-CD2 3.41Å; M197-F207 HydrophobicContact CE-CE1 4.39Å; M197-F207 HydrophobicContact CE-CE2 3.64Å; M197-F207 HydrophobicContact CE-CG 3.72Å; M197-F207 HydrophobicContact CE-CZ 4.14Å; M197-F207 WeakPolarHBondContact O-CZ 3.23Å; M197-V288 HydrophobicContact CE-CG2 3.85Å; M197-V288 HydrophobicContact CG-CG2 3.73Å; M197-V288 HydrophobicContact SD-CG2 3.37Å; M197-V288 WeakPolarHBondContact SD-CG2 3.46Å; M197-V312 HydrophobicContact SD-CG1 3.68Å
198	D	94.4	Very high	93.7	Very high	65 Å²	65	36.1 Å²	36.1	35%	0.348	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-38.6	178	-162.2	24.9	0	0	0	112.5	A194 Y195 L200 R201 Y445	A194-D198 WeakPolarHBondContact O-CB 3.44Å; A194-D198 PolarHBondContact O-N 2.99Å; Y195-D198 PolarHBondContact O-N 3.03Å; Y195-D198 VanDerWaalsContact O-N 3.1Å; D198-L200 PolarHBondContact O-N 2.79Å; D198-R201 WeakPolarHBondContact O-CB 3.43Å; D198-R201 PolarHBondContact O-N 2.98Å; D198-R201 IonicContact OD1-CZ 3.88Å; D198-R201 IonicContact OD1-NH1 3.1Å; D198-R201 PolarHBondContact OD1-NH1 2.91Å; D198-Y445 HydrophobicContact CB-CE1 4.21Å; D198-Y445 WeakPolarHBondContact CB-OH 3.25Å; D198-Y445 PolarHBondContact OD2-OH 2.79Å
199	R	94.1	Very high	93.9	Very high	62 Å²	62	41.9 Å²	41.9	23%	0.234	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-39.7	173.3	-58.1	-57.7	-95.4	170.9	-15.9	112.1	F9 Y195 T196 M197 R201 G202 L339 D342	F9-R199 VanDerWaalsContact CE2-CZ 3.43Å; Y195-R199 HydrophobicContact CD2-CG 4.02Å; Y195-R199 HydrophobicContact CE1-CG 4.25Å; Y195-R199 HydrophobicContact CE2-CG 3.57Å; Y195-R199 WeakPolarHBondContact O-CG 3.38Å; Y195-R199 PolarHBondContact O-N 3.31Å; T196-R199 PolarHBondContact O-N 2.61Å; M197-R199 VanDerWaalsContact C-N 3.33Å; M197-R199 PolarHBondContact O-N 2.75Å; R199-R201 VanDerWaalsContact C-N 3.35Å; R199-G202 PolarHBondContact O-N 3.15Å; R199-L339 HydrophobicContact CB-CD2 3.69Å; R199-L339 HydrophobicContact CG-CD2 3.68Å; R199-D342 IonicContact CZ-OD2 3.74Å; R199-D342 IonicContact NE-OD2 3.84Å; R199-D342 PolarHBondContact NE-OD2 2.84Å; R199-D342 IonicContact NH2-OD1 2.72Å; R199-D342 IonicContact NH2-OD2 3.34Å; R199-D342 PolarHBondContact NH2-OD2 3.32Å
200	L	94.5	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-34.8	176.2	-74.7	163.9	0	0	0	112.4	T196 M197 D198 G202 T203 F205 F207 C286 V312 M314 L335 A415	T196-L200 HydrophobicContact CG2-CD1 4.07Å; T196-L200 WeakPolarHBondContact O-CG 3.22Å; T196-L200 PolarHBondContact O-N 3.2Å; M197-L200 PolarHBondContact O-N 2.89Å; M197-L200 VanDerWaalsContact O-N 3.16Å; M197-L200 HydrophobicContact SD-CD1 4.29Å; D198-L200 PolarHBondContact O-N 2.79Å; L200-G202 PolarHBondContact O-N 2.67Å; L200-G202 VanDerWaalsContact O-N 3.14Å; L200-T203 PolarHBondContact O-N 2.82Å; L200-T203 PolarHBondContact O-OG1 3.01Å; L200-F205 HydrophobicContact CD2-CB 4.49Å; L200-F205 HydrophobicContact CD2-CD2 4.4Å; L200-F205 HydrophobicContact CD2-CG 4.39Å; L200-F207 HydrophobicContact CB-CE1 4Å; L200-F207 HydrophobicContact CB-CZ 4.31Å; L200-C286 HydrophobicContact CD1-CB 4.07Å; L200-V312 HydrophobicContact CD1-CG1 3.6Å; L200-M314 HydrophobicContact CD2-CG 3.69Å; L200-M314 HydrophobicContact CD2-SD 3.55Å; L200-M314 VanDerWaalsContact CD2-SD 3.55Å; L200-L335 HydrophobicContact CD2-CD2 3.51Å; L200-A415 HydrophobicContact CD1-CB 4Å
201	R	88.8	Confident	94.2	Very high	150 Å²	150	41.2 Å²	41.2	57%	0.566	23%	0.234	S	C	*	.	H	α-helix	trans	-55.2	-36.5	178.5	-168	177.8	-66.5	121.9	-0.3	112.6	M197 D198 R199 T203 F207	M197-R201 PolarHBondContact O-N 3.33Å; D198-R201 WeakPolarHBondContact O-CB 3.43Å; D198-R201 PolarHBondContact O-N 2.98Å; D198-R201 IonicContact OD1-CZ 3.88Å; D198-R201 IonicContact OD1-NH1 3.1Å; D198-R201 PolarHBondContact OD1-NH1 2.91Å; R199-R201 VanDerWaalsContact C-N 3.35Å; R201-T203 PolarHBondContact O-N 3Å; R201-F207 HydrophobicContact CB-CE1 4.48Å; R201-F207 HydrophobicContact CB-CZ 3.77Å; R201-F207 HydrophobicContact CG-CZ 4.42Å
202	G	83	Confident	94.2	Very high	47 Å²	47	43.5 Å²	43.5	49%	0.485	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.6	-179.5	0	0	0	0	0	115.2	R199 L200	R199-G202 PolarHBondContact O-N 3.15Å; L200-G202 PolarHBondContact O-N 2.67Å; L200-G202 VanDerWaalsContact O-N 3.14Å
203	T	86.3	Confident	94.1	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.031	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-15.6	-169.6	64.8	0	0	0	0	113.4	F12 L15 L200 R201 F205 L335	F12-T203 HydrophobicContact CD1-CG2 4.38Å; F12-T203 HydrophobicContact CE1-CG2 4.48Å; L15-T203 PolarHBondContact N-O 3.11Å; L15-T203 VanDerWaalsContact N-O 3.12Å; L200-T203 PolarHBondContact O-N 2.82Å; L200-T203 PolarHBondContact O-OG1 3.01Å; R201-T203 PolarHBondContact O-N 3Å; T203-F205 VanDerWaalsContact OG1-CD2 3.28Å; T203-F205 WeakPolarHBondContact OG1-CD2 3.37Å; T203-L335 HydrophobicContact CG2-CD1 3.91Å; T203-L335 HydrophobicContact CG2-CD2 3.87Å
204	G	85.3	Confident	93.9	Very high	20 Å²	20	46.3 Å²	46.3	21%	0.206	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	3	-177.1	0	0	0	0	0	114.5	L15 N17 E206	L15-G204 WeakPolarHBondContact O-CA 3.41Å; N17-G204 PolarHBondContact ND2-O 3.16Å; G204-E206 PolarHBondContact O-N 3.5Å
205	F	91.5	Very high	93.7	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.057	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-61.5	127.1	164.7	-84.6	-95.3	0	0	0	110.6	L15 L200 T203 F207 G284 L285 C286 M314 M328 I332	L15-F205 HydrophobicContact CD1-CD2 4.06Å; L15-F205 HydrophobicContact CD1-CE2 4.1Å; L200-F205 HydrophobicContact CD2-CB 4.49Å; L200-F205 HydrophobicContact CD2-CD2 4.4Å; L200-F205 HydrophobicContact CD2-CG 4.39Å; T203-F205 VanDerWaalsContact OG1-CD2 3.28Å; T203-F205 WeakPolarHBondContact OG1-CD2 3.37Å; F205-F207 WeakPolarHBondContact O-CD1 3.27Å; F205-G284 CarbonylContact C-O 3.56Å; F205-G284 WeakPolarHBondContact CA-O 3.35Å; F205-G284 VanDerWaalsContact CD1-C 3.44Å; F205-L285 VanDerWaalsContact CD1-O 3.27Å; F205-L285 WeakPolarHBondContact CD1-O 3.44Å; F205-C286 HydrophobicContact CB-CB 4.31Å; F205-C286 HydrophobicContact CD1-CB 4.21Å; F205-M314 HydrophobicContact CD1-CB 4.24Å; F205-M314 HydrophobicContact CD1-CG 4.29Å; F205-M314 HydrophobicContact CE1-CB 3.58Å; F205-M314 HydrophobicContact CE1-CG 3.97Å; F205-M314 HydrophobicContact CE1-SD 4.41Å; F205-M314 HydrophobicContact CE2-SD 4.16Å; F205-M314 HydrophobicContact CZ-CB 3.91Å; F205-M314 HydrophobicContact CZ-CG 4.13Å; F205-M314 HydrophobicContact CZ-SD 3.96Å; F205-M328 HydrophobicContact CE1-CE 3.99Å; F205-M328 HydrophobicContact CE2-CE 3.69Å; F205-M328 HydrophobicContact CZ-CE 3.24Å; F205-I332 HydrophobicContact CZ-CD1 4.43Å; F205-I332 HydrophobicContact CZ-CG1 4.06Å
206	E	93.1	Very high	93.4	Very high	76 Å²	76	46.4 Å²	46.4	36%	0.355	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	142.3	175.8	-174.6	176.5	174.7	0	0	110.9	F21 G204 G284 L285 C286	F21-E206 WeakPolarHBondContact CE2-OE2 3.37Å; F21-E206 WeakPolarHBondContact CZ-OE2 3.35Å; G204-E206 PolarHBondContact O-N 3.5Å; E206-G284 PolarHBondContact N-O 3.44Å; E206-L285 HydrophobicContact CB-CD2 3.94Å; E206-L285 CarbonylContact O-C 3.49Å; E206-L285 WeakPolarHBondContact O-CA 3.39Å; E206-C286 PolarHBondContact O-N 2.93Å
207	F	95.6	Very high	93	Very high	75 Å²	75	47.3 Å²	47.3	33%	0.329	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.3	-175.5	-67.4	9.8	0	0	0	109.3	M197 L200 R201 F205 C286	M197-F207 HydrophobicContact CB-CE2 4.22Å; M197-F207 HydrophobicContact CB-CZ 4.45Å; M197-F207 HydrophobicContact CE-CB 4.32Å; M197-F207 HydrophobicContact CE-CD1 4.19Å; M197-F207 HydrophobicContact CE-CD2 3.41Å; M197-F207 VanDerWaalsContact CE-CD2 3.41Å; M197-F207 HydrophobicContact CE-CE1 4.39Å; M197-F207 HydrophobicContact CE-CE2 3.64Å; M197-F207 HydrophobicContact CE-CG 3.72Å; M197-F207 HydrophobicContact CE-CZ 4.14Å; M197-F207 WeakPolarHBondContact O-CZ 3.23Å; L200-F207 HydrophobicContact CB-CE1 4Å; L200-F207 HydrophobicContact CB-CZ 4.31Å; R201-F207 HydrophobicContact CB-CE1 4.48Å; R201-F207 HydrophobicContact CB-CZ 3.77Å; R201-F207 HydrophobicContact CG-CZ 4.42Å; F205-F207 WeakPolarHBondContact O-CD1 3.27Å; F207-C286 WeakPolarHBondContact CA-O 3.42Å; F207-C286 WeakPolarHBondContact CD1-SG 3.16Å; F207-C286 WeakPolarHBondContact CE1-SG 2.97Å
208	V	96.8	Very high	92.8	Very high	22 Å²	22	46.3 Å²	46.3	13%	0.133	26%	0.258	C	S	.	.			trans	-121.6	130.3	179.2	-170.9	0	0	0	0	108.8	V210 L255 L285 C286 A287	V208-V210 HydrophobicContact CB-CG1 4.28Å; V208-V210 HydrophobicContact CG1-CG1 3.83Å; V208-L255 HydrophobicContact CB-CD2 3.79Å; V208-L255 HydrophobicContact CG1-CD2 4.18Å; V208-L255 HydrophobicContact CG2-CD2 4.03Å; V208-L285 HydrophobicContact CG2-CB 4.38Å; V208-L285 HydrophobicContact CG2-CD2 4.12Å; V208-C286 PolarHBondContact N-O 3.17Å; V208-A287 WeakPolarHBondContact O-CA 3.32Å; V208-A287 WeakPolarHBondContact O-CB 2.99Å
209	S	97.6	Very high	92.8	Very high	122 Å²	122	43.2 Å²	43.2	85%	0.853	24%	0.241	S	C	*	.			trans	-85.6	128.9	165.5	-173.5	0	0	0	0	108.5
210	V	98	Very high	92.6	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.115	25%	0.252	C	S	.	.			trans	-125.6	153.1	-169.5	-62.6	0	0	0	0	112.2	V208 A254 L255 A287	V208-V210 HydrophobicContact CB-CG1 4.28Å; V208-V210 HydrophobicContact CG1-CG1 3.83Å; V210-A254 HydrophobicContact CB-CB 3.65Å; V210-A254 HydrophobicContact CG1-CB 4.13Å; V210-A254 HydrophobicContact CG2-CB 3.98Å; V210-L255 HydrophobicContact CG1-CD2 3.87Å; V210-L255 HydrophobicContact CG1-CG 4.21Å; V210-A287 HydrophobicContact CG1-CB 3.86Å; V210-A287 HydrophobicContact CG2-CB 3.89Å
211	P	97.5	Very high	92.6	Very high	78 Å²	78	46.2 Å²	46.2	51%	0.506	25%	0.253	S	S	.	.			trans	-75.5	143	172.1	30.1	-33.9	0	0	0	111.9	L214	P211-L214 HydrophobicContact CG-CD2 3.89Å
212	D	96.5	Very high	92.8	Very high	47 Å²	47	39 Å²	39	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	-86.8	-14.7	173.6	-63	-31.4	0	0	0	112.9	S248 S289 R290 F292	D212-S248 WeakPolarHBondContact O-CB 3.29Å; D212-S248 PolarHBondContact O-N 2.61Å; D212-S289 WeakPolarHBondContact OD1-CB 3.39Å; D212-R290 PolarHBondContact OD1-N 3.24Å; D212-F292 HydrophobicContact CB-CE2 3.92Å
213	I	95.9	Very high	93.2	Very high	87 Å²	87	37.3 Å²	37.3	45%	0.446	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.7	178.1	-60.1	170.4	0	0	0	108.4	I236 Y245 C246 L247	I213-I236 HydrophobicContact CD1-CD1 4.01Å; I213-I236 HydrophobicContact CG1-CD1 4.04Å; I213-I236 HydrophobicContact CG2-CD1 4.15Å; I213-Y245 HydrophobicContact CG2-CD1 3.99Å; I213-Y245 HydrophobicContact CG2-CG 4.24Å; I213-C246 WeakPolarHBondContact CA-O 3.1Å; I213-L247 HydrophobicContact CG1-CD2 3.89Å
214	L	94.3	Very high	93.2	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149	-175.1	-59.7	178	0	0	0	111.4	P211 I219 Y245 C246 M253 A254	P211-L214 HydrophobicContact CG-CD2 3.89Å; L214-I219 HydrophobicContact CB-CD1 4.37Å; L214-I219 HydrophobicContact CB-CG1 4.18Å; L214-I219 HydrophobicContact CD1-CG1 4.42Å; L214-Y245 CarbonylContact O-C 3.55Å; L214-Y245 WeakPolarHBondContact O-CA 3.44Å; L214-C246 PolarHBondContact N-O 3.44Å; L214-C246 PolarHBondContact O-N 2.73Å; L214-M253 HydrophobicContact CD1-CB 3.5Å; L214-M253 VanDerWaalsContact CD1-CB 3.5Å; L214-A254 HydrophobicContact CD1-CB 4.04Å; L214-A254 HydrophobicContact CD2-CB 3.94Å
215	P	92.1	Very high	93.1	Very high	24 Å²	24	42.9 Å²	42.9	16%	0.156	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	138.9	168.2	-24	34.7	0	0	0	111.8	Y34 P217 V218 L243 Y245	Y34-P215 HydrophobicContact CE1-CB 4.06Å; P215-P217 VanDerWaalsContact C-N 3.28Å; P215-V218 HydrophobicContact CB-CG2 4.28Å; P215-V218 HydrophobicContact CG-CG2 4.36Å; P215-V218 PolarHBondContact O-N 2.88Å; P215-L243 HydrophobicContact CB-CD1 4.39Å; P215-L243 HydrophobicContact CB-CD2 4.11Å; P215-L243 HydrophobicContact CB-CG 4.47Å; P215-L243 HydrophobicContact CG-CD2 4.37Å; P215-Y245 HydrophobicContact CG-CD1 4.43Å; P215-Y245 HydrophobicContact CG-CE1 4.07Å
216	E	91.4	Very high	92.5	Very high	21 Å²	21	42.5 Å²	42.5	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-50.6	-40.6	176.5	-174.2	175.9	-171.4	0	0	113.5	V218 I219 R220 T226 K235 T244	E216-V218 VanDerWaalsContact C-N 3.33Å; E216-V218 PolarHBondContact O-N 2.97Å; E216-I219 PolarHBondContact O-N 3.31Å; E216-R220 PolarHBondContact O-N 3.32Å; E216-T226 HydrophobicContact CG-CG2 3.83Å; E216-T226 WeakPolarHBondContact CG-OG1 3.41Å; E216-T226 WeakPolarHBondContact OE1-CB 3.48Å; E216-T226 PolarHBondContact OE1-OG1 2.99Å; E216-K235 VanDerWaalsContact CD-NZ 3.35Å; E216-K235 WeakPolarHBondContact OE1-CE 3.32Å; E216-K235 IonicContact OE1-NZ 3.78Å; E216-K235 PolarHBondContact OE1-NZ 2.87Å; E216-K235 IonicContact OE2-NZ 3.53Å; E216-K235 PolarHBondContact OE2-NZ 2.88Å; E216-T244 HydrophobicContact CB-CG2 4.27Å; E216-T244 PolarHBondContact N-O 3.4Å; E216-T244 VanDerWaalsContact OE2-CB 3.26Å; E216-T244 WeakPolarHBondContact OE2-CB 3.46Å; E216-T244 WeakPolarHBondContact OE2-CG2 2.99Å; E216-T244 PolarHBondContact OE2-OG1 3.14Å
217	P	90	Very high	91.7	Very high	20 Å²	20	45 Å²	45	13%	0.13	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-34.5	178.3	-27.9	38.7	0	0	0	114.6	Y34 F41 P215 R220 A221 L243	Y34-P217 HydrophobicContact CE1-CB 4.38Å; Y34-P217 HydrophobicContact CE1-CG 3.99Å; F41-P217 HydrophobicContact CB-CB 4.43Å; F41-P217 HydrophobicContact CD2-CB 3.6Å; F41-P217 HydrophobicContact CE2-CB 4.18Å; F41-P217 HydrophobicContact CG-CB 4.15Å; P215-P217 VanDerWaalsContact C-N 3.28Å; P217-R220 PolarHBondContact O-N 2.53Å; P217-A221 VanDerWaalsContact O-CB 3.3Å; P217-A221 WeakPolarHBondContact O-CB 3.46Å; P217-A221 PolarHBondContact O-N 2.92Å; P217-L243 HydrophobicContact CG-CD1 4.21Å
218	V	92.7	Very high	90.5	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-42.3	178.1	175.9	0	0	0	0	110.6	F41 P215 E216 A221 C222 M253 L394	F41-V218 HydrophobicContact CZ-CG2 4.36Å; P215-V218 HydrophobicContact CB-CG2 4.28Å; P215-V218 HydrophobicContact CG-CG2 4.36Å; P215-V218 PolarHBondContact O-N 2.88Å; E216-V218 VanDerWaalsContact C-N 3.33Å; E216-V218 PolarHBondContact O-N 2.97Å; V218-A221 WeakPolarHBondContact O-CB 3.32Å; V218-A221 PolarHBondContact O-N 2.97Å; V218-C222 PolarHBondContact O-N 3.47Å; V218-C222 PolarHBondContact O-SG 2.85Å; V218-M253 WeakPolarHBondContact CG1-O 3.49Å; V218-L394 HydrophobicContact CG1-CD2 4.41Å
219	I	93.1	Very high	88.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-44.9	177.4	-61.6	-170.2	0	0	0	110.7	L214 E216 A221 C222 F224 T226 I233 C246 M253	L214-I219 HydrophobicContact CB-CD1 4.37Å; L214-I219 HydrophobicContact CB-CG1 4.18Å; L214-I219 HydrophobicContact CD1-CG1 4.42Å; E216-I219 PolarHBondContact O-N 3.31Å; I219-A221 VanDerWaalsContact C-N 3.3Å; I219-A221 PolarHBondContact O-N 3.25Å; I219-C222 PolarHBondContact O-N 2.98Å; I219-F224 HydrophobicContact CG2-CB 3.69Å; I219-F224 PolarHBondContact O-N 3.13Å; I219-T226 HydrophobicContact CB-CG2 4.04Å; I219-T226 HydrophobicContact CG2-CG2 3.65Å; I219-I233 HydrophobicContact CD1-CD1 4.36Å; I219-I233 HydrophobicContact CD1-CG2 4.33Å; I219-I233 HydrophobicContact CG2-CD1 4.04Å; I219-I233 HydrophobicContact CG2-CG1 4.23Å; I219-C246 HydrophobicContact CD1-CB 3.29Å; I219-C246 HydrophobicContact CG1-CB 4.49Å; I219-M253 HydrophobicContact CB-SD 4.37Å; I219-M253 HydrophobicContact CD1-SD 4.2Å; I219-M253 HydrophobicContact CG1-SD 3.94Å; I219-M253 HydrophobicContact CG2-CE 3.95Å; I219-M253 HydrophobicContact CG2-SD 3.97Å
220	R	91.3	Very high	87.4	Confident	122 Å²	122	56.2 Å²	56.2	46%	0.46	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-40.3	174.6	-75.4	-179	54.7	135.5	0.5	112	E216 P217 C222 G223 T226	E216-R220 PolarHBondContact O-N 3.32Å; P217-R220 PolarHBondContact O-N 2.53Å; R220-C222 PolarHBondContact O-N 2.85Å; R220-G223 PolarHBondContact O-N 3.39Å; R220-T226 WeakPolarHBondContact CD-OG1 3.49Å; R220-T226 HydrophobicContact CG-CG2 3.73Å; R220-T226 WeakPolarHBondContact CG-OG1 3.43Å
221	A	92.8	Very high	86.5	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-28.3	178.5	0	0	0	0	0	112.6	F41 P217 V218 I219 G223 R393 L394	F41-A221 HydrophobicContact CB-CB 4.23Å; F41-A221 HydrophobicContact CD1-CB 3.88Å; F41-A221 HydrophobicContact CG-CB 4.39Å; P217-A221 VanDerWaalsContact O-CB 3.3Å; P217-A221 WeakPolarHBondContact O-CB 3.46Å; P217-A221 PolarHBondContact O-N 2.92Å; V218-A221 WeakPolarHBondContact O-CB 3.32Å; V218-A221 PolarHBondContact O-N 2.97Å; I219-A221 VanDerWaalsContact C-N 3.3Å; I219-A221 PolarHBondContact O-N 3.25Å; A221-G223 PolarHBondContact O-N 3.34Å; A221-R393 HydrophobicContact CB-CB 3.79Å; A221-R393 WeakPolarHBondContact O-CD 3.43Å; A221-L394 HydrophobicContact CB-CD2 3.5Å; A221-L394 HydrophobicContact CB-CG 3.79Å
222	C	94.1	Very high	85.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.9	175.4	-60	0	0	0	0	113.8	V218 I219 R220 F224 M253 S360 Q390	V218-C222 PolarHBondContact O-N 3.47Å; V218-C222 PolarHBondContact O-SG 2.85Å; I219-C222 PolarHBondContact O-N 2.98Å; R220-C222 PolarHBondContact O-N 2.85Å; C222-F224 HydrophobicContact CB-CD2 4.37Å; C222-M253 HydrophobicContact CB-CG 4.11Å; C222-S360 WeakPolarHBondContact O-CB 3.21Å; C222-S360 PolarHBondContact O-OG 3.33Å; C222-Q390 PolarHBondContact O-NE2 3.03Å
223	G	90.5	Very high	85.6	Confident	10 Å²	10	53.3 Å²	53.3	10%	0.103	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	16.1	-179.3	0	0	0	0	0	114.5	R220 A221	R220-G223 PolarHBondContact O-N 3.39Å; A221-G223 PolarHBondContact O-N 3.34Å
224	F	88	Confident	85.4	Confident	66 Å²	66	52.7 Å²	52.7	29%	0.289	27%	0.265	S	S	.	.			trans	-97.8	124.9	177.9	-82.7	-100.9	0	0	0	111.7	I219 C222 T226 M253	I219-F224 HydrophobicContact CG2-CB 3.69Å; I219-F224 PolarHBondContact O-N 3.13Å; C222-F224 HydrophobicContact CB-CD2 4.37Å; F224-T226 PolarHBondContact O-N 3.25Å; F224-M253 HydrophobicContact CB-CE 3.65Å; F224-M253 HydrophobicContact CD1-CE 3.49Å; F224-M253 VanDerWaalsContact CD1-CE 3.49Å; F224-M253 HydrophobicContact CD2-CE 3.19Å; F224-M253 HydrophobicContact CE1-CE 3.84Å; F224-M253 HydrophobicContact CE2-CE 3.55Å; F224-M253 HydrophobicContact CG-CE 3.13Å; F224-M253 HydrophobicContact CZ-CE 3.86Å
225	P	81.9	Confident	85.3	Confident	77 Å²	77	56.2 Å²	56.2	50%	0.5	28%	0.28	S	S	.	.			trans	-71.6	120.2	-179	27.4	-33.6	0	0	0	111.3	S231	P225-S231 WeakPolarHBondContact O-CB 3.22Å; P225-S231 PolarHBondContact O-OG 2.72Å
226	T	80.2	Confident	85.2	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.031	29%	0.289	C	S	.	.			trans	-97.2	-1.1	179.4	62.1	0	0	0	0	113.3	E216 I219 R220 F224 S231 I233 K235	E216-T226 HydrophobicContact CG-CG2 3.83Å; E216-T226 WeakPolarHBondContact CG-OG1 3.41Å; E216-T226 WeakPolarHBondContact OE1-CB 3.48Å; E216-T226 PolarHBondContact OE1-OG1 2.99Å; I219-T226 HydrophobicContact CB-CG2 4.04Å; I219-T226 HydrophobicContact CG2-CG2 3.65Å; R220-T226 WeakPolarHBondContact CD-OG1 3.49Å; R220-T226 HydrophobicContact CG-CG2 3.73Å; R220-T226 WeakPolarHBondContact CG-OG1 3.43Å; F224-T226 PolarHBondContact O-N 3.25Å; T226-S231 WeakPolarHBondContact CA-OG 3.45Å; T226-I233 HydrophobicContact CG2-CG1 4.44Å; T226-K235 WeakPolarHBondContact O-CE 3.05Å; T226-K235 PolarHBondContact O-NZ 3.31Å; T226-K235 VanDerWaalsContact O-NZ 3.09Å
227	Q	76.2	Confident	84.7	Confident	127 Å²	127	62.4 Å²	62.4	59%	0.593	32%	0.316	S	S	*	.	S	Bend	trans	-130.7	162	-177.8	-63.3	-179.2	-1.8	0	0	110.7
228	G	70.6	Confident	84	Confident	64 Å²	64	63.4 Å²	63.4	66%	0.66	32%	0.322	S	S	*	.	S	Bend	trans	88.3	167.1	-179.3	0	0	0	0	0	114.3	R230 S231	G228-R230 PolarHBondContact O-N 2.78Å; G228-S231 WeakPolarHBondContact O-CB 3.5Å; G228-S231 PolarHBondContact O-N 2.84Å; G228-S231 VanDerWaalsContact O-N 3.13Å
229	I	63.1	Low	83.2	Confident	178 Å²	178	69.5 Å²	69.5	91%	0.913	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.5	-173.8	-62.1	167.4	0	0	0	111.8
230	R	66.2	Low	82.2	Confident	213 Å²	213	76.1 Å²	76.1	80%	0.804	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	3.8	-179.2	-59.3	-167.3	-65.3	-177.6	1.2	114.1	G228 Q232	G228-R230 PolarHBondContact O-N 2.78Å; R230-Q232 PolarHBondContact O-N 3.09Å
231	S	78.4	Confident	81.3	Confident	7 Å²	7	72.6 Å²	72.6	5%	0.049	40%	0.396	C	S	.	.			trans	-69.6	123.2	-180	-177.6	0	0	0	0	111	P225 T226 G228 I233 K294	P225-S231 WeakPolarHBondContact O-CB 3.22Å; P225-S231 PolarHBondContact O-OG 2.72Å; T226-S231 WeakPolarHBondContact CA-OG 3.45Å; G228-S231 WeakPolarHBondContact O-CB 3.5Å; G228-S231 PolarHBondContact O-N 2.84Å; G228-S231 VanDerWaalsContact O-N 3.13Å; S231-I233 VanDerWaalsContact C-N 3.27Å; S231-I233 PolarHBondContact O-N 3.3Å; S231-I233 PolarHBondContact OG-N 2.83Å; S231-K294 VanDerWaalsContact O-CD 3.32Å; S231-K294 WeakPolarHBondContact O-CD 3.31Å
232	Q	84	Confident	80.6	Confident	71 Å²	71	81.3 Å²	81.3	33%	0.332	43%	0.434	S	S	.	.			trans	-84.6	3.4	178.9	-62.5	-61.2	89.8	0	0	113.6	R230 R293 K294 E295	R230-Q232 PolarHBondContact O-N 3.09Å; Q232-R293 WeakPolarHBondContact O-CA 3.33Å; Q232-K294 PolarHBondContact O-N 3.47Å; Q232-E295 PolarHBondContact NE2-OE2 3.35Å
233	I	90.5	Very high	80.1	Confident	5 Å²	5	82.3 Å²	82.3	3%	0.026	44%	0.439	C	S	.	.			trans	-93.2	130.5	-170.9	-61.2	-63	0	0	0	111.7	I219 T226 S231 C246 K294	I219-I233 HydrophobicContact CD1-CD1 4.36Å; I219-I233 HydrophobicContact CD1-CG2 4.33Å; I219-I233 HydrophobicContact CG2-CD1 4.04Å; I219-I233 HydrophobicContact CG2-CG1 4.23Å; T226-I233 HydrophobicContact CG2-CG1 4.44Å; S231-I233 VanDerWaalsContact C-N 3.27Å; S231-I233 PolarHBondContact O-N 3.3Å; S231-I233 PolarHBondContact OG-N 2.83Å; I233-C246 HydrophobicContact CG2-CB 3.53Å; I233-K294 WeakPolarHBondContact O-CD 3.23Å; I233-K294 WeakPolarHBondContact O-CE 3.44Å; I233-K294 PolarHBondContact O-NZ 3.43Å
234	Y	92.2	Very high	80.1	Confident	74 Å²	74	83.6 Å²	83.6	29%	0.29	45%	0.445	S	S	.	.			trans	-80.6	134.3	166	-65.3	-83.1	0	0	0	110.1	C246 L247 F292 R293 K294 H307	Y234-C246 CarbonylContact O-C 3.48Å; Y234-C246 VanDerWaalsContact O-CA 3.22Å; Y234-C246 WeakPolarHBondContact O-CA 3.46Å; Y234-L247 HydrophobicContact CD2-CD1 4.41Å; Y234-L247 HydrophobicContact CG-CD1 4.28Å; Y234-L247 PolarHBondContact O-N 2.75Å; Y234-F292 HydrophobicContact CD2-CB 3.94Å; Y234-F292 HydrophobicContact CE2-CB 4.3Å; Y234-R293 VanDerWaalsContact CE2-C 3.4Å; Y234-R293 WeakPolarHBondContact CE2-O 3.37Å; Y234-R293 PolarHBondContact OH-O 3.33Å; Y234-K294 HydrophobicContact CD1-CG 3.93Å; Y234-K294 HydrophobicContact CD2-CG 4.25Å; Y234-K294 HydrophobicContact CE1-CG 3.75Å; Y234-K294 HydrophobicContact CE2-CG 4.1Å; Y234-K294 HydrophobicContact CG-CG 4.18Å; Y234-H307 PolarHBondContact OH-ND1 3.29Å; Y234-H307 VanDerWaalsContact OH-ND1 3.11Å
235	K	91.7	Very high	80.3	Confident	85 Å²	85	83 Å²	83	37%	0.37	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.3	178.5	-65.6	-173.4	170.5	-160.9	0	110.2	E216 T226 T244 Y245	E216-K235 VanDerWaalsContact CD-NZ 3.35Å; E216-K235 WeakPolarHBondContact OE1-CE 3.32Å; E216-K235 IonicContact OE1-NZ 3.78Å; E216-K235 PolarHBondContact OE1-NZ 2.87Å; E216-K235 IonicContact OE2-NZ 3.53Å; E216-K235 PolarHBondContact OE2-NZ 2.88Å; T226-K235 WeakPolarHBondContact O-CE 3.05Å; T226-K235 PolarHBondContact O-NZ 3.31Å; T226-K235 VanDerWaalsContact O-NZ 3.09Å; K235-T244 HydrophobicContact CB-CG2 4.2Å; K235-T244 HydrophobicContact CD-CG2 4.04Å; K235-T244 HydrophobicContact CG-CG2 4.2Å; K235-Y245 CarbonylContact C-O 3.56Å; K235-Y245 WeakPolarHBondContact CA-O 3.04Å
236	I	89.9	Confident	80.9	Confident	67 Å²	67	79.3 Å²	79.3	34%	0.344	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.4	170.7	-55.9	175.3	0	0	0	105.8	I213 P238 Y245 L247	I213-I236 HydrophobicContact CD1-CD1 4.01Å; I213-I236 HydrophobicContact CG1-CD1 4.04Å; I213-I236 HydrophobicContact CG2-CD1 4.15Å; I236-P238 WeakPolarHBondContact O-CD 3.11Å; I236-Y245 PolarHBondContact N-O 3.25Å; I236-Y245 PolarHBondContact O-N 3.01Å; I236-Y245 VanDerWaalsContact O-N 3.15Å; I236-L247 HydrophobicContact CD1-CD2 3.88Å; I236-L247 HydrophobicContact CD1-CG 4.01Å; I236-L247 HydrophobicContact CG1-CG 4.42Å
237	T	81.1	Confident	81.6	Confident	108 Å²	108	80.7 Å²	80.7	66%	0.663	42%	0.424	S	S	*	.			trans	-101.3	94.6	177	-55.9	0	0	0	0	108.4
238	P	75	Confident	82.5	Confident	40 Å²	40	74.8 Å²	74.8	26%	0.26	40%	0.397	S	S	.	.			trans	-65	148.9	174.3	30.2	-39.8	0	0	0	110.7	I236 V240 S241 Y245	I236-P238 WeakPolarHBondContact O-CD 3.11Å; P238-V240 VanDerWaalsContact C-N 3.26Å; P238-V240 PolarHBondContact O-N 3.32Å; P238-V240 VanDerWaalsContact O-N 3.17Å; P238-S241 VanDerWaalsContact CG-CB 3.45Å; P238-Y245 HydrophobicContact CG-CD2 4.41Å
239	P	75.9	Confident	83.6	Confident	139 Å²	139	71.9 Å²	71.9	90%	0.903	37%	0.367	S	S	*	.	S	Bend	trans	-62.2	-28.2	-173.9	-22.7	31.9	0	0	0	115
240	V	72	Confident	85.2	Confident	138 Å²	138	63.5 Å²	63.5	84%	0.836	32%	0.324	S	S	*	.	S	Bend	trans	-113.7	-15.2	-168.1	-168.2	0	0	0	0	113.1	P238	P238-V240 VanDerWaalsContact C-N 3.26Å; P238-V240 PolarHBondContact O-N 3.32Å; P238-V240 VanDerWaalsContact O-N 3.17Å
241	S	72.7	Confident	86.6	Confident	49 Å²	49	53.4 Å²	53.4	34%	0.343	29%	0.286	S	S	.	.			trans	-90.9	133.2	-177.7	179.7	0	0	0	0	111.3	P238 L243	P238-S241 VanDerWaalsContact CG-CB 3.45Å; S241-L243 PolarHBondContact O-N 3.38Å; S241-L243 WeakPolarHBondContact OG-CB 3.42Å; S241-L243 PolarHBondContact OG-N 3.4Å; S241-L243 PolarHBondContact OG-O 2.94Å
242	K	78.2	Confident	87.6	Confident	185 Å²	185	53.4 Å²	53.4	80%	0.804	29%	0.285	S	S	*	.	S	Bend	trans	-69.8	-18	167.9	-64.8	-179.5	177.5	-179.9	0	112.6
243	L	84.6	Confident	88.2	Confident	21 Å²	21	50 Å²	50	11%	0.11	27%	0.269	C	S	.	.	S	Bend	trans	-91.2	121	179.4	-176.4	59.8	0	0	0	110.7	Y34 P215 P217 S241 Y245	Y34-L243 HydrophobicContact CD1-CD1 3.72Å; Y34-L243 HydrophobicContact CD1-CD2 3.55Å; Y34-L243 HydrophobicContact CD1-CG 4.26Å; Y34-L243 HydrophobicContact CE1-CD1 3.83Å; Y34-L243 HydrophobicContact CE1-CD2 3.85Å; Y34-L243 HydrophobicContact CG-CD2 4.31Å; P215-L243 HydrophobicContact CB-CD1 4.39Å; P215-L243 HydrophobicContact CB-CD2 4.11Å; P215-L243 HydrophobicContact CB-CG 4.47Å; P215-L243 HydrophobicContact CG-CD2 4.37Å; P217-L243 HydrophobicContact CG-CD1 4.21Å; S241-L243 PolarHBondContact O-N 3.38Å; S241-L243 WeakPolarHBondContact OG-CB 3.42Å; S241-L243 PolarHBondContact OG-N 3.4Å; S241-L243 PolarHBondContact OG-O 2.94Å; L243-Y245 HydrophobicContact CB-CE2 4.35Å; L243-Y245 HydrophobicContact CD2-CE1 4.47Å; L243-Y245 HydrophobicContact CD2-CE2 4.26Å; L243-Y245 HydrophobicContact CG-CE2 4.25Å; L243-Y245 WeakPolarHBondContact O-CD2 3.21Å
244	T	89	Confident	88.5	Confident	36 Å²	36	50 Å²	50	22%	0.221	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-72.3	130.3	169.8	-53.9	0	0	0	0	110.2	E216 K235	E216-T244 HydrophobicContact CB-CG2 4.27Å; E216-T244 PolarHBondContact N-O 3.4Å; E216-T244 VanDerWaalsContact OE2-CB 3.26Å; E216-T244 WeakPolarHBondContact OE2-CB 3.46Å; E216-T244 WeakPolarHBondContact OE2-CG2 2.99Å; E216-T244 PolarHBondContact OE2-OG1 3.14Å; K235-T244 HydrophobicContact CB-CG2 4.2Å; K235-T244 HydrophobicContact CD-CG2 4.04Å; K235-T244 HydrophobicContact CG-CG2 4.2Å
245	Y	92.4	Very high	88.8	Confident	54 Å²	54	46.5 Å²	46.5	21%	0.212	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	157.5	168.4	-69.9	-92	0	0	0	110	H31 I213 L214 P215 K235 I236 P238 L243	H31-Y245 PolarHBondContact CE1-OH 3.38Å; I213-Y245 HydrophobicContact CG2-CD1 3.99Å; I213-Y245 HydrophobicContact CG2-CG 4.24Å; L214-Y245 CarbonylContact O-C 3.55Å; L214-Y245 WeakPolarHBondContact O-CA 3.44Å; P215-Y245 HydrophobicContact CG-CD1 4.43Å; P215-Y245 HydrophobicContact CG-CE1 4.07Å; K235-Y245 CarbonylContact C-O 3.56Å; K235-Y245 WeakPolarHBondContact CA-O 3.04Å; I236-Y245 PolarHBondContact N-O 3.25Å; I236-Y245 PolarHBondContact O-N 3.01Å; I236-Y245 VanDerWaalsContact O-N 3.15Å; P238-Y245 HydrophobicContact CG-CD2 4.41Å; L243-Y245 HydrophobicContact CB-CE2 4.35Å; L243-Y245 HydrophobicContact CD2-CE1 4.47Å; L243-Y245 HydrophobicContact CD2-CE2 4.26Å; L243-Y245 HydrophobicContact CG-CE2 4.25Å; L243-Y245 WeakPolarHBondContact O-CD2 3.21Å
246	C	94.4	Very high	89.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.7	-176.3	-69.4	0	0	0	0	109.7	I213 L214 I219 I233 Y234	I213-C246 WeakPolarHBondContact CA-O 3.1Å; L214-C246 PolarHBondContact N-O 3.44Å; L214-C246 PolarHBondContact O-N 2.73Å; I219-C246 HydrophobicContact CD1-CB 3.29Å; I219-C246 HydrophobicContact CG1-CB 4.49Å; I233-C246 HydrophobicContact CG2-CB 3.53Å; Y234-C246 CarbonylContact O-C 3.48Å; Y234-C246 VanDerWaalsContact O-CA 3.22Å; Y234-C246 WeakPolarHBondContact O-CA 3.46Å
247	L	95.6	Very high	89.3	Confident	34 Å²	34	40.1 Å²	40.1	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.6	166.8	-65.1	169.8	0	0	0	109	I213 Y234 I236 F292	I213-L247 HydrophobicContact CG1-CD2 3.89Å; Y234-L247 HydrophobicContact CD2-CD1 4.41Å; Y234-L247 HydrophobicContact CG-CD1 4.28Å; Y234-L247 PolarHBondContact O-N 2.75Å; I236-L247 HydrophobicContact CD1-CD2 3.88Å; I236-L247 HydrophobicContact CD1-CG 4.01Å; I236-L247 HydrophobicContact CG1-CG 4.42Å; L247-F292 HydrophobicContact CB-CB 3.66Å; L247-F292 HydrophobicContact CB-CD1 4.35Å; L247-F292 HydrophobicContact CB-CD2 3.83Å; L247-F292 HydrophobicContact CB-CG 3.7Å; L247-F292 HydrophobicContact CD1-CB 4.33Å; L247-F292 HydrophobicContact CD1-CD1 3.78Å; L247-F292 HydrophobicContact CD1-CE1 4.18Å; L247-F292 HydrophobicContact CD1-CG 4.01Å; L247-F292 HydrophobicContact CD2-CD2 4.23Å; L247-F292 HydrophobicContact CD2-CE1 4.42Å; L247-F292 HydrophobicContact CD2-CE2 4.18Å; L247-F292 HydrophobicContact CD2-CG 4.42Å; L247-F292 HydrophobicContact CD2-CZ 4.26Å; L247-F292 HydrophobicContact CG-CD1 4.46Å; L247-F292 HydrophobicContact CG-CD2 4.46Å; L247-F292 HydrophobicContact CG-CG 4.27Å
248	S	95.3	Very high	90	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.021	21%	0.214	C	C	.	.			trans	-72.7	138.5	-175.1	-169.1	0	0	0	0	112.2	D212 T250 M253 F292	D212-S248 WeakPolarHBondContact O-CB 3.29Å; D212-S248 PolarHBondContact O-N 2.61Å; S248-T250 VanDerWaalsContact C-N 3.32Å; S248-T250 PolarHBondContact OG-N 2.73Å; S248-T250 PolarHBondContact OG-O 3.33Å; S248-M253 PolarHBondContact OG-SD 3.3Å; S248-M253 VanDerWaalsContact OG-SD 3.33Å; S248-F292 PolarHBondContact O-N 2.95Å
249	G	93.7	Very high	90.9	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	-84.5	-7.2	173	0	0	0	0	0	113.9	F292	G249-F292 WeakPolarHBondContact CA-O 3.45Å
250	T	96	Very high	91.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	16%	0.162	C	C	.	.			trans	-169.1	147.7	-179.6	174.7	0	0	0	0	112.3	S248 E252 M253 K311 E313	S248-T250 VanDerWaalsContact C-N 3.32Å; S248-T250 PolarHBondContact OG-N 2.73Å; S248-T250 PolarHBondContact OG-O 3.33Å; T250-E252 HydrophobicContact CG2-CB 3.69Å; T250-E252 PolarHBondContact O-N 3.17Å; T250-E252 PolarHBondContact OG1-N 2.96Å; T250-M253 HydrophobicContact CG2-CE 3.97Å; T250-M253 HydrophobicContact CG2-CG 3.95Å; T250-M253 HydrophobicContact CG2-SD 4.14Å; T250-M253 PolarHBondContact O-N 3.49Å; T250-K311 VanDerWaalsContact CB-NZ 3.3Å; T250-K311 WeakPolarHBondContact OG1-CE 3.14Å; T250-K311 PolarHBondContact OG1-NZ 2.79Å; T250-E313 PolarHBondContact OG1-OE2 2.88Å
251	S	97	Very high	92.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-16.1	168.4	27.7	0	0	0	0	114.1	M253 A254 L255 A287 S289 E313	S251-M253 PolarHBondContact O-N 2.94Å; S251-A254 PolarHBondContact O-N 2.85Å; S251-A254 VanDerWaalsContact O-N 3.1Å; S251-L255 WeakPolarHBondContact O-CB 3.12Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.44Å; S251-L255 PolarHBondContact O-N 3.3Å; S251-A287 PolarHBondContact OG-O 2.92Å; S251-A287 VanDerWaalsContact OG-O 3.11Å; S251-S289 WeakPolarHBondContact CB-OG 2.95Å; S251-S289 PolarHBondContact N-OG 3.33Å; S251-S289 PolarHBondContact OG-OG 3.47Å; S251-E313 WeakPolarHBondContact OG-CB 3.4Å
252	E	97.9	Very high	93.4	Very high	7 Å²	7	24.6 Å²	24.6	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-51.3	-46.5	171.7	178	-162.8	150.1	0	0	111.1	T250 A254 L255 A256 E313 F315 Q390 N412	T250-E252 HydrophobicContact CG2-CB 3.69Å; T250-E252 PolarHBondContact O-N 3.17Å; T250-E252 PolarHBondContact OG1-N 2.96Å; E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 3.37Å; E252-L255 PolarHBondContact O-N 3.35Å; E252-A256 VanDerWaalsContact O-CB 3.28Å; E252-A256 WeakPolarHBondContact O-CB 3.19Å; E252-A256 PolarHBondContact O-N 2.95Å; E252-E313 HydrophobicContact CB-CG 4Å; E252-F315 HydrophobicContact CG-CD2 3.94Å; E252-F315 HydrophobicContact CG-CE2 4.22Å; E252-Q390 PolarHBondContact OE1-NE2 3.09Å; E252-N412 HydrophobicContact CG-CB 3.82Å; E252-N412 PolarHBondContact OE2-ND2 3.45Å
253	M	96.8	Very high	94	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.9	-37.6	-178.7	-63	163.1	-180	0	0	111.9	L214 V218 I219 C222 F224 S248 T250 S251 G257	L214-M253 HydrophobicContact CD1-CB 3.5Å; L214-M253 VanDerWaalsContact CD1-CB 3.5Å; V218-M253 WeakPolarHBondContact CG1-O 3.49Å; I219-M253 HydrophobicContact CB-SD 4.37Å; I219-M253 HydrophobicContact CD1-SD 4.2Å; I219-M253 HydrophobicContact CG1-SD 3.94Å; I219-M253 HydrophobicContact CG2-CE 3.95Å; I219-M253 HydrophobicContact CG2-SD 3.97Å; C222-M253 HydrophobicContact CB-CG 4.11Å; F224-M253 HydrophobicContact CB-CE 3.65Å; F224-M253 HydrophobicContact CD1-CE 3.49Å; F224-M253 VanDerWaalsContact CD1-CE 3.49Å; F224-M253 HydrophobicContact CD2-CE 3.19Å; F224-M253 HydrophobicContact CE1-CE 3.84Å; F224-M253 HydrophobicContact CE2-CE 3.55Å; F224-M253 HydrophobicContact CG-CE 3.13Å; F224-M253 HydrophobicContact CZ-CE 3.86Å; S248-M253 PolarHBondContact OG-SD 3.3Å; S248-M253 VanDerWaalsContact OG-SD 3.33Å; T250-M253 HydrophobicContact CG2-CE 3.97Å; T250-M253 HydrophobicContact CG2-CG 3.95Å; T250-M253 HydrophobicContact CG2-SD 4.14Å; T250-M253 PolarHBondContact O-N 3.49Å; S251-M253 PolarHBondContact O-N 2.94Å; M253-G257 PolarHBondContact O-N 3.07Å
254	A	97.9	Very high	94.2	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.041	8%	0.084	C	C	.	.	H	α-helix	trans	-75.4	-36.7	179.9	0	0	0	0	0	111.6	V210 L214 S251 E252 G257 F258	V210-A254 HydrophobicContact CB-CB 3.65Å; V210-A254 HydrophobicContact CG1-CB 4.13Å; V210-A254 HydrophobicContact CG2-CB 3.98Å; L214-A254 HydrophobicContact CD1-CB 4.04Å; L214-A254 HydrophobicContact CD2-CB 3.94Å; S251-A254 PolarHBondContact O-N 2.85Å; S251-A254 VanDerWaalsContact O-N 3.1Å; E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 3.37Å; A254-G257 PolarHBondContact O-N 3.1Å; A254-F258 WeakPolarHBondContact O-CB 3.49Å; A254-F258 PolarHBondContact O-N 2.93Å
255	L	98.3	Very high	93.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.6	-44.2	173.3	-70.6	170.7	0	0	0	111.1	V208 V210 S251 E252 G257 F258 C259 L285 A287 F315	V208-L255 HydrophobicContact CB-CD2 3.79Å; V208-L255 HydrophobicContact CG1-CD2 4.18Å; V208-L255 HydrophobicContact CG2-CD2 4.03Å; V210-L255 HydrophobicContact CG1-CD2 3.87Å; V210-L255 HydrophobicContact CG1-CG 4.21Å; S251-L255 WeakPolarHBondContact O-CB 3.12Å; S251-L255 VanDerWaalsContact O-CG 3.3Å; S251-L255 WeakPolarHBondContact O-CG 3.44Å; S251-L255 PolarHBondContact O-N 3.3Å; E252-L255 PolarHBondContact O-N 3.35Å; L255-G257 VanDerWaalsContact C-N 3.33Å; L255-G257 PolarHBondContact O-N 2.78Å; L255-F258 WeakPolarHBondContact O-CB 3.13Å; L255-F258 PolarHBondContact O-N 3.19Å; L255-C259 PolarHBondContact O-N 3.49Å; L255-C259 PolarHBondContact O-SG 2.81Å; L255-L285 HydrophobicContact CD1-CB 4.47Å; L255-L285 HydrophobicContact CD2-CB 3.95Å; L255-L285 HydrophobicContact CD2-CD1 4.23Å; L255-A287 HydrophobicContact CD1-CB 4.04Å; L255-A287 HydrophobicContact CD2-CB 4.14Å; L255-A287 HydrophobicContact CG-CB 4.23Å; L255-F315 HydrophobicContact CB-CB 3.93Å; L255-F315 HydrophobicContact CB-CD1 4.05Å; L255-F315 HydrophobicContact CB-CG 4.02Å; L255-F315 HydrophobicContact CD1-CB 3.58Å; L255-F315 HydrophobicContact CG-CB 4.37Å
256	A	97	Very high	92.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-42.9	173.7	0	0	0	0	0	111	E252 F258 C259 A260 F315 L394	E252-A256 VanDerWaalsContact O-CB 3.28Å; E252-A256 WeakPolarHBondContact O-CB 3.19Å; E252-A256 PolarHBondContact O-N 2.95Å; A256-F258 PolarHBondContact O-N 2.99Å; A256-C259 CarbonylContact O-C 3.56Å; A256-C259 PolarHBondContact O-N 2.8Å; A256-C259 VanDerWaalsContact O-N 3.16Å; A256-A260 PolarHBondContact O-N 3.23Å; A256-F315 HydrophobicContact CB-CE1 4.44Å; A256-F315 HydrophobicContact CB-CE2 4.13Å; A256-F315 HydrophobicContact CB-CZ 3.83Å; A256-L394 HydrophobicContact CB-CD1 3.5Å
257	G	94.6	Very high	90.7	Very high	18 Å²	18	17 Å²	17	19%	0.186	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-39	172.3	0	0	0	0	0	113.7	M253 A254 L255 C259 A260	M253-G257 PolarHBondContact O-N 3.07Å; A254-G257 PolarHBondContact O-N 3.1Å; L255-G257 VanDerWaalsContact C-N 3.33Å; L255-G257 PolarHBondContact O-N 2.78Å; G257-C259 PolarHBondContact O-N 3.41Å; G257-A260 VanDerWaalsContact O-CB 3.25Å; G257-A260 WeakPolarHBondContact O-CB 3.48Å; G257-A260 PolarHBondContact O-N 2.61Å
258	F	94.8	Very high	88.3	Confident	69 Å²	69	18.3 Å²	18.3	30%	0.303	11%	0.111	S	C	.	.	H	α-helix	trans	-61.9	-33.1	173.8	172.9	-101.9	0	0	0	112	F21 A254 L255 A256 R262 L285	F21-F258 AromaticContact CE1-CE1 3.79Å; F21-F258 HydrophobicContact CE1-CE1 3.79Å; F21-F258 HydrophobicContact CE1-CZ 4.26Å; F21-F258 HydrophobicContact CZ-CE1 4.15Å; F21-F258 HydrophobicContact CZ-CZ 4.45Å; A254-F258 WeakPolarHBondContact O-CB 3.49Å; A254-F258 PolarHBondContact O-N 2.93Å; L255-F258 WeakPolarHBondContact O-CB 3.13Å; L255-F258 PolarHBondContact O-N 3.19Å; A256-F258 PolarHBondContact O-N 2.99Å; F258-R262 PolarHBondContact O-NE 3.42Å; F258-R262 VanDerWaalsContact O-NE 3.12Å; F258-R262 PolarHBondContact O-NH1 3.23Å; F258-R262 PolarHBondContact O-NH2 2.89Å; F258-L285 HydrophobicContact CD1-CD1 4.17Å; F258-L285 HydrophobicContact CE1-CD1 4.41Å
259	C	95.2	Very high	85.7	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-85.9	-10.8	178	-63.1	0	0	0	0	113.8	L255 A256 G257 G261 R262 F264 I317 I396	L255-C259 PolarHBondContact O-N 3.49Å; L255-C259 PolarHBondContact O-SG 2.81Å; A256-C259 CarbonylContact O-C 3.56Å; A256-C259 PolarHBondContact O-N 2.8Å; A256-C259 VanDerWaalsContact O-N 3.16Å; G257-C259 PolarHBondContact O-N 3.41Å; C259-G261 PolarHBondContact O-N 2.85Å; C259-R262 WeakPolarHBondContact O-CB 3.39Å; C259-R262 PolarHBondContact O-N 2.77Å; C259-R262 VanDerWaalsContact O-N 3.15Å; C259-F264 HydrophobicContact CB-CE2 4.07Å; C259-F264 HydrophobicContact CB-CZ 3.93Å; C259-I317 HydrophobicContact CB-CD1 3.68Å; C259-I317 WeakPolarHBondContact SG-CD1 3.17Å; C259-I396 HydrophobicContact CB-CD1 3.93Å; C259-I396 HydrophobicContact CB-CG1 4.24Å; C259-I396 HydrophobicContact CB-CG2 4.46Å
260	A	92.4	Very high	83.1	Confident	8 Å²	8	30.8 Å²	30.8	7%	0.066	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	134.8	-174.5	0	0	0	0	0	112.6	A256 G257 R262 L394	A256-A260 PolarHBondContact O-N 3.23Å; G257-A260 VanDerWaalsContact O-CB 3.25Å; G257-A260 WeakPolarHBondContact O-CB 3.48Å; G257-A260 PolarHBondContact O-N 2.61Å; A260-R262 PolarHBondContact O-N 3.12Å; A260-L394 CarbonylContact C-O 3.55Å; A260-L394 WeakPolarHBondContact CA-O 3.34Å; A260-L394 HydrophobicContact CB-CB 4.09Å; A260-L394 HydrophobicContact CB-CD2 4.2Å
261	G	88.9	Confident	80.7	Confident	12 Å²	12	37.8 Å²	37.8	12%	0.124	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	3.9	-178.9	0	0	0	0	0	115.6	C259 L394 N395	C259-G261 PolarHBondContact O-N 2.85Å; G261-L394 PolarHBondContact N-O 2.83Å; G261-N395 WeakPolarHBondContact CA-O 3.49Å; G261-N395 PolarHBondContact N-O 3.39Å
262	R	90.8	Very high	78.1	Confident	59 Å²	59	42.4 Å²	42.4	22%	0.223	23%	0.234	C	C	.	.			trans	-94.3	151.7	179.1	-57.9	-175.6	-177.6	172.1	4.8	111.5	F258 C259 A260 F264 R397	F258-R262 PolarHBondContact O-NE 3.42Å; F258-R262 VanDerWaalsContact O-NE 3.12Å; F258-R262 PolarHBondContact O-NH1 3.23Å; F258-R262 PolarHBondContact O-NH2 2.89Å; C259-R262 WeakPolarHBondContact O-CB 3.39Å; C259-R262 PolarHBondContact O-N 2.77Å; C259-R262 VanDerWaalsContact O-N 3.15Å; A260-R262 PolarHBondContact O-N 3.12Å; R262-F264 HydrophobicContact CB-CE2 3.87Å; R262-F264 HydrophobicContact CB-CZ 4.06Å; R262-R397 PolarHBondContact O-N 3.37Å
263	S	90.5	Very high	75.3	Confident	16 Å²	16	50.6 Å²	50.6	11%	0.112	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.2	168	-173.8	0	0	0	0	109.2	R397 N405	S263-R397 WeakPolarHBondContact CA-O 3.15Å; S263-N405 PolarHBondContact OG-OD1 3.16Å
264	F	89.2	Confident	72.4	Confident	3 Å²	3	55.6 Å²	55.6	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.6	-179.9	-63.1	-89.5	0	0	0	109.7	F21 C259 R262 L283 I317 I396 R397 W398 Q399	F21-F264 HydrophobicContact CD1-CE1 4.14Å; F21-F264 HydrophobicContact CE1-CE1 4.13Å; C259-F264 HydrophobicContact CB-CE2 4.07Å; C259-F264 HydrophobicContact CB-CZ 3.93Å; R262-F264 HydrophobicContact CB-CE2 3.87Å; R262-F264 HydrophobicContact CB-CZ 4.06Å; F264-L283 HydrophobicContact CD1-CD2 3.62Å; F264-L283 HydrophobicContact CE1-CD2 3.4Å; F264-L283 VanDerWaalsContact CE1-CD2 3.4Å; F264-L283 HydrophobicContact CZ-CD2 4.35Å; F264-I317 HydrophobicContact CD2-CD1 4.22Å; F264-I317 HydrophobicContact CD2-CG2 4.22Å; F264-I317 HydrophobicContact CE1-CD1 4.33Å; F264-I317 HydrophobicContact CE2-CD1 3.68Å; F264-I317 HydrophobicContact CZ-CD1 3.73Å; F264-I396 HydrophobicContact CD2-CG2 4.09Å; F264-I396 HydrophobicContact CE2-CG2 3.82Å; F264-R397 PolarHBondContact N-O 2.74Å; F264-W398 HydrophobicContact CB-CD2 4.27Å; F264-W398 HydrophobicContact CB-CE3 3.56Å; F264-W398 HydrophobicContact CB-CZ3 3.7Å; F264-W398 CarbonylContact O-C 3.56Å; F264-W398 WeakPolarHBondContact O-CA 3.46Å; F264-Q399 PolarHBondContact O-N 3.19Å
265	N	82.5	Confident	69.6	Low	22 Å²	22	59 Å²	59	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	163.2	179.1	67.1	19.4	0	0	0	112.3	C19 T267 Q399	C19-N265 PolarHBondContact SG-O 2.93Å; N265-T267 PolarHBondContact O-N 2.86Å; N265-Q399 HydrophobicContact CB-CB 3.99Å
266	C	67	Low	66.8	Low	47 Å²	47	67.4 Å²	67.4	32%	0.318	36%	0.361	S	S	.	.			trans	-84.2	92.7	169.6	-55.9	0	0	0	0	108.6	S280	C266-S280 PolarHBondContact SG-O 2.91Å
267	T	53.6	Low	64.3	Low	50 Å²	50	72 Å²	72	31%	0.307	39%	0.394	S	S	.	.			trans	-93.1	105.9	158.1	48	0	0	0	0	108	P18 N265	P18-T267 WeakPolarHBondContact CB-O 3.19Å; P18-T267 WeakPolarHBondContact CG-O 3.34Å; P18-T267 PolarHBondContact O-OG1 2.75Å; N265-T267 PolarHBondContact O-N 2.86Å
268	S	45.8	Very low	61.9	Low	61 Å²	61	74.5 Å²	74.5	43%	0.427	40%	0.403	S	S	.	.			trans	-55.8	140.8	143.9	42.5	0	0	0	0	106.4	K270	S268-K270 PolarHBondContact O-N 3.24Å
269	S	39.7	Very low	59.7	Low	60 Å²	60	75.6 Å²	75.6	42%	0.42	41%	0.409	S	S	.	.			trans	-46.7	132.1	165.7	179.2	0	0	0	0	107.1	N271 D272	S269-N271 PolarHBondContact O-N 3.2Å; S269-D272 WeakPolarHBondContact CB-OD2 3.41Å; S269-D272 PolarHBondContact O-N 3.01Å
270	K	38.3	Very low	58	Low	206 Å²	206	76.3 Å²	76.3	90%	0.896	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-9.8	-179.1	-83.5	-173.8	174.2	-177.1	0	114.1	S268	S268-K270 PolarHBondContact O-N 3.24Å
271	N	45.9	Very low	57.4	Low	149 Å²	149	77.9 Å²	77.9	80%	0.797	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-3	-179.4	-60.7	-7.5	0	0	0	114	S269	S269-N271 PolarHBondContact O-N 3.2Å
272	D	42.5	Very low	57.4	Low	98 Å²	98	77.6 Å²	77.6	52%	0.524	42%	0.421	S	S	.	.	S	Bend	trans	-92.3	125.7	173.2	-65.4	-32.3	0	0	0	108.1	S269	S269-D272 WeakPolarHBondContact CB-OD2 3.41Å; S269-D272 PolarHBondContact O-N 3.01Å
273	E	38.6	Very low	57.4	Low	179 Å²	179	74.9 Å²	74.9	84%	0.836	41%	0.411	S	S	*	.			trans	-49.5	140.7	167.5	-82	-175.5	161	0	0	109.5	D275	E273-D275 PolarHBondContact O-N 3.29Å
274	P	36	Very low	57.6	Low	105 Å²	105	74.1 Å²	74.1	68%	0.682	41%	0.405	S	S	*	.			trans	-68.1	83.8	177.9	28.9	-33.4	0	0	0	109.4	E276	P274-E276 PolarHBondContact O-N 2.99Å
275	D	40	Very low	58	Low	76 Å²	76	74 Å²	74	41%	0.406	41%	0.405	S	S	.	.			trans	-75.8	102.3	164.3	-179.5	4.1	0	0	0	106.5	E273 S277 N278	E273-D275 PolarHBondContact O-N 3.29Å; D275-S277 PolarHBondContact O-N 3.47Å; D275-S277 WeakPolarHBondContact OD1-CB 3.39Å; D275-S277 PolarHBondContact OD1-N 2.95Å; D275-S277 PolarHBondContact OD1-OG 3.5Å; D275-S277 PolarHBondContact OD2-OG 2.93Å; D275-N278 HydrophobicContact CB-CB 3.95Å; D275-N278 WeakPolarHBondContact O-CA 3.4Å; D275-N278 PolarHBondContact O-N 2.72Å; D275-N278 PolarHBondContact OD2-ND2 2.84Å
276	E	39.5	Very low	58.7	Low	177 Å²	177	73 Å²	73	83%	0.827	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-52.9	-24.8	178.2	-81.8	-169.9	159.9	0	0	112.1	P274 N278	P274-E276 PolarHBondContact O-N 2.99Å; E276-N278 VanDerWaalsContact C-N 3.28Å; E276-N278 PolarHBondContact O-N 3.1Å
277	S	44.2	Very low	60.2	Low	98 Å²	98	70.8 Å²	70.8	69%	0.685	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-76.7	-10.9	175.7	77.8	0	0	0	0	114.3	D275	D275-S277 PolarHBondContact O-N 3.47Å; D275-S277 WeakPolarHBondContact OD1-CB 3.39Å; D275-S277 PolarHBondContact OD1-N 2.95Å; D275-S277 PolarHBondContact OD1-OG 3.5Å; D275-S277 PolarHBondContact OD2-OG 2.93Å
278	N	43.6	Very low	62.3	Low	70 Å²	70	70.5 Å²	70.5	37%	0.374	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-117.3	4.1	-170.3	-103.3	-38.8	0	0	0	114.6	D275 E276 S280	D275-N278 HydrophobicContact CB-CB 3.95Å; D275-N278 WeakPolarHBondContact O-CA 3.4Å; D275-N278 PolarHBondContact O-N 2.72Å; D275-N278 PolarHBondContact OD2-ND2 2.84Å; E276-N278 VanDerWaalsContact C-N 3.28Å; E276-N278 PolarHBondContact O-N 3.1Å; N278-S280 PolarHBondContact O-N 2.82Å; N278-S280 VanDerWaalsContact O-N 3.14Å
279	Q	48.8	Very low	64.8	Low	91 Å²	91	68 Å²	68	43%	0.425	37%	0.365	S	S	.	.			trans	-66.6	113	173	-70.8	-173.7	17.5	0	0	109.9	S281	Q279-S281 PolarHBondContact O-N 2.77Å
280	S	59.2	Low	67.6	Low	16 Å²	16	68.9 Å²	68.9	11%	0.112	36%	0.359	C	S	.	.			trans	-70.1	100	174.4	-160.6	0	0	0	0	109.5	R16 C266 N278 A282	R16-S280 WeakPolarHBondContact O-CB 3.4Å; R16-S280 PolarHBondContact O-OG 3.04Å; C266-S280 PolarHBondContact SG-O 2.91Å; N278-S280 PolarHBondContact O-N 2.82Å; N278-S280 VanDerWaalsContact O-N 3.14Å; S280-A282 PolarHBondContact OG-O 2.9Å; S280-A282 VanDerWaalsContact OG-O 3.07Å
281	S	81.3	Confident	70.3	Confident	41 Å²	41	59.1 Å²	59.1	29%	0.287	32%	0.317	S	S	.	.			trans	-88.1	7.8	-179.7	50.9	0	0	0	0	112.9	Q279 T318 T319 V324	Q279-S281 PolarHBondContact O-N 2.77Å; S281-T318 WeakPolarHBondContact O-CA 3.4Å; S281-T319 PolarHBondContact O-N 3.18Å; S281-V324 VanDerWaalsContact OG-CG1 3.31Å; S281-V324 WeakPolarHBondContact OG-CG1 3.49Å
282	A	87.6	Confident	72.7	Confident	6 Å²	6	53.3 Å²	53.3	5%	0.05	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	141.3	-177.6	0	0	0	0	0	111.5	L15 S280 I317 T318 M328	L15-A282 HydrophobicContact CD2-CB 4.34Å; S280-A282 PolarHBondContact OG-O 2.9Å; S280-A282 VanDerWaalsContact OG-O 3.07Å; A282-I317 CarbonylContact C-O 3.58Å; A282-I317 VanDerWaalsContact CA-O 3.29Å; A282-I317 WeakPolarHBondContact CA-O 3.05Å; A282-T318 HydrophobicContact CB-CG2 3.71Å; A282-M328 HydrophobicContact CB-SD 4.48Å
283	L	91.3	Very high	75	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.8	169	171.1	63.9	0	0	0	108.7	N17 F21 F264 L285 A316 I317	N17-L283 WeakPolarHBondContact ND2-CD1 3.29Å; N17-L283 WeakPolarHBondContact OD1-CD1 3.26Å; F21-L283 HydrophobicContact CE1-CD2 4.34Å; F264-L283 HydrophobicContact CD1-CD2 3.62Å; F264-L283 HydrophobicContact CE1-CD2 3.4Å; F264-L283 VanDerWaalsContact CE1-CD2 3.4Å; F264-L283 HydrophobicContact CZ-CD2 4.35Å; L283-L285 HydrophobicContact CD1-CD2 4.14Å; L283-L285 HydrophobicContact CD2-CD2 4.26Å; L283-L285 HydrophobicContact CG-CD2 4.15Å; L283-L285 HydrophobicContact CG-CG 4.36Å; L283-A316 CarbonylContact O-C 3.55Å; L283-A316 VanDerWaalsContact O-CA 3.25Å; L283-A316 WeakPolarHBondContact O-CA 3.3Å; L283-I317 PolarHBondContact N-O 3.19Å; L283-I317 PolarHBondContact O-N 3.5Å
284	G	94.7	Very high	77.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.8	171.9	0	0	0	0	0	111.8	F205 E206	F205-G284 CarbonylContact C-O 3.56Å; F205-G284 WeakPolarHBondContact CA-O 3.35Å; F205-G284 VanDerWaalsContact CD1-C 3.44Å; E206-G284 PolarHBondContact N-O 3.44Å
285	L	97.1	Very high	79.2	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.9	172.7	-55.1	179.5	0	0	0	110.2	F205 E206 V208 L255 F258 L283 M314 F315	F205-L285 VanDerWaalsContact CD1-O 3.27Å; F205-L285 WeakPolarHBondContact CD1-O 3.44Å; E206-L285 HydrophobicContact CB-CD2 3.94Å; E206-L285 CarbonylContact O-C 3.49Å; E206-L285 WeakPolarHBondContact O-CA 3.39Å; V208-L285 HydrophobicContact CG2-CB 4.38Å; V208-L285 HydrophobicContact CG2-CD2 4.12Å; L255-L285 HydrophobicContact CD1-CB 4.47Å; L255-L285 HydrophobicContact CD2-CB 3.95Å; L255-L285 HydrophobicContact CD2-CD1 4.23Å; F258-L285 HydrophobicContact CD1-CD1 4.17Å; F258-L285 HydrophobicContact CE1-CD1 4.41Å; L283-L285 HydrophobicContact CD1-CD2 4.14Å; L283-L285 HydrophobicContact CD2-CD2 4.26Å; L283-L285 HydrophobicContact CG-CD2 4.15Å; L283-L285 HydrophobicContact CG-CG 4.36Å; L285-M314 CarbonylContact O-C 3.54Å; L285-M314 WeakPolarHBondContact O-CA 3.1Å; L285-F315 PolarHBondContact N-O 3.05Å; L285-F315 PolarHBondContact O-N 3.16Å; L285-F315 VanDerWaalsContact O-O 3.08Å
286	C	98	Very high	80.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.2	172.7	69.5	0	0	0	0	111.7	L200 F205 E206 F207 V208 E313 M314	L200-C286 HydrophobicContact CD1-CB 4.07Å; F205-C286 HydrophobicContact CB-CB 4.31Å; F205-C286 HydrophobicContact CD1-CB 4.21Å; E206-C286 PolarHBondContact O-N 2.93Å; F207-C286 WeakPolarHBondContact CA-O 3.42Å; F207-C286 WeakPolarHBondContact CD1-SG 3.16Å; F207-C286 WeakPolarHBondContact CE1-SG 2.97Å; V208-C286 PolarHBondContact N-O 3.17Å; C286-E313 CarbonylContact C-O 3.57Å; C286-E313 WeakPolarHBondContact CA-O 3.48Å; C286-E313 VanDerWaalsContact CB-O 3.29Å; C286-E313 WeakPolarHBondContact CB-O 3.34Å; C286-M314 HydrophobicContact CB-CG 4.41Å
287	A	98.6	Very high	81.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	137.9	-176.3	0	0	0	0	0	111.5	V208 V210 S251 L255 E313	V208-A287 WeakPolarHBondContact O-CA 3.32Å; V208-A287 WeakPolarHBondContact O-CB 2.99Å; V210-A287 HydrophobicContact CG1-CB 3.86Å; V210-A287 HydrophobicContact CG2-CB 3.89Å; S251-A287 PolarHBondContact OG-O 2.92Å; S251-A287 VanDerWaalsContact OG-O 3.11Å; L255-A287 HydrophobicContact CD1-CB 4.04Å; L255-A287 HydrophobicContact CD2-CB 4.14Å; L255-A287 HydrophobicContact CG-CB 4.23Å; A287-E313 PolarHBondContact N-O 2.87Å; A287-E313 PolarHBondContact O-N 3.13Å
288	V	98.6	Very high	82.1	Confident	45 Å²	45	39 Å²	39	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.1	165.7	-169.5	0	0	0	0	108	I193 M197 T310 K311 V312	I193-V288 HydrophobicContact CG2-CG1 3.91Å; I193-V288 HydrophobicContact CG2-CG2 3.94Å; M197-V288 HydrophobicContact CE-CG2 3.85Å; M197-V288 HydrophobicContact CG-CG2 3.73Å; M197-V288 HydrophobicContact SD-CG2 3.37Å; M197-V288 WeakPolarHBondContact SD-CG2 3.46Å; V288-T310 HydrophobicContact CG1-CG2 3.76Å; V288-K311 WeakPolarHBondContact CA-O 3.37Å; V288-V312 HydrophobicContact CG1-CG2 4.42Å; V288-V312 HydrophobicContact CG2-CG1 4.38Å; V288-V312 HydrophobicContact CG2-CG2 3.99Å
289	S	98.2	Very high	83	Confident	9 Å²	9	41.9 Å²	41.9	6%	0.063	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.2	178.9	60.4	0	0	0	0	112.2	D212 S251 T310 K311	D212-S289 WeakPolarHBondContact OD1-CB 3.39Å; S251-S289 WeakPolarHBondContact CB-OG 2.95Å; S251-S289 PolarHBondContact N-OG 3.33Å; S251-S289 PolarHBondContact OG-OG 3.47Å; S289-T310 WeakPolarHBondContact O-CA 3.48Å; S289-K311 PolarHBondContact N-O 2.77Å; S289-K311 PolarHBondContact O-N 3.03Å
290	R	97.4	Very high	84.1	Confident	78 Å²	78	40.2 Å²	40.2	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126	163.7	-63.8	-73.3	-85.1	141.4	-5	107.6	D212 F292 Q308 F309 T310	D212-R290 PolarHBondContact OD1-N 3.24Å; R290-F292 HydrophobicContact CB-CE2 3.83Å; R290-F292 HydrophobicContact CB-CZ 4.01Å; R290-F292 WeakPolarHBondContact O-CD2 3.21Å; R290-F292 VanDerWaalsContact O-CE2 3.26Å; R290-F292 WeakPolarHBondContact O-CE2 3.25Å; R290-Q308 VanDerWaalsContact CZ-CD 3.48Å; R290-Q308 VanDerWaalsContact NH2-NE2 3.11Å; R290-F309 CarbonylContact C-O 3.55Å; R290-F309 WeakPolarHBondContact CA-O 3.28Å; R290-F309 PolarHBondContact NH1-O 3.07Å; R290-T310 WeakPolarHBondContact CD-OG1 3.42Å
291	C	96.3	Very high	84.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.8	-179.5	-63.5	0	0	0	0	109.8	Q308 F309 K311	C291-Q308 VanDerWaalsContact O-CA 3.29Å; C291-Q308 WeakPolarHBondContact O-CA 3.47Å; C291-F309 HydrophobicContact CB-CD1 4.23Å; C291-F309 HydrophobicContact CB-CD2 3.98Å; C291-F309 HydrophobicContact CB-CE1 3.87Å; C291-F309 HydrophobicContact CB-CE2 3.6Å; C291-F309 HydrophobicContact CB-CG 4.27Å; C291-F309 HydrophobicContact CB-CZ 3.54Å; C291-F309 PolarHBondContact N-O 3.19Å; C291-F309 PolarHBondContact O-N 2.98Å; C291-K311 VanDerWaalsContact SG-CB 3.58Å
292	F	94.8	Very high	84.7	Confident	28 Å²	28	41.4 Å²	41.4	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.8	-175.5	-57.1	-99.3	0	0	0	110.9	D212 Y234 L247 S248 G249 R290 H307 Q308	D212-F292 HydrophobicContact CB-CE2 3.92Å; Y234-F292 HydrophobicContact CD2-CB 3.94Å; Y234-F292 HydrophobicContact CE2-CB 4.3Å; L247-F292 HydrophobicContact CB-CB 3.66Å; L247-F292 HydrophobicContact CB-CD1 4.35Å; L247-F292 HydrophobicContact CB-CD2 3.83Å; L247-F292 HydrophobicContact CB-CG 3.7Å; L247-F292 HydrophobicContact CD1-CB 4.33Å; L247-F292 HydrophobicContact CD1-CD1 3.78Å; L247-F292 HydrophobicContact CD1-CE1 4.18Å; L247-F292 HydrophobicContact CD1-CG 4.01Å; L247-F292 HydrophobicContact CD2-CD2 4.23Å; L247-F292 HydrophobicContact CD2-CE1 4.42Å; L247-F292 HydrophobicContact CD2-CE2 4.18Å; L247-F292 HydrophobicContact CD2-CG 4.42Å; L247-F292 HydrophobicContact CD2-CZ 4.26Å; L247-F292 HydrophobicContact CG-CD1 4.46Å; L247-F292 HydrophobicContact CG-CD2 4.46Å; L247-F292 HydrophobicContact CG-CG 4.27Å; S248-F292 PolarHBondContact O-N 2.95Å; G249-F292 WeakPolarHBondContact CA-O 3.45Å; R290-F292 HydrophobicContact CB-CE2 3.83Å; R290-F292 HydrophobicContact CB-CZ 4.01Å; R290-F292 WeakPolarHBondContact O-CD2 3.21Å; R290-F292 VanDerWaalsContact O-CE2 3.26Å; R290-F292 WeakPolarHBondContact O-CE2 3.25Å; F292-H307 CarbonylContact C-O 3.57Å; F292-H307 VanDerWaalsContact CA-O 3.29Å; F292-H307 WeakPolarHBondContact CA-O 3.45Å; F292-Q308 HydrophobicContact CD1-CB 4.31Å; F292-Q308 HydrophobicContact CD1-CG 3.76Å; F292-Q308 HydrophobicContact CE1-CB 4.47Å; F292-Q308 HydrophobicContact CE1-CG 3.54Å; F292-Q308 HydrophobicContact CZ-CG 4.12Å
293	R	90.7	Very high	84.7	Confident	59 Å²	59	41.1 Å²	41.1	22%	0.223	21%	0.213	C	C	.	.			trans	-141.9	136.4	179.2	-64.1	-176.3	-179.2	-176.2	-3.1	111.1	Q232 Y234 E295 H307 F309	Q232-R293 WeakPolarHBondContact O-CA 3.33Å; Y234-R293 VanDerWaalsContact CE2-C 3.4Å; Y234-R293 WeakPolarHBondContact CE2-O 3.37Å; Y234-R293 PolarHBondContact OH-O 3.33Å; R293-E295 HydrophobicContact CB-CG 3.85Å; R293-E295 WeakPolarHBondContact CB-OE1 3.48Å; R293-E295 WeakPolarHBondContact CD-OE1 3.4Å; R293-E295 PolarHBondContact O-N 3.06Å; R293-E295 VanDerWaalsContact O-N 3.17Å; R293-H307 PolarHBondContact N-O 2.97Å; R293-H307 VanDerWaalsContact O-CA 3.28Å; R293-H307 WeakPolarHBondContact O-CA 3.3Å; R293-H307 PolarHBondContact O-ND1 2.79Å; R293-F309 HydrophobicContact CG-CE1 4.26Å
294	K	86.6	Confident	84.5	Confident	92 Å²	92	42.1 Å²	42.1	40%	0.4	22%	0.217	S	C	.	.			trans	-65.1	-16.3	-176.6	-82.9	173.8	165.7	163.9	0	115.7	S231 Q232 I233 Y234 H307	S231-K294 VanDerWaalsContact O-CD 3.32Å; S231-K294 WeakPolarHBondContact O-CD 3.31Å; Q232-K294 PolarHBondContact O-N 3.47Å; I233-K294 WeakPolarHBondContact O-CD 3.23Å; I233-K294 WeakPolarHBondContact O-CE 3.44Å; I233-K294 PolarHBondContact O-NZ 3.43Å; Y234-K294 HydrophobicContact CD1-CG 3.93Å; Y234-K294 HydrophobicContact CD2-CG 4.25Å; Y234-K294 HydrophobicContact CE1-CG 3.75Å; Y234-K294 HydrophobicContact CE2-CG 4.1Å; Y234-K294 HydrophobicContact CG-CG 4.18Å; K294-H307 PolarHBondContact O-CE1 3.28Å; K294-H307 PolarHBondContact O-ND1 3.4Å
295	E	76.8	Confident	84.3	Confident	7 Å²	7	44.7 Å²	44.7	3%	0.033	23%	0.227	C	C	.	.			trans	23.6	123.3	177.8	-52.8	-56.6	177.7	0	0	118.3	Q232 R293 R305 H307	Q232-E295 PolarHBondContact NE2-OE2 3.35Å; R293-E295 HydrophobicContact CB-CG 3.85Å; R293-E295 WeakPolarHBondContact CB-OE1 3.48Å; R293-E295 WeakPolarHBondContact CD-OE1 3.4Å; R293-E295 PolarHBondContact O-N 3.06Å; R293-E295 VanDerWaalsContact O-N 3.17Å; E295-R305 HydrophobicContact CB-CG 3.94Å; E295-R305 HydrophobicContact CG-CG 3.54Å; E295-R305 WeakPolarHBondContact OE2-CD 3.19Å; E295-R305 VanDerWaalsContact OE2-CG 3.3Å; E295-R305 WeakPolarHBondContact OE2-CG 3.26Å; E295-R305 IonicContact OE2-CZ 3.38Å; E295-R305 IonicContact OE2-NE 2.89Å; E295-R305 IonicContact OE2-NH1 2.73Å; E295-R305 PolarHBondContact OE2-NH1 3.26Å; E295-H307 PolarHBondContact O-CE1 3.42Å
296	A	66.2	Low	83.9	Confident	37 Å²	37	45 Å²	45	31%	0.306	23%	0.228	S	C	.	.			trans	-69.5	139.8	175.1	0	0	0	0	0	111.4	N298 Q299	A296-N298 VanDerWaalsContact C-N 3.29Å; A296-N298 PolarHBondContact O-N 2.99Å; A296-Q299 HydrophobicContact CB-CG 4.12Å
297	P	60.7	Low	83.5	Confident	82 Å²	82	46.6 Å²	46.6	53%	0.532	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.3	-172.6	18.5	-30	0	0	0	114.4	K177	K177-P297 WeakPolarHBondContact CE-O 3.49Å
298	N	58.6	Low	83.3	Confident	154 Å²	154	50.1 Å²	50.1	82%	0.824	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	14.8	-162.9	-65.9	-10.2	0	0	0	116.1	A296	A296-N298 VanDerWaalsContact C-N 3.29Å; A296-N298 PolarHBondContact O-N 2.99Å
299	Q	62.1	Low	83.1	Confident	132 Å²	132	48.9 Å²	48.9	62%	0.617	24%	0.243	S	C	*	.	S	Bend	trans	-92.4	-30.9	-170.7	-74.8	-175.6	-27	0	0	115.4	A296	A296-Q299 HydrophobicContact CB-CG 4.12Å
300	E	72.2	Confident	83.1	Confident	56 Å²	56	49.1 Å²	49.1	26%	0.262	25%	0.245	S	C	.	.	S	Bend	trans	-148.9	165.4	-165.8	-72.8	-173	160.9	0	0	113.9	K177 Y304 R305	K177-E300 PolarHBondContact NZ-O 3.42Å; E300-Y304 HydrophobicContact CB-CD1 3.99Å; E300-Y304 HydrophobicContact CG-CD1 4.22Å; E300-Y304 HydrophobicContact CG-CE1 4.4Å; E300-Y304 WeakPolarHBondContact OE1-CE1 3.23Å; E300-Y304 WeakPolarHBondContact OE2-CD1 3.47Å; E300-Y304 WeakPolarHBondContact OE2-CE1 3.35Å; E300-R305 HydrophobicContact CB-CB 4.18Å; E300-R305 VanDerWaalsContact CD-CZ 3.5Å; E300-R305 VanDerWaalsContact CD-NE 3.34Å; E300-R305 IonicContact OE1-CZ 2.78Å; E300-R305 IonicContact OE1-NE 3.51Å; E300-R305 IonicContact OE1-NH2 2.61Å; E300-R305 PolarHBondContact OE1-NH2 3.21Å; E300-R305 VanDerWaalsContact OE2-CB 3.28Å; E300-R305 WeakPolarHBondContact OE2-CB 3.26Å; E300-R305 WeakPolarHBondContact OE2-CD 3.49Å; E300-R305 IonicContact OE2-CZ 2.66Å; E300-R305 IonicContact OE2-NE 2.72Å; E300-R305 PolarHBondContact OE2-NE 3.26Å; E300-R305 IonicContact OE2-NH2 3.1Å; E300-R305 PolarHBondContact OE2-NH2 3.17Å
301	P	74.6	Confident	83.1	Confident	36 Å²	36	45.9 Å²	45.9	23%	0.234	23%	0.232	C	C	.	.			trans	-57.5	163.2	178.5	-26	35.6	0	0	0	114.6	K177 Y304 D374 I376	K177-P301 PolarHBondContact NZ-O 3.18Å; P301-Y304 PolarHBondContact O-N 3.43Å; P301-D374 VanDerWaalsContact CB-OD2 3.23Å; P301-D374 WeakPolarHBondContact CB-OD2 3.33Å; P301-D374 WeakPolarHBondContact CG-OD2 3.29Å; P301-I376 HydrophobicContact CG-CD1 4.05Å
302	T	78.8	Confident	83.3	Confident	45 Å²	45	45.9 Å²	45.9	28%	0.276	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	147.3	177.8	-64.8	0	0	0	0	111.1	I137 V167 Y304	I137-T302 HydrophobicContact CD1-CG2 4.21Å; I137-T302 WeakPolarHBondContact CD1-OG1 3.5Å; I137-T302 HydrophobicContact CG1-CG2 4.02Å; V167-T302 HydrophobicContact CB-CG2 3.46Å; V167-T302 VanDerWaalsContact CB-CG2 3.46Å; V167-T302 HydrophobicContact CG1-CG2 3.52Å; V167-T302 HydrophobicContact CG2-CG2 3.72Å; T302-Y304 PolarHBondContact O-N 3.25Å
303	L	86.4	Confident	83.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-22	-168.4	-66.1	-172.4	0	0	0	116.7	V136 L165 V167 Y179 F181 R305 P419 K423	V136-L303 HydrophobicContact CB-CD1 4.44Å; V136-L303 HydrophobicContact CG1-CB 4.41Å; V136-L303 HydrophobicContact CG1-CD1 3.97Å; V136-L303 HydrophobicContact CG1-CG 4.14Å; V136-L303 HydrophobicContact CG2-CD1 3.83Å; L165-L303 HydrophobicContact CD1-CD1 4.09Å; L165-L303 HydrophobicContact CD1-CD2 4.26Å; L165-L303 HydrophobicContact CD2-CD1 3.86Å; V167-L303 HydrophobicContact CG1-CD2 4.07Å; V167-L303 HydrophobicContact CG1-CG 4.26Å; Y179-L303 VanDerWaalsContact CB-CD2 3.48Å; Y179-L303 HydrophobicContact CD1-CD2 3.9Å; Y179-L303 HydrophobicContact CD2-CD2 4.28Å; Y179-L303 HydrophobicContact CG-CD2 3.62Å; F181-L303 HydrophobicContact CE1-CD1 3.98Å; F181-L303 HydrophobicContact CE1-CD2 4.48Å; F181-L303 HydrophobicContact CZ-CD1 4.07Å; F181-L303 HydrophobicContact CZ-CD2 4.22Å; L303-R305 VanDerWaalsContact C-N 3.34Å; L303-P419 WeakPolarHBondContact O-CB 3.49Å; L303-K423 HydrophobicContact CB-CB 4.25Å
304	Y	88.4	Confident	83.8	Confident	22 Å²	22	41.8 Å²	41.8	9%	0.086	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.1	177.4	-173.5	-104.6	0	0	0	112.1	E300 P301 T302 M371 G378 E379 R420	E300-Y304 HydrophobicContact CB-CD1 3.99Å; E300-Y304 HydrophobicContact CG-CD1 4.22Å; E300-Y304 HydrophobicContact CG-CE1 4.4Å; E300-Y304 WeakPolarHBondContact OE1-CE1 3.23Å; E300-Y304 WeakPolarHBondContact OE2-CD1 3.47Å; E300-Y304 WeakPolarHBondContact OE2-CE1 3.35Å; P301-Y304 PolarHBondContact O-N 3.43Å; T302-Y304 PolarHBondContact O-N 3.25Å; Y304-M371 HydrophobicContact CD2-CE 3.64Å; Y304-M371 HydrophobicContact CD2-SD 3.93Å; Y304-M371 HydrophobicContact CE2-CE 3.71Å; Y304-M371 HydrophobicContact CE2-SD 4.32Å; Y304-G378 WeakPolarHBondContact OH-CA 3.48Å; Y304-E379 WeakPolarHBondContact CE2-O 3.01Å; Y304-E379 WeakPolarHBondContact OH-CB 3.28Å; Y304-E379 PolarHBondContact OH-N 2.87Å; Y304-R420 HydrophobicContact CD2-CG 4.2Å; Y304-R420 WeakPolarHBondContact O-CG 3.45Å; Y304-R420 PolarHBondContact O-NE 2.74Å
305	R	88.5	Confident	84.4	Confident	55 Å²	55	37.4 Å²	37.4	21%	0.208	20%	0.197	C	C	.	.	S	Bend	trans	-135.5	126.2	175.7	-172	166.1	-76.1	-157.5	27.4	109.9	K177 E295 E300 L303	K177-R305 WeakPolarHBondContact CD-O 3.38Å; E295-R305 HydrophobicContact CB-CG 3.94Å; E295-R305 HydrophobicContact CG-CG 3.54Å; E295-R305 WeakPolarHBondContact OE2-CD 3.19Å; E295-R305 VanDerWaalsContact OE2-CG 3.3Å; E295-R305 WeakPolarHBondContact OE2-CG 3.26Å; E295-R305 IonicContact OE2-CZ 3.38Å; E295-R305 IonicContact OE2-NE 2.89Å; E295-R305 IonicContact OE2-NH1 2.73Å; E295-R305 PolarHBondContact OE2-NH1 3.26Å; E300-R305 HydrophobicContact CB-CB 4.18Å; E300-R305 VanDerWaalsContact CD-CZ 3.5Å; E300-R305 VanDerWaalsContact CD-NE 3.34Å; E300-R305 IonicContact OE1-CZ 2.78Å; E300-R305 IonicContact OE1-NE 3.51Å; E300-R305 IonicContact OE1-NH2 2.61Å; E300-R305 PolarHBondContact OE1-NH2 3.21Å; E300-R305 VanDerWaalsContact OE2-CB 3.28Å; E300-R305 WeakPolarHBondContact OE2-CB 3.26Å; E300-R305 WeakPolarHBondContact OE2-CD 3.49Å; E300-R305 IonicContact OE2-CZ 2.66Å; E300-R305 IonicContact OE2-NE 2.72Å; E300-R305 PolarHBondContact OE2-NE 3.26Å; E300-R305 IonicContact OE2-NH2 3.1Å; E300-R305 PolarHBondContact OE2-NH2 3.17Å; L303-R305 VanDerWaalsContact C-N 3.34Å
306	V	89.9	Confident	85.4	Confident	6 Å²	6	37 Å²	37	4%	0.036	20%	0.196	C	C	.	.			trans	-148.5	153.3	-172.1	-65.8	0	0	0	0	109.9	K177 Y179 Q308 F309 P419	K177-V306 CarbonylContact O-C 3.6Å; K177-V306 WeakPolarHBondContact O-CA 3.29Å; K177-V306 VanDerWaalsContact O-CB 3.22Å; K177-V306 WeakPolarHBondContact O-CB 3.31Å; Y179-V306 HydrophobicContact CD1-CB 4.24Å; Y179-V306 HydrophobicContact CD1-CG1 3.93Å; Y179-V306 HydrophobicContact CD1-CG2 4.29Å; Y179-V306 HydrophobicContact CE1-CB 4.31Å; Y179-V306 HydrophobicContact CE1-CG1 4.38Å; Y179-V306 HydrophobicContact CE1-CG2 3.9Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 3.26Å; V306-F309 HydrophobicContact CG2-CB 3.77Å; V306-F309 HydrophobicContact CG2-CD1 3.98Å; V306-F309 HydrophobicContact CG2-CG 4.23Å; V306-P419 HydrophobicContact CG2-CB 4.48Å; V306-P419 HydrophobicContact CG2-CG 4.36Å
307	H	90	Very high	86.8	Confident	34 Å²	34	35.3 Å²	35.3	16%	0.157	18%	0.181	C	C	.	.	S	Bend	trans	-70	-30	-175.3	-68.8	-56.5	0	0	0	114.2	H176 K177 Y234 F292 R293 K294 E295	H176-H307 PolarHBondContact O-CD2 3.1Å; H176-H307 PolarHBondContact O-NE2 2.98Å; K177-H307 PolarHBondContact O-N 2.71Å; Y234-H307 PolarHBondContact OH-ND1 3.29Å; Y234-H307 VanDerWaalsContact OH-ND1 3.11Å; F292-H307 CarbonylContact C-O 3.57Å; F292-H307 VanDerWaalsContact CA-O 3.29Å; F292-H307 WeakPolarHBondContact CA-O 3.45Å; R293-H307 PolarHBondContact N-O 2.97Å; R293-H307 VanDerWaalsContact O-CA 3.28Å; R293-H307 WeakPolarHBondContact O-CA 3.3Å; R293-H307 PolarHBondContact O-ND1 2.79Å; K294-H307 PolarHBondContact O-CE1 3.28Å; K294-H307 PolarHBondContact O-ND1 3.4Å; E295-H307 PolarHBondContact O-CE1 3.42Å
308	Q	92.7	Very high	88.4	Confident	75 Å²	75	31.4 Å²	31.4	35%	0.35	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	125.1	-176.7	-167	-170.6	6.8	0	0	109.8	Y179 R290 C291 F292 V306	Y179-Q308 WeakPolarHBondContact CE1-O 3.27Å; R290-Q308 VanDerWaalsContact CZ-CD 3.48Å; R290-Q308 VanDerWaalsContact NH2-NE2 3.11Å; C291-Q308 VanDerWaalsContact O-CA 3.29Å; C291-Q308 WeakPolarHBondContact O-CA 3.47Å; F292-Q308 HydrophobicContact CD1-CB 4.31Å; F292-Q308 HydrophobicContact CD1-CG 3.76Å; F292-Q308 HydrophobicContact CE1-CB 4.47Å; F292-Q308 HydrophobicContact CE1-CG 3.54Å; F292-Q308 HydrophobicContact CZ-CG 4.12Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 3.26Å
309	F	95.4	Very high	90.1	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.083	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.5	-178.4	57.3	-82.4	0	0	0	112.2	R290 C291 R293 V306 K311 P419	R290-F309 CarbonylContact C-O 3.55Å; R290-F309 WeakPolarHBondContact CA-O 3.28Å; R290-F309 PolarHBondContact NH1-O 3.07Å; C291-F309 HydrophobicContact CB-CD1 4.23Å; C291-F309 HydrophobicContact CB-CD2 3.98Å; C291-F309 HydrophobicContact CB-CE1 3.87Å; C291-F309 HydrophobicContact CB-CE2 3.6Å; C291-F309 HydrophobicContact CB-CG 4.27Å; C291-F309 HydrophobicContact CB-CZ 3.54Å; C291-F309 PolarHBondContact N-O 3.19Å; C291-F309 PolarHBondContact O-N 2.98Å; R293-F309 HydrophobicContact CG-CE1 4.26Å; V306-F309 HydrophobicContact CG2-CB 3.77Å; V306-F309 HydrophobicContact CG2-CD1 3.98Å; V306-F309 HydrophobicContact CG2-CG 4.23Å; F309-K311 HydrophobicContact CD2-CB 4.29Å; F309-K311 HydrophobicContact CE2-CB 4.15Å; F309-K311 HydrophobicContact CE2-CD 4.24Å; F309-P419 HydrophobicContact CB-CG 3.51Å
310	T	98.1	Very high	91.6	Very high	14 Å²	14	20.3 Å²	20.3	9%	0.086	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.1	173.8	-51.6	0	0	0	0	109.4	E189 I193 V288 S289 R290 I418	E189-T310 PolarHBondContact OE1-OG1 3.48Å; I193-T310 HydrophobicContact CD1-CG2 3.7Å; I193-T310 HydrophobicContact CG1-CG2 4.18Å; V288-T310 HydrophobicContact CG1-CG2 3.76Å; S289-T310 WeakPolarHBondContact O-CA 3.48Å; R290-T310 WeakPolarHBondContact CD-OG1 3.42Å; T310-I418 HydrophobicContact CG2-CG1 4.12Å; T310-I418 WeakPolarHBondContact O-CB 3.39Å; T310-I418 VanDerWaalsContact O-CG1 3.3Å; T310-I418 WeakPolarHBondContact O-CG1 3.33Å; T310-I418 PolarHBondContact O-N 2.87Å
311	K	98.3	Very high	92.6	Very high	9 Å²	9	19.5 Å²	19.5	4%	0.039	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.1	177	-172.5	168.3	62.8	152.7	0	111.1	T250 V288 S289 C291 F309 E313 T414 C416	T250-K311 VanDerWaalsContact CB-NZ 3.3Å; T250-K311 WeakPolarHBondContact OG1-CE 3.14Å; T250-K311 PolarHBondContact OG1-NZ 2.79Å; V288-K311 WeakPolarHBondContact CA-O 3.37Å; S289-K311 PolarHBondContact N-O 2.77Å; S289-K311 PolarHBondContact O-N 3.03Å; C291-K311 VanDerWaalsContact SG-CB 3.58Å; F309-K311 HydrophobicContact CD2-CB 4.29Å; F309-K311 HydrophobicContact CE2-CB 4.15Å; F309-K311 HydrophobicContact CE2-CD 4.24Å; K311-E313 WeakPolarHBondContact CE-OE2 3.41Å; K311-E313 IonicContact NZ-OE2 2.57Å; K311-E313 PolarHBondContact NZ-OE2 3.05Å; K311-T414 HydrophobicContact CD-CG2 3.72Å; K311-T414 HydrophobicContact CG-CG2 4.01Å; K311-C416 CarbonylContact C-O 3.49Å; K311-C416 WeakPolarHBondContact CA-O 3.41Å
312	V	98.7	Very high	93.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.1	164.8	-169	0	0	0	0	108.2	T196 M197 L200 V288 A415 C416	T196-V312 HydrophobicContact CG2-CB 3.9Å; T196-V312 HydrophobicContact CG2-CG1 3.89Å; T196-V312 HydrophobicContact CG2-CG2 4.04Å; M197-V312 HydrophobicContact SD-CG1 3.68Å; L200-V312 HydrophobicContact CD1-CG1 3.6Å; V288-V312 HydrophobicContact CG1-CG2 4.42Å; V288-V312 HydrophobicContact CG2-CG1 4.38Å; V288-V312 HydrophobicContact CG2-CG2 3.99Å; V312-A415 HydrophobicContact CB-CB 4.18Å; V312-A415 HydrophobicContact CG1-CB 4.07Å; V312-A415 PolarHBondContact O-N 3.24Å; V312-C416 HydrophobicContact CB-CB 4.28Å; V312-C416 HydrophobicContact CG2-CB 4.24Å; V312-C416 PolarHBondContact N-O 3.4Å; V312-C416 PolarHBondContact O-N 2.98Å
313	E	98.7	Very high	94.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.5	-178.9	-168.1	74.1	-81.9	0	0	110.3	T250 S251 E252 C286 A287 K311 T414	T250-E313 PolarHBondContact OG1-OE2 2.88Å; S251-E313 WeakPolarHBondContact OG-CB 3.4Å; E252-E313 HydrophobicContact CB-CG 4Å; C286-E313 CarbonylContact C-O 3.57Å; C286-E313 WeakPolarHBondContact CA-O 3.48Å; C286-E313 VanDerWaalsContact CB-O 3.29Å; C286-E313 WeakPolarHBondContact CB-O 3.34Å; A287-E313 PolarHBondContact N-O 2.87Å; A287-E313 PolarHBondContact O-N 3.13Å; K311-E313 WeakPolarHBondContact CE-OE2 3.41Å; K311-E313 IonicContact NZ-OE2 2.57Å; K311-E313 PolarHBondContact NZ-OE2 3.05Å; E313-T414 WeakPolarHBondContact OE1-CA 3.43Å; E313-T414 PolarHBondContact OE1-N 3.37Å; E313-T414 PolarHBondContact OE1-OG1 3.48Å
314	M	98.6	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.5	167	-62.3	175.2	-76.3	0	0	109.3	L200 F205 L285 C286 I332 L335 Q336 N412 G413 A415	L200-M314 HydrophobicContact CD2-CG 3.69Å; L200-M314 HydrophobicContact CD2-SD 3.55Å; L200-M314 VanDerWaalsContact CD2-SD 3.55Å; F205-M314 HydrophobicContact CD1-CB 4.24Å; F205-M314 HydrophobicContact CD1-CG 4.29Å; F205-M314 HydrophobicContact CE1-CB 3.58Å; F205-M314 HydrophobicContact CE1-CG 3.97Å; F205-M314 HydrophobicContact CE1-SD 4.41Å; F205-M314 HydrophobicContact CE2-SD 4.16Å; F205-M314 HydrophobicContact CZ-CB 3.91Å; F205-M314 HydrophobicContact CZ-CG 4.13Å; F205-M314 HydrophobicContact CZ-SD 3.96Å; L285-M314 CarbonylContact O-C 3.54Å; L285-M314 WeakPolarHBondContact O-CA 3.1Å; C286-M314 HydrophobicContact CB-CG 4.41Å; M314-I332 HydrophobicContact CE-CG2 3.75Å; M314-L335 HydrophobicContact SD-CD2 3.66Å; M314-Q336 HydrophobicContact CE-CG 3.99Å; M314-N412 CarbonylContact O-C 3.42Å; M314-N412 VanDerWaalsContact O-CA 3.26Å; M314-N412 WeakPolarHBondContact O-CA 3.38Å; M314-G413 WeakPolarHBondContact CA-O 3.31Å; M314-G413 VanDerWaalsContact CB-O 3.23Å; M314-G413 WeakPolarHBondContact CB-O 3.4Å; M314-G413 WeakPolarHBondContact CE-O 3.27Å; M314-G413 PolarHBondContact N-O 2.91Å; M314-G413 PolarHBondContact O-N 3.27Å; M314-A415 HydrophobicContact CE-CB 3.97Å; M314-A415 HydrophobicContact CG-CB 4.2Å; M314-A415 HydrophobicContact SD-CB 4.38Å
315	F	98.4	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.1	174.1	-174	-106.5	0	0	0	108.4	E252 L255 A256 L285 I317 T410 L411 N412	E252-F315 HydrophobicContact CG-CD2 3.94Å; E252-F315 HydrophobicContact CG-CE2 4.22Å; L255-F315 HydrophobicContact CB-CB 3.93Å; L255-F315 HydrophobicContact CB-CD1 4.05Å; L255-F315 HydrophobicContact CB-CG 4.02Å; L255-F315 HydrophobicContact CD1-CB 3.58Å; L255-F315 HydrophobicContact CG-CB 4.37Å; A256-F315 HydrophobicContact CB-CE1 4.44Å; A256-F315 HydrophobicContact CB-CE2 4.13Å; A256-F315 HydrophobicContact CB-CZ 3.83Å; L285-F315 PolarHBondContact N-O 3.05Å; L285-F315 PolarHBondContact O-N 3.16Å; L285-F315 VanDerWaalsContact O-O 3.08Å; F315-I317 HydrophobicContact CD1-CG1 4.21Å; F315-I317 HydrophobicContact CE1-CD1 3.97Å; F315-I317 HydrophobicContact CE1-CG1 3.64Å; F315-I317 HydrophobicContact CZ-CG1 4.46Å; F315-T410 HydrophobicContact CE2-CG2 4.45Å; F315-T410 HydrophobicContact CZ-CG2 3.75Å; F315-L411 CarbonylContact C-O 3.58Å; F315-L411 WeakPolarHBondContact CA-O 3.49Å; F315-L411 WeakPolarHBondContact CD2-O 3.39Å; F315-N412 HydrophobicContact CD2-CB 4.34Å
316	A	97.3	Very high	95.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.3	179.2	0	0	0	0	0	110.9	L283 M328 I332 T410 L411	L283-A316 CarbonylContact O-C 3.55Å; L283-A316 VanDerWaalsContact O-CA 3.25Å; L283-A316 WeakPolarHBondContact O-CA 3.3Å; A316-M328 HydrophobicContact CB-CE 3.42Å; A316-M328 VanDerWaalsContact CB-CE 3.42Å; A316-M328 HydrophobicContact CB-CG 3.71Å; A316-M328 HydrophobicContact CB-SD 4.38Å; A316-I332 HydrophobicContact CB-CD1 4.45Å; A316-T410 WeakPolarHBondContact O-CA 3.4Å; A316-L411 HydrophobicContact CB-CB 4.25Å; A316-L411 HydrophobicContact CB-CD1 4.36Å; A316-L411 PolarHBondContact N-O 2.87Å; A316-L411 PolarHBondContact O-N 2.86Å
317	I	96.6	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.7	172.5	-61	169.5	0	0	0	106.7	C259 F264 A282 L283 F315 I396 W398 A408 Y409	C259-I317 HydrophobicContact CB-CD1 3.68Å; C259-I317 WeakPolarHBondContact SG-CD1 3.17Å; F264-I317 HydrophobicContact CD2-CD1 4.22Å; F264-I317 HydrophobicContact CD2-CG2 4.22Å; F264-I317 HydrophobicContact CE1-CD1 4.33Å; F264-I317 HydrophobicContact CE2-CD1 3.68Å; F264-I317 HydrophobicContact CZ-CD1 3.73Å; A282-I317 CarbonylContact C-O 3.58Å; A282-I317 VanDerWaalsContact CA-O 3.29Å; A282-I317 WeakPolarHBondContact CA-O 3.05Å; L283-I317 PolarHBondContact N-O 3.19Å; L283-I317 PolarHBondContact O-N 3.5Å; F315-I317 HydrophobicContact CD1-CG1 4.21Å; F315-I317 HydrophobicContact CE1-CD1 3.97Å; F315-I317 HydrophobicContact CE1-CG1 3.64Å; F315-I317 HydrophobicContact CZ-CG1 4.46Å; I317-I396 HydrophobicContact CD1-CG2 4.26Å; I317-I396 HydrophobicContact CG2-CG2 4.37Å; I317-W398 HydrophobicContact CG2-CE3 3.9Å; I317-W398 HydrophobicContact CG2-CZ3 4.02Å; I317-A408 HydrophobicContact CG2-CB 3.48Å; I317-A408 VanDerWaalsContact CG2-CB 3.48Å; I317-Y409 CarbonylContact C-O 3.59Å; I317-Y409 WeakPolarHBondContact CA-O 3.49Å
318	T	94.5	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	160.8	177.6	75.3	0	0	0	0	110.8	S281 A282 V324 M328 Y409 L411	S281-T318 WeakPolarHBondContact O-CA 3.4Å; A282-T318 HydrophobicContact CB-CG2 3.71Å; T318-V324 HydrophobicContact CG2-CG1 4.25Å; T318-M328 HydrophobicContact CG2-CB 4.18Å; T318-M328 HydrophobicContact CG2-CG 4.32Å; T318-Y409 PolarHBondContact N-O 3.38Å; T318-Y409 PolarHBondContact O-N 2.9Å; T318-Y409 WeakPolarHBondContact OG1-CB 3.14Å; T318-L411 HydrophobicContact CG2-CD1 3.71Å
319	T	93.8	Very high	96	Very high	26 Å²	26	20 Å²	20	16%	0.16	12%	0.124	C	C	.	.			trans	-50	147.4	157.9	-170.4	0	0	0	0	109.8	S281 S321 V324	S281-T319 PolarHBondContact O-N 3.18Å; T319-S321 PolarHBondContact O-N 3.47Å; T319-V324 HydrophobicContact CG2-CB 4.07Å; T319-V324 HydrophobicContact CG2-CG1 4.1Å; T319-V324 HydrophobicContact CG2-CG2 3.87Å
320	P	94.6	Very high	96	Very high	27 Å²	27	23.4 Å²	23.4	18%	0.175	14%	0.143	C	C	.	.	S	Bend	trans	-71.8	59.5	-179.3	29.7	-36.9	0	0	0	113.1	E406 F407 Y409	P320-E406 HydrophobicContact CG-CB 3.81Å; P320-E406 WeakPolarHBondContact CG-OE2 3.42Å; P320-F407 WeakPolarHBondContact CB-O 3.21Å; P320-Y409 HydrophobicContact CB-CD1 3.91Å; P320-Y409 HydrophobicContact CB-CE1 3.78Å; P320-Y409 HydrophobicContact CB-CG 4.38Å
321	S	93.3	Very high	95.9	Very high	40 Å²	40	25.6 Å²	25.6	28%	0.28	15%	0.153	S	C	.	.			trans	-123.2	121.6	178.6	175	0	0	0	0	109.3	T319 P323 V324 S325	T319-S321 PolarHBondContact O-N 3.47Å; S321-P323 WeakPolarHBondContact OG-CD 3.25Å; S321-V324 PolarHBondContact O-N 3.06Å; S321-S325 PolarHBondContact O-N 2.96Å; S321-S325 PolarHBondContact O-OG 3.08Å
322	L	94.6	Very high	95.8	Very high	69 Å²	69	25.2 Å²	25.2	36%	0.361	15%	0.151	S	C	.	.	H	α-helix	trans	-55	-51	177.6	-80.5	173	0	0	0	112	V324 S325 D326 Y362 L387 Y409	L322-V324 VanDerWaalsContact C-N 3.27Å; L322-V324 PolarHBondContact O-N 3.06Å; L322-S325 WeakPolarHBondContact CA-OG 3.37Å; L322-S325 PolarHBondContact O-N 3.28Å; L322-S325 VanDerWaalsContact O-N 3.11Å; L322-S325 PolarHBondContact O-OG 3.06Å; L322-D326 WeakPolarHBondContact O-CB 3.42Å; L322-D326 PolarHBondContact O-N 2.68Å; L322-Y362 HydrophobicContact CD2-CE1 4.06Å; L322-L387 HydrophobicContact CD2-CD2 3.7Å; L322-Y409 HydrophobicContact CD2-CE2 4.32Å; L322-Y409 HydrophobicContact CG-CE2 4.41Å
323	P	94.6	Very high	95.8	Very high	95 Å²	95	26 Å²	26	62%	0.617	16%	0.155	S	C	*	.	H	α-helix	trans	-53.5	-39.2	176.2	-28.9	34.1	0	0	0	114.6	S321 A327	S321-P323 WeakPolarHBondContact OG-CD 3.25Å; P323-A327 WeakPolarHBondContact O-CB 3.29Å; P323-A327 PolarHBondContact O-N 3.5Å
324	V	92.7	Very high	95.7	Very high	29 Å²	29	28.2 Å²	28.2	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-70.5	-45.7	178.2	178	0	0	0	0	110.7	S281 T318 T319 S321 L322 D326 A327 M328	S281-V324 VanDerWaalsContact OG-CG1 3.31Å; S281-V324 WeakPolarHBondContact OG-CG1 3.49Å; T318-V324 HydrophobicContact CG2-CG1 4.25Å; T319-V324 HydrophobicContact CG2-CB 4.07Å; T319-V324 HydrophobicContact CG2-CG1 4.1Å; T319-V324 HydrophobicContact CG2-CG2 3.87Å; S321-V324 PolarHBondContact O-N 3.06Å; L322-V324 VanDerWaalsContact C-N 3.27Å; L322-V324 PolarHBondContact O-N 3.06Å; V324-D326 VanDerWaalsContact C-N 3.33Å; V324-D326 PolarHBondContact O-N 3.25Å; V324-A327 PolarHBondContact O-N 2.91Å; V324-M328 PolarHBondContact O-N 3.19Å
325	S	95.3	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-40.1	177.5	66.5	0	0	0	0	112	S321 L322 M328 F329 L411	S321-S325 PolarHBondContact O-N 2.96Å; S321-S325 PolarHBondContact O-OG 3.08Å; L322-S325 WeakPolarHBondContact CA-OG 3.37Å; L322-S325 PolarHBondContact O-N 3.28Å; L322-S325 VanDerWaalsContact O-N 3.11Å; L322-S325 PolarHBondContact O-OG 3.06Å; S325-M328 PolarHBondContact O-N 3.13Å; S325-F329 WeakPolarHBondContact O-CB 3.2Å; S325-F329 PolarHBondContact O-N 3.3Å; S325-L411 VanDerWaalsContact O-CD2 3.24Å; S325-L411 WeakPolarHBondContact O-CD2 3.45Å
326	D	95.3	Very high	95.7	Very high	40 Å²	40	28.3 Å²	28.3	21%	0.214	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-40.3	176.1	-76	-30.1	0	0	0	111.8	L322 V324 F329 N330 I385	L322-D326 WeakPolarHBondContact O-CB 3.42Å; L322-D326 PolarHBondContact O-N 2.68Å; V324-D326 VanDerWaalsContact C-N 3.33Å; V324-D326 PolarHBondContact O-N 3.25Å; D326-F329 PolarHBondContact O-N 3.12Å; D326-N330 WeakPolarHBondContact O-CB 3.06Å; D326-N330 VanDerWaalsContact O-CG 3.27Å; D326-N330 PolarHBondContact O-N 2.65Å; D326-N330 PolarHBondContact O-ND2 3.35Å; D326-I385 WeakPolarHBondContact OD1-CD1 3.41Å
327	A	94.7	Very high	95.7	Very high	48 Å²	48	29.6 Å²	29.6	40%	0.397	17%	0.172	S	C	.	.	H	α-helix	trans	-61.6	-45.6	174.6	0	0	0	0	0	111.3	P323 V324 N330 Q331	P323-A327 WeakPolarHBondContact O-CB 3.29Å; P323-A327 PolarHBondContact O-N 3.5Å; V324-A327 PolarHBondContact O-N 2.91Å; A327-N330 PolarHBondContact O-N 3.01Å; A327-Q331 WeakPolarHBondContact O-CG 3.32Å; A327-Q331 PolarHBondContact O-N 3.17Å
328	M	94.8	Very high	95.8	Very high	4 Å²	4	30 Å²	30	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-41.2	177.1	-173	57.6	-176	0	0	112	L15 F205 A282 A316 T318 V324 S325 N330 Q331 I332 L411	L15-M328 HydrophobicContact CD1-CE 3.85Å; L15-M328 HydrophobicContact CD1-SD 4.29Å; L15-M328 HydrophobicContact CD2-SD 4.34Å; F205-M328 HydrophobicContact CE1-CE 3.99Å; F205-M328 HydrophobicContact CE2-CE 3.69Å; F205-M328 HydrophobicContact CZ-CE 3.24Å; A282-M328 HydrophobicContact CB-SD 4.48Å; A316-M328 HydrophobicContact CB-CE 3.42Å; A316-M328 VanDerWaalsContact CB-CE 3.42Å; A316-M328 HydrophobicContact CB-CG 3.71Å; A316-M328 HydrophobicContact CB-SD 4.38Å; T318-M328 HydrophobicContact CG2-CB 4.18Å; T318-M328 HydrophobicContact CG2-CG 4.32Å; V324-M328 PolarHBondContact O-N 3.19Å; S325-M328 PolarHBondContact O-N 3.13Å; M328-N330 PolarHBondContact O-N 2.81Å; M328-Q331 WeakPolarHBondContact O-CB 3.49Å; M328-Q331 PolarHBondContact O-N 3.04Å; M328-I332 HydrophobicContact CE-CD1 4.26Å; M328-I332 HydrophobicContact CE-CG1 4.27Å; M328-I332 HydrophobicContact CG-CD1 4.42Å; M328-I332 WeakPolarHBondContact O-CG1 3.5Å; M328-I332 PolarHBondContact O-N 3.24Å; M328-L411 HydrophobicContact CB-CD2 4.41Å
329	F	97.2	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-46.5	175.6	-171.8	-119.1	0	0	0	111.9	S325 D326 Q331 I332 I333 R363 V365 S383 I385 L411	S325-F329 WeakPolarHBondContact O-CB 3.2Å; S325-F329 PolarHBondContact O-N 3.3Å; D326-F329 PolarHBondContact O-N 3.12Å; F329-Q331 VanDerWaalsContact C-N 3.32Å; F329-Q331 PolarHBondContact O-N 2.88Å; F329-I332 PolarHBondContact O-N 3.49Å; F329-I333 HydrophobicContact CD1-CD1 3.66Å; F329-I333 HydrophobicContact CE1-CD1 3.43Å; F329-I333 VanDerWaalsContact CE1-CD1 3.43Å; F329-I333 HydrophobicContact CE2-CD1 4.32Å; F329-I333 HydrophobicContact CG-CD1 4.22Å; F329-I333 HydrophobicContact CZ-CD1 3.79Å; F329-I333 WeakPolarHBondContact O-CG1 3.4Å; F329-I333 PolarHBondContact O-N 2.65Å; F329-R363 HydrophobicContact CE1-CG 4.3Å; F329-R363 HydrophobicContact CZ-CG 4.48Å; F329-V365 HydrophobicContact CE1-CB 4.39Å; F329-V365 HydrophobicContact CE1-CG2 3.78Å; F329-V365 HydrophobicContact CZ-CB 3.91Å; F329-V365 HydrophobicContact CZ-CG2 3.74Å; F329-S383 WeakPolarHBondContact CE2-O 3.24Å; F329-I385 HydrophobicContact CB-CD1 3.83Å; F329-I385 HydrophobicContact CB-CG1 3.9Å; F329-I385 HydrophobicContact CD1-CD1 3.91Å; F329-I385 HydrophobicContact CD1-CG1 4.09Å; F329-I385 HydrophobicContact CD2-CD1 4.17Å; F329-I385 HydrophobicContact CD2-CG1 3.47Å; F329-I385 VanDerWaalsContact CD2-CG1 3.47Å; F329-I385 HydrophobicContact CE1-CD1 4.48Å; F329-I385 HydrophobicContact CE1-CG1 4.47Å; F329-I385 HydrophobicContact CE2-CG1 3.91Å; F329-I385 HydrophobicContact CG-CD1 3.72Å; F329-I385 HydrophobicContact CG-CG1 3.57Å; F329-I385 HydrophobicContact CZ-CG1 4.39Å; F329-L411 HydrophobicContact CB-CD2 3.75Å; F329-L411 HydrophobicContact CD2-CD2 4.25Å; F329-L411 HydrophobicContact CG-CD2 4.46Å
330	N	96.5	Very high	96.2	Very high	89 Å²	89	29 Å²	29	48%	0.476	17%	0.168	S	C	.	.	H	α-helix	trans	-64.6	-35	176.5	-71.8	-38.2	0	0	0	112.4	D326 A327 M328 K334	D326-N330 WeakPolarHBondContact O-CB 3.06Å; D326-N330 VanDerWaalsContact O-CG 3.27Å; D326-N330 PolarHBondContact O-N 2.65Å; D326-N330 PolarHBondContact O-ND2 3.35Å; A327-N330 PolarHBondContact O-N 3.01Å; M328-N330 PolarHBondContact O-N 2.81Å; N330-K334 VanDerWaalsContact O-CB 3.23Å; N330-K334 WeakPolarHBondContact O-CB 3.45Å; N330-K334 PolarHBondContact O-N 2.9Å
331	Q	94.9	Very high	96.3	Very high	61 Å²	61	28.9 Å²	28.9	29%	0.285	17%	0.169	S	C	.	.	H	α-helix	trans	-65.1	-43.5	174.2	-73.7	179.6	10.6	0	0	112.1	A327 M328 F329 K334 L335	A327-Q331 WeakPolarHBondContact O-CG 3.32Å; A327-Q331 PolarHBondContact O-N 3.17Å; M328-Q331 WeakPolarHBondContact O-CB 3.49Å; M328-Q331 PolarHBondContact O-N 3.04Å; F329-Q331 VanDerWaalsContact C-N 3.32Å; F329-Q331 PolarHBondContact O-N 2.88Å; Q331-K334 PolarHBondContact O-N 2.92Å; Q331-L335 WeakPolarHBondContact O-CB 3.47Å; Q331-L335 PolarHBondContact O-N 3.45Å
332	I	97.8	Very high	96.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-50.5	175.2	-73.2	171.5	0	0	0	110.6	F205 M314 A316 M328 F329 K334 L335 Q336 S383 L411	F205-I332 HydrophobicContact CZ-CD1 4.43Å; F205-I332 HydrophobicContact CZ-CG1 4.06Å; M314-I332 HydrophobicContact CE-CG2 3.75Å; A316-I332 HydrophobicContact CB-CD1 4.45Å; M328-I332 HydrophobicContact CE-CD1 4.26Å; M328-I332 HydrophobicContact CE-CG1 4.27Å; M328-I332 HydrophobicContact CG-CD1 4.42Å; M328-I332 WeakPolarHBondContact O-CG1 3.5Å; M328-I332 PolarHBondContact O-N 3.24Å; F329-I332 PolarHBondContact O-N 3.49Å; I332-K334 VanDerWaalsContact C-N 3.32Å; I332-K334 PolarHBondContact O-N 3Å; I332-L335 WeakPolarHBondContact O-CB 3.3Å; I332-L335 PolarHBondContact O-N 3.43Å; I332-L335 VanDerWaalsContact O-N 3.17Å; I332-Q336 WeakPolarHBondContact O-CG 3.35Å; I332-Q336 PolarHBondContact O-N 2.85Å; I332-S383 WeakPolarHBondContact CG2-OG 3.46Å; I332-L411 HydrophobicContact CD1-CB 4.45Å
333	I	98	Very high	96.6	Very high	17 Å²	17	25 Å²	25	9%	0.087	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-44.6	179	-67.9	164.2	0	0	0	110.7	F329 L335 Q336 I337 V349 V365	F329-I333 HydrophobicContact CD1-CD1 3.66Å; F329-I333 HydrophobicContact CE1-CD1 3.43Å; F329-I333 VanDerWaalsContact CE1-CD1 3.43Å; F329-I333 HydrophobicContact CE2-CD1 4.32Å; F329-I333 HydrophobicContact CG-CD1 4.22Å; F329-I333 HydrophobicContact CZ-CD1 3.79Å; F329-I333 WeakPolarHBondContact O-CG1 3.4Å; F329-I333 PolarHBondContact O-N 2.65Å; I333-L335 VanDerWaalsContact C-N 3.31Å; I333-L335 PolarHBondContact O-N 2.71Å; I333-Q336 WeakPolarHBondContact O-CB 3.37Å; I333-Q336 PolarHBondContact O-N 3.21Å; I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.37Å; I333-I337 VanDerWaalsContact O-CG1 3.31Å; I333-I337 WeakPolarHBondContact O-CG1 3.4Å; I333-I337 PolarHBondContact O-N 2.91Å; I333-V349 HydrophobicContact CG2-CG1 4.37Å; I333-V365 HydrophobicContact CD1-CB 3.91Å; I333-V365 HydrophobicContact CD1-CG1 3.97Å; I333-V365 HydrophobicContact CD1-CG2 3.9Å; I333-V365 HydrophobicContact CG1-CB 4.38Å; I333-V365 HydrophobicContact CG1-CG1 4.18Å
334	K	97.2	Very high	96.7	Very high	47 Å²	47	22.5 Å²	22.5	20%	0.204	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-41.5	177.6	177.3	170.5	172.7	162.9	0	112	F8 F12 N330 Q331 I332 I337 C338	F8-K334 HydrophobicContact CD1-CD 4.42Å; F8-K334 HydrophobicContact CD1-CG 4.31Å; F8-K334 HydrophobicContact CE1-CD 4.09Å; F8-K334 HydrophobicContact CE1-CG 3.99Å; F12-K334 HydrophobicContact CZ-CG 4.27Å; N330-K334 VanDerWaalsContact O-CB 3.23Å; N330-K334 WeakPolarHBondContact O-CB 3.45Å; N330-K334 PolarHBondContact O-N 2.9Å; Q331-K334 PolarHBondContact O-N 2.92Å; I332-K334 VanDerWaalsContact C-N 3.32Å; I332-K334 PolarHBondContact O-N 3Å; K334-I337 PolarHBondContact O-N 3.36Å; K334-C338 PolarHBondContact O-N 3.06Å; K334-C338 PolarHBondContact O-SG 2.77Å
335	L	96.9	Very high	96.9	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-43.4	176.9	-179	59.4	0	0	0	111.7	F12 L200 T203 M314 Q331 I332 I333 C338 L339	F12-L335 HydrophobicContact CE1-CB 4.25Å; F12-L335 HydrophobicContact CZ-CB 4.15Å; F12-L335 HydrophobicContact CZ-CD1 4.12Å; L200-L335 HydrophobicContact CD2-CD2 3.51Å; T203-L335 HydrophobicContact CG2-CD1 3.91Å; T203-L335 HydrophobicContact CG2-CD2 3.87Å; M314-L335 HydrophobicContact SD-CD2 3.66Å; Q331-L335 WeakPolarHBondContact O-CB 3.47Å; Q331-L335 PolarHBondContact O-N 3.45Å; I332-L335 WeakPolarHBondContact O-CB 3.3Å; I332-L335 PolarHBondContact O-N 3.43Å; I332-L335 VanDerWaalsContact O-N 3.17Å; I333-L335 VanDerWaalsContact C-N 3.31Å; I333-L335 PolarHBondContact O-N 2.71Å; L335-C338 PolarHBondContact O-N 2.81Å; L335-L339 HydrophobicContact CG-CD1 4.25Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.74Å
336	Q	98.5	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.5	-46.6	174.4	-70	166.9	-34.7	0	0	111.6	M314 I332 I333 C338 L339 F340 I367 S381 S382 S383 T414	M314-Q336 HydrophobicContact CE-CG 3.99Å; I332-Q336 WeakPolarHBondContact O-CG 3.35Å; I332-Q336 PolarHBondContact O-N 2.85Å; I333-Q336 WeakPolarHBondContact O-CB 3.37Å; I333-Q336 PolarHBondContact O-N 3.21Å; Q336-C338 VanDerWaalsContact C-N 3.31Å; Q336-C338 PolarHBondContact O-N 3.45Å; Q336-L339 PolarHBondContact O-N 3.41Å; Q336-F340 HydrophobicContact CB-CD2 4.43Å; Q336-F340 HydrophobicContact CB-CE2 3.84Å; Q336-F340 HydrophobicContact CB-CZ 4.45Å; Q336-F340 HydrophobicContact CG-CE2 4.47Å; Q336-F340 WeakPolarHBondContact O-CD2 3.3Å; Q336-F340 WeakPolarHBondContact O-CG 3.37Å; Q336-F340 PolarHBondContact O-N 3.02Å; Q336-I367 HydrophobicContact CB-CD1 3.62Å; Q336-S381 PolarHBondContact NE2-OG 3.16Å; Q336-S382 PolarHBondContact NE2-O 3.11Å; Q336-S383 PolarHBondContact NE2-OG 2.83Å; Q336-S383 PolarHBondContact OE1-OG 2.81Å; Q336-T414 PolarHBondContact NE2-O 2.87Å
337	I	98.5	Very high	97.2	Very high	27 Å²	27	20.1 Å²	20.1	14%	0.138	12%	0.122	C	C	.	.	H	α-helix	trans	-56.3	-46.3	175.1	-69.2	169.5	0	0	0	110.6	Y121 I333 K334 F340 A341 F347 V349 I367	Y121-I337 HydrophobicContact CD1-CD1 3.99Å; Y121-I337 HydrophobicContact CD1-CG1 4.45Å; Y121-I337 HydrophobicContact CE1-CD1 4.32Å; Y121-I337 HydrophobicContact CE1-CG2 3.88Å; I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.37Å; I333-I337 VanDerWaalsContact O-CG1 3.31Å; I333-I337 WeakPolarHBondContact O-CG1 3.4Å; I333-I337 PolarHBondContact O-N 2.91Å; K334-I337 PolarHBondContact O-N 3.36Å; I337-F340 PolarHBondContact O-N 3.43Å; I337-A341 WeakPolarHBondContact O-CB 3.45Å; I337-A341 PolarHBondContact O-N 2.91Å; I337-F347 HydrophobicContact CB-CE2 4.43Å; I337-F347 HydrophobicContact CB-CZ 4.39Å; I337-F347 HydrophobicContact CG1-CE2 4.14Å; I337-F347 HydrophobicContact CG2-CE2 4.3Å; I337-F347 HydrophobicContact CG2-CZ 4.06Å; I337-V349 HydrophobicContact CD1-CG2 4.12Å; I337-V349 HydrophobicContact CG1-CG2 4.06Å; I337-I367 HydrophobicContact CG1-CD1 4.08Å
338	C	97.4	Very high	97.4	Very high	8 Å²	8	20.6 Å²	20.6	5%	0.054	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-47	177.8	-70.5	0	0	0	0	112.2	F8 F9 K334 L335 Q336 F340 A341 D342	F8-C338 WeakPolarHBondContact CD1-SG 3.06Å; F9-C338 HydrophobicContact CE2-CB 4.3Å; F9-C338 HydrophobicContact CZ-CB 4.07Å; K334-C338 PolarHBondContact O-N 3.06Å; K334-C338 PolarHBondContact O-SG 2.77Å; L335-C338 PolarHBondContact O-N 2.81Å; Q336-C338 VanDerWaalsContact C-N 3.31Å; Q336-C338 PolarHBondContact O-N 3.45Å; C338-F340 VanDerWaalsContact C-N 3.33Å; C338-F340 PolarHBondContact O-N 2.92Å; C338-A341 PolarHBondContact O-N 2.97Å; C338-D342 WeakPolarHBondContact O-CB 3.46Å; C338-D342 PolarHBondContact O-N 3.43Å
339	L	98	Very high	97.6	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-54.7	-48.5	178.5	-74.9	167.6	0	0	0	111.5	Y195 T196 R199 L335 Q336 L343 A415	Y195-L339 HydrophobicContact CD1-CD2 4.48Å; Y195-L339 HydrophobicContact CE1-CD2 3.66Å; Y195-L339 PolarHBondContact OH-O 3.4Å; T196-L339 HydrophobicContact CG2-CD1 4.37Å; T196-L339 HydrophobicContact CG2-CD2 4.49Å; R199-L339 HydrophobicContact CB-CD2 3.69Å; R199-L339 HydrophobicContact CG-CD2 3.68Å; L335-L339 HydrophobicContact CG-CD1 4.25Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.74Å; Q336-L339 PolarHBondContact O-N 3.41Å; L339-L343 VanDerWaalsContact O-CG 3.29Å; L339-L343 WeakPolarHBondContact O-CG 3.04Å; L339-L343 PolarHBondContact O-N 2.97Å; L339-A415 HydrophobicContact CD1-CB 4.12Å
340	F	98.5	Very high	97.6	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-80	-29.8	-175	-51.9	-38	0	0	0	113	Q336 I337 C338 L343 L345 F347 I367 I380 S381 I421	Q336-F340 HydrophobicContact CB-CD2 4.43Å; Q336-F340 HydrophobicContact CB-CE2 3.84Å; Q336-F340 HydrophobicContact CB-CZ 4.45Å; Q336-F340 HydrophobicContact CG-CE2 4.47Å; Q336-F340 WeakPolarHBondContact O-CD2 3.3Å; Q336-F340 WeakPolarHBondContact O-CG 3.37Å; Q336-F340 PolarHBondContact O-N 3.02Å; I337-F340 PolarHBondContact O-N 3.43Å; C338-F340 VanDerWaalsContact C-N 3.33Å; C338-F340 PolarHBondContact O-N 2.92Å; F340-L343 HydrophobicContact CD1-CD1 4.41Å; F340-L343 PolarHBondContact O-N 3.29Å; F340-L345 HydrophobicContact CB-CD1 4.42Å; F340-L345 PolarHBondContact O-N 3.49Å; F340-F347 HydrophobicContact CB-CD1 3.8Å; F340-F347 HydrophobicContact CB-CE1 3.5Å; F340-F347 VanDerWaalsContact CB-CE1 3.5Å; F340-F347 HydrophobicContact CB-CZ 4.04Å; F340-I367 HydrophobicContact CD2-CB 4.47Å; F340-I367 HydrophobicContact CD2-CD1 4.12Å; F340-I367 HydrophobicContact CD2-CG2 3.97Å; F340-I367 HydrophobicContact CE2-CB 4.34Å; F340-I367 HydrophobicContact CE2-CD1 4.06Å; F340-I367 HydrophobicContact CE2-CG2 4.33Å; F340-I380 HydrophobicContact CB-CD1 4.19Å; F340-I380 HydrophobicContact CD1-CD1 3.79Å; F340-I380 HydrophobicContact CD2-CD1 3.55Å; F340-I380 HydrophobicContact CD2-CG1 4.38Å; F340-I380 HydrophobicContact CE1-CD1 4.08Å; F340-I380 HydrophobicContact CE2-CD1 3.83Å; F340-I380 HydrophobicContact CE2-CG1 4.26Å; F340-I380 HydrophobicContact CG-CD1 3.55Å; F340-I380 HydrophobicContact CZ-CD1 4.1Å; F340-S381 VanDerWaalsContact CE2-CB 3.41Å; F340-I421 HydrophobicContact CD1-CD1 3.78Å; F340-I421 HydrophobicContact CE1-CD1 3.54Å; F340-I421 HydrophobicContact CE1-CG1 4.44Å; F340-I421 HydrophobicContact CZ-CD1 4.34Å
341	A	97.8	Very high	97.7	Very high	25 Å²	25	16.4 Å²	16.4	21%	0.207	9%	0.092	C	C	.	.	H	α-helix	trans	-64.4	-44.3	173	0	0	0	0	0	111.5	H123 I337 C338 L343 G344 F347	H123-A341 WeakPolarHBondContact CE1-CB 3.37Å; H123-A341 VanDerWaalsContact NE2-CB 3.31Å; H123-A341 WeakPolarHBondContact NE2-CB 3.44Å; I337-A341 WeakPolarHBondContact O-CB 3.45Å; I337-A341 PolarHBondContact O-N 2.91Å; C338-A341 PolarHBondContact O-N 2.97Å; A341-L343 PolarHBondContact O-N 3.01Å; A341-G344 WeakPolarHBondContact O-CA 3.44Å; A341-G344 PolarHBondContact O-N 3.46Å; A341-F347 HydrophobicContact CB-CE1 4.43Å; A341-F347 HydrophobicContact CB-CZ 4.5Å
342	D	96.6	Very high	97.9	Very high	27 Å²	27	14 Å²	14	14%	0.144	8%	0.081	C	C	.	.	H	α-helix	trans	-64.9	-27.8	177.8	-73.2	-24.7	0	0	0	113.1	Y195 R199 C338 G344 V441	Y195-D342 VanDerWaalsContact OH-CB 3.24Å; Y195-D342 WeakPolarHBondContact OH-CB 3.25Å; Y195-D342 PolarHBondContact OH-OD2 2.84Å; Y195-D342 VanDerWaalsContact OH-OD2 3.13Å; R199-D342 IonicContact CZ-OD2 3.74Å; R199-D342 IonicContact NE-OD2 3.84Å; R199-D342 PolarHBondContact NE-OD2 2.84Å; R199-D342 IonicContact NH2-OD1 2.72Å; R199-D342 IonicContact NH2-OD2 3.34Å; R199-D342 PolarHBondContact NH2-OD2 3.32Å; C338-D342 WeakPolarHBondContact O-CB 3.46Å; C338-D342 PolarHBondContact O-N 3.43Å; D342-G344 PolarHBondContact O-N 3.39Å; D342-V441 HydrophobicContact CB-CG1 4.1Å; D342-V441 HydrophobicContact CB-CG2 4.35Å; D342-V441 WeakPolarHBondContact O-CG2 3.36Å
343	L	97.5	Very high	97.9	Very high	2 Å²	2	14 Å²	14	1%	0.01	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.9	172.5	-70.7	176.4	0	0	0	113	L192 Y195 L339 F340 A341 L345 I421 L425 H429 V441 L442	L192-L343 HydrophobicContact CD2-CD1 4.21Å; L192-L343 HydrophobicContact CD2-CD2 4.11Å; Y195-L343 HydrophobicContact CD1-CD2 4.48Å; Y195-L343 HydrophobicContact CE1-CD2 4.22Å; Y195-L343 HydrophobicContact CE1-CG 4.24Å; L339-L343 VanDerWaalsContact O-CG 3.29Å; L339-L343 WeakPolarHBondContact O-CG 3.04Å; L339-L343 PolarHBondContact O-N 2.97Å; F340-L343 HydrophobicContact CD1-CD1 4.41Å; F340-L343 PolarHBondContact O-N 3.29Å; A341-L343 PolarHBondContact O-N 3.01Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 HydrophobicContact CB-CD1 4.31Å; L343-L345 HydrophobicContact CB-CG 4.05Å; L343-L345 PolarHBondContact O-N 3.35Å; L343-I421 HydrophobicContact CD1-CG2 3.8Å; L343-L425 HydrophobicContact CB-CD2 4.13Å; L343-L425 HydrophobicContact CD2-CD1 4.43Å; L343-L425 HydrophobicContact CD2-CD2 4.42Å; L343-H429 PolarHBondContact O-NE2 3.33Å; L343-V441 HydrophobicContact CD2-CG2 3.97Å; L343-L442 HydrophobicContact CD2-CD1 3.8Å; L343-L442 HydrophobicContact CD2-CD2 3.9Å; L343-L442 HydrophobicContact CD2-CG 3.84Å
344	G	95.8	Very high	98	Very high	41 Å²	41	13.1 Å²	13.1	42%	0.423	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	27.5	179.9	0	0	0	0	0	113.6	A341 D342	A341-G344 WeakPolarHBondContact O-CA 3.44Å; A341-G344 PolarHBondContact O-N 3.46Å; D342-G344 PolarHBondContact O-N 3.39Å
345	L	97.9	Very high	98	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.016	8%	0.082	C	C	.	.			trans	-87.7	141	-179.9	-60.1	-179.9	0	0	0	111.2	H123 F340 L343 F347 I380 I421 A424 L425 T428	H123-L345 PolarHBondContact CD2-O 3.45Å; F340-L345 HydrophobicContact CB-CD1 4.42Å; F340-L345 PolarHBondContact O-N 3.49Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 HydrophobicContact CB-CD1 4.31Å; L343-L345 HydrophobicContact CB-CG 4.05Å; L343-L345 PolarHBondContact O-N 3.35Å; L345-F347 HydrophobicContact CB-CD1 4.22Å; L345-F347 VanDerWaalsContact O-CD1 3.29Å; L345-F347 WeakPolarHBondContact O-CD1 3.38Å; L345-I380 HydrophobicContact CD1-CD1 4.23Å; L345-I421 HydrophobicContact CD1-CD1 4.41Å; L345-A424 HydrophobicContact CD1-CB 4.18Å; L345-A424 HydrophobicContact CD2-CB 4.03Å; L345-L425 HydrophobicContact CD2-CD2 4.02Å; L345-L425 HydrophobicContact CD2-CG 4.36Å; L345-T428 HydrophobicContact CD2-CG2 4.49Å
346	H	98.1	Very high	97.9	Very high	16 Å²	16	17.6 Å²	17.6	7%	0.074	10%	0.098	C	C	.	.			trans	-87.9	123.4	165.8	175.2	50.8	0	0	0	109.6	H123 G124 S125 K126 A369 W370 Y377	H123-H346 PolarHBondContact O-ND1 2.84Å; G124-H346 VanDerWaalsContact C-ND1 3.27Å; G124-H346 PolarHBondContact O-CE1 2.77Å; G124-H346 PolarHBondContact O-ND1 3.25Å; S125-H346 VanDerWaalsContact C-CG 3.46Å; S125-H346 PolarHBondContact N-ND1 2.84Å; K126-H346 VanDerWaalsContact CG-CD2 3.49Å; K126-H346 WeakPolarHBondContact CG-CD2 3.24Å; K126-H346 PolarHBondContact N-CD2 2.57Å; H346-A369 WeakPolarHBondContact O-CA 3.33Å; H346-W370 HydrophobicContact CB-CB 4.29Å; H346-W370 PolarHBondContact O-N 3.34Å; H346-Y377 PolarHBondContact CD2-OH 3.11Å; H346-Y377 AromaticContact NE2-CZ 3.82Å; H346-Y377 PolarHBondContact NE2-OH 3.17Å
347	F	98.7	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.7	-176.8	59.8	-93.7	0	0	0	112.9	Y121 H123 I337 F340 A341 L345 V349 I367 E368 A369	Y121-F347 HydrophobicContact CE1-CE2 4.39Å; H123-F347 HydrophobicContact CB-CD1 3.97Å; H123-F347 HydrophobicContact CB-CD2 3.92Å; H123-F347 HydrophobicContact CB-CE1 3.56Å; H123-F347 HydrophobicContact CB-CE2 3.54Å; H123-F347 HydrophobicContact CB-CG 4.14Å; H123-F347 HydrophobicContact CB-CZ 3.35Å; H123-F347 AromaticContact CD2-CE1 3.54Å; H123-F347 AromaticContact CD2-CZ 3.98Å; H123-F347 AromaticContact CG-CE1 3.61Å; H123-F347 AromaticContact CG-CZ 3.58Å; H123-F347 PolarHBondContact N-O 3.1Å; H123-F347 PolarHBondContact O-N 2.88Å; I337-F347 HydrophobicContact CB-CE2 4.43Å; I337-F347 HydrophobicContact CB-CZ 4.39Å; I337-F347 HydrophobicContact CG1-CE2 4.14Å; I337-F347 HydrophobicContact CG2-CE2 4.3Å; I337-F347 HydrophobicContact CG2-CZ 4.06Å; F340-F347 HydrophobicContact CB-CD1 3.8Å; F340-F347 HydrophobicContact CB-CE1 3.5Å; F340-F347 VanDerWaalsContact CB-CE1 3.5Å; F340-F347 HydrophobicContact CB-CZ 4.04Å; A341-F347 HydrophobicContact CB-CE1 4.43Å; A341-F347 HydrophobicContact CB-CZ 4.5Å; L345-F347 HydrophobicContact CB-CD1 4.22Å; L345-F347 VanDerWaalsContact O-CD1 3.29Å; L345-F347 WeakPolarHBondContact O-CD1 3.38Å; F347-V349 HydrophobicContact CD2-CG2 4.29Å; F347-V349 HydrophobicContact CE2-CG2 4.23Å; F347-I367 HydrophobicContact CB-CG2 3.93Å; F347-I367 HydrophobicContact CD2-CG2 3.35Å; F347-I367 HydrophobicContact CE2-CG2 4.04Å; F347-I367 HydrophobicContact CG-CG2 3.8Å; F347-E368 CarbonylContact C-O 3.54Å; F347-E368 WeakPolarHBondContact CA-O 3.25Å; F347-E368 WeakPolarHBondContact CB-O 3.37Å; F347-A369 HydrophobicContact CB-CB 4.31Å
348	R	98.5	Very high	97.6	Very high	58 Å²	58	18.7 Å²	18.7	22%	0.219	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.5	172.2	60.7	179.2	-176.9	175.6	-1.3	110.4	H119 Y121 L350 I367 E368 Y377	H119-R348 WeakPolarHBondContact CE1-CD 3.46Å; H119-R348 PolarHBondContact CE1-NH1 2.75Å; H119-R348 PolarHBondContact NE2-NH1 3.18Å; H119-R348 VanDerWaalsContact NE2-NH1 3.13Å; Y121-R348 CarbonylContact O-C 3.57Å; Y121-R348 WeakPolarHBondContact O-CA 3.25Å; R348-L350 HydrophobicContact CG-CD2 4.27Å; R348-L350 HydrophobicContact CG-CG 4.26Å; R348-I367 WeakPolarHBondContact O-CA 3.34Å; R348-E368 HydrophobicContact CG-CB 4.06Å; R348-E368 IonicContact CZ-OE2 2.64Å; R348-E368 PolarHBondContact N-O 2.92Å; R348-E368 IonicContact NE-OE2 3.13Å; R348-E368 PolarHBondContact NE-OE2 3.17Å; R348-E368 IonicContact NH2-OE2 3.06Å; R348-E368 PolarHBondContact NH2-OE2 3.1Å; R348-E368 PolarHBondContact O-N 3.29Å; R348-Y377 HydrophobicContact CG-CD1 3.92Å; R348-Y377 HydrophobicContact CG-CE1 4.1Å; R348-Y377 HydrophobicContact CG-CG 4.41Å
349	V	98.7	Very high	97.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.3	175.5	-175.1	0	0	0	0	107.8	I120 Y121 I333 I337 F347 V365 D366 I367	I120-V349 HydrophobicContact CB-CB 4.49Å; I120-V349 HydrophobicContact CB-CG1 4.37Å; I120-V349 HydrophobicContact CD1-CG1 4.37Å; I120-V349 PolarHBondContact N-O 2.88Å; Y121-V349 HydrophobicContact CD1-CG2 3.84Å; Y121-V349 HydrophobicContact CG-CG2 4.47Å; Y121-V349 PolarHBondContact N-O 3.46Å; Y121-V349 PolarHBondContact O-N 3.37Å; I333-V349 HydrophobicContact CG2-CG1 4.37Å; I337-V349 HydrophobicContact CD1-CG2 4.12Å; I337-V349 HydrophobicContact CG1-CG2 4.06Å; F347-V349 HydrophobicContact CD2-CG2 4.29Å; F347-V349 HydrophobicContact CE2-CG2 4.23Å; V349-V365 HydrophobicContact CG1-CG1 3.37Å; V349-D366 WeakPolarHBondContact CA-O 3.4Å; V349-I367 HydrophobicContact CG1-CG1 4.37Å; V349-I367 HydrophobicContact CG2-CD1 4.13Å; V349-I367 HydrophobicContact CG2-CG1 4.08Å; V349-I367 HydrophobicContact CG2-CG2 4.49Å
350	L	98.6	Very high	97.3	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.1	-172.1	-59.5	-179.6	0	0	0	110.4	A117 R118 H119 R348 M352 V365 D366 E368	A117-L350 HydrophobicContact CB-CB 4.46Å; A117-L350 HydrophobicContact CB-CD1 4.31Å; R118-L350 CarbonylContact O-C 3.59Å; R118-L350 WeakPolarHBondContact O-CA 3.45Å; H119-L350 HydrophobicContact CB-CD2 4.35Å; R348-L350 HydrophobicContact CG-CD2 4.27Å; R348-L350 HydrophobicContact CG-CG 4.26Å; L350-M352 HydrophobicContact CB-SD 3.95Å; L350-M352 PolarHBondContact O-N 3.15Å; L350-V365 CarbonylContact O-C 3.59Å; L350-V365 VanDerWaalsContact O-CA 3.26Å; L350-V365 WeakPolarHBondContact O-CA 3.38Å; L350-D366 PolarHBondContact N-O 3.38Å; L350-D366 PolarHBondContact O-N 3.07Å; L350-E368 HydrophobicContact CD1-CG 4.09Å
351	E	98.6	Very high	97.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	120.1	160	-169.6	77.7	-125.7	0	0	107.2	P110 A117 R118 I120 R363	P110-E351 HydrophobicContact CG-CG 4.45Å; A117-E351 WeakPolarHBondContact CA-O 3.42Å; R118-E351 HydrophobicContact CB-CB 4.19Å; R118-E351 PolarHBondContact N-O 2.65Å; R118-E351 IonicContact NH2-OE2 2.92Å; R118-E351 PolarHBondContact O-N 2.85Å; I120-E351 HydrophobicContact CD1-CB 3.85Å; I120-E351 HydrophobicContact CG1-CB 4.11Å; E351-R363 WeakPolarHBondContact OE1-CG 3.47Å; E351-R363 IonicContact OE1-CZ 3.88Å; E351-R363 IonicContact OE1-NE 3.57Å; E351-R363 PolarHBondContact OE1-NE 3.35Å; E351-R363 IonicContact OE1-NH2 3.53Å; E351-R363 IonicContact OE2-CZ 3.14Å; E351-R363 IonicContact OE2-NE 3.73Å; E351-R363 PolarHBondContact OE2-NE 2.86Å; E351-R363 VanDerWaalsContact OE2-NE 3.1Å; E351-R363 IonicContact OE2-NH2 3.1Å; E351-R363 PolarHBondContact OE2-NH2 3.31Å
352	M	98.5	Very high	97.4	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.049	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-79.5	140.2	-177.4	-61.2	-50.8	-70.8	0	0	110.6	T109 A117 L350 E356 L357 K364 D366	T109-M352 WeakPolarHBondContact CG2-O 3.45Å; A117-M352 HydrophobicContact CB-SD 4.42Å; L350-M352 HydrophobicContact CB-SD 3.95Å; L350-M352 PolarHBondContact O-N 3.15Å; M352-E356 HydrophobicContact CB-CB 4.2Å; M352-E356 HydrophobicContact CE-CB 3.95Å; M352-E356 HydrophobicContact CE-CG 4.06Å; M352-L357 HydrophobicContact CB-CD2 4.34Å; M352-K364 HydrophobicContact CB-CB 4.15Å; M352-K364 HydrophobicContact CB-CD 4.21Å; M352-K364 HydrophobicContact CB-CG 4.17Å; M352-K364 WeakPolarHBondContact CB-O 3.26Å; M352-K364 HydrophobicContact CG-CB 4.48Å; M352-K364 HydrophobicContact CG-CD 4.13Å; M352-K364 HydrophobicContact CG-CG 4.02Å; M352-K364 PolarHBondContact N-O 2.96Å; M352-D366 WeakPolarHBondContact CE-OD2 3.34Å; M352-D366 HydrophobicContact CG-CB 3.9Å; M352-D366 VanDerWaalsContact CG-OD2 3.29Å; M352-D366 WeakPolarHBondContact CG-OD2 3.12Å; M352-D366 HydrophobicContact SD-CB 3.67Å; M352-D366 VanDerWaalsContact SD-OD2 3.41Å
353	P	98.5	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-78.7	170	-176.9	34	-34.9	0	0	0	111.6	P110 G112 D113 K116 E355 E356	P110-P353 HydrophobicContact CB-CB 4.14Å; P110-P353 CarbonylContact O-C 3.58Å; P110-P353 WeakPolarHBondContact O-CA 3.48Å; P110-P353 WeakPolarHBondContact O-CB 3.27Å; G112-P353 WeakPolarHBondContact O-CB 3.06Å; D113-P353 WeakPolarHBondContact O-CG 3.28Å; K116-P353 HydrophobicContact CB-CB 3.91Å; K116-P353 HydrophobicContact CB-CG 4.44Å; P353-E355 VanDerWaalsContact C-N 3.3Å; P353-E355 PolarHBondContact O-N 2.78Å; P353-E356 HydrophobicContact CG-CB 4.22Å; P353-E356 HydrophobicContact CG-CG 3.83Å; P353-E356 PolarHBondContact O-N 2.97Å
354	S	98.4	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.4	-171	62.7	0	0	0	0	114.2	A65 R66 P110 I111 G112 E356	A65-S354 VanDerWaalsContact O-CB 3.26Å; A65-S354 WeakPolarHBondContact O-CB 3.42Å; A65-S354 PolarHBondContact O-OG 3.14Å; R66-S354 WeakPolarHBondContact CD-O 3.18Å; R66-S354 PolarHBondContact NH1-O 2.72Å; P110-S354 PolarHBondContact O-N 3Å; I111-S354 WeakPolarHBondContact CA-OG 3.39Å; G112-S354 PolarHBondContact N-OG 3.25Å; S354-E356 VanDerWaalsContact C-N 3.29Å; S354-E356 PolarHBondContact O-N 2.7Å
355	E	97.4	Very high	97.6	Very high	68 Å²	68	21.3 Å²	21.3	32%	0.318	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-77.1	-14.5	176.2	-65.4	-175.3	-149	0	0	113.2	K67 G112 P353	K67-E355 HydrophobicContact CB-CG 4.1Å; K67-E355 VanDerWaalsContact CD-CD 3.48Å; K67-E355 HydrophobicContact CD-CG 4.26Å; K67-E355 WeakPolarHBondContact CD-OE2 3.12Å; K67-E355 IonicContact NZ-OE1 3.48Å; K67-E355 IonicContact NZ-OE2 3.94Å; K67-E355 PolarHBondContact NZ-OE2 3.27Å; G112-E355 VanDerWaalsContact O-CB 3.3Å; G112-E355 WeakPolarHBondContact O-CB 3.39Å; G112-E355 WeakPolarHBondContact O-CG 3.37Å; G112-E355 PolarHBondContact O-N 3.29Å; P353-E355 VanDerWaalsContact C-N 3.3Å; P353-E355 PolarHBondContact O-N 2.78Å
356	E	96.7	Very high	97.7	Very high	74 Å²	74	21.3 Å²	21.3	35%	0.346	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-99.6	2	-176	-65.4	-63.3	149.3	0	0	113.9	S114 M352 P353 S354 K364	S114-E356 WeakPolarHBondContact CB-OE1 3.28Å; M352-E356 HydrophobicContact CB-CB 4.2Å; M352-E356 HydrophobicContact CE-CB 3.95Å; M352-E356 HydrophobicContact CE-CG 4.06Å; P353-E356 HydrophobicContact CG-CB 4.22Å; P353-E356 HydrophobicContact CG-CG 3.83Å; P353-E356 PolarHBondContact O-N 2.97Å; S354-E356 VanDerWaalsContact C-N 3.29Å; S354-E356 PolarHBondContact O-N 2.7Å; E356-K364 PolarHBondContact O-NZ 3.14Å
357	L	96.7	Very high	97.7	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.052	11%	0.106	C	C	.	.	S	Bend	trans	-81.3	139.1	172.6	-34.5	176.5	0	0	0	109.9	R66 T105 T109 M352 A361 K364	R66-L357 VanDerWaalsContact NH1-CB 3.31Å; R66-L357 PolarHBondContact NH1-O 3.13Å; R66-L357 VanDerWaalsContact NH2-C 3.32Å; R66-L357 PolarHBondContact NH2-O 2.98Å; T105-L357 HydrophobicContact CG2-CD1 4.04Å; T109-L357 HydrophobicContact CG2-CD1 4.27Å; M352-L357 HydrophobicContact CB-CD2 4.34Å; L357-A361 HydrophobicContact CB-CB 4.01Å; L357-K364 HydrophobicContact CD2-CB 3.46Å; L357-K364 VanDerWaalsContact CD2-CB 3.46Å
358	G	92.7	Very high	97.7	Very high	40 Å²	40	22 Å²	22	41%	0.412	11%	0.112	S	C	.	.			trans	-70.8	162.2	166.6	0	0	0	0	0	111.3	R66 S360 A361	R66-G358 PolarHBondContact NH2-O 2.93Å; G358-S360 PolarHBondContact O-N 2.92Å; G358-A361 PolarHBondContact O-N 2.81Å
359	D	94.1	Very high	97.7	Very high	66 Å²	66	19.2 Å²	19.2	35%	0.353	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31	-175.5	-68.5	-22.9	0	0	0	113.4	P102 N103 Y389	P102-D359 CarbonylContact C-O 3.53Å; N103-D359 WeakPolarHBondContact CB-O 3.22Å; N103-D359 PolarHBondContact N-O 3.36Å; D359-Y389 WeakPolarHBondContact O-CE2 3.31Å
360	S	96.2	Very high	97.6	Very high	10 Å²	10	20 Å²	20	7%	0.07	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-24.3	177.2	55.4	0	0	0	0	114.6	N103 C222 G358 C386 Y389	N103-S360 PolarHBondContact ND2-O 3.03Å; C222-S360 WeakPolarHBondContact O-CB 3.21Å; C222-S360 PolarHBondContact O-OG 3.33Å; G358-S360 PolarHBondContact O-N 2.92Å; S360-C386 VanDerWaalsContact O-CA 3.29Å; S360-C386 WeakPolarHBondContact O-CA 3.29Å; S360-Y389 VanDerWaalsContact CB-CD1 3.5Å
361	A	98.2	Very high	97.4	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.017	10%	0.104	C	C	.	.			trans	-83.8	122.5	-167.1	0	0	0	0	0	112.1	L357 G358	L357-A361 HydrophobicContact CB-CB 4.01Å; G358-A361 PolarHBondContact O-N 2.81Å
362	Y	98.6	Very high	97.2	Very high	24 Å²	24	20 Å²	20	9%	0.094	11%	0.105	C	C	.	.	S	Bend	trans	-79	-38.1	168.3	168.4	-112.6	0	0	0	111.9	F104 H106 P107 L322 I385 L387	F104-Y362 VanDerWaalsContact O-CA 3.28Å; F104-Y362 WeakPolarHBondContact O-CA 3.45Å; F104-Y362 VanDerWaalsContact O-CD2 3.22Å; F104-Y362 WeakPolarHBondContact O-CD2 3.44Å; H106-Y362 VanDerWaalsContact CA-CE2 3.41Å; H106-Y362 HydrophobicContact CB-CD1 4.07Å; H106-Y362 HydrophobicContact CB-CD2 4.27Å; H106-Y362 HydrophobicContact CB-CE1 3.75Å; H106-Y362 HydrophobicContact CB-CE2 3.9Å; H106-Y362 HydrophobicContact CB-CG 4.32Å; H106-Y362 WeakPolarHBondContact CB-O 3.43Å; H106-Y362 AromaticContact CD2-CE1 3.28Å; H106-Y362 WeakPolarHBondContact CD2-CE1 3.38Å; H106-Y362 AromaticContact CD2-CZ 3.52Å; H106-Y362 PolarHBondContact CD2-OH 2.88Å; H106-Y362 AromaticContact CG-CE1 3.85Å; H106-Y362 AromaticContact CG-CZ 3.8Å; H106-Y362 PolarHBondContact N-O 3.28Å; P107-Y362 WeakPolarHBondContact CD-OH 3.42Å; L322-Y362 HydrophobicContact CD2-CE1 4.06Å; Y362-I385 WeakPolarHBondContact CB-O 3.49Å; Y362-I385 HydrophobicContact CD1-CB 4.3Å; Y362-I385 HydrophobicContact CD1-CG2 4.09Å; Y362-I385 PolarHBondContact N-O 3.47Å; Y362-L387 HydrophobicContact CD1-CD1 3.79Å; Y362-L387 HydrophobicContact CD1-CD2 3.97Å; Y362-L387 HydrophobicContact CD1-CG 3.84Å; Y362-L387 HydrophobicContact CD2-CD1 3.61Å; Y362-L387 HydrophobicContact CD2-CG 4.4Å; Y362-L387 HydrophobicContact CE1-CD1 4.12Å; Y362-L387 HydrophobicContact CE1-CD2 4.31Å; Y362-L387 HydrophobicContact CE1-CG 4.47Å; Y362-L387 HydrophobicContact CE2-CD1 4.05Å; Y362-L387 HydrophobicContact CG-CD1 3.52Å; Y362-L387 HydrophobicContact CG-CD2 4.44Å; Y362-L387 HydrophobicContact CG-CG 3.8Å
363	R	98.4	Very high	96.8	Very high	33 Å²	33	20.3 Å²	20.3	13%	0.125	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144	177.4	-171.9	179.5	174	-160.2	-2.7	109.2	H106 F329 E351 S384 I385	H106-R363 HydrophobicContact CB-CB 3.9Å; H106-R363 HydrophobicContact CB-CG 4.23Å; F329-R363 HydrophobicContact CE1-CG 4.3Å; F329-R363 HydrophobicContact CZ-CG 4.48Å; E351-R363 WeakPolarHBondContact OE1-CG 3.47Å; E351-R363 IonicContact OE1-CZ 3.88Å; E351-R363 IonicContact OE1-NE 3.57Å; E351-R363 PolarHBondContact OE1-NE 3.35Å; E351-R363 IonicContact OE1-NH2 3.53Å; E351-R363 IonicContact OE2-CZ 3.14Å; E351-R363 IonicContact OE2-NE 3.73Å; E351-R363 PolarHBondContact OE2-NE 2.86Å; E351-R363 VanDerWaalsContact OE2-NE 3.1Å; E351-R363 IonicContact OE2-NH2 3.1Å; E351-R363 PolarHBondContact OE2-NH2 3.31Å; R363-S384 CarbonylContact O-C 3.6Å; R363-S384 WeakPolarHBondContact O-CA 3.32Å; R363-S384 WeakPolarHBondContact O-CB 3.2Å; R363-I385 HydrophobicContact CB-CB 4.36Å; R363-I385 HydrophobicContact CB-CD1 4.32Å; R363-I385 HydrophobicContact CB-CG1 4.35Å; R363-I385 PolarHBondContact N-O 3.26Å; R363-I385 PolarHBondContact O-N 3.21Å
364	K	98.6	Very high	96.4	Very high	28 Å²	28	22.6 Å²	22.6	12%	0.122	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.3	-179.5	-178.4	-175.5	171.1	-148.7	0	111.4	M352 E356 L357 D366 S383	M352-K364 HydrophobicContact CB-CB 4.15Å; M352-K364 HydrophobicContact CB-CD 4.21Å; M352-K364 HydrophobicContact CB-CG 4.17Å; M352-K364 WeakPolarHBondContact CB-O 3.26Å; M352-K364 HydrophobicContact CG-CB 4.48Å; M352-K364 HydrophobicContact CG-CD 4.13Å; M352-K364 HydrophobicContact CG-CG 4.02Å; M352-K364 PolarHBondContact N-O 2.96Å; E356-K364 PolarHBondContact O-NZ 3.14Å; L357-K364 HydrophobicContact CD2-CB 3.46Å; L357-K364 VanDerWaalsContact CD2-CB 3.46Å; K364-D366 VanDerWaalsContact CE-CG 3.44Å; K364-D366 WeakPolarHBondContact CE-OD1 3.4Å; K364-D366 WeakPolarHBondContact CE-OD2 3.35Å; K364-D366 IonicContact NZ-OD1 2.78Å; K364-D366 IonicContact NZ-OD2 3.95Å; K364-D366 PolarHBondContact NZ-OD2 2.69Å; K364-S383 CarbonylContact C-O 3.55Å; K364-S383 VanDerWaalsContact CA-O 3.29Å; K364-S383 WeakPolarHBondContact CA-O 3.45Å
365	V	98.7	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.8	172.6	166.9	0	0	0	0	109.2	I120 F329 I333 V349 L350 S382 S383	I120-V365 HydrophobicContact CD1-CG1 4.42Å; I120-V365 HydrophobicContact CD1-CG2 3.86Å; F329-V365 HydrophobicContact CE1-CB 4.39Å; F329-V365 HydrophobicContact CE1-CG2 3.78Å; F329-V365 HydrophobicContact CZ-CB 3.91Å; F329-V365 HydrophobicContact CZ-CG2 3.74Å; I333-V365 HydrophobicContact CD1-CB 3.91Å; I333-V365 HydrophobicContact CD1-CG1 3.97Å; I333-V365 HydrophobicContact CD1-CG2 3.9Å; I333-V365 HydrophobicContact CG1-CB 4.38Å; I333-V365 HydrophobicContact CG1-CG1 4.18Å; V349-V365 HydrophobicContact CG1-CG1 3.37Å; L350-V365 CarbonylContact O-C 3.59Å; L350-V365 VanDerWaalsContact O-CA 3.26Å; L350-V365 WeakPolarHBondContact O-CA 3.38Å; V365-S382 CarbonylContact O-C 3.6Å; V365-S382 WeakPolarHBondContact O-CA 3.42Å; V365-S383 PolarHBondContact N-O 2.87Å; V365-S383 PolarHBondContact O-N 2.84Å
366	D	98.7	Very high	95.9	Very high	2 Å²	2	27 Å²	27	1%	0.011	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.2	173.9	-72.6	-18.7	0	0	0	111.1	V349 L350 M352 K364 E379 S381 S382	V349-D366 WeakPolarHBondContact CA-O 3.4Å; L350-D366 PolarHBondContact N-O 3.38Å; L350-D366 PolarHBondContact O-N 3.07Å; M352-D366 WeakPolarHBondContact CE-OD2 3.34Å; M352-D366 HydrophobicContact CG-CB 3.9Å; M352-D366 VanDerWaalsContact CG-OD2 3.29Å; M352-D366 WeakPolarHBondContact CG-OD2 3.12Å; M352-D366 HydrophobicContact SD-CB 3.67Å; M352-D366 VanDerWaalsContact SD-OD2 3.41Å; K364-D366 VanDerWaalsContact CE-CG 3.44Å; K364-D366 WeakPolarHBondContact CE-OD1 3.4Å; K364-D366 WeakPolarHBondContact CE-OD2 3.35Å; K364-D366 IonicContact NZ-OD1 2.78Å; K364-D366 IonicContact NZ-OD2 3.95Å; K364-D366 PolarHBondContact NZ-OD2 2.69Å; D366-E379 HydrophobicContact CB-CG 4.16Å; D366-S381 WeakPolarHBondContact CA-O 3.35Å; D366-S382 WeakPolarHBondContact OD1-CA 3.38Å; D366-S382 WeakPolarHBondContact OD1-CB 3.24Å
367	I	98.8	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.2	169.8	-52.8	-167.3	0	0	0	108.3	Q336 I337 F340 F347 R348 V349 E379 I380 S381	Q336-I367 HydrophobicContact CB-CD1 3.62Å; I337-I367 HydrophobicContact CG1-CD1 4.08Å; F340-I367 HydrophobicContact CD2-CB 4.47Å; F340-I367 HydrophobicContact CD2-CD1 4.12Å; F340-I367 HydrophobicContact CD2-CG2 3.97Å; F340-I367 HydrophobicContact CE2-CB 4.34Å; F340-I367 HydrophobicContact CE2-CD1 4.06Å; F340-I367 HydrophobicContact CE2-CG2 4.33Å; F347-I367 HydrophobicContact CB-CG2 3.93Å; F347-I367 HydrophobicContact CD2-CG2 3.35Å; F347-I367 HydrophobicContact CE2-CG2 4.04Å; F347-I367 HydrophobicContact CG-CG2 3.8Å; R348-I367 WeakPolarHBondContact O-CA 3.34Å; V349-I367 HydrophobicContact CG1-CG1 4.37Å; V349-I367 HydrophobicContact CG2-CD1 4.13Å; V349-I367 HydrophobicContact CG2-CG1 4.08Å; V349-I367 HydrophobicContact CG2-CG2 4.49Å; I367-E379 WeakPolarHBondContact O-CA 2.79Å; I367-I380 HydrophobicContact CG2-CD1 4.42Å; I367-I380 HydrophobicContact CG2-CG1 4.33Å; I367-I380 VanDerWaalsContact O-CG1 3.28Å; I367-I380 WeakPolarHBondContact O-CG1 3.01Å; I367-I380 PolarHBondContact O-N 2.93Å; I367-S381 PolarHBondContact N-O 3.42Å; I367-S381 PolarHBondContact O-N 2.98Å
368	E	98.4	Very high	95.8	Very high	30 Å²	30	25.5 Å²	25.5	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.8	179.4	-55.8	-176.4	159.6	0	0	110.9	F347 R348 L350 Y377 G378 E379	F347-E368 CarbonylContact C-O 3.54Å; F347-E368 WeakPolarHBondContact CA-O 3.25Å; F347-E368 WeakPolarHBondContact CB-O 3.37Å; R348-E368 HydrophobicContact CG-CB 4.06Å; R348-E368 IonicContact CZ-OE2 2.64Å; R348-E368 PolarHBondContact N-O 2.92Å; R348-E368 IonicContact NE-OE2 3.13Å; R348-E368 PolarHBondContact NE-OE2 3.17Å; R348-E368 IonicContact NH2-OE2 3.06Å; R348-E368 PolarHBondContact NH2-OE2 3.1Å; R348-E368 PolarHBondContact O-N 3.29Å; L350-E368 HydrophobicContact CD1-CG 4.09Å; E368-Y377 HydrophobicContact CB-CD1 4.35Å; E368-Y377 WeakPolarHBondContact O-CD1 3.35Å; E368-Y377 WeakPolarHBondContact OE2-CB 3.33Å; E368-G378 CarbonylContact C-O 3.59Å; E368-G378 VanDerWaalsContact CA-O 3.23Å; E368-G378 WeakPolarHBondContact CA-O 3.26Å; E368-E379 HydrophobicContact CG-CB 4.38Å
369	A	98.4	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	143.4	174.6	0	0	0	0	0	111.1	H346 F347 M371 Y377 G378 I380 A424	H346-A369 WeakPolarHBondContact O-CA 3.33Å; F347-A369 HydrophobicContact CB-CB 4.31Å; A369-M371 PolarHBondContact O-N 3.08Å; A369-Y377 WeakPolarHBondContact O-CA 3.33Å; A369-G378 PolarHBondContact N-O 3.12Å; A369-G378 PolarHBondContact O-N 3.38Å; A369-I380 HydrophobicContact CB-CD1 3.82Å; A369-I380 HydrophobicContact CB-CG1 4.1Å; A369-I380 HydrophobicContact CB-CG2 3.77Å; A369-A424 HydrophobicContact CB-CB 4.17Å
370	W	97.4	Very high	96.2	Very high	18 Å²	18	22.6 Å²	22.6	7%	0.068	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.7	169.8	179.3	-114.1	0	0	0	109.9	K126 H346 P372 Q375 Y377	K126-W370 HydrophobicContact CD-CD2 4.1Å; K126-W370 HydrophobicContact CD-CH2 4.39Å; K126-W370 HydrophobicContact CD-CZ2 3.91Å; K126-W370 HydrophobicContact CG-CD2 4.21Å; K126-W370 HydrophobicContact CG-CG 4.16Å; K126-W370 VanDerWaalsContact NZ-CH2 3.32Å; H346-W370 HydrophobicContact CB-CB 4.29Å; H346-W370 PolarHBondContact O-N 3.34Å; W370-P372 WeakPolarHBondContact O-CD 3.32Å; W370-Q375 HydrophobicContact CH2-CB 4.15Å; W370-Q375 VanDerWaalsContact CH2-O 3.27Å; W370-Q375 WeakPolarHBondContact CH2-O 3.3Å; W370-Q375 VanDerWaalsContact CZ3-C 3.44Å; W370-Q375 WeakPolarHBondContact CZ3-O 3.37Å; W370-Y377 HydrophobicContact CB-CD1 4.17Å; W370-Y377 HydrophobicContact CB-CE1 3.79Å; W370-Y377 HydrophobicContact CE3-CD1 4.47Å; W370-Y377 AromaticContact CE3-CD2 3.77Å; W370-Y377 HydrophobicContact CE3-CD2 3.77Å; W370-Y377 HydrophobicContact CE3-CE1 4.42Å; W370-Y377 AromaticContact CE3-CE2 3.71Å; W370-Y377 HydrophobicContact CE3-CE2 3.71Å; W370-Y377 HydrophobicContact CE3-CG 4.16Å; W370-Y377 HydrophobicContact CZ3-CD2 4.18Å; W370-Y377 HydrophobicContact CZ3-CE2 4.21Å
371	M	94.5	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	90.6	179.2	-63.3	-172.5	-176.2	0	0	107.9	Y304 A369 G373 D374 Q375 I376 I380 K423 E427	Y304-M371 HydrophobicContact CD2-CE 3.64Å; Y304-M371 HydrophobicContact CD2-SD 3.93Å; Y304-M371 HydrophobicContact CE2-CE 3.71Å; Y304-M371 HydrophobicContact CE2-SD 4.32Å; A369-M371 PolarHBondContact O-N 3.08Å; M371-G373 PolarHBondContact O-N 2.98Å; M371-D374 PolarHBondContact O-N 3.44Å; M371-Q375 PolarHBondContact O-N 2.97Å; M371-I376 HydrophobicContact CB-CG1 4.45Å; M371-I376 PolarHBondContact N-O 3.12Å; M371-I376 PolarHBondContact O-N 2.95Å; M371-I380 HydrophobicContact CE-CG2 3.98Å; M371-K423 HydrophobicContact SD-CD 3.7Å; M371-K423 HydrophobicContact SD-CG 4.34Å; M371-K423 PolarHBondContact SD-NZ 3.39Å; M371-K423 VanDerWaalsContact SD-NZ 3.36Å; M371-E427 WeakPolarHBondContact CB-OE2 3.42Å
372	P	93.7	Very high	96.3	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.026	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.6	-168.1	24.9	-33.9	0	0	0	113.9	L133 W370 Q375 E427	L133-P372 HydrophobicContact CB-CB 4.05Å; L133-P372 HydrophobicContact CB-CG 4.43Å; L133-P372 HydrophobicContact CD1-CB 3.47Å; L133-P372 VanDerWaalsContact CD1-CB 3.47Å; L133-P372 HydrophobicContact CD1-CG 3.81Å; L133-P372 HydrophobicContact CG-CB 4.4Å; W370-P372 WeakPolarHBondContact O-CD 3.32Å; P372-Q375 PolarHBondContact O-NE2 3.34Å; P372-E427 HydrophobicContact CG-CB 3.93Å; P372-E427 WeakPolarHBondContact CG-O 3.27Å
373	G	90.5	Very high	96.3	Very high	18 Å²	18	22 Å²	22	19%	0.186	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-39.1	176.8	0	0	0	0	0	112.6	L134 M371 E427	L134-G373 VanDerWaalsContact C-CA 3.5Å; M371-G373 PolarHBondContact O-N 2.98Å; G373-E427 WeakPolarHBondContact CA-OE2 3.35Å; G373-E427 PolarHBondContact N-OE2 2.95Å
374	D	90.1	Very high	96.3	Very high	48 Å²	48	20.9 Å²	20.9	26%	0.257	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-8.3	176.5	-70.6	-36.9	0	0	0	113.3	P301 M371 I376 K423	P301-D374 VanDerWaalsContact CB-OD2 3.23Å; P301-D374 WeakPolarHBondContact CB-OD2 3.33Å; P301-D374 WeakPolarHBondContact CG-OD2 3.29Å; M371-D374 PolarHBondContact O-N 3.44Å; D374-I376 VanDerWaalsContact C-N 3.28Å; D374-I376 HydrophobicContact CB-CD1 4.12Å; D374-I376 HydrophobicContact CB-CG1 3.82Å; D374-I376 PolarHBondContact O-N 3.49Å; D374-K423 WeakPolarHBondContact OD2-CE 3.36Å; D374-K423 IonicContact OD2-NZ 3.8Å; D374-K423 PolarHBondContact OD2-NZ 3.12Å
375	Q	91.7	Very high	96.3	Very high	92 Å²	92	19.6 Å²	19.6	43%	0.43	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	35.2	-177.3	-61.8	-75.2	-16.1	0	0	113.7	E129 W370 M371 P372	E129-Q375 PolarHBondContact OE1-NE2 3.29Å; W370-Q375 HydrophobicContact CH2-CB 4.15Å; W370-Q375 VanDerWaalsContact CH2-O 3.27Å; W370-Q375 WeakPolarHBondContact CH2-O 3.3Å; W370-Q375 VanDerWaalsContact CZ3-C 3.44Å; W370-Q375 WeakPolarHBondContact CZ3-O 3.37Å; M371-Q375 PolarHBondContact O-N 2.97Å; P372-Q375 PolarHBondContact O-NE2 3.34Å
376	I	93.2	Very high	96.3	Very high	68 Å²	68	19.6 Å²	19.6	35%	0.349	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158.3	179.8	63.9	175.8	0	0	0	112	P301 M371 D374	P301-I376 HydrophobicContact CG-CD1 4.05Å; M371-I376 HydrophobicContact CB-CG1 4.45Å; M371-I376 PolarHBondContact N-O 3.12Å; M371-I376 PolarHBondContact O-N 2.95Å; D374-I376 VanDerWaalsContact C-N 3.28Å; D374-I376 HydrophobicContact CB-CD1 4.12Å; D374-I376 HydrophobicContact CB-CG1 3.82Å; D374-I376 PolarHBondContact O-N 3.49Å
377	Y	96	Very high	96.3	Very high	50 Å²	50	20.3 Å²	20.3	20%	0.196	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.9	159	-77.5	-83.8	0	0	0	109.1	K126 H346 R348 E368 A369 W370	K126-Y377 WeakPolarHBondContact CE-OH 3.08Å; H346-Y377 PolarHBondContact CD2-OH 3.11Å; H346-Y377 AromaticContact NE2-CZ 3.82Å; H346-Y377 PolarHBondContact NE2-OH 3.17Å; R348-Y377 HydrophobicContact CG-CD1 3.92Å; R348-Y377 HydrophobicContact CG-CE1 4.1Å; R348-Y377 HydrophobicContact CG-CG 4.41Å; E368-Y377 HydrophobicContact CB-CD1 4.35Å; E368-Y377 WeakPolarHBondContact O-CD1 3.35Å; E368-Y377 WeakPolarHBondContact OE2-CB 3.33Å; A369-Y377 WeakPolarHBondContact O-CA 3.33Å; W370-Y377 HydrophobicContact CB-CD1 4.17Å; W370-Y377 HydrophobicContact CB-CE1 3.79Å; W370-Y377 HydrophobicContact CE3-CD1 4.47Å; W370-Y377 AromaticContact CE3-CD2 3.77Å; W370-Y377 HydrophobicContact CE3-CD2 3.77Å; W370-Y377 HydrophobicContact CE3-CE1 4.42Å; W370-Y377 AromaticContact CE3-CE2 3.71Å; W370-Y377 HydrophobicContact CE3-CE2 3.71Å; W370-Y377 HydrophobicContact CE3-CG 4.16Å; W370-Y377 HydrophobicContact CZ3-CD2 4.18Å; W370-Y377 HydrophobicContact CZ3-CE2 4.21Å
378	G	95.5	Very high	96.2	Very high	2 Å²	2	22 Å²	22	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.7	175	0	0	0	0	0	111.5	Y304 E368 A369 I380	Y304-G378 WeakPolarHBondContact OH-CA 3.48Å; E368-G378 CarbonylContact C-O 3.59Å; E368-G378 VanDerWaalsContact CA-O 3.23Å; E368-G378 WeakPolarHBondContact CA-O 3.26Å; A369-G378 PolarHBondContact N-O 3.12Å; A369-G378 PolarHBondContact O-N 3.38Å; G378-I380 PolarHBondContact O-N 3.4Å
379	E	96.6	Very high	96.1	Very high	45 Å²	45	21.1 Å²	21.1	21%	0.21	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	116.3	174.4	-174.9	-150.5	110.9	0	0	110.7	Y304 D366 I367 E368 R420	Y304-E379 WeakPolarHBondContact CE2-O 3.01Å; Y304-E379 WeakPolarHBondContact OH-CB 3.28Å; Y304-E379 PolarHBondContact OH-N 2.87Å; D366-E379 HydrophobicContact CB-CG 4.16Å; I367-E379 WeakPolarHBondContact O-CA 2.79Å; E368-E379 HydrophobicContact CG-CB 4.38Å; E379-R420 WeakPolarHBondContact O-CD 3.38Å; E379-R420 PolarHBondContact O-NH1 2.98Å; E379-R420 IonicContact OE1-CZ 3.24Å; E379-R420 IonicContact OE1-NH1 2.67Å; E379-R420 PolarHBondContact OE1-NH1 2.83Å
380	I	97.9	Very high	96	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-13.3	174.3	54.3	160.9	0	0	0	112.5	F340 L345 I367 A369 M371 G378 R420 I421	F340-I380 HydrophobicContact CB-CD1 4.19Å; F340-I380 HydrophobicContact CD1-CD1 3.79Å; F340-I380 HydrophobicContact CD2-CD1 3.55Å; F340-I380 HydrophobicContact CD2-CG1 4.38Å; F340-I380 HydrophobicContact CE1-CD1 4.08Å; F340-I380 HydrophobicContact CE2-CD1 3.83Å; F340-I380 HydrophobicContact CE2-CG1 4.26Å; F340-I380 HydrophobicContact CG-CD1 3.55Å; F340-I380 HydrophobicContact CZ-CD1 4.1Å; L345-I380 HydrophobicContact CD1-CD1 4.23Å; I367-I380 HydrophobicContact CG2-CD1 4.42Å; I367-I380 HydrophobicContact CG2-CG1 4.33Å; I367-I380 VanDerWaalsContact O-CG1 3.28Å; I367-I380 WeakPolarHBondContact O-CG1 3.01Å; I367-I380 PolarHBondContact O-N 2.93Å; A369-I380 HydrophobicContact CB-CD1 3.82Å; A369-I380 HydrophobicContact CB-CG1 4.1Å; A369-I380 HydrophobicContact CB-CG2 3.77Å; M371-I380 HydrophobicContact CE-CG2 3.98Å; G378-I380 PolarHBondContact O-N 3.4Å; I380-R420 HydrophobicContact CG2-CB 4.27Å; I380-I421 HydrophobicContact CB-CD1 3.71Å; I380-I421 HydrophobicContact CD1-CD1 3.66Å; I380-I421 HydrophobicContact CG1-CD1 4.24Å; I380-I421 HydrophobicContact CG2-CD1 4.13Å
381	S	98.5	Very high	96	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	148.5	-172.8	179.7	0	0	0	0	111.2	Q336 F340 D366 I367 T414	Q336-S381 PolarHBondContact NE2-OG 3.16Å; F340-S381 VanDerWaalsContact CE2-CB 3.41Å; D366-S381 WeakPolarHBondContact CA-O 3.35Å; I367-S381 PolarHBondContact N-O 3.42Å; I367-S381 PolarHBondContact O-N 2.98Å; S381-T414 PolarHBondContact OG-O 2.89Å
382	S	97.8	Very high	96	Very high	22 Å²	22	23.1 Å²	23.1	15%	0.154	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.9	176.6	63.9	0	0	0	0	110.1	Q336 V365 D366 G413 T414	Q336-S382 PolarHBondContact NE2-O 3.11Å; V365-S382 CarbonylContact O-C 3.6Å; V365-S382 WeakPolarHBondContact O-CA 3.42Å; D366-S382 WeakPolarHBondContact OD1-CA 3.38Å; D366-S382 WeakPolarHBondContact OD1-CB 3.24Å; S382-G413 CarbonylContact O-C 3.58Å; S382-G413 WeakPolarHBondContact O-CA 3.43Å; S382-T414 PolarHBondContact O-N 3.2Å
383	S	98.7	Very high	96	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.5	170.9	-65.1	0	0	0	0	109.9	F329 I332 Q336 K364 V365 N412	F329-S383 WeakPolarHBondContact CE2-O 3.24Å; I332-S383 WeakPolarHBondContact CG2-OG 3.46Å; Q336-S383 PolarHBondContact NE2-OG 2.83Å; Q336-S383 PolarHBondContact OE1-OG 2.81Å; K364-S383 CarbonylContact C-O 3.55Å; K364-S383 VanDerWaalsContact CA-O 3.29Å; K364-S383 WeakPolarHBondContact CA-O 3.45Å; V365-S383 PolarHBondContact N-O 2.87Å; V365-S383 PolarHBondContact O-N 2.84Å; S383-N412 CarbonylContact C-O 3.58Å; S383-N412 VanDerWaalsContact CA-O 3.25Å; S383-N412 WeakPolarHBondContact CA-O 3.46Å
384	S	98.7	Very high	96.2	Very high	10 Å²	10	23 Å²	23	7%	0.07	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.8	175.9	-54.4	0	0	0	0	112.9	R363 L411 N412	R363-S384 CarbonylContact O-C 3.6Å; R363-S384 WeakPolarHBondContact O-CA 3.32Å; R363-S384 WeakPolarHBondContact O-CB 3.2Å; S384-L411 VanDerWaalsContact O-CA 3.3Å; S384-L411 WeakPolarHBondContact O-CA 3.28Å; S384-N412 VanDerWaalsContact CB-OD1 3.32Å; S384-N412 WeakPolarHBondContact CB-OD1 3.34Å; S384-N412 PolarHBondContact N-O 3.14Å; S384-N412 PolarHBondContact O-N 2.87Å; S384-N412 PolarHBondContact O-OD1 3.12Å
385	I	98.7	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124	162.2	-53.2	-177.5	0	0	0	106.3	D326 F329 Y362 R363 L387 L411	D326-I385 WeakPolarHBondContact OD1-CD1 3.41Å; F329-I385 HydrophobicContact CB-CD1 3.83Å; F329-I385 HydrophobicContact CB-CG1 3.9Å; F329-I385 HydrophobicContact CD1-CD1 3.91Å; F329-I385 HydrophobicContact CD1-CG1 4.09Å; F329-I385 HydrophobicContact CD2-CD1 4.17Å; F329-I385 HydrophobicContact CD2-CG1 3.47Å; F329-I385 VanDerWaalsContact CD2-CG1 3.47Å; F329-I385 HydrophobicContact CE1-CD1 4.48Å; F329-I385 HydrophobicContact CE1-CG1 4.47Å; F329-I385 HydrophobicContact CE2-CG1 3.91Å; F329-I385 HydrophobicContact CG-CD1 3.72Å; F329-I385 HydrophobicContact CG-CG1 3.57Å; F329-I385 HydrophobicContact CZ-CG1 4.39Å; Y362-I385 WeakPolarHBondContact CB-O 3.49Å; Y362-I385 HydrophobicContact CD1-CB 4.3Å; Y362-I385 HydrophobicContact CD1-CG2 4.09Å; Y362-I385 PolarHBondContact N-O 3.47Å; R363-I385 HydrophobicContact CB-CB 4.36Å; R363-I385 HydrophobicContact CB-CD1 4.32Å; R363-I385 HydrophobicContact CB-CG1 4.35Å; R363-I385 PolarHBondContact N-O 3.26Å; R363-I385 PolarHBondContact O-N 3.21Å; I385-L387 HydrophobicContact CG2-CD2 3.6Å; I385-L387 HydrophobicContact CG2-CG 4.1Å; I385-L411 HydrophobicContact CB-CD2 4.41Å; I385-L411 HydrophobicContact CG1-CD2 3.82Å; I385-L411 HydrophobicContact CG1-CG 4.48Å; I385-L411 HydrophobicContact CG2-CD2 4.4Å; I385-L411 HydrophobicContact CG2-CG 4.36Å
386	C	98.5	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-3.8	178.9	-62.7	0	0	0	0	112.8	N103 S360 D388 Y389 Q390 T410	N103-C386 PolarHBondContact ND2-O 2.96Å; S360-C386 VanDerWaalsContact O-CA 3.29Å; S360-C386 WeakPolarHBondContact O-CA 3.29Å; C386-D388 PolarHBondContact O-N 3.18Å; C386-Y389 WeakPolarHBondContact O-CB 3.35Å; C386-Y389 PolarHBondContact O-N 3.03Å; C386-Q390 HydrophobicContact CB-CG 4.17Å; C386-T410 WeakPolarHBondContact CA-O 3.22Å; C386-T410 WeakPolarHBondContact CB-O 3.36Å; C386-T410 WeakPolarHBondContact CB-OG1 3.46Å; C386-T410 PolarHBondContact N-O 3.39Å
387	L	98.2	Very high	96.5	Very high	17 Å²	17	17.4 Å²	17.4	9%	0.089	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.3	-133.5	-172	-56.6	-179.1	0	0	0	109.8	L322 Y362 I385 Y389 Y409 T410	L322-L387 HydrophobicContact CD2-CD2 3.7Å; Y362-L387 HydrophobicContact CD1-CD1 3.79Å; Y362-L387 HydrophobicContact CD1-CD2 3.97Å; Y362-L387 HydrophobicContact CD1-CG 3.84Å; Y362-L387 HydrophobicContact CD2-CD1 3.61Å; Y362-L387 HydrophobicContact CD2-CG 4.4Å; Y362-L387 HydrophobicContact CE1-CD1 4.12Å; Y362-L387 HydrophobicContact CE1-CD2 4.31Å; Y362-L387 HydrophobicContact CE1-CG 4.47Å; Y362-L387 HydrophobicContact CE2-CD1 4.05Å; Y362-L387 HydrophobicContact CG-CD1 3.52Å; Y362-L387 HydrophobicContact CG-CD2 4.44Å; Y362-L387 HydrophobicContact CG-CG 3.8Å; I385-L387 HydrophobicContact CG2-CD2 3.6Å; I385-L387 HydrophobicContact CG2-CG 4.1Å; L387-Y389 VanDerWaalsContact C-N 3.34Å; L387-Y409 HydrophobicContact CB-CD1 4.08Å; L387-Y409 HydrophobicContact CB-CE1 4.07Å; L387-Y409 HydrophobicContact CB-CG 4.33Å; L387-Y409 HydrophobicContact CD2-CD2 3.63Å; L387-Y409 HydrophobicContact CD2-CE2 3.56Å; L387-Y409 HydrophobicContact CD2-CG 4.17Å; L387-Y409 CarbonylContact O-C 3.57Å; L387-Y409 WeakPolarHBondContact O-CA 3.36Å; L387-T410 PolarHBondContact N-O 3.43Å; L387-T410 PolarHBondContact O-N 3.47Å; L387-T410 PolarHBondContact O-OG1 2.93Å
388	D	97.2	Very high	96.3	Very high	35 Å²	35	15 Å²	15	19%	0.187	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	10.9	-179.4	64.9	11.5	0	0	0	114.5	C386 Q390 S391 K392 F407 Y409	C386-D388 PolarHBondContact O-N 3.18Å; D388-Q390 PolarHBondContact O-N 2.97Å; D388-S391 WeakPolarHBondContact CA-OG 3.4Å; D388-S391 WeakPolarHBondContact CB-OG 3.28Å; D388-S391 PolarHBondContact O-N 3.28Å; D388-S391 PolarHBondContact O-OG 2.79Å; D388-S391 VanDerWaalsContact O-OG 3.12Å; D388-K392 HydrophobicContact CB-CD 4.25Å; D388-K392 HydrophobicContact CB-CG 4.25Å; D388-K392 VanDerWaalsContact CG-CE 3.47Å; D388-K392 WeakPolarHBondContact O-CB 3.43Å; D388-K392 VanDerWaalsContact O-CG 3.3Å; D388-K392 WeakPolarHBondContact O-CG 3.47Å; D388-K392 PolarHBondContact O-N 2.81Å; D388-K392 IonicContact OD1-NZ 2.85Å; D388-K392 PolarHBondContact OD1-NZ 3.36Å; D388-K392 VanDerWaalsContact OD1-NZ 3.14Å; D388-K392 WeakPolarHBondContact OD2-CE 3.48Å; D388-K392 IonicContact OD2-NZ 3.43Å; D388-K392 PolarHBondContact OD2-NZ 2.91Å; D388-F407 HydrophobicContact CB-CB 3.94Å; D388-Y409 HydrophobicContact CB-CD1 4.02Å; D388-Y409 HydrophobicContact CB-CE1 4.01Å
389	Y	96.8	Very high	96.1	Very high	12 Å²	12	18 Å²	18	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-58.8	-50.6	-176.9	-179.2	-79	0	0	0	112.1	N103 D359 S360 C386 L387 R393	N103-Y389 HydrophobicContact CB-CD2 3.92Å; D359-Y389 WeakPolarHBondContact O-CE2 3.31Å; S360-Y389 VanDerWaalsContact CB-CD1 3.5Å; C386-Y389 WeakPolarHBondContact O-CB 3.35Å; C386-Y389 PolarHBondContact O-N 3.03Å; L387-Y389 VanDerWaalsContact C-N 3.34Å; Y389-R393 WeakPolarHBondContact O-CD 3.3Å; Y389-R393 PolarHBondContact O-NH1 3.11Å; Y389-R393 PolarHBondContact OH-NH2 2.62Å
390	Q	96.8	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-77.9	-38.1	-177.1	-59.2	-178.5	-43.8	0	0	110.4	C222 E252 C386 D388 R393 L394 T410	C222-Q390 PolarHBondContact O-NE2 3.03Å; E252-Q390 PolarHBondContact OE1-NE2 3.09Å; C386-Q390 HydrophobicContact CB-CG 4.17Å; D388-Q390 PolarHBondContact O-N 2.97Å; Q390-R393 PolarHBondContact O-N 2.98Å; Q390-L394 HydrophobicContact CB-CD1 4.42Å; Q390-L394 WeakPolarHBondContact O-CB 3.22Å; Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.49Å; Q390-T410 HydrophobicContact CB-CG2 4.44Å; Q390-T410 PolarHBondContact OE1-OG1 2.87Å
391	S	96.3	Very high	94.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.3	-35.3	-178.4	63.7	0	0	0	0	113.4	D388 R393 L394 N395 I396 F407 A408	D388-S391 WeakPolarHBondContact CA-OG 3.4Å; D388-S391 WeakPolarHBondContact CB-OG 3.28Å; D388-S391 PolarHBondContact O-N 3.28Å; D388-S391 PolarHBondContact O-OG 2.79Å; D388-S391 VanDerWaalsContact O-OG 3.12Å; S391-R393 PolarHBondContact O-N 2.95Å; S391-L394 PolarHBondContact O-N 3.14Å; S391-N395 CarbonylContact O-C 3.53Å; S391-N395 WeakPolarHBondContact O-CA 3.47Å; S391-N395 PolarHBondContact O-N 3.22Å; S391-I396 WeakPolarHBondContact CB-O 3.13Å; S391-I396 PolarHBondContact O-N 2.87Å; S391-F407 WeakPolarHBondContact O-CD1 3.38Å; S391-A408 WeakPolarHBondContact CB-O 3.48Å; S391-A408 PolarHBondContact OG-O 2.81Å
392	K	94.7	Very high	93.6	Very high	61 Å²	61	26 Å²	26	27%	0.265	15%	0.146	S	C	.	.	H	α-helix	trans	-61.3	-31.7	171	-82.2	171	167	155.9	0	113.3	H44 D388 F407	H44-K392 HydrophobicContact CB-CB 4.46Å; H44-K392 HydrophobicContact CB-CG 4.38Å; H44-K392 PolarHBondContact N-O 3.43Å; D388-K392 HydrophobicContact CB-CD 4.25Å; D388-K392 HydrophobicContact CB-CG 4.25Å; D388-K392 VanDerWaalsContact CG-CE 3.47Å; D388-K392 WeakPolarHBondContact O-CB 3.43Å; D388-K392 VanDerWaalsContact O-CG 3.3Å; D388-K392 WeakPolarHBondContact O-CG 3.47Å; D388-K392 PolarHBondContact O-N 2.81Å; D388-K392 IonicContact OD1-NZ 2.85Å; D388-K392 PolarHBondContact OD1-NZ 3.36Å; D388-K392 VanDerWaalsContact OD1-NZ 3.14Å; D388-K392 WeakPolarHBondContact OD2-CE 3.48Å; D388-K392 IonicContact OD2-NZ 3.43Å; D388-K392 PolarHBondContact OD2-NZ 2.91Å; K392-F407 HydrophobicContact CB-CE1 4.46Å; K392-F407 HydrophobicContact CG-CB 4.29Å; K392-F407 HydrophobicContact CG-CD1 4.08Å; K392-F407 HydrophobicContact CG-CD2 3.68Å; K392-F407 HydrophobicContact CG-CE1 4.25Å; K392-F407 HydrophobicContact CG-CE2 3.87Å; K392-F407 HydrophobicContact CG-CG 3.76Å; K392-F407 HydrophobicContact CG-CZ 4.12Å
393	R	94.1	Very high	92.6	Very high	17 Å²	17	30.5 Å²	30.5	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-87.5	-36.1	179.3	-67.5	168	170.4	77	-2.5	111.8	F41 P43 C99 A221 Y389 Q390 S391	F41-R393 VanDerWaalsContact CA-O 3.25Å; F41-R393 WeakPolarHBondContact CA-O 3.29Å; F41-R393 VanDerWaalsContact CD1-O 3.26Å; F41-R393 WeakPolarHBondContact CD1-O 3.5Å; P43-R393 HydrophobicContact CB-CG 4.01Å; C99-R393 PolarHBondContact O-NH2 3.26Å; A221-R393 HydrophobicContact CB-CB 3.79Å; A221-R393 WeakPolarHBondContact O-CD 3.43Å; Y389-R393 WeakPolarHBondContact O-CD 3.3Å; Y389-R393 PolarHBondContact O-NH1 3.11Å; Y389-R393 PolarHBondContact OH-NH2 2.62Å; Q390-R393 PolarHBondContact O-N 2.98Å; S391-R393 PolarHBondContact O-N 2.95Å
394	L	94	Very high	91.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-94	1.6	-179	-65.1	167.6	0	0	0	113.1	F41 V218 A221 A256 A260 G261 Q390 S391 I396	F41-L394 HydrophobicContact CD1-CD2 3.68Å; F41-L394 HydrophobicContact CE1-CD2 3.48Å; F41-L394 VanDerWaalsContact CE1-CD2 3.48Å; V218-L394 HydrophobicContact CG1-CD2 4.41Å; A221-L394 HydrophobicContact CB-CD2 3.5Å; A221-L394 HydrophobicContact CB-CG 3.79Å; A256-L394 HydrophobicContact CB-CD1 3.5Å; A260-L394 CarbonylContact C-O 3.55Å; A260-L394 WeakPolarHBondContact CA-O 3.34Å; A260-L394 HydrophobicContact CB-CB 4.09Å; A260-L394 HydrophobicContact CB-CD2 4.2Å; G261-L394 PolarHBondContact N-O 2.83Å; Q390-L394 HydrophobicContact CB-CD1 4.42Å; Q390-L394 WeakPolarHBondContact O-CB 3.22Å; Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.49Å; S391-L394 PolarHBondContact O-N 3.14Å; L394-I396 VanDerWaalsContact C-N 3.3Å; L394-I396 HydrophobicContact CB-CD1 3.83Å; L394-I396 HydrophobicContact CB-CG1 3.76Å; L394-I396 HydrophobicContact CD1-CD1 3.88Å; L394-I396 PolarHBondContact O-N 3.44Å
395	N	93.6	Very high	91.3	Very high	35 Å²	35	39.3 Å²	39.3	19%	0.187	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	48.3	-170.8	-168.8	52	0	0	0	113.1	Y28 G261 S391 R397	Y28-N395 HydrophobicContact CE2-CB 4.06Å; G261-N395 WeakPolarHBondContact CA-O 3.49Å; G261-N395 PolarHBondContact N-O 3.39Å; S391-N395 CarbonylContact O-C 3.53Å; S391-N395 WeakPolarHBondContact O-CA 3.47Å; S391-N395 PolarHBondContact O-N 3.22Å; N395-R397 PolarHBondContact OD1-NE 2.6Å; N395-R397 PolarHBondContact OD1-NH2 3.04Å; N395-R397 VanDerWaalsContact OD1-NH2 3.09Å
396	I	94.7	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.			trans	-86.9	122.3	175	-56.3	169.9	0	0	0	107.8	C259 F264 I317 S391 L394 A408	C259-I396 HydrophobicContact CB-CD1 3.93Å; C259-I396 HydrophobicContact CB-CG1 4.24Å; C259-I396 HydrophobicContact CB-CG2 4.46Å; F264-I396 HydrophobicContact CD2-CG2 4.09Å; F264-I396 HydrophobicContact CE2-CG2 3.82Å; I317-I396 HydrophobicContact CD1-CG2 4.26Å; I317-I396 HydrophobicContact CG2-CG2 4.37Å; S391-I396 WeakPolarHBondContact CB-O 3.13Å; S391-I396 PolarHBondContact O-N 2.87Å; L394-I396 VanDerWaalsContact C-N 3.3Å; L394-I396 HydrophobicContact CB-CD1 3.83Å; L394-I396 HydrophobicContact CB-CG1 3.76Å; L394-I396 HydrophobicContact CD1-CD1 3.88Å; L394-I396 PolarHBondContact O-N 3.44Å; I396-A408 HydrophobicContact CG2-CB 4.05Å; I396-A408 PolarHBondContact O-N 3.21Å; I396-A408 VanDerWaalsContact O-N 3.11Å
397	R	94.2	Very high	90.9	Very high	55 Å²	55	43.7 Å²	43.7	21%	0.208	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	155.8	-173.3	-58.2	-70.4	-175.2	157.5	0.1	112.6	R262 S263 F264 N395 N405 E406 F407	R262-R397 PolarHBondContact O-N 3.37Å; S263-R397 WeakPolarHBondContact CA-O 3.15Å; F264-R397 PolarHBondContact N-O 2.74Å; N395-R397 PolarHBondContact OD1-NE 2.6Å; N395-R397 PolarHBondContact OD1-NH2 3.04Å; N395-R397 VanDerWaalsContact OD1-NH2 3.09Å; R397-N405 WeakPolarHBondContact CB-OD1 3.45Å; R397-E406 CarbonylContact C-O 3.45Å; R397-E406 WeakPolarHBondContact CA-O 3.43Å; R397-E406 WeakPolarHBondContact CB-O 3.38Å; R397-E406 VanDerWaalsContact CD-O 3.27Å; R397-E406 WeakPolarHBondContact CD-O 3.13Å; R397-F407 VanDerWaalsContact NH1-CE2 3.28Å; R397-F407 VanDerWaalsContact NH2-CE1 3.28Å
398	W	91.6	Very high	90.8	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125	169.2	-164.9	-81.8	0	0	0	109.3	F264 I317 T400 E406 A408	F264-W398 HydrophobicContact CB-CD2 4.27Å; F264-W398 HydrophobicContact CB-CE3 3.56Å; F264-W398 HydrophobicContact CB-CZ3 3.7Å; F264-W398 CarbonylContact O-C 3.56Å; F264-W398 WeakPolarHBondContact O-CA 3.46Å; I317-W398 HydrophobicContact CG2-CE3 3.9Å; I317-W398 HydrophobicContact CG2-CZ3 4.02Å; W398-T400 PolarHBondContact O-N 2.88Å; W398-E406 PolarHBondContact N-O 2.76Å; W398-E406 PolarHBondContact O-N 3.25Å; W398-A408 HydrophobicContact CB-CB 3.98Å
399	Q	90	Very high	90.9	Very high	65 Å²	65	43.1 Å²	43.1	30%	0.304	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.1	171.5	-171.4	177.1	10.4	0	0	108.6	F264 N265 N403 Q404	F264-Q399 PolarHBondContact O-N 3.19Å; N265-Q399 HydrophobicContact CB-CB 3.99Å; Q399-N403 PolarHBondContact NE2-OD1 3Å; Q399-Q404 CarbonylContact C-O 3.6Å; Q399-Q404 WeakPolarHBondContact CA-O 3.38Å
400	T	83	Confident	91	Very high	18 Å²	18	42.5 Å²	42.5	11%	0.11	22%	0.223	C	C	.	.			trans	-74	168.1	179.9	64.7	0	0	0	0	111.3	W398 S402 N403 Q404 E406	W398-T400 PolarHBondContact O-N 2.88Å; T400-S402 PolarHBondContact O-N 3.45Å; T400-S402 PolarHBondContact OG1-OG 2.94Å; T400-N403 WeakPolarHBondContact O-CA 3.31Å; T400-N403 PolarHBondContact O-N 3.1Å; T400-Q404 PolarHBondContact N-O 3.14Å; T400-Q404 WeakPolarHBondContact OG1-CB 3.25Å; T400-Q404 PolarHBondContact OG1-N 3.15Å; T400-Q404 VanDerWaalsContact OG1-N 3.13Å; T400-Q404 PolarHBondContact OG1-O 3.13Å; T400-E406 HydrophobicContact CG2-CG 4.46Å
401	S	77.9	Confident	91	Very high	123 Å²	123	42.5 Å²	42.5	86%	0.86	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.7	173.6	51.9	0	0	0	0	113	N403	S401-N403 PolarHBondContact O-N 3.32Å
402	S	79.3	Confident	91.1	Very high	72 Å²	72	43 Å²	43	50%	0.503	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	7	171.2	57.9	0	0	0	0	113.4	T400 Q404	T400-S402 PolarHBondContact O-N 3.45Å; T400-S402 PolarHBondContact OG1-OG 2.94Å; S402-Q404 PolarHBondContact O-N 2.85Å; S402-Q404 PolarHBondContact OG-OE1 3.49Å
403	N	77.3	Confident	91.3	Very high	118 Å²	118	40.1 Å²	40.1	63%	0.631	21%	0.213	S	C	*	.	S	Bend	trans	61.6	22.3	-177.4	-159.7	43.8	0	0	0	113.6	Q399 T400 S401	Q399-N403 PolarHBondContact NE2-OD1 3Å; T400-N403 WeakPolarHBondContact O-CA 3.31Å; T400-N403 PolarHBondContact O-N 3.1Å; S401-N403 PolarHBondContact O-N 3.32Å
404	Q	83.8	Confident	91.5	Very high	110 Å²	110	39.5 Å²	39.5	51%	0.514	21%	0.212	S	C	.	.			trans	-87	138.5	172.9	-65.8	172.8	-55.9	0	0	109.4	Q399 T400 S402 E406	Q399-Q404 CarbonylContact C-O 3.6Å; Q399-Q404 WeakPolarHBondContact CA-O 3.38Å; T400-Q404 PolarHBondContact N-O 3.14Å; T400-Q404 WeakPolarHBondContact OG1-CB 3.25Å; T400-Q404 PolarHBondContact OG1-N 3.15Å; T400-Q404 VanDerWaalsContact OG1-N 3.13Å; T400-Q404 PolarHBondContact OG1-O 3.13Å; S402-Q404 PolarHBondContact O-N 2.85Å; S402-Q404 PolarHBondContact OG-OE1 3.49Å; Q404-E406 HydrophobicContact CB-CG 4.27Å; Q404-E406 PolarHBondContact OE1-OE1 3.42Å
405	N	87.2	Confident	91.8	Very high	85 Å²	85	39.4 Å²	39.4	46%	0.455	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	83.4	-178.3	-168.9	41.5	0	0	0	110	S263 R397	S263-N405 PolarHBondContact OG-OD1 3.16Å; R397-N405 WeakPolarHBondContact CB-OD1 3.45Å
406	E	93	Very high	92	Very high	71 Å²	71	37.8 Å²	37.8	33%	0.332	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	169.4	-173.4	-68.6	177.1	-146.5	0	0	111.5	P320 R397 W398 T400 Q404	P320-E406 HydrophobicContact CG-CB 3.81Å; P320-E406 WeakPolarHBondContact CG-OE2 3.42Å; R397-E406 CarbonylContact C-O 3.45Å; R397-E406 WeakPolarHBondContact CA-O 3.43Å; R397-E406 WeakPolarHBondContact CB-O 3.38Å; R397-E406 VanDerWaalsContact CD-O 3.27Å; R397-E406 WeakPolarHBondContact CD-O 3.13Å; W398-E406 PolarHBondContact N-O 2.76Å; W398-E406 PolarHBondContact O-N 3.25Å; T400-E406 HydrophobicContact CG2-CG 4.46Å; Q404-E406 HydrophobicContact CB-CG 4.27Å; Q404-E406 PolarHBondContact OE1-OE1 3.42Å
407	F	95.3	Very high	92.1	Very high	21 Å²	21	38.1 Å²	38.1	9%	0.092	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128	171.9	-71.3	-72.5	0	0	0	109.8	H44 P320 D388 S391 K392 R397	H44-F407 HydrophobicContact CB-CE2 3.81Å; H44-F407 HydrophobicContact CB-CZ 3.56Å; H44-F407 AromaticContact CD2-CE2 3.59Å; H44-F407 AromaticContact CG-CE2 3.79Å; H44-F407 AromaticContact CG-CZ 3.89Å; P320-F407 WeakPolarHBondContact CB-O 3.21Å; D388-F407 HydrophobicContact CB-CB 3.94Å; S391-F407 WeakPolarHBondContact O-CD1 3.38Å; K392-F407 HydrophobicContact CB-CE1 4.46Å; K392-F407 HydrophobicContact CG-CB 4.29Å; K392-F407 HydrophobicContact CG-CD1 4.08Å; K392-F407 HydrophobicContact CG-CD2 3.68Å; K392-F407 HydrophobicContact CG-CE1 4.25Å; K392-F407 HydrophobicContact CG-CE2 3.87Å; K392-F407 HydrophobicContact CG-CG 3.76Å; K392-F407 HydrophobicContact CG-CZ 4.12Å; R397-F407 VanDerWaalsContact NH1-CE2 3.28Å; R397-F407 VanDerWaalsContact NH2-CE1 3.28Å
408	A	96.5	Very high	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-68.6	153.9	-179.3	0	0	0	0	0	111.2	I317 S391 I396 W398	I317-A408 HydrophobicContact CG2-CB 3.48Å; I317-A408 VanDerWaalsContact CG2-CB 3.48Å; S391-A408 WeakPolarHBondContact CB-O 3.48Å; S391-A408 PolarHBondContact OG-O 2.81Å; I396-A408 HydrophobicContact CG2-CB 4.05Å; I396-A408 PolarHBondContact O-N 3.21Å; I396-A408 VanDerWaalsContact O-N 3.11Å; W398-A408 HydrophobicContact CB-CB 3.98Å
409	Y	97.9	Very high	92.5	Very high	39 Å²	39	35.6 Å²	35.6	15%	0.153	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.9	167.5	-75.5	1	0	0	0	110.4	I317 T318 P320 L322 L387 D388	I317-Y409 CarbonylContact C-O 3.59Å; I317-Y409 WeakPolarHBondContact CA-O 3.49Å; T318-Y409 PolarHBondContact N-O 3.38Å; T318-Y409 PolarHBondContact O-N 2.9Å; T318-Y409 WeakPolarHBondContact OG1-CB 3.14Å; P320-Y409 HydrophobicContact CB-CD1 3.91Å; P320-Y409 HydrophobicContact CB-CE1 3.78Å; P320-Y409 HydrophobicContact CB-CG 4.38Å; L322-Y409 HydrophobicContact CD2-CE2 4.32Å; L322-Y409 HydrophobicContact CG-CE2 4.41Å; L387-Y409 HydrophobicContact CB-CD1 4.08Å; L387-Y409 HydrophobicContact CB-CE1 4.07Å; L387-Y409 HydrophobicContact CB-CG 4.33Å; L387-Y409 HydrophobicContact CD2-CD2 3.63Å; L387-Y409 HydrophobicContact CD2-CE2 3.56Å; L387-Y409 HydrophobicContact CD2-CG 4.17Å; L387-Y409 CarbonylContact O-C 3.57Å; L387-Y409 WeakPolarHBondContact O-CA 3.36Å; D388-Y409 HydrophobicContact CB-CD1 4.02Å; D388-Y409 HydrophobicContact CB-CE1 4.01Å
410	T	98.6	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142	-177	50.1	0	0	0	0	110.1	F315 A316 C386 L387 Q390	F315-T410 HydrophobicContact CE2-CG2 4.45Å; F315-T410 HydrophobicContact CZ-CG2 3.75Å; A316-T410 WeakPolarHBondContact O-CA 3.4Å; C386-T410 WeakPolarHBondContact CA-O 3.22Å; C386-T410 WeakPolarHBondContact CB-O 3.36Å; C386-T410 WeakPolarHBondContact CB-OG1 3.46Å; C386-T410 PolarHBondContact N-O 3.39Å; L387-T410 PolarHBondContact N-O 3.43Å; L387-T410 PolarHBondContact O-N 3.47Å; L387-T410 PolarHBondContact O-OG1 2.93Å; Q390-T410 HydrophobicContact CB-CG2 4.44Å; Q390-T410 PolarHBondContact OE1-OG1 2.87Å
411	L	98.4	Very high	93.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.1	175.8	-53.9	88.4	0	0	0	109.2	F315 A316 T318 S325 M328 F329 I332 S384 I385	F315-L411 CarbonylContact C-O 3.58Å; F315-L411 WeakPolarHBondContact CA-O 3.49Å; F315-L411 WeakPolarHBondContact CD2-O 3.39Å; A316-L411 HydrophobicContact CB-CB 4.25Å; A316-L411 HydrophobicContact CB-CD1 4.36Å; A316-L411 PolarHBondContact N-O 2.87Å; A316-L411 PolarHBondContact O-N 2.86Å; T318-L411 HydrophobicContact CG2-CD1 3.71Å; S325-L411 VanDerWaalsContact O-CD2 3.24Å; S325-L411 WeakPolarHBondContact O-CD2 3.45Å; M328-L411 HydrophobicContact CB-CD2 4.41Å; F329-L411 HydrophobicContact CB-CD2 3.75Å; F329-L411 HydrophobicContact CD2-CD2 4.25Å; F329-L411 HydrophobicContact CG-CD2 4.46Å; I332-L411 HydrophobicContact CD1-CB 4.45Å; S384-L411 VanDerWaalsContact O-CA 3.3Å; S384-L411 WeakPolarHBondContact O-CA 3.28Å; I385-L411 HydrophobicContact CB-CD2 4.41Å; I385-L411 HydrophobicContact CG1-CD2 3.82Å; I385-L411 HydrophobicContact CG1-CG 4.48Å; I385-L411 HydrophobicContact CG2-CD2 4.4Å; I385-L411 HydrophobicContact CG2-CG 4.36Å
412	N	98.6	Very high	94.3	Very high	10 Å²	10	27 Å²	27	5%	0.053	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157.3	175.8	66.9	-47.9	0	0	0	110.7	E252 M314 F315 S383 S384	E252-N412 HydrophobicContact CG-CB 3.82Å; E252-N412 PolarHBondContact OE2-ND2 3.45Å; M314-N412 CarbonylContact O-C 3.42Å; M314-N412 VanDerWaalsContact O-CA 3.26Å; M314-N412 WeakPolarHBondContact O-CA 3.38Å; F315-N412 HydrophobicContact CD2-CB 4.34Å; S383-N412 CarbonylContact C-O 3.58Å; S383-N412 VanDerWaalsContact CA-O 3.25Å; S383-N412 WeakPolarHBondContact CA-O 3.46Å; S384-N412 VanDerWaalsContact CB-OD1 3.32Å; S384-N412 WeakPolarHBondContact CB-OD1 3.34Å; S384-N412 PolarHBondContact N-O 3.14Å; S384-N412 PolarHBondContact O-N 2.87Å; S384-N412 PolarHBondContact O-OD1 3.12Å
413	G	98.5	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	128.1	177.1	0	0	0	0	0	112.7	M314 S382 A415	M314-G413 WeakPolarHBondContact CA-O 3.31Å; M314-G413 VanDerWaalsContact CB-O 3.23Å; M314-G413 WeakPolarHBondContact CB-O 3.4Å; M314-G413 WeakPolarHBondContact CE-O 3.27Å; M314-G413 PolarHBondContact N-O 2.91Å; M314-G413 PolarHBondContact O-N 3.27Å; S382-G413 CarbonylContact O-C 3.58Å; S382-G413 WeakPolarHBondContact O-CA 3.43Å; G413-A415 PolarHBondContact O-N 2.94Å
414	T	98.7	Very high	95.9	Very high	5 Å²	5	18 Å²	18	3%	0.031	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.4	179.2	-71.5	0	0	0	0	109.6	K311 E313 Q336 S381 S382 A417	K311-T414 HydrophobicContact CD-CG2 3.72Å; K311-T414 HydrophobicContact CG-CG2 4.01Å; E313-T414 WeakPolarHBondContact OE1-CA 3.43Å; E313-T414 PolarHBondContact OE1-N 3.37Å; E313-T414 PolarHBondContact OE1-OG1 3.48Å; Q336-T414 PolarHBondContact NE2-O 2.87Å; S381-T414 PolarHBondContact OG-O 2.89Å; S382-T414 PolarHBondContact O-N 3.2Å; T414-A417 HydrophobicContact CG2-CB 4.09Å
415	A	98.7	Very high	96.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-39.8	176.2	0	0	0	0	0	110.8	T196 L200 V312 M314 L339 G413	T196-A415 HydrophobicContact CG2-CB 3.59Å; L200-A415 HydrophobicContact CD1-CB 4Å; V312-A415 HydrophobicContact CB-CB 4.18Å; V312-A415 HydrophobicContact CG1-CB 4.07Å; V312-A415 PolarHBondContact O-N 3.24Å; M314-A415 HydrophobicContact CE-CB 3.97Å; M314-A415 HydrophobicContact CG-CB 4.2Å; M314-A415 HydrophobicContact SD-CB 4.38Å; L339-A415 HydrophobicContact CD1-CB 4.12Å; G413-A415 PolarHBondContact O-N 2.94Å
416	C	98.4	Very high	96.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	110.8	-179.5	-164.4	0	0	0	0	111.8	T196 K311 V312 I418	T196-C416 HydrophobicContact CG2-CB 3.73Å; T196-C416 WeakPolarHBondContact OG1-CB 3.5Å; K311-C416 CarbonylContact C-O 3.49Å; K311-C416 WeakPolarHBondContact CA-O 3.41Å; V312-C416 HydrophobicContact CB-CB 4.28Å; V312-C416 HydrophobicContact CG2-CB 4.24Å; V312-C416 PolarHBondContact N-O 3.4Å; V312-C416 PolarHBondContact O-N 2.98Å; C416-I418 HydrophobicContact CB-CD1 4.28Å; C416-I418 VanDerWaalsContact SG-CD1 3.54Å
417	A	97.7	Very high	96.7	Very high	6 Å²	6	5.4 Å²	5.4	5%	0.05	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	98.8	166.8	0	0	0	0	0	109.3	T414 R420 I421	T414-A417 HydrophobicContact CG2-CB 4.09Å; A417-R420 HydrophobicContact CB-CB 4.41Å; A417-R420 PolarHBondContact O-N 3.46Å; A417-R420 VanDerWaalsContact O-N 3.12Å; A417-I421 WeakPolarHBondContact O-CG1 3.03Å; A417-I421 PolarHBondContact O-N 2.8Å
418	I	97.8	Very high	96.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-56.4	-49.6	-160	-55.6	-69.3	0	0	0	113.3	E189 L192 I193 T310 C416 R420 I421 M422	E189-I418 HydrophobicContact CB-CG2 4.18Å; E189-I418 HydrophobicContact CG-CG2 3.92Å; L192-I418 HydrophobicContact CB-CD1 3.82Å; L192-I418 HydrophobicContact CD1-CG2 4.23Å; I193-I418 HydrophobicContact CG1-CD1 3.61Å; I193-I418 HydrophobicContact CG1-CG1 3.98Å; T310-I418 HydrophobicContact CG2-CG1 4.12Å; T310-I418 WeakPolarHBondContact O-CB 3.39Å; T310-I418 VanDerWaalsContact O-CG1 3.3Å; T310-I418 WeakPolarHBondContact O-CG1 3.33Å; T310-I418 PolarHBondContact O-N 2.87Å; C416-I418 HydrophobicContact CB-CD1 4.28Å; C416-I418 VanDerWaalsContact SG-CD1 3.54Å; I418-R420 VanDerWaalsContact C-N 3.32Å; I418-R420 PolarHBondContact O-N 3.31Å; I418-I421 PolarHBondContact O-N 3.47Å; I418-M422 HydrophobicContact CG2-CG 4Å; I418-M422 WeakPolarHBondContact O-CB 3.43Å; I418-M422 VanDerWaalsContact O-CG 3.25Å; I418-M422 WeakPolarHBondContact O-CG 3.14Å; I418-M422 PolarHBondContact O-N 2.88Å
419	P	95.1	Very high	96.5	Very high	3 Å²	3	6.7 Å²	6.7	2%	0.019	3%	0.032	C	C	.	.	H	α-helix	trans	-65.7	-33	-177.6	-27.4	40.6	0	0	0	114.1	Y179 L303 V306 F309 M422 K423	Y179-P419 HydrophobicContact CE1-CB 4.36Å; Y179-P419 HydrophobicContact CE1-CG 3.79Å; Y179-P419 WeakPolarHBondContact OH-CG 3.47Å; L303-P419 WeakPolarHBondContact O-CB 3.49Å; V306-P419 HydrophobicContact CG2-CB 4.48Å; V306-P419 HydrophobicContact CG2-CG 4.36Å; F309-P419 HydrophobicContact CB-CG 3.51Å; P419-M422 PolarHBondContact O-N 3.29Å; P419-K423 WeakPolarHBondContact O-CB 3.27Å; P419-K423 PolarHBondContact O-N 3.08Å
420	R	95.4	Very high	96.3	Very high	25 Å²	25	4.9 Å²	4.9	9%	0.094	3%	0.025	C	C	.	.	H	α-helix	trans	-70	-40.4	177	-63.2	-163.9	179.7	166.9	-1.3	111.3	Y304 E379 I380 A417 I418 K423 A424	Y304-R420 HydrophobicContact CD2-CG 4.2Å; Y304-R420 WeakPolarHBondContact O-CG 3.45Å; Y304-R420 PolarHBondContact O-NE 2.74Å; E379-R420 WeakPolarHBondContact O-CD 3.38Å; E379-R420 PolarHBondContact O-NH1 2.98Å; E379-R420 IonicContact OE1-CZ 3.24Å; E379-R420 IonicContact OE1-NH1 2.67Å; E379-R420 PolarHBondContact OE1-NH1 2.83Å; I380-R420 HydrophobicContact CG2-CB 4.27Å; A417-R420 HydrophobicContact CB-CB 4.41Å; A417-R420 PolarHBondContact O-N 3.46Å; A417-R420 VanDerWaalsContact O-N 3.12Å; I418-R420 VanDerWaalsContact C-N 3.32Å; I418-R420 PolarHBondContact O-N 3.31Å; R420-K423 PolarHBondContact O-N 2.68Å; R420-A424 PolarHBondContact O-N 2.9Å
421	I	97.6	Very high	95.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-67.8	-41.6	174.6	-61.5	-64.8	0	0	0	110.9	L192 F340 L343 L345 I380 A417 I418 K423 A424 L425	L192-I421 HydrophobicContact CD1-CG2 4.08Å; L192-I421 HydrophobicContact CD2-CG2 3.8Å; F340-I421 HydrophobicContact CD1-CD1 3.78Å; F340-I421 HydrophobicContact CE1-CD1 3.54Å; F340-I421 HydrophobicContact CE1-CG1 4.44Å; F340-I421 HydrophobicContact CZ-CD1 4.34Å; L343-I421 HydrophobicContact CD1-CG2 3.8Å; L345-I421 HydrophobicContact CD1-CD1 4.41Å; I380-I421 HydrophobicContact CB-CD1 3.71Å; I380-I421 HydrophobicContact CD1-CD1 3.66Å; I380-I421 HydrophobicContact CG1-CD1 4.24Å; I380-I421 HydrophobicContact CG2-CD1 4.13Å; A417-I421 WeakPolarHBondContact O-CG1 3.03Å; A417-I421 PolarHBondContact O-N 2.8Å; I418-I421 PolarHBondContact O-N 3.47Å; I421-K423 PolarHBondContact O-N 3.22Å; I421-A424 PolarHBondContact O-N 2.93Å; I421-L425 HydrophobicContact CG2-CD1 3.8Å; I421-L425 HydrophobicContact CG2-CG 4.24Å; I421-L425 WeakPolarHBondContact O-CB 3.41Å; I421-L425 VanDerWaalsContact O-CG 3.31Å; I421-L425 WeakPolarHBondContact O-CG 3.36Å; I421-L425 PolarHBondContact O-N 3.25Å
422	M	95.6	Very high	95.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56.4	-48.7	172.7	-75.8	-72.5	-73.9	0	0	111.2	F181 L185 L188 L192 I418 P419 A424 L425 I426	F181-M422 HydrophobicContact CD1-CE 3.97Å; F181-M422 HydrophobicContact CD2-CE 4.42Å; F181-M422 HydrophobicContact CE1-CE 3.7Å; F181-M422 HydrophobicContact CE2-CE 4.19Å; F181-M422 HydrophobicContact CE2-CG 4.2Å; F181-M422 HydrophobicContact CG-CE 4.34Å; F181-M422 HydrophobicContact CZ-CB 4Å; F181-M422 HydrophobicContact CZ-CE 3.84Å; F181-M422 HydrophobicContact CZ-CG 3.97Å; L185-M422 HydrophobicContact CB-CE 4.13Å; L185-M422 HydrophobicContact CD2-CE 4.14Å; L188-M422 HydrophobicContact CB-CE 4.19Å; L188-M422 HydrophobicContact CB-SD 4.09Å; L188-M422 HydrophobicContact CD2-CE 3.94Å; L188-M422 HydrophobicContact CD2-SD 3.63Å; L188-M422 HydrophobicContact CG-CE 4.21Å; L188-M422 HydrophobicContact CG-SD 3.6Å; L192-M422 HydrophobicContact CD1-CG 3.79Å; L192-M422 HydrophobicContact CD1-SD 3.59Å; L192-M422 VanDerWaalsContact CD1-SD 3.59Å; I418-M422 HydrophobicContact CG2-CG 4Å; I418-M422 WeakPolarHBondContact O-CB 3.43Å; I418-M422 VanDerWaalsContact O-CG 3.25Å; I418-M422 WeakPolarHBondContact O-CG 3.14Å; I418-M422 PolarHBondContact O-N 2.88Å; P419-M422 PolarHBondContact O-N 3.29Å; M422-A424 PolarHBondContact O-N 3.39Å; M422-L425 PolarHBondContact O-N 3.04Å; M422-I426 HydrophobicContact CE-CD1 4.39Å; M422-I426 WeakPolarHBondContact O-CB 3.39Å; M422-I426 WeakPolarHBondContact O-CD1 3.32Å; M422-I426 WeakPolarHBondContact O-CG1 3.4Å; M422-I426 PolarHBondContact O-N 3.28Å
423	K	94.8	Very high	94.8	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-57	-51.3	176.1	-175.2	-173.7	-175.6	-54.7	0	111.5	L303 M371 D374 P419 R420 I421 L425 I426 E427	L303-K423 HydrophobicContact CB-CB 4.25Å; M371-K423 HydrophobicContact SD-CD 3.7Å; M371-K423 HydrophobicContact SD-CG 4.34Å; M371-K423 PolarHBondContact SD-NZ 3.39Å; M371-K423 VanDerWaalsContact SD-NZ 3.36Å; D374-K423 WeakPolarHBondContact OD2-CE 3.36Å; D374-K423 IonicContact OD2-NZ 3.8Å; D374-K423 PolarHBondContact OD2-NZ 3.12Å; P419-K423 WeakPolarHBondContact O-CB 3.27Å; P419-K423 PolarHBondContact O-N 3.08Å; R420-K423 PolarHBondContact O-N 2.68Å; I421-K423 PolarHBondContact O-N 3.22Å; K423-L425 VanDerWaalsContact C-N 3.34Å; K423-L425 PolarHBondContact O-N 2.71Å; K423-I426 PolarHBondContact O-N 2.7Å; K423-E427 WeakPolarHBondContact CE-OE1 3.3Å; K423-E427 WeakPolarHBondContact CG-OE1 3.24Å; K423-E427 VanDerWaalsContact NZ-CD 3.27Å; K423-E427 IonicContact NZ-OE1 2.62Å; K423-E427 PolarHBondContact NZ-OE1 3.5Å; K423-E427 IonicContact NZ-OE2 3.92Å; K423-E427 PolarHBondContact NZ-OE2 3.39Å; K423-E427 WeakPolarHBondContact O-CG 3.42Å; K423-E427 PolarHBondContact O-N 2.64Å; K423-E427 VanDerWaalsContact O-N 3.09Å
424	A	95.8	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-42.4	179.9	0	0	0	0	0	112.3	L345 A369 R420 I421 M422 T428	L345-A424 HydrophobicContact CD1-CB 4.18Å; L345-A424 HydrophobicContact CD2-CB 4.03Å; A369-A424 HydrophobicContact CB-CB 4.17Å; R420-A424 PolarHBondContact O-N 2.9Å; I421-A424 PolarHBondContact O-N 2.93Å; M422-A424 PolarHBondContact O-N 3.39Å; A424-T428 WeakPolarHBondContact O-CB 3.47Å; A424-T428 PolarHBondContact O-N 3.12Å; A424-T428 PolarHBondContact O-OG1 3.42Å
425	L	95.4	Very high	93.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-49.7	177.9	-78.2	171.6	0	0	0	112.5	L192 L343 L345 I421 M422 K423 E427 T428 H429 P439 L442	L192-L425 HydrophobicContact CD1-CD1 4.06Å; L192-L425 HydrophobicContact CD2-CD1 3.84Å; L192-L425 HydrophobicContact CG-CD1 4.39Å; L343-L425 HydrophobicContact CB-CD2 4.13Å; L343-L425 HydrophobicContact CD2-CD1 4.43Å; L343-L425 HydrophobicContact CD2-CD2 4.42Å; L345-L425 HydrophobicContact CD2-CD2 4.02Å; L345-L425 HydrophobicContact CD2-CG 4.36Å; I421-L425 HydrophobicContact CG2-CD1 3.8Å; I421-L425 HydrophobicContact CG2-CG 4.24Å; I421-L425 WeakPolarHBondContact O-CB 3.41Å; I421-L425 VanDerWaalsContact O-CG 3.31Å; I421-L425 WeakPolarHBondContact O-CG 3.36Å; I421-L425 PolarHBondContact O-N 3.25Å; M422-L425 PolarHBondContact O-N 3.04Å; K423-L425 VanDerWaalsContact C-N 3.34Å; K423-L425 PolarHBondContact O-N 2.71Å; L425-E427 VanDerWaalsContact C-N 3.31Å; L425-E427 PolarHBondContact O-N 3.45Å; L425-T428 PolarHBondContact O-N 3.28Å; L425-H429 WeakPolarHBondContact O-CB 3.42Å; L425-H429 PolarHBondContact O-N 2.97Å; L425-P439 HydrophobicContact CD2-CG 3.62Å; L425-L442 HydrophobicContact CD1-CD1 4.06Å
426	I	93.1	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-46.2	-178.6	-68.2	164.9	0	0	0	110.1	V136 I139 M422 K423 Q430 I436	V136-I426 HydrophobicContact CG2-CB 4.2Å; V136-I426 HydrophobicContact CG2-CD1 3.62Å; V136-I426 HydrophobicContact CG2-CG2 3.87Å; I139-I426 HydrophobicContact CD1-CG2 4.23Å; I139-I426 HydrophobicContact CG2-CG2 3.8Å; M422-I426 HydrophobicContact CE-CD1 4.39Å; M422-I426 WeakPolarHBondContact O-CB 3.39Å; M422-I426 WeakPolarHBondContact O-CD1 3.32Å; M422-I426 WeakPolarHBondContact O-CG1 3.4Å; M422-I426 PolarHBondContact O-N 3.28Å; K423-I426 PolarHBondContact O-N 2.7Å; I426-Q430 PolarHBondContact O-N 3.41Å; I426-I436 HydrophobicContact CB-CD1 4.14Å; I426-I436 HydrophobicContact CG1-CD1 3.7Å; I426-I436 HydrophobicContact CG2-CD1 3.85Å; I426-I436 HydrophobicContact CG2-CG1 4.16Å
427	E	93.7	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73.2	-39.2	-177.8	-66.9	-177.9	-163.4	0	0	112.7	V136 M371 P372 G373 K423 L425 Q430	V136-E427 PolarHBondContact N-OE1 3.05Å; M371-E427 WeakPolarHBondContact CB-OE2 3.42Å; P372-E427 HydrophobicContact CG-CB 3.93Å; P372-E427 WeakPolarHBondContact CG-O 3.27Å; G373-E427 WeakPolarHBondContact CA-OE2 3.35Å; G373-E427 PolarHBondContact N-OE2 2.95Å; K423-E427 WeakPolarHBondContact CE-OE1 3.3Å; K423-E427 WeakPolarHBondContact CG-OE1 3.24Å; K423-E427 VanDerWaalsContact NZ-CD 3.27Å; K423-E427 IonicContact NZ-OE1 2.62Å; K423-E427 PolarHBondContact NZ-OE1 3.5Å; K423-E427 IonicContact NZ-OE2 3.92Å; K423-E427 PolarHBondContact NZ-OE2 3.39Å; K423-E427 WeakPolarHBondContact O-CG 3.42Å; K423-E427 PolarHBondContact O-N 2.64Å; K423-E427 VanDerWaalsContact O-N 3.09Å; L425-E427 VanDerWaalsContact C-N 3.31Å; L425-E427 PolarHBondContact O-N 3.45Å; E427-Q430 PolarHBondContact O-NE2 3.29Å
428	T	94.1	Very high	92.7	Very high	16 Å²	16	25.7 Å²	25.7	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-70.2	-42.5	-177.9	-61.9	0	0	0	0	112.1	R127 L345 A424 L425	R127-T428 PolarHBondContact NH1-O 2.81Å; L345-T428 HydrophobicContact CD2-CG2 4.49Å; A424-T428 WeakPolarHBondContact O-CB 3.47Å; A424-T428 PolarHBondContact O-N 3.12Å; A424-T428 PolarHBondContact O-OG1 3.42Å; L425-T428 PolarHBondContact O-N 3.28Å
429	H	93.4	Very high	92.5	Very high	32 Å²	32	26.3 Å²	26.3	15%	0.148	13%	0.13	C	C	.	.	S	Bend	trans	-99.6	13.4	-170.6	-64.3	-61.9	0	0	0	114.2	L343 L425 I436 I437	L343-H429 PolarHBondContact O-NE2 3.33Å; L425-H429 WeakPolarHBondContact O-CB 3.42Å; L425-H429 PolarHBondContact O-N 2.97Å; H429-I436 HydrophobicContact CB-CG2 4.06Å; H429-I437 HydrophobicContact CB-CB 4.28Å; H429-I437 WeakPolarHBondContact CB-O 3.44Å; H429-I437 PolarHBondContact O-N 2.79Å
430	Q	92.1	Very high	92.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-66.1	143.6	176.1	69.6	-171.9	-73.5	0	0	112.5	R127 W131 L133 L134 I139 I426 E427 H435	R127-Q430 PolarHBondContact NH1-O 2.91Å; R127-Q430 PolarHBondContact NH2-O 2.82Å; W131-Q430 WeakPolarHBondContact CZ2-O 3.41Å; L133-Q430 HydrophobicContact CD2-CG 3.34Å; L134-Q430 PolarHBondContact O-NE2 2.71Å; I139-Q430 HydrophobicContact CD1-CB 3.52Å; I139-Q430 HydrophobicContact CD1-CG 4.39Å; I426-Q430 PolarHBondContact O-N 3.41Å; E427-Q430 PolarHBondContact O-NE2 3.29Å; Q430-H435 CarbonylContact C-O 3.52Å; Q430-H435 WeakPolarHBondContact CA-O 3.18Å
431	T	90.4	Very high	92.3	Very high	26 Å²	26	32.6 Å²	32.6	16%	0.16	17%	0.167	C	C	.	.			trans	-93.5	172.9	171.8	69	0	0	0	0	110.5	W131 D433 K434 H435 I437	W131-T431 PolarHBondContact NE1-O 2.84Å; T431-D433 PolarHBondContact O-N 3.19Å; T431-D433 PolarHBondContact OG1-N 3.22Å; T431-K434 PolarHBondContact O-N 3.08Å; T431-K434 VanDerWaalsContact O-N 3.08Å; T431-H435 HydrophobicContact CG2-CB 4.44Å; T431-H435 PolarHBondContact N-O 3.19Å; T431-H435 PolarHBondContact OG1-N 3.44Å; T431-H435 PolarHBondContact OG1-O 3.07Å; T431-I437 HydrophobicContact CG2-CD1 3.86Å; T431-I437 HydrophobicContact CG2-CG1 3.69Å
432	Q	88.5	Confident	92.1	Very high	141 Å²	141	32.6 Å²	32.6	66%	0.659	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-33.3	175.1	-175.8	175.5	-16.5	0	0	111.5	W131 K434	W131-Q432 HydrophobicContact CD2-CB 3.94Å; W131-Q432 HydrophobicContact CD2-CG 4.35Å; W131-Q432 HydrophobicContact CE3-CB 3.98Å; W131-Q432 HydrophobicContact CE3-CG 4.44Å; W131-Q432 HydrophobicContact CG-CB 4.47Å; W131-Q432 HydrophobicContact CG-CG 4.48Å; W131-Q432 HydrophobicContact CH2-CB 4.29Å; W131-Q432 HydrophobicContact CZ2-CB 4.25Å; W131-Q432 HydrophobicContact CZ3-CB 4.17Å; Q432-K434 PolarHBondContact O-N 3.24Å
433	D	86	Confident	91.8	Very high	124 Å²	124	34.7 Å²	34.7	66%	0.663	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	14.1	177.4	-54.4	-45.9	0	0	0	113.3	T431 H435	T431-D433 PolarHBondContact O-N 3.19Å; T431-D433 PolarHBondContact OG1-N 3.22Å; D433-H435 PolarHBondContact O-N 3.33Å; D433-H435 VanDerWaalsContact O-N 3.17Å
434	K	86.8	Confident	91.6	Very high	81 Å²	81	39.2 Å²	39.2	35%	0.352	21%	0.207	S	C	.	.	S	Bend	trans	63.8	13.2	179.4	-52	175.8	-177	177.2	0	115.2	L134 I139 P161 T431 Q432	L134-K434 HydrophobicContact CD1-CD 4.25Å; L134-K434 HydrophobicContact CD1-CG 4.43Å; I139-K434 HydrophobicContact CG1-CB 3.92Å; I139-K434 HydrophobicContact CG1-CG 4.49Å; P161-K434 WeakPolarHBondContact CD-O 3.44Å; T431-K434 PolarHBondContact O-N 3.08Å; T431-K434 VanDerWaalsContact O-N 3.08Å; Q432-K434 PolarHBondContact O-N 3.24Å
435	H	88.8	Confident	91.3	Very high	25 Å²	25	42 Å²	42	12%	0.116	22%	0.218	C	C	.	.			trans	-76.4	160.4	167.5	-63.7	177.5	0	0	0	110.4	I159 Q430 T431 D433	I159-H435 CarbonylContact O-C 3.58Å; I159-H435 WeakPolarHBondContact O-CA 3.38Å; Q430-H435 CarbonylContact C-O 3.52Å; Q430-H435 WeakPolarHBondContact CA-O 3.18Å; T431-H435 HydrophobicContact CG2-CB 4.44Å; T431-H435 PolarHBondContact N-O 3.19Å; T431-H435 PolarHBondContact OG1-N 3.44Å; T431-H435 PolarHBondContact OG1-O 3.07Å; D433-H435 PolarHBondContact O-N 3.33Å; D433-H435 VanDerWaalsContact O-N 3.17Å
436	I	90.3	Very high	90.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.8	175.8	-55.9	153.5	0	0	0	108.2	T158 I159 P161 L185 I426 H429 I438	T158-I436 CarbonylContact C-O 3.53Å; T158-I436 VanDerWaalsContact CA-O 3.22Å; T158-I436 WeakPolarHBondContact CA-O 3.42Å; I159-I436 PolarHBondContact N-O 3.04Å; I159-I436 PolarHBondContact O-N 3.41Å; P161-I436 HydrophobicContact CB-CD1 3.52Å; P161-I436 HydrophobicContact CB-CG1 4.46Å; P161-I436 HydrophobicContact CG-CD1 3.65Å; P161-I436 HydrophobicContact CG-CG1 4.06Å; L185-I436 HydrophobicContact CD2-CD1 4.22Å; I426-I436 HydrophobicContact CB-CD1 4.14Å; I426-I436 HydrophobicContact CG1-CD1 3.7Å; I426-I436 HydrophobicContact CG2-CD1 3.85Å; I426-I436 HydrophobicContact CG2-CG1 4.16Å; H429-I436 HydrophobicContact CB-CG2 4.06Å; I436-I438 HydrophobicContact CG2-CD1 4.35Å; I436-I438 PolarHBondContact O-N 3.35Å
437	I	91.5	Very high	89.5	Confident	58 Å²	58	48.9 Å²	48.9	30%	0.297	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.7	168.9	-61.8	166.3	0	0	0	108	T158 H429 T431 P439	T158-I437 HydrophobicContact CG2-CG1 4Å; H429-I437 HydrophobicContact CB-CB 4.28Å; H429-I437 WeakPolarHBondContact CB-O 3.44Å; H429-I437 PolarHBondContact O-N 2.79Å; T431-I437 HydrophobicContact CG2-CD1 3.86Å; T431-I437 HydrophobicContact CG2-CG1 3.69Å; I437-P439 WeakPolarHBondContact O-CD 3.49Å
438	I	91.5	Very high	87.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-83.2	124.9	178.3	-55.5	-57.2	0	0	0	108.8	I157 I159 L188 I436 D440 L442 I443 M446	I157-I438 HydrophobicContact CG2-CG1 4.41Å; I157-I438 PolarHBondContact O-N 3.28Å; I159-I438 HydrophobicContact CB-CD1 4.27Å; I159-I438 HydrophobicContact CD1-CD1 3.34Å; I159-I438 HydrophobicContact CD1-CG1 3.73Å; I159-I438 HydrophobicContact CG1-CD1 3.79Å; I159-I438 HydrophobicContact CG1-CG1 3.84Å; L188-I438 HydrophobicContact CD1-CD1 4.31Å; L188-I438 HydrophobicContact CD2-CD1 4.28Å; I436-I438 HydrophobicContact CG2-CD1 4.35Å; I436-I438 PolarHBondContact O-N 3.35Å; I438-D440 PolarHBondContact O-N 3.27Å; I438-L442 HydrophobicContact CG2-CB 3.87Å; I438-I443 HydrophobicContact CG2-CG1 4.33Å; I438-M446 HydrophobicContact CG2-CG 4.2Å
439	P	93.4	Very high	85.9	Confident	14 Å²	14	60.4 Å²	60.4	9%	0.091	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-53.3	137.4	173.6	-25.7	32.8	0	0	0	111.3	L425 I437 V441 L442	L425-P439 HydrophobicContact CD2-CG 3.62Å; I437-P439 WeakPolarHBondContact O-CD 3.49Å; P439-V441 HydrophobicContact CB-CG2 4.15Å; P439-V441 PolarHBondContact O-N 3.28Å; P439-L442 HydrophobicContact CB-CG 4.49Å; P439-L442 HydrophobicContact CG-CD1 4.33Å; P439-L442 PolarHBondContact O-N 3.49Å
440	D	91.3	Very high	83.6	Confident	120 Å²	120	65.5 Å²	65.5	64%	0.642	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-54.4	-34	-176.1	-68.6	-23.6	0	0	0	112.8	I438 L442 I443 P444	I438-D440 PolarHBondContact O-N 3.27Å; D440-L442 PolarHBondContact O-N 2.87Å; D440-I443 WeakPolarHBondContact O-CB 3.31Å; D440-I443 PolarHBondContact O-N 3.21Å; D440-P444 WeakPolarHBondContact O-CD 3.42Å
441	V	93.3	Very high	81.2	Confident	40 Å²	40	73.7 Å²	73.7	24%	0.242	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-64.8	-20.6	178.1	-59.9	0	0	0	0	113.7	Y195 D342 L343 P439 Y445	Y195-V441 HydrophobicContact CD2-CB 4.24Å; Y195-V441 HydrophobicContact CD2-CG2 4.4Å; Y195-V441 HydrophobicContact CE2-CB 3.84Å; Y195-V441 HydrophobicContact CE2-CG2 3.96Å; D342-V441 HydrophobicContact CB-CG1 4.1Å; D342-V441 HydrophobicContact CB-CG2 4.35Å; D342-V441 WeakPolarHBondContact O-CG2 3.36Å; L343-V441 HydrophobicContact CD2-CG2 3.97Å; P439-V441 HydrophobicContact CB-CG2 4.15Å; P439-V441 PolarHBondContact O-N 3.28Å; V441-Y445 WeakPolarHBondContact O-CD2 3.36Å; V441-Y445 WeakPolarHBondContact O-CE2 3.4Å
442	L	94.3	Very high	79.1	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-92.8	-21.1	177.8	-61.7	-176.2	0	0	0	113	L188 L192 Y195 L343 L425 I438 P439 D440 P444 Y445 M446	L188-L442 HydrophobicContact CD1-CD1 3.61Å; L192-L442 HydrophobicContact CD2-CD1 3.87Å; L192-L442 HydrophobicContact CD2-CD2 3.97Å; L192-L442 HydrophobicContact CG-CD1 4.24Å; L192-L442 HydrophobicContact CG-CD2 4.48Å; Y195-L442 HydrophobicContact CD1-CD2 4.04Å; Y195-L442 HydrophobicContact CD2-CD2 4.49Å; Y195-L442 HydrophobicContact CG-CD2 3.82Å; L343-L442 HydrophobicContact CD2-CD1 3.8Å; L343-L442 HydrophobicContact CD2-CD2 3.9Å; L343-L442 HydrophobicContact CD2-CG 3.84Å; L425-L442 HydrophobicContact CD1-CD1 4.06Å; I438-L442 HydrophobicContact CG2-CB 3.87Å; P439-L442 HydrophobicContact CB-CG 4.49Å; P439-L442 HydrophobicContact CG-CD1 4.33Å; P439-L442 PolarHBondContact O-N 3.49Å; D440-L442 PolarHBondContact O-N 2.87Å; L442-P444 VanDerWaalsContact C-CD 3.48Å; L442-Y445 PolarHBondContact O-N 3.25Å; L442-M446 WeakPolarHBondContact O-CG 3.49Å; L442-M446 PolarHBondContact O-N 3.3Å
443	I	89.4	Confident	77	Confident	43 Å²	43	78.7 Å²	78.7	22%	0.221	39%	0.388	C	S	.	.	H	α-helix	trans	-52.7	-45.1	-177.5	-66.3	178.4	0	0	0	113	I157 I438 D440 Y445 M446	I157-I443 HydrophobicContact CB-CD1 4.38Å; I157-I443 HydrophobicContact CD1-CB 4.35Å; I157-I443 HydrophobicContact CD1-CD1 4.11Å; I157-I443 HydrophobicContact CD1-CG1 4.03Å; I157-I443 HydrophobicContact CD1-CG2 3.57Å; I157-I443 HydrophobicContact CG1-CD1 4.12Å; I157-I443 HydrophobicContact CG1-CG1 4.43Å; I438-I443 HydrophobicContact CG2-CG1 4.33Å; D440-I443 WeakPolarHBondContact O-CB 3.31Å; D440-I443 PolarHBondContact O-N 3.21Å; I443-Y445 PolarHBondContact O-N 3.13Å; I443-M446 PolarHBondContact O-N 2.93Å
444	P	89.8	Confident	75.2	Confident	96 Å²	96	77 Å²	77	62%	0.623	39%	0.391	S	S	*	.	H	α-helix	trans	-61	-28	178.8	-24.7	35.5	0	0	0	113.9	D440 L442	D440-P444 WeakPolarHBondContact O-CD 3.42Å; L442-P444 VanDerWaalsContact C-CD 3.48Å
445	Y	90.6	Very high	73.4	Confident	60 Å²	60	81.1 Å²	81.1	24%	0.235	41%	0.409	C	S	.	.	H	α-helix	trans	-93.5	-20.6	-176.2	-51.9	-83.5	0	0	0	113	A194 Y195 D198 V441 L442 I443 K447	A194-Y445 HydrophobicContact CB-CD1 3.57Å; A194-Y445 HydrophobicContact CB-CE1 4.24Å; A194-Y445 HydrophobicContact CB-CG 4.19Å; Y195-Y445 AromaticContact CD2-CE2 3.94Å; Y195-Y445 HydrophobicContact CD2-CE2 3.94Å; Y195-Y445 HydrophobicContact CG-CE2 4.34Å; D198-Y445 HydrophobicContact CB-CE1 4.21Å; D198-Y445 WeakPolarHBondContact CB-OH 3.25Å; D198-Y445 PolarHBondContact OD2-OH 2.79Å; V441-Y445 WeakPolarHBondContact O-CD2 3.36Å; V441-Y445 WeakPolarHBondContact O-CE2 3.4Å; L442-Y445 PolarHBondContact O-N 3.25Å; I443-Y445 PolarHBondContact O-N 3.13Å; Y445-K447 PolarHBondContact O-N 3.26Å
446	M	83.7	Confident	71.4	Confident	4 Å²	4	86.6 Å²	86.6	2%	0.02	44%	0.435	C	S	.	.	H	α-helix	trans	-65.1	-20.2	175.1	-73.9	-65.7	-56	0	0	113	I159 Q187 L188 A191 I438 L442 I443 M448	I159-M446 HydrophobicContact CD1-CE 3.51Å; Q187-M446 HydrophobicContact CB-CE 3.84Å; Q187-M446 HydrophobicContact CB-SD 4.39Å; L188-M446 VanDerWaalsContact CA-SD 3.53Å; L188-M446 HydrophobicContact CB-SD 3.93Å; L188-M446 HydrophobicContact CD1-SD 3.71Å; L188-M446 HydrophobicContact CG-SD 4.45Å; A191-M446 HydrophobicContact CB-CG 4.16Å; A191-M446 HydrophobicContact CB-SD 3.8Å; I438-M446 HydrophobicContact CG2-CG 4.2Å; L442-M446 WeakPolarHBondContact O-CG 3.49Å; L442-M446 PolarHBondContact O-N 3.3Å; I443-M446 PolarHBondContact O-N 2.93Å; M446-M448 HydrophobicContact CB-CG 3.79Å; M446-M448 HydrophobicContact CE-CG 4.03Å; M446-M448 HydrophobicContact CE-SD 4.29Å; M446-M448 PolarHBondContact O-N 3.25Å
447	K	67.5	Low	69.4	Low	141 Å²	141	91.8 Å²	91.8	61%	0.613	46%	0.462	S	S	*	.			trans	48	29	-179.7	-60.4	-176.2	-177.1	-177.1	0	114	Y445 R449 Y452	Y445-K447 PolarHBondContact O-N 3.26Å; K447-R449 PolarHBondContact O-N 2.89Å; K447-Y452 HydrophobicContact CD-CE2 4.4Å
448	M	60.1	Low	67.3	Low	34 Å²	34	97.2 Å²	97.2	17%	0.167	48%	0.483	C	S	.	.			trans	-74	-9.2	-177.4	-69.4	-92.9	-79.2	0	0	113	I148 I157 I159 Q187 M446 N450	I148-M448 HydrophobicContact CD1-CE 4.3Å; I148-M448 HydrophobicContact CG2-CE 3.7Å; I157-M448 HydrophobicContact CG2-CE 4.36Å; I159-M448 HydrophobicContact CG1-CE 4.45Å; Q187-M448 PolarHBondContact OE1-SD 3.32Å; Q187-M448 VanDerWaalsContact OE1-SD 3.38Å; M446-M448 HydrophobicContact CB-CG 3.79Å; M446-M448 HydrophobicContact CE-CG 4.03Å; M446-M448 HydrophobicContact CE-SD 4.29Å; M446-M448 PolarHBondContact O-N 3.25Å; M448-N450 PolarHBondContact O-N 3.43Å
449	R	50.6	Low	65.4	Low	225 Å²	225	107.7 Å²	107.7	85%	0.849	52%	0.523	S	S	*	.	S	Bend	trans	-86.6	105.2	172.5	-91.1	-178	170.3	153.7	-1.1	109.3	K447	K447-R449 PolarHBondContact O-N 2.89Å
450	N	45.7	Very low	63.6	Low	139 Å²	139	111.7 Å²	111.7	74%	0.743	55%	0.547	S	S	*	.			trans	62.9	107.2	172.5	-56.8	-30.1	0	0	0	112.8	M448 Y452	M448-N450 PolarHBondContact O-N 3.43Å; N450-Y452 PolarHBondContact O-N 2.78Å
451	L	42.6	Very low	61.8	Low	173 Å²	173	111.2 Å²	111.2	91%	0.906	54%	0.543	S	S	*	.			trans	-29.4	110.6	144.3	-67.8	156.4	0	0	0	106.9	P453	L451-P453 VanDerWaalsContact O-N 3.13Å
452	Y	44.7	Very low	60	Low	165 Å²	165	113.9 Å²	113.9	65%	0.647	56%	0.564	S	S	*	*			trans	-40	130	166.1	-73.8	-91.7	0	0	0	105.8	K447 N450 A454	K447-Y452 HydrophobicContact CD-CE2 4.4Å; N450-Y452 PolarHBondContact O-N 2.78Å; Y452-A454 VanDerWaalsContact O-CA 3.22Å; Y452-A454 WeakPolarHBondContact O-CA 3.41Å; Y452-A454 PolarHBondContact O-N 2.86Å
453	P	45.7	Very low	58	Low	108 Å²	108	121 Å²	121	70%	0.701	60%	0.597	S	S	*	*	S	Bend	trans	-46	112.5	-179.6	18	-30.5	0	0	0	105.8	L451 F455	L451-P453 VanDerWaalsContact O-N 3.13Å; P453-F455 PolarHBondContact O-N 3.46Å
454	A	47.7	Very low	56.3	Low	87 Å²	87	128.9 Å²	128.9	72%	0.719	63%	0.63	S	S	*	*			trans	-36.4	111.9	-156	0	0	0	0	0	107.8	Y452 Q456	Y452-A454 VanDerWaalsContact O-CA 3.22Å; Y452-A454 WeakPolarHBondContact O-CA 3.41Å; Y452-A454 PolarHBondContact O-N 2.86Å; A454-Q456 WeakPolarHBondContact O-CA 3.4Å; A454-Q456 PolarHBondContact O-N 3.21Å
455	F	48.5	Very low	54.3	Low	169 Å²	169	135.1 Å²	135.1	74%	0.741	66%	0.657	S	S	*	*			trans	-27.4	104.7	-170.5	-177.4	-89	0	0	0	107.5	P453 L457	P453-F455 PolarHBondContact O-N 3.46Å; F455-L457 PolarHBondContact O-N 3.39Å
456	Q	48.1	Very low	52.4	Low	140 Å²	140	138.9 Å²	138.9	65%	0.654	68%	0.678	S	S	*	*			trans	-62.2	87.3	-159.8	-84	-172.3	-7.5	0	0	108.8	A454 K458 R459	A454-Q456 WeakPolarHBondContact O-CA 3.4Å; A454-Q456 PolarHBondContact O-N 3.21Å; Q456-K458 PolarHBondContact O-N 2.87Å; Q456-R459 PolarHBondContact O-N 3.4Å
457	L	46.6	Very low	50.8	Low	110 Å²	110	145.9 Å²	145.9	58%	0.576	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-20	-177.9	-121.5	98.6	0	0	0	109.8	F455 R459 V460 L461	F455-L457 PolarHBondContact O-N 3.39Å; L457-R459 PolarHBondContact O-N 2.95Å; L457-R459 VanDerWaalsContact O-N 3.11Å; L457-V460 PolarHBondContact O-N 3.03Å; L457-L461 HydrophobicContact CB-CD1 4.32Å; L457-L461 HydrophobicContact CD2-CD1 4.05Å; L457-L461 HydrophobicContact CD2-CG 4.45Å; L457-L461 PolarHBondContact O-N 3.26Å; L457-L461 VanDerWaalsContact O-N 3.08Å
458	K	48.9	Very low	49.9	Very low	172 Å²	172	146.2 Å²	146.2	75%	0.748	72%	0.718	S	S	*	*	H	α-helix	trans	-45.3	-36.5	170.1	-78.6	-169.4	172.7	-175.5	0	113.6	Q456 V460 S462	Q456-K458 PolarHBondContact O-N 2.87Å; K458-V460 VanDerWaalsContact C-N 3.31Å; K458-V460 PolarHBondContact O-N 2.84Å; K458-S462 PolarHBondContact O-N 3.29Å
459	R	50.4	Low	49.3	Very low	222 Å²	222	152.8 Å²	152.8	84%	0.838	75%	0.75	S	S	*	*	H	α-helix	trans	-71.4	-24.2	-177.8	-119.8	-176.9	-174.7	-179.6	1.6	114	Q456 L457 S462	Q456-R459 PolarHBondContact O-N 3.4Å; L457-R459 PolarHBondContact O-N 2.95Å; L457-R459 VanDerWaalsContact O-N 3.11Å; R459-S462 PolarHBondContact O-OG 3.48Å
460	V	55.3	Low	49.2	Very low	98 Å²	98	148.3 Å²	148.3	59%	0.594	74%	0.744	S	S	*	*	H	α-helix	trans	-94.7	-37.5	178.3	-176.5	0	0	0	0	110.7	L457 K458 S462 Q463	L457-V460 PolarHBondContact O-N 3.03Å; K458-V460 VanDerWaalsContact C-N 3.31Å; K458-V460 PolarHBondContact O-N 2.84Å; V460-S462 PolarHBondContact O-N 3.35Å; V460-Q463 PolarHBondContact O-N 2.94Å; V460-Q463 VanDerWaalsContact O-N 3.14Å
461	L	53.6	Low	49.4	Very low	109 Å²	109	148.9 Å²	148.9	57%	0.571	74%	0.744	S	S	*	*	H	α-helix	trans	-71	-10	-179.3	-68.1	172.3	0	0	0	114.6	L457 Q463 L465	L457-L461 HydrophobicContact CB-CD1 4.32Å; L457-L461 HydrophobicContact CD2-CD1 4.05Å; L457-L461 HydrophobicContact CD2-CG 4.45Å; L457-L461 PolarHBondContact O-N 3.26Å; L457-L461 VanDerWaalsContact O-N 3.08Å; L461-Q463 PolarHBondContact O-N 2.8Å; L461-L465 HydrophobicContact CD2-CD1 4.45Å
462	S	55.7	Low	49.9	Very low	96 Å²	96	147.2 Å²	147.2	67%	0.671	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-12.8	171	52.7	0	0	0	0	113.4	K458 R459 V460	K458-S462 PolarHBondContact O-N 3.29Å; R459-S462 PolarHBondContact O-OG 3.48Å; V460-S462 PolarHBondContact O-N 3.35Å
463	Q	52	Low	50.3	Low	150 Å²	150	145.8 Å²	145.8	70%	0.701	74%	0.739	S	S	*	*	S	Bend	trans	-94.1	123.4	166.3	-70.1	-179.9	-13.5	0	0	107.5	V460 L461 L465	V460-Q463 PolarHBondContact O-N 2.94Å; V460-Q463 VanDerWaalsContact O-N 3.14Å; L461-Q463 PolarHBondContact O-N 2.8Å; Q463-L465 PolarHBondContact O-N 2.99Å; Q463-L465 VanDerWaalsContact O-N 3.16Å
464	K	53.8	Low	50.7	Low	209 Å²	209	149 Å²	149	91%	0.909	74%	0.742	S	S	*	*			trans	-53.1	123.4	171.9	-78.9	-178	173.7	-179.9	0	107.9
465	L	47.7	Very low	51	Low	226 Å²	226	154.6 Å²	154.6	100%	1.183	74%	0.744	S	S	*	*			trans	-55.5	0	171.4	-95.2	150.4	0	0	0	111.7	L461 Q463	L461-L465 HydrophobicContact CD2-CD1 4.45Å; Q463-L465 PolarHBondContact O-N 2.99Å; Q463-L465 VanDerWaalsContact O-N 3.16Å

Retrieved 465 of 465 residues in 192.3 ms (Link to these results)

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