A0A077YZ34_TRITR Loading...

ATP-binding cassette sub-family F member 1

AlphaFold DB , UniProt , Accession A0A077YZ34, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 725 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	26.9	Very low	46	Very low	240 Å²	240	119.5 Å²	119.5	100%	1.182	62%	0.621	S	S	*	*				0	146.1	0	-76.4	-146.4	-96.1	0	0	107.9
2	E	30.4	Very low	46.9	Very low	194 Å²	194	113.8 Å²	113.8	91%	0.907	59%	0.59	S	S	*	*			trans	81.2	124.2	-164.4	-59.9	-172.3	156.7	0	0	113.9	G4	E2-G4 PolarHBondContact O-N 2.91Å
3	G	32.5	Very low	47.9	Very low	76 Å²	76	116.1 Å²	116.1	78%	0.784	59%	0.586	S	S	*	*			trans	-47.4	122.8	-158	0	0	0	0	0	113.5	K5	G3-K5 VanDerWaalsContact C-N 3.27Å; G3-K5 PolarHBondContact O-N 3.13Å
4	G	35.7	Very low	48.5	Very low	76 Å²	76	118.2 Å²	118.2	78%	0.784	59%	0.59	S	S	*	*			trans	-60.1	91.7	174.1	0	0	0	0	0	109.5	E2 R6	E2-G4 PolarHBondContact O-N 2.91Å; G4-R6 PolarHBondContact O-N 2.89Å
5	K	39.2	Very low	48.9	Very low	196 Å²	196	116.4 Å²	116.4	85%	0.852	58%	0.582	S	S	*	*			trans	-54.9	112.6	166.3	-105	-178.1	173	-179.8	0	106.2	G3 L7	G3-K5 VanDerWaalsContact C-N 3.27Å; G3-K5 PolarHBondContact O-N 3.13Å; K5-L7 PolarHBondContact O-N 3.45Å; K5-L7 VanDerWaalsContact O-N 3.1Å
6	R	49.1	Very low	49.2	Very low	164 Å²	164	115.3 Å²	115.3	62%	0.619	57%	0.572	S	S	*	*			trans	-58.1	114.7	174.1	-72.5	-179	175.2	178.3	-1.7	107.4	G4 N8	G4-R6 PolarHBondContact O-N 2.89Å; R6-N8 PolarHBondContact O-N 3.3Å
7	L	50.9	Low	49.3	Very low	88 Å²	88	118 Å²	118	46%	0.461	58%	0.583	S	S	.	*			trans	-74.3	122.2	179.2	-75.3	154.2	0	0	0	108.6	K5 E11 Q12	K5-L7 PolarHBondContact O-N 3.45Å; K5-L7 VanDerWaalsContact O-N 3.1Å; L7-E11 WeakPolarHBondContact CA-OE2 3.36Å; L7-E11 HydrophobicContact CB-CB 4.46Å; L7-E11 HydrophobicContact CD2-CB 3.75Å; L7-Q12 HydrophobicContact CB-CG 3.94Å; L7-Q12 PolarHBondContact O-NE2 2.91Å
8	N	59.6	Low	49.3	Very low	16 Å²	16	122 Å²	122	9%	0.086	60%	0.597	C	S	.	*			trans	-73.3	159.9	174.8	-173.6	41.4	0	0	0	111.7	R6 K10 E11 Q12 E588 D590	R6-N8 PolarHBondContact O-N 3.3Å; N8-K10 PolarHBondContact O-N 3.41Å; N8-K10 VanDerWaalsContact O-N 3.09Å; N8-E11 PolarHBondContact N-OE2 2.89Å; N8-E11 WeakPolarHBondContact O-CA 3.3Å; N8-E11 WeakPolarHBondContact O-CB 3.41Å; N8-E11 PolarHBondContact O-N 3.16Å; N8-Q12 PolarHBondContact O-N 3.44Å; N8-E588 PolarHBondContact OD1-O 3.26Å; N8-D590 WeakPolarHBondContact ND2-CB 3.26Å; N8-D590 PolarHBondContact ND2-N 3.39Å; N8-D590 PolarHBondContact ND2-OD1 3.26Å; N8-D590 PolarHBondContact ND2-OD2 2.91Å
9	R	62.2	Low	49.3	Very low	31 Å²	31	121.5 Å²	121.5	12%	0.117	60%	0.596	C	S	.	*	H	α-helix	trans	-48.7	-40.9	-177.6	-168.6	-176.2	-174.3	-155.5	4.6	113.6	E11 Q12 R13 E582 A587 E599	R9-E11 VanDerWaalsContact C-N 3.34Å; R9-E11 PolarHBondContact O-N 3.22Å; R9-Q12 PolarHBondContact O-N 3.02Å; R9-R13 PolarHBondContact O-N 3.3Å; R9-E582 IonicContact CZ-OE2 2.71Å; R9-E582 IonicContact NE-OE2 3.83Å; R9-E582 IonicContact NH2-OE1 3.87Å; R9-E582 PolarHBondContact NH2-OE1 3.49Å; R9-E582 IonicContact NH2-OE2 2.86Å; R9-E582 PolarHBondContact NH2-OE2 3.2Å; R9-A587 HydrophobicContact CB-CB 4.27Å; R9-E599 IonicContact CZ-OE1 2.86Å; R9-E599 IonicContact CZ-OE2 3.63Å; R9-E599 VanDerWaalsContact NH1-CD 3.33Å; R9-E599 IonicContact NH1-OE1 2.89Å; R9-E599 PolarHBondContact NH1-OE1 3.05Å; R9-E599 IonicContact NH1-OE2 3.48Å; R9-E599 PolarHBondContact NH1-OE2 3.11Å
10	K	56.9	Low	48.6	Very low	131 Å²	131	118.8 Å²	118.8	57%	0.57	60%	0.601	S	S	*	*	H	α-helix	trans	-63.5	-37.5	177.4	-78.3	175.1	-179.2	153.4	0	112.7	N8 K14	N8-K10 PolarHBondContact O-N 3.41Å; N8-K10 VanDerWaalsContact O-N 3.09Å; K10-K14 WeakPolarHBondContact O-CG 3.2Å; K10-K14 PolarHBondContact O-N 2.98Å
11	E	62.6	Low	47.9	Very low	102 Å²	102	118.7 Å²	118.7	48%	0.477	60%	0.601	S	S	.	*	H	α-helix	trans	-72.8	-38.3	177	-59.7	-177.6	137.5	0	0	110.8	L7 N8 R9 K14 L15	L7-E11 WeakPolarHBondContact CA-OE2 3.36Å; L7-E11 HydrophobicContact CB-CB 4.46Å; L7-E11 HydrophobicContact CD2-CB 3.75Å; N8-E11 PolarHBondContact N-OE2 2.89Å; N8-E11 WeakPolarHBondContact O-CA 3.3Å; N8-E11 WeakPolarHBondContact O-CB 3.41Å; N8-E11 PolarHBondContact O-N 3.16Å; R9-E11 VanDerWaalsContact C-N 3.34Å; R9-E11 PolarHBondContact O-N 3.22Å; E11-K14 PolarHBondContact O-N 3.4Å; E11-L15 WeakPolarHBondContact O-CB 3.33Å; E11-L15 PolarHBondContact O-N 3.23Å
12	Q	57.3	Low	48.2	Very low	52 Å²	52	111.3 Å²	111.3	24%	0.243	58%	0.579	C	S	.	*	H	α-helix	trans	-61.9	-43.7	174.6	-62.9	-178.5	16.8	0	0	112	L7 N8 R9 L15 K16 N585	L7-Q12 HydrophobicContact CB-CG 3.94Å; L7-Q12 PolarHBondContact O-NE2 2.91Å; N8-Q12 PolarHBondContact O-N 3.44Å; R9-Q12 PolarHBondContact O-N 3.02Å; Q12-L15 PolarHBondContact O-N 3.45Å; Q12-K16 PolarHBondContact O-N 2.9Å; Q12-N585 PolarHBondContact OE1-ND2 3.12Å
13	R	58.9	Low	48.2	Very low	143 Å²	143	105.8 Å²	105.8	54%	0.54	57%	0.573	S	S	.	*	H	α-helix	trans	-63.4	-41.3	174.7	-74.6	-175.9	85	178.1	3.3	112.2	R9 L15 K16 Q17 E599	R9-R13 PolarHBondContact O-N 3.3Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 3.04Å; R13-K16 PolarHBondContact O-N 3.49Å; R13-Q17 PolarHBondContact O-N 2.75Å; R13-E599 IonicContact CZ-OE1 3.34Å; R13-E599 IonicContact NH1-OE1 2.8Å; R13-E599 PolarHBondContact NH1-OE1 3.02Å
14	K	57.1	Low	48	Very low	146 Å²	146	107.1 Å²	107.1	64%	0.635	57%	0.566	S	S	*	*	H	α-helix	trans	-63.6	-38.2	175.3	-77.7	-179.9	179.2	178	0	112.2	K10 E11 K18	K10-K14 WeakPolarHBondContact O-CG 3.2Å; K10-K14 PolarHBondContact O-N 2.98Å; E11-K14 PolarHBondContact O-N 3.4Å; K14-K18 PolarHBondContact O-N 2.95Å; K14-K18 VanDerWaalsContact O-N 3.1Å
15	L	54.9	Low	47.6	Very low	91 Å²	91	108.2 Å²	108.2	48%	0.476	56%	0.557	S	S	.	*	H	α-helix	trans	-66.5	-44.7	175.6	-161.1	83.9	0	0	0	111	E11 Q12 R13 K18 L19	E11-L15 WeakPolarHBondContact O-CB 3.33Å; E11-L15 PolarHBondContact O-N 3.23Å; Q12-L15 PolarHBondContact O-N 3.45Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 3.04Å; L15-K18 PolarHBondContact O-N 3.43Å; L15-L19 HydrophobicContact CD2-CD1 4.25Å; L15-L19 HydrophobicContact CG-CD1 3.98Å; L15-L19 PolarHBondContact O-N 3.38Å
16	K	53.8	Low	47.2	Very low	98 Å²	98	103.4 Å²	103.4	43%	0.426	54%	0.541	S	S	.	.	H	α-helix	trans	-60.9	-44.3	174.8	-82.1	-172.7	176	-178.7	0	112	Q12 R13 K18 L19 G20 D583	Q12-K16 PolarHBondContact O-N 2.9Å; R13-K16 PolarHBondContact O-N 3.49Å; K16-K18 VanDerWaalsContact C-N 3.3Å; K16-K18 PolarHBondContact O-N 2.89Å; K16-L19 PolarHBondContact O-N 2.74Å; K16-L19 VanDerWaalsContact O-N 3.15Å; K16-G20 PolarHBondContact O-N 3.46Å; K16-G20 VanDerWaalsContact O-N 3.14Å; K16-D583 IonicContact NZ-OD2 2.81Å; K16-D583 PolarHBondContact NZ-OD2 3.44Å
17	Q	49.9	Very low	46.2	Very low	162 Å²	162	100.4 Å²	100.4	76%	0.757	54%	0.537	S	S	*	.	H	α-helix	trans	-60.5	-37.5	175.3	-86.5	-176.3	-8.8	0	0	112.5	R13	R13-Q17 PolarHBondContact O-N 2.75Å
18	K	49	Very low	45.4	Very low	190 Å²	190	98.5 Å²	98.5	83%	0.826	53%	0.529	S	S	*	.	H	α-helix	trans	-69.9	-32.6	175	-80.3	-173.7	175.2	-175	0	113.5	K14 L15 K16	K14-K18 PolarHBondContact O-N 2.95Å; K14-K18 VanDerWaalsContact O-N 3.1Å; L15-K18 PolarHBondContact O-N 3.43Å; K16-K18 VanDerWaalsContact C-N 3.3Å; K16-K18 PolarHBondContact O-N 2.89Å
19	L	50.5	Low	44	Very low	113 Å²	113	99.8 Å²	99.8	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-90.7	0.2	-176.1	-74.6	161.9	0	0	0	114	L15 K16 L21	L15-L19 HydrophobicContact CD2-CD1 4.25Å; L15-L19 HydrophobicContact CG-CD1 3.98Å; L15-L19 PolarHBondContact O-N 3.38Å; K16-L19 PolarHBondContact O-N 2.74Å; K16-L19 VanDerWaalsContact O-N 3.15Å; L19-L21 HydrophobicContact CB-CD1 3.97Å; L19-L21 PolarHBondContact O-N 3.28Å; L19-L21 VanDerWaalsContact O-N 3.08Å
20	G	33.9	Very low	42.6	Very low	66 Å²	66	101.8 Å²	101.8	68%	0.68	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	64	15.1	174.2	0	0	0	0	0	114.9	K16 A22	K16-G20 PolarHBondContact O-N 3.46Å; K16-G20 VanDerWaalsContact O-N 3.14Å; G20-A22 PolarHBondContact O-N 3.44Å
21	L	35.7	Very low	41.5	Very low	117 Å²	117	99.1 Å²	99.1	61%	0.613	54%	0.544	S	S	*	.			trans	-76.3	92	177.8	-82.9	144.3	0	0	0	109.3	L19	L19-L21 HydrophobicContact CB-CD1 3.97Å; L19-L21 PolarHBondContact O-N 3.28Å; L19-L21 VanDerWaalsContact O-N 3.08Å
22	A	31.6	Very low	40	Very low	86 Å²	86	100.9 Å²	100.9	71%	0.711	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-65	141.4	165.7	0	0	0	0	0	109.8	G20 V24	G20-A22 PolarHBondContact O-N 3.44Å; A22-V24 PolarHBondContact O-N 3.38Å
23	G	31.2	Very low	38.7	Very low	77 Å²	77	105.7 Å²	105.7	79%	0.794	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-50.5	123.8	-169.5	0	0	0	0	0	113.6
24	V	28.6	Very low	37.3	Very low	104 Å²	104	103.2 Å²	103.2	63%	0.63	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-80	128.1	169.5	178.4	0	0	0	0	107.3	A22 N26	A22-V24 PolarHBondContact O-N 3.38Å; V24-N26 PolarHBondContact O-N 3.27Å
25	V	27.4	Very low	36	Very low	99 Å²	99	102.4 Å²	102.4	60%	0.6	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.4	120.4	-176.6	178	0	0	0	0	109.7	D27	V25-D27 PolarHBondContact O-N 2.89Å
26	N	30.2	Very low	34.8	Very low	95 Å²	95	103 Å²	103	51%	0.508	59%	0.593	S	S	.	*			trans	-76.8	101.3	173.5	-72.5	-39.3	0	0	0	108.8	V24 T28 D583	V24-N26 PolarHBondContact O-N 3.27Å; N26-T28 PolarHBondContact O-N 3.25Å; N26-D583 PolarHBondContact ND2-OD1 2.92Å
27	D	28.4	Very low	33.5	Very low	102 Å²	102	102.2 Å²	102.2	55%	0.545	61%	0.606	S	S	.	*			trans	-62.1	98.9	166	-79.8	-30.6	0	0	0	109.1	V25 Q407	V25-D27 PolarHBondContact O-N 2.89Å; D27-Q407 PolarHBondContact OD2-NE2 3.3Å
28	T	33.2	Very low	32.3	Very low	48 Å²	48	98.2 Å²	98.2	29%	0.294	60%	0.6	S	S	.	*			trans	-58.2	136.4	174.4	41.2	0	0	0	0	111.8	N26 R216	N26-T28 PolarHBondContact O-N 3.25Å; T28-R216 PolarHBondContact OG1-NH2 3.32Å
29	P	31	Very low	31.2	Very low	43 Å²	43	98.5 Å²	98.5	28%	0.279	60%	0.604	S	S	.	*			trans	-66.5	136.7	-167.3	24.2	-32.9	0	0	0	113.9	N31	P29-N31 PolarHBondContact O-N 3.19Å
30	N	31.8	Very low	29.9	Very low	72 Å²	72	98.7 Å²	98.7	39%	0.385	61%	0.611	S	S	.	*			trans	-72.4	113.1	160.4	-82.2	-6	0	0	0	109.3	E32 R216 R406	N30-E32 PolarHBondContact O-N 3.29Å; N30-R216 PolarHBondContact OD1-NH1 3.28Å; N30-R406 PolarHBondContact O-NH1 3.47Å; N30-R406 PolarHBondContact O-NH2 3.09Å
31	N	34.9	Very low	29.4	Very low	76 Å²	76	98.8 Å²	98.8	41%	0.406	61%	0.612	S	S	.	*			trans	-81.1	85.5	172.2	-84	4.4	0	0	0	109.5	P29 E34	P29-N31 PolarHBondContact O-N 3.19Å; N31-E34 PolarHBondContact ND2-OE2 2.9Å
32	E	30.3	Very low	29	Very low	138 Å²	138	100.3 Å²	100.3	65%	0.645	62%	0.619	S	S	*	*			trans	-92.5	-22	170.1	-75.7	-180	172.6	0	0	112.3	N30 E34 L35	N30-E32 PolarHBondContact O-N 3.29Å; E32-E34 PolarHBondContact O-N 3.41Å; E32-L35 PolarHBondContact O-N 3.48Å
33	D	30.9	Very low	28.6	Very low	153 Å²	153	99.3 Å²	99.3	82%	0.818	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-6.4	177.4	-71.1	-27.8	0	0	0	113.6
34	E	30	Very low	28.2	Very low	92 Å²	92	100.1 Å²	100.1	43%	0.43	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.5	-9.4	171.3	-80.4	178.1	171.2	0	0	113.3	N31 E32 A36	N31-E34 PolarHBondContact ND2-OE2 2.9Å; E32-E34 PolarHBondContact O-N 3.41Å; E34-A36 VanDerWaalsContact C-N 3.26Å; E34-A36 PolarHBondContact O-N 3.06Å
35	L	28.3	Very low	28.1	Very low	129 Å²	129	98.5 Å²	98.5	68%	0.675	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-73.4	-19.1	-177.6	-125	105.1	0	0	0	113	E32 A37	E32-L35 PolarHBondContact O-N 3.48Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.15Å
36	A	29.1	Very low	28.3	Very low	102 Å²	102	98.3 Å²	98.3	84%	0.843	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-79.9	-5.9	-176	0	0	0	0	0	114.8	E34	E34-A36 VanDerWaalsContact C-N 3.26Å; E34-A36 PolarHBondContact O-N 3.06Å
37	A	27.1	Very low	28.7	Very low	83 Å²	83	98.5 Å²	98.5	69%	0.686	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-110.7	0.5	-178.4	0	0	0	0	0	114.6	L35 E39	L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 3.15Å; A37-E39 PolarHBondContact O-N 2.63Å
38	A	26.1	Very low	29.5	Very low	78 Å²	78	97.5 Å²	97.5	65%	0.645	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	4.1	-170	0	0	0	0	0	116	T40	A38-T40 VanDerWaalsContact C-N 3.33Å; A38-T40 PolarHBondContact O-N 3.29Å
39	E	25.2	Very low	30.1	Very low	195 Å²	195	96.9 Å²	96.9	91%	0.911	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	6.6	-176.5	-74.6	-164.9	161.6	0	0	115.7	A37	A37-E39 PolarHBondContact O-N 2.63Å
40	T	24	Very low	30.9	Very low	118 Å²	118	101.7 Å²	101.7	72%	0.724	64%	0.644	S	S	*	*	S	Bend	trans	-116	79.4	171.2	57.3	0	0	0	0	110.6	A38 I42	A38-T40 VanDerWaalsContact C-N 3.33Å; A38-T40 PolarHBondContact O-N 3.29Å; T40-I42 PolarHBondContact O-N 3.23Å
41	G	23.1	Very low	32.2	Very low	68 Å²	68	102.3 Å²	102.3	70%	0.701	65%	0.645	S	S	*	*			trans	-55.2	102.7	175.1	0	0	0	0	0	111.5	G43	G41-G43 PolarHBondContact O-N 3.36Å; G41-G43 VanDerWaalsContact O-N 3.17Å
42	I	25.8	Very low	33.6	Very low	149 Å²	149	100.2 Å²	100.2	76%	0.764	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	107.1	170.2	-59.9	173.8	0	0	0	106.6	T40	T40-I42 PolarHBondContact O-N 3.23Å
43	G	24	Very low	35.4	Very low	64 Å²	64	98 Å²	98	66%	0.66	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.9	43.6	165	0	0	0	0	0	116.2	G41 G45	G41-G43 PolarHBondContact O-N 3.36Å; G41-G43 VanDerWaalsContact O-N 3.17Å; G43-G45 PolarHBondContact O-N 3.47Å
44	A	23.8	Very low	37.4	Very low	95 Å²	95	93 Å²	93	79%	0.785	60%	0.603	S	S	*	*			trans	-54.2	106.2	158.1	0	0	0	0	0	109.8	V46	A44-V46 PolarHBondContact O-N 2.99Å
45	G	26.5	Very low	39.4	Very low	70 Å²	70	91.9 Å²	91.9	72%	0.722	61%	0.605	S	S	*	*			trans	46.1	43.2	151.6	0	0	0	0	0	117.8	G43 T47	G43-G45 PolarHBondContact O-N 3.47Å; G45-T47 VanDerWaalsContact C-N 3.31Å; G45-T47 PolarHBondContact O-N 2.95Å
46	V	30.4	Very low	41.6	Very low	94 Å²	94	88.5 Å²	88.5	57%	0.57	59%	0.586	S	S	*	*			trans	-65.7	107.7	155.7	-179.6	0	0	0	0	104.5	A44 L48	A44-V46 PolarHBondContact O-N 2.99Å; V46-L48 PolarHBondContact O-N 3.01Å
47	T	38.1	Very low	43.3	Very low	99 Å²	99	88 Å²	88	61%	0.607	57%	0.567	S	S	*	*			trans	-47.6	88.1	167.6	41.6	0	0	0	0	107.9	G45 G49 D50	G45-T47 VanDerWaalsContact C-N 3.31Å; G45-T47 PolarHBondContact O-N 2.95Å; T47-G49 PolarHBondContact O-N 2.93Å; T47-D50 PolarHBondContact O-N 3.13Å
48	L	45.4	Very low	45	Very low	82 Å²	82	91 Å²	91	43%	0.429	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-57.9	-19.1	-171.5	-130.6	93.8	0	0	0	110.6	V46 D50 Q51 F52 K116	V46-L48 PolarHBondContact O-N 3.01Å; L48-D50 PolarHBondContact O-N 2.87Å; L48-D50 VanDerWaalsContact O-N 3.1Å; L48-Q51 PolarHBondContact O-N 3.33Å; L48-F52 HydrophobicContact CD2-CD2 4.15Å; L48-F52 HydrophobicContact CD2-CE2 3.43Å; L48-F52 VanDerWaalsContact CD2-CE2 3.43Å; L48-F52 HydrophobicContact CD2-CZ 4Å; L48-F52 HydrophobicContact CG-CD2 4.39Å; L48-F52 HydrophobicContact CG-CE2 3.8Å; L48-F52 VanDerWaalsContact O-CD2 3.25Å; L48-F52 WeakPolarHBondContact O-CD2 3.27Å; L48-K116 HydrophobicContact CD2-CD 4.45Å
49	G	45.5	Very low	46.7	Very low	34 Å²	34	90.3 Å²	90.3	35%	0.351	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-46.8	-34.9	176.1	0	0	0	0	0	115.2	T47 K122	T47-G49 PolarHBondContact O-N 2.93Å; G49-K122 PolarHBondContact O-NZ 3.39Å
50	D	49.2	Very low	48.6	Very low	145 Å²	145	85 Å²	85	78%	0.775	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-82.5	-15.7	-171.2	-67.9	-15.3	0	0	0	114.1	T47 L48	T47-D50 PolarHBondContact O-N 3.13Å; L48-D50 PolarHBondContact O-N 2.87Å; L48-D50 VanDerWaalsContact O-N 3.1Å
51	Q	58.3	Low	50.2	Low	84 Å²	84	83 Å²	83	39%	0.393	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-97.6	-9.7	-177.3	-63.6	-174	2.6	0	0	114.2	L48 Q83	L48-Q51 PolarHBondContact O-N 3.33Å; Q51-Q83 HydrophobicContact CB-CG 4.27Å; Q51-Q83 PolarHBondContact O-N 3.45Å; Q51-Q83 VanDerWaalsContact O-N 3.07Å
52	F	64.7	Low	51.8	Low	32 Å²	32	82.5 Å²	82.5	14%	0.14	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.3	-175.6	-64.4	-98.2	0	0	0	110.5	L48 S81 A82 L87 T113 H117	L48-F52 HydrophobicContact CD2-CD2 4.15Å; L48-F52 HydrophobicContact CD2-CE2 3.43Å; L48-F52 VanDerWaalsContact CD2-CE2 3.43Å; L48-F52 HydrophobicContact CD2-CZ 4Å; L48-F52 HydrophobicContact CG-CD2 4.39Å; L48-F52 HydrophobicContact CG-CE2 3.8Å; L48-F52 VanDerWaalsContact O-CD2 3.25Å; L48-F52 WeakPolarHBondContact O-CD2 3.27Å; F52-S81 WeakPolarHBondContact CA-O 3.35Å; F52-A82 HydrophobicContact CD1-CB 3.37Å; F52-A82 HydrophobicContact CE1-CB 3.17Å; F52-A82 HydrophobicContact CG-CB 4.35Å; F52-A82 HydrophobicContact CZ-CB 4.01Å; F52-L87 HydrophobicContact CE1-CD1 4.18Å; F52-T113 HydrophobicContact CD1-CG2 3.52Å; F52-T113 HydrophobicContact CE1-CG2 3.39Å; F52-T113 HydrophobicContact CZ-CG2 4.32Å; F52-H117 AromaticContact CD1-CE1 3.94Å; F52-H117 AromaticContact CG-CE1 3.92Å
53	T	68	Low	53.5	Low	93 Å²	93	79.9 Å²	79.9	57%	0.571	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	132.9	173.9	53	0	0	0	0	108.7	S81	T53-S81 PolarHBondContact N-O 2.68Å; T53-S81 PolarHBondContact O-N 3.18Å; T53-S81 PolarHBondContact OG1-O 2.89Å
54	V	73.6	Confident	55.2	Low	46 Å²	46	80.4 Å²	80.4	28%	0.279	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	172.3	178.8	0	0	0	0	107.3	T79 I80 H117 L123	V54-T79 WeakPolarHBondContact CA-O 3.35Å; V54-I80 HydrophobicContact CG2-CG1 4.19Å; V54-I80 HydrophobicContact CG2-CG2 4.44Å; V54-H117 WeakPolarHBondContact CG2-CD2 3.49Å; V54-H117 WeakPolarHBondContact CG2-NE2 3.38Å; V54-L123 HydrophobicContact CG1-CD2 3.92Å
55	S	72.4	Confident	56.9	Low	69 Å²	69	82.2 Å²	82.2	48%	0.483	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.1	165.5	50.6	0	0	0	0	108.3	F78 T79	S55-F78 CarbonylContact O-C 3.58Å; S55-F78 VanDerWaalsContact O-CA 3.31Å; S55-F78 WeakPolarHBondContact O-CA 3.4Å; S55-T79 PolarHBondContact N-O 3.17Å; S55-T79 PolarHBondContact O-N 3.15Å; S55-T79 WeakPolarHBondContact OG-CB 3.29Å
56	Q	73.1	Confident	58.6	Low	58 Å²	58	84.9 Å²	84.9	27%	0.271	49%	0.489	S	S	.	.			trans	-142.8	156	175.5	61.4	174.8	11.5	0	0	108.3	T58 F78 D124	Q56-T58 PolarHBondContact O-N 3.36Å; Q56-F78 HydrophobicContact CB-CB 4.03Å; Q56-D124 VanDerWaalsContact NE2-CG 3.26Å; Q56-D124 PolarHBondContact NE2-OD1 3.5Å
57	Q	65.3	Low	60	Low	93 Å²	93	81.9 Å²	81.9	44%	0.435	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-67.4	130.9	177.5	-67.8	-178	-14.5	0	0	110.3	K59 N77	Q57-K59 PolarHBondContact O-N 3.44Å; Q57-N77 PolarHBondContact NE2-ND2 2.86Å
58	T	62	Low	61.2	Low	146 Å²	146	83 Å²	83	90%	0.896	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-68.4	123.9	175	-13.6	0	0	0	0	109.8	Q56	Q56-T58 PolarHBondContact O-N 3.36Å
59	K	63.2	Low	62.2	Low	62 Å²	62	86 Å²	86	27%	0.27	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-83.9	149.2	176.2	-66.1	-177.9	-176.3	173.8	0	111.6	Q57 Q63 M67 K74 D124	Q57-K59 PolarHBondContact O-N 3.44Å; K59-Q63 HydrophobicContact CB-CB 4.2Å; K59-M67 HydrophobicContact CD-SD 3.77Å; K59-M67 PolarHBondContact NZ-SD 2.53Å; K59-K74 PolarHBondContact NZ-O 3.2Å; K59-D124 HydrophobicContact CD-CB 4.49Å
60	T	63.5	Low	63.6	Low	84 Å²	84	87.1 Å²	87.1	52%	0.515	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-77.4	154.4	173.3	50.6	0	0	0	0	111.1	A62 Q63 T64	T60-A62 PolarHBondContact O-N 2.99Å; T60-A62 VanDerWaalsContact O-N 3.12Å; T60-Q63 VanDerWaalsContact N-OE1 3.07Å; T60-Q63 WeakPolarHBondContact O-CA 3.46Å; T60-Q63 WeakPolarHBondContact O-CB 3.38Å; T60-Q63 PolarHBondContact O-N 3.16Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.35Å; T60-Q63 PolarHBondContact OG1-OE1 3.47Å; T60-T64 PolarHBondContact O-N 3.2Å; T60-T64 PolarHBondContact O-OG1 2.78Å
61	A	58.5	Low	65	Low	76 Å²	76	87 Å²	87	63%	0.628	48%	0.478	S	S	*	.	H	α-helix	trans	-54.3	-34.5	179.6	0	0	0	0	0	113.5	T64 Q65	A61-T64 PolarHBondContact O-N 3.3Å; A61-Q65 WeakPolarHBondContact O-CG 3.34Å; A61-Q65 PolarHBondContact O-N 2.75Å
62	A	57.2	Low	66.3	Low	57 Å²	57	86.6 Å²	86.6	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-39.4	175.2	0	0	0	0	0	112.7	T60 T64 Q65 L66	T60-A62 PolarHBondContact O-N 2.99Å; T60-A62 VanDerWaalsContact O-N 3.12Å; A62-T64 VanDerWaalsContact C-N 3.34Å; A62-Q65 PolarHBondContact O-N 2.92Å; A62-L66 WeakPolarHBondContact O-CD1 3.5Å; A62-L66 WeakPolarHBondContact O-CG 3.05Å; A62-L66 PolarHBondContact O-N 3.11Å
63	Q	60.3	Low	67.2	Low	95 Å²	95	85.3 Å²	85.3	44%	0.444	47%	0.473	S	S	.	.	H	α-helix	trans	-67.3	-37	174.1	-71.6	170.7	-28.8	0	0	111.1	K59 T60 L66 M67	K59-Q63 HydrophobicContact CB-CB 4.2Å; T60-Q63 VanDerWaalsContact N-OE1 3.07Å; T60-Q63 WeakPolarHBondContact O-CA 3.46Å; T60-Q63 WeakPolarHBondContact O-CB 3.38Å; T60-Q63 PolarHBondContact O-N 3.16Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.35Å; T60-Q63 PolarHBondContact OG1-OE1 3.47Å; Q63-L66 PolarHBondContact O-N 2.9Å; Q63-M67 WeakPolarHBondContact O-CG 3.34Å; Q63-M67 PolarHBondContact O-N 2.83Å; Q63-M67 VanDerWaalsContact O-N 3.15Å
64	T	61	Low	68	Low	74 Å²	74	86 Å²	86	45%	0.454	47%	0.468	S	S	.	.	H	α-helix	trans	-64.5	-43	175.5	-47.6	0	0	0	0	111.8	T60 A61 A62 L66 M67 E68	T60-T64 PolarHBondContact O-N 3.2Å; T60-T64 PolarHBondContact O-OG1 2.78Å; A61-T64 PolarHBondContact O-N 3.3Å; A62-T64 VanDerWaalsContact C-N 3.34Å; T64-L66 PolarHBondContact O-N 2.9Å; T64-M67 WeakPolarHBondContact O-CB 3.34Å; T64-M67 PolarHBondContact O-N 2.93Å; T64-M67 VanDerWaalsContact O-N 3.12Å; T64-E68 PolarHBondContact O-N 3.01Å
65	Q	59	Low	68.6	Low	133 Å²	133	83.9 Å²	83.9	62%	0.621	46%	0.456	S	S	*	.	H	α-helix	trans	-63.4	-40.2	175.2	-74.5	178	-11	0	0	112.5	A61 A62 M67 E68	A61-Q65 WeakPolarHBondContact O-CG 3.34Å; A61-Q65 PolarHBondContact O-N 2.75Å; A62-Q65 PolarHBondContact O-N 2.92Å; Q65-M67 PolarHBondContact O-N 3.41Å; Q65-E68 PolarHBondContact O-N 3.45Å
66	L	62	Low	69.1	Low	126 Å²	126	84.8 Å²	84.8	66%	0.66	45%	0.452	S	S	*	.	H	α-helix	trans	-60.8	-31.3	174.1	-78.6	159.8	0	0	0	112.1	A62 Q63 T64 V70	A62-L66 WeakPolarHBondContact O-CD1 3.5Å; A62-L66 WeakPolarHBondContact O-CG 3.05Å; A62-L66 PolarHBondContact O-N 3.11Å; Q63-L66 PolarHBondContact O-N 2.9Å; T64-L66 PolarHBondContact O-N 2.9Å; L66-V70 VanDerWaalsContact O-CG2 3.25Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å
67	M	60.5	Low	69.4	Low	32 Å²	32	85.4 Å²	85.4	16%	0.158	46%	0.457	C	S	.	.	H	α-helix	trans	-73.7	-21.5	-179.9	-73.7	179	66.8	0	0	114.1	K59 Q63 T64 Q65 N69 V70 D124 P126	K59-M67 HydrophobicContact CD-SD 3.77Å; K59-M67 PolarHBondContact NZ-SD 2.53Å; Q63-M67 WeakPolarHBondContact O-CG 3.34Å; Q63-M67 PolarHBondContact O-N 2.83Å; Q63-M67 VanDerWaalsContact O-N 3.15Å; T64-M67 WeakPolarHBondContact O-CB 3.34Å; T64-M67 PolarHBondContact O-N 2.93Å; T64-M67 VanDerWaalsContact O-N 3.12Å; Q65-M67 PolarHBondContact O-N 3.41Å; M67-N69 PolarHBondContact O-N 3.12Å; M67-N69 VanDerWaalsContact O-N 3.17Å; M67-V70 PolarHBondContact O-N 2.8Å; M67-V70 VanDerWaalsContact O-N 3.08Å; M67-D124 WeakPolarHBondContact CE-O 3.27Å; M67-P126 HydrophobicContact CB-CG 4.45Å; M67-P126 HydrophobicContact CE-CG 3.66Å
68	E	62.6	Low	70.3	Confident	123 Å²	123	81 Å²	81	58%	0.575	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.1	-177.2	-68.4	-176	168.9	0	0	112.8	T64 Q65 N128	T64-E68 PolarHBondContact O-N 3.01Å; Q65-E68 PolarHBondContact O-N 3.45Å; E68-N128 PolarHBondContact O-ND2 3.23Å
69	N	66.2	Low	71.3	Confident	144 Å²	144	74.8 Å²	74.8	77%	0.77	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-4.5	179.8	-65.7	-37.9	0	0	0	113.7	M67	M67-N69 PolarHBondContact O-N 3.12Å; M67-N69 VanDerWaalsContact O-N 3.17Å
70	V	75.3	Confident	72.4	Confident	58 Å²	58	71.9 Å²	71.9	35%	0.352	39%	0.386	S	S	.	.			trans	-84.5	131.1	-175.3	177.9	0	0	0	0	109.3	L66 M67 D72 N128	L66-V70 VanDerWaalsContact O-CG2 3.25Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å; M67-V70 PolarHBondContact O-N 2.8Å; M67-V70 VanDerWaalsContact O-N 3.08Å; V70-D72 HydrophobicContact CG1-CB 4.05Å; V70-D72 VanDerWaalsContact CG1-O 3.27Å; V70-D72 WeakPolarHBondContact CG1-O 3.32Å; V70-N128 PolarHBondContact O-ND2 3.03Å
71	Q	78.5	Confident	73.2	Confident	142 Å²	142	68.5 Å²	68.5	66%	0.664	37%	0.366	S	S	*	.			trans	-90.6	-15.8	176.1	-61.9	-175.9	-7.7	0	0	112.7	A97 I129	Q71-A97 HydrophobicContact CB-CB 3.76Å; Q71-I129 WeakPolarHBondContact O-CD1 3.25Å
72	D	84.7	Confident	73.9	Confident	76 Å²	76	65.5 Å²	65.5	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-90.9	142.8	-179.7	-64.5	-16.5	0	0	0	111.4	V70 I95 A96 A97	V70-D72 HydrophobicContact CG1-CB 4.05Å; V70-D72 VanDerWaalsContact CG1-O 3.27Å; V70-D72 WeakPolarHBondContact CG1-O 3.32Å; D72-I95 WeakPolarHBondContact CA-O 3.47Å; D72-A96 WeakPolarHBondContact OD1-CA 3.26Å; D72-A97 PolarHBondContact OD1-N 2.98Å
73	I	85.1	Confident	74.4	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.6	173.2	-55.1	172	0	0	0	108	V75 I94 I95 I125 I129 L241	I73-V75 HydrophobicContact CG2-CG2 4.16Å; I73-I94 CarbonylContact O-C 3.53Å; I73-I94 WeakPolarHBondContact O-CA 3.49Å; I73-I95 HydrophobicContact CB-CB 4.12Å; I73-I95 HydrophobicContact CD1-CD1 4.44Å; I73-I95 PolarHBondContact N-O 2.77Å; I73-I95 PolarHBondContact O-N 3.29Å; I73-I125 HydrophobicContact CD1-CG2 4.16Å; I73-I125 HydrophobicContact CG1-CG2 4.33Å; I73-I125 HydrophobicContact CG2-CG1 4.22Å; I73-I129 HydrophobicContact CD1-CD1 4.22Å; I73-I129 HydrophobicContact CD1-CG2 4.28Å; I73-I129 HydrophobicContact CG1-CD1 3.5Å; I73-L241 HydrophobicContact CD1-CD2 3.61Å
74	K	85	Confident	74.6	Confident	107 Å²	107	69.3 Å²	69.3	47%	0.465	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	108.7	174.7	-167.1	-179.2	-176.6	-151.4	0	110.3	K59 E76 L93 I94	K59-K74 PolarHBondContact NZ-O 3.2Å; K74-E76 WeakPolarHBondContact CE-OE1 3Å; K74-E76 HydrophobicContact CG-CG 4.35Å; K74-E76 IonicContact NZ-OE1 3.89Å; K74-E76 PolarHBondContact NZ-OE1 3.1Å; K74-L93 WeakPolarHBondContact CA-O 3.47Å; K74-I94 HydrophobicContact CG-CG1 4.46Å
75	V	84.8	Confident	75.1	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.1	174.7	-169.7	0	0	0	0	107.8	I73 F78 C92 L93 L123	I73-V75 HydrophobicContact CG2-CG2 4.16Å; V75-F78 HydrophobicContact CB-CD1 4.19Å; V75-F78 HydrophobicContact CG1-CB 4.17Å; V75-F78 HydrophobicContact CG1-CD1 3.73Å; V75-F78 HydrophobicContact CG1-CG 4.17Å; V75-C92 CarbonylContact O-C 3.54Å; V75-C92 WeakPolarHBondContact O-CA 3.25Å; V75-C92 PolarHBondContact O-SG 3.43Å; V75-C92 VanDerWaalsContact O-SG 3.41Å; V75-L93 HydrophobicContact CB-CB 4.19Å; V75-L93 PolarHBondContact N-O 3.48Å; V75-L93 PolarHBondContact O-N 3.49Å; V75-L123 HydrophobicContact CG1-CD2 4.4Å; V75-L123 HydrophobicContact CG2-CB 4.35Å
76	E	82.3	Confident	76	Confident	88 Å²	88	67.3 Å²	67.3	41%	0.411	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.3	-177.2	-63.8	-175.5	154.2	0	0	110.5	K74 F78	K74-E76 WeakPolarHBondContact CE-OE1 3Å; K74-E76 HydrophobicContact CG-CG 4.35Å; K74-E76 IonicContact NZ-OE1 3.89Å; K74-E76 PolarHBondContact NZ-OE1 3.1Å; E76-F78 VanDerWaalsContact C-N 3.32Å; E76-F78 PolarHBondContact O-N 3.05Å
77	N	80.3	Confident	76.9	Confident	71 Å²	71	62 Å²	62	38%	0.38	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.7	45.9	170.7	-57.4	-34.5	0	0	0	114.9	Q57 A91	Q57-N77 PolarHBondContact NE2-ND2 2.86Å; N77-A91 WeakPolarHBondContact CA-O 3.32Å; N77-A91 PolarHBondContact N-O 3.12Å; N77-A91 VanDerWaalsContact N-O 3.1Å
78	F	83.3	Confident	77.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.1	173.8	73.1	-84.4	0	0	0	110.8	S55 Q56 V75 E76 I80 L88 N90 A91 L93 L114 L123 L295	S55-F78 CarbonylContact O-C 3.58Å; S55-F78 VanDerWaalsContact O-CA 3.31Å; S55-F78 WeakPolarHBondContact O-CA 3.4Å; Q56-F78 HydrophobicContact CB-CB 4.03Å; V75-F78 HydrophobicContact CB-CD1 4.19Å; V75-F78 HydrophobicContact CG1-CB 4.17Å; V75-F78 HydrophobicContact CG1-CD1 3.73Å; V75-F78 HydrophobicContact CG1-CG 4.17Å; E76-F78 VanDerWaalsContact C-N 3.32Å; E76-F78 PolarHBondContact O-N 3.05Å; F78-I80 HydrophobicContact CD2-CD1 4Å; F78-I80 HydrophobicContact CD2-CG1 3.77Å; F78-I80 HydrophobicContact CE2-CD1 3.79Å; F78-I80 HydrophobicContact CE2-CG1 3.94Å; F78-L88 HydrophobicContact CE2-CB 4.46Å; F78-L88 HydrophobicContact CE2-CD1 3.74Å; F78-L88 HydrophobicContact CZ-CD1 4.23Å; F78-N90 PolarHBondContact O-N 3.46Å; F78-A91 HydrophobicContact CD1-CB 4.45Å; F78-A91 WeakPolarHBondContact CD1-O 3.42Å; F78-A91 HydrophobicContact CE1-CB 3.92Å; F78-A91 WeakPolarHBondContact CE1-O 3.43Å; F78-A91 HydrophobicContact CE2-CB 4.27Å; F78-A91 HydrophobicContact CZ-CB 3.83Å; F78-A91 PolarHBondContact N-O 3.1Å; F78-A91 PolarHBondContact O-N 2.93Å; F78-L93 HydrophobicContact CE1-CB 3.65Å; F78-L93 HydrophobicContact CZ-CB 4.13Å; F78-L114 HydrophobicContact CE2-CD1 3.94Å; F78-L114 HydrophobicContact CZ-CD1 3.95Å; F78-L123 HydrophobicContact CB-CD2 4.07Å; F78-L123 HydrophobicContact CD2-CD1 4.43Å; F78-L123 HydrophobicContact CD2-CD2 3.7Å; F78-L123 HydrophobicContact CE2-CD1 4.23Å; F78-L123 HydrophobicContact CE2-CD2 4.31Å; F78-L123 HydrophobicContact CG-CD2 3.89Å; F78-L295 HydrophobicContact CZ-CD1 4.08Å
79	T	84.6	Confident	78.8	Confident	17 Å²	17	56.8 Å²	56.8	10%	0.104	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.6	178.3	-66.7	0	0	0	0	108.3	V54 S55 L88 N90	V54-T79 WeakPolarHBondContact CA-O 3.35Å; S55-T79 PolarHBondContact N-O 3.17Å; S55-T79 PolarHBondContact O-N 3.15Å; S55-T79 WeakPolarHBondContact OG-CB 3.29Å; T79-L88 CarbonylContact C-O 3.58Å; T79-L88 WeakPolarHBondContact CA-O 3.33Å; T79-L88 VanDerWaalsContact CG2-O 3.29Å; T79-L88 WeakPolarHBondContact CG2-O 3.32Å; T79-N90 PolarHBondContact OG1-N 2.96Å; T79-N90 PolarHBondContact OG1-OD1 3.15Å
80	I	85	Confident	79.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123	178.1	-53.2	-169.9	0	0	0	108.3	V54 F78 L87 L88 T113 L114 H117	V54-I80 HydrophobicContact CG2-CG1 4.19Å; V54-I80 HydrophobicContact CG2-CG2 4.44Å; F78-I80 HydrophobicContact CD2-CD1 4Å; F78-I80 HydrophobicContact CD2-CG1 3.77Å; F78-I80 HydrophobicContact CE2-CD1 3.79Å; F78-I80 HydrophobicContact CE2-CG1 3.94Å; I80-L87 WeakPolarHBondContact O-CB 3.38Å; I80-L87 PolarHBondContact O-N 2.81Å; I80-L88 HydrophobicContact CB-CB 4.26Å; I80-L88 HydrophobicContact CD1-CD1 4.03Å; I80-L88 HydrophobicContact CG1-CB 4.45Å; I80-L88 HydrophobicContact CG1-CD1 4.29Å; I80-L88 PolarHBondContact N-O 3.04Å; I80-L88 PolarHBondContact O-N 3.09Å; I80-L88 VanDerWaalsContact O-N 3.12Å; I80-T113 HydrophobicContact CG2-CG2 4.11Å; I80-L114 HydrophobicContact CD1-CD1 4.31Å; I80-H117 HydrophobicContact CD1-CB 4.16Å
81	S	80.8	Confident	79.8	Confident	13 Å²	13	51.6 Å²	51.6	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.6	178.9	-50	0	0	0	0	110.3	F52 T53 K85 D86	F52-S81 WeakPolarHBondContact CA-O 3.35Å; T53-S81 PolarHBondContact N-O 2.68Å; T53-S81 PolarHBondContact O-N 3.18Å; T53-S81 PolarHBondContact OG1-O 2.89Å; S81-K85 CarbonylContact C-O 3.55Å; S81-K85 WeakPolarHBondContact CA-O 3.36Å; S81-D86 WeakPolarHBondContact CB-OD1 3.39Å; S81-D86 PolarHBondContact OG-OD1 3.21Å
82	A	72.4	Confident	80.1	Confident	14 Å²	14	46.7 Å²	46.7	12%	0.116	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.5	-177	0	0	0	0	0	109.5	F52 G84 K85 L87	F52-A82 HydrophobicContact CD1-CB 3.37Å; F52-A82 HydrophobicContact CE1-CB 3.17Å; F52-A82 HydrophobicContact CG-CB 4.35Å; F52-A82 HydrophobicContact CZ-CB 4.01Å; A82-G84 PolarHBondContact O-N 3.08Å; A82-G84 VanDerWaalsContact O-N 3.09Å; A82-K85 PolarHBondContact N-O 2.87Å; A82-K85 WeakPolarHBondContact O-CB 2.9Å; A82-K85 PolarHBondContact O-N 3.32Å; A82-L87 HydrophobicContact CB-CD1 3.69Å; A82-L87 HydrophobicContact CB-CG 4.08Å
83	Q	67.8	Low	80.3	Confident	154 Å²	154	43.1 Å²	43.1	72%	0.72	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	38.9	179.6	-57.8	-179.3	-12.9	0	0	113.4	Q51 K85	Q51-Q83 HydrophobicContact CB-CG 4.27Å; Q51-Q83 PolarHBondContact O-N 3.45Å; Q51-Q83 VanDerWaalsContact O-N 3.07Å; Q83-K85 VanDerWaalsContact C-N 3.31Å; Q83-K85 PolarHBondContact O-N 3.11Å
84	G	65.5	Low	80.4	Confident	78 Å²	78	46.4 Å²	46.4	80%	0.804	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-0.1	-178.2	0	0	0	0	0	115.9	A82	A82-G84 PolarHBondContact O-N 3.08Å; A82-G84 VanDerWaalsContact O-N 3.09Å
85	K	72.1	Confident	80.7	Confident	92 Å²	92	41.4 Å²	41.4	40%	0.4	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.8	171.6	-176.6	-174.4	175.7	-166.5	0	110.3	S81 A82 Q83 L87	S81-K85 CarbonylContact C-O 3.55Å; S81-K85 WeakPolarHBondContact CA-O 3.36Å; A82-K85 PolarHBondContact N-O 2.87Å; A82-K85 WeakPolarHBondContact O-CB 2.9Å; A82-K85 PolarHBondContact O-N 3.32Å; Q83-K85 VanDerWaalsContact C-N 3.31Å; Q83-K85 PolarHBondContact O-N 3.11Å; K85-L87 HydrophobicContact CD-CD2 4.42Å; K85-L87 PolarHBondContact O-N 3.07Å
86	D	78	Confident	80.9	Confident	72 Å²	72	42.1 Å²	42.1	39%	0.385	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.4	173	-58	-29.5	0	0	0	110.4	S81 V89 Q293	S81-D86 WeakPolarHBondContact CB-OD1 3.39Å; S81-D86 PolarHBondContact OG-OD1 3.21Å; D86-V89 HydrophobicContact CB-CG2 3.62Å; D86-Q293 PolarHBondContact O-NE2 3.15Å
87	L	80.1	Confident	81.2	Confident	16 Å²	16	39.6 Å²	39.6	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-42.8	175.9	-61.7	179.5	0	0	0	110.5	F52 I80 A82 K85 T113 Q293	F52-L87 HydrophobicContact CE1-CD1 4.18Å; I80-L87 WeakPolarHBondContact O-CB 3.38Å; I80-L87 PolarHBondContact O-N 2.81Å; A82-L87 HydrophobicContact CB-CD1 3.69Å; A82-L87 HydrophobicContact CB-CG 4.08Å; K85-L87 HydrophobicContact CD-CD2 4.42Å; K85-L87 PolarHBondContact O-N 3.07Å; L87-T113 HydrophobicContact CD1-CG2 3.84Å; L87-Q293 WeakPolarHBondContact O-CA 3.43Å; L87-Q293 WeakPolarHBondContact O-CB 3.33Å; L87-Q293 WeakPolarHBondContact O-CG 3.44Å
88	L	82.5	Confident	81.5	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.4	179.3	-73.1	164.4	0	0	0	108.4	F78 T79 I80 A91 L114 L290 Q293 L295	F78-L88 HydrophobicContact CE2-CB 4.46Å; F78-L88 HydrophobicContact CE2-CD1 3.74Å; F78-L88 HydrophobicContact CZ-CD1 4.23Å; T79-L88 CarbonylContact C-O 3.58Å; T79-L88 WeakPolarHBondContact CA-O 3.33Å; T79-L88 VanDerWaalsContact CG2-O 3.29Å; T79-L88 WeakPolarHBondContact CG2-O 3.32Å; I80-L88 HydrophobicContact CB-CB 4.26Å; I80-L88 HydrophobicContact CD1-CD1 4.03Å; I80-L88 HydrophobicContact CG1-CB 4.45Å; I80-L88 HydrophobicContact CG1-CD1 4.29Å; I80-L88 PolarHBondContact N-O 3.04Å; I80-L88 PolarHBondContact O-N 3.09Å; I80-L88 VanDerWaalsContact O-N 3.12Å; L88-A91 HydrophobicContact CB-CB 4.14Å; L88-A91 HydrophobicContact CD2-CB 3.92Å; L88-L114 HydrophobicContact CD1-CB 4.37Å; L88-L114 HydrophobicContact CD1-CD1 3.95Å; L88-L114 HydrophobicContact CD1-CD2 4.45Å; L88-L114 HydrophobicContact CD1-CG 4.49Å; L88-L290 HydrophobicContact CD2-CD1 3.35Å; L88-L290 HydrophobicContact CG-CD1 4.36Å; L88-Q293 CarbonylContact C-O 3.51Å; L88-Q293 VanDerWaalsContact CA-O 3.32Å; L88-Q293 WeakPolarHBondContact CA-O 3.47Å; L88-L295 HydrophobicContact CD2-CD2 4.29Å; L88-L295 HydrophobicContact CD2-CG 4.21Å
89	V	81	Confident	81.9	Confident	42 Å²	42	42.5 Å²	42.5	26%	0.255	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.8	-179.2	-178.7	0	0	0	0	109.5	D86 A91 Q293	D86-V89 HydrophobicContact CB-CG2 3.62Å; V89-A91 PolarHBondContact O-N 3.5Å; V89-Q293 HydrophobicContact CB-CB 4.44Å; V89-Q293 HydrophobicContact CG2-CB 4.19Å; V89-Q293 PolarHBondContact N-O 2.95Å
90	N	78.4	Confident	82.4	Confident	92 Å²	92	43.9 Å²	43.9	49%	0.492	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.4	46	-176.9	-62.2	-21.5	0	0	0	111.6	F78 T79	F78-N90 PolarHBondContact O-N 3.46Å; T79-N90 PolarHBondContact OG1-N 2.96Å; T79-N90 PolarHBondContact OG1-OD1 3.15Å
91	A	82.8	Confident	82.9	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	153.7	179	0	0	0	0	0	110.2	N77 F78 L88 V89 L295	N77-A91 WeakPolarHBondContact CA-O 3.32Å; N77-A91 PolarHBondContact N-O 3.12Å; N77-A91 VanDerWaalsContact N-O 3.1Å; F78-A91 HydrophobicContact CD1-CB 4.45Å; F78-A91 WeakPolarHBondContact CD1-O 3.42Å; F78-A91 HydrophobicContact CE1-CB 3.92Å; F78-A91 WeakPolarHBondContact CE1-O 3.43Å; F78-A91 HydrophobicContact CE2-CB 4.27Å; F78-A91 HydrophobicContact CZ-CB 3.83Å; F78-A91 PolarHBondContact N-O 3.1Å; F78-A91 PolarHBondContact O-N 2.93Å; L88-A91 HydrophobicContact CB-CB 4.14Å; L88-A91 HydrophobicContact CD2-CB 3.92Å; V89-A91 PolarHBondContact O-N 3.5Å; A91-L295 HydrophobicContact CB-CD1 4.5Å; A91-L295 HydrophobicContact CB-CG 4.41Å
92	C	85.4	Confident	83.5	Confident	38 Å²	38	43.6 Å²	43.6	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.3	173.8	-177.9	0	0	0	0	108.8	V75 Y297	V75-C92 CarbonylContact O-C 3.54Å; V75-C92 WeakPolarHBondContact O-CA 3.25Å; V75-C92 PolarHBondContact O-SG 3.43Å; V75-C92 VanDerWaalsContact O-SG 3.41Å; C92-Y297 WeakPolarHBondContact O-CE2 3.48Å; C92-Y297 PolarHBondContact O-OH 3.04Å; C92-Y297 VanDerWaalsContact O-OH 3.14Å
93	L	88.8	Confident	84.5	Confident	2 Å²	2	43 Å²	43	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.4	178	-177.7	68.6	0	0	0	108.6	K74 V75 F78 I95 I118 L123 L295 Y297	K74-L93 WeakPolarHBondContact CA-O 3.47Å; V75-L93 HydrophobicContact CB-CB 4.19Å; V75-L93 PolarHBondContact N-O 3.48Å; V75-L93 PolarHBondContact O-N 3.49Å; F78-L93 HydrophobicContact CE1-CB 3.65Å; F78-L93 HydrophobicContact CZ-CB 4.13Å; L93-I95 HydrophobicContact CD1-CD1 4.08Å; L93-I95 HydrophobicContact CD1-CG1 4.08Å; L93-I95 HydrophobicContact CD2-CD1 4.38Å; L93-I95 HydrophobicContact CG-CD1 4.29Å; L93-I95 HydrophobicContact CG-CG1 4.22Å; L93-I118 HydrophobicContact CD2-CD1 3.64Å; L93-I118 HydrophobicContact CD2-CG1 3.95Å; L93-L123 HydrophobicContact CD2-CD1 4.36Å; L93-L295 HydrophobicContact CB-CD1 4.36Å; L93-L295 HydrophobicContact CD1-CD1 3.99Å; L93-Y297 VanDerWaalsContact CA-OH 3.24Å; L93-Y297 WeakPolarHBondContact CA-OH 3.44Å
94	I	88.3	Confident	85.5	Confident	73 Å²	73	36.1 Å²	36.1	37%	0.374	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.6	177	-52.7	177.1	0	0	0	108.6	I73 K74 Y297	I73-I94 CarbonylContact O-C 3.53Å; I73-I94 WeakPolarHBondContact O-CA 3.49Å; K74-I94 HydrophobicContact CG-CG1 4.46Å; I94-Y297 HydrophobicContact CB-CE1 4.35Å; I94-Y297 PolarHBondContact N-OH 2.81Å; I94-Y297 WeakPolarHBondContact O-CE1 3.42Å
95	I	90.4	Very high	86.5	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	104.3	175.9	-53.1	-179.1	0	0	0	107.7	D72 I73 L93 Y101 L241 T269 L271	D72-I95 WeakPolarHBondContact CA-O 3.47Å; I73-I95 HydrophobicContact CB-CB 4.12Å; I73-I95 HydrophobicContact CD1-CD1 4.44Å; I73-I95 PolarHBondContact N-O 2.77Å; I73-I95 PolarHBondContact O-N 3.29Å; L93-I95 HydrophobicContact CD1-CD1 4.08Å; L93-I95 HydrophobicContact CD1-CG1 4.08Å; L93-I95 HydrophobicContact CD2-CD1 4.38Å; L93-I95 HydrophobicContact CG-CD1 4.29Å; L93-I95 HydrophobicContact CG-CG1 4.22Å; I95-Y101 HydrophobicContact CB-CE2 4.17Å; I95-Y101 HydrophobicContact CG2-CD2 3.65Å; I95-Y101 HydrophobicContact CG2-CE2 3.42Å; I95-Y101 VanDerWaalsContact CG2-CE2 3.42Å; I95-L241 HydrophobicContact CG2-CD1 4.46Å; I95-T269 HydrophobicContact CG2-CG2 3.41Å; I95-T269 VanDerWaalsContact CG2-CG2 3.41Å; I95-L271 HydrophobicContact CD1-CD2 4.15Å
96	A	90	Very high	86.8	Confident	17 Å²	17	29.7 Å²	29.7	14%	0.14	17%	0.173	C	C	.	.			trans	-76.3	143.8	173.3	0	0	0	0	0	112	D72 R99 Y101	D72-A96 WeakPolarHBondContact OD1-CA 3.26Å; A96-R99 HydrophobicContact CB-CG 4.37Å; A96-Y101 WeakPolarHBondContact CB-OH 3.29Å; A96-Y101 PolarHBondContact N-OH 2.96Å
97	A	87.8	Confident	86.9	Confident	34 Å²	34	27.8 Å²	27.8	28%	0.281	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	142.1	-179.2	0	0	0	0	0	112.8	Q71 D72 R99 T269	Q71-A97 HydrophobicContact CB-CB 3.76Å; D72-A97 PolarHBondContact OD1-N 2.98Å; A97-R99 PolarHBondContact O-N 3.06Å; A97-T269 WeakPolarHBondContact CA-OG1 3.3Å
98	G	86.8	Confident	86.6	Confident	43 Å²	43	29 Å²	29	44%	0.443	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	7.2	175.9	0	0	0	0	0	114.9	T269	G98-T269 PolarHBondContact N-OG1 2.96Å
99	R	91.9	Very high	86.4	Confident	90 Å²	90	32.6 Å²	32.6	34%	0.34	20%	0.197	S	C	.	.			trans	-99.2	161.6	174	-60.5	-151.6	-169	164.3	8.4	112.2	A96 A97 Y101 T269 L270 D286	A96-R99 HydrophobicContact CB-CG 4.37Å; A97-R99 PolarHBondContact O-N 3.06Å; R99-Y101 HydrophobicContact CB-CD2 4.26Å; R99-Y101 HydrophobicContact CB-CE2 3.54Å; R99-T269 WeakPolarHBondContact O-CA 3.26Å; R99-L270 PolarHBondContact O-N 3.49Å; R99-D286 WeakPolarHBondContact CD-OD2 3.41Å; R99-D286 IonicContact NH1-OD1 2.8Å; R99-D286 PolarHBondContact NH1-OD1 3.35Å; R99-D286 IonicContact NH1-OD2 2.71Å
100	R	94.6	Very high	86.3	Confident	46 Å²	46	31 Å²	31	17%	0.174	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	106.9	-177.8	-57.2	174.3	-65.1	-165.3	4.4	108.9	L263 Q264 L270 V283 T285 D286	R100-L263 PolarHBondContact NH1-O 3.38Å; R100-Q264 VanDerWaalsContact NH1-CA 3.31Å; R100-Q264 PolarHBondContact NH1-O 2.77Å; R100-L270 CarbonylContact C-O 3.5Å; R100-L270 WeakPolarHBondContact CA-O 3.3Å; R100-L270 HydrophobicContact CB-CB 4.18Å; R100-L270 HydrophobicContact CB-CD2 4.37Å; R100-L270 HydrophobicContact CG-CB 3.93Å; R100-L270 HydrophobicContact CG-CD2 4.28Å; R100-V283 WeakPolarHBondContact CD-O 3.46Å; R100-V283 PolarHBondContact NE-O 2.87Å; R100-T285 HydrophobicContact CB-CG2 4.48Å; R100-T285 PolarHBondContact N-OG1 2.75Å; R100-T285 VanDerWaalsContact N-OG1 3.09Å; R100-T285 PolarHBondContact O-N 3Å; R100-T285 PolarHBondContact O-OG1 2.75Å; R100-D286 PolarHBondContact O-N 2.91Å
101	Y	94.8	Very high	86.7	Confident	7 Å²	7	27.2 Å²	27.2	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.6	-175.2	-65.6	-87.9	0	0	0	110.8	I95 A96 R99 L270 L271 V272 D286 I288	I95-Y101 HydrophobicContact CB-CE2 4.17Å; I95-Y101 HydrophobicContact CG2-CD2 3.65Å; I95-Y101 HydrophobicContact CG2-CE2 3.42Å; I95-Y101 VanDerWaalsContact CG2-CE2 3.42Å; A96-Y101 WeakPolarHBondContact CB-OH 3.29Å; A96-Y101 PolarHBondContact N-OH 2.96Å; R99-Y101 HydrophobicContact CB-CD2 4.26Å; R99-Y101 HydrophobicContact CB-CE2 3.54Å; Y101-L270 PolarHBondContact N-O 3.11Å; Y101-L271 CarbonylContact O-C 3.54Å; Y101-L271 WeakPolarHBondContact O-CA 3.49Å; Y101-V272 PolarHBondContact O-N 3.23Å; Y101-D286 CarbonylContact C-O 3.59Å; Y101-D286 VanDerWaalsContact CA-O 3.28Å; Y101-D286 WeakPolarHBondContact CA-O 3.35Å; Y101-D286 HydrophobicContact CD1-CB 3.55Å; Y101-D286 HydrophobicContact CE1-CB 3.58Å; Y101-D286 HydrophobicContact CG-CB 4.44Å; Y101-I288 HydrophobicContact CD1-CD1 3.76Å; Y101-I288 HydrophobicContact CD1-CG1 3.75Å; Y101-I288 HydrophobicContact CG-CD1 3.99Å; Y101-I288 HydrophobicContact CG-CG1 4.32Å
102	G	94	Very high	86.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.2	166.5	0	0	0	0	0	110.4	V272 C284 D286 V287 I288	G102-V272 CarbonylContact C-O 3.44Å; G102-V272 WeakPolarHBondContact CA-O 3.43Å; G102-C284 VanDerWaalsContact CA-SG 3.55Å; G102-D286 PolarHBondContact N-O 3.19Å; G102-V287 CarbonylContact O-C 3.34Å; G102-V287 WeakPolarHBondContact O-CA 3.41Å; G102-I288 PolarHBondContact O-N 2.92Å
103	L	93	Very high	86.8	Confident	2 Å²	2	29 Å²	29	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.4	175.4	175.8	62.9	0	0	0	110	K111 L114 L271 V272 V273 I288 L290 L295	L103-K111 HydrophobicContact CD2-CB 4.21Å; L103-L114 HydrophobicContact CD2-CD2 4.15Å; L103-L271 HydrophobicContact CB-CD1 4.09Å; L103-V272 PolarHBondContact N-O 2.81Å; L103-V273 HydrophobicContact CB-CG2 3.73Å; L103-V273 HydrophobicContact CD2-CG2 3.67Å; L103-V273 HydrophobicContact CG-CG2 3.91Å; L103-I288 CarbonylContact C-O 3.44Å; L103-I288 WeakPolarHBondContact CA-O 3.17Å; L103-I288 HydrophobicContact CD1-CB 4.04Å; L103-I288 HydrophobicContact CD1-CG2 3.89Å; L103-L290 HydrophobicContact CD1-CB 4.33Å; L103-L295 HydrophobicContact CD1-CD2 4.37Å
104	V	90.1	Very high	86.7	Confident	8 Å²	8	29.1 Å²	29.1	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147	-175.4	-59.2	0	0	0	0	111.6	L280 V287 I288 Q289 L290 Y302 F305	V104-L280 HydrophobicContact CG1-CD1 3.61Å; V104-V287 HydrophobicContact CB-CG1 4.46Å; V104-V287 HydrophobicContact CG1-CG1 4.14Å; V104-V287 HydrophobicContact CG2-CG1 3.48Å; V104-V287 VanDerWaalsContact CG2-CG1 3.48Å; V104-I288 PolarHBondContact N-O 3Å; V104-Q289 HydrophobicContact CG2-CB 4.08Å; V104-Q289 HydrophobicContact CG2-CG 4.22Å; V104-Q289 WeakPolarHBondContact O-CA 3.43Å; V104-L290 PolarHBondContact O-N 2.74Å; V104-Y302 HydrophobicContact CG1-CD2 4.27Å; V104-Y302 HydrophobicContact CG1-CE2 4.12Å; V104-F305 HydrophobicContact CG2-CE1 3.83Å; V104-F305 HydrophobicContact CG2-CZ 3.86Å
105	G	85.4	Confident	86.8	Confident	10 Å²	10	25.6 Å²	25.6	10%	0.103	16%	0.16	C	C	.	.			trans	163.8	167.7	173.6	0	0	0	0	0	111.9	K111	G105-K111 PolarHBondContact O-NZ 3.13Å
106	P	79	Confident	86.6	Confident	25 Å²	25	28.5 Å²	28.5	16%	0.162	17%	0.172	C	C	.	.			trans	-61.2	162.2	-179.6	-24.2	34.1	0	0	0	113.5	M109 K111 Y377	P106-M109 HydrophobicContact CB-CG 4.16Å; P106-K111 PolarHBondContact O-NZ 2.69Å; P106-K111 VanDerWaalsContact O-NZ 3.07Å; P106-Y377 HydrophobicContact CB-CD1 4.25Å; P106-Y377 HydrophobicContact CB-CE1 4.26Å; P106-Y377 HydrophobicContact CG-CD1 4.24Å
107	N	80.5	Confident	86.4	Confident	33 Å²	33	28.1 Å²	28.1	18%	0.176	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	143.2	175.7	-74.7	-12.2	0	0	0	112.6	K111 H275 N541 D543	N107-K111 PolarHBondContact OD1-NZ 3.33Å; N107-H275 PolarHBondContact OD1-NE2 3.04Å; N107-H275 VanDerWaalsContact OD1-NE2 3.15Å; N107-N541 PolarHBondContact ND2-O 2.93Å; N107-D543 PolarHBondContact N-OD2 3.44Å
108	G	74.2	Confident	86.4	Confident	42 Å²	42	26.5 Å²	26.5	43%	0.433	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	13.2	179.4	0	0	0	0	0	116
109	M	77.3	Confident	86.4	Confident	77 Å²	77	25.8 Å²	25.8	38%	0.379	14%	0.144	S	C	.	.	S	Bend	trans	-89.5	-8.4	176	-64.8	-60.7	150.4	0	0	114.1	P106 L290	P106-M109 HydrophobicContact CB-CG 4.16Å; M109-L290 HydrophobicContact CB-CD2 3.74Å; M109-L290 HydrophobicContact CB-CG 4.08Å; M109-L290 WeakPolarHBondContact O-CD2 3.25Å
110	G	79.5	Confident	86.1	Confident	7 Å²	7	26.8 Å²	26.8	7%	0.072	16%	0.156	C	C	.	.	S	Bend	trans	105.3	21.3	176.6	0	0	0	0	0	115.8	T113 L114	G110-T113 WeakPolarHBondContact O-CB 3.37Å; G110-T113 PolarHBondContact O-N 2.9Å; G110-L114 WeakPolarHBondContact O-CB 3.41Å; G110-L114 PolarHBondContact O-N 3.36Å
111	K	86.5	Confident	85.5	Confident	13 Å²	13	29.5 Å²	29.5	6%	0.057	17%	0.167	C	C	.	.	H	α-helix	trans	-56.4	-60.7	176.4	-57.1	-172.8	-61.7	-96.1	0	112.1	L103 G105 P106 N107 T113 L114 L115 V273 L290	L103-K111 HydrophobicContact CD2-CB 4.21Å; G105-K111 PolarHBondContact O-NZ 3.13Å; P106-K111 PolarHBondContact O-NZ 2.69Å; P106-K111 VanDerWaalsContact O-NZ 3.07Å; N107-K111 PolarHBondContact OD1-NZ 3.33Å; K111-T113 VanDerWaalsContact C-N 3.27Å; K111-T113 PolarHBondContact O-N 3.35Å; K111-L114 WeakPolarHBondContact O-CB 3.41Å; K111-L114 PolarHBondContact O-N 3.15Å; K111-L114 VanDerWaalsContact O-N 3.11Å; K111-L115 PolarHBondContact O-N 2.93Å; K111-V273 HydrophobicContact CB-CG1 4.41Å; K111-V273 HydrophobicContact CB-CG2 4.36Å; K111-V273 HydrophobicContact CD-CG1 4.03Å; K111-L290 HydrophobicContact CG-CD2 3.86Å
112	T	84.6	Confident	85	Confident	53 Å²	53	33 Å²	33	33%	0.325	18%	0.182	S	C	.	.	H	α-helix	trans	-58.4	-39	175	-54.5	0	0	0	0	111.9	L114 L115 K116 D245	T112-L114 PolarHBondContact O-N 3.13Å; T112-L115 PolarHBondContact O-N 3.15Å; T112-K116 HydrophobicContact CG2-CD 4.28Å; T112-K116 WeakPolarHBondContact O-CG 3.48Å; T112-K116 PolarHBondContact O-N 3.14Å; T112-D245 WeakPolarHBondContact CB-OD2 3.12Å; T112-D245 VanDerWaalsContact CG2-OD2 3.29Å; T112-D245 WeakPolarHBondContact CG2-OD2 3.04Å; T112-D245 PolarHBondContact OG1-OD2 3.48Å
113	T	84.5	Confident	84.4	Confident	26 Å²	26	33 Å²	33	16%	0.16	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175.7	-53.3	0	0	0	0	111.3	F52 I80 L87 G110 K111 K116 H117	F52-T113 HydrophobicContact CD1-CG2 3.52Å; F52-T113 HydrophobicContact CE1-CG2 3.39Å; F52-T113 HydrophobicContact CZ-CG2 4.32Å; I80-T113 HydrophobicContact CG2-CG2 4.11Å; L87-T113 HydrophobicContact CD1-CG2 3.84Å; G110-T113 WeakPolarHBondContact O-CB 3.37Å; G110-T113 PolarHBondContact O-N 2.9Å; K111-T113 VanDerWaalsContact C-N 3.27Å; K111-T113 PolarHBondContact O-N 3.35Å; T113-K116 PolarHBondContact O-N 2.99Å; T113-H117 VanDerWaalsContact CG2-CE1 3.43Å; T113-H117 WeakPolarHBondContact CG2-CE1 3.41Å; T113-H117 WeakPolarHBondContact CG2-ND1 3.29Å; T113-H117 PolarHBondContact O-N 2.69Å; T113-H117 PolarHBondContact O-ND1 2.99Å
114	L	87.7	Confident	83.7	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-47.4	176.6	178.4	62.1	0	0	0	110.9	F78 I80 L88 L103 G110 K111 T112 K116 H117 I118 L123 L295	F78-L114 HydrophobicContact CE2-CD1 3.94Å; F78-L114 HydrophobicContact CZ-CD1 3.95Å; I80-L114 HydrophobicContact CD1-CD1 4.31Å; L88-L114 HydrophobicContact CD1-CB 4.37Å; L88-L114 HydrophobicContact CD1-CD1 3.95Å; L88-L114 HydrophobicContact CD1-CD2 4.45Å; L88-L114 HydrophobicContact CD1-CG 4.49Å; L103-L114 HydrophobicContact CD2-CD2 4.15Å; G110-L114 WeakPolarHBondContact O-CB 3.41Å; G110-L114 PolarHBondContact O-N 3.36Å; K111-L114 WeakPolarHBondContact O-CB 3.41Å; K111-L114 PolarHBondContact O-N 3.15Å; K111-L114 VanDerWaalsContact O-N 3.11Å; T112-L114 PolarHBondContact O-N 3.13Å; L114-K116 PolarHBondContact O-N 3.42Å; L114-H117 PolarHBondContact O-N 2.92Å; L114-I118 HydrophobicContact CD1-CD1 4.16Å; L114-I118 HydrophobicContact CD1-CG1 4.41Å; L114-I118 HydrophobicContact CG-CD1 3.99Å; L114-I118 VanDerWaalsContact O-CG1 3.29Å; L114-I118 WeakPolarHBondContact O-CG1 3.45Å; L114-I118 PolarHBondContact O-N 3.43Å; L114-L123 HydrophobicContact CD1-CD1 4.08Å; L114-L295 HydrophobicContact CD2-CD1 4.1Å; L114-L295 HydrophobicContact CD2-CD2 4.11Å
115	L	89.5	Confident	83.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-45.6	177.1	-64.3	-175.8	0	0	0	112.2	K111 T112 H117 I118 A119 Y133 M243 D245 L271 V273	K111-L115 PolarHBondContact O-N 2.93Å; T112-L115 PolarHBondContact O-N 3.15Å; L115-H117 VanDerWaalsContact C-N 3.35Å; L115-H117 PolarHBondContact O-N 3.01Å; L115-I118 PolarHBondContact O-N 3.25Å; L115-A119 WeakPolarHBondContact O-CB 3.5Å; L115-A119 PolarHBondContact O-N 2.96Å; L115-Y133 HydrophobicContact CB-CD2 4.07Å; L115-Y133 HydrophobicContact CB-CE2 3.71Å; L115-Y133 HydrophobicContact CD1-CD2 4.44Å; L115-Y133 HydrophobicContact CD1-CE2 3.8Å; L115-Y133 HydrophobicContact CG-CE2 4.42Å; L115-M243 HydrophobicContact CD2-CB 4.33Å; L115-M243 HydrophobicContact CD2-CG 4.48Å; L115-M243 HydrophobicContact CD2-SD 3.86Å; L115-M243 WeakPolarHBondContact O-CE 3.41Å; L115-D245 HydrophobicContact CD1-CB 3.77Å; L115-L271 HydrophobicContact CD2-CD2 3.45Å; L115-L271 VanDerWaalsContact CD2-CD2 3.45Å; L115-L271 HydrophobicContact CD2-CG 4.01Å; L115-V273 HydrophobicContact CD1-CB 4.44Å; L115-V273 HydrophobicContact CD1-CG2 3.7Å; L115-V273 HydrophobicContact CG-CG2 4.3Å
116	K	86.9	Confident	83.2	Confident	63 Å²	63	35.2 Å²	35.2	27%	0.274	19%	0.191	S	C	.	.	H	α-helix	trans	-63.3	-37.2	177.4	-72.8	-176.4	176	-169.8	0	112.9	L48 T112 T113 L114 A119 N120 Y133	L48-K116 HydrophobicContact CD2-CD 4.45Å; T112-K116 HydrophobicContact CG2-CD 4.28Å; T112-K116 WeakPolarHBondContact O-CG 3.48Å; T112-K116 PolarHBondContact O-N 3.14Å; T113-K116 PolarHBondContact O-N 2.99Å; L114-K116 PolarHBondContact O-N 3.42Å; K116-A119 PolarHBondContact O-N 2.98Å; K116-N120 WeakPolarHBondContact O-CB 3.18Å; K116-N120 PolarHBondContact O-N 2.92Å; K116-N120 PolarHBondContact O-ND2 3.17Å; K116-N120 VanDerWaalsContact O-ND2 3.11Å; K116-Y133 HydrophobicContact CG-CD1 4.45Å; K116-Y133 HydrophobicContact CG-CE1 3.72Å
117	H	85.8	Confident	83.2	Confident	9 Å²	9	38.1 Å²	38.1	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-69.9	-34	176.3	-76.4	84.8	0	0	0	112.5	F52 V54 I80 T113 L114 L115 R121 K122 L123	F52-H117 AromaticContact CD1-CE1 3.94Å; F52-H117 AromaticContact CG-CE1 3.92Å; V54-H117 WeakPolarHBondContact CG2-CD2 3.49Å; V54-H117 WeakPolarHBondContact CG2-NE2 3.38Å; I80-H117 HydrophobicContact CD1-CB 4.16Å; T113-H117 VanDerWaalsContact CG2-CE1 3.43Å; T113-H117 WeakPolarHBondContact CG2-CE1 3.41Å; T113-H117 WeakPolarHBondContact CG2-ND1 3.29Å; T113-H117 PolarHBondContact O-N 2.69Å; T113-H117 PolarHBondContact O-ND1 2.99Å; L114-H117 PolarHBondContact O-N 2.92Å; L115-H117 VanDerWaalsContact C-N 3.35Å; L115-H117 PolarHBondContact O-N 3.01Å; H117-R121 PolarHBondContact O-N 3.39Å; H117-K122 VanDerWaalsContact CD2-CD 3.49Å; H117-K122 WeakPolarHBondContact CD2-CD 3.07Å; H117-K122 PolarHBondContact O-N 3.32Å; H117-K122 VanDerWaalsContact O-N 3.07Å; H117-L123 HydrophobicContact CB-CD1 4.47Å; H117-L123 HydrophobicContact CB-CG 4.41Å
118	I	87.1	Confident	83.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-48	172.2	-64.4	166.5	0	0	0	109.7	L93 L114 L115 N120 R121 L123 I125 V131 L241 M243 L271	L93-I118 HydrophobicContact CD2-CD1 3.64Å; L93-I118 HydrophobicContact CD2-CG1 3.95Å; L114-I118 HydrophobicContact CD1-CD1 4.16Å; L114-I118 HydrophobicContact CD1-CG1 4.41Å; L114-I118 HydrophobicContact CG-CD1 3.99Å; L114-I118 VanDerWaalsContact O-CG1 3.29Å; L114-I118 WeakPolarHBondContact O-CG1 3.45Å; L114-I118 PolarHBondContact O-N 3.43Å; L115-I118 PolarHBondContact O-N 3.25Å; I118-N120 PolarHBondContact O-N 3.29Å; I118-R121 PolarHBondContact O-N 3.41Å; I118-R121 VanDerWaalsContact O-N 3.09Å; I118-L123 HydrophobicContact CG1-CD1 3.89Å; I118-I125 HydrophobicContact CB-CD1 4.06Å; I118-I125 HydrophobicContact CG2-CD1 3.47Å; I118-I125 VanDerWaalsContact CG2-CD1 3.47Å; I118-I125 WeakPolarHBondContact O-CD1 3.45Å; I118-V131 HydrophobicContact CG2-CG1 4.29Å; I118-L241 HydrophobicContact CG2-CD2 4.12Å; I118-M243 HydrophobicContact CB-CE 4.04Å; I118-M243 HydrophobicContact CB-SD 3.9Å; I118-M243 HydrophobicContact CD1-SD 4.29Å; I118-M243 HydrophobicContact CG2-CE 3.8Å; I118-M243 HydrophobicContact CG2-SD 3.46Å; I118-M243 WeakPolarHBondContact CG2-SD 3.41Å; I118-L271 HydrophobicContact CD1-CD2 4.29Å
119	A	86.6	Confident	83.6	Confident	28 Å²	28	38.7 Å²	38.7	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-45.1	-178.9	0	0	0	0	0	112.3	L115 K116 R121 Y133 M243	L115-A119 WeakPolarHBondContact O-CB 3.5Å; L115-A119 PolarHBondContact O-N 2.96Å; K116-A119 PolarHBondContact O-N 2.98Å; A119-R121 PolarHBondContact O-N 2.92Å; A119-Y133 HydrophobicContact CB-CD1 4.13Å; A119-Y133 HydrophobicContact CB-CG 4Å; A119-M243 HydrophobicContact CB-CE 3.81Å
120	N	86.1	Confident	84.1	Confident	110 Å²	110	39.5 Å²	39.5	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	6.8	179.6	-68.8	-35.6	0	0	0	113.8	K116 I118 K122	K116-N120 WeakPolarHBondContact O-CB 3.18Å; K116-N120 PolarHBondContact O-N 2.92Å; K116-N120 PolarHBondContact O-ND2 3.17Å; K116-N120 VanDerWaalsContact O-ND2 3.11Å; I118-N120 PolarHBondContact O-N 3.29Å; N120-K122 HydrophobicContact CB-CG 4.37Å; N120-K122 PolarHBondContact O-N 2.85Å
121	R	82.9	Confident	84.5	Confident	104 Å²	104	40.2 Å²	40.2	39%	0.392	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	31.8	-177	-60.6	-174.6	176.4	-95.4	0.9	114	H117 I118 A119 L123 I125 P126 I129	H117-R121 PolarHBondContact O-N 3.39Å; I118-R121 PolarHBondContact O-N 3.41Å; I118-R121 VanDerWaalsContact O-N 3.09Å; A119-R121 PolarHBondContact O-N 2.92Å; R121-L123 CarbonylContact C-O 3.48Å; R121-L123 PolarHBondContact O-N 3.24Å; R121-I125 PolarHBondContact NH1-O 3.24Å; R121-P126 PolarHBondContact NH1-O 3.14Å; R121-I129 PolarHBondContact NH2-O 3.37Å
122	K	82.7	Confident	84.6	Confident	79 Å²	79	41.4 Å²	41.4	34%	0.343	23%	0.226	S	C	.	.			trans	-71.6	-22.4	171.1	-76.3	-170.6	169.4	-166.8	0	111.7	G49 H117 N120	G49-K122 PolarHBondContact O-NZ 3.39Å; H117-K122 VanDerWaalsContact CD2-CD 3.49Å; H117-K122 WeakPolarHBondContact CD2-CD 3.07Å; H117-K122 PolarHBondContact O-N 3.32Å; H117-K122 VanDerWaalsContact O-N 3.07Å; N120-K122 HydrophobicContact CB-CG 4.37Å; N120-K122 PolarHBondContact O-N 2.85Å
123	L	81.7	Confident	84.9	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-94.6	147.7	168	-61.2	175.4	0	0	0	109.3	V54 V75 F78 L93 L114 H117 I118 R121 I125	V54-L123 HydrophobicContact CG1-CD2 3.92Å; V75-L123 HydrophobicContact CG1-CD2 4.4Å; V75-L123 HydrophobicContact CG2-CB 4.35Å; F78-L123 HydrophobicContact CB-CD2 4.07Å; F78-L123 HydrophobicContact CD2-CD1 4.43Å; F78-L123 HydrophobicContact CD2-CD2 3.7Å; F78-L123 HydrophobicContact CE2-CD1 4.23Å; F78-L123 HydrophobicContact CE2-CD2 4.31Å; F78-L123 HydrophobicContact CG-CD2 3.89Å; L93-L123 HydrophobicContact CD2-CD1 4.36Å; L114-L123 HydrophobicContact CD1-CD1 4.08Å; H117-L123 HydrophobicContact CB-CD1 4.47Å; H117-L123 HydrophobicContact CB-CG 4.41Å; I118-L123 HydrophobicContact CG1-CD1 3.89Å; R121-L123 CarbonylContact C-O 3.48Å; R121-L123 PolarHBondContact O-N 3.24Å; L123-I125 VanDerWaalsContact C-N 3.33Å; L123-I125 PolarHBondContact O-N 3Å
124	D	79	Confident	84.8	Confident	48 Å²	48	39.3 Å²	39.3	26%	0.257	21%	0.211	S	C	.	.			trans	-66.1	84.7	-179.2	-73.9	-10.3	0	0	0	112.6	Q56 K59 M67	Q56-D124 VanDerWaalsContact NE2-CG 3.26Å; Q56-D124 PolarHBondContact NE2-OD1 3.5Å; K59-D124 HydrophobicContact CD-CB 4.49Å; M67-D124 WeakPolarHBondContact CE-O 3.27Å
125	I	82.8	Confident	84.1	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.077	23%	0.23	C	C	.	.			trans	-103.3	130.8	177.4	-61.2	159.6	0	0	0	109.1	I73 I118 R121 L123 I129 V131	I73-I125 HydrophobicContact CD1-CG2 4.16Å; I73-I125 HydrophobicContact CG1-CG2 4.33Å; I73-I125 HydrophobicContact CG2-CG1 4.22Å; I118-I125 HydrophobicContact CB-CD1 4.06Å; I118-I125 HydrophobicContact CG2-CD1 3.47Å; I118-I125 VanDerWaalsContact CG2-CD1 3.47Å; I118-I125 WeakPolarHBondContact O-CD1 3.45Å; R121-I125 PolarHBondContact NH1-O 3.24Å; L123-I125 VanDerWaalsContact C-N 3.33Å; L123-I125 PolarHBondContact O-N 3Å; I125-I129 HydrophobicContact CG2-CB 4.36Å; I125-I129 HydrophobicContact CG2-CG2 4.5Å; I125-V131 HydrophobicContact CG2-CG2 4.14Å
126	P	82	Confident	83	Confident	5 Å²	5	47 Å²	47	3%	0.032	25%	0.247	C	C	.	.			trans	-49	139.3	175.2	-28	33.8	0	0	0	113.9	M67 R121 N128 I129	M67-P126 HydrophobicContact CB-CG 4.45Å; M67-P126 HydrophobicContact CE-CG 3.66Å; R121-P126 PolarHBondContact NH1-O 3.14Å; P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 WeakPolarHBondContact CB-OD1 3.47Å; P126-N128 PolarHBondContact O-N 3.36Å; P126-I129 HydrophobicContact CB-CD1 3.91Å; P126-I129 HydrophobicContact CB-CG1 4.1Å; P126-I129 HydrophobicContact CG-CD1 3.84Å; P126-I129 PolarHBondContact O-N 2.84Å
127	A	78.6	Confident	81.9	Confident	86 Å²	86	51.5 Å²	51.5	71%	0.711	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-28	-175.1	0	0	0	0	0	113.5	I129	A127-I129 VanDerWaalsContact C-N 3.25Å; A127-I129 PolarHBondContact O-N 3.31Å
128	N	81.5	Confident	81	Confident	76 Å²	76	53.2 Å²	53.2	41%	0.406	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.4	175.3	62.6	-34.1	0	0	0	113.6	E68 V70 P126 D130	E68-N128 PolarHBondContact O-ND2 3.23Å; V70-N128 PolarHBondContact O-ND2 3.03Å; P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 WeakPolarHBondContact CB-OD1 3.47Å; P126-N128 PolarHBondContact O-N 3.36Å; N128-D130 PolarHBondContact O-N 3.03Å
129	I	82.8	Confident	80.1	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.051	32%	0.318	C	S	.	.	S	Bend	trans	-86.6	105.3	178.3	-60.8	175.6	0	0	0	108.1	Q71 I73 R121 I125 P126 A127 V131 T240 L241	Q71-I129 WeakPolarHBondContact O-CD1 3.25Å; I73-I129 HydrophobicContact CD1-CD1 4.22Å; I73-I129 HydrophobicContact CD1-CG2 4.28Å; I73-I129 HydrophobicContact CG1-CD1 3.5Å; R121-I129 PolarHBondContact NH2-O 3.37Å; I125-I129 HydrophobicContact CG2-CB 4.36Å; I125-I129 HydrophobicContact CG2-CG2 4.5Å; P126-I129 HydrophobicContact CB-CD1 3.91Å; P126-I129 HydrophobicContact CB-CG1 4.1Å; P126-I129 HydrophobicContact CG-CD1 3.84Å; P126-I129 PolarHBondContact O-N 2.84Å; A127-I129 VanDerWaalsContact C-N 3.25Å; A127-I129 PolarHBondContact O-N 3.31Å; I129-V131 HydrophobicContact CG2-CG2 4.01Å; I129-V131 PolarHBondContact O-N 3.09Å; I129-T240 WeakPolarHBondContact CA-OG1 3.45Å; I129-T240 VanDerWaalsContact CG2-OG1 3.26Å; I129-T240 WeakPolarHBondContact CG2-OG1 3.45Å; I129-L241 HydrophobicContact CG2-CB 4.03Å
130	D	86.5	Confident	79	Confident	95 Å²	95	64.5 Å²	64.5	51%	0.508	33%	0.331	S	S	.	.			trans	-69.9	122.7	167.3	-172.1	18.9	0	0	0	110.6	N128 T240 L241	N128-D130 PolarHBondContact O-N 3.03Å; D130-T240 HydrophobicContact CB-CG2 4.31Å; D130-T240 PolarHBondContact N-OG1 2.92Å; D130-T240 PolarHBondContact O-N 2.95Å; D130-T240 PolarHBondContact O-OG1 2.87Å; D130-L241 PolarHBondContact O-N 2.99Å
131	V	88.6	Confident	78.4	Confident	21 Å²	21	61.5 Å²	61.5	13%	0.127	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122	-174.3	178.8	0	0	0	0	108.1	I118 I125 I129 L241 M243	I118-V131 HydrophobicContact CG2-CG1 4.29Å; I125-V131 HydrophobicContact CG2-CG2 4.14Å; I129-V131 HydrophobicContact CG2-CG2 4.01Å; I129-V131 PolarHBondContact O-N 3.09Å; V131-L241 HydrophobicContact CG1-CD2 4.12Å; V131-L241 HydrophobicContact CG2-CB 4.32Å; V131-L241 HydrophobicContact CG2-CD2 4.1Å; V131-M243 HydrophobicContact CG1-CE 3.57Å; V131-M243 HydrophobicContact CG1-SD 4.39Å
132	L	89.4	Confident	78.2	Confident	39 Å²	39	63.8 Å²	63.8	20%	0.204	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.5	171.2	-167.6	62.3	0	0	0	109.9	A234 L237 P239 L241 L242 M243	L132-A234 HydrophobicContact CD2-CB 3.79Å; L132-L237 HydrophobicContact CD1-CD1 4.43Å; L132-L237 HydrophobicContact CD2-CB 4.16Å; L132-L237 HydrophobicContact CD2-CD1 3.73Å; L132-P239 HydrophobicContact CB-CB 3.75Å; L132-P239 HydrophobicContact CB-CG 3.59Å; L132-P239 HydrophobicContact CD2-CG 4.18Å; L132-L241 PolarHBondContact N-O 2.99Å; L132-L242 HydrophobicContact CB-CD1 4.47Å; L132-L242 HydrophobicContact CD2-CD1 4.44Å; L132-M243 PolarHBondContact O-N 3.05Å
133	Y	89.3	Confident	78.3	Confident	23 Å²	23	63 Å²	63	9%	0.09	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.7	171.5	177.4	-128.3	0	0	0	109.3	L115 K116 A119 E135 M243 D245	L115-Y133 HydrophobicContact CB-CD2 4.07Å; L115-Y133 HydrophobicContact CB-CE2 3.71Å; L115-Y133 HydrophobicContact CD1-CD2 4.44Å; L115-Y133 HydrophobicContact CD1-CE2 3.8Å; L115-Y133 HydrophobicContact CG-CE2 4.42Å; K116-Y133 HydrophobicContact CG-CD1 4.45Å; K116-Y133 HydrophobicContact CG-CE1 3.72Å; A119-Y133 HydrophobicContact CB-CD1 4.13Å; A119-Y133 HydrophobicContact CB-CG 4Å; Y133-E135 HydrophobicContact CD1-CG 3.57Å; Y133-E135 WeakPolarHBondContact CD1-OE1 3.05Å; Y133-E135 HydrophobicContact CE1-CB 4.23Å; Y133-E135 HydrophobicContact CE1-CG 3.58Å; Y133-E135 WeakPolarHBondContact CE1-OE1 3.45Å; Y133-E135 PolarHBondContact O-N 2.98Å; Y133-M243 HydrophobicContact CD2-CB 4.1Å; Y133-M243 HydrophobicContact CD2-CE 4.26Å; Y133-M243 HydrophobicContact CG-CE 4.29Å; Y133-D245 HydrophobicContact CE2-CB 3.92Å; Y133-D245 PolarHBondContact OH-OD2 3.21Å
134	C	84.2	Confident	78.7	Confident	11 Å²	11	63.5 Å²	63.5	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	99.7	171.6	-173.2	0	0	0	0	108.6	A234 M243 L244	C134-A234 HydrophobicContact CB-CB 4.12Å; C134-M243 PolarHBondContact N-O 3.48Å; C134-L244 HydrophobicContact CB-CD2 3.63Å
135	E	72.9	Confident	79	Confident	92 Å²	92	61.2 Å²	61.2	43%	0.43	32%	0.318	S	S	.	.			trans	-70.8	151.7	174.2	-45.4	-148.6	138.6	0	0	110.9	Y133	Y133-E135 HydrophobicContact CD1-CG 3.57Å; Y133-E135 WeakPolarHBondContact CD1-OE1 3.05Å; Y133-E135 HydrophobicContact CE1-CB 4.23Å; Y133-E135 HydrophobicContact CE1-CG 3.58Å; Y133-E135 WeakPolarHBondContact CE1-OE1 3.45Å; Y133-E135 PolarHBondContact O-N 2.98Å
136	Q	65.3	Low	79.3	Confident	73 Å²	73	60.8 Å²	60.8	34%	0.341	32%	0.316	S	S	.	.	S	Bend	trans	-71.8	-30.7	179.6	-70.8	178	-12.5	0	0	112.5	M227 D245	Q136-M227 HydrophobicContact CB-SD 4.11Å; Q136-M227 HydrophobicContact CG-SD 4.16Å; Q136-D245 PolarHBondContact NE2-O 3.33Å; Q136-D245 VanDerWaalsContact NE2-O 3.1Å
137	E	65.2	Low	79.6	Confident	157 Å²	157	64.3 Å²	64.3	73%	0.734	33%	0.332	S	S	*	.			trans	-111.3	129.2	-178.9	-66.7	173.9	-173.2	0	0	109.4
138	I	66	Low	80	Confident	45 Å²	45	61.1 Å²	61.1	23%	0.231	30%	0.304	C	S	.	.			trans	-114.7	144.6	170.9	-38.2	176.6	0	0	0	108.7	R226 S230	I138-R226 VanDerWaalsContact CD1-O 3.24Å; I138-R226 WeakPolarHBondContact CD1-O 3.46Å; I138-S230 VanDerWaalsContact CD1-N 3.31Å; I138-S230 WeakPolarHBondContact CD1-OG 3.28Å
139	E	67.8	Low	80.4	Confident	180 Å²	180	57.5 Å²	57.5	84%	0.841	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-53.3	150.6	161.8	-62	-178	170	0	0	112.2	D141	E139-D141 PolarHBondContact O-N 3.44Å
140	V	64.1	Low	80.6	Confident	85 Å²	85	58.2 Å²	58.2	52%	0.515	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-78.9	116.7	-176.9	-172.6	0	0	0	0	109.2	N219 R226	V140-N219 HydrophobicContact CG1-CB 3.23Å; V140-R226 VanDerWaalsContact CG2-NH1 3.26Å
141	D	72.5	Confident	80.6	Confident	48 Å²	48	59.2 Å²	59.2	26%	0.257	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-103.3	139.5	170.5	-160.9	-18.7	0	0	0	109.8	E139 K143 V148 S218 N219	E139-D141 PolarHBondContact O-N 3.44Å; D141-K143 PolarHBondContact O-N 3.21Å; D141-K143 WeakPolarHBondContact OD1-CG 3.39Å; D141-K143 PolarHBondContact OD1-N 2.88Å; D141-K143 VanDerWaalsContact OD1-N 3.17Å; D141-K143 IonicContact OD1-NZ 3.86Å; D141-K143 PolarHBondContact OD1-NZ 2.88Å; D141-K143 IonicContact OD2-NZ 3.32Å; D141-K143 PolarHBondContact OD2-NZ 3.32Å; D141-V148 HydrophobicContact CB-CG2 4.06Å; D141-S218 CarbonylContact O-C 3.42Å; D141-S218 WeakPolarHBondContact O-CB 3.24Å; D141-N219 PolarHBondContact O-N 2.8Å
142	E	79.5	Confident	80.4	Confident	152 Å²	152	59.3 Å²	59.3	71%	0.71	29%	0.288	S	S	*	.	S	Bend	trans	-77.8	-11.6	176.7	-60	-175.8	163.8	0	0	112.2	P217	E142-P217 WeakPolarHBondContact O-CB 3.4Å
143	K	86	Confident	80.2	Confident	63 Å²	63	59.1 Å²	59.1	27%	0.274	29%	0.287	S	S	.	.	S	Bend	trans	-81.4	164	-176.4	-62.2	-176.6	-146.5	75.2	0	113.7	D141 E147 V148 R151 S218	D141-K143 PolarHBondContact O-N 3.21Å; D141-K143 WeakPolarHBondContact OD1-CG 3.39Å; D141-K143 PolarHBondContact OD1-N 2.88Å; D141-K143 VanDerWaalsContact OD1-N 3.17Å; D141-K143 IonicContact OD1-NZ 3.86Å; D141-K143 PolarHBondContact OD1-NZ 2.88Å; D141-K143 IonicContact OD2-NZ 3.32Å; D141-K143 PolarHBondContact OD2-NZ 3.32Å; K143-E147 HydrophobicContact CB-CB 4.25Å; K143-V148 HydrophobicContact CB-CG2 4.16Å; K143-R151 VanDerWaalsContact CE-NH1 3.25Å; K143-S218 VanDerWaalsContact O-CB 3.23Å; K143-S218 WeakPolarHBondContact O-CB 3.19Å; K143-S218 PolarHBondContact O-N 3.45Å; K143-S218 PolarHBondContact O-OG 2.83Å
144	S	88.2	Confident	80	Confident	9 Å²	9	62 Å²	62	6%	0.063	31%	0.307	C	S	.	.			trans	-67.2	148.2	176.1	70.2	0	0	0	0	112.4	V146 E147 V148 Q214 R216	S144-V146 PolarHBondContact O-N 3.41Å; S144-E147 WeakPolarHBondContact O-CB 3.38Å; S144-E147 PolarHBondContact O-N 2.94Å; S144-E147 WeakPolarHBondContact OG-CB 3.38Å; S144-E147 VanDerWaalsContact OG-CG 3.32Å; S144-E147 WeakPolarHBondContact OG-CG 3.31Å; S144-E147 PolarHBondContact OG-N 3.45Å; S144-E147 PolarHBondContact OG-OE1 2.79Å; S144-V148 WeakPolarHBondContact O-CG2 3.12Å; S144-V148 PolarHBondContact O-N 3.21Å; S144-Q214 WeakPolarHBondContact CB-O 3.4Å; S144-R216 WeakPolarHBondContact CA-O 3.45Å
145	P	86.5	Confident	79.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-51.7	-38.8	177.5	-30.1	31.4	0	0	0	113.9	V148 V149 L204 F209 Q214 R216 F221 I229	P145-V148 PolarHBondContact O-N 3.19Å; P145-V149 VanDerWaalsContact O-CG2 3.3Å; P145-V149 WeakPolarHBondContact O-CG2 3.1Å; P145-V149 PolarHBondContact O-N 3.42Å; P145-L204 HydrophobicContact CB-CD1 4.09Å; P145-L204 HydrophobicContact CB-CD2 4.01Å; P145-F209 HydrophobicContact CB-CD1 4.42Å; P145-F209 HydrophobicContact CB-CE1 4.22Å; P145-F209 HydrophobicContact CG-CD1 4.21Å; P145-F209 HydrophobicContact CG-CE1 3.94Å; P145-Q214 WeakPolarHBondContact CD-O 3.41Å; P145-R216 WeakPolarHBondContact CD-O 3.44Å; P145-F221 HydrophobicContact CG-CD2 4.29Å; P145-F221 HydrophobicContact CG-CE2 3.56Å; P145-F221 HydrophobicContact CG-CZ 4.33Å; P145-I229 HydrophobicContact CB-CD1 4.06Å; P145-I229 HydrophobicContact CB-CG1 4.2Å; P145-I229 HydrophobicContact CG-CD1 3.83Å; P145-I229 HydrophobicContact CG-CG1 4.4Å
146	V	89.2	Confident	80.5	Confident	6 Å²	6	63.9 Å²	63.9	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-46.9	177.5	175.4	0	0	0	0	110.5	S144 V149 L150 E197 R201 L204 Q214	S144-V146 PolarHBondContact O-N 3.41Å; V146-V149 PolarHBondContact O-N 2.92Å; V146-L150 HydrophobicContact CG1-CD1 3.88Å; V146-L150 HydrophobicContact CG1-CG 4.45Å; V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.44Å; V146-L150 PolarHBondContact O-N 3.01Å; V146-E197 HydrophobicContact CG1-CG 4.31Å; V146-R201 HydrophobicContact CG1-CG 4.36Å; V146-R201 HydrophobicContact CG2-CG 4.05Å; V146-L204 HydrophobicContact CB-CD1 4.3Å; V146-L204 HydrophobicContact CG2-CD1 3.61Å; V146-Q214 HydrophobicContact CG2-CB 3.7Å; V146-Q214 HydrophobicContact CG2-CG 4.2Å
147	E	88.4	Confident	81.4	Confident	79 Å²	79	63.2 Å²	63.2	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-64.5	-41.4	176.9	-75.9	179.1	-131.5	0	0	112.5	K143 S144 V149 L150 R151	K143-E147 HydrophobicContact CB-CB 4.25Å; S144-E147 WeakPolarHBondContact O-CB 3.38Å; S144-E147 PolarHBondContact O-N 2.94Å; S144-E147 WeakPolarHBondContact OG-CB 3.38Å; S144-E147 VanDerWaalsContact OG-CG 3.32Å; S144-E147 WeakPolarHBondContact OG-CG 3.31Å; S144-E147 PolarHBondContact OG-N 3.45Å; S144-E147 PolarHBondContact OG-OE1 2.79Å; E147-V149 VanDerWaalsContact C-N 3.29Å; E147-V149 PolarHBondContact O-N 3.37Å; E147-L150 PolarHBondContact O-N 2.75Å; E147-R151 VanDerWaalsContact O-CB 3.31Å; E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.48Å; E147-R151 PolarHBondContact O-N 3.48Å; E147-R151 IonicContact OE2-NE 2.69Å; E147-R151 IonicContact OE2-NH2 3.27Å; E147-R151 PolarHBondContact OE2-NH2 2.99Å
148	V	86.7	Confident	82.5	Confident	20 Å²	20	62 Å²	62	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-44.2	177.7	173.2	0	0	0	0	110.6	D141 K143 S144 P145 A152 I229	D141-V148 HydrophobicContact CB-CG2 4.06Å; K143-V148 HydrophobicContact CB-CG2 4.16Å; S144-V148 WeakPolarHBondContact O-CG2 3.12Å; S144-V148 PolarHBondContact O-N 3.21Å; P145-V148 PolarHBondContact O-N 3.19Å; V148-A152 PolarHBondContact O-N 3.4Å; V148-I229 HydrophobicContact CB-CG2 4.11Å; V148-I229 HydrophobicContact CG1-CG2 3.71Å
149	V	88.5	Confident	83.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-45.8	177.5	173.5	0	0	0	0	111.3	P145 V146 E147 R151 A152 A200 L204 A232 F236	P145-V149 VanDerWaalsContact O-CG2 3.3Å; P145-V149 WeakPolarHBondContact O-CG2 3.1Å; P145-V149 PolarHBondContact O-N 3.42Å; V146-V149 PolarHBondContact O-N 2.92Å; E147-V149 VanDerWaalsContact C-N 3.29Å; E147-V149 PolarHBondContact O-N 3.37Å; V149-R151 VanDerWaalsContact C-N 3.34Å; V149-R151 PolarHBondContact O-N 3.21Å; V149-A152 WeakPolarHBondContact O-CB 3.47Å; V149-A152 PolarHBondContact O-N 2.99Å; V149-A200 HydrophobicContact CB-CB 4.33Å; V149-A200 HydrophobicContact CG1-CB 3.75Å; V149-L204 HydrophobicContact CG2-CD1 4.35Å; V149-L204 HydrophobicContact CG2-CD2 4.29Å; V149-L204 HydrophobicContact CG2-CG 4.45Å; V149-A232 HydrophobicContact CG2-CB 3.81Å; V149-F236 HydrophobicContact CG1-CB 3.47Å; V149-F236 VanDerWaalsContact CG1-CB 3.47Å; V149-F236 HydrophobicContact CG1-CD1 3.79Å; V149-F236 HydrophobicContact CG1-CD2 3.92Å; V149-F236 HydrophobicContact CG1-CG 3.44Å; V149-F236 VanDerWaalsContact CG1-CG 3.44Å; V149-F236 WeakPolarHBondContact O-CD1 3.25Å
150	L	88.5	Confident	84.4	Confident	24 Å²	24	55.2 Å²	55.2	13%	0.126	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-34.1	-178.9	-74.7	175.6	0	0	0	113.4	V146 E147 A152 R156 A196 E197 A200 F236	V146-L150 HydrophobicContact CG1-CD1 3.88Å; V146-L150 HydrophobicContact CG1-CG 4.45Å; V146-L150 WeakPolarHBondContact O-CB 3.33Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.44Å; V146-L150 PolarHBondContact O-N 3.01Å; E147-L150 PolarHBondContact O-N 2.75Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-R156 PolarHBondContact O-NH2 3.3Å; L150-A196 HydrophobicContact CD2-CB 3.8Å; L150-E197 HydrophobicContact CD1-CB 4.06Å; L150-E197 HydrophobicContact CD1-CG 4.28Å; L150-E197 HydrophobicContact CD2-CB 4.45Å; L150-A200 HydrophobicContact CD2-CB 4.15Å; L150-A200 HydrophobicContact CG-CB 4.29Å; L150-F236 HydrophobicContact CD2-CE2 4.43Å; L150-F236 HydrophobicContact CD2-CZ 4.03Å
151	R	85.7	Confident	85.5	Confident	116 Å²	116	55.7 Å²	55.7	44%	0.438	27%	0.27	S	S	.	.	H	α-helix	trans	-78.2	-19	-179.9	-71.3	178.7	-174.1	-131	8.4	113.5	K143 E147 V149 D153 L157	K143-R151 VanDerWaalsContact CE-NH1 3.25Å; E147-R151 VanDerWaalsContact O-CB 3.31Å; E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.48Å; E147-R151 PolarHBondContact O-N 3.48Å; E147-R151 IonicContact OE2-NE 2.69Å; E147-R151 IonicContact OE2-NH2 3.27Å; E147-R151 PolarHBondContact OE2-NH2 2.99Å; V149-R151 VanDerWaalsContact C-N 3.34Å; V149-R151 PolarHBondContact O-N 3.21Å; R151-D153 PolarHBondContact O-N 3.1Å; R151-L157 HydrophobicContact CB-CD1 3.92Å; R151-L157 HydrophobicContact CG-CD1 4.02Å; R151-L157 HydrophobicContact CG-CD2 4.44Å; R151-L157 WeakPolarHBondContact O-CD1 3.43Å
152	A	84.2	Confident	86.2	Confident	24 Å²	24	59.2 Å²	59.2	20%	0.198	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.3	176.5	0	0	0	0	0	112.6	V148 V149 L150 T154 R233 L237	V148-A152 PolarHBondContact O-N 3.4Å; V149-A152 WeakPolarHBondContact O-CB 3.47Å; V149-A152 PolarHBondContact O-N 2.99Å; L150-A152 VanDerWaalsContact C-N 3.32Å; A152-T154 VanDerWaalsContact C-N 3.3Å; A152-T154 PolarHBondContact O-N 3Å; A152-T154 VanDerWaalsContact O-N 3.08Å; A152-R233 VanDerWaalsContact CB-CD 3.46Å; A152-R233 HydrophobicContact CB-CG 3.3Å; A152-L237 HydrophobicContact CB-CD1 4.1Å; A152-L237 HydrophobicContact CB-CD2 4.42Å; A152-L237 HydrophobicContact CB-CG 4.33Å
153	D	85.3	Confident	86.5	Confident	34 Å²	34	54.2 Å²	54.2	18%	0.182	26%	0.256	C	S	.	.			trans	-80.7	80.4	169	-169.6	-11.3	0	0	0	109.9	R151 K155 R156 L157 F236 L237	R151-D153 PolarHBondContact O-N 3.1Å; D153-K155 VanDerWaalsContact C-N 3.29Å; D153-K155 PolarHBondContact O-N 2.82Å; D153-R156 HydrophobicContact CB-CB 3.95Å; D153-R156 PolarHBondContact O-N 3.18Å; D153-R156 WeakPolarHBondContact OD1-CB 3.34Å; D153-R156 PolarHBondContact OD1-N 2.79Å; D153-R156 VanDerWaalsContact OD2-CB 3.29Å; D153-R156 WeakPolarHBondContact OD2-CB 3.32Å; D153-L157 PolarHBondContact O-N 3.21Å; D153-L157 VanDerWaalsContact O-N 3.13Å; D153-F236 HydrophobicContact CB-CE1 4.11Å; D153-L237 HydrophobicContact CB-CD2 3.97Å
154	T	84.5	Confident	86.6	Confident	83 Å²	83	56.8 Å²	56.8	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-40.3	-178.7	53.5	0	0	0	0	111.8	A152 R156 L157 E158	A152-T154 VanDerWaalsContact C-N 3.3Å; A152-T154 PolarHBondContact O-N 3Å; A152-T154 VanDerWaalsContact O-N 3.08Å; T154-R156 PolarHBondContact O-N 2.78Å; T154-L157 WeakPolarHBondContact O-CB 3.35Å; T154-L157 PolarHBondContact O-N 3.4Å; T154-L157 VanDerWaalsContact O-N 3.17Å; T154-E158 WeakPolarHBondContact O-CG 3.42Å; T154-E158 PolarHBondContact O-N 3.05Å
155	K	82.9	Confident	86.7	Confident	123 Å²	123	61 Å²	61	54%	0.535	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-41.8	178.8	-68.1	-178.1	179.4	176.7	0	111.6	D153 L157 E158 L159	D153-K155 VanDerWaalsContact C-N 3.29Å; D153-K155 PolarHBondContact O-N 2.82Å; K155-L157 VanDerWaalsContact C-N 3.35Å; K155-E158 PolarHBondContact O-N 2.97Å; K155-L159 WeakPolarHBondContact O-CB 3.29Å; K155-L159 VanDerWaalsContact O-CG 3.3Å; K155-L159 WeakPolarHBondContact O-CG 3.44Å; K155-L159 PolarHBondContact O-N 3.28Å
156	R	84.7	Confident	86.8	Confident	21 Å²	21	61.1 Å²	61.1	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-40.6	174.2	-175.9	-164.6	71.9	80	7.5	111.9	L150 D153 T154 L159 M160 L188	L150-R156 PolarHBondContact O-NH2 3.3Å; D153-R156 HydrophobicContact CB-CB 3.95Å; D153-R156 PolarHBondContact O-N 3.18Å; D153-R156 WeakPolarHBondContact OD1-CB 3.34Å; D153-R156 PolarHBondContact OD1-N 2.79Å; D153-R156 VanDerWaalsContact OD2-CB 3.29Å; D153-R156 WeakPolarHBondContact OD2-CB 3.32Å; T154-R156 PolarHBondContact O-N 2.78Å; R156-L159 PolarHBondContact O-N 3.15Å; R156-M160 PolarHBondContact NH1-SD 2.92Å; R156-M160 WeakPolarHBondContact O-CG 3.29Å; R156-M160 PolarHBondContact O-N 3.06Å; R156-L188 HydrophobicContact CG-CD2 4.43Å
157	L	85.8	Confident	86.6	Confident	59 Å²	59	65.1 Å²	65.1	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-46.4	174.3	-69.4	179	0	0	0	111.9	R151 D153 T154 K155 L159 M160 E161	R151-L157 HydrophobicContact CB-CD1 3.92Å; R151-L157 HydrophobicContact CG-CD1 4.02Å; R151-L157 HydrophobicContact CG-CD2 4.44Å; R151-L157 WeakPolarHBondContact O-CD1 3.43Å; D153-L157 PolarHBondContact O-N 3.21Å; D153-L157 VanDerWaalsContact O-N 3.13Å; T154-L157 WeakPolarHBondContact O-CB 3.35Å; T154-L157 PolarHBondContact O-N 3.4Å; T154-L157 VanDerWaalsContact O-N 3.17Å; K155-L157 VanDerWaalsContact C-N 3.35Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.41Å; L157-M160 HydrophobicContact CD2-CE 3.65Å; L157-M160 PolarHBondContact O-N 2.89Å; L157-E161 PolarHBondContact O-N 2.79Å
158	E	87.7	Confident	86.6	Confident	130 Å²	130	65.7 Å²	65.7	61%	0.607	31%	0.312	S	S	*	.	H	α-helix	trans	-59.7	-43	177.7	-73	168.4	-171.5	0	0	111.7	T154 K155 E161 R162	T154-E158 WeakPolarHBondContact O-CG 3.42Å; T154-E158 PolarHBondContact O-N 3.05Å; K155-E158 PolarHBondContact O-N 2.97Å; E158-E161 PolarHBondContact O-N 3.03Å; E158-R162 VanDerWaalsContact O-CB 3.31Å; E158-R162 WeakPolarHBondContact O-CB 3.27Å; E158-R162 PolarHBondContact O-N 3.24Å
159	L	86.8	Confident	86.6	Confident	20 Å²	20	69.5 Å²	69.5	11%	0.105	32%	0.324	C	S	.	.	H	α-helix	trans	-65.6	-41.6	177.6	-73.1	170.1	0	0	0	112.5	K155 R156 L157 R162 E163 V184 E187 L188	K155-L159 WeakPolarHBondContact O-CB 3.29Å; K155-L159 VanDerWaalsContact O-CG 3.3Å; K155-L159 WeakPolarHBondContact O-CG 3.44Å; K155-L159 PolarHBondContact O-N 3.28Å; R156-L159 PolarHBondContact O-N 3.15Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.41Å; L159-R162 PolarHBondContact O-N 2.95Å; L159-E163 WeakPolarHBondContact O-CB 3.46Å; L159-E163 PolarHBondContact O-N 2.79Å; L159-V184 HydrophobicContact CB-CG1 4.46Å; L159-V184 HydrophobicContact CD2-CG1 4.2Å; L159-V184 WeakPolarHBondContact O-CG1 3.43Å; L159-E187 HydrophobicContact CD1-CG 3.97Å; L159-L188 HydrophobicContact CB-CD1 4.4Å; L159-L188 HydrophobicContact CB-CD2 3.55Å; L159-L188 HydrophobicContact CB-CG 3.9Å; L159-L188 HydrophobicContact CD1-CD2 4.31Å
160	M	85.9	Confident	86.4	Confident	64 Å²	64	71.4 Å²	71.4	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-66.3	-39.9	176.3	-72.5	-173.2	-52.7	0	0	112.4	R156 L157 R162 E163 K164 L188	R156-M160 PolarHBondContact NH1-SD 2.92Å; R156-M160 WeakPolarHBondContact O-CG 3.29Å; R156-M160 PolarHBondContact O-N 3.06Å; L157-M160 HydrophobicContact CD2-CE 3.65Å; L157-M160 PolarHBondContact O-N 2.89Å; M160-R162 VanDerWaalsContact C-N 3.32Å; M160-E163 PolarHBondContact O-N 3.13Å; M160-K164 PolarHBondContact O-N 3.32Å; M160-L188 HydrophobicContact CG-CD1 4.37Å; M160-L188 HydrophobicContact CG-CD2 3.91Å
161	E	89	Confident	86.3	Confident	95 Å²	95	75.8 Å²	75.8	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-39.7	175.7	-177.8	57.5	-151.8	0	0	110.6	L157 E158 K164 Q165	L157-E161 PolarHBondContact O-N 2.79Å; E158-E161 PolarHBondContact O-N 3.03Å; E161-K164 PolarHBondContact O-N 3.41Å; E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.3Å; E161-Q165 PolarHBondContact O-N 2.92Å; E161-Q165 PolarHBondContact OE1-NE2 3.43Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.08Å
162	R	86	Confident	86.4	Confident	122 Å²	122	77.2 Å²	77.2	46%	0.46	38%	0.38	S	S	.	.	H	α-helix	trans	-66.6	-39.3	174.5	-171.7	158.4	-177.4	113.2	2.1	112.4	E158 L159 M160 K164 Q165 L166 E180 V184	E158-R162 VanDerWaalsContact O-CB 3.31Å; E158-R162 WeakPolarHBondContact O-CB 3.27Å; E158-R162 PolarHBondContact O-N 3.24Å; L159-R162 PolarHBondContact O-N 2.95Å; M160-R162 VanDerWaalsContact C-N 3.32Å; R162-K164 VanDerWaalsContact C-N 3.35Å; R162-Q165 PolarHBondContact O-N 3.5Å; R162-L166 HydrophobicContact CG-CD1 3.91Å; R162-L166 HydrophobicContact CG-CG 4.34Å; R162-L166 WeakPolarHBondContact O-CB 3.34Å; R162-L166 VanDerWaalsContact O-CG 3.24Å; R162-L166 WeakPolarHBondContact O-CG 3.3Å; R162-L166 PolarHBondContact O-N 2.99Å; R162-E180 IonicContact CZ-OE2 3.6Å; R162-E180 IonicContact NH2-OE2 3.11Å; R162-E180 PolarHBondContact NH2-OE2 3.2Å; R162-V184 HydrophobicContact CG-CG2 4.4Å
163	E	85.7	Confident	86.3	Confident	46 Å²	46	78.9 Å²	78.9	22%	0.215	40%	0.399	C	S	.	.	H	α-helix	trans	-58.6	-47.3	174.1	-170.7	-174.1	-139.1	0	0	110.6	L159 M160 L166 M167 L181 V184 S185 L188	L159-E163 WeakPolarHBondContact O-CB 3.46Å; L159-E163 PolarHBondContact O-N 2.79Å; M160-E163 PolarHBondContact O-N 3.13Å; E163-L166 PolarHBondContact O-N 2.88Å; E163-M167 HydrophobicContact CG-CE 3.62Å; E163-M167 WeakPolarHBondContact O-CG 3.35Å; E163-M167 PolarHBondContact O-N 3.4Å; E163-L181 HydrophobicContact CG-CD1 3.67Å; E163-V184 HydrophobicContact CB-CG1 3.89Å; E163-S185 PolarHBondContact OE1-OG 3.24Å; E163-L188 HydrophobicContact CB-CD1 3.97Å; E163-L188 HydrophobicContact CG-CD1 4.21Å; E163-L188 WeakPolarHBondContact OE2-CD1 3.39Å
164	K	88.9	Confident	86.2	Confident	118 Å²	118	79.6 Å²	79.6	51%	0.513	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-47.3	176.7	-174.7	-175.3	173.3	-168.1	0	112.2	M160 E161 R162 L166 M167 D168	M160-K164 PolarHBondContact O-N 3.32Å; E161-K164 PolarHBondContact O-N 3.41Å; R162-K164 VanDerWaalsContact C-N 3.35Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 2.78Å; K164-M167 PolarHBondContact O-N 2.84Å; K164-D168 PolarHBondContact O-N 2.89Å
165	Q	89.8	Confident	86	Confident	96 Å²	96	82.3 Å²	82.3	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-37.5	177.6	-71.4	172.4	13.7	0	0	112.4	E161 R162 R169	E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.3Å; E161-Q165 PolarHBondContact O-N 2.92Å; E161-Q165 PolarHBondContact OE1-NE2 3.43Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.08Å; R162-Q165 PolarHBondContact O-N 3.5Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.99Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	L	88	Confident	85.8	Confident	3 Å²	3	82.3 Å²	82.3	2%	0.016	42%	0.419	C	S	.	.	H	α-helix	trans	-70.1	-39.5	175.7	-72.6	168.6	0	0	0	111.5	R162 E163 K164 D168 R169 V170 A177 E180 L181 V184	R162-L166 HydrophobicContact CG-CD1 3.91Å; R162-L166 HydrophobicContact CG-CG 4.34Å; R162-L166 WeakPolarHBondContact O-CB 3.34Å; R162-L166 VanDerWaalsContact O-CG 3.24Å; R162-L166 WeakPolarHBondContact O-CG 3.3Å; R162-L166 PolarHBondContact O-N 2.99Å; E163-L166 PolarHBondContact O-N 2.88Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 2.78Å; L166-D168 VanDerWaalsContact C-N 3.33Å; L166-D168 PolarHBondContact O-N 2.86Å; L166-R169 PolarHBondContact O-N 2.94Å; L166-V170 WeakPolarHBondContact O-CB 3.28Å; L166-V170 VanDerWaalsContact O-CG2 3.26Å; L166-V170 WeakPolarHBondContact O-CG2 3.31Å; L166-V170 PolarHBondContact O-N 2.82Å; L166-A177 HydrophobicContact CD2-CB 4.06Å; L166-E180 HydrophobicContact CD1-CB 3.89Å; L166-E180 HydrophobicContact CD2-CB 3.85Å; L166-L181 HydrophobicContact CB-CB 4.1Å; L166-L181 HydrophobicContact CB-CD1 3.9Å; L166-V184 HydrophobicContact CD1-CB 4.4Å; L166-V184 HydrophobicContact CD1-CG2 3.9Å
167	M	85.5	Confident	85.7	Confident	90 Å²	90	81.3 Å²	81.3	44%	0.443	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-41.9	172.9	-76.5	-164.4	-127	0	0	112.4	E163 K164 V170 T171 L181	E163-M167 HydrophobicContact CG-CE 3.62Å; E163-M167 WeakPolarHBondContact O-CG 3.35Å; E163-M167 PolarHBondContact O-N 3.4Å; K164-M167 PolarHBondContact O-N 2.84Å; M167-V170 PolarHBondContact O-N 3.37Å; M167-T171 WeakPolarHBondContact O-CB 3.26Å; M167-T171 PolarHBondContact O-N 2.7Å; M167-T171 PolarHBondContact O-OG1 2.93Å; M167-L181 HydrophobicContact CG-CD1 3.91Å; M167-L181 HydrophobicContact CG-CD2 3.97Å
168	D	89	Confident	85.5	Confident	91 Å²	91	82 Å²	82	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.7	-68.6	-23.3	0	0	0	110.6	K164 L166 V170 T171 D172	K164-D168 PolarHBondContact O-N 2.89Å; L166-D168 VanDerWaalsContact C-N 3.33Å; L166-D168 PolarHBondContact O-N 2.86Å; D168-V170 PolarHBondContact O-N 2.83Å; D168-T171 WeakPolarHBondContact O-CB 3.41Å; D168-T171 PolarHBondContact O-N 3.09Å; D168-D172 PolarHBondContact O-N 2.91Å
169	R	86.7	Confident	85.4	Confident	101 Å²	101	81.9 Å²	81.9	38%	0.381	42%	0.419	S	S	.	.	H	α-helix	trans	-64	-39.4	176.5	-74.3	175.3	64	-170.2	-0.2	113.8	Q165 L166 T171 D172 G173 D174 A177	Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.99Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; L166-R169 PolarHBondContact O-N 2.94Å; R169-T171 VanDerWaalsContact C-N 3.28Å; R169-D172 PolarHBondContact O-N 3.34Å; R169-G173 PolarHBondContact O-N 3.49Å; R169-D174 HydrophobicContact CB-CB 4.36Å; R169-D174 IonicContact CZ-OD2 3.36Å; R169-D174 IonicContact NE-OD2 3.25Å; R169-D174 PolarHBondContact NE-OD2 3.13Å; R169-D174 IonicContact NH2-OD2 2.68Å; R169-D174 PolarHBondContact NH2-OD2 3.27Å; R169-D174 WeakPolarHBondContact O-CB 3.25Å; R169-D174 PolarHBondContact O-N 3.11Å; R169-D174 VanDerWaalsContact O-N 3.09Å; R169-A177 HydrophobicContact CB-CB 3.9Å
170	V	85.1	Confident	85.3	Confident	40 Å²	40	84.1 Å²	84.1	24%	0.242	43%	0.429	C	S	.	.	H	α-helix	trans	-63	-40.3	174.7	166.3	0	0	0	0	110.2	L166 M167 D168 D172 G173 A177 N178 L181	L166-V170 WeakPolarHBondContact O-CB 3.28Å; L166-V170 VanDerWaalsContact O-CG2 3.26Å; L166-V170 WeakPolarHBondContact O-CG2 3.31Å; L166-V170 PolarHBondContact O-N 2.82Å; M167-V170 PolarHBondContact O-N 3.37Å; D168-V170 PolarHBondContact O-N 2.83Å; V170-D172 VanDerWaalsContact C-N 3.27Å; V170-D172 PolarHBondContact O-N 2.76Å; V170-G173 PolarHBondContact O-N 3.24Å; V170-G173 VanDerWaalsContact O-N 3.07Å; V170-A177 HydrophobicContact CG2-CB 3.73Å; V170-N178 WeakPolarHBondContact CG1-OD1 3.41Å; V170-N178 WeakPolarHBondContact CG2-OD1 3.37Å; V170-L181 HydrophobicContact CG2-CD2 4.16Å
171	T	85.7	Confident	85.3	Confident	116 Å²	116	82.4 Å²	82.4	71%	0.712	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-34.5	176.2	-55.2	0	0	0	0	111.7	M167 D168 R169 G173	M167-T171 WeakPolarHBondContact O-CB 3.26Å; M167-T171 PolarHBondContact O-N 2.7Å; M167-T171 PolarHBondContact O-OG1 2.93Å; D168-T171 WeakPolarHBondContact O-CB 3.41Å; D168-T171 PolarHBondContact O-N 3.09Å; R169-T171 VanDerWaalsContact C-N 3.28Å; T171-G173 PolarHBondContact O-N 2.7Å
172	D	86.9	Confident	85.1	Confident	146 Å²	146	84.2 Å²	84.2	78%	0.781	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.4	174.2	-72.3	-18.9	0	0	0	114.2	D168 R169 V170	D168-D172 PolarHBondContact O-N 2.91Å; R169-D172 PolarHBondContact O-N 3.34Å; V170-D172 VanDerWaalsContact C-N 3.27Å; V170-D172 PolarHBondContact O-N 2.76Å
173	G	83.1	Confident	85.2	Confident	58 Å²	58	84.8 Å²	84.8	60%	0.598	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	13.2	173.1	0	0	0	0	0	115.7	R169 V170 T171 L175	R169-G173 PolarHBondContact O-N 3.49Å; V170-G173 PolarHBondContact O-N 3.24Å; V170-G173 VanDerWaalsContact O-N 3.07Å; T171-G173 PolarHBondContact O-N 2.7Å; G173-L175 PolarHBondContact O-N 2.91Å
174	D	82.7	Confident	85.3	Confident	49 Å²	49	83.2 Å²	83.2	26%	0.262	43%	0.43	S	S	.	.			trans	-78.5	101	175.2	-171.6	-4.2	0	0	0	111.5	R169 L176 A177	R169-D174 HydrophobicContact CB-CB 4.36Å; R169-D174 IonicContact CZ-OD2 3.36Å; R169-D174 IonicContact NE-OD2 3.25Å; R169-D174 PolarHBondContact NE-OD2 3.13Å; R169-D174 IonicContact NH2-OD2 2.68Å; R169-D174 PolarHBondContact NH2-OD2 3.27Å; R169-D174 WeakPolarHBondContact O-CB 3.25Å; R169-D174 PolarHBondContact O-N 3.11Å; R169-D174 VanDerWaalsContact O-N 3.09Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.3Å; D174-L176 PolarHBondContact OD1-N 3.08Å; D174-L176 VanDerWaalsContact OD1-N 3.14Å; D174-A177 HydrophobicContact CB-CB 4.1Å; D174-A177 WeakPolarHBondContact O-CB 3.23Å; D174-A177 PolarHBondContact O-N 2.68Å
175	L	79.7	Confident	85	Confident	140 Å²	140	79.4 Å²	79.4	73%	0.733	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.4	179.9	-70.9	170.7	0	0	0	113.6	G173 A177 N178	G173-L175 PolarHBondContact O-N 2.91Å; L175-A177 VanDerWaalsContact C-N 3.28Å; L175-N178 WeakPolarHBondContact O-CB 3.36Å; L175-N178 PolarHBondContact O-N 3.27Å
176	L	80.1	Confident	84.9	Confident	124 Å²	124	79.2 Å²	79.2	65%	0.649	42%	0.421	S	S	*	.	H	α-helix	trans	-71.2	-28.8	178.3	-68.8	171.4	0	0	0	111.3	D174 N178 E179	D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.3Å; D174-L176 PolarHBondContact OD1-N 3.08Å; D174-L176 VanDerWaalsContact OD1-N 3.14Å; L176-N178 PolarHBondContact O-N 3.05Å; L176-E179 PolarHBondContact O-N 3.47Å
177	A	81	Confident	84.8	Confident	0 Å²	0	83 Å²	83	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-66.6	-21.3	176.7	0	0	0	0	0	112.8	L166 R169 V170 D174 L175 L181	L166-A177 HydrophobicContact CD2-CB 4.06Å; R169-A177 HydrophobicContact CB-CB 3.9Å; V170-A177 HydrophobicContact CG2-CB 3.73Å; D174-A177 HydrophobicContact CB-CB 4.1Å; D174-A177 WeakPolarHBondContact O-CB 3.23Å; D174-A177 PolarHBondContact O-N 2.68Å; L175-A177 VanDerWaalsContact C-N 3.28Å; A177-L181 VanDerWaalsContact O-CB 3.23Å; A177-L181 WeakPolarHBondContact O-CB 3.44Å; A177-L181 PolarHBondContact O-N 2.92Å
178	N	83.3	Confident	84.8	Confident	72 Å²	72	79 Å²	79	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-43.9	176.5	-84.7	-27	0	0	0	112.6	V170 L175 L176 L181 E182	V170-N178 WeakPolarHBondContact CG1-OD1 3.41Å; V170-N178 WeakPolarHBondContact CG2-OD1 3.37Å; L175-N178 WeakPolarHBondContact O-CB 3.36Å; L175-N178 PolarHBondContact O-N 3.27Å; L176-N178 PolarHBondContact O-N 3.05Å; N178-L181 PolarHBondContact O-N 2.94Å; N178-E182 PolarHBondContact O-N 3.21Å
179	E	84.5	Confident	84.6	Confident	129 Å²	129	84 Å²	84	60%	0.603	43%	0.431	S	S	*	.	H	α-helix	trans	-67.1	-40.3	179.9	-66.3	-176.9	176.4	0	0	111.1	L176 Q183	L176-E179 PolarHBondContact O-N 3.47Å; E179-Q183 WeakPolarHBondContact O-CG 3.42Å; E179-Q183 PolarHBondContact O-N 3.18Å
180	E	85.3	Confident	84.4	Confident	67 Å²	67	83.6 Å²	83.6	31%	0.313	45%	0.449	S	S	.	.	H	α-helix	trans	-64.9	-39.6	173.4	-72.5	-169.5	-150.1	0	0	111.9	R162 L166 Q183 V184	R162-E180 IonicContact CZ-OE2 3.6Å; R162-E180 IonicContact NH2-OE2 3.11Å; R162-E180 PolarHBondContact NH2-OE2 3.2Å; L166-E180 HydrophobicContact CD1-CB 3.89Å; L166-E180 HydrophobicContact CD2-CB 3.85Å; E180-Q183 PolarHBondContact O-N 3.04Å; E180-V184 WeakPolarHBondContact O-CG2 3.37Å; E180-V184 PolarHBondContact O-N 3.4Å
181	L	85.5	Confident	84.1	Confident	28 Å²	28	87 Å²	87	15%	0.147	46%	0.458	C	S	.	.	H	α-helix	trans	-62.9	-45.6	178.5	-179.2	62.5	0	0	0	110.9	E163 L166 M167 V170 A177 N178 Q183 V184 S185	E163-L181 HydrophobicContact CG-CD1 3.67Å; L166-L181 HydrophobicContact CB-CB 4.1Å; L166-L181 HydrophobicContact CB-CD1 3.9Å; M167-L181 HydrophobicContact CG-CD1 3.91Å; M167-L181 HydrophobicContact CG-CD2 3.97Å; V170-L181 HydrophobicContact CG2-CD2 4.16Å; A177-L181 VanDerWaalsContact O-CB 3.23Å; A177-L181 WeakPolarHBondContact O-CB 3.44Å; A177-L181 PolarHBondContact O-N 2.92Å; N178-L181 PolarHBondContact O-N 2.94Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.85Å; L181-V184 PolarHBondContact O-N 3.49Å; L181-S185 WeakPolarHBondContact O-CB 3.49Å; L181-S185 PolarHBondContact O-N 3.15Å; L181-S185 PolarHBondContact O-OG 3.26Å
182	E	85.7	Confident	83.8	Confident	133 Å²	133	82.9 Å²	82.9	62%	0.621	44%	0.438	S	S	*	.	H	α-helix	trans	-58.9	-44.8	177.4	-171.7	173.9	-165.1	0	0	111.4	N178 V184 S185 D186	N178-E182 PolarHBondContact O-N 3.21Å; E182-V184 PolarHBondContact O-N 3.08Å; E182-S185 PolarHBondContact O-N 3.1Å; E182-D186 WeakPolarHBondContact O-CB 3.3Å; E182-D186 PolarHBondContact O-N 2.87Å
183	Q	88.4	Confident	83.3	Confident	133 Å²	133	76.9 Å²	76.9	62%	0.621	41%	0.408	S	S	*	.	H	α-helix	trans	-62	-43.8	176.7	-69.5	174.4	22.4	0	0	112.7	E179 E180 L181 D186 E187	E179-Q183 WeakPolarHBondContact O-CG 3.42Å; E179-Q183 PolarHBondContact O-N 3.18Å; E180-Q183 PolarHBondContact O-N 3.04Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.85Å; Q183-D186 PolarHBondContact O-N 3.47Å; Q183-E187 PolarHBondContact O-N 2.9Å
184	V	86.2	Confident	83.2	Confident	13 Å²	13	81.3 Å²	81.3	8%	0.079	42%	0.418	C	S	.	.	H	α-helix	trans	-67.5	-44.2	179.4	170.1	0	0	0	0	111.1	L159 R162 E163 L166 E180 L181 E182 D186 E187 L188	L159-V184 HydrophobicContact CB-CG1 4.46Å; L159-V184 HydrophobicContact CD2-CG1 4.2Å; L159-V184 WeakPolarHBondContact O-CG1 3.43Å; R162-V184 HydrophobicContact CG-CG2 4.4Å; E163-V184 HydrophobicContact CB-CG1 3.89Å; L166-V184 HydrophobicContact CD1-CB 4.4Å; L166-V184 HydrophobicContact CD1-CG2 3.9Å; E180-V184 WeakPolarHBondContact O-CG2 3.37Å; E180-V184 PolarHBondContact O-N 3.4Å; L181-V184 PolarHBondContact O-N 3.49Å; E182-V184 PolarHBondContact O-N 3.08Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.43Å; V184-E187 PolarHBondContact O-N 2.88Å; V184-L188 HydrophobicContact CG1-CD1 4.12Å; V184-L188 WeakPolarHBondContact O-CB 3.36Å; V184-L188 WeakPolarHBondContact O-CG 3.24Å; V184-L188 PolarHBondContact O-N 3.1Å
185	S	83.6	Confident	83.4	Confident	38 Å²	38	81.8 Å²	81.8	27%	0.266	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-37.6	177.4	-64.4	0	0	0	0	111.7	E163 L181 E182 L188 R189	E163-S185 PolarHBondContact OE1-OG 3.24Å; L181-S185 WeakPolarHBondContact O-CB 3.49Å; L181-S185 PolarHBondContact O-N 3.15Å; L181-S185 PolarHBondContact O-OG 3.26Å; E182-S185 PolarHBondContact O-N 3.1Å; S185-L188 PolarHBondContact O-N 3.43Å; S185-R189 VanDerWaalsContact O-CB 3.32Å; S185-R189 WeakPolarHBondContact O-CB 3.27Å; S185-R189 PolarHBondContact O-N 3.38Å
186	D	87	Confident	83.7	Confident	93 Å²	93	75.5 Å²	75.5	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-41.3	172.8	-86.1	-13.9	0	0	0	112.1	E182 Q183 V184 R189 A190	E182-D186 WeakPolarHBondContact O-CB 3.3Å; E182-D186 PolarHBondContact O-N 2.87Å; Q183-D186 PolarHBondContact O-N 3.47Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.43Å; D186-R189 PolarHBondContact O-N 3.39Å; D186-A190 WeakPolarHBondContact O-CB 3.34Å; D186-A190 PolarHBondContact O-N 2.96Å
187	E	86.2	Confident	84.1	Confident	82 Å²	82	73.5 Å²	73.5	38%	0.383	38%	0.384	S	S	.	.	H	α-helix	trans	-65	-43	174.9	-169.4	178.4	167.2	0	0	111.7	L159 Q183 V184 R189 A190 R191	L159-E187 HydrophobicContact CD1-CG 3.97Å; Q183-E187 PolarHBondContact O-N 2.9Å; V184-E187 PolarHBondContact O-N 2.88Å; E187-R189 VanDerWaalsContact C-N 3.33Å; E187-R189 PolarHBondContact O-N 3.15Å; E187-A190 PolarHBondContact O-N 2.84Å; E187-R191 WeakPolarHBondContact O-CB 3.42Å; E187-R191 VanDerWaalsContact O-CG 3.3Å; E187-R191 WeakPolarHBondContact O-CG 3.43Å; E187-R191 PolarHBondContact O-N 3.47Å; E187-R191 IonicContact OE1-CZ 2.96Å; E187-R191 VanDerWaalsContact OE1-CZ 3.3Å; E187-R191 IonicContact OE1-NE 2.84Å; E187-R191 PolarHBondContact OE1-NE 3.29Å; E187-R191 IonicContact OE1-NH2 3.86Å; E187-R191 PolarHBondContact OE1-NH2 2.89Å
188	L	84.8	Confident	84.5	Confident	7 Å²	7	77.4 Å²	77.4	4%	0.037	41%	0.41	C	S	.	.	H	α-helix	trans	-60.6	-42.2	174.7	-79.1	170.9	0	0	0	111.7	R156 L159 M160 E163 V184 S185 R191 G192 A193	R156-L188 HydrophobicContact CG-CD2 4.43Å; L159-L188 HydrophobicContact CB-CD1 4.4Å; L159-L188 HydrophobicContact CB-CD2 3.55Å; L159-L188 HydrophobicContact CB-CG 3.9Å; L159-L188 HydrophobicContact CD1-CD2 4.31Å; M160-L188 HydrophobicContact CG-CD1 4.37Å; M160-L188 HydrophobicContact CG-CD2 3.91Å; E163-L188 HydrophobicContact CB-CD1 3.97Å; E163-L188 HydrophobicContact CG-CD1 4.21Å; E163-L188 WeakPolarHBondContact OE2-CD1 3.39Å; V184-L188 HydrophobicContact CG1-CD1 4.12Å; V184-L188 WeakPolarHBondContact O-CB 3.36Å; V184-L188 WeakPolarHBondContact O-CG 3.24Å; V184-L188 PolarHBondContact O-N 3.1Å; S185-L188 PolarHBondContact O-N 3.43Å; L188-R191 PolarHBondContact O-N 2.99Å; L188-G192 PolarHBondContact O-N 3.31Å; L188-A193 HydrophobicContact CB-CB 4.2Å; L188-A193 HydrophobicContact CD2-CB 3.98Å; L188-A193 WeakPolarHBondContact O-CB 3.46Å; L188-A193 PolarHBondContact O-N 3.19Å
189	R	85.2	Confident	84.8	Confident	195 Å²	195	76.2 Å²	76.2	74%	0.736	40%	0.401	S	S	*	.	H	α-helix	trans	-66	-43.1	176.2	-171.4	179.5	-177.7	-175.7	2.4	111.8	S185 D186 E187 R191 G192	S185-R189 VanDerWaalsContact O-CB 3.32Å; S185-R189 WeakPolarHBondContact O-CB 3.27Å; S185-R189 PolarHBondContact O-N 3.38Å; D186-R189 PolarHBondContact O-N 3.39Å; E187-R189 VanDerWaalsContact C-N 3.33Å; E187-R189 PolarHBondContact O-N 3.15Å; R189-R191 VanDerWaalsContact C-N 3.27Å; R189-R191 PolarHBondContact O-N 3.48Å; R189-G192 PolarHBondContact O-N 2.96Å
190	A	81.6	Confident	85.1	Confident	92 Å²	92	70 Å²	70	76%	0.76	37%	0.373	S	S	*	.	H	α-helix	trans	-63	-34.3	176	0	0	0	0	0	112.2	D186 E187 G192	D186-A190 WeakPolarHBondContact O-CB 3.34Å; D186-A190 PolarHBondContact O-N 2.96Å; E187-A190 PolarHBondContact O-N 2.84Å; A190-G192 VanDerWaalsContact C-N 3.27Å
191	R	79.6	Confident	85.4	Confident	113 Å²	113	71.5 Å²	71.5	43%	0.426	38%	0.375	S	S	.	.	H	α-helix	trans	-75.7	-13.2	172.9	-71.2	173.1	-178.8	-77.9	-3.7	113.5	E187 L188 R189	E187-R191 WeakPolarHBondContact O-CB 3.42Å; E187-R191 VanDerWaalsContact O-CG 3.3Å; E187-R191 WeakPolarHBondContact O-CG 3.43Å; E187-R191 PolarHBondContact O-N 3.47Å; E187-R191 IonicContact OE1-CZ 2.96Å; E187-R191 VanDerWaalsContact OE1-CZ 3.3Å; E187-R191 IonicContact OE1-NE 2.84Å; E187-R191 PolarHBondContact OE1-NE 3.29Å; E187-R191 IonicContact OE1-NH2 3.86Å; E187-R191 PolarHBondContact OE1-NH2 2.89Å; L188-R191 PolarHBondContact O-N 2.99Å; R189-R191 VanDerWaalsContact C-N 3.27Å; R189-R191 PolarHBondContact O-N 3.48Å
192	G	80.2	Confident	85.6	Confident	29 Å²	29	77 Å²	77	30%	0.299	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	40.6	-179.3	0	0	0	0	0	113.1	L188 R189 A190 D194 A195 A196	L188-G192 PolarHBondContact O-N 3.31Å; R189-G192 PolarHBondContact O-N 2.96Å; A190-G192 VanDerWaalsContact C-N 3.27Å; G192-D194 VanDerWaalsContact C-N 3.26Å; G192-D194 PolarHBondContact O-N 2.87Å; G192-A195 PolarHBondContact O-N 2.95Å; G192-A196 PolarHBondContact O-N 3.4Å
193	A	76.7	Confident	85.9	Confident	19 Å²	19	70.7 Å²	70.7	16%	0.157	37%	0.365	C	S	.	.	H	α-helix	trans	-51.5	-40.7	-177.7	0	0	0	0	0	113.3	L188 A195 A196	L188-A193 HydrophobicContact CB-CB 4.2Å; L188-A193 HydrophobicContact CD2-CB 3.98Å; L188-A193 WeakPolarHBondContact O-CB 3.46Å; L188-A193 PolarHBondContact O-N 3.19Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A193-A195 PolarHBondContact O-N 3.32Å; A193-A196 WeakPolarHBondContact O-CB 3.12Å; A193-A196 PolarHBondContact O-N 2.98Å
194	D	80	Confident	86.1	Confident	152 Å²	152	64.4 Å²	64.4	81%	0.813	34%	0.335	S	S	*	.	H	α-helix	trans	-65.3	-34.1	178	-58.2	-34.7	0	0	0	113.2	G192 A196	G192-D194 VanDerWaalsContact C-N 3.26Å; G192-D194 PolarHBondContact O-N 2.87Å; D194-A196 VanDerWaalsContact C-N 3.28Å; D194-A196 PolarHBondContact O-N 3.46Å
195	A	86	Confident	86.2	Confident	59 Å²	59	66.4 Å²	66.4	49%	0.488	35%	0.353	S	S	.	.	H	α-helix	trans	-83.8	-4	179.8	0	0	0	0	0	112.7	G192 A193 K199	G192-A195 PolarHBondContact O-N 2.95Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A193-A195 PolarHBondContact O-N 3.32Å; A195-K199 WeakPolarHBondContact O-CB 3.48Å; A195-K199 PolarHBondContact O-N 2.9Å
196	A	86.9	Confident	86.4	Confident	7 Å²	7	65.2 Å²	65.2	6%	0.058	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-49.5	-175.6	0	0	0	0	0	112.2	L150 G192 A193 D194 K199 A200 F236	L150-A196 HydrophobicContact CD2-CB 3.8Å; G192-A196 PolarHBondContact O-N 3.4Å; A193-A196 WeakPolarHBondContact O-CB 3.12Å; A193-A196 PolarHBondContact O-N 2.98Å; D194-A196 VanDerWaalsContact C-N 3.28Å; D194-A196 PolarHBondContact O-N 3.46Å; A196-K199 WeakPolarHBondContact O-CB 3.15Å; A196-K199 PolarHBondContact O-N 3.14Å; A196-A200 WeakPolarHBondContact O-CB 3.28Å; A196-A200 PolarHBondContact O-N 3.23Å; A196-F236 HydrophobicContact CB-CE2 4.28Å; A196-F236 HydrophobicContact CB-CZ 3.96Å; A196-F236 WeakPolarHBondContact O-CE2 3.41Å
197	E	88.3	Confident	86.4	Confident	82 Å²	82	60.8 Å²	60.8	38%	0.383	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-49.7	-179.1	178	-179.6	-178.5	0	0	112.3	V146 L150 K199 A200 R201	V146-E197 HydrophobicContact CG1-CG 4.31Å; L150-E197 HydrophobicContact CD1-CB 4.06Å; L150-E197 HydrophobicContact CD1-CG 4.28Å; L150-E197 HydrophobicContact CD2-CB 4.45Å; E197-K199 VanDerWaalsContact C-N 3.25Å; E197-K199 PolarHBondContact O-N 3.44Å; E197-A200 PolarHBondContact O-N 3.12Å; E197-A200 VanDerWaalsContact O-N 3.15Å; E197-R201 HydrophobicContact CG-CG 4.4Å; E197-R201 WeakPolarHBondContact O-CG 3.5Å; E197-R201 PolarHBondContact O-N 3.4Å; E197-R201 IonicContact OE1-CZ 3.3Å; E197-R201 VanDerWaalsContact OE1-CZ 3.27Å; E197-R201 IonicContact OE1-NE 2.94Å; E197-R201 PolarHBondContact OE1-NE 2.82Å; E197-R201 IonicContact OE1-NH2 2.75Å; E197-R201 PolarHBondContact OE1-NH2 3.45Å
198	P	89.9	Confident	86.4	Confident	83 Å²	83	58.6 Å²	58.6	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-56.8	-37.8	173.3	-26.5	34.5	0	0	0	113.3	R202	P198-R202 VanDerWaalsContact O-CB 3.29Å; P198-R202 WeakPolarHBondContact O-CB 3.42Å; P198-R202 PolarHBondContact O-N 2.85Å
199	K	90	Very high	86.6	Confident	46 Å²	46	58.4 Å²	58.4	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-46.5	175.7	-177.2	-172.1	-180	-167.9	0	111.2	A195 A196 E197 R202 I203 F236 E238	A195-K199 WeakPolarHBondContact O-CB 3.48Å; A195-K199 PolarHBondContact O-N 2.9Å; A196-K199 WeakPolarHBondContact O-CB 3.15Å; A196-K199 PolarHBondContact O-N 3.14Å; E197-K199 VanDerWaalsContact C-N 3.25Å; E197-K199 PolarHBondContact O-N 3.44Å; K199-R202 PolarHBondContact O-N 3.35Å; K199-I203 HydrophobicContact CG-CD1 4.11Å; K199-I203 WeakPolarHBondContact O-CG1 3.41Å; K199-I203 PolarHBondContact O-N 2.8Å; K199-F236 HydrophobicContact CB-CE2 4.38Å; K199-F236 HydrophobicContact CD-CD2 4Å; K199-F236 HydrophobicContact CD-CE2 4.03Å; K199-F236 HydrophobicContact CG-CD2 4.23Å; K199-F236 HydrophobicContact CG-CE2 4.38Å; K199-F236 PolarHBondContact NZ-O 2.92Å; K199-F236 VanDerWaalsContact NZ-O 3.07Å; K199-E238 VanDerWaalsContact CE-OE1 3.3Å; K199-E238 WeakPolarHBondContact CE-OE1 3.42Å; K199-E238 VanDerWaalsContact NZ-CD 3.29Å; K199-E238 IonicContact NZ-OE1 3.05Å; K199-E238 PolarHBondContact NZ-OE1 2.86Å
200	A	90.2	Very high	86.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-49.1	178.6	0	0	0	0	0	111.4	V149 L150 A196 E197 R202 I203 L204 F236	V149-A200 HydrophobicContact CB-CB 4.33Å; V149-A200 HydrophobicContact CG1-CB 3.75Å; L150-A200 HydrophobicContact CD2-CB 4.15Å; L150-A200 HydrophobicContact CG-CB 4.29Å; A196-A200 WeakPolarHBondContact O-CB 3.28Å; A196-A200 PolarHBondContact O-N 3.23Å; E197-A200 PolarHBondContact O-N 3.12Å; E197-A200 VanDerWaalsContact O-N 3.15Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 2.97Å; A200-I203 PolarHBondContact O-N 3.2Å; A200-L204 WeakPolarHBondContact O-CG 3.4Å; A200-L204 PolarHBondContact O-N 2.91Å; A200-F236 HydrophobicContact CB-CD2 4.19Å; A200-F236 HydrophobicContact CB-CE2 4.22Å
201	R	91.8	Very high	86.7	Confident	98 Å²	98	54.6 Å²	54.6	37%	0.37	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-40.3	176	-68.2	-173.6	-176.7	-139.6	3.3	112.2	V146 E197 L204 A205	V146-R201 HydrophobicContact CG1-CG 4.36Å; V146-R201 HydrophobicContact CG2-CG 4.05Å; E197-R201 HydrophobicContact CG-CG 4.4Å; E197-R201 WeakPolarHBondContact O-CG 3.5Å; E197-R201 PolarHBondContact O-N 3.4Å; E197-R201 IonicContact OE1-CZ 3.3Å; E197-R201 VanDerWaalsContact OE1-CZ 3.27Å; E197-R201 IonicContact OE1-NE 2.94Å; E197-R201 PolarHBondContact OE1-NE 2.82Å; E197-R201 IonicContact OE1-NH2 2.75Å; E197-R201 PolarHBondContact OE1-NH2 3.45Å; R201-L204 PolarHBondContact O-N 3.3Å; R201-A205 VanDerWaalsContact O-CB 3.27Å; R201-A205 WeakPolarHBondContact O-CB 3.05Å; R201-A205 PolarHBondContact O-N 3.31Å
202	R	90.3	Very high	86.9	Confident	144 Å²	144	54.6 Å²	54.6	54%	0.543	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-41.5	176.8	-175.6	178.8	66.2	-174.9	-0.6	112.8	P198 K199 A200 G206	P198-R202 VanDerWaalsContact O-CB 3.29Å; P198-R202 WeakPolarHBondContact O-CB 3.42Å; P198-R202 PolarHBondContact O-N 2.85Å; K199-R202 PolarHBondContact O-N 3.35Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 2.97Å; R202-G206 PolarHBondContact O-N 3.47Å
203	I	91.6	Very high	87.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-46.5	176.9	-69.7	168.6	0	0	0	110	K199 A200 A205 G206 L207 A232 L235 F236 W258 Y262	K199-I203 HydrophobicContact CG-CD1 4.11Å; K199-I203 WeakPolarHBondContact O-CG1 3.41Å; K199-I203 PolarHBondContact O-N 2.8Å; A200-I203 PolarHBondContact O-N 3.2Å; I203-A205 PolarHBondContact O-N 3.12Å; I203-G206 PolarHBondContact O-N 2.78Å; I203-L207 HydrophobicContact CG2-CD1 4.17Å; I203-L207 WeakPolarHBondContact O-CG 3.46Å; I203-L207 PolarHBondContact O-N 3.38Å; I203-A232 HydrophobicContact CG2-CB 3.92Å; I203-L235 HydrophobicContact CD1-CB 4.46Å; I203-L235 HydrophobicContact CG2-CB 4.25Å; I203-L235 HydrophobicContact CG2-CD1 4.29Å; I203-F236 HydrophobicContact CD1-CB 4.11Å; I203-F236 HydrophobicContact CD1-CD2 4.42Å; I203-W258 HydrophobicContact CB-CH2 4.26Å; I203-W258 HydrophobicContact CG1-CH2 4.29Å; I203-W258 HydrophobicContact CG2-CH2 4Å; I203-Y262 HydrophobicContact CG1-CE2 4.45Å
204	L	91.3	Very high	87.6	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-45.7	177.4	-73.2	166.2	0	0	0	111.6	P145 V146 V149 A200 R201 G206 L207 G208 F209 Q214 A232	P145-L204 HydrophobicContact CB-CD1 4.09Å; P145-L204 HydrophobicContact CB-CD2 4.01Å; V146-L204 HydrophobicContact CB-CD1 4.3Å; V146-L204 HydrophobicContact CG2-CD1 3.61Å; V149-L204 HydrophobicContact CG2-CD1 4.35Å; V149-L204 HydrophobicContact CG2-CD2 4.29Å; V149-L204 HydrophobicContact CG2-CG 4.45Å; A200-L204 WeakPolarHBondContact O-CG 3.4Å; A200-L204 PolarHBondContact O-N 2.91Å; R201-L204 PolarHBondContact O-N 3.3Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-G206 PolarHBondContact O-N 3.01Å; L204-L207 CarbonylContact O-C 3.52Å; L204-L207 PolarHBondContact O-N 2.8Å; L204-L207 VanDerWaalsContact O-N 3.15Å; L204-G208 PolarHBondContact O-N 2.68Å; L204-F209 HydrophobicContact CB-CB 4.09Å; L204-F209 HydrophobicContact CB-CD2 4.18Å; L204-F209 HydrophobicContact CB-CG 4.29Å; L204-F209 HydrophobicContact CD2-CD2 3.74Å; L204-F209 HydrophobicContact CD2-CE2 3.82Å; L204-F209 HydrophobicContact CD2-CG 4.14Å; L204-F209 HydrophobicContact CD2-CZ 4.3Å; L204-F209 WeakPolarHBondContact O-CB 3.38Å; L204-F209 WeakPolarHBondContact O-CD2 3.23Å; L204-F209 PolarHBondContact O-N 3.47Å; L204-Q214 HydrophobicContact CB-CG 4.01Å; L204-Q214 HydrophobicContact CD1-CG 4.25Å; L204-A232 HydrophobicContact CD2-CB 3.63Å; L204-A232 HydrophobicContact CG-CB 4.25Å
205	A	89.2	Confident	87.8	Confident	55 Å²	55	51.2 Å²	51.2	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-59.3	-41.6	175.1	0	0	0	0	0	112.2	R201 I203 L207 G208 F209	R201-A205 VanDerWaalsContact O-CB 3.27Å; R201-A205 WeakPolarHBondContact O-CB 3.05Å; R201-A205 PolarHBondContact O-N 3.31Å; I203-A205 PolarHBondContact O-N 3.12Å; A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 2.55Å; A205-G208 PolarHBondContact O-N 3.35Å; A205-F209 WeakPolarHBondContact CA-O 3.26Å
206	G	86.9	Confident	87.8	Confident	14 Å²	14	50.9 Å²	50.9	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-32.3	175.9	0	0	0	0	0	114.3	R202 I203 L204 G208 W258	R202-G206 PolarHBondContact O-N 3.47Å; I203-G206 PolarHBondContact O-N 2.78Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-G206 PolarHBondContact O-N 3.01Å; G206-G208 PolarHBondContact O-N 3.18Å; G206-W258 VanDerWaalsContact CA-CD2 3.48Å; G206-W258 VanDerWaalsContact CA-CE2 3.48Å; G206-W258 WeakPolarHBondContact O-CB 3.49Å
207	L	88.3	Confident	87.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	6.7	173	-65.8	173.2	0	0	0	113.3	I203 L204 A205 F209 R228 L231 A232 W258	I203-L207 HydrophobicContact CG2-CD1 4.17Å; I203-L207 WeakPolarHBondContact O-CG 3.46Å; I203-L207 PolarHBondContact O-N 3.38Å; L204-L207 CarbonylContact O-C 3.52Å; L204-L207 PolarHBondContact O-N 2.8Å; L204-L207 VanDerWaalsContact O-N 3.15Å; A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 2.55Å; L207-F209 HydrophobicContact CB-CD2 4.36Å; L207-R228 WeakPolarHBondContact CD1-O 3.49Å; L207-R228 PolarHBondContact O-NH1 3.16Å; L207-L231 HydrophobicContact CD1-CB 4.41Å; L207-L231 HydrophobicContact CD1-CD2 4.46Å; L207-L231 HydrophobicContact CD1-CG 4.37Å; L207-L231 HydrophobicContact CD2-CD2 3.81Å; L207-L231 HydrophobicContact CD2-CG 4.48Å; L207-A232 HydrophobicContact CD1-CB 3.69Å; L207-W258 HydrophobicContact CD2-CE3 3.87Å; L207-W258 HydrophobicContact CD2-CZ3 3.73Å; L207-W258 HydrophobicContact CG-CE3 4.16Å; L207-W258 HydrophobicContact CG-CZ3 3.78Å
208	G	86.1	Confident	87.4	Confident	35 Å²	35	49 Å²	49	36%	0.361	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	7.3	173.2	0	0	0	0	0	115.8	L204 A205 G206 S210 W225	L204-G208 PolarHBondContact O-N 2.68Å; A205-G208 PolarHBondContact O-N 3.35Å; G206-G208 PolarHBondContact O-N 3.18Å; G208-S210 PolarHBondContact O-N 2.87Å; G208-W225 WeakPolarHBondContact O-CH2 3.48Å
209	F	87.6	Confident	86.8	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	24%	0.243	C	C	.	.			trans	-76.7	121	175.4	-70.1	-100.3	0	0	0	111.3	P145 L204 A205 L207 M213 Q214 F221 W225 R228 I229	P145-F209 HydrophobicContact CB-CD1 4.42Å; P145-F209 HydrophobicContact CB-CE1 4.22Å; P145-F209 HydrophobicContact CG-CD1 4.21Å; P145-F209 HydrophobicContact CG-CE1 3.94Å; L204-F209 HydrophobicContact CB-CB 4.09Å; L204-F209 HydrophobicContact CB-CD2 4.18Å; L204-F209 HydrophobicContact CB-CG 4.29Å; L204-F209 HydrophobicContact CD2-CD2 3.74Å; L204-F209 HydrophobicContact CD2-CE2 3.82Å; L204-F209 HydrophobicContact CD2-CG 4.14Å; L204-F209 HydrophobicContact CD2-CZ 4.3Å; L204-F209 WeakPolarHBondContact O-CB 3.38Å; L204-F209 WeakPolarHBondContact O-CD2 3.23Å; L204-F209 PolarHBondContact O-N 3.47Å; A205-F209 WeakPolarHBondContact CA-O 3.26Å; L207-F209 HydrophobicContact CB-CD2 4.36Å; F209-M213 HydrophobicContact CB-CB 4.42Å; F209-M213 HydrophobicContact CD1-CB 4.11Å; F209-Q214 HydrophobicContact CB-CG 3.72Å; F209-Q214 PolarHBondContact O-NE2 3.12Å; F209-F221 HydrophobicContact CE1-CE2 4.29Å; F209-F221 HydrophobicContact CE1-CZ 4.3Å; F209-W225 HydrophobicContact CD1-CE3 4.09Å; F209-W225 HydrophobicContact CD1-CZ3 4.09Å; F209-W225 HydrophobicContact CD2-CE3 4.28Å; F209-W225 AromaticContact CD2-CZ3 3.97Å; F209-W225 HydrophobicContact CD2-CZ3 3.97Å; F209-W225 AromaticContact CE1-CE3 3.68Å; F209-W225 HydrophobicContact CE1-CE3 3.68Å; F209-W225 HydrophobicContact CE1-CZ3 4.14Å; F209-W225 AromaticContact CE2-CE3 3.92Å; F209-W225 HydrophobicContact CE2-CE3 3.92Å; F209-W225 HydrophobicContact CE2-CZ3 4.04Å; F209-W225 HydrophobicContact CG-CE3 4.36Å; F209-W225 AromaticContact CG-CZ3 3.99Å; F209-W225 HydrophobicContact CG-CZ3 3.99Å; F209-W225 AromaticContact CZ-CE3 3.58Å; F209-W225 HydrophobicContact CZ-CE3 3.58Å; F209-W225 HydrophobicContact CZ-CZ3 4.1Å; F209-R228 HydrophobicContact CE2-CB 3.7Å; F209-R228 HydrophobicContact CZ-CB 4.07Å; F209-I229 HydrophobicContact CE1-CD1 4.33Å; F209-I229 HydrophobicContact CE1-CG1 3.96Å; F209-I229 HydrophobicContact CE2-CG1 4.39Å; F209-I229 HydrophobicContact CZ-CD1 4.27Å; F209-I229 HydrophobicContact CZ-CG1 3.45Å; F209-I229 VanDerWaalsContact CZ-CG1 3.45Å
210	S	85.1	Confident	86.3	Confident	48 Å²	48	50.3 Å²	50.3	34%	0.336	26%	0.258	S	S	.	.			trans	-66.6	161.6	168.1	73.8	0	0	0	0	111.6	G208 E212 M213 Q214	G208-S210 PolarHBondContact O-N 2.87Å; S210-E212 PolarHBondContact O-N 3.33Å; S210-M213 WeakPolarHBondContact O-CB 3.38Å; S210-M213 PolarHBondContact O-N 3.15Å; S210-M213 VanDerWaalsContact O-N 3.11Å; S210-M213 VanDerWaalsContact OG-CG 3.23Å; S210-M213 WeakPolarHBondContact OG-CG 3.42Å; S210-M213 PolarHBondContact OG-N 3.29Å; S210-Q214 VanDerWaalsContact O-CG 3.3Å; S210-Q214 WeakPolarHBondContact O-CG 3.3Å; S210-Q214 PolarHBondContact O-N 2.93Å
211	E	84.6	Confident	85.8	Confident	158 Å²	158	50.9 Å²	50.9	74%	0.738	26%	0.26	S	S	*	.	H	α-helix	trans	-57.4	-36.5	177.5	-65	-172.2	167.6	0	0	112.3	Q214	E211-Q214 PolarHBondContact O-N 2.82Å
212	E	84.2	Confident	85	Confident	114 Å²	114	48.3 Å²	48.3	53%	0.533	26%	0.257	S	S	.	.	H	α-helix	trans	-68.6	-42.6	175.7	-63.1	173.6	-177.7	0	0	111.9	S210 Q214 M215 R216	S210-E212 PolarHBondContact O-N 3.33Å; E212-Q214 VanDerWaalsContact C-N 3.27Å; E212-Q214 PolarHBondContact O-N 3.01Å; E212-M215 PolarHBondContact O-N 2.73Å; E212-R216 PolarHBondContact O-N 3.22Å
213	M	84.1	Confident	84.2	Confident	7 Å²	7	44 Å²	44	3%	0.034	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-37.3	176.1	-72.4	173.8	81.6	0	0	112.1	F209 S210 M215 R216 F221 W225	F209-M213 HydrophobicContact CB-CB 4.42Å; F209-M213 HydrophobicContact CD1-CB 4.11Å; S210-M213 WeakPolarHBondContact O-CB 3.38Å; S210-M213 PolarHBondContact O-N 3.15Å; S210-M213 VanDerWaalsContact O-N 3.11Å; S210-M213 VanDerWaalsContact OG-CG 3.23Å; S210-M213 WeakPolarHBondContact OG-CG 3.42Å; S210-M213 PolarHBondContact OG-N 3.29Å; M213-M215 PolarHBondContact O-N 3.2Å; M213-M215 VanDerWaalsContact O-N 3.16Å; M213-R216 PolarHBondContact O-N 2.92Å; M213-R216 VanDerWaalsContact O-N 3.14Å; M213-F221 HydrophobicContact CB-CE1 4.29Å; M213-F221 HydrophobicContact CB-CZ 4.02Å; M213-F221 HydrophobicContact CE-CD1 4.22Å; M213-F221 HydrophobicContact CE-CE1 3.51Å; M213-F221 HydrophobicContact CE-CZ 4.33Å; M213-F221 HydrophobicContact CG-CE1 4.28Å; M213-F221 HydrophobicContact CG-CZ 4.45Å; M213-F221 WeakPolarHBondContact O-CZ 3.1Å; M213-W225 HydrophobicContact CE-CD2 3.78Å; M213-W225 HydrophobicContact CE-CE3 3.7Å; M213-W225 HydrophobicContact CE-CH2 3.47Å; M213-W225 VanDerWaalsContact CE-CH2 3.47Å; M213-W225 HydrophobicContact CE-CZ2 3.53Å; M213-W225 HydrophobicContact CE-CZ3 3.54Å; M213-W225 HydrophobicContact SD-CH2 4.19Å; M213-W225 HydrophobicContact SD-CZ3 4.5Å
214	Q	86.6	Confident	83.6	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-23	178.7	-76	179.3	43.5	0	0	113.2	S144 P145 V146 L204 F209 S210 E211 E212	S144-Q214 WeakPolarHBondContact CB-O 3.4Å; P145-Q214 WeakPolarHBondContact CD-O 3.41Å; V146-Q214 HydrophobicContact CG2-CB 3.7Å; V146-Q214 HydrophobicContact CG2-CG 4.2Å; L204-Q214 HydrophobicContact CB-CG 4.01Å; L204-Q214 HydrophobicContact CD1-CG 4.25Å; F209-Q214 HydrophobicContact CB-CG 3.72Å; F209-Q214 PolarHBondContact O-NE2 3.12Å; S210-Q214 VanDerWaalsContact O-CG 3.3Å; S210-Q214 WeakPolarHBondContact O-CG 3.3Å; S210-Q214 PolarHBondContact O-N 2.93Å; E211-Q214 PolarHBondContact O-N 2.82Å; E212-Q214 VanDerWaalsContact C-N 3.27Å; E212-Q214 PolarHBondContact O-N 3.01Å
215	M	85.5	Confident	83.1	Confident	115 Å²	115	46.6 Å²	46.6	57%	0.567	27%	0.273	S	S	*	.	H	α-helix	trans	-98.1	-13.7	179.2	-59	-58	-65.7	0	0	113.4	E212 M213	E212-M215 PolarHBondContact O-N 2.73Å; M213-M215 PolarHBondContact O-N 3.2Å; M213-M215 VanDerWaalsContact O-N 3.16Å
216	R	85.7	Confident	82.8	Confident	51 Å²	51	47.1 Å²	47.1	19%	0.192	26%	0.263	C	S	.	.	S	Bend	trans	-75.3	146.4	-179.5	-78.4	-168.8	-83.7	176.8	-9.4	111.8	T28 N30 S144 P145 E212 M213 F221	T28-R216 PolarHBondContact OG1-NH2 3.32Å; N30-R216 PolarHBondContact OD1-NH1 3.28Å; S144-R216 WeakPolarHBondContact CA-O 3.45Å; P145-R216 WeakPolarHBondContact CD-O 3.44Å; E212-R216 PolarHBondContact O-N 3.22Å; M213-R216 PolarHBondContact O-N 2.92Å; M213-R216 VanDerWaalsContact O-N 3.14Å; R216-F221 HydrophobicContact CB-CE2 4.41Å; R216-F221 HydrophobicContact CB-CZ 4.08Å
217	P	84.6	Confident	82.6	Confident	45 Å²	45	47.5 Å²	47.5	29%	0.292	26%	0.261	S	S	.	.			trans	-53.1	136.1	173.3	-31.2	39.2	0	0	0	113.6	E142 N219 Q220	E142-P217 WeakPolarHBondContact O-CB 3.4Å; P217-N219 WeakPolarHBondContact CB-OD1 3.49Å; P217-N219 PolarHBondContact O-N 2.86Å; P217-Q220 HydrophobicContact CB-CG 4.43Å; P217-Q220 PolarHBondContact O-N 2.8Å
218	S	81.2	Confident	82.6	Confident	5 Å²	5	47.7 Å²	47.7	4%	0.035	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-68.7	-23.2	-174.3	-60.7	0	0	0	0	113.2	D141 K143 Q220 F221	D141-S218 CarbonylContact O-C 3.42Å; D141-S218 WeakPolarHBondContact O-CB 3.24Å; K143-S218 VanDerWaalsContact O-CB 3.23Å; K143-S218 WeakPolarHBondContact O-CB 3.19Å; K143-S218 PolarHBondContact O-N 3.45Å; K143-S218 PolarHBondContact O-OG 2.83Å; S218-Q220 VanDerWaalsContact C-N 3.28Å; S218-Q220 PolarHBondContact O-N 3.18Å; S218-F221 PolarHBondContact O-N 2.76Å
219	N	78.7	Confident	82.7	Confident	49 Å²	49	46.2 Å²	46.2	26%	0.262	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-67.3	-23.7	177.7	65.3	-4.7	0	0	0	114	V140 D141 P217 F221 R226	V140-N219 HydrophobicContact CG1-CB 3.23Å; D141-N219 PolarHBondContact O-N 2.8Å; P217-N219 WeakPolarHBondContact CB-OD1 3.49Å; P217-N219 PolarHBondContact O-N 2.86Å; N219-F221 VanDerWaalsContact C-N 3.29Å; N219-F221 PolarHBondContact O-N 2.91Å; N219-R226 PolarHBondContact O-NH2 2.81Å
220	Q	79.4	Confident	82.6	Confident	107 Å²	107	46.1 Å²	46.1	50%	0.5	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-79.5	-12.5	177	-65.2	177.8	12.7	0	0	113.1	P217 S218	P217-Q220 HydrophobicContact CB-CG 4.43Å; P217-Q220 PolarHBondContact O-N 2.8Å; S218-Q220 VanDerWaalsContact C-N 3.28Å; S218-Q220 PolarHBondContact O-N 3.18Å
221	F	79.7	Confident	82.9	Confident	13 Å²	13	44 Å²	44	6%	0.057	23%	0.23	C	C	.	.	S	Bend	trans	-79.8	146	177.7	-71.9	-58.3	0	0	0	111.9	P145 F209 M213 R216 S218 N219 W225 R226 I229	P145-F221 HydrophobicContact CG-CD2 4.29Å; P145-F221 HydrophobicContact CG-CE2 3.56Å; P145-F221 HydrophobicContact CG-CZ 4.33Å; F209-F221 HydrophobicContact CE1-CE2 4.29Å; F209-F221 HydrophobicContact CE1-CZ 4.3Å; M213-F221 HydrophobicContact CB-CE1 4.29Å; M213-F221 HydrophobicContact CB-CZ 4.02Å; M213-F221 HydrophobicContact CE-CD1 4.22Å; M213-F221 HydrophobicContact CE-CE1 3.51Å; M213-F221 HydrophobicContact CE-CZ 4.33Å; M213-F221 HydrophobicContact CG-CE1 4.28Å; M213-F221 HydrophobicContact CG-CZ 4.45Å; M213-F221 WeakPolarHBondContact O-CZ 3.1Å; R216-F221 HydrophobicContact CB-CE2 4.41Å; R216-F221 HydrophobicContact CB-CZ 4.08Å; S218-F221 PolarHBondContact O-N 2.76Å; N219-F221 VanDerWaalsContact C-N 3.29Å; N219-F221 PolarHBondContact O-N 2.91Å; F221-W225 HydrophobicContact CB-CB 3.63Å; F221-W225 HydrophobicContact CD1-CB 3.92Å; F221-W225 HydrophobicContact CD1-CD2 4.47Å; F221-W225 HydrophobicContact CD1-CG 4.02Å; F221-W225 HydrophobicContact CG-CB 3.93Å; F221-R226 HydrophobicContact CB-CG 4.21Å; F221-R226 PolarHBondContact O-NE 2.83Å; F221-R226 PolarHBondContact O-NH2 3.35Å; F221-I229 HydrophobicContact CD2-CD1 4.06Å
222	S	74.8	Confident	83.2	Confident	44 Å²	44	36.5 Å²	36.5	31%	0.308	20%	0.195	S	C	.	.			trans	-66.5	163.9	170.4	70.9	0	0	0	0	111.6	G224 W225 R226	S222-G224 VanDerWaalsContact C-N 3.26Å; S222-G224 PolarHBondContact O-N 3.37Å; S222-W225 PolarHBondContact O-N 2.85Å; S222-R226 WeakPolarHBondContact O-CG 3.44Å; S222-R226 PolarHBondContact O-N 2.99Å
223	G	73.8	Confident	83.4	Confident	53 Å²	53	34.7 Å²	34.7	55%	0.546	18%	0.183	S	C	.	.	H	α-helix	trans	-52.7	-40.6	-178.5	0	0	0	0	0	113.8	R226 M227	G223-R226 WeakPolarHBondContact O-CB 3.32Å; G223-R226 PolarHBondContact O-N 3.18Å; G223-M227 PolarHBondContact O-N 2.62Å
224	G	77.4	Confident	83.7	Confident	16 Å²	16	34.5 Å²	34.5	17%	0.165	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-42.6	177.1	0	0	0	0	0	113.2	S222 M227 R228	S222-G224 VanDerWaalsContact C-N 3.26Å; S222-G224 PolarHBondContact O-N 3.37Å; G224-M227 PolarHBondContact O-N 2.74Å; G224-R228 WeakPolarHBondContact O-CG 3.4Å; G224-R228 PolarHBondContact O-N 2.95Å; G224-R228 VanDerWaalsContact O-N 3.14Å
225	W	82.5	Confident	83.9	Confident	39 Å²	39	34.1 Å²	34.1	15%	0.148	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-38.9	174.3	-81.3	107	0	0	0	111.7	G208 F209 M213 F221 S222 M227 R228 I229 N429	G208-W225 WeakPolarHBondContact O-CH2 3.48Å; F209-W225 HydrophobicContact CD1-CE3 4.09Å; F209-W225 HydrophobicContact CD1-CZ3 4.09Å; F209-W225 HydrophobicContact CD2-CE3 4.28Å; F209-W225 AromaticContact CD2-CZ3 3.97Å; F209-W225 HydrophobicContact CD2-CZ3 3.97Å; F209-W225 AromaticContact CE1-CE3 3.68Å; F209-W225 HydrophobicContact CE1-CE3 3.68Å; F209-W225 HydrophobicContact CE1-CZ3 4.14Å; F209-W225 AromaticContact CE2-CE3 3.92Å; F209-W225 HydrophobicContact CE2-CE3 3.92Å; F209-W225 HydrophobicContact CE2-CZ3 4.04Å; F209-W225 HydrophobicContact CG-CE3 4.36Å; F209-W225 AromaticContact CG-CZ3 3.99Å; F209-W225 HydrophobicContact CG-CZ3 3.99Å; F209-W225 AromaticContact CZ-CE3 3.58Å; F209-W225 HydrophobicContact CZ-CE3 3.58Å; F209-W225 HydrophobicContact CZ-CZ3 4.1Å; M213-W225 HydrophobicContact CE-CD2 3.78Å; M213-W225 HydrophobicContact CE-CE3 3.7Å; M213-W225 HydrophobicContact CE-CH2 3.47Å; M213-W225 VanDerWaalsContact CE-CH2 3.47Å; M213-W225 HydrophobicContact CE-CZ2 3.53Å; M213-W225 HydrophobicContact CE-CZ3 3.54Å; M213-W225 HydrophobicContact SD-CH2 4.19Å; M213-W225 HydrophobicContact SD-CZ3 4.5Å; F221-W225 HydrophobicContact CB-CB 3.63Å; F221-W225 HydrophobicContact CD1-CB 3.92Å; F221-W225 HydrophobicContact CD1-CD2 4.47Å; F221-W225 HydrophobicContact CD1-CG 4.02Å; F221-W225 HydrophobicContact CG-CB 3.93Å; S222-W225 PolarHBondContact O-N 2.85Å; W225-M227 VanDerWaalsContact C-N 3.33Å; W225-M227 PolarHBondContact O-N 2.66Å; W225-R228 WeakPolarHBondContact O-CA 3.42Å; W225-R228 WeakPolarHBondContact O-CB 3.42Å; W225-R228 PolarHBondContact O-N 3.27Å; W225-R228 VanDerWaalsContact O-N 3.11Å; W225-I229 WeakPolarHBondContact O-CG1 3.4Å; W225-I229 PolarHBondContact O-N 3.07Å; W225-I229 VanDerWaalsContact O-N 3.1Å; W225-N429 HydrophobicContact CZ2-CB 4.36Å
226	R	83.2	Confident	84.2	Confident	66 Å²	66	29.2 Å²	29.2	25%	0.249	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-43.6	173.4	-65.1	177.3	-169.2	169.4	1.3	111	I138 V140 N219 F221 S222 G223 R228 I229 S230	I138-R226 VanDerWaalsContact CD1-O 3.24Å; I138-R226 WeakPolarHBondContact CD1-O 3.46Å; V140-R226 VanDerWaalsContact CG2-NH1 3.26Å; N219-R226 PolarHBondContact O-NH2 2.81Å; F221-R226 HydrophobicContact CB-CG 4.21Å; F221-R226 PolarHBondContact O-NE 2.83Å; F221-R226 PolarHBondContact O-NH2 3.35Å; S222-R226 WeakPolarHBondContact O-CG 3.44Å; S222-R226 PolarHBondContact O-N 2.99Å; G223-R226 WeakPolarHBondContact O-CB 3.32Å; G223-R226 PolarHBondContact O-N 3.18Å; R226-R228 PolarHBondContact O-N 3.29Å; R226-I229 WeakPolarHBondContact O-CA 3.48Å; R226-I229 VanDerWaalsContact O-CB 3.31Å; R226-I229 WeakPolarHBondContact O-CB 3.37Å; R226-I229 PolarHBondContact O-N 2.85Å; R226-S230 PolarHBondContact O-N 2.83Å
227	M	81.8	Confident	84.4	Confident	21 Å²	21	29.4 Å²	29.4	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-37.4	174.7	-168.6	169.2	79.1	0	0	112.1	Q136 G223 G224 W225 I229 S230 L231 N249 H250	Q136-M227 HydrophobicContact CB-SD 4.11Å; Q136-M227 HydrophobicContact CG-SD 4.16Å; G223-M227 PolarHBondContact O-N 2.62Å; G224-M227 PolarHBondContact O-N 2.74Å; W225-M227 VanDerWaalsContact C-N 3.33Å; W225-M227 PolarHBondContact O-N 2.66Å; M227-I229 VanDerWaalsContact C-N 3.32Å; M227-I229 PolarHBondContact O-N 2.76Å; M227-S230 WeakPolarHBondContact O-CA 3.32Å; M227-S230 WeakPolarHBondContact O-CB 3.49Å; M227-S230 PolarHBondContact O-N 2.94Å; M227-S230 VanDerWaalsContact O-N 3.09Å; M227-L231 PolarHBondContact O-N 2.74Å; M227-N249 HydrophobicContact CE-CB 4.09Å; M227-N249 WeakPolarHBondContact CE-O 3.3Å; M227-H250 HydrophobicContact CE-CB 4.44Å
228	R	88.1	Confident	84.5	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-35.5	172.3	-61.2	-177.2	-176.7	-148.4	0.1	112.7	L207 F209 G224 W225 R226 S230 L231 A232 H250 L251 D252 N429	L207-R228 WeakPolarHBondContact CD1-O 3.49Å; L207-R228 PolarHBondContact O-NH1 3.16Å; F209-R228 HydrophobicContact CE2-CB 3.7Å; F209-R228 HydrophobicContact CZ-CB 4.07Å; G224-R228 WeakPolarHBondContact O-CG 3.4Å; G224-R228 PolarHBondContact O-N 2.95Å; G224-R228 VanDerWaalsContact O-N 3.14Å; W225-R228 WeakPolarHBondContact O-CA 3.42Å; W225-R228 WeakPolarHBondContact O-CB 3.42Å; W225-R228 PolarHBondContact O-N 3.27Å; W225-R228 VanDerWaalsContact O-N 3.11Å; R226-R228 PolarHBondContact O-N 3.29Å; R228-S230 VanDerWaalsContact C-N 3.34Å; R228-L231 PolarHBondContact O-N 3.3Å; R228-A232 WeakPolarHBondContact O-CB 3.35Å; R228-A232 PolarHBondContact O-N 3.05Å; R228-H250 PolarHBondContact NE-O 2.96Å; R228-H250 PolarHBondContact NH2-O 3.35Å; R228-L251 HydrophobicContact CG-CD2 3.61Å; R228-D252 IonicContact CZ-OD1 2.65Å; R228-D252 VanDerWaalsContact CZ-OD1 3.31Å; R228-D252 IonicContact NH1-OD1 3.93Å; R228-D252 PolarHBondContact NH1-OD1 2.84Å; R228-D252 IonicContact NH2-OD1 3.76Å; R228-D252 PolarHBondContact NH2-OD1 3.19Å; R228-N429 PolarHBondContact NH2-ND2 3.34Å
229	I	88.1	Confident	85	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-40	172	-54.1	175	0	0	0	110.2	P145 V148 F209 F221 W225 R226 M227 L231 A232 R233	P145-I229 HydrophobicContact CB-CD1 4.06Å; P145-I229 HydrophobicContact CB-CG1 4.2Å; P145-I229 HydrophobicContact CG-CD1 3.83Å; P145-I229 HydrophobicContact CG-CG1 4.4Å; V148-I229 HydrophobicContact CB-CG2 4.11Å; V148-I229 HydrophobicContact CG1-CG2 3.71Å; F209-I229 HydrophobicContact CE1-CD1 4.33Å; F209-I229 HydrophobicContact CE1-CG1 3.96Å; F209-I229 HydrophobicContact CE2-CG1 4.39Å; F209-I229 HydrophobicContact CZ-CD1 4.27Å; F209-I229 HydrophobicContact CZ-CG1 3.45Å; F209-I229 VanDerWaalsContact CZ-CG1 3.45Å; F221-I229 HydrophobicContact CD2-CD1 4.06Å; W225-I229 WeakPolarHBondContact O-CG1 3.4Å; W225-I229 PolarHBondContact O-N 3.07Å; W225-I229 VanDerWaalsContact O-N 3.1Å; R226-I229 WeakPolarHBondContact O-CA 3.48Å; R226-I229 VanDerWaalsContact O-CB 3.31Å; R226-I229 WeakPolarHBondContact O-CB 3.37Å; R226-I229 PolarHBondContact O-N 2.85Å; M227-I229 VanDerWaalsContact C-N 3.32Å; M227-I229 PolarHBondContact O-N 2.76Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 2.82Å; I229-A232 WeakPolarHBondContact O-CB 3.48Å; I229-A232 PolarHBondContact O-N 3.46Å; I229-R233 WeakPolarHBondContact O-CB 3.38Å; I229-R233 PolarHBondContact O-N 3.01Å
230	S	86.6	Confident	85.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-48.1	174.4	-146.5	0	0	0	0	110.6	I138 R226 M227 R228 R233 A234	I138-S230 VanDerWaalsContact CD1-N 3.31Å; I138-S230 WeakPolarHBondContact CD1-OG 3.28Å; R226-S230 PolarHBondContact O-N 2.83Å; M227-S230 WeakPolarHBondContact O-CA 3.32Å; M227-S230 WeakPolarHBondContact O-CB 3.49Å; M227-S230 PolarHBondContact O-N 2.94Å; M227-S230 VanDerWaalsContact O-N 3.09Å; R228-S230 VanDerWaalsContact C-N 3.34Å; S230-R233 WeakPolarHBondContact O-CB 3.39Å; S230-R233 PolarHBondContact O-N 3.1Å; S230-R233 PolarHBondContact OG-NH2 2.93Å; S230-A234 WeakPolarHBondContact O-CB 3.47Å; S230-A234 PolarHBondContact O-N 2.82Å
231	L	90.4	Very high	86.1	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-45	-179.8	-175.4	62	0	0	0	110.2	L207 M227 R228 I229 R233 A234 L235 L244 P247 L251 L259	L207-L231 HydrophobicContact CD1-CB 4.41Å; L207-L231 HydrophobicContact CD1-CD2 4.46Å; L207-L231 HydrophobicContact CD1-CG 4.37Å; L207-L231 HydrophobicContact CD2-CD2 3.81Å; L207-L231 HydrophobicContact CD2-CG 4.48Å; M227-L231 PolarHBondContact O-N 2.74Å; R228-L231 PolarHBondContact O-N 3.3Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 2.82Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.4Å; L231-A234 PolarHBondContact O-N 3.36Å; L231-A234 VanDerWaalsContact O-N 3.14Å; L231-L235 HydrophobicContact CD1-CD1 4.47Å; L231-L235 HydrophobicContact CD1-CG 4.37Å; L231-L235 HydrophobicContact CG-CD1 4.15Å; L231-L235 HydrophobicContact CG-CG 4.44Å; L231-L235 VanDerWaalsContact O-CG 3.25Å; L231-L235 WeakPolarHBondContact O-CG 3.46Å; L231-L235 PolarHBondContact O-N 3.3Å; L231-L244 HydrophobicContact CD1-CD1 4.06Å; L231-L244 HydrophobicContact CD1-CD2 3.67Å; L231-L244 HydrophobicContact CD1-CG 4.49Å; L231-P247 HydrophobicContact CD1-CB 4.18Å; L231-P247 HydrophobicContact CD2-CB 4.35Å; L231-L251 HydrophobicContact CD2-CD1 4.27Å; L231-L259 HydrophobicContact CD2-CD1 4.13Å; L231-L259 HydrophobicContact CD2-CD2 3.95Å
232	A	90.9	Very high	86.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-45.9	175.7	0	0	0	0	0	111.8	V149 I203 L204 L207 R228 I229 A234 L235 F236	V149-A232 HydrophobicContact CG2-CB 3.81Å; I203-A232 HydrophobicContact CG2-CB 3.92Å; L204-A232 HydrophobicContact CD2-CB 3.63Å; L204-A232 HydrophobicContact CG-CB 4.25Å; L207-A232 HydrophobicContact CD1-CB 3.69Å; R228-A232 WeakPolarHBondContact O-CB 3.35Å; R228-A232 PolarHBondContact O-N 3.05Å; I229-A232 WeakPolarHBondContact O-CB 3.48Å; I229-A232 PolarHBondContact O-N 3.46Å; A232-A234 VanDerWaalsContact C-N 3.34Å; A232-A234 PolarHBondContact O-N 2.81Å; A232-L235 PolarHBondContact O-N 2.88Å; A232-F236 VanDerWaalsContact O-CB 3.26Å; A232-F236 WeakPolarHBondContact O-CB 3.24Å; A232-F236 PolarHBondContact O-N 2.79Å
233	R	89.3	Confident	87.7	Confident	77 Å²	77	22.8 Å²	22.8	29%	0.291	12%	0.123	S	C	.	.	H	α-helix	trans	-58.3	-46.7	175.4	176	176.7	68.8	178.4	0.1	111.2	A152 I229 S230 L231 F236 L237	A152-R233 VanDerWaalsContact CB-CD 3.46Å; A152-R233 HydrophobicContact CB-CG 3.3Å; I229-R233 WeakPolarHBondContact O-CB 3.38Å; I229-R233 PolarHBondContact O-N 3.01Å; S230-R233 WeakPolarHBondContact O-CB 3.39Å; S230-R233 PolarHBondContact O-N 3.1Å; S230-R233 PolarHBondContact OG-NH2 2.93Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.4Å; R233-F236 PolarHBondContact O-N 3.26Å; R233-L237 HydrophobicContact CG-CD1 4.28Å; R233-L237 WeakPolarHBondContact O-CG 3.35Å; R233-L237 PolarHBondContact O-N 2.82Å; R233-L237 VanDerWaalsContact O-N 3.16Å
234	A	89.7	Confident	88.6	Confident	2 Å²	2	20.3 Å²	20.3	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-67.9	-39	-177.8	0	0	0	0	0	112.9	L132 C134 S230 L231 A232 L242	L132-A234 HydrophobicContact CD2-CB 3.79Å; C134-A234 HydrophobicContact CB-CB 4.12Å; S230-A234 WeakPolarHBondContact O-CB 3.47Å; S230-A234 PolarHBondContact O-N 2.82Å; L231-A234 PolarHBondContact O-N 3.36Å; L231-A234 VanDerWaalsContact O-N 3.14Å; A232-A234 VanDerWaalsContact C-N 3.34Å; A232-A234 PolarHBondContact O-N 2.81Å; A234-L242 HydrophobicContact CB-CD1 3.81Å
235	L	91.3	Very high	89.3	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-34.9	174.2	-64.7	176	0	0	0	112.2	I203 L231 A232 E238 L242 W258 L259 Y262 L263 W266	I203-L235 HydrophobicContact CD1-CB 4.46Å; I203-L235 HydrophobicContact CG2-CB 4.25Å; I203-L235 HydrophobicContact CG2-CD1 4.29Å; L231-L235 HydrophobicContact CD1-CD1 4.47Å; L231-L235 HydrophobicContact CD1-CG 4.37Å; L231-L235 HydrophobicContact CG-CD1 4.15Å; L231-L235 HydrophobicContact CG-CG 4.44Å; L231-L235 VanDerWaalsContact O-CG 3.25Å; L231-L235 WeakPolarHBondContact O-CG 3.46Å; L231-L235 PolarHBondContact O-N 3.3Å; A232-L235 PolarHBondContact O-N 2.88Å; L235-E238 WeakPolarHBondContact O-CG 3.47Å; L235-L242 HydrophobicContact CD2-CD2 4.05Å; L235-W258 HydrophobicContact CD1-CH2 4.17Å; L235-W258 HydrophobicContact CD1-CZ3 3.89Å; L235-L259 HydrophobicContact CD1-CD1 3.78Å; L235-L259 HydrophobicContact CD2-CD1 4.38Å; L235-Y262 HydrophobicContact CB-CE1 4.05Å; L235-Y262 HydrophobicContact CD1-CD1 4.26Å; L235-Y262 HydrophobicContact CD1-CE1 4.29Å; L235-Y262 HydrophobicContact CD2-CD1 4.05Å; L235-Y262 HydrophobicContact CD2-CE1 3.92Å; L235-Y262 HydrophobicContact CG-CE1 4.3Å; L235-L263 HydrophobicContact CD2-CD2 3.8Å; L235-W266 HydrophobicContact CD2-CZ3 4.4Å
236	F	91.4	Very high	89.5	Confident	11 Å²	11	18.5 Å²	18.5	5%	0.048	9%	0.087	C	C	.	.	H	α-helix	trans	-67.3	-44.4	-179.8	175.5	-101.2	0	0	0	112.8	V149 L150 D153 A196 K199 A200 I203 A232 R233 E238	V149-F236 HydrophobicContact CG1-CB 3.47Å; V149-F236 VanDerWaalsContact CG1-CB 3.47Å; V149-F236 HydrophobicContact CG1-CD1 3.79Å; V149-F236 HydrophobicContact CG1-CD2 3.92Å; V149-F236 HydrophobicContact CG1-CG 3.44Å; V149-F236 VanDerWaalsContact CG1-CG 3.44Å; V149-F236 WeakPolarHBondContact O-CD1 3.25Å; L150-F236 HydrophobicContact CD2-CE2 4.43Å; L150-F236 HydrophobicContact CD2-CZ 4.03Å; D153-F236 HydrophobicContact CB-CE1 4.11Å; A196-F236 HydrophobicContact CB-CE2 4.28Å; A196-F236 HydrophobicContact CB-CZ 3.96Å; A196-F236 WeakPolarHBondContact O-CE2 3.41Å; K199-F236 HydrophobicContact CB-CE2 4.38Å; K199-F236 HydrophobicContact CD-CD2 4Å; K199-F236 HydrophobicContact CD-CE2 4.03Å; K199-F236 HydrophobicContact CG-CD2 4.23Å; K199-F236 HydrophobicContact CG-CE2 4.38Å; K199-F236 PolarHBondContact NZ-O 2.92Å; K199-F236 VanDerWaalsContact NZ-O 3.07Å; A200-F236 HydrophobicContact CB-CD2 4.19Å; A200-F236 HydrophobicContact CB-CE2 4.22Å; I203-F236 HydrophobicContact CD1-CB 4.11Å; I203-F236 HydrophobicContact CD1-CD2 4.42Å; A232-F236 VanDerWaalsContact O-CB 3.26Å; A232-F236 WeakPolarHBondContact O-CB 3.24Å; A232-F236 PolarHBondContact O-N 2.79Å; R233-F236 PolarHBondContact O-N 3.26Å; F236-E238 VanDerWaalsContact C-N 3.31Å; F236-E238 PolarHBondContact O-N 2.97Å
237	L	88.7	Confident	89.7	Confident	56 Å²	56	15.8 Å²	15.8	29%	0.293	8%	0.078	S	C	.	.	H	α-helix	trans	-66.4	-28.8	-177.7	-77.2	172.7	0	0	0	113.8	L132 A152 D153 R233	L132-L237 HydrophobicContact CD1-CD1 4.43Å; L132-L237 HydrophobicContact CD2-CB 4.16Å; L132-L237 HydrophobicContact CD2-CD1 3.73Å; A152-L237 HydrophobicContact CB-CD1 4.1Å; A152-L237 HydrophobicContact CB-CD2 4.42Å; A152-L237 HydrophobicContact CB-CG 4.33Å; D153-L237 HydrophobicContact CB-CD2 3.97Å; R233-L237 HydrophobicContact CG-CD1 4.28Å; R233-L237 WeakPolarHBondContact O-CG 3.35Å; R233-L237 PolarHBondContact O-N 2.82Å; R233-L237 VanDerWaalsContact O-N 3.16Å
238	E	88	Confident	89.9	Confident	66 Å²	66	15.6 Å²	15.6	31%	0.308	8%	0.077	S	C	.	.			trans	47.9	60.8	-177.9	-58.7	-179.3	-171.3	0	0	113.4	K199 L235 F236 W266 K268	K199-E238 VanDerWaalsContact CE-OE1 3.3Å; K199-E238 WeakPolarHBondContact CE-OE1 3.42Å; K199-E238 VanDerWaalsContact NZ-CD 3.29Å; K199-E238 IonicContact NZ-OE1 3.05Å; K199-E238 PolarHBondContact NZ-OE1 2.86Å; L235-E238 WeakPolarHBondContact O-CG 3.47Å; F236-E238 VanDerWaalsContact C-N 3.31Å; F236-E238 PolarHBondContact O-N 2.97Å; E238-W266 HydrophobicContact CB-CH2 3.98Å; E238-W266 HydrophobicContact CB-CZ2 4.45Å; E238-W266 HydrophobicContact CG-CH2 3.74Å; E238-W266 HydrophobicContact CG-CZ3 4.02Å; E238-K268 HydrophobicContact CB-CD 4.46Å; E238-K268 WeakPolarHBondContact O-CD 3.33Å; E238-K268 PolarHBondContact O-NZ 3.32Å; E238-K268 IonicContact OE2-NZ 3.39Å
239	P	90.6	Very high	89.6	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.013	8%	0.081	C	C	.	.			trans	-62.9	165.1	176.7	34.9	-44	0	0	0	111.7	L132 L242 K268	L132-P239 HydrophobicContact CB-CB 3.75Å; L132-P239 HydrophobicContact CB-CG 3.59Å; L132-P239 HydrophobicContact CD2-CG 4.18Å; P239-L242 HydrophobicContact CG-CB 3.78Å; P239-L242 HydrophobicContact CG-CD1 4Å; P239-L242 HydrophobicContact CG-CG 4.45Å; P239-K268 WeakPolarHBondContact O-CD 3.43Å
240	T	89.5	Confident	89.2	Confident	55 Å²	55	18.8 Å²	18.8	34%	0.337	9%	0.093	S	C	.	.	S	Bend	trans	-67.5	-37.1	176.7	65.4	0	0	0	0	112.7	I129 D130 T269	I129-T240 WeakPolarHBondContact CA-OG1 3.45Å; I129-T240 VanDerWaalsContact CG2-OG1 3.26Å; I129-T240 WeakPolarHBondContact CG2-OG1 3.45Å; D130-T240 HydrophobicContact CB-CG2 4.31Å; D130-T240 PolarHBondContact N-OG1 2.92Å; D130-T240 PolarHBondContact O-N 2.95Å; D130-T240 PolarHBondContact O-OG1 2.87Å; T240-T269 VanDerWaalsContact O-CB 3.28Å; T240-T269 WeakPolarHBondContact O-CB 3.45Å; T240-T269 PolarHBondContact O-N 3.33Å; T240-T269 VanDerWaalsContact O-N 3.09Å; T240-T269 PolarHBondContact O-OG1 2.74Å
241	L	92.9	Very high	89.1	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	112.8	167.4	175.5	66.9	0	0	0	109.1	I73 I95 I118 I129 D130 V131 L132 M243 T269 L271	I73-L241 HydrophobicContact CD1-CD2 3.61Å; I95-L241 HydrophobicContact CG2-CD1 4.46Å; I118-L241 HydrophobicContact CG2-CD2 4.12Å; I129-L241 HydrophobicContact CG2-CB 4.03Å; D130-L241 PolarHBondContact O-N 2.99Å; V131-L241 HydrophobicContact CG1-CD2 4.12Å; V131-L241 HydrophobicContact CG2-CB 4.32Å; V131-L241 HydrophobicContact CG2-CD2 4.1Å; L132-L241 PolarHBondContact N-O 2.99Å; L241-M243 HydrophobicContact CD1-CG 4.45Å; L241-M243 HydrophobicContact CD2-CG 4.1Å; L241-M243 HydrophobicContact CD2-SD 4.1Å; L241-M243 HydrophobicContact CG-CG 3.99Å; L241-T269 HydrophobicContact CD1-CG2 3.62Å; L241-L271 HydrophobicContact CD1-CB 4.3Å
242	L	94.2	Very high	88.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.8	170.6	179.9	58.8	0	0	0	109.7	L132 A234 L235 P239 L244 W266 T269 L270 L271	L132-L242 HydrophobicContact CB-CD1 4.47Å; L132-L242 HydrophobicContact CD2-CD1 4.44Å; A234-L242 HydrophobicContact CB-CD1 3.81Å; L235-L242 HydrophobicContact CD2-CD2 4.05Å; P239-L242 HydrophobicContact CG-CB 3.78Å; P239-L242 HydrophobicContact CG-CD1 4Å; P239-L242 HydrophobicContact CG-CG 4.45Å; L242-L244 HydrophobicContact CD1-CD2 3.93Å; L242-L244 HydrophobicContact CD2-CD1 4.41Å; L242-L244 HydrophobicContact CD2-CD2 4.25Å; L242-L244 HydrophobicContact CD2-CG 4.37Å; L242-L244 HydrophobicContact CG-CD2 4.02Å; L242-L244 HydrophobicContact CG-CG 4.14Å; L242-W266 HydrophobicContact CB-CZ2 4.01Å; L242-W266 HydrophobicContact CD2-CH2 3.88Å; L242-W266 HydrophobicContact CD2-CZ2 3.64Å; L242-W266 HydrophobicContact CG-CZ2 4.46Å; L242-T269 PolarHBondContact N-O 2.86Å; L242-L270 HydrophobicContact CB-CD1 3.95Å; L242-L270 HydrophobicContact CD2-CD1 3.88Å; L242-L270 HydrophobicContact CG-CD1 3.9Å; L242-L270 WeakPolarHBondContact O-CA 3.45Å; L242-L271 PolarHBondContact O-N 3.44Å
243	M	94.1	Very high	88.4	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.7	174.8	-57.2	-168.3	-62.3	0	0	110.9	L115 I118 A119 V131 L132 Y133 C134 L241 L271	L115-M243 HydrophobicContact CD2-CB 4.33Å; L115-M243 HydrophobicContact CD2-CG 4.48Å; L115-M243 HydrophobicContact CD2-SD 3.86Å; L115-M243 WeakPolarHBondContact O-CE 3.41Å; I118-M243 HydrophobicContact CB-CE 4.04Å; I118-M243 HydrophobicContact CB-SD 3.9Å; I118-M243 HydrophobicContact CD1-SD 4.29Å; I118-M243 HydrophobicContact CG2-CE 3.8Å; I118-M243 HydrophobicContact CG2-SD 3.46Å; I118-M243 WeakPolarHBondContact CG2-SD 3.41Å; A119-M243 HydrophobicContact CB-CE 3.81Å; V131-M243 HydrophobicContact CG1-CE 3.57Å; V131-M243 HydrophobicContact CG1-SD 4.39Å; L132-M243 PolarHBondContact O-N 3.05Å; Y133-M243 HydrophobicContact CD2-CB 4.1Å; Y133-M243 HydrophobicContact CD2-CE 4.26Å; Y133-M243 HydrophobicContact CG-CE 4.29Å; C134-M243 PolarHBondContact N-O 3.48Å; L241-M243 HydrophobicContact CD1-CG 4.45Å; L241-M243 HydrophobicContact CD2-CG 4.1Å; L241-M243 HydrophobicContact CD2-SD 4.1Å; L241-M243 HydrophobicContact CG-CG 3.99Å; M243-L271 CarbonylContact C-O 3.51Å; M243-L271 VanDerWaalsContact CA-O 3.27Å; M243-L271 WeakPolarHBondContact CA-O 3.24Å; M243-L271 HydrophobicContact CG-CB 4.17Å; M243-L271 HydrophobicContact CG-CD2 4.25Å; M243-L271 HydrophobicContact SD-CD2 4.01Å
244	L	92.6	Very high	88.1	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129	179.6	-57.1	-180	0	0	0	109.8	C134 L231 L242 P247 L263 L270 L271 V272 V273	C134-L244 HydrophobicContact CB-CD2 3.63Å; L231-L244 HydrophobicContact CD1-CD1 4.06Å; L231-L244 HydrophobicContact CD1-CD2 3.67Å; L231-L244 HydrophobicContact CD1-CG 4.49Å; L242-L244 HydrophobicContact CD1-CD2 3.93Å; L242-L244 HydrophobicContact CD2-CD1 4.41Å; L242-L244 HydrophobicContact CD2-CD2 4.25Å; L242-L244 HydrophobicContact CD2-CG 4.37Å; L242-L244 HydrophobicContact CG-CD2 4.02Å; L242-L244 HydrophobicContact CG-CG 4.14Å; L244-P247 HydrophobicContact CB-CB 4.18Å; L244-P247 HydrophobicContact CB-CG 3.93Å; L244-P247 HydrophobicContact CD1-CB 4.29Å; L244-P247 HydrophobicContact CD1-CG 4.2Å; L244-L263 HydrophobicContact CD1-CD1 4.01Å; L244-L270 HydrophobicContact CD1-CD1 4.16Å; L244-L270 HydrophobicContact CG-CD1 4.35Å; L244-L271 PolarHBondContact N-O 2.51Å; L244-V272 HydrophobicContact CB-CG1 4.07Å; L244-V272 HydrophobicContact CB-CG2 4.24Å; L244-V272 HydrophobicContact CD1-CG2 4.22Å; L244-V272 WeakPolarHBondContact O-CA 3.41Å; L244-V273 PolarHBondContact O-N 2.61Å
245	D	90.6	Very high	88	Confident	7 Å²	7	17.8 Å²	17.8	4%	0.037	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	101.1	179.2	-162.2	1.3	0	0	0	111.3	T112 L115 Y133 Q136	T112-D245 WeakPolarHBondContact CB-OD2 3.12Å; T112-D245 VanDerWaalsContact CG2-OD2 3.29Å; T112-D245 WeakPolarHBondContact CG2-OD2 3.04Å; T112-D245 PolarHBondContact OG1-OD2 3.48Å; L115-D245 HydrophobicContact CD1-CB 3.77Å; Y133-D245 HydrophobicContact CE2-CB 3.92Å; Y133-D245 PolarHBondContact OH-OD2 3.21Å; Q136-D245 PolarHBondContact NE2-O 3.33Å; Q136-D245 VanDerWaalsContact NE2-O 3.1Å
246	E	88.1	Confident	87.8	Confident	10 Å²	10	18.5 Å²	18.5	5%	0.047	10%	0.098	C	C	.	.	S	Bend	trans	52.8	56.5	-175.3	-61	-65.3	154.5	0	0	113.5	T248 N249 V273 S274 H275	E246-T248 PolarHBondContact O-N 2.98Å; E246-T248 VanDerWaalsContact O-N 3.15Å; E246-N249 VanDerWaalsContact CB-ND2 3.34Å; E246-N249 WeakPolarHBondContact CB-ND2 3.39Å; E246-N249 PolarHBondContact O-N 3.38Å; E246-V273 VanDerWaalsContact CA-O 3.25Å; E246-V273 WeakPolarHBondContact CA-O 3.31Å; E246-V273 HydrophobicContact CG-CG1 4.37Å; E246-V273 PolarHBondContact N-O 3.22Å; E246-V273 WeakPolarHBondContact OE1-CG1 3.35Å; E246-S274 WeakPolarHBondContact OE1-CA 3.46Å; E246-S274 VanDerWaalsContact OE2-CA 3.29Å; E246-S274 WeakPolarHBondContact OE2-CA 3.42Å; E246-H275 IonicContact OE1-CD2 2.76Å; E246-H275 PolarHBondContact OE1-CD2 3.23Å; E246-H275 IonicContact OE1-CE1 2.66Å; E246-H275 IonicContact OE1-CG 2.81Å; E246-H275 PolarHBondContact OE1-N 3.39Å; E246-H275 IonicContact OE1-ND1 2.9Å; E246-H275 IonicContact OE1-NE2 3.08Å; E246-H275 PolarHBondContact OE1-NE2 3.15Å; E246-H275 IonicContact OE2-CD2 3.59Å; E246-H275 IonicContact OE2-CG 2.74Å; E246-H275 PolarHBondContact OE2-N 2.8Å
247	P	87.4	Confident	87.6	Confident	9 Å²	9	18.4 Å²	18.4	6%	0.058	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.3	-175.3	30.7	-37	0	0	0	113.4	L231 L244 N249 L251 L259 V272 V273 F279	L231-P247 HydrophobicContact CD1-CB 4.18Å; L231-P247 HydrophobicContact CD2-CB 4.35Å; L244-P247 HydrophobicContact CB-CB 4.18Å; L244-P247 HydrophobicContact CB-CG 3.93Å; L244-P247 HydrophobicContact CD1-CB 4.29Å; L244-P247 HydrophobicContact CD1-CG 4.2Å; P247-N249 VanDerWaalsContact C-N 3.33Å; P247-L251 WeakPolarHBondContact O-CD1 3.16Å; P247-L251 VanDerWaalsContact O-CG 3.25Å; P247-L251 WeakPolarHBondContact O-CG 3.35Å; P247-L259 HydrophobicContact CB-CD2 4.13Å; P247-L259 HydrophobicContact CG-CD2 4.45Å; P247-V272 HydrophobicContact CG-CG1 3.83Å; P247-V273 WeakPolarHBondContact CD-O 3.1Å; P247-F279 HydrophobicContact CG-CE1 4.47Å; P247-F279 HydrophobicContact CG-CZ 4.33Å
248	T	85.2	Confident	87.6	Confident	16 Å²	16	17.5 Å²	17.5	10%	0.098	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-19	178.9	48	0	0	0	0	112.8	E246 H250 L251 V256 S274 D276 F279	E246-T248 PolarHBondContact O-N 2.98Å; E246-T248 VanDerWaalsContact O-N 3.15Å; T248-H250 PolarHBondContact O-N 2.76Å; T248-L251 WeakPolarHBondContact O-CB 3.35Å; T248-L251 PolarHBondContact O-N 2.67Å; T248-V256 HydrophobicContact CG2-CG1 4.4Å; T248-S274 PolarHBondContact OG1-OG 2.85Å; T248-D276 HydrophobicContact CG2-CB 4.21Å; T248-F279 HydrophobicContact CG2-CB 4.2Å; T248-F279 HydrophobicContact CG2-CD1 4.33Å; T248-F279 HydrophobicContact CG2-CD2 4.04Å; T248-F279 HydrophobicContact CG2-CG 3.91Å
249	N	83	Confident	87.8	Confident	15 Å²	15	14.3 Å²	14.3	8%	0.08	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	138.8	178.1	-71.7	-11.1	0	0	0	110.4	M227 E246 P247 L251	M227-N249 HydrophobicContact CE-CB 4.09Å; M227-N249 WeakPolarHBondContact CE-O 3.3Å; E246-N249 VanDerWaalsContact CB-ND2 3.34Å; E246-N249 WeakPolarHBondContact CB-ND2 3.39Å; E246-N249 PolarHBondContact O-N 3.38Å; P247-N249 VanDerWaalsContact C-N 3.33Å; N249-L251 PolarHBondContact O-N 3.23Å
250	H	78.9	Confident	87.7	Confident	62 Å²	62	14.5 Å²	14.5	29%	0.287	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	8.2	-176.6	-45.9	-71.5	0	0	0	115.2	M227 R228 T248 N429	M227-H250 HydrophobicContact CE-CB 4.44Å; R228-H250 PolarHBondContact NE-O 2.96Å; R228-H250 PolarHBondContact NH2-O 3.35Å; T248-H250 PolarHBondContact O-N 2.76Å; H250-N429 PolarHBondContact O-ND2 2.99Å; H250-N429 VanDerWaalsContact O-ND2 3.16Å
251	L	84.5	Confident	87.7	Confident	7 Å²	7	14.2 Å²	14.2	4%	0.037	7%	0.072	C	C	.	.			trans	-84.5	140.6	168	-64.7	-169.4	0	0	0	110.2	R228 L231 P247 T248 N249 A255 V256 L259 H566	R228-L251 HydrophobicContact CG-CD2 3.61Å; L231-L251 HydrophobicContact CD2-CD1 4.27Å; P247-L251 WeakPolarHBondContact O-CD1 3.16Å; P247-L251 VanDerWaalsContact O-CG 3.25Å; P247-L251 WeakPolarHBondContact O-CG 3.35Å; T248-L251 WeakPolarHBondContact O-CB 3.35Å; T248-L251 PolarHBondContact O-N 2.67Å; N249-L251 PolarHBondContact O-N 3.23Å; L251-A255 HydrophobicContact CB-CB 4.29Å; L251-A255 HydrophobicContact CD1-CB 4.48Å; L251-A255 HydrophobicContact CD2-CB 4.14Å; L251-V256 HydrophobicContact CB-CG2 3.57Å; L251-V256 HydrophobicContact CD1-CG2 4.33Å; L251-L259 HydrophobicContact CD1-CD2 3.83Å; L251-H566 PolarHBondContact O-CD2 2.82Å
252	D	84.1	Confident	87.6	Confident	9 Å²	9	16.2 Å²	16.2	5%	0.048	8%	0.08	C	C	.	.			trans	-81.3	158.7	168.2	58.7	-45.5	0	0	0	109.2	R228 N254 A255 V256 N429	R228-D252 IonicContact CZ-OD1 2.65Å; R228-D252 VanDerWaalsContact CZ-OD1 3.31Å; R228-D252 IonicContact NH1-OD1 3.93Å; R228-D252 PolarHBondContact NH1-OD1 2.84Å; R228-D252 IonicContact NH2-OD1 3.76Å; R228-D252 PolarHBondContact NH2-OD1 3.19Å; D252-N254 PolarHBondContact O-N 2.94Å; D252-A255 PolarHBondContact O-N 2.72Å; D252-A255 WeakPolarHBondContact OD1-CB 3.44Å; D252-V256 WeakPolarHBondContact O-CG2 3.27Å; D252-V256 PolarHBondContact O-N 3.26Å; D252-N429 HydrophobicContact CB-CB 4.48Å
253	L	81.9	Confident	87.5	Confident	9 Å²	9	16.2 Å²	16.2	5%	0.047	8%	0.08	C	C	.	.	H	α-helix	trans	-53.5	-35.7	-176.3	-174.6	63.6	0	0	0	113	V256 I257 H566 F593 Y596 L600	L253-V256 PolarHBondContact O-N 3.3Å; L253-I257 HydrophobicContact CD1-CD1 4.28Å; L253-I257 HydrophobicContact CD1-CG1 4.42Å; L253-I257 HydrophobicContact CG-CD1 3.91Å; L253-I257 HydrophobicContact CG-CG1 4.48Å; L253-I257 WeakPolarHBondContact O-CD1 3.5Å; L253-I257 WeakPolarHBondContact O-CG1 3.35Å; L253-I257 PolarHBondContact O-N 3.18Å; L253-H566 PolarHBondContact N-ND1 3.34Å; L253-F593 HydrophobicContact CD1-CZ 3.87Å; L253-F593 HydrophobicContact CD2-CE1 4.45Å; L253-F593 HydrophobicContact CD2-CE2 3.77Å; L253-F593 HydrophobicContact CD2-CZ 3.47Å; L253-F593 VanDerWaalsContact CD2-CZ 3.47Å; L253-F593 HydrophobicContact CG-CZ 4.33Å; L253-Y596 HydrophobicContact CD2-CD1 3.88Å; L253-Y596 HydrophobicContact CD2-CE1 3.52Å; L253-L600 HydrophobicContact CD2-CD1 3.72Å; L253-L600 HydrophobicContact CG-CD1 4.18Å
254	N	83.7	Confident	87.3	Confident	36 Å²	36	20.1 Å²	20.1	19%	0.193	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-48.7	176.1	-67.9	-23.5	0	0	0	112.2	D252 V256 I257 W258 L600	D252-N254 PolarHBondContact O-N 2.94Å; N254-V256 VanDerWaalsContact C-N 3.33Å; N254-I257 PolarHBondContact O-N 3.3Å; N254-W258 PolarHBondContact O-N 3.19Å; N254-L600 VanDerWaalsContact OD1-CD1 3.3Å; N254-L600 WeakPolarHBondContact OD1-CD1 3.3Å; N254-L600 VanDerWaalsContact OD1-CD2 3.29Å; N254-L600 WeakPolarHBondContact OD1-CD2 3.42Å
255	A	87.1	Confident	87.1	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-35.6	178.3	0	0	0	0	0	111.7	L251 D252 W258 L259	L251-A255 HydrophobicContact CB-CB 4.29Å; L251-A255 HydrophobicContact CD1-CB 4.48Å; L251-A255 HydrophobicContact CD2-CB 4.14Å; D252-A255 PolarHBondContact O-N 2.72Å; D252-A255 WeakPolarHBondContact OD1-CB 3.44Å; A255-W258 PolarHBondContact O-N 2.89Å; A255-L259 VanDerWaalsContact O-CB 3.23Å; A255-L259 WeakPolarHBondContact O-CB 3.31Å; A255-L259 PolarHBondContact O-N 3.45Å
256	V	87.3	Confident	87.1	Confident	16 Å²	16	23.5 Å²	23.5	10%	0.097	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-47.8	174.3	176.4	0	0	0	0	110.7	T248 L251 D252 L253 N254 W258 L259 D260	T248-V256 HydrophobicContact CG2-CG1 4.4Å; L251-V256 HydrophobicContact CB-CG2 3.57Å; L251-V256 HydrophobicContact CD1-CG2 4.33Å; D252-V256 WeakPolarHBondContact O-CG2 3.27Å; D252-V256 PolarHBondContact O-N 3.26Å; L253-V256 PolarHBondContact O-N 3.3Å; N254-V256 VanDerWaalsContact C-N 3.33Å; V256-W258 VanDerWaalsContact C-N 3.32Å; V256-W258 PolarHBondContact O-N 3.41Å; V256-L259 PolarHBondContact O-N 3.49Å; V256-D260 VanDerWaalsContact O-CB 3.25Å; V256-D260 WeakPolarHBondContact O-CB 3.41Å; V256-D260 PolarHBondContact O-N 2.99Å
257	I	86.5	Confident	87.1	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-40.8	177.9	-67.6	163.8	0	0	0	111	L253 N254 N261 R597 L600 L601	L253-I257 HydrophobicContact CD1-CD1 4.28Å; L253-I257 HydrophobicContact CD1-CG1 4.42Å; L253-I257 HydrophobicContact CG-CD1 3.91Å; L253-I257 HydrophobicContact CG-CG1 4.48Å; L253-I257 WeakPolarHBondContact O-CD1 3.5Å; L253-I257 WeakPolarHBondContact O-CG1 3.35Å; L253-I257 PolarHBondContact O-N 3.18Å; N254-I257 PolarHBondContact O-N 3.3Å; I257-N261 PolarHBondContact O-N 2.71Å; I257-N261 VanDerWaalsContact O-N 3.12Å; I257-N261 PolarHBondContact O-ND2 3.49Å; I257-R597 HydrophobicContact CD1-CG 3.91Å; I257-L600 HydrophobicContact CD1-CB 4.48Å; I257-L600 HydrophobicContact CD1-CD1 4.37Å; I257-L601 HydrophobicContact CG2-CD1 3.76Å
258	W	89.7	Confident	87.2	Confident	37 Å²	37	35.5 Å²	35.5	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-47.9	176	179.7	88.4	0	0	0	111.4	I203 G206 L207 L235 N254 A255 V256 D260 N261 Y262	I203-W258 HydrophobicContact CB-CH2 4.26Å; I203-W258 HydrophobicContact CG1-CH2 4.29Å; I203-W258 HydrophobicContact CG2-CH2 4Å; G206-W258 VanDerWaalsContact CA-CD2 3.48Å; G206-W258 VanDerWaalsContact CA-CE2 3.48Å; G206-W258 WeakPolarHBondContact O-CB 3.49Å; L207-W258 HydrophobicContact CD2-CE3 3.87Å; L207-W258 HydrophobicContact CD2-CZ3 3.73Å; L207-W258 HydrophobicContact CG-CE3 4.16Å; L207-W258 HydrophobicContact CG-CZ3 3.78Å; L235-W258 HydrophobicContact CD1-CH2 4.17Å; L235-W258 HydrophobicContact CD1-CZ3 3.89Å; N254-W258 PolarHBondContact O-N 3.19Å; A255-W258 PolarHBondContact O-N 2.89Å; V256-W258 VanDerWaalsContact C-N 3.32Å; V256-W258 PolarHBondContact O-N 3.41Å; W258-D260 VanDerWaalsContact C-N 3.34Å; W258-D260 PolarHBondContact O-N 2.96Å; W258-N261 PolarHBondContact O-N 3.18Å; W258-Y262 HydrophobicContact CH2-CD1 4.33Å; W258-Y262 AromaticContact CH2-CD2 3.73Å; W258-Y262 HydrophobicContact CH2-CD2 3.73Å; W258-Y262 HydrophobicContact CH2-CE2 4.17Å; W258-Y262 AromaticContact CH2-CG 3.83Å; W258-Y262 HydrophobicContact CH2-CG 3.83Å; W258-Y262 AromaticContact CZ2-CD2 3.57Å; W258-Y262 HydrophobicContact CZ2-CD2 3.57Å; W258-Y262 HydrophobicContact CZ2-CE2 4.1Å; W258-Y262 HydrophobicContact CZ2-CG 4.05Å; W258-Y262 HydrophobicContact CZ3-CG 4.28Å; W258-Y262 WeakPolarHBondContact O-CB 3.47Å; W258-Y262 PolarHBondContact O-N 3.04Å
259	L	91	Very high	87.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-42.9	-179.9	-178.5	66.3	0	0	0	111.5	L231 L235 P247 L251 A255 V256 Y262 L263 F279	L231-L259 HydrophobicContact CD2-CD1 4.13Å; L231-L259 HydrophobicContact CD2-CD2 3.95Å; L235-L259 HydrophobicContact CD1-CD1 3.78Å; L235-L259 HydrophobicContact CD2-CD1 4.38Å; P247-L259 HydrophobicContact CB-CD2 4.13Å; P247-L259 HydrophobicContact CG-CD2 4.45Å; L251-L259 HydrophobicContact CD1-CD2 3.83Å; A255-L259 VanDerWaalsContact O-CB 3.23Å; A255-L259 WeakPolarHBondContact O-CB 3.31Å; A255-L259 PolarHBondContact O-N 3.45Å; V256-L259 PolarHBondContact O-N 3.49Å; L259-Y262 PolarHBondContact O-N 3.05Å; L259-L263 HydrophobicContact CD1-CD1 3.79Å; L259-L263 HydrophobicContact CD1-CG 4.01Å; L259-L263 HydrophobicContact CD2-CD1 4.43Å; L259-L263 HydrophobicContact CG-CD1 3.82Å; L259-L263 HydrophobicContact CG-CG 4.35Å; L259-L263 WeakPolarHBondContact O-CB 3.42Å; L259-L263 WeakPolarHBondContact O-CG 3.5Å; L259-L263 PolarHBondContact O-N 3.23Å; L259-F279 HydrophobicContact CD2-CE2 3.98Å; L259-F279 HydrophobicContact CD2-CZ 4.4Å; L259-F279 HydrophobicContact CG-CE2 4.08Å
260	D	89.9	Confident	88.1	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.032	18%	0.175	C	C	.	.	H	α-helix	trans	-54.8	-55.8	174.5	178.6	19.3	0	0	0	110.6	V256 W258 Y262 L263 Q264 F279 S282 V283 R597	V256-D260 VanDerWaalsContact O-CB 3.25Å; V256-D260 WeakPolarHBondContact O-CB 3.41Å; V256-D260 PolarHBondContact O-N 2.99Å; W258-D260 VanDerWaalsContact C-N 3.34Å; W258-D260 PolarHBondContact O-N 2.96Å; D260-Y262 VanDerWaalsContact C-N 3.31Å; D260-Y262 PolarHBondContact O-N 2.9Å; D260-L263 PolarHBondContact O-N 2.77Å; D260-Q264 VanDerWaalsContact O-CG 3.31Å; D260-Q264 WeakPolarHBondContact O-CG 3.31Å; D260-Q264 PolarHBondContact O-N 3.26Å; D260-Q264 PolarHBondContact OD1-NE2 2.74Å; D260-Q264 VanDerWaalsContact OD1-NE2 3.14Å; D260-F279 HydrophobicContact CB-CD2 4.38Å; D260-S282 VanDerWaalsContact CG-OG 3.23Å; D260-S282 WeakPolarHBondContact OD1-CB 3.16Å; D260-S282 PolarHBondContact OD1-OG 3.2Å; D260-S282 PolarHBondContact OD2-OG 3.13Å; D260-V283 WeakPolarHBondContact OD1-CG2 3.34Å; D260-R597 IonicContact OD2-NH2 2.64Å
261	N	88.9	Confident	88.9	Confident	48 Å²	48	32 Å²	32	26%	0.257	16%	0.162	S	C	.	.	H	α-helix	trans	-61.9	-37.1	178	-71.4	-51.1	0	0	0	113.1	I257 W258 M607	I257-N261 PolarHBondContact O-N 2.71Å; I257-N261 VanDerWaalsContact O-N 3.12Å; I257-N261 PolarHBondContact O-ND2 3.49Å; W258-N261 PolarHBondContact O-N 3.18Å; N261-M607 HydrophobicContact CB-CE 3.61Å
262	Y	90.9	Very high	89.3	Confident	43 Å²	43	31.6 Å²	31.6	17%	0.169	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-45.6	178.9	-170.9	-92.3	0	0	0	111.4	I203 L235 W258 L259 D260 G265 W266	I203-Y262 HydrophobicContact CG1-CE2 4.45Å; L235-Y262 HydrophobicContact CB-CE1 4.05Å; L235-Y262 HydrophobicContact CD1-CD1 4.26Å; L235-Y262 HydrophobicContact CD1-CE1 4.29Å; L235-Y262 HydrophobicContact CD2-CD1 4.05Å; L235-Y262 HydrophobicContact CD2-CE1 3.92Å; L235-Y262 HydrophobicContact CG-CE1 4.3Å; W258-Y262 HydrophobicContact CH2-CD1 4.33Å; W258-Y262 AromaticContact CH2-CD2 3.73Å; W258-Y262 HydrophobicContact CH2-CD2 3.73Å; W258-Y262 HydrophobicContact CH2-CE2 4.17Å; W258-Y262 AromaticContact CH2-CG 3.83Å; W258-Y262 HydrophobicContact CH2-CG 3.83Å; W258-Y262 AromaticContact CZ2-CD2 3.57Å; W258-Y262 HydrophobicContact CZ2-CD2 3.57Å; W258-Y262 HydrophobicContact CZ2-CE2 4.1Å; W258-Y262 HydrophobicContact CZ2-CG 4.05Å; W258-Y262 HydrophobicContact CZ3-CG 4.28Å; W258-Y262 WeakPolarHBondContact O-CB 3.47Å; W258-Y262 PolarHBondContact O-N 3.04Å; L259-Y262 PolarHBondContact O-N 3.05Å; D260-Y262 VanDerWaalsContact C-N 3.31Å; D260-Y262 PolarHBondContact O-N 2.9Å; Y262-G265 PolarHBondContact O-N 3.01Å; Y262-W266 HydrophobicContact CE1-CE3 4.19Å; Y262-W266 AromaticContact CE1-CZ3 3.92Å; Y262-W266 HydrophobicContact CE1-CZ3 3.92Å
263	L	92.1	Very high	89.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-76.1	-23.8	-179.8	-67.9	175.9	0	0	0	113.3	R100 L235 L244 L259 D260 G265 W266 L270 F279 V283	R100-L263 PolarHBondContact NH1-O 3.38Å; L235-L263 HydrophobicContact CD2-CD2 3.8Å; L244-L263 HydrophobicContact CD1-CD1 4.01Å; L259-L263 HydrophobicContact CD1-CD1 3.79Å; L259-L263 HydrophobicContact CD1-CG 4.01Å; L259-L263 HydrophobicContact CD2-CD1 4.43Å; L259-L263 HydrophobicContact CG-CD1 3.82Å; L259-L263 HydrophobicContact CG-CG 4.35Å; L259-L263 WeakPolarHBondContact O-CB 3.42Å; L259-L263 WeakPolarHBondContact O-CG 3.5Å; L259-L263 PolarHBondContact O-N 3.23Å; D260-L263 PolarHBondContact O-N 2.77Å; L263-G265 PolarHBondContact O-N 3.26Å; L263-W266 HydrophobicContact CD2-CD2 4.43Å; L263-W266 HydrophobicContact CD2-CE3 4.31Å; L263-W266 WeakPolarHBondContact O-CB 3.46Å; L263-W266 PolarHBondContact O-N 3.27Å; L263-L270 HydrophobicContact CB-CD2 4.33Å; L263-L270 HydrophobicContact CD1-CD2 4.34Å; L263-L270 HydrophobicContact CD2-CD1 4.32Å; L263-L270 HydrophobicContact CD2-CD2 4.09Å; L263-F279 HydrophobicContact CD1-CE2 3.98Å; L263-F279 HydrophobicContact CD1-CZ 3.59Å; L263-V283 HydrophobicContact CB-CG1 3.72Å; L263-V283 HydrophobicContact CB-CG2 4Å
264	Q	90.1	Very high	90	Very high	83 Å²	83	30.9 Å²	30.9	39%	0.388	16%	0.156	S	C	.	.	H	α-helix	trans	-58.8	-30.5	167.6	-79.9	177	41.4	0	0	112.4	R100 D260 W266 S282	R100-Q264 VanDerWaalsContact NH1-CA 3.31Å; R100-Q264 PolarHBondContact NH1-O 2.77Å; D260-Q264 VanDerWaalsContact O-CG 3.31Å; D260-Q264 WeakPolarHBondContact O-CG 3.31Å; D260-Q264 PolarHBondContact O-N 3.26Å; D260-Q264 PolarHBondContact OD1-NE2 2.74Å; D260-Q264 VanDerWaalsContact OD1-NE2 3.14Å; Q264-W266 VanDerWaalsContact C-N 3.35Å; Q264-S282 PolarHBondContact NE2-OG 3.32Å
265	G	87.7	Confident	90	Very high	55 Å²	55	29.9 Å²	29.9	57%	0.567	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.7	174.5	0	0	0	0	0	114.7	Y262 L263 K267	Y262-G265 PolarHBondContact O-N 3.01Å; L263-G265 PolarHBondContact O-N 3.26Å; G265-K267 PolarHBondContact O-N 2.85Å
266	W	90.8	Very high	90	Very high	23 Å²	23	31 Å²	31	9%	0.087	16%	0.157	C	C	.	.			trans	-68.4	118.3	-175	-162.2	-103.5	0	0	0	111.5	L235 E238 L242 Y262 L263 Q264	L235-W266 HydrophobicContact CD2-CZ3 4.4Å; E238-W266 HydrophobicContact CB-CH2 3.98Å; E238-W266 HydrophobicContact CB-CZ2 4.45Å; E238-W266 HydrophobicContact CG-CH2 3.74Å; E238-W266 HydrophobicContact CG-CZ3 4.02Å; L242-W266 HydrophobicContact CB-CZ2 4.01Å; L242-W266 HydrophobicContact CD2-CH2 3.88Å; L242-W266 HydrophobicContact CD2-CZ2 3.64Å; L242-W266 HydrophobicContact CG-CZ2 4.46Å; Y262-W266 HydrophobicContact CE1-CE3 4.19Å; Y262-W266 AromaticContact CE1-CZ3 3.92Å; Y262-W266 HydrophobicContact CE1-CZ3 3.92Å; L263-W266 HydrophobicContact CD2-CD2 4.43Å; L263-W266 HydrophobicContact CD2-CE3 4.31Å; L263-W266 WeakPolarHBondContact O-CB 3.46Å; L263-W266 PolarHBondContact O-N 3.27Å; Q264-W266 VanDerWaalsContact C-N 3.35Å
267	K	87.9	Confident	90	Very high	191 Å²	191	31.7 Å²	31.7	83%	0.83	16%	0.159	S	C	*	.			trans	-89.8	-20.4	-176	-60.7	-179.3	-177.6	175.7	0	113.8	G265	G265-K267 PolarHBondContact O-N 2.85Å
268	K	90.7	Very high	89.9	Confident	81 Å²	81	33 Å²	33	35%	0.352	17%	0.168	S	C	.	.	S	Bend	trans	-90.6	-177.9	-177	-63.7	179.1	179.2	167	0	110.1	E238 P239	E238-K268 HydrophobicContact CB-CD 4.46Å; E238-K268 WeakPolarHBondContact O-CD 3.33Å; E238-K268 PolarHBondContact O-NZ 3.32Å; E238-K268 IonicContact OE2-NZ 3.39Å; P239-K268 WeakPolarHBondContact O-CD 3.43Å
269	T	92.5	Very high	89.9	Confident	15 Å²	15	31.3 Å²	31.3	9%	0.092	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.2	178.9	-47.3	0	0	0	0	109.8	I95 A97 G98 R99 T240 L241 L242	I95-T269 HydrophobicContact CG2-CG2 3.41Å; I95-T269 VanDerWaalsContact CG2-CG2 3.41Å; A97-T269 WeakPolarHBondContact CA-OG1 3.3Å; G98-T269 PolarHBondContact N-OG1 2.96Å; R99-T269 WeakPolarHBondContact O-CA 3.26Å; T240-T269 VanDerWaalsContact O-CB 3.28Å; T240-T269 WeakPolarHBondContact O-CB 3.45Å; T240-T269 PolarHBondContact O-N 3.33Å; T240-T269 VanDerWaalsContact O-N 3.09Å; T240-T269 PolarHBondContact O-OG1 2.74Å; L241-T269 HydrophobicContact CD1-CG2 3.62Å; L242-T269 PolarHBondContact N-O 2.86Å
270	L	94.6	Very high	89.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.4	179.5	-179.6	68.4	0	0	0	109.1	R99 R100 Y101 L242 L244 L263 V272 V283	R99-L270 PolarHBondContact O-N 3.49Å; R100-L270 CarbonylContact C-O 3.5Å; R100-L270 WeakPolarHBondContact CA-O 3.3Å; R100-L270 HydrophobicContact CB-CB 4.18Å; R100-L270 HydrophobicContact CB-CD2 4.37Å; R100-L270 HydrophobicContact CG-CB 3.93Å; R100-L270 HydrophobicContact CG-CD2 4.28Å; Y101-L270 PolarHBondContact N-O 3.11Å; L242-L270 HydrophobicContact CB-CD1 3.95Å; L242-L270 HydrophobicContact CD2-CD1 3.88Å; L242-L270 HydrophobicContact CG-CD1 3.9Å; L242-L270 WeakPolarHBondContact O-CA 3.45Å; L244-L270 HydrophobicContact CD1-CD1 4.16Å; L244-L270 HydrophobicContact CG-CD1 4.35Å; L263-L270 HydrophobicContact CB-CD2 4.33Å; L263-L270 HydrophobicContact CD1-CD2 4.34Å; L263-L270 HydrophobicContact CD2-CD1 4.32Å; L263-L270 HydrophobicContact CD2-CD2 4.09Å; L270-V272 HydrophobicContact CD1-CG2 3.78Å; L270-V272 HydrophobicContact CD2-CG2 3.69Å; L270-V272 HydrophobicContact CG-CG2 3.56Å; L270-V283 HydrophobicContact CD2-CG1 3.6Å
271	L	94.4	Very high	89.9	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112.4	170.4	177.4	64.1	0	0	0	108.1	I95 Y101 L103 L115 I118 L241 L242 M243 L244 I288	I95-L271 HydrophobicContact CD1-CD2 4.15Å; Y101-L271 CarbonylContact O-C 3.54Å; Y101-L271 WeakPolarHBondContact O-CA 3.49Å; L103-L271 HydrophobicContact CB-CD1 4.09Å; L115-L271 HydrophobicContact CD2-CD2 3.45Å; L115-L271 VanDerWaalsContact CD2-CD2 3.45Å; L115-L271 HydrophobicContact CD2-CG 4.01Å; I118-L271 HydrophobicContact CD1-CD2 4.29Å; L241-L271 HydrophobicContact CD1-CB 4.3Å; L242-L271 PolarHBondContact O-N 3.44Å; M243-L271 CarbonylContact C-O 3.51Å; M243-L271 VanDerWaalsContact CA-O 3.27Å; M243-L271 WeakPolarHBondContact CA-O 3.24Å; M243-L271 HydrophobicContact CG-CB 4.17Å; M243-L271 HydrophobicContact CG-CD2 4.25Å; M243-L271 HydrophobicContact SD-CD2 4.01Å; L244-L271 PolarHBondContact N-O 2.51Å; L271-I288 HydrophobicContact CD1-CD1 4.12Å
272	V	93.6	Very high	90	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.6	179.6	-170.6	0	0	0	0	110.5	Y101 G102 L103 L244 P247 L270 F279	Y101-V272 PolarHBondContact O-N 3.23Å; G102-V272 CarbonylContact C-O 3.44Å; G102-V272 WeakPolarHBondContact CA-O 3.43Å; L103-V272 PolarHBondContact N-O 2.81Å; L244-V272 HydrophobicContact CB-CG1 4.07Å; L244-V272 HydrophobicContact CB-CG2 4.24Å; L244-V272 HydrophobicContact CD1-CG2 4.22Å; L244-V272 WeakPolarHBondContact O-CA 3.41Å; P247-V272 HydrophobicContact CG-CG1 3.83Å; L270-V272 HydrophobicContact CD1-CG2 3.78Å; L270-V272 HydrophobicContact CD2-CG2 3.69Å; L270-V272 HydrophobicContact CG-CG2 3.56Å; V272-F279 HydrophobicContact CB-CE1 4.32Å; V272-F279 HydrophobicContact CG1-CE1 3.67Å; V272-F279 HydrophobicContact CG1-CZ 4.37Å; V272-F279 HydrophobicContact CG2-CE1 4.42Å
273	V	91.8	Very high	90	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	122	159.5	177.5	0	0	0	0	106.2	L103 K111 L115 L244 E246 P247	L103-V273 HydrophobicContact CB-CG2 3.73Å; L103-V273 HydrophobicContact CD2-CG2 3.67Å; L103-V273 HydrophobicContact CG-CG2 3.91Å; K111-V273 HydrophobicContact CB-CG1 4.41Å; K111-V273 HydrophobicContact CB-CG2 4.36Å; K111-V273 HydrophobicContact CD-CG1 4.03Å; L115-V273 HydrophobicContact CD1-CB 4.44Å; L115-V273 HydrophobicContact CD1-CG2 3.7Å; L115-V273 HydrophobicContact CG-CG2 4.3Å; L244-V273 PolarHBondContact O-N 2.61Å; E246-V273 VanDerWaalsContact CA-O 3.25Å; E246-V273 WeakPolarHBondContact CA-O 3.31Å; E246-V273 HydrophobicContact CG-CG1 4.37Å; E246-V273 PolarHBondContact N-O 3.22Å; E246-V273 WeakPolarHBondContact OE1-CG1 3.35Å; P247-V273 WeakPolarHBondContact CD-O 3.1Å
274	S	88.7	Confident	90	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.168	C	C	.	.			trans	-149.4	146.1	173.7	179.7	0	0	0	0	109.5	E246 T248 D276 L280	E246-S274 WeakPolarHBondContact OE1-CA 3.46Å; E246-S274 VanDerWaalsContact OE2-CA 3.29Å; E246-S274 WeakPolarHBondContact OE2-CA 3.42Å; T248-S274 PolarHBondContact OG1-OG 2.85Å; S274-D276 PolarHBondContact OG-N 3.5Å; S274-D276 VanDerWaalsContact OG-N 3.1Å; S274-L280 WeakPolarHBondContact O-CD1 3.48Å
275	H	84.3	Confident	90	Very high	16 Å²	16	29.6 Å²	29.6	7%	0.074	16%	0.164	C	C	.	.	S	Bend	trans	-91.6	-4.4	169.2	-69	-54.2	0	0	0	113.5	N107 E246 Q277 L542 I544	N107-H275 PolarHBondContact OD1-NE2 3.04Å; N107-H275 VanDerWaalsContact OD1-NE2 3.15Å; E246-H275 IonicContact OE1-CD2 2.76Å; E246-H275 PolarHBondContact OE1-CD2 3.23Å; E246-H275 IonicContact OE1-CE1 2.66Å; E246-H275 IonicContact OE1-CG 2.81Å; E246-H275 PolarHBondContact OE1-N 3.39Å; E246-H275 IonicContact OE1-ND1 2.9Å; E246-H275 IonicContact OE1-NE2 3.08Å; E246-H275 PolarHBondContact OE1-NE2 3.15Å; E246-H275 IonicContact OE2-CD2 3.59Å; E246-H275 IonicContact OE2-CG 2.74Å; E246-H275 PolarHBondContact OE2-N 2.8Å; H275-Q277 PolarHBondContact O-N 3.18Å; H275-L542 PolarHBondContact CD2-O 3.17Å; H275-L542 VanDerWaalsContact CG-O 3.24Å; H275-I544 HydrophobicContact CB-CG1 4.22Å; H275-I544 WeakPolarHBondContact O-CG1 3.2Å
276	D	86.8	Confident	90.2	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.134	14%	0.14	C	C	.	.			trans	-83.1	111.8	176.2	-178.4	-15.1	0	0	0	111	T248 S274 S278 F279 L280	T248-D276 HydrophobicContact CG2-CB 4.21Å; S274-D276 PolarHBondContact OG-N 3.5Å; S274-D276 VanDerWaalsContact OG-N 3.1Å; D276-S278 PolarHBondContact O-N 2.74Å; D276-S278 WeakPolarHBondContact OD1-CA 3.48Å; D276-S278 WeakPolarHBondContact OD1-CB 3.44Å; D276-S278 PolarHBondContact OD1-N 3.13Å; D276-F279 HydrophobicContact CB-CB 3.82Å; D276-F279 PolarHBondContact OD1-N 3.09Å; D276-F279 VanDerWaalsContact OD1-N 3.1Å; D276-L280 VanDerWaalsContact O-CG 3.31Å; D276-L280 WeakPolarHBondContact O-CG 3.41Å; D276-L280 PolarHBondContact O-N 2.89Å
277	Q	87	Confident	90.4	Very high	30 Å²	30	26.6 Å²	26.6	14%	0.14	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-38.6	179.6	-63.3	-167.9	-2.4	0	0	112.8	H275 L280 D281 Y302 I544 R569	H275-Q277 PolarHBondContact O-N 3.18Å; Q277-L280 PolarHBondContact O-N 3.42Å; Q277-D281 VanDerWaalsContact O-CB 3.24Å; Q277-D281 WeakPolarHBondContact O-CB 3.3Å; Q277-D281 PolarHBondContact O-N 2.84Å; Q277-Y302 HydrophobicContact CB-CD1 3.89Å; Q277-Y302 HydrophobicContact CB-CE1 3.89Å; Q277-Y302 HydrophobicContact CG-CD1 3.92Å; Q277-Y302 HydrophobicContact CG-CE1 3.39Å; Q277-Y302 PolarHBondContact NE2-OH 3.13Å; Q277-I544 HydrophobicContact CG-CG2 4.35Å; Q277-R569 VanDerWaalsContact CD-NH1 3.31Å; Q277-R569 VanDerWaalsContact NE2-CZ 3.27Å
278	S	85.3	Confident	90.6	Very high	34 Å²	34	17.6 Å²	17.6	24%	0.238	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-43.2	-178.1	-63.4	0	0	0	0	110.1	D276 D281 S282	D276-S278 PolarHBondContact O-N 2.74Å; D276-S278 WeakPolarHBondContact OD1-CA 3.48Å; D276-S278 WeakPolarHBondContact OD1-CB 3.44Å; D276-S278 PolarHBondContact OD1-N 3.13Å; S278-D281 PolarHBondContact O-N 3.26Å; S278-S282 VanDerWaalsContact O-CB 3.3Å; S278-S282 WeakPolarHBondContact O-CB 3.42Å; S278-S282 PolarHBondContact O-N 2.9Å; S278-S282 VanDerWaalsContact O-N 3.16Å
279	F	89.4	Confident	90.6	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-61.8	-48.4	174.1	177.8	-92.6	0	0	0	111.8	P247 T248 L259 D260 L263 V272 D276 D281 S282 V283	P247-F279 HydrophobicContact CG-CE1 4.47Å; P247-F279 HydrophobicContact CG-CZ 4.33Å; T248-F279 HydrophobicContact CG2-CB 4.2Å; T248-F279 HydrophobicContact CG2-CD1 4.33Å; T248-F279 HydrophobicContact CG2-CD2 4.04Å; T248-F279 HydrophobicContact CG2-CG 3.91Å; L259-F279 HydrophobicContact CD2-CE2 3.98Å; L259-F279 HydrophobicContact CD2-CZ 4.4Å; L259-F279 HydrophobicContact CG-CE2 4.08Å; D260-F279 HydrophobicContact CB-CD2 4.38Å; L263-F279 HydrophobicContact CD1-CE2 3.98Å; L263-F279 HydrophobicContact CD1-CZ 3.59Å; V272-F279 HydrophobicContact CB-CE1 4.32Å; V272-F279 HydrophobicContact CG1-CE1 3.67Å; V272-F279 HydrophobicContact CG1-CZ 4.37Å; V272-F279 HydrophobicContact CG2-CE1 4.42Å; D276-F279 HydrophobicContact CB-CB 3.82Å; D276-F279 PolarHBondContact OD1-N 3.09Å; D276-F279 VanDerWaalsContact OD1-N 3.1Å; F279-D281 PolarHBondContact O-N 2.93Å; F279-S282 PolarHBondContact O-N 3.46Å; F279-V283 HydrophobicContact CD2-CG2 4.23Å; F279-V283 HydrophobicContact CE1-CG2 4.5Å; F279-V283 HydrophobicContact CE2-CG2 3.93Å; F279-V283 HydrophobicContact CZ-CG2 4.08Å; F279-V283 WeakPolarHBondContact O-CB 3.29Å; F279-V283 PolarHBondContact O-N 2.78Å
280	L	90.2	Very high	90.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-39	177.7	-70.8	179.3	0	0	0	112.6	V104 S274 D276 Q277 S282 C284 Y302	V104-L280 HydrophobicContact CG1-CD1 3.61Å; S274-L280 WeakPolarHBondContact O-CD1 3.48Å; D276-L280 VanDerWaalsContact O-CG 3.31Å; D276-L280 WeakPolarHBondContact O-CG 3.41Å; D276-L280 PolarHBondContact O-N 2.89Å; Q277-L280 PolarHBondContact O-N 3.42Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.48Å; L280-C284 VanDerWaalsContact CD2-SG 3.59Å; L280-C284 WeakPolarHBondContact O-CB 3.44Å; L280-C284 PolarHBondContact O-N 3.25Å; L280-Y302 HydrophobicContact CB-CD2 4.31Å; L280-Y302 HydrophobicContact CB-CG 4.23Å; L280-Y302 HydrophobicContact CD1-CD2 3.78Å; L280-Y302 HydrophobicContact CD1-CE2 4.21Å; L280-Y302 HydrophobicContact CD1-CG 4.43Å
281	D	91	Very high	89.9	Confident	50 Å²	50	17 Å²	17	27%	0.267	10%	0.095	S	C	.	.	H	α-helix	trans	-66	-33.6	-179.1	-161	68.9	0	0	0	112.4	Q277 S278 F279 N301 Y302 S303	Q277-D281 VanDerWaalsContact O-CB 3.24Å; Q277-D281 WeakPolarHBondContact O-CB 3.3Å; Q277-D281 PolarHBondContact O-N 2.84Å; S278-D281 PolarHBondContact O-N 3.26Å; F279-D281 PolarHBondContact O-N 2.93Å; D281-N301 VanDerWaalsContact CG-ND2 3.31Å; D281-N301 WeakPolarHBondContact O-CB 3.43Å; D281-N301 PolarHBondContact OD1-ND2 3.33Å; D281-N301 PolarHBondContact OD1-OD1 2.96Å; D281-N301 PolarHBondContact OD2-ND2 3.42Å; D281-Y302 PolarHBondContact OD1-N 3Å; D281-S303 WeakPolarHBondContact OD1-CB 3.22Å; D281-S303 PolarHBondContact OD1-N 3.37Å; D281-S303 PolarHBondContact OD1-OG 3.17Å
282	S	89.2	Confident	89.2	Confident	39 Å²	39	21.8 Å²	21.8	27%	0.273	12%	0.124	S	C	.	.	H	α-helix	trans	-84.4	-42.7	-176.5	-179.2	0	0	0	0	113	D260 Q264 S278 F279 L280	D260-S282 VanDerWaalsContact CG-OG 3.23Å; D260-S282 WeakPolarHBondContact OD1-CB 3.16Å; D260-S282 PolarHBondContact OD1-OG 3.2Å; D260-S282 PolarHBondContact OD2-OG 3.13Å; Q264-S282 PolarHBondContact NE2-OG 3.32Å; S278-S282 VanDerWaalsContact O-CB 3.3Å; S278-S282 WeakPolarHBondContact O-CB 3.42Å; S278-S282 PolarHBondContact O-N 2.9Å; S278-S282 VanDerWaalsContact O-N 3.16Å; F279-S282 PolarHBondContact O-N 3.46Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.48Å
283	V	91	Very high	88.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-89.1	-39.2	-175.3	179.5	0	0	0	0	112.7	R100 D260 L263 L270 F279	R100-V283 WeakPolarHBondContact CD-O 3.46Å; R100-V283 PolarHBondContact NE-O 2.87Å; D260-V283 WeakPolarHBondContact OD1-CG2 3.34Å; L263-V283 HydrophobicContact CB-CG1 3.72Å; L263-V283 HydrophobicContact CB-CG2 4Å; L270-V283 HydrophobicContact CD2-CG1 3.6Å; F279-V283 HydrophobicContact CD2-CG2 4.23Å; F279-V283 HydrophobicContact CE1-CG2 4.5Å; F279-V283 HydrophobicContact CE2-CG2 3.93Å; F279-V283 HydrophobicContact CZ-CG2 4.08Å; F279-V283 WeakPolarHBondContact O-CB 3.29Å; F279-V283 PolarHBondContact O-N 2.78Å
284	C	92.3	Very high	88.4	Confident	7 Å²	7	30.1 Å²	30.1	5%	0.047	16%	0.162	C	C	.	.			trans	-84	136.4	-167.1	-58.3	0	0	0	0	113	G102 L280	G102-C284 VanDerWaalsContact CA-SG 3.55Å; L280-C284 VanDerWaalsContact CD2-SG 3.59Å; L280-C284 WeakPolarHBondContact O-CB 3.44Å; L280-C284 PolarHBondContact O-N 3.25Å
285	T	89.9	Confident	88.4	Confident	48 Å²	48	30.8 Å²	30.8	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	-94.3	-26.9	172.7	57.9	0	0	0	0	112.5	R100 G300	R100-T285 HydrophobicContact CB-CG2 4.48Å; R100-T285 PolarHBondContact N-OG1 2.75Å; R100-T285 VanDerWaalsContact N-OG1 3.09Å; R100-T285 PolarHBondContact O-N 3Å; R100-T285 PolarHBondContact O-OG1 2.75Å; T285-G300 CarbonylContact C-O 3.57Å; T285-G300 CarbonylContact O-C 3.51Å; T285-G300 WeakPolarHBondContact O-CA 3.06Å; T285-G300 PolarHBondContact O-N 2.91Å
286	D	93.3	Very high	88.6	Confident	14 Å²	14	32.9 Å²	32.9	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.5	-177.7	-57.8	-108.1	0	0	0	108.6	R99 R100 Y101 G102 Y298	R99-D286 WeakPolarHBondContact CD-OD2 3.41Å; R99-D286 IonicContact NH1-OD1 2.8Å; R99-D286 PolarHBondContact NH1-OD1 3.35Å; R99-D286 IonicContact NH1-OD2 2.71Å; R100-D286 PolarHBondContact O-N 2.91Å; Y101-D286 CarbonylContact C-O 3.59Å; Y101-D286 VanDerWaalsContact CA-O 3.28Å; Y101-D286 WeakPolarHBondContact CA-O 3.35Å; Y101-D286 HydrophobicContact CD1-CB 3.55Å; Y101-D286 HydrophobicContact CE1-CB 3.58Å; Y101-D286 HydrophobicContact CG-CB 4.44Å; G102-D286 PolarHBondContact N-O 3.19Å; D286-Y298 CarbonylContact C-O 3.59Å; D286-Y298 WeakPolarHBondContact CA-O 3.3Å
287	V	93.5	Very high	88.9	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.2	178.4	179.6	0	0	0	0	109.5	G102 V104 Y298 F305	G102-V287 CarbonylContact O-C 3.34Å; G102-V287 WeakPolarHBondContact O-CA 3.41Å; V104-V287 HydrophobicContact CB-CG1 4.46Å; V104-V287 HydrophobicContact CG1-CG1 4.14Å; V104-V287 HydrophobicContact CG2-CG1 3.48Å; V104-V287 VanDerWaalsContact CG2-CG1 3.48Å; V287-Y298 PolarHBondContact N-O 2.8Å; V287-Y298 PolarHBondContact O-N 2.65Å; V287-F305 HydrophobicContact CB-CB 4.01Å; V287-F305 HydrophobicContact CB-CD1 4.49Å; V287-F305 HydrophobicContact CB-CD2 4.21Å; V287-F305 HydrophobicContact CB-CG 3.96Å; V287-F305 HydrophobicContact CG1-CB 4.29Å; V287-F305 HydrophobicContact CG1-CD1 3.85Å; V287-F305 HydrophobicContact CG1-CD2 3.93Å; V287-F305 HydrophobicContact CG1-CE1 4.17Å; V287-F305 HydrophobicContact CG1-CE2 4.24Å; V287-F305 HydrophobicContact CG1-CG 3.72Å; V287-F305 HydrophobicContact CG1-CZ 4.35Å; V287-F305 HydrophobicContact CG2-CB 3.88Å; V287-F305 HydrophobicContact CG2-CG 4.22Å
288	I	93.3	Very high	89.1	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.3	171.7	-51	179.5	0	0	0	107.1	Y101 G102 L103 V104 L271 L295 F296 Y297	Y101-I288 HydrophobicContact CD1-CD1 3.76Å; Y101-I288 HydrophobicContact CD1-CG1 3.75Å; Y101-I288 HydrophobicContact CG-CD1 3.99Å; Y101-I288 HydrophobicContact CG-CG1 4.32Å; G102-I288 PolarHBondContact O-N 2.92Å; L103-I288 CarbonylContact C-O 3.44Å; L103-I288 WeakPolarHBondContact CA-O 3.17Å; L103-I288 HydrophobicContact CD1-CB 4.04Å; L103-I288 HydrophobicContact CD1-CG2 3.89Å; V104-I288 PolarHBondContact N-O 3Å; L271-I288 HydrophobicContact CD1-CD1 4.12Å; I288-L295 HydrophobicContact CG2-CB 4.14Å; I288-L295 HydrophobicContact CG2-CD2 3.91Å; I288-L295 HydrophobicContact CG2-CG 4.47Å; I288-F296 CarbonylContact C-O 3.49Å; I288-F296 WeakPolarHBondContact CA-O 3.42Å; I288-Y297 HydrophobicContact CB-CE1 4.42Å; I288-Y297 HydrophobicContact CD1-CD1 4.38Å; I288-Y297 HydrophobicContact CD1-CE1 3.63Å; I288-Y297 HydrophobicContact CG1-CD1 3.89Å; I288-Y297 HydrophobicContact CG1-CE1 3.59Å; I288-Y297 HydrophobicContact CG2-CE1 4.1Å
289	Q	91.3	Very high	89.3	Confident	13 Å²	13	40.5 Å²	40.5	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.7	175.8	-174.4	175.6	21.5	0	0	110.3	V104 E291 F296 Y298 F305 W309	V104-Q289 HydrophobicContact CG2-CB 4.08Å; V104-Q289 HydrophobicContact CG2-CG 4.22Å; V104-Q289 WeakPolarHBondContact O-CA 3.43Å; Q289-E291 HydrophobicContact CG-CB 4.27Å; Q289-F296 HydrophobicContact CB-CB 4.39Å; Q289-F296 PolarHBondContact N-O 2.64Å; Q289-F296 PolarHBondContact O-N 3.05Å; Q289-Y298 HydrophobicContact CB-CD2 4.37Å; Q289-Y298 HydrophobicContact CB-CE2 3.88Å; Q289-Y298 PolarHBondContact OE1-OH 2.83Å; Q289-F305 HydrophobicContact CB-CE2 3.95Å; Q289-F305 HydrophobicContact CB-CZ 4.07Å; Q289-F305 VanDerWaalsContact CD-CZ 3.47Å; Q289-F305 HydrophobicContact CG-CE2 4.31Å; Q289-F305 HydrophobicContact CG-CZ 4.03Å; Q289-F305 VanDerWaalsContact OE1-CE2 3.26Å; Q289-W309 VanDerWaalsContact NE2-CD1 3.34Å
290	L	88.2	Confident	89.2	Confident	2 Å²	2	41 Å²	41	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.6	170.5	178.4	58.8	0	0	0	109.5	L88 L103 V104 M109 K111 L295	L88-L290 HydrophobicContact CD2-CD1 3.35Å; L88-L290 HydrophobicContact CG-CD1 4.36Å; L103-L290 HydrophobicContact CD1-CB 4.33Å; V104-L290 PolarHBondContact O-N 2.74Å; M109-L290 HydrophobicContact CB-CD2 3.74Å; M109-L290 HydrophobicContact CB-CG 4.08Å; M109-L290 WeakPolarHBondContact O-CD2 3.25Å; K111-L290 HydrophobicContact CG-CD2 3.86Å; L290-L295 HydrophobicContact CB-CD2 4.25Å; L290-L295 HydrophobicContact CD1-CD2 3.83Å
291	E	82.5	Confident	89.1	Confident	68 Å²	68	42.8 Å²	42.8	32%	0.318	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.7	-179.5	-172.4	173.9	-163.5	0	0	110.1	Q289 Q293 K294 F296 W309	Q289-E291 HydrophobicContact CG-CB 4.27Å; E291-Q293 PolarHBondContact O-N 2.82Å; E291-K294 PolarHBondContact N-O 3.15Å; E291-K294 PolarHBondContact O-N 3.21Å; E291-K294 VanDerWaalsContact O-O 3.05Å; E291-F296 HydrophobicContact CB-CD2 4.17Å; E291-F296 HydrophobicContact CB-CE2 4.1Å; E291-W309 PolarHBondContact OE2-NE1 3.46Å
292	T	80.5	Confident	89	Confident	103 Å²	103	41.1 Å²	41.1	63%	0.632	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.1	178.2	54.5	0	0	0	0	114	K294	T292-K294 PolarHBondContact O-N 3.16Å
293	Q	82.2	Confident	89	Confident	81 Å²	81	41.8 Å²	41.8	38%	0.379	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	19.4	-178.5	-54.3	166.8	-25	0	0	114.4	D86 L87 L88 V89 E291	D86-Q293 PolarHBondContact O-NE2 3.15Å; L87-Q293 WeakPolarHBondContact O-CA 3.43Å; L87-Q293 WeakPolarHBondContact O-CB 3.33Å; L87-Q293 WeakPolarHBondContact O-CG 3.44Å; L88-Q293 CarbonylContact C-O 3.51Å; L88-Q293 VanDerWaalsContact CA-O 3.32Å; L88-Q293 WeakPolarHBondContact CA-O 3.47Å; V89-Q293 HydrophobicContact CB-CB 4.44Å; V89-Q293 HydrophobicContact CG2-CB 4.19Å; V89-Q293 PolarHBondContact N-O 2.95Å; E291-Q293 PolarHBondContact O-N 2.82Å
294	K	85.7	Confident	88.9	Confident	95 Å²	95	46.6 Å²	46.6	41%	0.413	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.3	177.4	-67.9	-170.8	177.2	-174.3	0	111.3	E291 T292 F296	E291-K294 PolarHBondContact N-O 3.15Å; E291-K294 PolarHBondContact O-N 3.21Å; E291-K294 VanDerWaalsContact O-O 3.05Å; T292-K294 PolarHBondContact O-N 3.16Å; K294-F296 HydrophobicContact CB-CE2 4.26Å; K294-F296 HydrophobicContact CB-CZ 4.32Å
295	L	88.8	Confident	88.8	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.084	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.1	176.4	-61.3	174.5	0	0	0	109.7	F78 L88 A91 L93 L103 L114 I288 L290 Y297	F78-L295 HydrophobicContact CZ-CD1 4.08Å; L88-L295 HydrophobicContact CD2-CD2 4.29Å; L88-L295 HydrophobicContact CD2-CG 4.21Å; A91-L295 HydrophobicContact CB-CD1 4.5Å; A91-L295 HydrophobicContact CB-CG 4.41Å; L93-L295 HydrophobicContact CB-CD1 4.36Å; L93-L295 HydrophobicContact CD1-CD1 3.99Å; L103-L295 HydrophobicContact CD1-CD2 4.37Å; L114-L295 HydrophobicContact CD2-CD1 4.1Å; L114-L295 HydrophobicContact CD2-CD2 4.11Å; I288-L295 HydrophobicContact CG2-CB 4.14Å; I288-L295 HydrophobicContact CG2-CD2 3.91Å; I288-L295 HydrophobicContact CG2-CG 4.47Å; L290-L295 HydrophobicContact CB-CD2 4.25Å; L290-L295 HydrophobicContact CD1-CD2 3.83Å; L295-Y297 HydrophobicContact CB-CE2 4.11Å
296	F	89.9	Confident	88.7	Confident	60 Å²	60	48 Å²	48	26%	0.263	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134	175.8	-63.1	-76.8	0	0	0	110.5	I288 Q289 E291 K294 Y298	I288-F296 CarbonylContact C-O 3.49Å; I288-F296 WeakPolarHBondContact CA-O 3.42Å; Q289-F296 HydrophobicContact CB-CB 4.39Å; Q289-F296 PolarHBondContact N-O 2.64Å; Q289-F296 PolarHBondContact O-N 3.05Å; E291-F296 HydrophobicContact CB-CD2 4.17Å; E291-F296 HydrophobicContact CB-CE2 4.1Å; K294-F296 HydrophobicContact CB-CE2 4.26Å; K294-F296 HydrophobicContact CB-CZ 4.32Å; F296-Y298 HydrophobicContact CB-CD2 4.49Å; F296-Y298 HydrophobicContact CB-CE2 3.61Å
297	Y	91.5	Very high	88.6	Confident	77 Å²	77	54.2 Å²	54.2	30%	0.302	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.9	-175.3	-67.2	-89.6	0	0	0	111.2	C92 L93 I94 I288 L295	C92-Y297 WeakPolarHBondContact O-CE2 3.48Å; C92-Y297 PolarHBondContact O-OH 3.04Å; C92-Y297 VanDerWaalsContact O-OH 3.14Å; L93-Y297 VanDerWaalsContact CA-OH 3.24Å; L93-Y297 WeakPolarHBondContact CA-OH 3.44Å; I94-Y297 HydrophobicContact CB-CE1 4.35Å; I94-Y297 PolarHBondContact N-OH 2.81Å; I94-Y297 WeakPolarHBondContact O-CE1 3.42Å; I288-Y297 HydrophobicContact CB-CE1 4.42Å; I288-Y297 HydrophobicContact CD1-CD1 4.38Å; I288-Y297 HydrophobicContact CD1-CE1 3.63Å; I288-Y297 HydrophobicContact CG1-CD1 3.89Å; I288-Y297 HydrophobicContact CG1-CE1 3.59Å; I288-Y297 HydrophobicContact CG2-CE1 4.1Å; L295-Y297 HydrophobicContact CB-CE2 4.11Å
298	Y	91.7	Very high	88.3	Confident	21 Å²	21	57.4 Å²	57.4	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.8	176.8	-58.4	-89.1	0	0	0	109.3	D286 V287 Q289 F296 F305 M308 K312	D286-Y298 CarbonylContact C-O 3.59Å; D286-Y298 WeakPolarHBondContact CA-O 3.3Å; V287-Y298 PolarHBondContact N-O 2.8Å; V287-Y298 PolarHBondContact O-N 2.65Å; Q289-Y298 HydrophobicContact CB-CD2 4.37Å; Q289-Y298 HydrophobicContact CB-CE2 3.88Å; Q289-Y298 PolarHBondContact OE1-OH 2.83Å; F296-Y298 HydrophobicContact CB-CD2 4.49Å; F296-Y298 HydrophobicContact CB-CE2 3.61Å; Y298-F305 HydrophobicContact CD1-CD2 4.25Å; Y298-F305 AromaticContact CD2-CD2 3.43Å; Y298-F305 HydrophobicContact CD2-CD2 3.43Å; Y298-F305 VanDerWaalsContact CD2-CD2 3.43Å; Y298-F305 AromaticContact CD2-CE2 3.51Å; Y298-F305 HydrophobicContact CD2-CE2 3.51Å; Y298-F305 AromaticContact CE2-CD2 3.93Å; Y298-F305 HydrophobicContact CE2-CD2 3.93Å; Y298-F305 AromaticContact CE2-CE2 3.55Å; Y298-F305 HydrophobicContact CE2-CE2 3.55Å; Y298-F305 AromaticContact CG-CD2 3.6Å; Y298-F305 HydrophobicContact CG-CD2 3.6Å; Y298-F305 HydrophobicContact CG-CE2 4.12Å; Y298-M308 HydrophobicContact CD1-CB 4.37Å; Y298-M308 HydrophobicContact CD1-CE 4.28Å; Y298-K312 HydrophobicContact CE1-CD 4.25Å; Y298-K312 WeakPolarHBondContact OH-CD 3.39Å; Y298-K312 PolarHBondContact OH-NZ 2.92Å; Y298-K312 VanDerWaalsContact OH-NZ 3.11Å
299	K	89.3	Confident	88	Confident	151 Å²	151	60 Å²	60	66%	0.657	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	137.4	173.9	-65.5	-172.1	179	-178.8	0	109.6	M308	K299-M308 VanDerWaalsContact O-CE 3.22Å; K299-M308 WeakPolarHBondContact O-CE 3.36Å
300	G	88.8	Confident	87.8	Confident	13 Å²	13	62.1 Å²	62.1	13%	0.134	30%	0.299	C	S	.	.	S	Bend	trans	114.6	172.3	-178.4	0	0	0	0	0	112.6	T285	T285-G300 CarbonylContact C-O 3.57Å; T285-G300 CarbonylContact O-C 3.51Å; T285-G300 WeakPolarHBondContact O-CA 3.06Å; T285-G300 PolarHBondContact O-N 2.91Å
301	N	87.9	Confident	87.8	Confident	37 Å²	37	68.3 Å²	68.3	20%	0.198	33%	0.328	C	S	.	.			trans	-73.1	175.1	177.8	70.2	0.5	0	0	0	112.3	D281 S303 Q304 F305	D281-N301 VanDerWaalsContact CG-ND2 3.31Å; D281-N301 WeakPolarHBondContact O-CB 3.43Å; D281-N301 PolarHBondContact OD1-ND2 3.33Å; D281-N301 PolarHBondContact OD1-OD1 2.96Å; D281-N301 PolarHBondContact OD2-ND2 3.42Å; N301-S303 VanDerWaalsContact C-N 3.31Å; N301-S303 PolarHBondContact O-N 3.04Å; N301-Q304 PolarHBondContact O-N 2.82Å; N301-Q304 WeakPolarHBondContact OD1-CB 3.46Å; N301-Q304 WeakPolarHBondContact OD1-CG 3.39Å; N301-Q304 PolarHBondContact OD1-N 3.47Å; N301-F305 PolarHBondContact O-N 2.68Å
302	Y	88.7	Confident	88	Confident	15 Å²	15	69.4 Å²	69.4	6%	0.059	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-41	-177.3	-176	-93.9	0	0	0	113.1	V104 Q277 L280 D281 Q304 F305 K306 I544	V104-Y302 HydrophobicContact CG1-CD2 4.27Å; V104-Y302 HydrophobicContact CG1-CE2 4.12Å; Q277-Y302 HydrophobicContact CB-CD1 3.89Å; Q277-Y302 HydrophobicContact CB-CE1 3.89Å; Q277-Y302 HydrophobicContact CG-CD1 3.92Å; Q277-Y302 HydrophobicContact CG-CE1 3.39Å; Q277-Y302 PolarHBondContact NE2-OH 3.13Å; L280-Y302 HydrophobicContact CB-CD2 4.31Å; L280-Y302 HydrophobicContact CB-CG 4.23Å; L280-Y302 HydrophobicContact CD1-CD2 3.78Å; L280-Y302 HydrophobicContact CD1-CE2 4.21Å; L280-Y302 HydrophobicContact CD1-CG 4.43Å; D281-Y302 PolarHBondContact OD1-N 3Å; Y302-Q304 PolarHBondContact O-N 3.4Å; Y302-F305 AromaticContact CD2-CD1 3.93Å; Y302-F305 HydrophobicContact CD2-CD1 3.93Å; Y302-F305 HydrophobicContact CD2-CE1 4.43Å; Y302-F305 AromaticContact CE2-CD1 3.9Å; Y302-F305 HydrophobicContact CE2-CD1 3.9Å; Y302-F305 AromaticContact CE2-CE1 3.99Å; Y302-F305 HydrophobicContact CE2-CE1 3.99Å; Y302-F305 WeakPolarHBondContact O-CB 3.08Å; Y302-F305 PolarHBondContact O-N 2.84Å; Y302-K306 HydrophobicContact CE1-CD 4.26Å; Y302-K306 PolarHBondContact O-N 3.17Å; Y302-I544 HydrophobicContact CE2-CD1 3.89Å; Y302-I544 WeakPolarHBondContact OH-CD1 3.49Å
303	S	88.9	Confident	88.2	Confident	54 Å²	54	67.9 Å²	67.9	38%	0.378	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-40	178	-63	0	0	0	0	112.9	D281 N301 K307	D281-S303 WeakPolarHBondContact OD1-CB 3.22Å; D281-S303 PolarHBondContact OD1-N 3.37Å; D281-S303 PolarHBondContact OD1-OG 3.17Å; N301-S303 VanDerWaalsContact C-N 3.31Å; N301-S303 PolarHBondContact O-N 3.04Å; S303-K307 WeakPolarHBondContact O-CG 3.33Å; S303-K307 PolarHBondContact O-N 3.11Å
304	Q	89.5	Confident	88.4	Confident	101 Å²	101	70.1 Å²	70.1	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-43	174.5	-71.5	169	21.7	0	0	111	N301 Y302 K307 M308	N301-Q304 PolarHBondContact O-N 2.82Å; N301-Q304 WeakPolarHBondContact OD1-CB 3.46Å; N301-Q304 WeakPolarHBondContact OD1-CG 3.39Å; N301-Q304 PolarHBondContact OD1-N 3.47Å; Y302-Q304 PolarHBondContact O-N 3.4Å; Q304-K307 PolarHBondContact O-N 3.39Å; Q304-M308 WeakPolarHBondContact O-CG 3.39Å; Q304-M308 PolarHBondContact O-N 3.01Å
305	F	89.9	Confident	88.4	Confident	7 Å²	7	71.4 Å²	71.4	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-55.9	-51	172.7	158.8	-104.9	0	0	0	111.9	V104 V287 Q289 Y298 N301 Y302 K307 M308 W309	V104-F305 HydrophobicContact CG2-CE1 3.83Å; V104-F305 HydrophobicContact CG2-CZ 3.86Å; V287-F305 HydrophobicContact CB-CB 4.01Å; V287-F305 HydrophobicContact CB-CD1 4.49Å; V287-F305 HydrophobicContact CB-CD2 4.21Å; V287-F305 HydrophobicContact CB-CG 3.96Å; V287-F305 HydrophobicContact CG1-CB 4.29Å; V287-F305 HydrophobicContact CG1-CD1 3.85Å; V287-F305 HydrophobicContact CG1-CD2 3.93Å; V287-F305 HydrophobicContact CG1-CE1 4.17Å; V287-F305 HydrophobicContact CG1-CE2 4.24Å; V287-F305 HydrophobicContact CG1-CG 3.72Å; V287-F305 HydrophobicContact CG1-CZ 4.35Å; V287-F305 HydrophobicContact CG2-CB 3.88Å; V287-F305 HydrophobicContact CG2-CG 4.22Å; Q289-F305 HydrophobicContact CB-CE2 3.95Å; Q289-F305 HydrophobicContact CB-CZ 4.07Å; Q289-F305 VanDerWaalsContact CD-CZ 3.47Å; Q289-F305 HydrophobicContact CG-CE2 4.31Å; Q289-F305 HydrophobicContact CG-CZ 4.03Å; Q289-F305 VanDerWaalsContact OE1-CE2 3.26Å; Y298-F305 HydrophobicContact CD1-CD2 4.25Å; Y298-F305 AromaticContact CD2-CD2 3.43Å; Y298-F305 HydrophobicContact CD2-CD2 3.43Å; Y298-F305 VanDerWaalsContact CD2-CD2 3.43Å; Y298-F305 AromaticContact CD2-CE2 3.51Å; Y298-F305 HydrophobicContact CD2-CE2 3.51Å; Y298-F305 AromaticContact CE2-CD2 3.93Å; Y298-F305 HydrophobicContact CE2-CD2 3.93Å; Y298-F305 AromaticContact CE2-CE2 3.55Å; Y298-F305 HydrophobicContact CE2-CE2 3.55Å; Y298-F305 AromaticContact CG-CD2 3.6Å; Y298-F305 HydrophobicContact CG-CD2 3.6Å; Y298-F305 HydrophobicContact CG-CE2 4.12Å; N301-F305 PolarHBondContact O-N 2.68Å; Y302-F305 AromaticContact CD2-CD1 3.93Å; Y302-F305 HydrophobicContact CD2-CD1 3.93Å; Y302-F305 HydrophobicContact CD2-CE1 4.43Å; Y302-F305 AromaticContact CE2-CD1 3.9Å; Y302-F305 HydrophobicContact CE2-CD1 3.9Å; Y302-F305 AromaticContact CE2-CE1 3.99Å; Y302-F305 HydrophobicContact CE2-CE1 3.99Å; Y302-F305 WeakPolarHBondContact O-CB 3.08Å; Y302-F305 PolarHBondContact O-N 2.84Å; F305-K307 VanDerWaalsContact C-N 3.25Å; F305-K307 PolarHBondContact O-N 2.67Å; F305-M308 PolarHBondContact O-N 2.88Å; F305-M308 VanDerWaalsContact O-N 3.12Å; F305-W309 HydrophobicContact CD2-CB 4.39Å; F305-W309 HydrophobicContact CE2-CB 3.94Å; F305-W309 HydrophobicContact CE2-CG 4.31Å; F305-W309 HydrophobicContact CZ-CB 4.16Å; F305-W309 HydrophobicContact CZ-CG 4.26Å; F305-W309 WeakPolarHBondContact O-CB 3.18Å; F305-W309 PolarHBondContact O-N 3.09Å
306	K	87.6	Confident	88.2	Confident	76 Å²	76	74.1 Å²	74.1	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-56.1	-39.8	-179.8	-168.1	175.1	-172.2	174	0	111.8	Y302 T310	Y302-K306 HydrophobicContact CE1-CD 4.26Å; Y302-K306 PolarHBondContact O-N 3.17Å; K306-T310 WeakPolarHBondContact O-CB 3.35Å; K306-T310 PolarHBondContact O-N 2.73Å; K306-T310 PolarHBondContact O-OG1 2.99Å
307	K	90	Very high	87.9	Confident	145 Å²	145	76.4 Å²	76.4	63%	0.63	36%	0.358	S	S	*	.	H	α-helix	trans	-66.2	-50.5	175.3	-69.8	174.6	-175.8	176.1	0	112.2	S303 Q304 F305 W309 T310 Q311	S303-K307 WeakPolarHBondContact O-CG 3.33Å; S303-K307 PolarHBondContact O-N 3.11Å; Q304-K307 PolarHBondContact O-N 3.39Å; F305-K307 VanDerWaalsContact C-N 3.25Å; F305-K307 PolarHBondContact O-N 2.67Å; K307-W309 VanDerWaalsContact C-N 3.33Å; K307-W309 PolarHBondContact O-N 3.25Å; K307-T310 PolarHBondContact O-N 3.3Å; K307-Q311 WeakPolarHBondContact O-CG 3.41Å; K307-Q311 PolarHBondContact O-N 3.24Å; K307-Q311 VanDerWaalsContact O-N 3.12Å
308	M	88.8	Confident	87.6	Confident	68 Å²	68	81.2 Å²	81.2	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-41.3	178.6	-71.2	-172.3	-71.5	0	0	111.8	Y298 K299 Q304 F305 Q311 K312	Y298-M308 HydrophobicContact CD1-CB 4.37Å; Y298-M308 HydrophobicContact CD1-CE 4.28Å; K299-M308 VanDerWaalsContact O-CE 3.22Å; K299-M308 WeakPolarHBondContact O-CE 3.36Å; Q304-M308 WeakPolarHBondContact O-CG 3.39Å; Q304-M308 PolarHBondContact O-N 3.01Å; F305-M308 PolarHBondContact O-N 2.88Å; F305-M308 VanDerWaalsContact O-N 3.12Å; M308-Q311 PolarHBondContact O-N 3.11Å; M308-K312 WeakPolarHBondContact O-CB 3.15Å; M308-K312 PolarHBondContact O-N 3.21Å
309	W	87.4	Confident	87.3	Confident	56 Å²	56	83 Å²	83	21%	0.212	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-44.2	178.2	-178.4	72.3	0	0	0	111.7	Q289 E291 F305 K307 Q311 K312 K313	Q289-W309 VanDerWaalsContact NE2-CD1 3.34Å; E291-W309 PolarHBondContact OE2-NE1 3.46Å; F305-W309 HydrophobicContact CD2-CB 4.39Å; F305-W309 HydrophobicContact CE2-CB 3.94Å; F305-W309 HydrophobicContact CE2-CG 4.31Å; F305-W309 HydrophobicContact CZ-CB 4.16Å; F305-W309 HydrophobicContact CZ-CG 4.26Å; F305-W309 WeakPolarHBondContact O-CB 3.18Å; F305-W309 PolarHBondContact O-N 3.09Å; K307-W309 VanDerWaalsContact C-N 3.33Å; K307-W309 PolarHBondContact O-N 3.25Å; W309-Q311 VanDerWaalsContact C-N 3.26Å; W309-Q311 PolarHBondContact O-N 3.43Å; W309-K312 PolarHBondContact O-N 3.04Å; W309-K313 HydrophobicContact CH2-CD 4.21Å; W309-K313 HydrophobicContact CZ2-CD 4.28Å; W309-K313 WeakPolarHBondContact O-CB 3.13Å; W309-K313 PolarHBondContact O-N 3.48Å
310	T	85.9	Confident	87	Confident	58 Å²	58	77.6 Å²	77.6	36%	0.356	36%	0.362	S	S	.	.	H	α-helix	trans	-58.9	-39	175.4	-58.1	0	0	0	0	111.8	K306 K307 K314	K306-T310 WeakPolarHBondContact O-CB 3.35Å; K306-T310 PolarHBondContact O-N 2.73Å; K306-T310 PolarHBondContact O-OG1 2.99Å; K307-T310 PolarHBondContact O-N 3.3Å; T310-K314 WeakPolarHBondContact O-CG 3.33Å; T310-K314 PolarHBondContact O-N 3.13Å
311	Q	88.6	Confident	87	Confident	133 Å²	133	80.5 Å²	80.5	62%	0.621	38%	0.375	S	S	*	.	H	α-helix	trans	-67	-48	175.6	-70	173.5	-0.2	0	0	111.8	K307 M308 W309 K313 K314 E315	K307-Q311 WeakPolarHBondContact O-CG 3.41Å; K307-Q311 PolarHBondContact O-N 3.24Å; K307-Q311 VanDerWaalsContact O-N 3.12Å; M308-Q311 PolarHBondContact O-N 3.11Å; W309-Q311 VanDerWaalsContact C-N 3.26Å; W309-Q311 PolarHBondContact O-N 3.43Å; Q311-K313 VanDerWaalsContact C-N 3.31Å; Q311-K313 PolarHBondContact O-N 2.65Å; Q311-K314 PolarHBondContact O-N 3.3Å; Q311-E315 PolarHBondContact O-N 2.65Å
312	K	86.3	Confident	86.9	Confident	91 Å²	91	84 Å²	84	40%	0.396	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-37.5	178.1	-168.6	177.6	178.3	-175.5	0	112.1	Y298 M308 W309 E315 L316	Y298-K312 HydrophobicContact CE1-CD 4.25Å; Y298-K312 WeakPolarHBondContact OH-CD 3.39Å; Y298-K312 PolarHBondContact OH-NZ 2.92Å; Y298-K312 VanDerWaalsContact OH-NZ 3.11Å; M308-K312 WeakPolarHBondContact O-CB 3.15Å; M308-K312 PolarHBondContact O-N 3.21Å; W309-K312 PolarHBondContact O-N 3.04Å; K312-E315 PolarHBondContact O-N 3.2Å; K312-L316 WeakPolarHBondContact O-CB 3.32Å; K312-L316 PolarHBondContact O-N 2.86Å
313	K	83.9	Confident	86.6	Confident	71 Å²	71	83.8 Å²	83.8	31%	0.309	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-46.2	174.6	-171.9	175.7	-178.9	176.6	0	111.5	W309 Q311 E315 L316 E317 D376	W309-K313 HydrophobicContact CH2-CD 4.21Å; W309-K313 HydrophobicContact CZ2-CD 4.28Å; W309-K313 WeakPolarHBondContact O-CB 3.13Å; W309-K313 PolarHBondContact O-N 3.48Å; Q311-K313 VanDerWaalsContact C-N 3.31Å; Q311-K313 PolarHBondContact O-N 2.65Å; K313-E315 VanDerWaalsContact C-N 3.33Å; K313-E315 PolarHBondContact O-N 3.42Å; K313-L316 PolarHBondContact O-N 3.31Å; K313-E317 WeakPolarHBondContact O-CB 3.46Å; K313-E317 PolarHBondContact O-N 3.07Å; K313-D376 VanDerWaalsContact CE-OD1 3.3Å; K313-D376 WeakPolarHBondContact CE-OD1 3.32Å; K313-D376 IonicContact NZ-OD1 3.2Å; K313-D376 PolarHBondContact NZ-OD1 2.85Å
314	K	86.9	Confident	86.3	Confident	128 Å²	128	83.9 Å²	83.9	56%	0.557	38%	0.382	S	S	*	.	H	α-helix	trans	-63.2	-37.5	175.8	-72.3	176.3	-177.6	-179.1	0	112.6	T310 Q311 R318	T310-K314 WeakPolarHBondContact O-CG 3.33Å; T310-K314 PolarHBondContact O-N 3.13Å; Q311-K314 PolarHBondContact O-N 3.3Å; K314-R318 VanDerWaalsContact O-CG 3.26Å; K314-R318 WeakPolarHBondContact O-CG 3.43Å; K314-R318 PolarHBondContact O-N 3.01Å; K314-R318 VanDerWaalsContact O-N 3.12Å
315	E	86.3	Confident	86.1	Confident	122 Å²	122	85.3 Å²	85.3	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-66.3	-46.3	175	-175.4	174.4	-166	0	0	111.5	Q311 K312 K313 E317 R318 D319	Q311-E315 PolarHBondContact O-N 2.65Å; K312-E315 PolarHBondContact O-N 3.2Å; K313-E315 VanDerWaalsContact C-N 3.33Å; K313-E315 PolarHBondContact O-N 3.42Å; E315-E317 VanDerWaalsContact C-N 3.33Å; E315-E317 PolarHBondContact O-N 2.87Å; E315-R318 PolarHBondContact O-N 3.18Å; E315-D319 PolarHBondContact O-N 3.02Å
316	L	83.7	Confident	85.6	Confident	72 Å²	72	91.6 Å²	91.6	38%	0.377	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-42.5	177.3	-173	67	0	0	0	111.9	K312 K313 D319 Y320 I371 P374	K312-L316 WeakPolarHBondContact O-CB 3.32Å; K312-L316 PolarHBondContact O-N 2.86Å; K313-L316 PolarHBondContact O-N 3.31Å; L316-D319 PolarHBondContact O-N 2.61Å; L316-Y320 VanDerWaalsContact O-CB 3.29Å; L316-Y320 WeakPolarHBondContact O-CB 3.32Å; L316-Y320 PolarHBondContact O-N 3.23Å; L316-I371 HydrophobicContact CD1-CD1 4.48Å; L316-I371 HydrophobicContact CD1-CG2 3.64Å; L316-I371 HydrophobicContact CG-CG2 4.2Å; L316-P374 HydrophobicContact CD2-CG 4.15Å
317	E	83.7	Confident	85.2	Confident	108 Å²	108	89.3 Å²	89.3	51%	0.505	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.2	-173.3	174.9	-158.8	0	0	111.7	K313 E315 D319 Y320 D321	K313-E317 WeakPolarHBondContact O-CB 3.46Å; K313-E317 PolarHBondContact O-N 3.07Å; E315-E317 VanDerWaalsContact C-N 3.33Å; E315-E317 PolarHBondContact O-N 2.87Å; E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 3.16Å; E317-Y320 WeakPolarHBondContact O-CB 3.4Å; E317-Y320 PolarHBondContact O-N 3.03Å; E317-D321 PolarHBondContact O-N 2.93Å
318	R	86.7	Confident	84.7	Confident	179 Å²	179	89.4 Å²	89.4	68%	0.675	40%	0.398	S	S	*	.	H	α-helix	trans	-61.5	-40.7	175.5	-75	172.2	171.7	-166.4	-2.3	112.3	K314 E315 D321 K322	K314-R318 VanDerWaalsContact O-CG 3.26Å; K314-R318 WeakPolarHBondContact O-CG 3.43Å; K314-R318 PolarHBondContact O-N 3.01Å; K314-R318 VanDerWaalsContact O-N 3.12Å; E315-R318 PolarHBondContact O-N 3.18Å; R318-D321 PolarHBondContact O-N 3.18Å; R318-K322 VanDerWaalsContact O-CG 3.29Å; R318-K322 WeakPolarHBondContact O-CG 3.18Å; R318-K322 PolarHBondContact O-N 2.91Å
319	D	84.6	Confident	84.4	Confident	58 Å²	58	92 Å²	92	31%	0.31	41%	0.409	S	S	.	.	H	α-helix	trans	-73.2	-34.9	179.1	-79.6	-5.7	0	0	0	112.4	E315 L316 E317 K322 Q323 I371	E315-D319 PolarHBondContact O-N 3.02Å; L316-D319 PolarHBondContact O-N 2.61Å; E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 3.16Å; D319-K322 PolarHBondContact O-N 2.98Å; D319-K322 IonicContact OD1-NZ 2.74Å; D319-K322 PolarHBondContact OD1-NZ 3.29Å; D319-Q323 VanDerWaalsContact O-CB 3.25Å; D319-Q323 WeakPolarHBondContact O-CB 3.47Å; D319-Q323 PolarHBondContact O-N 3.29Å; D319-I371 HydrophobicContact CB-CD1 3.87Å
320	Y	83.5	Confident	84	Confident	38 Å²	38	91.2 Å²	91.2	15%	0.149	41%	0.409	C	S	.	.	H	α-helix	trans	-59.6	-46.4	168.6	178.6	-103	0	0	0	111.5	L316 E317 Q323 Q324 I371 R373	L316-Y320 VanDerWaalsContact O-CB 3.29Å; L316-Y320 WeakPolarHBondContact O-CB 3.32Å; L316-Y320 PolarHBondContact O-N 3.23Å; E317-Y320 WeakPolarHBondContact O-CB 3.4Å; E317-Y320 PolarHBondContact O-N 3.03Å; Y320-Q323 CarbonylContact O-C 3.59Å; Y320-Q323 WeakPolarHBondContact O-CB 3.43Å; Y320-Q323 PolarHBondContact O-N 3.05Å; Y320-Q323 VanDerWaalsContact O-N 3.16Å; Y320-Q324 HydrophobicContact CD1-CG 4.18Å; Y320-Q324 HydrophobicContact CE1-CG 3.75Å; Y320-Q324 HydrophobicContact CE2-CG 4.23Å; Y320-Q324 WeakPolarHBondContact O-CG 3.47Å; Y320-Q324 PolarHBondContact O-N 2.66Å; Y320-Q324 PolarHBondContact OH-NE2 3.38Å; Y320-I371 HydrophobicContact CD2-CB 4.43Å; Y320-I371 HydrophobicContact CD2-CG2 4.05Å; Y320-I371 VanDerWaalsContact CD2-O 3.3Å; Y320-I371 WeakPolarHBondContact CD2-O 3.39Å; Y320-I371 WeakPolarHBondContact CE2-O 3.36Å; Y320-R373 HydrophobicContact CE1-CB 4.15Å; Y320-R373 HydrophobicContact CE1-CG 4Å; Y320-R373 HydrophobicContact CE2-CB 4.06Å; Y320-R373 VanDerWaalsContact CE2-N 3.34Å; Y320-R373 WeakPolarHBondContact OH-CB 3.41Å
321	D	87.5	Confident	83.6	Confident	74 Å²	74	93.3 Å²	93.3	40%	0.396	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-43.1	177.7	-80	-14.9	0	0	0	112.6	E317 R318 Q323 Q324 K325	E317-D321 PolarHBondContact O-N 2.93Å; R318-D321 PolarHBondContact O-N 3.18Å; D321-Q323 VanDerWaalsContact C-N 3.28Å; D321-Q323 PolarHBondContact O-N 3.17Å; D321-Q324 PolarHBondContact O-N 3.03Å; D321-K325 WeakPolarHBondContact O-CG 3.48Å; D321-K325 PolarHBondContact O-N 3.07Å
322	K	87.3	Confident	83	Confident	111 Å²	111	94 Å²	94	48%	0.483	42%	0.419	S	S	.	.	H	α-helix	trans	-60	-42	172.6	-70.8	170.2	-161.8	157.9	0	110.9	R318 D319 K325 R326	R318-K322 VanDerWaalsContact O-CG 3.29Å; R318-K322 WeakPolarHBondContact O-CG 3.18Å; R318-K322 PolarHBondContact O-N 2.91Å; D319-K322 PolarHBondContact O-N 2.98Å; D319-K322 IonicContact OD1-NZ 2.74Å; D319-K322 PolarHBondContact OD1-NZ 3.29Å; K322-K325 PolarHBondContact O-N 3.46Å; K322-R326 WeakPolarHBondContact O-CG 3.41Å; K322-R326 PolarHBondContact O-N 3.1Å
323	Q	82.1	Confident	82.6	Confident	9 Å²	9	93.1 Å²	93.1	4%	0.042	43%	0.429	C	S	.	.	H	α-helix	trans	-65.2	-42.3	177.5	163.3	170.1	-28.1	0	0	111.5	D319 Y320 D321 R326 L327 M344 I371	D319-Q323 VanDerWaalsContact O-CB 3.25Å; D319-Q323 WeakPolarHBondContact O-CB 3.47Å; D319-Q323 PolarHBondContact O-N 3.29Å; Y320-Q323 CarbonylContact O-C 3.59Å; Y320-Q323 WeakPolarHBondContact O-CB 3.43Å; Y320-Q323 PolarHBondContact O-N 3.05Å; Y320-Q323 VanDerWaalsContact O-N 3.16Å; D321-Q323 VanDerWaalsContact C-N 3.28Å; D321-Q323 PolarHBondContact O-N 3.17Å; Q323-R326 PolarHBondContact O-N 3.29Å; Q323-L327 HydrophobicContact CG-CD1 4.13Å; Q323-L327 WeakPolarHBondContact O-CG 3.38Å; Q323-L327 PolarHBondContact O-N 3.32Å; Q323-M344 HydrophobicContact CB-CE 3.75Å; Q323-M344 HydrophobicContact CG-CE 3.47Å; Q323-M344 VanDerWaalsContact CG-CE 3.47Å; Q323-M344 HydrophobicContact CG-SD 3.86Å; Q323-I371 VanDerWaalsContact NE2-N 3.18Å; Q323-I371 PolarHBondContact NE2-O 3.07Å
324	Q	81.9	Confident	82.1	Confident	56 Å²	56	93 Å²	93	26%	0.262	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-44.8	174.5	-77.4	-144.6	-17.3	0	0	112.2	Y320 D321 R326 L327 R328	Y320-Q324 HydrophobicContact CD1-CG 4.18Å; Y320-Q324 HydrophobicContact CE1-CG 3.75Å; Y320-Q324 HydrophobicContact CE2-CG 4.23Å; Y320-Q324 WeakPolarHBondContact O-CG 3.47Å; Y320-Q324 PolarHBondContact O-N 2.66Å; Y320-Q324 PolarHBondContact OH-NE2 3.38Å; D321-Q324 PolarHBondContact O-N 3.03Å; Q324-R326 PolarHBondContact O-N 3.09Å; Q324-L327 PolarHBondContact O-N 3.43Å; Q324-R328 WeakPolarHBondContact O-CG 3.46Å; Q324-R328 PolarHBondContact O-N 3.43Å
325	K	85.7	Confident	81.5	Confident	131 Å²	131	89.8 Å²	89.8	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-58.9	-47.3	176.8	-73.6	176.8	-177.4	-178.7	0	111.2	D321 K322 L327 R328 E329	D321-K325 WeakPolarHBondContact O-CG 3.48Å; D321-K325 PolarHBondContact O-N 3.07Å; K322-K325 PolarHBondContact O-N 3.46Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 3.2Å; K325-R328 WeakPolarHBondContact O-CB 3.08Å; K325-R328 PolarHBondContact O-N 2.84Å; K325-R328 VanDerWaalsContact O-N 3.12Å; K325-E329 WeakPolarHBondContact O-CG 3.07Å; K325-E329 PolarHBondContact O-N 2.97Å
326	R	80.3	Confident	80.7	Confident	140 Å²	140	87.4 Å²	87.4	53%	0.528	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-39	175.2	-73.5	179.4	-179.9	170.3	4.2	113.3	K322 Q323 Q324 R328 E329 L330	K322-R326 WeakPolarHBondContact O-CG 3.41Å; K322-R326 PolarHBondContact O-N 3.1Å; Q323-R326 PolarHBondContact O-N 3.29Å; Q324-R326 PolarHBondContact O-N 3.09Å; R326-R328 VanDerWaalsContact C-N 3.34Å; R326-E329 PolarHBondContact O-N 3.41Å; R326-L330 WeakPolarHBondContact O-CG 3.39Å; R326-L330 PolarHBondContact O-N 2.81Å
327	L	78	Confident	80	Confident	28 Å²	28	86.8 Å²	86.8	15%	0.147	43%	0.433	C	S	.	.	H	α-helix	trans	-65.3	-38.6	175	-76.6	168.5	0	0	0	111.5	Q323 Q324 K325 K331 A340 V341 M344	Q323-L327 HydrophobicContact CG-CD1 4.13Å; Q323-L327 WeakPolarHBondContact O-CG 3.38Å; Q323-L327 PolarHBondContact O-N 3.32Å; Q324-L327 PolarHBondContact O-N 3.43Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 3.2Å; L327-K331 VanDerWaalsContact O-CG 3.27Å; L327-K331 WeakPolarHBondContact O-CG 3.36Å; L327-K331 PolarHBondContact O-N 2.86Å; L327-K331 VanDerWaalsContact O-N 3.11Å; L327-A340 HydrophobicContact CD2-CB 4.27Å; L327-V341 HydrophobicContact CD2-CG2 4.19Å; L327-M344 HydrophobicContact CD1-SD 4.37Å; L327-M344 HydrophobicContact CD2-SD 3.95Å; L327-M344 HydrophobicContact CG-SD 3.88Å
328	R	79.9	Confident	79.3	Confident	147 Å²	147	90 Å²	90	56%	0.555	45%	0.445	S	S	*	.	H	α-helix	trans	-65.5	-45.5	174.4	-68.1	175.7	-157.9	176.6	7	111.3	Q324 K325 R326 L330 K331 I332	Q324-R328 WeakPolarHBondContact O-CG 3.46Å; Q324-R328 PolarHBondContact O-N 3.43Å; K325-R328 WeakPolarHBondContact O-CB 3.08Å; K325-R328 PolarHBondContact O-N 2.84Å; K325-R328 VanDerWaalsContact O-N 3.12Å; R326-R328 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 3.17Å; R328-K331 WeakPolarHBondContact O-CB 3.5Å; R328-K331 PolarHBondContact O-N 2.69Å; R328-K331 VanDerWaalsContact O-N 3.16Å; R328-I332 VanDerWaalsContact O-CG1 3.3Å; R328-I332 WeakPolarHBondContact O-CG1 3.32Å; R328-I332 PolarHBondContact O-N 2.87Å
329	E	82.9	Confident	78.6	Confident	123 Å²	123	86.7 Å²	86.7	58%	0.575	44%	0.437	S	S	*	.	H	α-helix	trans	-58.6	-45.1	176.1	-72.3	166.4	-170.8	0	0	112.1	K325 R326 K331 I332 A333	K325-E329 WeakPolarHBondContact O-CG 3.07Å; K325-E329 PolarHBondContact O-N 2.97Å; R326-E329 PolarHBondContact O-N 3.41Å; E329-K331 VanDerWaalsContact C-N 3.31Å; E329-K331 PolarHBondContact O-N 2.79Å; E329-I332 PolarHBondContact O-N 2.71Å; E329-A333 WeakPolarHBondContact O-CB 3.48Å; E329-A333 PolarHBondContact O-N 3.15Å
330	L	78.9	Confident	77.6	Confident	39 Å²	39	84 Å²	84	20%	0.204	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-34	176.8	-74.8	169.2	0	0	0	112.9	R326 R328 K335 A340	R326-L330 WeakPolarHBondContact O-CG 3.39Å; R326-L330 PolarHBondContact O-N 2.81Å; R328-L330 PolarHBondContact O-N 3.17Å; L330-K335 HydrophobicContact CD2-CD 4.11Å; L330-K335 WeakPolarHBondContact O-CB 3.4Å; L330-K335 PolarHBondContact O-N 3.1Å; L330-A340 HydrophobicContact CB-CB 3.84Å; L330-A340 HydrophobicContact CD1-CB 4.42Å
331	K	77.7	Confident	76.9	Confident	101 Å²	101	85 Å²	85	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-70	-42.5	174.5	-73.3	178.6	-172.9	-161.9	0	111.8	L327 R328 E329 A333 G334 S337 A340	L327-K331 VanDerWaalsContact O-CG 3.27Å; L327-K331 WeakPolarHBondContact O-CG 3.36Å; L327-K331 PolarHBondContact O-N 2.86Å; L327-K331 VanDerWaalsContact O-N 3.11Å; R328-K331 WeakPolarHBondContact O-CB 3.5Å; R328-K331 PolarHBondContact O-N 2.69Å; R328-K331 VanDerWaalsContact O-N 3.16Å; E329-K331 VanDerWaalsContact C-N 3.31Å; E329-K331 PolarHBondContact O-N 2.79Å; K331-A333 VanDerWaalsContact C-N 3.27Å; K331-A333 PolarHBondContact O-N 2.85Å; K331-G334 PolarHBondContact O-N 3.32Å; K331-G334 VanDerWaalsContact O-N 3.13Å; K331-S337 WeakPolarHBondContact CE-OG 3.33Å; K331-S337 PolarHBondContact NZ-OG 3.09Å; K331-A340 HydrophobicContact CG-CB 4.44Å
332	I	75.9	Confident	76.2	Confident	148 Å²	148	86.3 Å²	86.3	76%	0.759	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-37	175.2	-67.1	165	0	0	0	110.4	R328 E329 G334	R328-I332 VanDerWaalsContact O-CG1 3.3Å; R328-I332 WeakPolarHBondContact O-CG1 3.32Å; R328-I332 PolarHBondContact O-N 2.87Å; E329-I332 PolarHBondContact O-N 2.71Å; I332-G334 PolarHBondContact O-N 2.94Å
333	A	78.1	Confident	75.4	Confident	72 Å²	72	86.8 Å²	86.8	60%	0.595	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	17.2	173.5	0	0	0	0	0	114.4	E329 K331	E329-A333 WeakPolarHBondContact O-CB 3.48Å; E329-A333 PolarHBondContact O-N 3.15Å; K331-A333 VanDerWaalsContact C-N 3.27Å; K331-A333 PolarHBondContact O-N 2.85Å
334	G	73.6	Confident	74.9	Confident	70 Å²	70	87 Å²	87	72%	0.722	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	8	171.8	0	0	0	0	0	115.7	K331 I332	K331-G334 PolarHBondContact O-N 3.32Å; K331-G334 VanDerWaalsContact O-N 3.13Å; I332-G334 PolarHBondContact O-N 2.94Å
335	K	72.8	Confident	74.3	Confident	60 Å²	60	85.6 Å²	85.6	26%	0.261	44%	0.435	S	S	.	.			trans	-89.2	136.9	179.1	-60.6	176.2	-175.2	156.5	0	111.2	L330 Q339	L330-K335 HydrophobicContact CD2-CD 4.11Å; L330-K335 WeakPolarHBondContact O-CB 3.4Å; L330-K335 PolarHBondContact O-N 3.1Å; K335-Q339 HydrophobicContact CB-CB 4.3Å
336	S	70.2	Confident	73.5	Confident	71 Å²	71	84.7 Å²	84.7	50%	0.497	43%	0.431	S	S	.	.			trans	-58.8	151	170.2	175	0	0	0	0	111.1	K338 Q339 A340	S336-K338 PolarHBondContact O-N 3Å; S336-K338 VanDerWaalsContact O-N 3.13Å; S336-Q339 PolarHBondContact O-N 3.07Å; S336-A340 PolarHBondContact O-N 3.36Å
337	S	68.4	Low	73	Confident	59 Å²	59	80.7 Å²	80.7	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-52	-37.2	179.5	-68.1	0	0	0	0	112.9	K331 V341	K331-S337 WeakPolarHBondContact CE-OG 3.33Å; K331-S337 PolarHBondContact NZ-OG 3.09Å; S337-V341 WeakPolarHBondContact O-CG2 3.48Å; S337-V341 PolarHBondContact O-N 2.69Å
338	K	70.2	Confident	72.3	Confident	177 Å²	177	82.1 Å²	82.1	77%	0.77	43%	0.43	S	S	*	.	H	α-helix	trans	-66.2	-46.1	176.4	-73.3	-174.4	177	-178.6	0	112.2	S336 A340 V341 E342	S336-K338 PolarHBondContact O-N 3Å; S336-K338 VanDerWaalsContact O-N 3.13Å; K338-A340 PolarHBondContact O-N 3.29Å; K338-V341 PolarHBondContact O-N 2.9Å; K338-E342 WeakPolarHBondContact O-CB 3.5Å; K338-E342 PolarHBondContact O-N 3.11Å
339	Q	70.3	Confident	71.5	Confident	109 Å²	109	78.4 Å²	78.4	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-36.8	179.8	-69.5	175.6	-18.8	0	0	112.5	K335 S336 K343	K335-Q339 HydrophobicContact CB-CB 4.3Å; S336-Q339 PolarHBondContact O-N 3.07Å; Q339-K343 VanDerWaalsContact O-CB 3.32Å; Q339-K343 WeakPolarHBondContact O-CB 3.41Å; Q339-K343 PolarHBondContact O-N 3.27Å
340	A	64.4	Low	70.4	Confident	0 Å²	0	77 Å²	77	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-63.5	-45.1	176.3	0	0	0	0	0	111.5	L327 L330 K331 S336 K338 M344	L327-A340 HydrophobicContact CD2-CB 4.27Å; L330-A340 HydrophobicContact CB-CB 3.84Å; L330-A340 HydrophobicContact CD1-CB 4.42Å; K331-A340 HydrophobicContact CG-CB 4.44Å; S336-A340 PolarHBondContact O-N 3.36Å; K338-A340 PolarHBondContact O-N 3.29Å; A340-M344 WeakPolarHBondContact O-CB 3.42Å; A340-M344 PolarHBondContact O-N 2.67Å; A340-M344 VanDerWaalsContact O-N 3.15Å
341	V	69.1	Low	69.5	Low	61 Å²	61	82.5 Å²	82.5	37%	0.37	44%	0.441	S	S	.	.	H	α-helix	trans	-62.1	-50.8	175.2	165.2	0	0	0	0	110.7	L327 S337 K338 K343 M344 V345 L370	L327-V341 HydrophobicContact CD2-CG2 4.19Å; S337-V341 WeakPolarHBondContact O-CG2 3.48Å; S337-V341 PolarHBondContact O-N 2.69Å; K338-V341 PolarHBondContact O-N 2.9Å; V341-K343 PolarHBondContact O-N 2.78Å; V341-M344 WeakPolarHBondContact O-CB 3.3Å; V341-M344 PolarHBondContact O-N 2.69Å; V341-M344 VanDerWaalsContact O-N 3.13Å; V341-V345 HydrophobicContact CG1-CG2 4.41Å; V341-V345 WeakPolarHBondContact O-CG2 3.42Å; V341-V345 PolarHBondContact O-N 3.32Å; V341-L370 HydrophobicContact CB-CD1 4.22Å; V341-L370 HydrophobicContact CG1-CD1 3.67Å; V341-L370 HydrophobicContact CG2-CD1 3.96Å
342	E	71.8	Confident	68.5	Low	100 Å²	100	83.3 Å²	83.3	47%	0.467	45%	0.446	S	S	.	.	H	α-helix	trans	-62.9	-43.7	-177	-164.8	-170.8	159	0	0	112.4	K338 M344 V345 K346	K338-E342 WeakPolarHBondContact O-CB 3.5Å; K338-E342 PolarHBondContact O-N 3.11Å; E342-M344 VanDerWaalsContact C-N 3.25Å; E342-M344 PolarHBondContact O-N 3.44Å; E342-V345 PolarHBondContact O-N 2.9Å; E342-K346 WeakPolarHBondContact O-CB 3.3Å; E342-K346 WeakPolarHBondContact O-CG 3.18Å; E342-K346 PolarHBondContact O-N 3.33Å; E342-K346 VanDerWaalsContact OE1-CE 3.24Å; E342-K346 WeakPolarHBondContact OE1-CE 3.44Å; E342-K346 IonicContact OE1-NZ 3.98Å; E342-K346 PolarHBondContact OE1-NZ 3.45Å
343	K	72.1	Confident	67.5	Low	122 Å²	122	84.1 Å²	84.1	53%	0.53	44%	0.444	S	S	.	.	H	α-helix	trans	-63.3	-35.2	176.3	-165.7	173.2	-172.4	172.9	0	111.5	Q339 V341 S347	Q339-K343 VanDerWaalsContact O-CB 3.32Å; Q339-K343 WeakPolarHBondContact O-CB 3.41Å; Q339-K343 PolarHBondContact O-N 3.27Å; V341-K343 PolarHBondContact O-N 2.78Å; K343-S347 WeakPolarHBondContact O-CB 3.34Å; K343-S347 PolarHBondContact O-N 3.3Å
344	M	70	Confident	66.2	Low	13 Å²	13	91.8 Å²	91.8	6%	0.064	46%	0.457	C	S	.	.	H	α-helix	trans	-69.4	-45.9	177.2	-169.8	170.5	-164.2	0	0	111.9	Q323 L327 A340 V341 E342 K346 S347 K348 L370	Q323-M344 HydrophobicContact CB-CE 3.75Å; Q323-M344 HydrophobicContact CG-CE 3.47Å; Q323-M344 VanDerWaalsContact CG-CE 3.47Å; Q323-M344 HydrophobicContact CG-SD 3.86Å; L327-M344 HydrophobicContact CD1-SD 4.37Å; L327-M344 HydrophobicContact CD2-SD 3.95Å; L327-M344 HydrophobicContact CG-SD 3.88Å; A340-M344 WeakPolarHBondContact O-CB 3.42Å; A340-M344 PolarHBondContact O-N 2.67Å; A340-M344 VanDerWaalsContact O-N 3.15Å; V341-M344 WeakPolarHBondContact O-CB 3.3Å; V341-M344 PolarHBondContact O-N 2.69Å; V341-M344 VanDerWaalsContact O-N 3.13Å; E342-M344 VanDerWaalsContact C-N 3.25Å; E342-M344 PolarHBondContact O-N 3.44Å; M344-K346 VanDerWaalsContact C-N 3.34Å; M344-K346 PolarHBondContact O-N 2.88Å; M344-S347 PolarHBondContact O-N 3.1Å; M344-S347 VanDerWaalsContact O-N 3.15Å; M344-S347 PolarHBondContact O-OG 2.91Å; M344-K348 PolarHBondContact O-N 3.28Å; M344-L370 HydrophobicContact CB-CD2 4.29Å; M344-L370 HydrophobicContact CG-CD2 3.9Å; M344-L370 HydrophobicContact SD-CD2 3.81Å
345	V	69.2	Low	65.2	Low	27 Å²	27	91.5 Å²	91.5	16%	0.164	46%	0.455	C	S	.	.	H	α-helix	trans	-57.5	-48.7	174.2	173.2	0	0	0	0	109.9	V341 E342 S347 K348 Q349 P368 L370	V341-V345 HydrophobicContact CG1-CG2 4.41Å; V341-V345 WeakPolarHBondContact O-CG2 3.42Å; V341-V345 PolarHBondContact O-N 3.32Å; E342-V345 PolarHBondContact O-N 2.9Å; V345-S347 VanDerWaalsContact C-N 3.31Å; V345-S347 PolarHBondContact O-N 2.83Å; V345-K348 PolarHBondContact O-N 3.38Å; V345-K348 VanDerWaalsContact O-N 3.15Å; V345-Q349 WeakPolarHBondContact O-CG 3.35Å; V345-Q349 PolarHBondContact O-N 2.93Å; V345-P368 HydrophobicContact CG1-CG 3.95Å; V345-L370 HydrophobicContact CG2-CD2 4.16Å; V345-L370 HydrophobicContact CG2-CG 4.06Å
346	K	70.8	Confident	63.9	Low	112 Å²	112	92.5 Å²	92.5	49%	0.487	47%	0.466	S	S	.	.	H	α-helix	trans	-57.5	-42.1	175	-74.2	179.4	-176.5	171.6	0	112.2	E342 M344 K348 Q349 T350	E342-K346 WeakPolarHBondContact O-CB 3.3Å; E342-K346 WeakPolarHBondContact O-CG 3.18Å; E342-K346 PolarHBondContact O-N 3.33Å; E342-K346 VanDerWaalsContact OE1-CE 3.24Å; E342-K346 WeakPolarHBondContact OE1-CE 3.44Å; E342-K346 IonicContact OE1-NZ 3.98Å; E342-K346 PolarHBondContact OE1-NZ 3.45Å; M344-K346 VanDerWaalsContact C-N 3.34Å; M344-K346 PolarHBondContact O-N 2.88Å; K346-K348 PolarHBondContact O-N 2.85Å; K346-Q349 WeakPolarHBondContact O-CB 3.42Å; K346-Q349 PolarHBondContact O-N 3.5Å; K346-T350 PolarHBondContact O-N 3.17Å; K346-T350 PolarHBondContact O-OG1 3.37Å
347	S	68.1	Low	62.4	Low	56 Å²	56	98.8 Å²	98.8	39%	0.392	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-33.6	178.5	77.2	0	0	0	0	113.7	K343 M344 V345 K351	K343-S347 WeakPolarHBondContact O-CB 3.34Å; K343-S347 PolarHBondContact O-N 3.3Å; M344-S347 PolarHBondContact O-N 3.1Å; M344-S347 VanDerWaalsContact O-N 3.15Å; M344-S347 PolarHBondContact O-OG 2.91Å; V345-S347 VanDerWaalsContact C-N 3.31Å; V345-S347 PolarHBondContact O-N 2.83Å; S347-K351 PolarHBondContact O-N 3.02Å
348	K	65.1	Low	61	Low	58 Å²	58	100.8 Å²	100.8	25%	0.252	51%	0.505	S	S	.	.	H	α-helix	trans	-70.1	-44.3	172.2	-76.6	-168	179.9	-176.2	0	110.5	M344 V345 K346 T350 K351 Q352 P368	M344-K348 PolarHBondContact O-N 3.28Å; V345-K348 PolarHBondContact O-N 3.38Å; V345-K348 VanDerWaalsContact O-N 3.15Å; K346-K348 PolarHBondContact O-N 2.85Å; K348-T350 VanDerWaalsContact C-N 3.34Å; K348-T350 PolarHBondContact O-N 3.1Å; K348-K351 PolarHBondContact O-N 3.35Å; K348-Q352 WeakPolarHBondContact O-CB 3.4Å; K348-Q352 PolarHBondContact O-N 3.2Å; K348-P368 HydrophobicContact CB-CB 4.04Å; K348-P368 HydrophobicContact CB-CG 3.8Å; K348-P368 HydrophobicContact CD-CB 4.43Å
349	Q	62.9	Low	59.5	Low	69 Å²	69	99.1 Å²	99.1	32%	0.322	50%	0.504	S	S	.	.	H	α-helix	trans	-57.6	-44.8	175.6	-70.9	178.4	-27.2	0	0	112	V345 K346 K351 Q352 K353 P368	V345-Q349 WeakPolarHBondContact O-CG 3.35Å; V345-Q349 PolarHBondContact O-N 2.93Å; K346-Q349 WeakPolarHBondContact O-CB 3.42Å; K346-Q349 PolarHBondContact O-N 3.5Å; Q349-K351 VanDerWaalsContact C-N 3.33Å; Q349-K351 PolarHBondContact O-N 2.88Å; Q349-Q352 PolarHBondContact O-N 2.75Å; Q349-K353 PolarHBondContact O-N 3.5Å; Q349-P368 HydrophobicContact CB-CG 4.46Å; Q349-P368 HydrophobicContact CG-CG 3.43Å; Q349-P368 VanDerWaalsContact CG-CG 3.43Å
350	T	59.4	Low	58.1	Low	92 Å²	92	100.1 Å²	100.1	56%	0.564	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-35.8	179.5	0.7	0	0	0	0	112.4	K346 K348 R354	K346-T350 PolarHBondContact O-N 3.17Å; K346-T350 PolarHBondContact O-OG1 3.37Å; K348-T350 VanDerWaalsContact C-N 3.34Å; K348-T350 PolarHBondContact O-N 3.1Å; T350-R354 PolarHBondContact O-N 3.11Å
351	K	59.8	Low	56.7	Low	156 Å²	156	107.4 Å²	107.4	68%	0.678	55%	0.551	S	S	*	*	H	α-helix	trans	-70.2	-39	174.8	-79.9	-174	175	-172.6	0	112.3	S347 K348 Q349 R354 G355	S347-K351 PolarHBondContact O-N 3.02Å; K348-K351 PolarHBondContact O-N 3.35Å; Q349-K351 VanDerWaalsContact C-N 3.33Å; Q349-K351 PolarHBondContact O-N 2.88Å; K351-R354 PolarHBondContact O-N 3.43Å; K351-G355 PolarHBondContact O-N 3.05Å
352	Q	56.8	Low	55.2	Low	117 Å²	117	114.3 Å²	114.3	55%	0.547	57%	0.572	S	S	.	*	H	α-helix	trans	-68	-45.5	-179.2	-155	163.7	-0.2	0	0	110.8	K348 Q349 R354 G355 T356	K348-Q352 WeakPolarHBondContact O-CB 3.4Å; K348-Q352 PolarHBondContact O-N 3.2Å; Q349-Q352 PolarHBondContact O-N 2.75Å; Q352-R354 PolarHBondContact O-N 3.34Å; Q352-G355 PolarHBondContact O-N 2.9Å; Q352-T356 PolarHBondContact O-N 3.36Å; Q352-T356 PolarHBondContact O-OG1 3.22Å; Q352-T356 VanDerWaalsContact O-OG1 3.05Å
353	K	53.7	Low	53.4	Low	165 Å²	165	116.6 Å²	116.6	72%	0.717	59%	0.587	S	S	*	*	H	α-helix	trans	-60.5	-24.6	173.3	-71.9	-168	176.4	-165.2	0	114.3	Q349	Q349-K353 PolarHBondContact O-N 3.5Å
354	R	51.7	Low	52	Low	233 Å²	233	116.8 Å²	116.8	88%	0.879	59%	0.594	S	S	*	*	H	α-helix	trans	-81.5	-20.5	174.5	-81.1	-178.2	136.7	-176.5	-4.2	113.5	T350 K351 Q352	T350-R354 PolarHBondContact O-N 3.11Å; K351-R354 PolarHBondContact O-N 3.43Å; Q352-R354 PolarHBondContact O-N 3.34Å
355	G	52.4	Low	50.6	Low	65 Å²	65	123.9 Å²	123.9	67%	0.67	63%	0.627	S	S	*	*	H	α-helix	trans	-91.8	-31.9	-177.3	0	0	0	0	0	114	K351 Q352	K351-G355 PolarHBondContact O-N 3.05Å; Q352-G355 PolarHBondContact O-N 2.9Å
356	T	45.3	Very low	49.4	Very low	81 Å²	81	127.8 Å²	127.8	50%	0.497	65%	0.651	S	S	.	*	S	Bend	trans	-93.4	111.5	175.4	17.9	0	0	0	0	110.1	Q352 A358	Q352-T356 PolarHBondContact O-N 3.36Å; Q352-T356 PolarHBondContact O-OG1 3.22Å; Q352-T356 VanDerWaalsContact O-OG1 3.05Å; T356-A358 PolarHBondContact O-N 3.45Å
357	K	40	Very low	48.1	Very low	203 Å²	203	128.6 Å²	128.6	88%	0.883	65%	0.654	S	S	*	*			trans	-61.2	106	169.3	-72.8	179.5	176.9	178.9	0	108.3	D359	K357-D359 PolarHBondContact O-N 2.97Å
358	A	38.7	Very low	47.2	Very low	101 Å²	101	126.5 Å²	126.5	84%	0.835	64%	0.639	S	S	*	*	S	Bend	trans	30.7	5.2	148.6	0	0	0	0	0	123.4	T356	T356-A358 PolarHBondContact O-N 3.45Å
359	D	38.9	Very low	46.9	Very low	142 Å²	142	129.7 Å²	129.7	76%	0.759	66%	0.659	S	S	*	*			trans	-113.1	-6.3	-170.7	-140.1	20.2	0	0	0	114.3	K357 L361	K357-D359 PolarHBondContact O-N 2.97Å; D359-L361 PolarHBondContact O-N 2.84Å
360	D	40.2	Very low	46.8	Very low	129 Å²	129	128 Å²	128	69%	0.69	65%	0.652	S	S	*	*			trans	-98.7	82.3	172	-67.1	-37.3	0	0	0	109.8	Y362	D360-Y362 PolarHBondContact O-N 3.44Å; D360-Y362 VanDerWaalsContact O-N 3.09Å
361	L	34.3	Very low	47.1	Very low	154 Å²	154	125.5 Å²	125.5	81%	0.806	64%	0.635	S	S	*	*			trans	-72.4	19.6	177.2	-97.5	148.3	0	0	0	114.4	D359 D363	D359-L361 PolarHBondContact O-N 2.84Å; L361-D363 PolarHBondContact O-N 3.16Å
362	Y	37.8	Very low	47.4	Very low	206 Å²	206	125.2 Å²	125.2	81%	0.808	64%	0.636	S	S	*	*			trans	-92.4	87.4	178	-63.6	-72.5	0	0	0	110.3	D360 D364	D360-Y362 PolarHBondContact O-N 3.44Å; D360-Y362 VanDerWaalsContact O-N 3.09Å; Y362-D364 PolarHBondContact O-N 2.83Å
363	D	35.4	Very low	47.6	Very low	148 Å²	148	128.2 Å²	128.2	79%	0.791	64%	0.642	S	S	*	*			trans	-78	40.4	-177.9	-147.4	12.7	0	0	0	112.7	L361 E365	L361-D363 PolarHBondContact O-N 3.16Å; D363-E365 PolarHBondContact O-N 3.26Å
364	D	41.4	Very low	47.9	Very low	125 Å²	125	121.9 Å²	121.9	67%	0.668	62%	0.618	S	S	*	*			trans	-72.2	131	164.8	-91.1	-31	0	0	0	107.9	Y362 V366	Y362-D364 PolarHBondContact O-N 2.83Å; D364-V366 PolarHBondContact O-N 3.07Å
365	E	41.4	Very low	48.4	Very low	163 Å²	163	120.3 Å²	120.3	76%	0.762	62%	0.617	S	S	*	*			trans	-62	61.7	-179.8	-61	-172.3	155.7	0	0	112.7	D363 K367	D363-E365 PolarHBondContact O-N 3.26Å; E365-K367 PolarHBondContact O-N 3.38Å
366	V	43.9	Very low	48.8	Very low	108 Å²	108	120.7 Å²	120.7	66%	0.655	60%	0.604	S	S	*	*			trans	-70.7	79.9	168.2	-171.1	0	0	0	0	106.1	D364 P368	D364-V366 PolarHBondContact O-N 3.07Å; V366-P368 VanDerWaalsContact O-CD 3.23Å; V366-P368 WeakPolarHBondContact O-CD 3.4Å
367	K	43.4	Very low	49.8	Very low	130 Å²	130	120.4 Å²	120.4	57%	0.565	60%	0.595	S	S	*	*			trans	-51.6	115.3	161.2	-72	170.9	-174.9	158.8	0	104.4	E365 D369	E365-K367 PolarHBondContact O-N 3.38Å; K367-D369 PolarHBondContact O-N 2.91Å
368	P	49.4	Very low	51.2	Low	12 Å²	12	116.1 Å²	116.1	8%	0.078	58%	0.581	C	S	.	*			trans	-62.3	108.8	-179.3	22.2	-30.9	0	0	0	106.5	V345 K348 Q349 V366 L370	V345-P368 HydrophobicContact CG1-CG 3.95Å; K348-P368 HydrophobicContact CB-CB 4.04Å; K348-P368 HydrophobicContact CB-CG 3.8Å; K348-P368 HydrophobicContact CD-CB 4.43Å; Q349-P368 HydrophobicContact CB-CG 4.46Å; Q349-P368 HydrophobicContact CG-CG 3.43Å; Q349-P368 VanDerWaalsContact CG-CG 3.43Å; V366-P368 VanDerWaalsContact O-CD 3.23Å; V366-P368 WeakPolarHBondContact O-CD 3.4Å; P368-L370 PolarHBondContact O-N 2.83Å
369	D	57.6	Low	53.1	Low	124 Å²	124	112 Å²	112	66%	0.663	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-59.1	131.6	-179.5	-78.3	-37.8	0	0	0	108.3	K367 I371	K367-D369 PolarHBondContact O-N 2.91Å; D369-I371 PolarHBondContact O-N 3.25Å
370	L	60.3	Low	55.1	Low	34 Å²	34	110.6 Å²	110.6	18%	0.178	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-57.4	136.3	167.5	-76.9	-171.5	0	0	0	107.5	V341 M344 V345 P368 Q372	V341-L370 HydrophobicContact CB-CD1 4.22Å; V341-L370 HydrophobicContact CG1-CD1 3.67Å; V341-L370 HydrophobicContact CG2-CD1 3.96Å; M344-L370 HydrophobicContact CB-CD2 4.29Å; M344-L370 HydrophobicContact CG-CD2 3.9Å; M344-L370 HydrophobicContact SD-CD2 3.81Å; V345-L370 HydrophobicContact CG2-CD2 4.16Å; V345-L370 HydrophobicContact CG2-CG 4.06Å; P368-L370 PolarHBondContact O-N 2.83Å; L370-Q372 PolarHBondContact O-N 2.81Å
371	I	66.3	Low	57.2	Low	40 Å²	40	105 Å²	105	21%	0.205	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-56.4	116.9	175.1	-60.8	167.5	0	0	0	106.4	L316 D319 Y320 Q323 D369	L316-I371 HydrophobicContact CD1-CD1 4.48Å; L316-I371 HydrophobicContact CD1-CG2 3.64Å; L316-I371 HydrophobicContact CG-CG2 4.2Å; D319-I371 HydrophobicContact CB-CD1 3.87Å; Y320-I371 HydrophobicContact CD2-CB 4.43Å; Y320-I371 HydrophobicContact CD2-CG2 4.05Å; Y320-I371 VanDerWaalsContact CD2-O 3.3Å; Y320-I371 WeakPolarHBondContact CD2-O 3.39Å; Y320-I371 WeakPolarHBondContact CE2-O 3.36Å; Q323-I371 VanDerWaalsContact NE2-N 3.18Å; Q323-I371 PolarHBondContact NE2-O 3.07Å; D369-I371 PolarHBondContact O-N 3.25Å
372	Q	66	Low	59.4	Low	150 Å²	150	99.9 Å²	99.9	70%	0.701	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-80	153.8	175.7	-60.9	-171.6	8.9	0	0	108.5	L370 P374	L370-Q372 PolarHBondContact O-N 2.81Å; Q372-P374 WeakPolarHBondContact O-CD 3.24Å
373	R	62.1	Low	61.8	Low	180 Å²	180	90.8 Å²	90.8	68%	0.679	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-58.6	127.2	171.2	-164.6	178.7	176.3	-177.2	-2.4	107.3	Y320 K375	Y320-R373 HydrophobicContact CE1-CB 4.15Å; Y320-R373 HydrophobicContact CE1-CG 4Å; Y320-R373 HydrophobicContact CE2-CB 4.06Å; Y320-R373 VanDerWaalsContact CE2-N 3.34Å; Y320-R373 WeakPolarHBondContact OH-CB 3.41Å; R373-K375 PolarHBondContact O-N 2.94Å
374	P	59.6	Low	64.1	Low	32 Å²	32	86.4 Å²	86.4	21%	0.208	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-53.8	116.2	167.2	-19.8	30.9	0	0	0	106.9	L316 Q372 D376	L316-P374 HydrophobicContact CD2-CG 4.15Å; Q372-P374 WeakPolarHBondContact O-CD 3.24Å; P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 PolarHBondContact O-N 3.08Å
375	K	61.1	Low	66.2	Low	199 Å²	199	84.1 Å²	84.1	87%	0.865	41%	0.414	S	S	*	.			trans	-73.3	99.4	167.7	-72.3	-174.9	-177.5	177.2	0	104.3	R373 Y377	R373-K375 PolarHBondContact O-N 2.94Å; K375-Y377 PolarHBondContact O-N 3.03Å
376	D	61.1	Low	68.3	Low	74 Å²	74	77.3 Å²	77.3	40%	0.396	38%	0.384	S	S	.	.			trans	-59.3	113.2	173.3	-68.3	-49.6	0	0	0	107	K313 P374 L378	K313-D376 VanDerWaalsContact CE-OD1 3.3Å; K313-D376 WeakPolarHBondContact CE-OD1 3.32Å; K313-D376 IonicContact NZ-OD1 3.2Å; K313-D376 PolarHBondContact NZ-OD1 2.85Å; P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 PolarHBondContact O-N 3.08Å; D376-L378 HydrophobicContact CB-CD1 3.86Å; D376-L378 HydrophobicContact CB-CD2 4.4Å; D376-L378 HydrophobicContact CB-CG 3.76Å; D376-L378 PolarHBondContact O-N 3.32Å
377	Y	67.1	Low	70.2	Confident	74 Å²	74	75.6 Å²	75.6	29%	0.29	38%	0.375	S	S	.	.			trans	-68.8	91.5	167.2	175.8	-111.3	0	0	0	106.3	P106 K375 V379 R519 D543 E545	P106-Y377 HydrophobicContact CB-CD1 4.25Å; P106-Y377 HydrophobicContact CB-CE1 4.26Å; P106-Y377 HydrophobicContact CG-CD1 4.24Å; K375-Y377 PolarHBondContact O-N 3.03Å; Y377-V379 HydrophobicContact CD1-CG2 4.17Å; Y377-V379 HydrophobicContact CE1-CG2 3.43Å; Y377-V379 VanDerWaalsContact CE1-CG2 3.43Å; Y377-V379 HydrophobicContact CE2-CG2 4.1Å; Y377-V379 VanDerWaalsContact OH-CG2 3.29Å; Y377-V379 WeakPolarHBondContact OH-CG2 3.33Å; Y377-R519 PolarHBondContact OH-NH1 3.46Å; Y377-R519 PolarHBondContact OH-NH2 3Å; Y377-D543 WeakPolarHBondContact CE1-OD2 3.32Å; Y377-D543 PolarHBondContact OH-OD2 3.32Å; Y377-E545 HydrophobicContact CD1-CB 4.2Å; Y377-E545 HydrophobicContact CD1-CG 4.26Å; Y377-E545 HydrophobicContact CE1-CB 4.05Å; Y377-E545 HydrophobicContact CE1-CG 4.5Å
378	L	68.6	Low	72	Confident	113 Å²	113	75.3 Å²	75.3	59%	0.592	39%	0.386	S	S	*	.			trans	-96.9	110	-176.5	-74.5	154.9	0	0	0	107.9	D376	D376-L378 HydrophobicContact CB-CD1 3.86Å; D376-L378 HydrophobicContact CB-CD2 4.4Å; D376-L378 HydrophobicContact CB-CG 3.76Å; D376-L378 PolarHBondContact O-N 3.32Å
379	V	78.9	Confident	73.5	Confident	14 Å²	14	75.8 Å²	75.8	9%	0.085	39%	0.388	C	S	.	.			trans	-102.4	127.3	166.3	-171.8	0	0	0	0	106.5	Y377 F381 A549	Y377-V379 HydrophobicContact CD1-CG2 4.17Å; Y377-V379 HydrophobicContact CE1-CG2 3.43Å; Y377-V379 VanDerWaalsContact CE1-CG2 3.43Å; Y377-V379 HydrophobicContact CE2-CG2 4.1Å; Y377-V379 VanDerWaalsContact OH-CG2 3.29Å; Y377-V379 WeakPolarHBondContact OH-CG2 3.33Å; V379-F381 HydrophobicContact CG1-CD2 4.23Å; V379-F381 HydrophobicContact CG1-CE1 4.34Å; V379-F381 HydrophobicContact CG1-CE2 3.56Å; V379-F381 HydrophobicContact CG1-CZ 3.62Å; V379-A549 HydrophobicContact CB-CB 4.09Å; V379-A549 HydrophobicContact CG1-CB 3.9Å; V379-A549 WeakPolarHBondContact O-CB 3.41Å
380	K	81.1	Confident	74.5	Confident	114 Å²	114	75.5 Å²	75.5	50%	0.496	39%	0.387	S	S	.	.			trans	-136.7	120.5	170.7	-70.4	-163.6	171.1	-151.5	0	108.7	M497	K380-M497 HydrophobicContact CB-CE 4.26Å; K380-M497 HydrophobicContact CB-CG 4.35Å; K380-M497 PolarHBondContact N-O 3.35Å; K380-M497 CarbonylContact O-C 3.58Å; K380-M497 VanDerWaalsContact O-CG 3.29Å; K380-M497 WeakPolarHBondContact O-CG 3.48Å; K380-M497 VanDerWaalsContact O-O 3.06Å
381	F	84.2	Confident	75.2	Confident	10 Å²	10	78.5 Å²	78.5	4%	0.044	41%	0.408	C	S	.	.			trans	-93.2	141	166.7	-59.1	-68.3	0	0	0	108.1	V379 F383 V498 M522 S546 A549 L550 A553	V379-F381 HydrophobicContact CG1-CD2 4.23Å; V379-F381 HydrophobicContact CG1-CE1 4.34Å; V379-F381 HydrophobicContact CG1-CE2 3.56Å; V379-F381 HydrophobicContact CG1-CZ 3.62Å; F381-F383 HydrophobicContact CB-CE2 4.46Å; F381-F383 HydrophobicContact CB-CZ 4.47Å; F381-V498 HydrophobicContact CD1-CB 4.2Å; F381-V498 HydrophobicContact CD1-CG1 3.84Å; F381-V498 HydrophobicContact CE1-CB 3.71Å; F381-V498 HydrophobicContact CE1-CG1 3.83Å; F381-M522 HydrophobicContact CD1-CB 4.15Å; F381-M522 HydrophobicContact CD1-CE 3.57Å; F381-M522 HydrophobicContact CD1-SD 4.16Å; F381-M522 HydrophobicContact CD2-CE 3.7Å; F381-M522 HydrophobicContact CE1-CB 3.77Å; F381-M522 HydrophobicContact CE1-CE 3.46Å; F381-M522 VanDerWaalsContact CE1-CE 3.46Å; F381-M522 HydrophobicContact CE1-CG 4.25Å; F381-M522 HydrophobicContact CE1-SD 3.44Å; F381-M522 WeakPolarHBondContact CE1-SD 3.14Å; F381-M522 HydrophobicContact CE2-CE 3.6Å; F381-M522 HydrophobicContact CE2-SD 4.03Å; F381-M522 HydrophobicContact CG-CE 3.7Å; F381-M522 HydrophobicContact CZ-CE 3.48Å; F381-M522 VanDerWaalsContact CZ-CE 3.48Å; F381-M522 HydrophobicContact CZ-SD 3.37Å; F381-M522 WeakPolarHBondContact CZ-SD 3.4Å; F381-S546 WeakPolarHBondContact CE2-O 3.36Å; F381-A549 HydrophobicContact CD2-CB 3.6Å; F381-A549 HydrophobicContact CE2-CB 3.91Å; F381-L550 HydrophobicContact CD2-CB 4.06Å; F381-L550 HydrophobicContact CE2-CB 4.31Å; F381-A553 HydrophobicContact CB-CB 3.58Å; F381-A553 VanDerWaalsContact O-CB 3.3Å; F381-A553 WeakPolarHBondContact O-CB 3.31Å
382	A	81	Confident	75.5	Confident	48 Å²	48	80.5 Å²	80.5	40%	0.397	42%	0.424	S	S	.	.			trans	-140.9	114.5	173.4	0	0	0	0	0	107.7	M497	A382-M497 HydrophobicContact CB-CE 3.37Å
383	F	86.9	Confident	76.3	Confident	14 Å²	14	73.4 Å²	73.4	6%	0.061	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-96.7	124.4	174.3	-57.4	-66.2	0	0	0	108	F381 L525 A526 L533 L550 A553 Y557	F381-F383 HydrophobicContact CB-CE2 4.46Å; F381-F383 HydrophobicContact CB-CZ 4.47Å; F383-L525 HydrophobicContact CE1-CD2 4.01Å; F383-L525 HydrophobicContact CE1-CG 4.12Å; F383-L525 HydrophobicContact CZ-CD2 4.48Å; F383-A526 HydrophobicContact CD1-CB 4.22Å; F383-A526 HydrophobicContact CE1-CB 4.37Å; F383-L533 HydrophobicContact CB-CD1 4.45Å; F383-L533 HydrophobicContact CD1-CD1 4.27Å; F383-L533 HydrophobicContact CD2-CD1 3.94Å; F383-L533 HydrophobicContact CE2-CD1 4.24Å; F383-L533 HydrophobicContact CG-CD1 3.96Å; F383-L550 HydrophobicContact CE2-CD1 4.04Å; F383-L550 HydrophobicContact CZ-CD1 4.16Å; F383-A553 HydrophobicContact CD2-CB 3.8Å; F383-A553 HydrophobicContact CE2-CB 3.71Å; F383-Y557 HydrophobicContact CB-CD2 3.4Å; F383-Y557 VanDerWaalsContact CB-CD2 3.4Å; F383-Y557 HydrophobicContact CB-CE2 3.84Å; F383-Y557 HydrophobicContact CB-CG 3.98Å
384	P	84.5	Confident	77.5	Confident	56 Å²	56	65 Å²	65	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-69.8	140.2	-178.5	29.4	-35.1	0	0	0	111	A526 A529 Y557	P384-A526 VanDerWaalsContact CD-O 3.27Å; P384-A526 WeakPolarHBondContact CD-O 3.18Å; P384-A529 HydrophobicContact CB-CB 4.42Å; P384-A529 HydrophobicContact CG-CB 3.41Å; P384-A529 VanDerWaalsContact CG-CB 3.41Å; P384-Y557 WeakPolarHBondContact O-CE2 3.47Å
385	D	85.8	Confident	78.9	Confident	77 Å²	77	63.8 Å²	63.8	41%	0.412	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-66.6	131.4	-178.2	-75.1	-22.2	0	0	0	112.2	K558	D385-K558 HydrophobicContact CB-CB 4.43Å; D385-K558 WeakPolarHBondContact OD1-CB 3.41Å; D385-K558 WeakPolarHBondContact OD1-CG 3.42Å; D385-K558 PolarHBondContact OD1-N 3.47Å; D385-K558 VanDerWaalsContact OD1-N 3.1Å; D385-K558 WeakPolarHBondContact OD2-CD 3.33Å; D385-K558 WeakPolarHBondContact OD2-CE 3.43Å; D385-K558 IonicContact OD2-NZ 2.67Å; D385-K558 PolarHBondContact OD2-NZ 2.85Å
386	P	85.5	Confident	80.3	Confident	21 Å²	21	54.4 Å²	54.4	14%	0.136	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-78.8	153.9	178.9	30.7	-34.1	0	0	0	113	D531	P386-D531 HydrophobicContact CB-CB 3.85Å; P386-D531 WeakPolarHBondContact CB-OD1 3.4Å; P386-D531 HydrophobicContact CG-CB 4.43Å
387	P	83.3	Confident	81.6	Confident	72 Å²	72	54.2 Å²	54.2	47%	0.468	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66.2	151.4	171.1	29.7	-34.2	0	0	0	110.9	L389	P387-L389 PolarHBondContact O-N 2.95Å
388	P	81.2	Confident	82.7	Confident	123 Å²	123	54.9 Å²	54.9	80%	0.799	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-64.1	132.1	179.3	26.8	-34	0	0	0	111.3
389	L	81.2	Confident	83.5	Confident	23 Å²	23	49.6 Å²	49.6	12%	0.12	29%	0.289	C	S	.	.			trans	-115.3	146.5	175	-67.5	171.6	0	0	0	110.2	P387 I393 L419 R456 L457 D531	P387-L389 PolarHBondContact O-N 2.95Å; L389-I393 HydrophobicContact CB-CD1 3.52Å; L389-L419 HydrophobicContact CB-CD1 3.91Å; L389-L419 HydrophobicContact CG-CD1 4.41Å; L389-L419 VanDerWaalsContact N-CD1 3.33Å; L389-R456 HydrophobicContact CD2-CB 4.1Å; L389-L457 HydrophobicContact CD1-CD1 4.23Å; L389-D531 HydrophobicContact CD1-CB 4.19Å
390	N	78.8	Confident	83.9	Confident	117 Å²	117	49.4 Å²	49.4	63%	0.626	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-77.6	135.4	177.6	-64.9	-17.4	0	0	0	110.6	N454	N390-N454 PolarHBondContact O-ND2 2.54Å; N390-N454 VanDerWaalsContact O-ND2 3.09Å
391	P	74.3	Confident	84.1	Confident	97 Å²	97	44.6 Å²	44.6	63%	0.63	27%	0.268	S	S	*	.	S	Bend	trans	-60.3	154.1	170.6	-22.5	33.1	0	0	0	112.5
392	P	72.7	Confident	83.9	Confident	82 Å²	82	45 Å²	45	53%	0.532	27%	0.274	S	S	.	.	P	Polyproline II helix	cis	-76.5	140.3	-2.7	31.2	-33.9	0	0	0	111.9
393	I	83.7	Confident	83.7	Confident	2 Å²	2	46 Å²	46	1%	0.01	27%	0.268	C	S	.	.			trans	-87.5	-66.3	-179.3	-57.1	-61.1	0	0	0	110.4	L389 I417 L419 R453 N454 L457 V532	L389-I393 HydrophobicContact CB-CD1 3.52Å; I393-I417 WeakPolarHBondContact CB-O 3.37Å; I393-L419 HydrophobicContact CD1-CG 4.22Å; I393-L419 HydrophobicContact CG1-CG 4.3Å; I393-R453 WeakPolarHBondContact O-CA 3.33Å; I393-N454 PolarHBondContact O-N 3.2Å; I393-L457 HydrophobicContact CG2-CD1 3.67Å; I393-L457 HydrophobicContact CG2-CD2 3.87Å; I393-L457 HydrophobicContact CG2-CG 4.32Å; I393-V532 HydrophobicContact CG2-CG2 4.05Å
394	L	86.6	Confident	82.9	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	129.3	178.4	-175.2	60.2	0	0	0	109.7	I417 L440 V451 R452 R453 L457 I459 I534	L394-I417 HydrophobicContact CB-CD1 4.37Å; L394-I417 HydrophobicContact CD2-CD1 3.94Å; L394-I417 HydrophobicContact CG-CD1 4.29Å; L394-I417 PolarHBondContact N-O 3.25Å; L394-I417 PolarHBondContact O-N 3.44Å; L394-L440 HydrophobicContact CD1-CD1 4.37Å; L394-L440 HydrophobicContact CD2-CD1 3.85Å; L394-L440 HydrophobicContact CD2-CD2 4.37Å; L394-L440 HydrophobicContact CD2-CG 3.83Å; L394-L440 HydrophobicContact CG-CD1 3.71Å; L394-L440 HydrophobicContact CG-CG 4.26Å; L394-V451 HydrophobicContact CD1-CG1 4.49Å; L394-R452 WeakPolarHBondContact CA-O 3.24Å; L394-R453 HydrophobicContact CD1-CB 3.78Å; L394-L457 HydrophobicContact CB-CD2 3.95Å; L394-L457 HydrophobicContact CD2-CD2 4.43Å; L394-I459 HydrophobicContact CD2-CD1 3.76Å; L394-I534 HydrophobicContact CD2-CD1 4.41Å
395	G	88.3	Confident	81.8	Confident	5 Å²	5	60.7 Å²	60.7	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	160.2	179.5	0	0	0	0	0	114	F415 V451 R452	G395-F415 CarbonylContact C-O 3.52Å; G395-F415 WeakPolarHBondContact CA-O 3.39Å; G395-V451 CarbonylContact O-C 3.59Å; G395-V451 WeakPolarHBondContact O-CA 3.32Å; G395-R452 PolarHBondContact N-O 3Å; G395-R452 PolarHBondContact O-N 2.86Å
396	M	90.7	Very high	80.8	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.6	176.6	-64.4	-166.4	-73.2	0	0	108.8	V399 N414 F415 F436 L439 L440 V451	M396-V399 HydrophobicContact CB-CB 4.24Å; M396-V399 HydrophobicContact CB-CG2 3.74Å; M396-V399 HydrophobicContact CG-CG2 4.25Å; M396-V399 HydrophobicContact SD-CG1 4.44Å; M396-V399 HydrophobicContact SD-CG2 4.45Å; M396-N414 WeakPolarHBondContact O-CA 3.3Å; M396-F415 HydrophobicContact CB-CB 4.42Å; M396-F415 HydrophobicContact CE-CB 3.9Å; M396-F415 HydrophobicContact CE-CD1 4.3Å; M396-F415 HydrophobicContact CE-CG 4.43Å; M396-F415 PolarHBondContact N-O 2.89Å; M396-F415 PolarHBondContact O-N 3.02Å; M396-F436 HydrophobicContact CE-CD2 3.72Å; M396-F436 HydrophobicContact CE-CE1 4.13Å; M396-F436 HydrophobicContact CE-CE2 3.12Å; M396-F436 HydrophobicContact CE-CG 4.44Å; M396-F436 HydrophobicContact CE-CZ 3.36Å; M396-L439 HydrophobicContact SD-CB 4.19Å; M396-L440 HydrophobicContact CE-CB 4.37Å; M396-L440 HydrophobicContact CE-CD1 4.3Å; M396-L440 HydrophobicContact CG-CD1 4.21Å; M396-L440 HydrophobicContact SD-CB 4.44Å; M396-V451 HydrophobicContact CG-CG1 4.21Å; M396-V451 HydrophobicContact CG-CG2 4.02Å; M396-V451 HydrophobicContact SD-CG2 4.4Å
397	H	89.6	Confident	79.8	Confident	70 Å²	70	66.2 Å²	66.2	32%	0.324	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.9	-179.6	-63.2	-61.8	0	0	0	110	V399 G449 E450	H397-V399 PolarHBondContact O-N 3.49Å; H397-V399 VanDerWaalsContact O-N 3.15Å; H397-G449 VanDerWaalsContact O-CA 3.32Å; H397-G449 WeakPolarHBondContact O-CA 3.48Å; H397-E450 HydrophobicContact CB-CG 4.34Å; H397-E450 PolarHBondContact N-O 3.48Å; H397-E450 PolarHBondContact O-N 2.83Å; H397-E450 VanDerWaalsContact O-N 3.15Å
398	D	88.9	Confident	79.1	Confident	88 Å²	88	65.1 Å²	65.1	47%	0.471	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.3	41.5	-179.2	-64	-43.5	0	0	0	113.6	S400 V413 N414 G449	D398-S400 PolarHBondContact O-N 3.45Å; D398-V413 PolarHBondContact N-O 2.94Å; D398-N414 PolarHBondContact N-OD1 2.85Å; D398-N414 PolarHBondContact OD1-ND2 3.12Å; D398-G449 WeakPolarHBondContact O-CA 3.4Å
399	V	86	Confident	79	Confident	2 Å²	2	61 Å²	61	1%	0.012	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.6	-175.5	167.5	0	0	0	0	110.7	M396 H397 K412 V413 P446 E448 V451	M396-V399 HydrophobicContact CB-CB 4.24Å; M396-V399 HydrophobicContact CB-CG2 3.74Å; M396-V399 HydrophobicContact CG-CG2 4.25Å; M396-V399 HydrophobicContact SD-CG1 4.44Å; M396-V399 HydrophobicContact SD-CG2 4.45Å; H397-V399 PolarHBondContact O-N 3.49Å; H397-V399 VanDerWaalsContact O-N 3.15Å; V399-K412 PolarHBondContact O-N 3.4Å; V399-V413 PolarHBondContact N-O 2.95Å; V399-V413 PolarHBondContact O-N 2.91Å; V399-P446 HydrophobicContact CG1-CB 3.67Å; V399-P446 HydrophobicContact CG2-CB 4.3Å; V399-E448 CarbonylContact C-O 3.54Å; V399-E448 VanDerWaalsContact CA-O 3.28Å; V399-E448 WeakPolarHBondContact CA-O 3.29Å; V399-V451 HydrophobicContact CG2-CG2 4.32Å
400	S	86.5	Confident	79.2	Confident	10 Å²	10	60 Å²	60	7%	0.07	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.5	167.1	-51.4	0	0	0	0	109.3	D398 F410 K412 T447 E448	D398-S400 PolarHBondContact O-N 3.45Å; S400-F410 CarbonylContact C-O 3.59Å; S400-F410 WeakPolarHBondContact CA-O 3.18Å; S400-F410 WeakPolarHBondContact CB-O 3.32Å; S400-K412 PolarHBondContact OG-N 3.07Å; S400-T447 WeakPolarHBondContact O-CA 3.28Å; S400-T447 WeakPolarHBondContact O-CB 3.43Å; S400-T447 PolarHBondContact O-N 2.79Å; S400-E448 PolarHBondContact N-O 2.96Å; S400-E448 PolarHBondContact O-N 3.41Å; S400-E448 PolarHBondContact OG-OE2 3.3Å
401	F	85.9	Confident	79.4	Confident	14 Å²	14	58.7 Å²	58.7	6%	0.061	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	134.8	-179.8	177.9	-99.5	0	0	0	111.1	Y403 A408 L409 F410 T435 L439 L444	F401-Y403 HydrophobicContact CE1-CD1 4.3Å; F401-Y403 AromaticContact CE1-CD2 3.95Å; F401-Y403 HydrophobicContact CE1-CD2 3.95Å; F401-Y403 HydrophobicContact CE1-CE1 4.18Å; F401-Y403 AromaticContact CE1-CE2 3.82Å; F401-Y403 HydrophobicContact CE1-CE2 3.82Å; F401-Y403 HydrophobicContact CE1-CG 4.19Å; F401-Y403 AromaticContact CE1-CZ 3.94Å; F401-Y403 HydrophobicContact CZ-CD1 4.15Å; F401-Y403 HydrophobicContact CZ-CE1 4.12Å; F401-Y403 HydrophobicContact CZ-CG 4.38Å; F401-A408 CarbonylContact O-C 3.59Å; F401-L409 WeakPolarHBondContact O-CA 3.39Å; F401-L409 PolarHBondContact O-N 2.9Å; F401-F410 HydrophobicContact CB-CD2 4.42Å; F401-F410 PolarHBondContact N-O 3.2Å; F401-F410 PolarHBondContact O-N 3.25Å; F401-T435 HydrophobicContact CD1-CG2 3.93Å; F401-T435 HydrophobicContact CE1-CG2 3.59Å; F401-L439 HydrophobicContact CB-CD1 3.71Å; F401-L439 HydrophobicContact CB-CD2 4.14Å; F401-L439 HydrophobicContact CD1-CD1 3.95Å; F401-L439 HydrophobicContact CD1-CD2 4.47Å; F401-L439 HydrophobicContact CD2-CD2 3.74Å; F401-L439 HydrophobicContact CE2-CD2 4.26Å; F401-L439 HydrophobicContact CG-CD1 3.81Å; F401-L439 HydrophobicContact CG-CD2 3.85Å; F401-L439 HydrophobicContact CG-CG 4.36Å; F401-L444 HydrophobicContact CE1-CD1 4.32Å; F401-L444 HydrophobicContact CE2-CB 4.42Å; F401-L444 HydrophobicContact CZ-CD1 4Å
402	G	80.6	Confident	79.9	Confident	18 Å²	18	60.8 Å²	60.8	19%	0.186	31%	0.307	C	S	.	.			trans	-138.5	143.1	166.8	0	0	0	0	0	109.8	T447	G402-T447 PolarHBondContact N-OG1 3.08Å
403	Y	77.6	Confident	80.5	Confident	68 Å²	68	57 Å²	57	27%	0.267	28%	0.282	S	S	.	.			trans	-63.3	152.8	169.1	-71.3	-82.9	0	0	0	110	F401 N405 R406 L409 T435	F401-Y403 HydrophobicContact CE1-CD1 4.3Å; F401-Y403 AromaticContact CE1-CD2 3.95Å; F401-Y403 HydrophobicContact CE1-CD2 3.95Å; F401-Y403 HydrophobicContact CE1-CE1 4.18Å; F401-Y403 AromaticContact CE1-CE2 3.82Å; F401-Y403 HydrophobicContact CE1-CE2 3.82Å; F401-Y403 HydrophobicContact CE1-CG 4.19Å; F401-Y403 AromaticContact CE1-CZ 3.94Å; F401-Y403 HydrophobicContact CZ-CD1 4.15Å; F401-Y403 HydrophobicContact CZ-CE1 4.12Å; F401-Y403 HydrophobicContact CZ-CG 4.38Å; Y403-N405 PolarHBondContact O-N 3.49Å; Y403-R406 PolarHBondContact O-N 3.29Å; Y403-L409 HydrophobicContact CE2-CD2 4.14Å; Y403-T435 HydrophobicContact CE2-CG2 3.91Å; Y403-T435 VanDerWaalsContact OH-CG2 3.3Å; Y403-T435 WeakPolarHBondContact OH-CG2 3.42Å; Y403-T435 PolarHBondContact OH-OG1 2.93Å
404	K	69.1	Low	80.7	Confident	201 Å²	201	60 Å²	60	87%	0.874	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	133.9	-178.3	-68.5	-179.7	179.9	174.5	0	110.8	R406	K404-R406 PolarHBondContact O-N 3.46Å
405	N	61.4	Low	80.9	Confident	179 Å²	179	59.9 Å²	59.9	96%	0.957	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	23	-177.6	-64.9	-12.3	0	0	0	115.5	Y403	Y403-N405 PolarHBondContact O-N 3.49Å
406	R	64.3	Low	80.8	Confident	101 Å²	101	60.8 Å²	60.8	38%	0.381	31%	0.307	S	S	.	.	S	Bend	trans	-124.2	164.3	176.1	-61.7	-166.8	-172.1	163.5	9.3	112	N30 Y403 K404	N30-R406 PolarHBondContact O-NH1 3.47Å; N30-R406 PolarHBondContact O-NH2 3.09Å; Y403-R406 PolarHBondContact O-N 3.29Å; K404-R406 PolarHBondContact O-N 3.46Å
407	Q	65.7	Low	80.8	Confident	113 Å²	113	60.8 Å²	60.8	53%	0.528	31%	0.307	S	S	.	.			trans	-59.4	151	171.8	-58.9	-172.5	26	0	0	110.3	D27 L409	D27-Q407 PolarHBondContact OD2-NE2 3.3Å; Q407-L409 PolarHBondContact O-N 3.07Å; Q407-L409 VanDerWaalsContact O-N 3.15Å
408	A	68.8	Low	80.7	Confident	49 Å²	49	60.8 Å²	60.8	41%	0.405	31%	0.31	S	S	.	.			trans	-62.6	117.6	176	0	0	0	0	0	109.5	F401 F410 N411	F401-A408 CarbonylContact O-C 3.59Å; A408-F410 VanDerWaalsContact C-N 3.33Å; A408-N411 WeakPolarHBondContact CB-OD1 3.48Å
409	L	78.8	Confident	80.5	Confident	36 Å²	36	57.9 Å²	57.9	19%	0.188	29%	0.294	C	S	.	.	S	Bend	trans	-71.5	-33.1	175.9	-174.7	67.4	0	0	0	110.9	F401 Y403 Q407 T435 G584	F401-L409 WeakPolarHBondContact O-CA 3.39Å; F401-L409 PolarHBondContact O-N 2.9Å; Y403-L409 HydrophobicContact CE2-CD2 4.14Å; Q407-L409 PolarHBondContact O-N 3.07Å; Q407-L409 VanDerWaalsContact O-N 3.15Å; L409-T435 HydrophobicContact CD2-CG2 3.79Å; L409-G584 WeakPolarHBondContact O-CA 3.16Å
410	F	84.8	Confident	80.5	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.2	176.6	-64.2	-63.2	0	0	0	110.4	S400 F401 A408 V413 G432 T435 F436 L439 I581 G584	S400-F410 CarbonylContact C-O 3.59Å; S400-F410 WeakPolarHBondContact CA-O 3.18Å; S400-F410 WeakPolarHBondContact CB-O 3.32Å; F401-F410 HydrophobicContact CB-CD2 4.42Å; F401-F410 PolarHBondContact N-O 3.2Å; F401-F410 PolarHBondContact O-N 3.25Å; A408-F410 VanDerWaalsContact C-N 3.33Å; F410-V413 HydrophobicContact CB-CG2 3.9Å; F410-V413 HydrophobicContact CD1-CG2 4.08Å; F410-V413 HydrophobicContact CG-CG2 4.35Å; F410-G432 WeakPolarHBondContact CZ-O 3.19Å; F410-T435 HydrophobicContact CE2-CG2 4.26Å; F410-F436 HydrophobicContact CE1-CB 4.47Å; F410-F436 HydrophobicContact CE1-CD2 4.42Å; F410-F436 HydrophobicContact CE2-CB 4.06Å; F410-F436 HydrophobicContact CZ-CB 3.72Å; F410-F436 HydrophobicContact CZ-CD2 4.38Å; F410-L439 HydrophobicContact CD2-CD1 3.7Å; F410-L439 HydrophobicContact CE2-CD1 4.03Å; F410-I581 HydrophobicContact CE1-CG2 3.76Å; F410-I581 HydrophobicContact CZ-CG2 4.37Å; F410-G584 WeakPolarHBondContact CA-O 3.44Å
411	N	84.1	Confident	80.6	Confident	90 Å²	90	62.7 Å²	62.7	48%	0.481	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.6	-179.5	-69.6	-46.5	0	0	0	111	A408 V413 G584	A408-N411 WeakPolarHBondContact CB-OD1 3.48Å; N411-V413 VanDerWaalsContact C-N 3.32Å; N411-V413 PolarHBondContact O-N 3.25Å; N411-G584 PolarHBondContact N-O 3.48Å
412	K	83.4	Confident	80.8	Confident	141 Å²	141	65 Å²	65	61%	0.613	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.6	47.6	176.5	-61.7	-175.4	177.9	-178.5	0	114.2	V399 S400 N414	V399-K412 PolarHBondContact O-N 3.4Å; S400-K412 PolarHBondContact OG-N 3.07Å; K412-N414 PolarHBondContact O-ND2 2.89Å
413	V	85.8	Confident	81.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.4	-179.8	172.3	0	0	0	0	110.3	D398 V399 F410 N411 F436 I586	D398-V413 PolarHBondContact N-O 2.94Å; V399-V413 PolarHBondContact N-O 2.95Å; V399-V413 PolarHBondContact O-N 2.91Å; F410-V413 HydrophobicContact CB-CG2 3.9Å; F410-V413 HydrophobicContact CD1-CG2 4.08Å; F410-V413 HydrophobicContact CG-CG2 4.35Å; N411-V413 VanDerWaalsContact C-N 3.32Å; N411-V413 PolarHBondContact O-N 3.25Å; V413-F436 HydrophobicContact CG1-CE2 3.92Å; V413-I586 HydrophobicContact CG1-CB 4.46Å; V413-I586 HydrophobicContact CG1-CG2 3.49Å; V413-I586 VanDerWaalsContact CG1-CG2 3.49Å
414	N	87.6	Confident	82	Confident	65 Å²	65	61 Å²	61	35%	0.348	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.3	175.3	-76	-78.2	0	0	0	109.4	M396 D398 K412	M396-N414 WeakPolarHBondContact O-CA 3.3Å; D398-N414 PolarHBondContact N-OD1 2.85Å; D398-N414 PolarHBondContact OD1-ND2 3.12Å; K412-N414 PolarHBondContact O-ND2 2.89Å
415	F	90.2	Very high	83.1	Confident	3 Å²	3	51.4 Å²	51.4	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.2	-177.1	-171.8	-108.9	0	0	0	110.1	G395 M396 I417 I423 F436 L440 V562 W579 I586	G395-F415 CarbonylContact C-O 3.52Å; G395-F415 WeakPolarHBondContact CA-O 3.39Å; M396-F415 HydrophobicContact CB-CB 4.42Å; M396-F415 HydrophobicContact CE-CB 3.9Å; M396-F415 HydrophobicContact CE-CD1 4.3Å; M396-F415 HydrophobicContact CE-CG 4.43Å; M396-F415 PolarHBondContact N-O 2.89Å; M396-F415 PolarHBondContact O-N 3.02Å; F415-I417 HydrophobicContact CD1-CD1 4.41Å; F415-I417 HydrophobicContact CD1-CG1 4.19Å; F415-I417 HydrophobicContact CE1-CD1 3.71Å; F415-I417 HydrophobicContact CE1-CG1 3.51Å; F415-I417 HydrophobicContact CZ-CG1 4.1Å; F415-I423 HydrophobicContact CE2-CD1 3.67Å; F415-I423 HydrophobicContact CE2-CG2 4.43Å; F415-I423 HydrophobicContact CZ-CD1 3.59Å; F415-I423 HydrophobicContact CZ-CG2 4.32Å; F415-F436 HydrophobicContact CB-CE2 4.44Å; F415-F436 HydrophobicContact CB-CZ 4.02Å; F415-F436 HydrophobicContact CD1-CE1 4.18Å; F415-F436 AromaticContact CD1-CZ 3.7Å; F415-F436 HydrophobicContact CD1-CZ 3.7Å; F415-F436 AromaticContact CD2-CZ 3.92Å; F415-F436 HydrophobicContact CD2-CZ 3.92Å; F415-F436 HydrophobicContact CE1-CE1 4.1Å; F415-F436 HydrophobicContact CE1-CZ 4.04Å; F415-F436 HydrophobicContact CE2-CZ 4.28Å; F415-F436 HydrophobicContact CG-CE1 4.47Å; F415-F436 HydrophobicContact CG-CE2 4.49Å; F415-F436 AromaticContact CG-CZ 3.62Å; F415-F436 HydrophobicContact CG-CZ 3.62Å; F415-F436 HydrophobicContact CZ-CE1 4.38Å; F415-F436 HydrophobicContact CZ-CZ 4.34Å; F415-L440 HydrophobicContact CD1-CD1 4.05Å; F415-L440 HydrophobicContact CD1-CD2 4.45Å; F415-L440 HydrophobicContact CE1-CD1 4.4Å; F415-L440 HydrophobicContact CE1-CD2 4.06Å; F415-V562 HydrophobicContact CE1-CG2 4.47Å; F415-V562 HydrophobicContact CZ-CG2 4.4Å; F415-W579 HydrophobicContact CD2-CD2 4.5Å; F415-W579 AromaticContact CD2-CE3 3.73Å; F415-W579 HydrophobicContact CD2-CE3 3.73Å; F415-W579 AromaticContact CD2-CH2 3.91Å; F415-W579 HydrophobicContact CD2-CH2 3.91Å; F415-W579 AromaticContact CD2-CZ3 3.42Å; F415-W579 HydrophobicContact CD2-CZ3 3.42Å; F415-W579 VanDerWaalsContact CD2-CZ3 3.42Å; F415-W579 AromaticContact CE2-CD2 3.98Å; F415-W579 HydrophobicContact CE2-CD2 3.98Å; F415-W579 AromaticContact CE2-CE3 3.63Å; F415-W579 HydrophobicContact CE2-CE3 3.63Å; F415-W579 HydrophobicContact CE2-CH2 4.14Å; F415-W579 HydrophobicContact CE2-CZ2 4.44Å; F415-W579 AromaticContact CE2-CZ3 3.75Å; F415-W579 HydrophobicContact CE2-CZ3 3.75Å; F415-I586 HydrophobicContact CD2-CD1 4.14Å; F415-I586 HydrophobicContact CE2-CD1 4.12Å
416	G	87.4	Confident	84.3	Confident	24 Å²	24	42.9 Å²	42.9	25%	0.247	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	139.2	-179.5	0	0	0	0	0	110.9
417	I	89.7	Confident	85.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.8	-178.2	-54.3	156.3	0	0	0	107.5	I393 L394 F415 T421 L440 V532 V562	I393-I417 WeakPolarHBondContact CB-O 3.37Å; L394-I417 HydrophobicContact CB-CD1 4.37Å; L394-I417 HydrophobicContact CD2-CD1 3.94Å; L394-I417 HydrophobicContact CG-CD1 4.29Å; L394-I417 PolarHBondContact N-O 3.25Å; L394-I417 PolarHBondContact O-N 3.44Å; F415-I417 HydrophobicContact CD1-CD1 4.41Å; F415-I417 HydrophobicContact CD1-CG1 4.19Å; F415-I417 HydrophobicContact CE1-CD1 3.71Å; F415-I417 HydrophobicContact CE1-CG1 3.51Å; F415-I417 HydrophobicContact CZ-CG1 4.1Å; I417-T421 HydrophobicContact CG2-CG2 4.32Å; I417-L440 HydrophobicContact CD1-CD1 4.1Å; I417-L440 HydrophobicContact CD1-CD2 3.7Å; I417-L440 HydrophobicContact CD1-CG 4.36Å; I417-V532 HydrophobicContact CG2-CG1 4.48Å; I417-V562 HydrophobicContact CD1-CG2 3.44Å; I417-V562 VanDerWaalsContact CD1-CG2 3.44Å; I417-V562 HydrophobicContact CG1-CG2 3.71Å; I417-V562 HydrophobicContact CG2-CG2 4.3Å
418	D	88.1	Confident	85.9	Confident	71 Å²	71	34.6 Å²	34.6	38%	0.38	20%	0.196	S	C	.	.			trans	-111.8	172.3	166.2	-64.8	-44.7	0	0	0	110.3	S420 T421	D418-S420 PolarHBondContact O-N 2.86Å; D418-T421 PolarHBondContact N-OG1 3.41Å; D418-T421 WeakPolarHBondContact O-CB 3.36Å; D418-T421 PolarHBondContact O-N 3.33Å
419	L	85.5	Confident	86.5	Confident	27 Å²	27	34.4 Å²	34.4	14%	0.141	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.6	178.6	-69.7	177.9	0	0	0	113.8	L389 I393 D531 V532 G559 G560	L389-L419 HydrophobicContact CB-CD1 3.91Å; L389-L419 HydrophobicContact CG-CD1 4.41Å; L389-L419 VanDerWaalsContact N-CD1 3.33Å; I393-L419 HydrophobicContact CD1-CG 4.22Å; I393-L419 HydrophobicContact CG1-CG 4.3Å; L419-D531 HydrophobicContact CD2-CB 4.22Å; L419-V532 HydrophobicContact CD2-CG2 4.33Å; L419-G559 CarbonylContact O-C 3.03Å; L419-G559 WeakPolarHBondContact O-CA 3.38Å; L419-G560 PolarHBondContact O-N 3.09Å
420	S	84.8	Confident	86.2	Confident	93 Å²	93	34.4 Å²	34.4	65%	0.65	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.4	175	57.8	0	0	0	0	113.4	D418	D418-S420 PolarHBondContact O-N 2.86Å
421	T	88.6	Confident	85.9	Confident	20 Å²	20	35.3 Å²	35.3	12%	0.123	20%	0.202	C	C	.	.			trans	-76.9	128.6	-175.3	-59.8	0	0	0	0	110.1	I417 D418 I423 G560 V561	I417-T421 HydrophobicContact CG2-CG2 4.32Å; D418-T421 PolarHBondContact N-OG1 3.41Å; D418-T421 WeakPolarHBondContact O-CB 3.36Å; D418-T421 PolarHBondContact O-N 3.33Å; T421-I423 HydrophobicContact CG2-CD1 3.34Å; T421-I423 HydrophobicContact CG2-CG1 3.57Å; T421-G560 WeakPolarHBondContact O-CA 3.33Å; T421-V561 PolarHBondContact O-N 2.69Å
422	R	90.2	Very high	85.7	Confident	63 Å²	63	31.4 Å²	31.4	24%	0.238	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.4	173.8	-64.3	-173.2	-177.8	87.6	2.4	108.4	Y557 V561 Q577	R422-Y557 PolarHBondContact NH2-O 3.35Å; R422-V561 CarbonylContact C-O 3.57Å; R422-V561 WeakPolarHBondContact CA-O 3.41Å; R422-Q577 PolarHBondContact O-N 3.14Å
423	I	92.2	Very high	85.9	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.1	-175.4	-68.6	168.8	0	0	0	109.5	F415 T421 I425 V561 V562 M563 Q577 W579	F415-I423 HydrophobicContact CE2-CD1 3.67Å; F415-I423 HydrophobicContact CE2-CG2 4.43Å; F415-I423 HydrophobicContact CZ-CD1 3.59Å; F415-I423 HydrophobicContact CZ-CG2 4.32Å; T421-I423 HydrophobicContact CG2-CD1 3.34Å; T421-I423 HydrophobicContact CG2-CG1 3.57Å; I423-I425 HydrophobicContact CG2-CG1 3.85Å; I423-V561 PolarHBondContact N-O 3.32Å; I423-V562 HydrophobicContact CB-CG2 4.49Å; I423-V562 WeakPolarHBondContact O-CA 3.42Å; I423-M563 PolarHBondContact O-N 3.04Å; I423-Q577 WeakPolarHBondContact CA-O 3.47Å; I423-Q577 HydrophobicContact CG1-CB 4.47Å; I423-W579 HydrophobicContact CD1-CZ2 4.32Å; I423-W579 HydrophobicContact CG2-CB 3.92Å; I423-W579 HydrophobicContact CG2-CD2 4.34Å; I423-W579 HydrophobicContact CG2-CG 3.66Å
424	A	91.5	Very high	85.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120	166.9	0	0	0	0	0	108.7	M563 I571 C576 Q577 L578 W579	A424-M563 CarbonylContact C-O 3.59Å; A424-M563 WeakPolarHBondContact CA-O 3.48Å; A424-M563 HydrophobicContact CB-CG 4.07Å; A424-I571 HydrophobicContact CB-CG1 4.2Å; A424-C576 HydrophobicContact CB-CB 3.86Å; A424-Q577 PolarHBondContact N-O 3.06Å; A424-L578 HydrophobicContact CB-CD1 4.38Å; A424-W579 PolarHBondContact O-N 3.11Å
425	I	91.6	Very high	85.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.2	178.8	-58	178.7	0	0	0	108.6	I423 F436 V562 M563 V564 T565 W579 I581 I586	I423-I425 HydrophobicContact CG2-CG1 3.85Å; I425-F436 HydrophobicContact CD1-CD1 3.96Å; I425-F436 HydrophobicContact CD1-CE1 3.61Å; I425-V562 HydrophobicContact CD1-CG1 3.74Å; I425-V562 HydrophobicContact CG1-CG1 4.29Å; I425-M563 PolarHBondContact N-O 3.43Å; I425-V564 HydrophobicContact CB-CG2 4.01Å; I425-V564 HydrophobicContact CG2-CG2 4.35Å; I425-V564 WeakPolarHBondContact O-CA 3.34Å; I425-T565 PolarHBondContact O-N 2.92Å; I425-W579 CarbonylContact C-O 3.53Å; I425-W579 WeakPolarHBondContact CA-O 3.47Å; I425-W579 HydrophobicContact CG1-CB 4.37Å; I425-I581 HydrophobicContact CG2-CD1 3.57Å; I425-I581 HydrophobicContact CG2-CG1 3.78Å; I425-I586 HydrophobicContact CD1-CD1 4.18Å; I425-I586 HydrophobicContact CG1-CD1 4.49Å
426	V	87.8	Confident	85.7	Confident	0 Å²	0	25 Å²	25	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	158.3	173.9	-66	0	0	0	0	110.4	T565 I571 L578 W579 I580 I581 I589 Y596	V426-T565 WeakPolarHBondContact CG1-O 3.42Å; V426-I571 HydrophobicContact CG1-CD1 3.82Å; V426-L578 HydrophobicContact CB-CD1 4.31Å; V426-L578 HydrophobicContact CG1-CD1 3.64Å; V426-L578 HydrophobicContact CG2-CD1 3.68Å; V426-L578 HydrophobicContact CG2-CD2 4.43Å; V426-L578 HydrophobicContact CG2-CG 4.05Å; V426-W579 WeakPolarHBondContact CG2-O 3.45Å; V426-W579 PolarHBondContact N-O 3.33Å; V426-I580 HydrophobicContact CG2-CB 4.3Å; V426-I580 HydrophobicContact CG2-CG1 4.4Å; V426-I580 VanDerWaalsContact O-CA 3.29Å; V426-I580 WeakPolarHBondContact O-CA 3.47Å; V426-I581 PolarHBondContact O-N 2.81Å; V426-I581 VanDerWaalsContact O-N 3.07Å; V426-I589 HydrophobicContact CG2-CD1 4.35Å; V426-Y596 HydrophobicContact CB-CE1 4.03Å; V426-Y596 HydrophobicContact CG2-CD1 4.23Å; V426-Y596 HydrophobicContact CG2-CE1 3.59Å
427	G	84.4	Confident	85.8	Confident	2 Å²	2	24.2 Å²	24.2	2%	0.021	15%	0.15	C	C	.	.			trans	162.6	159.6	173.8	0	0	0	0	0	112.2	K433 H566	G427-K433 PolarHBondContact O-NZ 2.92Å; G427-H566 PolarHBondContact O-CE1 3.26Å
428	P	79.5	Confident	85.7	Confident	37 Å²	37	27.3 Å²	27.3	24%	0.24	16%	0.163	C	C	.	.			trans	-55.5	159	179.6	-23.8	33.9	0	0	0	113.2	V431	P428-V431 WeakPolarHBondContact O-CG1 3.29Å
429	N	79.8	Confident	85.7	Confident	45 Å²	45	24 Å²	24	24%	0.241	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	144.2	173.7	-81.7	1.1	0	0	0	111.6	W225 R228 H250 D252 V431 K433	W225-N429 HydrophobicContact CZ2-CB 4.36Å; R228-N429 PolarHBondContact NH2-ND2 3.34Å; H250-N429 PolarHBondContact O-ND2 2.99Å; H250-N429 VanDerWaalsContact O-ND2 3.16Å; D252-N429 HydrophobicContact CB-CB 4.48Å; N429-V431 VanDerWaalsContact C-N 3.29Å; N429-V431 PolarHBondContact O-N 2.82Å; N429-K433 PolarHBondContact OD1-NZ 3.24Å
430	G	73.5	Confident	85.8	Confident	36 Å²	36	22.7 Å²	22.7	37%	0.371	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-3.4	-178.3	0	0	0	0	0	115.4	G432	G430-G432 PolarHBondContact O-N 3.42Å
431	V	78.8	Confident	86	Confident	20 Å²	20	19.4 Å²	19.4	12%	0.121	11%	0.114	C	C	.	.	S	Bend	trans	-73.5	-6.7	178.1	80.6	0	0	0	0	113.8	P428 N429 K433 I581	P428-V431 WeakPolarHBondContact O-CG1 3.29Å; N429-V431 VanDerWaalsContact C-N 3.29Å; N429-V431 PolarHBondContact O-N 2.82Å; V431-K433 HydrophobicContact CG1-CD 4.39Å; V431-K433 HydrophobicContact CG1-CG 3.8Å; V431-I581 HydrophobicContact CB-CG2 4.43Å; V431-I581 HydrophobicContact CG1-CB 4.03Å; V431-I581 HydrophobicContact CG1-CG2 3.76Å; V431-I581 HydrophobicContact CG2-CG2 3.99Å; V431-I581 WeakPolarHBondContact CG2-O 3.38Å
432	G	80.1	Confident	85.8	Confident	9 Å²	9	20.5 Å²	20.5	9%	0.093	13%	0.129	C	C	.	.	S	Bend	trans	99.6	19.6	177.9	0	0	0	0	0	115.9	F410 G430 S434 T435 F436	F410-G432 WeakPolarHBondContact CZ-O 3.19Å; G430-G432 PolarHBondContact O-N 3.42Å; G432-S434 PolarHBondContact O-N 2.87Å; G432-T435 CarbonylContact O-C 3.51Å; G432-T435 WeakPolarHBondContact O-CA 3.38Å; G432-T435 WeakPolarHBondContact O-CB 3.37Å; G432-T435 PolarHBondContact O-N 2.8Å; G432-T435 VanDerWaalsContact O-N 3.08Å; G432-F436 WeakPolarHBondContact O-CB 3.47Å; G432-F436 PolarHBondContact O-N 2.77Å
433	K	87.3	Confident	85.6	Confident	12 Å²	12	21.9 Å²	21.9	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-51.9	-53.5	178.8	-61.9	172.3	-58.9	-157.6	0	112.6	G427 N429 V431 T435 F436 L437 V564 H566 I581	G427-K433 PolarHBondContact O-NZ 2.92Å; N429-K433 PolarHBondContact OD1-NZ 3.24Å; V431-K433 HydrophobicContact CG1-CD 4.39Å; V431-K433 HydrophobicContact CG1-CG 3.8Å; K433-T435 VanDerWaalsContact C-N 3.32Å; K433-T435 PolarHBondContact O-N 2.83Å; K433-F436 WeakPolarHBondContact O-CB 3.33Å; K433-F436 PolarHBondContact O-N 3.19Å; K433-L437 PolarHBondContact O-N 3.5Å; K433-V564 HydrophobicContact CB-CG1 4.06Å; K433-V564 HydrophobicContact CB-CG2 4.34Å; K433-V564 HydrophobicContact CD-CG1 3.82Å; K433-V564 HydrophobicContact CG-CG1 4.38Å; K433-H566 PolarHBondContact NZ-CE1 2.77Å; K433-H566 VanDerWaalsContact NZ-CE1 3.35Å; K433-H566 PolarHBondContact NZ-NE2 3.03Å; K433-I581 HydrophobicContact CG-CD1 4.23Å
434	S	84.5	Confident	85.3	Confident	47 Å²	47	23.9 Å²	23.9	33%	0.329	15%	0.152	S	C	.	.	H	α-helix	trans	-67.1	-33.7	177.4	-48.8	0	0	0	0	112.1	G432 F436 L437 K438 D536	G432-S434 PolarHBondContact O-N 2.87Å; S434-F436 VanDerWaalsContact C-N 3.34Å; S434-L437 PolarHBondContact O-N 2.87Å; S434-K438 WeakPolarHBondContact O-CG 3.47Å; S434-K438 PolarHBondContact O-N 3.17Å; S434-D536 VanDerWaalsContact CB-OD2 3.32Å; S434-D536 WeakPolarHBondContact CB-OD2 3.46Å; S434-D536 PolarHBondContact OG-OD2 3.25Å
435	T	85.3	Confident	85	Confident	17 Å²	17	29.5 Å²	29.5	10%	0.104	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-40.1	172.9	-53.1	0	0	0	0	111.6	F401 Y403 L409 F410 G432 K433 K438 L439 L444	F401-T435 HydrophobicContact CD1-CG2 3.93Å; F401-T435 HydrophobicContact CE1-CG2 3.59Å; Y403-T435 HydrophobicContact CE2-CG2 3.91Å; Y403-T435 VanDerWaalsContact OH-CG2 3.3Å; Y403-T435 WeakPolarHBondContact OH-CG2 3.42Å; Y403-T435 PolarHBondContact OH-OG1 2.93Å; L409-T435 HydrophobicContact CD2-CG2 3.79Å; F410-T435 HydrophobicContact CE2-CG2 4.26Å; G432-T435 CarbonylContact O-C 3.51Å; G432-T435 WeakPolarHBondContact O-CA 3.38Å; G432-T435 WeakPolarHBondContact O-CB 3.37Å; G432-T435 PolarHBondContact O-N 2.8Å; G432-T435 VanDerWaalsContact O-N 3.08Å; K433-T435 VanDerWaalsContact C-N 3.32Å; K433-T435 PolarHBondContact O-N 2.83Å; T435-K438 PolarHBondContact O-N 2.83Å; T435-L439 HydrophobicContact CG2-CD1 4.42Å; T435-L439 WeakPolarHBondContact O-CG 3.35Å; T435-L439 PolarHBondContact O-N 3.43Å; T435-L444 HydrophobicContact CG2-CD1 3.81Å
436	F	89.2	Confident	84.8	Confident	1 Å²	1	31.2 Å²	31.2	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-43.6	174.6	175.7	-90	0	0	0	111.2	M396 F410 V413 F415 I425 G432 K433 S434 L439 L440 I581 I586	M396-F436 HydrophobicContact CE-CD2 3.72Å; M396-F436 HydrophobicContact CE-CE1 4.13Å; M396-F436 HydrophobicContact CE-CE2 3.12Å; M396-F436 HydrophobicContact CE-CG 4.44Å; M396-F436 HydrophobicContact CE-CZ 3.36Å; F410-F436 HydrophobicContact CE1-CB 4.47Å; F410-F436 HydrophobicContact CE1-CD2 4.42Å; F410-F436 HydrophobicContact CE2-CB 4.06Å; F410-F436 HydrophobicContact CZ-CB 3.72Å; F410-F436 HydrophobicContact CZ-CD2 4.38Å; V413-F436 HydrophobicContact CG1-CE2 3.92Å; F415-F436 HydrophobicContact CB-CE2 4.44Å; F415-F436 HydrophobicContact CB-CZ 4.02Å; F415-F436 HydrophobicContact CD1-CE1 4.18Å; F415-F436 AromaticContact CD1-CZ 3.7Å; F415-F436 HydrophobicContact CD1-CZ 3.7Å; F415-F436 AromaticContact CD2-CZ 3.92Å; F415-F436 HydrophobicContact CD2-CZ 3.92Å; F415-F436 HydrophobicContact CE1-CE1 4.1Å; F415-F436 HydrophobicContact CE1-CZ 4.04Å; F415-F436 HydrophobicContact CE2-CZ 4.28Å; F415-F436 HydrophobicContact CG-CE1 4.47Å; F415-F436 HydrophobicContact CG-CE2 4.49Å; F415-F436 AromaticContact CG-CZ 3.62Å; F415-F436 HydrophobicContact CG-CZ 3.62Å; F415-F436 HydrophobicContact CZ-CE1 4.38Å; F415-F436 HydrophobicContact CZ-CZ 4.34Å; I425-F436 HydrophobicContact CD1-CD1 3.96Å; I425-F436 HydrophobicContact CD1-CE1 3.61Å; G432-F436 WeakPolarHBondContact O-CB 3.47Å; G432-F436 PolarHBondContact O-N 2.77Å; K433-F436 WeakPolarHBondContact O-CB 3.33Å; K433-F436 PolarHBondContact O-N 3.19Å; S434-F436 VanDerWaalsContact C-N 3.34Å; F436-L439 PolarHBondContact O-N 3.34Å; F436-L440 WeakPolarHBondContact O-CB 3.4Å; F436-L440 PolarHBondContact O-N 3.43Å; F436-I581 HydrophobicContact CB-CD1 3.89Å; F436-I581 HydrophobicContact CD1-CD1 4.1Å; F436-I581 HydrophobicContact CD2-CD1 4.28Å; F436-I581 HydrophobicContact CG-CD1 3.84Å; F436-I586 HydrophobicContact CE1-CD1 3.96Å; F436-I586 HydrophobicContact CE2-CB 4.39Å; F436-I586 HydrophobicContact CE2-CD1 3.87Å; F436-I586 HydrophobicContact CE2-CG2 4.13Å; F436-I586 HydrophobicContact CZ-CD1 3.51Å; F436-I586 HydrophobicContact CZ-CG2 4.49Å
437	L	89.4	Confident	84.7	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-41.6	174.1	-64	-175.2	0	0	0	112.1	K433 S434 L439 L440 L441 I534 D536 V562 V564	K433-L437 PolarHBondContact O-N 3.5Å; S434-L437 PolarHBondContact O-N 2.87Å; L437-L439 PolarHBondContact O-N 2.94Å; L437-L440 WeakPolarHBondContact O-CB 3.43Å; L437-L440 PolarHBondContact O-N 2.95Å; L437-L441 WeakPolarHBondContact O-CB 3.38Å; L437-L441 VanDerWaalsContact O-CG 3.3Å; L437-L441 WeakPolarHBondContact O-CG 3.11Å; L437-L441 PolarHBondContact O-N 3.18Å; L437-I534 HydrophobicContact CB-CG2 4.38Å; L437-I534 HydrophobicContact CD1-CG2 3.93Å; L437-I534 HydrophobicContact CD2-CG2 3.73Å; L437-I534 HydrophobicContact CG-CG2 4.22Å; L437-D536 HydrophobicContact CD1-CB 3.61Å; L437-V562 HydrophobicContact CD2-CG1 4.22Å; L437-V564 HydrophobicContact CD1-CG2 3.68Å; L437-V564 HydrophobicContact CD2-CG2 4.24Å; L437-V564 HydrophobicContact CG-CG2 4.06Å
438	K	88.6	Confident	84.8	Confident	66 Å²	66	41.2 Å²	41.2	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-39.5	175.3	-73.2	175.3	-177.7	-178.8	0	112.3	S434 T435 G442 D443 L444	S434-K438 WeakPolarHBondContact O-CG 3.47Å; S434-K438 PolarHBondContact O-N 3.17Å; T435-K438 PolarHBondContact O-N 2.83Å; K438-G442 PolarHBondContact O-N 2.91Å; K438-G442 VanDerWaalsContact O-N 3.13Å; K438-D443 HydrophobicContact CB-CB 4.18Å; K438-D443 PolarHBondContact O-N 3.03Å; K438-L444 HydrophobicContact CB-CD1 3.78Å; K438-L444 HydrophobicContact CB-CG 3.98Å; K438-L444 HydrophobicContact CD-CD1 4.31Å; K438-L444 PolarHBondContact O-N 3.43Å
439	L	87.5	Confident	85.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-45.2	173.1	-74.3	166	0	0	0	111.4	M396 F401 F410 T435 F436 L437 L441 G442 L444	M396-L439 HydrophobicContact SD-CB 4.19Å; F401-L439 HydrophobicContact CB-CD1 3.71Å; F401-L439 HydrophobicContact CB-CD2 4.14Å; F401-L439 HydrophobicContact CD1-CD1 3.95Å; F401-L439 HydrophobicContact CD1-CD2 4.47Å; F401-L439 HydrophobicContact CD2-CD2 3.74Å; F401-L439 HydrophobicContact CE2-CD2 4.26Å; F401-L439 HydrophobicContact CG-CD1 3.81Å; F401-L439 HydrophobicContact CG-CD2 3.85Å; F401-L439 HydrophobicContact CG-CG 4.36Å; F410-L439 HydrophobicContact CD2-CD1 3.7Å; F410-L439 HydrophobicContact CE2-CD1 4.03Å; T435-L439 HydrophobicContact CG2-CD1 4.42Å; T435-L439 WeakPolarHBondContact O-CG 3.35Å; T435-L439 PolarHBondContact O-N 3.43Å; F436-L439 PolarHBondContact O-N 3.34Å; L437-L439 PolarHBondContact O-N 2.94Å; L439-L441 VanDerWaalsContact C-N 3.32Å; L439-L441 PolarHBondContact O-N 2.76Å; L439-G442 PolarHBondContact O-N 3.35Å; L439-G442 VanDerWaalsContact O-N 3.09Å; L439-L444 HydrophobicContact CD2-CB 3.69Å; L439-L444 HydrophobicContact CG-CB 4.15Å
440	L	88.1	Confident	85.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-37.9	178.9	-179	66.2	0	0	0	112.4	L394 M396 F415 I417 F436 L437 G442 I534	L394-L440 HydrophobicContact CD1-CD1 4.37Å; L394-L440 HydrophobicContact CD2-CD1 3.85Å; L394-L440 HydrophobicContact CD2-CD2 4.37Å; L394-L440 HydrophobicContact CD2-CG 3.83Å; L394-L440 HydrophobicContact CG-CD1 3.71Å; L394-L440 HydrophobicContact CG-CG 4.26Å; M396-L440 HydrophobicContact CE-CB 4.37Å; M396-L440 HydrophobicContact CE-CD1 4.3Å; M396-L440 HydrophobicContact CG-CD1 4.21Å; M396-L440 HydrophobicContact SD-CB 4.44Å; F415-L440 HydrophobicContact CD1-CD1 4.05Å; F415-L440 HydrophobicContact CD1-CD2 4.45Å; F415-L440 HydrophobicContact CE1-CD1 4.4Å; F415-L440 HydrophobicContact CE1-CD2 4.06Å; I417-L440 HydrophobicContact CD1-CD1 4.1Å; I417-L440 HydrophobicContact CD1-CD2 3.7Å; I417-L440 HydrophobicContact CD1-CG 4.36Å; F436-L440 WeakPolarHBondContact O-CB 3.4Å; F436-L440 PolarHBondContact O-N 3.43Å; L437-L440 WeakPolarHBondContact O-CB 3.43Å; L437-L440 PolarHBondContact O-N 2.95Å; L440-G442 VanDerWaalsContact C-N 3.29Å; L440-I534 HydrophobicContact CD2-CD1 3.83Å; L440-I534 HydrophobicContact CG-CD1 4.32Å
441	L	87.2	Confident	86.4	Confident	24 Å²	24	44 Å²	44	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-72.3	-22	175	-73.7	168.2	0	0	0	113.1	L437 L439 I459 R461 I534	L437-L441 WeakPolarHBondContact O-CB 3.38Å; L437-L441 VanDerWaalsContact O-CG 3.3Å; L437-L441 WeakPolarHBondContact O-CG 3.11Å; L437-L441 PolarHBondContact O-N 3.18Å; L439-L441 VanDerWaalsContact C-N 3.32Å; L439-L441 PolarHBondContact O-N 2.76Å; L441-I459 HydrophobicContact CD2-CB 4.33Å; L441-I459 HydrophobicContact CD2-CD1 4.17Å; L441-I459 HydrophobicContact CD2-CG2 3.65Å; L441-R461 HydrophobicContact CD1-CG 4.31Å; L441-I534 HydrophobicContact CD2-CD1 3.75Å; L441-I534 HydrophobicContact CG-CD1 4.08Å
442	G	84.4	Confident	86.9	Confident	43 Å²	43	49.1 Å²	49.1	44%	0.443	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	14.4	-174.4	0	0	0	0	0	114.2	K438 L439 L440	K438-G442 PolarHBondContact O-N 2.91Å; K438-G442 VanDerWaalsContact O-N 3.13Å; L439-G442 PolarHBondContact O-N 3.35Å; L439-G442 VanDerWaalsContact O-N 3.09Å; L440-G442 VanDerWaalsContact C-N 3.29Å
443	D	86.2	Confident	87.2	Confident	91 Å²	91	56.7 Å²	56.7	49%	0.487	31%	0.307	S	S	.	.	S	Bend	trans	-68.3	-29.7	172.5	-65.6	-11.8	0	0	0	111.2	K438 R461	K438-D443 HydrophobicContact CB-CB 4.18Å; K438-D443 PolarHBondContact O-N 3.03Å; D443-R461 IonicContact OD2-CZ 2.92Å; D443-R461 IonicContact OD2-NH1 3.99Å; D443-R461 PolarHBondContact OD2-NH1 2.96Å; D443-R461 IonicContact OD2-NH2 2.97Å
444	L	86.5	Confident	87.2	Confident	43 Å²	43	57.3 Å²	57.3	23%	0.225	31%	0.311	C	S	.	.	S	Bend	trans	-113.8	137.1	174.6	-66.9	175.5	0	0	0	110	F401 T435 K438 L439	F401-L444 HydrophobicContact CE1-CD1 4.32Å; F401-L444 HydrophobicContact CE2-CB 4.42Å; F401-L444 HydrophobicContact CZ-CD1 4Å; T435-L444 HydrophobicContact CG2-CD1 3.81Å; K438-L444 HydrophobicContact CB-CD1 3.78Å; K438-L444 HydrophobicContact CB-CG 3.98Å; K438-L444 HydrophobicContact CD-CD1 4.31Å; K438-L444 PolarHBondContact O-N 3.43Å; L439-L444 HydrophobicContact CD2-CB 3.69Å; L439-L444 HydrophobicContact CG-CB 4.15Å
445	T	86.2	Confident	87.1	Confident	118 Å²	118	64 Å²	64	72%	0.724	34%	0.336	S	S	*	.			trans	-83.5	127.2	174	52.8	0	0	0	0	110
446	P	86.4	Confident	87.1	Confident	37 Å²	37	71.1 Å²	71.1	24%	0.24	36%	0.361	C	S	.	.			trans	-65.3	150	175.7	31	-36.7	0	0	0	110.9	V399 V451	V399-P446 HydrophobicContact CG1-CB 3.67Å; V399-P446 HydrophobicContact CG2-CB 4.3Å; P446-V451 HydrophobicContact CG-CG2 4.37Å
447	T	86.3	Confident	86.9	Confident	98 Å²	98	72.2 Å²	72.2	60%	0.601	37%	0.367	S	S	*	.	S	Bend	trans	-75.3	-39.7	175.8	-50.1	0	0	0	0	110.8	S400 G402	S400-T447 WeakPolarHBondContact O-CA 3.28Å; S400-T447 WeakPolarHBondContact O-CB 3.43Å; S400-T447 PolarHBondContact O-N 2.79Å; G402-T447 PolarHBondContact N-OG1 3.08Å
448	E	86.7	Confident	86.9	Confident	114 Å²	114	77.2 Å²	77.2	53%	0.533	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.1	171.7	-56.5	-178.7	158.9	0	0	109.4	V399 S400	V399-E448 CarbonylContact C-O 3.54Å; V399-E448 VanDerWaalsContact CA-O 3.28Å; V399-E448 WeakPolarHBondContact CA-O 3.29Å; S400-E448 PolarHBondContact N-O 2.96Å; S400-E448 PolarHBondContact O-N 3.41Å; S400-E448 PolarHBondContact OG-OE2 3.3Å
449	G	87.4	Confident	86.9	Confident	44 Å²	44	76.6 Å²	76.6	45%	0.454	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84	-175.3	-178.1	0	0	0	0	0	113.2	H397 D398	H397-G449 VanDerWaalsContact O-CA 3.32Å; H397-G449 WeakPolarHBondContact O-CA 3.48Å; D398-G449 WeakPolarHBondContact O-CA 3.4Å
450	E	88.7	Confident	87	Confident	92 Å²	92	76.8 Å²	76.8	43%	0.43	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.1	-177.9	62.8	176.1	-174.7	0	0	112.6	H397 R452	H397-E450 HydrophobicContact CB-CG 4.34Å; H397-E450 PolarHBondContact N-O 3.48Å; H397-E450 PolarHBondContact O-N 2.83Å; H397-E450 VanDerWaalsContact O-N 3.15Å; E450-R452 HydrophobicContact CG-CG 4.49Å; E450-R452 IonicContact OE1-CZ 2.76Å; E450-R452 IonicContact OE1-NE 3.24Å; E450-R452 PolarHBondContact OE1-NE 3.37Å; E450-R452 IonicContact OE1-NH2 3.69Å; E450-R452 PolarHBondContact OE1-NH2 3.14Å
451	V	89.1	Confident	87.1	Confident	41 Å²	41	80.5 Å²	80.5	25%	0.248	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.8	173.1	-172.9	0	0	0	0	108	L394 G395 M396 V399 P446	L394-V451 HydrophobicContact CD1-CG1 4.49Å; G395-V451 CarbonylContact O-C 3.59Å; G395-V451 WeakPolarHBondContact O-CA 3.32Å; M396-V451 HydrophobicContact CG-CG1 4.21Å; M396-V451 HydrophobicContact CG-CG2 4.02Å; M396-V451 HydrophobicContact SD-CG2 4.4Å; V399-V451 HydrophobicContact CG2-CG2 4.32Å; P446-V451 HydrophobicContact CG-CG2 4.37Å
452	R	89.1	Confident	87.1	Confident	127 Å²	127	80 Å²	80	48%	0.479	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.2	177.8	-67.3	-174.8	-175.6	171.6	-2.6	109.7	L394 G395 E450	L394-R452 WeakPolarHBondContact CA-O 3.24Å; G395-R452 PolarHBondContact N-O 3Å; G395-R452 PolarHBondContact O-N 2.86Å; E450-R452 HydrophobicContact CG-CG 4.49Å; E450-R452 IonicContact OE1-CZ 2.76Å; E450-R452 IonicContact OE1-NE 3.24Å; E450-R452 PolarHBondContact OE1-NE 3.37Å; E450-R452 IonicContact OE1-NH2 3.69Å; E450-R452 PolarHBondContact OE1-NH2 3.14Å
453	R	87.9	Confident	86.9	Confident	168 Å²	168	78.3 Å²	78.3	63%	0.634	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.1	176.7	64.9	-178.1	-178	-175.9	0.5	110.9	I393 L394	I393-R453 WeakPolarHBondContact O-CA 3.33Å; L394-R453 HydrophobicContact CD1-CB 3.78Å
454	N	86.5	Confident	86.1	Confident	25 Å²	25	78 Å²	78	13%	0.134	37%	0.374	C	S	.	.			trans	-71.3	130	171.6	-167.8	-42.7	0	0	0	110	N390 I393 R456 L457	N390-N454 PolarHBondContact O-ND2 2.54Å; N390-N454 VanDerWaalsContact O-ND2 3.09Å; I393-N454 PolarHBondContact O-N 3.2Å; N454-R456 PolarHBondContact O-N 3.37Å; N454-R456 VanDerWaalsContact O-N 3.1Å; N454-R456 PolarHBondContact OD1-N 2.95Å; N454-R456 VanDerWaalsContact OD1-N 3.12Å; N454-L457 HydrophobicContact CB-CB 4.1Å; N454-L457 VanDerWaalsContact O-CB 3.23Å; N454-L457 WeakPolarHBondContact O-CB 3.34Å; N454-L457 PolarHBondContact O-N 3.39Å
455	H	81.9	Confident	85	Confident	187 Å²	187	78.9 Å²	78.9	87%	0.866	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.6	-178.1	-36.1	84.6	0	0	0	114.3
456	R	84.8	Confident	83.7	Confident	166 Å²	166	74 Å²	74	63%	0.626	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.7	178.7	-65	-173.7	-66	-174.9	0.5	113.5	L389 N454 R458	L389-R456 HydrophobicContact CD2-CB 4.1Å; N454-R456 PolarHBondContact O-N 3.37Å; N454-R456 VanDerWaalsContact O-N 3.1Å; N454-R456 PolarHBondContact OD1-N 2.95Å; N454-R456 VanDerWaalsContact OD1-N 3.12Å; R456-R458 PolarHBondContact O-N 3.06Å
457	L	86.9	Confident	82.5	Confident	24 Å²	24	73.8 Å²	73.8	13%	0.126	35%	0.347	C	S	.	.			trans	-71.3	127.4	-177.8	175.7	67.5	0	0	0	110.4	L389 I393 L394 N454 I459 D531 V532	L389-L457 HydrophobicContact CD1-CD1 4.23Å; I393-L457 HydrophobicContact CG2-CD1 3.67Å; I393-L457 HydrophobicContact CG2-CD2 3.87Å; I393-L457 HydrophobicContact CG2-CG 4.32Å; L394-L457 HydrophobicContact CB-CD2 3.95Å; L394-L457 HydrophobicContact CD2-CD2 4.43Å; N454-L457 HydrophobicContact CB-CB 4.1Å; N454-L457 VanDerWaalsContact O-CB 3.23Å; N454-L457 WeakPolarHBondContact O-CB 3.34Å; N454-L457 PolarHBondContact O-N 3.39Å; L457-I459 HydrophobicContact CD2-CD1 3.91Å; L457-I459 HydrophobicContact CD2-CG1 3.75Å; L457-I459 HydrophobicContact CG-CD1 4.48Å; L457-I459 HydrophobicContact CG-CG1 3.84Å; L457-D531 HydrophobicContact CD1-CB 3.71Å; L457-V532 HydrophobicContact CD1-CB 4.14Å; L457-V532 HydrophobicContact CD1-CG2 3.58Å
458	R	88.2	Confident	81.5	Confident	111 Å²	111	75.6 Å²	75.6	42%	0.419	35%	0.349	S	S	.	.			trans	-100.9	121.6	168.8	-61	170.2	-66.5	156.9	7.4	108.6	R456 A529 D531 V532	R456-R458 PolarHBondContact O-N 3.06Å; R458-A529 PolarHBondContact NH1-O 3.46Å; R458-A529 PolarHBondContact NH2-O 2.85Å; R458-D531 VanDerWaalsContact CB-OD2 3.31Å; R458-D531 WeakPolarHBondContact CB-OD2 3.36Å; R458-D531 IonicContact CZ-OD1 2.83Å; R458-D531 IonicContact CZ-OD2 3.94Å; R458-D531 PolarHBondContact N-OD2 3.35Å; R458-D531 IonicContact NE-OD1 2.77Å; R458-D531 IonicContact NE-OD2 3.86Å; R458-D531 PolarHBondContact NE-OD2 2.97Å; R458-D531 IonicContact NH2-OD1 3.58Å; R458-D531 PolarHBondContact NH2-OD1 2.95Å; R458-D531 IonicContact NH2-OD2 3.98Å; R458-D531 PolarHBondContact O-N 2.99Å; R458-V532 PolarHBondContact O-N 3.33Å
459	I	89.7	Confident	80.8	Confident	53 Å²	53	76 Å²	76	27%	0.272	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.4	178.5	-54.5	173.5	0	0	0	108	L394 L441 L457 V532 I534	L394-I459 HydrophobicContact CD2-CD1 3.76Å; L441-I459 HydrophobicContact CD2-CB 4.33Å; L441-I459 HydrophobicContact CD2-CD1 4.17Å; L441-I459 HydrophobicContact CD2-CG2 3.65Å; L457-I459 HydrophobicContact CD2-CD1 3.91Å; L457-I459 HydrophobicContact CD2-CG1 3.75Å; L457-I459 HydrophobicContact CG-CD1 4.48Å; L457-I459 HydrophobicContact CG-CG1 3.84Å; I459-V532 CarbonylContact C-O 3.55Å; I459-V532 WeakPolarHBondContact CA-O 3.45Å; I459-I534 HydrophobicContact CG2-CB 4.47Å; I459-I534 HydrophobicContact CG2-CD1 3.79Å; I459-I534 HydrophobicContact CG2-CG1 3.89Å
460	G	89.5	Confident	80.5	Confident	5 Å²	5	74.2 Å²	74.2	5%	0.052	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.8	169.6	0	0	0	0	0	108.8	L525 V532 I534	G460-L525 VanDerWaalsContact CA-CD1 3.42Å; G460-V532 PolarHBondContact N-O 3.13Å; G460-I534 PolarHBondContact O-N 2.86Å
461	R	89.1	Confident	80.1	Confident	79 Å²	79	72.9 Å²	72.9	30%	0.298	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.4	178.9	177.7	-176.5	177.1	162	-2.2	109.4	L441 D443 D463 I534	L441-R461 HydrophobicContact CD1-CG 4.31Å; D443-R461 IonicContact OD2-CZ 2.92Å; D443-R461 IonicContact OD2-NH1 3.99Å; D443-R461 PolarHBondContact OD2-NH1 2.96Å; D443-R461 IonicContact OD2-NH2 2.97Å; R461-D463 IonicContact CZ-OD2 3.39Å; R461-D463 IonicContact NE-OD2 2.55Å; R461-D463 PolarHBondContact NE-OD2 3.24Å; R461-D463 IonicContact NH2-OD2 3.56Å; R461-D463 PolarHBondContact NH2-OD2 2.95Å; R461-I534 CarbonylContact C-O 3.59Å; R461-I534 WeakPolarHBondContact CA-O 3.29Å
462	F	88.7	Confident	79.8	Confident	13 Å²	13	73 Å²	73	6%	0.057	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.2	163.9	-170.7	-89.1	0	0	0	107.4	A521 M522 L525 I534 L535 D536 P538	F462-A521 HydrophobicContact CD2-CB 4.21Å; F462-A521 HydrophobicContact CE2-CB 3.76Å; F462-M522 HydrophobicContact CD2-CG 4.21Å; F462-M522 HydrophobicContact CE2-CG 3.69Å; F462-M522 HydrophobicContact CZ-CG 4.3Å; F462-L525 HydrophobicContact CB-CD2 4.15Å; F462-I534 PolarHBondContact N-O 2.77Å; F462-L535 HydrophobicContact CB-CD2 3.5Å; F462-L535 VanDerWaalsContact CB-CD2 3.5Å; F462-L535 HydrophobicContact CG-CD2 4.39Å; F462-L535 CarbonylContact O-C 3.52Å; F462-L535 WeakPolarHBondContact O-CA 3.27Å; F462-D536 PolarHBondContact O-N 3.29Å; F462-P538 HydrophobicContact CD1-CB 3.94Å; F462-P538 HydrophobicContact CE1-CB 4.09Å
463	D	79.7	Confident	79.6	Confident	9 Å²	9	71.7 Å²	71.7	5%	0.048	33%	0.334	C	S	.	.			trans	-145.3	175.9	178.1	67.6	-0.1	0	0	0	110.7	R461 H465 S466 D536	R461-D463 IonicContact CZ-OD2 3.39Å; R461-D463 IonicContact NE-OD2 2.55Å; R461-D463 PolarHBondContact NE-OD2 3.24Å; R461-D463 IonicContact NH2-OD2 3.56Å; R461-D463 PolarHBondContact NH2-OD2 2.95Å; D463-H465 PolarHBondContact O-N 2.8Å; D463-H465 VanDerWaalsContact OD1-C 3.31Å; D463-H465 PolarHBondContact OD1-N 3.17Å; D463-S466 PolarHBondContact N-OG 3.03Å; D463-S466 WeakPolarHBondContact O-CB 3.3Å; D463-S466 PolarHBondContact O-N 2.96Å; D463-S466 PolarHBondContact O-OG 2.92Å; D463-S466 WeakPolarHBondContact OD1-CA 3.25Å; D463-S466 WeakPolarHBondContact OD1-CB 3.15Å; D463-S466 PolarHBondContact OD1-N 3.31Å; D463-S466 PolarHBondContact OD1-OG 3.16Å; D463-D536 HydrophobicContact CB-CB 3.95Å
464	Q	69.9	Low	79.7	Confident	85 Å²	85	65.6 Å²	65.6	40%	0.397	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-59.7	-36.9	-179.2	-63	178.4	20	0	0	111.8	S466 S467	Q464-S466 VanDerWaalsContact C-N 3.28Å; Q464-S466 PolarHBondContact O-N 3.08Å; Q464-S467 PolarHBondContact O-OG 3.41Å
465	H	63	Low	79.9	Confident	61 Å²	61	65.2 Å²	65.2	28%	0.282	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-79.6	-2.6	176.3	-56.5	-67.4	0	0	0	113.7	D463 S467 E468 H469	D463-H465 PolarHBondContact O-N 2.8Å; D463-H465 VanDerWaalsContact OD1-C 3.31Å; D463-H465 PolarHBondContact OD1-N 3.17Å; H465-S467 PolarHBondContact O-N 3.46Å; H465-E468 IonicContact CE1-OE1 3.94Å; H465-E468 IonicContact CG-OE1 3.31Å; H465-E468 IonicContact ND1-OE1 2.62Å; H465-E468 PolarHBondContact ND1-OE1 3.46Å; H465-E468 IonicContact ND1-OE2 2.75Å; H465-E468 PolarHBondContact ND1-OE2 2.69Å; H465-E468 WeakPolarHBondContact O-CA 3.33Å; H465-E468 VanDerWaalsContact O-CB 3.3Å; H465-E468 WeakPolarHBondContact O-CB 3.37Å; H465-E468 PolarHBondContact O-N 2.97Å; H465-H469 PolarHBondContact O-N 2.93Å; H465-H469 PolarHBondContact O-ND1 3.39Å
466	S	57.4	Low	80.3	Confident	14 Å²	14	56.3 Å²	56.3	10%	0.098	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.3	-28.7	-179.6	-69.8	0	0	0	0	110.6	D463 Q464 E468 H469	D463-S466 PolarHBondContact N-OG 3.03Å; D463-S466 WeakPolarHBondContact O-CB 3.3Å; D463-S466 PolarHBondContact O-N 2.96Å; D463-S466 PolarHBondContact O-OG 2.92Å; D463-S466 WeakPolarHBondContact OD1-CA 3.25Å; D463-S466 WeakPolarHBondContact OD1-CB 3.15Å; D463-S466 PolarHBondContact OD1-N 3.31Å; D463-S466 PolarHBondContact OD1-OG 3.16Å; Q464-S466 VanDerWaalsContact C-N 3.28Å; Q464-S466 PolarHBondContact O-N 3.08Å; S466-E468 VanDerWaalsContact C-N 3.27Å; S466-E468 PolarHBondContact O-N 3.45Å; S466-H469 PolarHBondContact O-N 2.91Å
467	S	61.7	Low	80.7	Confident	33 Å²	33	48.4 Å²	48.4	23%	0.231	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.2	-24.7	171.6	69.7	0	0	0	0	114	Q464 H465	Q464-S467 PolarHBondContact O-OG 3.41Å; H465-S467 PolarHBondContact O-N 3.46Å
468	E	65.3	Low	80.9	Confident	136 Å²	136	52.1 Å²	52.1	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-27.8	177.5	-60.1	172	-151.5	0	0	112.4	H465 S466 L470	H465-E468 IonicContact CE1-OE1 3.94Å; H465-E468 IonicContact CG-OE1 3.31Å; H465-E468 IonicContact ND1-OE1 2.62Å; H465-E468 PolarHBondContact ND1-OE1 3.46Å; H465-E468 IonicContact ND1-OE2 2.75Å; H465-E468 PolarHBondContact ND1-OE2 2.69Å; H465-E468 WeakPolarHBondContact O-CA 3.33Å; H465-E468 VanDerWaalsContact O-CB 3.3Å; H465-E468 WeakPolarHBondContact O-CB 3.37Å; H465-E468 PolarHBondContact O-N 2.97Å; S466-E468 VanDerWaalsContact C-N 3.27Å; S466-E468 PolarHBondContact O-N 3.45Å; E468-L470 PolarHBondContact O-N 2.91Å
469	H	72.3	Confident	81	Confident	124 Å²	124	47.4 Å²	47.4	57%	0.574	24%	0.239	S	C	*	.	S	Bend	trans	-67.8	-17.7	173.2	-66.5	81.7	0	0	0	112.5	H465 S466 N471	H465-H469 PolarHBondContact O-N 2.93Å; H465-H469 PolarHBondContact O-ND1 3.39Å; S466-H469 PolarHBondContact O-N 2.91Å; H469-N471 PolarHBondContact O-N 2.75Å
470	L	80.4	Confident	81	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	-69.7	129.9	175.1	-57.4	177.2	0	0	0	109.8	E468 A472 Y479 I509 K517 V520	E468-L470 PolarHBondContact O-N 2.91Å; L470-A472 PolarHBondContact O-N 3.28Å; L470-Y479 HydrophobicContact CD2-CD1 4.26Å; L470-Y479 HydrophobicContact CD2-CE1 3.54Å; L470-Y479 HydrophobicContact CD2-CE2 4.44Å; L470-I509 HydrophobicContact CB-CD1 4.21Å; L470-I509 HydrophobicContact CB-CG2 3.77Å; L470-I509 HydrophobicContact CD1-CG2 4.01Å; L470-K517 HydrophobicContact CD1-CB 4.03Å; L470-K517 HydrophobicContact CD1-CG 4.5Å; L470-V520 HydrophobicContact CD1-CB 4.09Å; L470-V520 HydrophobicContact CD1-CG1 4.15Å; L470-V520 HydrophobicContact CD2-CG1 4.03Å
471	N	80.9	Confident	81.1	Confident	64 Å²	64	49.8 Å²	49.8	34%	0.342	24%	0.243	S	C	.	.			trans	-66.3	110.7	178.9	-171.4	-6.1	0	0	0	110.4	H469 D473 E474 Y479	H469-N471 PolarHBondContact O-N 2.75Å; N471-D473 VanDerWaalsContact C-N 3.26Å; N471-D473 PolarHBondContact O-N 2.89Å; N471-E474 HydrophobicContact CB-CB 4.4Å; N471-E474 HydrophobicContact CB-CG 4.24Å; N471-E474 WeakPolarHBondContact CB-OE2 3.46Å; N471-E474 PolarHBondContact ND2-OE1 3.02Å; N471-E474 PolarHBondContact ND2-OE2 3.22Å; N471-E474 PolarHBondContact O-N 3.35Å; N471-Y479 HydrophobicContact CB-CD2 4.13Å; N471-Y479 HydrophobicContact CB-CE2 4.31Å
472	A	82.5	Confident	81.1	Confident	43 Å²	43	52.2 Å²	52.2	36%	0.355	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.7	-169.1	0	0	0	0	0	113.9	L470 R510	L470-A472 PolarHBondContact O-N 3.28Å; A472-R510 HydrophobicContact CB-CB 4.06Å; A472-R510 WeakPolarHBondContact O-CB 3.17Å; A472-R510 WeakPolarHBondContact O-CG 3.45Å; A472-R510 PolarHBondContact O-N 2.86Å
473	D	86.4	Confident	81	Confident	100 Å²	100	55 Å²	55	54%	0.535	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-16.1	-175.2	-68.1	-37.7	0	0	0	113.8	N471 Q508 R510	N471-D473 VanDerWaalsContact C-N 3.26Å; N471-D473 PolarHBondContact O-N 2.89Å; D473-Q508 PolarHBondContact O-NE2 3.32Å; D473-Q508 VanDerWaalsContact O-NE2 3.13Å; D473-R510 IonicContact OD1-NH1 3.2Å
474	E	89.2	Confident	81.4	Confident	40 Å²	40	57.4 Å²	57.4	19%	0.187	28%	0.277	C	S	.	.	S	Bend	trans	-88.8	157.7	179.2	-67.5	177.6	161.9	0	0	111.3	N471 E478 R482 I509	N471-E474 HydrophobicContact CB-CB 4.4Å; N471-E474 HydrophobicContact CB-CG 4.24Å; N471-E474 WeakPolarHBondContact CB-OE2 3.46Å; N471-E474 PolarHBondContact ND2-OE1 3.02Å; N471-E474 PolarHBondContact ND2-OE2 3.22Å; N471-E474 PolarHBondContact O-N 3.35Å; E474-E478 HydrophobicContact CB-CB 4.44Å; E474-R482 IonicContact OE1-CZ 3.41Å; E474-R482 IonicContact OE1-NE 3.81Å; E474-R482 PolarHBondContact OE1-NE 3.15Å; E474-R482 IonicContact OE1-NH2 3.92Å; E474-R482 IonicContact OE2-CZ 2.95Å; E474-R482 IonicContact OE2-NE 2.75Å; E474-R482 PolarHBondContact OE2-NE 2.81Å; E474-R482 VanDerWaalsContact OE2-NE 3.15Å; E474-R482 IonicContact OE2-NH2 3.15Å; E474-R482 PolarHBondContact OE2-NH2 2.88Å; E474-I509 WeakPolarHBondContact O-CG1 3.38Å; E474-I509 PolarHBondContact O-N 3.1Å
475	T	91.5	Very high	82.3	Confident	17 Å²	17	60.7 Å²	60.7	10%	0.104	30%	0.298	C	S	.	.			trans	-81.5	153.6	165.3	64.4	0	0	0	0	110.7	V477 E478 Y479 T506	T475-V477 PolarHBondContact O-N 2.96Å; T475-V477 VanDerWaalsContact O-N 3.1Å; T475-E478 WeakPolarHBondContact CB-OE2 3.25Å; T475-E478 WeakPolarHBondContact CG2-OE2 3.38Å; T475-E478 PolarHBondContact N-OE2 3.28Å; T475-E478 PolarHBondContact O-N 3.02Å; T475-E478 WeakPolarHBondContact OG1-CB 3.5Å; T475-E478 VanDerWaalsContact OG1-CG 3.26Å; T475-E478 WeakPolarHBondContact OG1-CG 3.39Å; T475-E478 PolarHBondContact OG1-N 3.46Å; T475-E478 PolarHBondContact OG1-OE2 3.49Å; T475-Y479 WeakPolarHBondContact O-CB 3.41Å; T475-Y479 PolarHBondContact O-N 2.81Å; T475-T506 VanDerWaalsContact CG2-O 3.24Å; T475-T506 WeakPolarHBondContact CG2-O 3.24Å
476	P	89.9	Confident	83.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-53.4	-34.3	176.5	-29.7	35.5	0	0	0	114	L480 L495 L500 I507 I509 L512 V520	P476-L480 WeakPolarHBondContact O-CG 3.11Å; P476-L480 PolarHBondContact O-N 3.02Å; P476-L480 VanDerWaalsContact O-N 3.08Å; P476-L495 HydrophobicContact CB-CD1 3.73Å; P476-L495 HydrophobicContact CB-CD2 3.99Å; P476-L500 HydrophobicContact CB-CD2 4.25Å; P476-L500 HydrophobicContact CG-CD2 4.23Å; P476-I507 WeakPolarHBondContact CD-O 3.29Å; P476-I509 HydrophobicContact CG-CD1 4.5Å; P476-I509 HydrophobicContact CG-CG1 3.88Å; P476-L512 HydrophobicContact CG-CD1 3.7Å; P476-V520 HydrophobicContact CB-CG1 4.2Å; P476-V520 HydrophobicContact CB-CG2 3.85Å; P476-V520 HydrophobicContact CG-CG2 3.84Å
477	V	92	Very high	85	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-47.9	176.8	173.3	0	0	0	0	111	T475 Y479 L480 R481 Y488 A491 R492 L495 H505	T475-V477 PolarHBondContact O-N 2.96Å; T475-V477 VanDerWaalsContact O-N 3.1Å; V477-Y479 VanDerWaalsContact C-N 3.28Å; V477-Y479 PolarHBondContact O-N 2.92Å; V477-L480 PolarHBondContact O-N 2.73Å; V477-R481 HydrophobicContact CG1-CG 4.25Å; V477-R481 WeakPolarHBondContact O-CB 3.45Å; V477-R481 WeakPolarHBondContact O-CG 3.22Å; V477-R481 PolarHBondContact O-N 3.01Å; V477-Y488 HydrophobicContact CB-CE2 4.36Å; V477-Y488 HydrophobicContact CG1-CD2 3.4Å; V477-Y488 HydrophobicContact CG1-CE2 3.53Å; V477-Y488 HydrophobicContact CG1-CG 4.35Å; V477-A491 HydrophobicContact CG1-CB 4.05Å; V477-R492 HydrophobicContact CG2-CG 3.67Å; V477-L495 HydrophobicContact CB-CD1 4.48Å; V477-L495 HydrophobicContact CG2-CD1 3.58Å; V477-H505 HydrophobicContact CG2-CB 3.77Å; V477-H505 VanDerWaalsContact CG2-O 3.3Å; V477-H505 WeakPolarHBondContact CG2-O 3.48Å; V477-H505 PolarHBondContact N-O 3.27Å
478	E	91.8	Very high	86.3	Confident	102 Å²	102	65.8 Å²	65.8	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-42.2	176.9	-72.3	158.6	165.2	0	0	111.2	E474 T475 R481 R482	E474-E478 HydrophobicContact CB-CB 4.44Å; T475-E478 WeakPolarHBondContact CB-OE2 3.25Å; T475-E478 WeakPolarHBondContact CG2-OE2 3.38Å; T475-E478 PolarHBondContact N-OE2 3.28Å; T475-E478 PolarHBondContact O-N 3.02Å; T475-E478 WeakPolarHBondContact OG1-CB 3.5Å; T475-E478 VanDerWaalsContact OG1-CG 3.26Å; T475-E478 WeakPolarHBondContact OG1-CG 3.39Å; T475-E478 PolarHBondContact OG1-N 3.46Å; T475-E478 PolarHBondContact OG1-OE2 3.49Å; E478-R481 PolarHBondContact O-N 3.37Å; E478-R482 WeakPolarHBondContact O-CB 3.2Å; E478-R482 PolarHBondContact O-N 3.41Å
479	Y	90.8	Very high	87.5	Confident	11 Å²	11	66.7 Å²	66.7	4%	0.043	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-55.1	177.5	-177.7	-101.4	0	0	0	112.3	L470 N471 T475 V477 R481 R482 L483 I509 V520 E524	L470-Y479 HydrophobicContact CD2-CD1 4.26Å; L470-Y479 HydrophobicContact CD2-CE1 3.54Å; L470-Y479 HydrophobicContact CD2-CE2 4.44Å; N471-Y479 HydrophobicContact CB-CD2 4.13Å; N471-Y479 HydrophobicContact CB-CE2 4.31Å; T475-Y479 WeakPolarHBondContact O-CB 3.41Å; T475-Y479 PolarHBondContact O-N 2.81Å; V477-Y479 VanDerWaalsContact C-N 3.28Å; V477-Y479 PolarHBondContact O-N 2.92Å; Y479-R481 VanDerWaalsContact C-N 3.32Å; Y479-R481 PolarHBondContact O-N 2.92Å; Y479-R482 VanDerWaalsContact CD2-NH2 3.26Å; Y479-R482 PolarHBondContact O-N 2.62Å; Y479-L483 HydrophobicContact CD1-CD1 4.05Å; Y479-L483 HydrophobicContact CE1-CD1 3.43Å; Y479-L483 VanDerWaalsContact CE1-CD1 3.43Å; Y479-L483 HydrophobicContact CE2-CD1 4.06Å; Y479-L483 VanDerWaalsContact CZ-CD1 3.43Å; Y479-L483 PolarHBondContact O-N 3.42Å; Y479-L483 VanDerWaalsContact O-N 3.1Å; Y479-I509 HydrophobicContact CD2-CD1 4.45Å; Y479-I509 HydrophobicContact CG-CD1 4.14Å; Y479-V520 HydrophobicContact CD1-CG1 4.35Å; Y479-E524 HydrophobicContact CE1-CG 4.42Å; Y479-E524 WeakPolarHBondContact CE1-OE2 3.48Å; Y479-E524 PolarHBondContact OH-OE1 3.1Å; Y479-E524 PolarHBondContact OH-OE2 3.2Å
480	L	89.3	Confident	88.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.7	-34.6	179.2	-69.3	-175.5	0	0	0	112.7	P476 V477 F484 L495 A523 E524 L527	P476-L480 WeakPolarHBondContact O-CG 3.11Å; P476-L480 PolarHBondContact O-N 3.02Å; P476-L480 VanDerWaalsContact O-N 3.08Å; V477-L480 PolarHBondContact O-N 2.73Å; L480-F484 HydrophobicContact CD2-CD2 4.2Å; L480-F484 HydrophobicContact CD2-CE2 4Å; L480-F484 PolarHBondContact O-N 2.93Å; L480-L495 HydrophobicContact CD1-CD1 4.23Å; L480-L495 HydrophobicContact CD1-CD2 3.59Å; L480-L495 HydrophobicContact CD1-CG 3.67Å; L480-A523 HydrophobicContact CD1-CB 4.27Å; L480-E524 HydrophobicContact CD2-CB 4.16Å; L480-L527 HydrophobicContact CD1-CD1 4.01Å; L480-L527 HydrophobicContact CD2-CD1 3.98Å; L480-L527 HydrophobicContact CG-CD1 4.44Å
481	R	91.7	Very high	88.7	Confident	109 Å²	109	63 Å²	63	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-66.3	-39.7	175.9	-72.3	-177.4	72.4	-157.5	-3.2	111.6	V477 E478 Y479 N485 L486 A491	V477-R481 HydrophobicContact CG1-CG 4.25Å; V477-R481 WeakPolarHBondContact O-CB 3.45Å; V477-R481 WeakPolarHBondContact O-CG 3.22Å; V477-R481 PolarHBondContact O-N 3.01Å; E478-R481 PolarHBondContact O-N 3.37Å; Y479-R481 VanDerWaalsContact C-N 3.32Å; Y479-R481 PolarHBondContact O-N 2.92Å; R481-N485 WeakPolarHBondContact O-CA 3.37Å; R481-N485 PolarHBondContact O-N 3.3Å; R481-L486 VanDerWaalsContact CG-O 3.32Å; R481-L486 WeakPolarHBondContact CG-O 2.92Å; R481-L486 PolarHBondContact NE-O 3Å; R481-A491 HydrophobicContact CG-CB 3.91Å
482	R	89.2	Confident	89.1	Confident	130 Å²	130	63 Å²	63	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-43.4	177.6	-177.3	176	54.7	62.9	5.7	111.6	E474 E478 Y479	E474-R482 IonicContact OE1-CZ 3.41Å; E474-R482 IonicContact OE1-NE 3.81Å; E474-R482 PolarHBondContact OE1-NE 3.15Å; E474-R482 IonicContact OE1-NH2 3.92Å; E474-R482 IonicContact OE2-CZ 2.95Å; E474-R482 IonicContact OE2-NE 2.75Å; E474-R482 PolarHBondContact OE2-NE 2.81Å; E474-R482 VanDerWaalsContact OE2-NE 3.15Å; E474-R482 IonicContact OE2-NH2 3.15Å; E474-R482 PolarHBondContact OE2-NH2 2.88Å; E478-R482 WeakPolarHBondContact O-CB 3.2Å; E478-R482 PolarHBondContact O-N 3.41Å; Y479-R482 VanDerWaalsContact CD2-NH2 3.26Å; Y479-R482 PolarHBondContact O-N 2.62Å
483	L	87.1	Confident	89.4	Confident	70 Å²	70	68.5 Å²	68.5	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-73.3	-45.1	-177.2	-70.1	178.3	0	0	0	113.3	Y479 E524	Y479-L483 HydrophobicContact CD1-CD1 4.05Å; Y479-L483 HydrophobicContact CE1-CD1 3.43Å; Y479-L483 VanDerWaalsContact CE1-CD1 3.43Å; Y479-L483 HydrophobicContact CE2-CD1 4.06Å; Y479-L483 VanDerWaalsContact CZ-CD1 3.43Å; Y479-L483 PolarHBondContact O-N 3.42Å; Y479-L483 VanDerWaalsContact O-N 3.1Å; L483-E524 HydrophobicContact CD1-CG 4.11Å
484	F	88.1	Confident	89.5	Confident	60 Å²	60	65.6 Å²	65.6	26%	0.263	30%	0.303	S	S	.	.	H	α-helix	trans	-110.8	6.4	-170.5	-58.5	-72.2	0	0	0	113.9	L480 L486 E524 L527 S528	L480-F484 HydrophobicContact CD2-CD2 4.2Å; L480-F484 HydrophobicContact CD2-CE2 4Å; L480-F484 PolarHBondContact O-N 2.93Å; F484-L486 HydrophobicContact CB-CD1 3.85Å; F484-L486 HydrophobicContact CB-CD2 4.36Å; F484-L486 HydrophobicContact CB-CG 3.69Å; F484-L486 PolarHBondContact O-N 3.2Å; F484-E524 HydrophobicContact CE2-CB 4.5Å; F484-E524 HydrophobicContact CE2-CG 4.02Å; F484-E524 HydrophobicContact CZ-CG 4.05Å; F484-L527 HydrophobicContact CD1-CB 4.11Å; F484-L527 HydrophobicContact CD2-CB 3.82Å; F484-L527 HydrophobicContact CD2-CD1 3.83Å; F484-L527 HydrophobicContact CD2-CG 4.45Å; F484-L527 HydrophobicContact CE1-CB 3.93Å; F484-L527 HydrophobicContact CE2-CB 3.62Å; F484-L527 HydrophobicContact CE2-CD1 4.09Å; F484-L527 HydrophobicContact CG-CB 4.07Å; F484-L527 HydrophobicContact CG-CD1 4.49Å; F484-L527 HydrophobicContact CZ-CB 3.68Å; F484-S528 WeakPolarHBondContact CZ-OG 3.44Å
485	N	87.6	Confident	89.5	Confident	155 Å²	155	63.7 Å²	63.7	83%	0.829	29%	0.294	S	S	*	.			trans	50.4	39.8	-177.4	-158	23.1	0	0	0	113.5	R481	R481-N485 WeakPolarHBondContact O-CA 3.37Å; R481-N485 PolarHBondContact O-N 3.3Å
486	L	87.7	Confident	89.2	Confident	38 Å²	38	64.5 Å²	64.5	20%	0.199	31%	0.305	C	S	.	.			trans	-82	157.3	-176.7	-63.5	172.7	0	0	0	112.2	R481 F484 T490 L527	R481-L486 VanDerWaalsContact CG-O 3.32Å; R481-L486 WeakPolarHBondContact CG-O 2.92Å; R481-L486 PolarHBondContact NE-O 3Å; F484-L486 HydrophobicContact CB-CD1 3.85Å; F484-L486 HydrophobicContact CB-CD2 4.36Å; F484-L486 HydrophobicContact CB-CG 3.69Å; F484-L486 PolarHBondContact O-N 3.2Å; L486-T490 HydrophobicContact CD2-CG2 4.28Å; L486-L527 HydrophobicContact CD1-CD1 3.76Å; L486-L527 HydrophobicContact CD1-CD2 4.1Å
487	D	90.2	Very high	89	Confident	75 Å²	75	68.2 Å²	68.2	40%	0.401	32%	0.324	S	S	.	.			trans	-73.8	160.2	165.9	75.4	-74.4	0	0	0	111.1	Q489 T490 A491	D487-Q489 VanDerWaalsContact C-N 3.29Å; D487-Q489 PolarHBondContact O-N 2.85Å; D487-Q489 WeakPolarHBondContact OD2-CA 3.4Å; D487-Q489 VanDerWaalsContact OD2-CB 3.29Å; D487-Q489 WeakPolarHBondContact OD2-CB 3.48Å; D487-Q489 PolarHBondContact OD2-N 3.1Å; D487-T490 PolarHBondContact O-N 2.9Å; D487-T490 WeakPolarHBondContact OD1-CB 3.29Å; D487-T490 PolarHBondContact OD1-N 2.78Å; D487-T490 PolarHBondContact OD1-OG1 2.85Å; D487-T490 PolarHBondContact OD2-N 3.19Å; D487-A491 WeakPolarHBondContact O-CB 3.48Å; D487-A491 PolarHBondContact O-N 3.46Å
488	Y	88.8	Confident	88.7	Confident	101 Å²	101	68.6 Å²	68.6	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-36.9	-178.3	-176.1	-98.2	0	0	0	113	V477 R492	V477-Y488 HydrophobicContact CB-CE2 4.36Å; V477-Y488 HydrophobicContact CG1-CD2 3.4Å; V477-Y488 HydrophobicContact CG1-CE2 3.53Å; V477-Y488 HydrophobicContact CG1-CG 4.35Å; Y488-R492 HydrophobicContact CE1-CG 4.24Å; Y488-R492 VanDerWaalsContact O-CG 3.31Å; Y488-R492 WeakPolarHBondContact O-CG 3.48Å; Y488-R492 PolarHBondContact O-N 3.15Å; Y488-R492 VanDerWaalsContact O-N 3.14Å; Y488-R492 PolarHBondContact OH-NH1 3.19Å
489	Q	89.6	Confident	88.3	Confident	156 Å²	156	64.1 Å²	64.1	73%	0.729	31%	0.307	S	S	*	.	H	α-helix	trans	-75.5	-41.9	-177.6	-61.2	-175.3	-17.7	0	0	111.3	D487 R492 K493	D487-Q489 VanDerWaalsContact C-N 3.29Å; D487-Q489 PolarHBondContact O-N 2.85Å; D487-Q489 WeakPolarHBondContact OD2-CA 3.4Å; D487-Q489 VanDerWaalsContact OD2-CB 3.29Å; D487-Q489 WeakPolarHBondContact OD2-CB 3.48Å; D487-Q489 PolarHBondContact OD2-N 3.1Å; Q489-R492 PolarHBondContact O-N 2.82Å; Q489-K493 WeakPolarHBondContact O-CB 3.3Å; Q489-K493 PolarHBondContact O-N 3.25Å
490	T	89.6	Confident	88	Confident	52 Å²	52	63.8 Å²	63.8	32%	0.319	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-41.7	175.4	-60.2	0	0	0	0	111.7	L486 D487 R492 K493 N494	L486-T490 HydrophobicContact CD2-CG2 4.28Å; D487-T490 PolarHBondContact O-N 2.9Å; D487-T490 WeakPolarHBondContact OD1-CB 3.29Å; D487-T490 PolarHBondContact OD1-N 2.78Å; D487-T490 PolarHBondContact OD1-OG1 2.85Å; D487-T490 PolarHBondContact OD2-N 3.19Å; T490-R492 PolarHBondContact O-N 3.01Å; T490-K493 WeakPolarHBondContact O-CB 3.43Å; T490-K493 PolarHBondContact O-N 3.16Å; T490-K493 VanDerWaalsContact O-N 3.15Å; T490-N494 WeakPolarHBondContact CG2-ND2 3.31Å; T490-N494 PolarHBondContact O-N 2.86Å; T490-N494 PolarHBondContact O-ND2 2.95Å; T490-N494 VanDerWaalsContact O-ND2 3.11Å
491	A	87.9	Confident	87.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.2	-47.8	174.1	0	0	0	0	0	111.5	V477 R481 D487 K493 N494 L495	V477-A491 HydrophobicContact CG1-CB 4.05Å; R481-A491 HydrophobicContact CG-CB 3.91Å; D487-A491 WeakPolarHBondContact O-CB 3.48Å; D487-A491 PolarHBondContact O-N 3.46Å; A491-K493 VanDerWaalsContact C-N 3.34Å; A491-K493 PolarHBondContact O-N 3.09Å; A491-N494 PolarHBondContact O-N 3.03Å; A491-L495 WeakPolarHBondContact O-CG 3.12Å; A491-L495 PolarHBondContact O-N 3.16Å
492	R	89.7	Confident	87.2	Confident	64 Å²	64	64.3 Å²	64.3	24%	0.242	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-36	175.6	-73.3	-176.4	70.2	101.4	18.6	113.3	V477 Y488 Q489 T490 G496 S502 H505	V477-R492 HydrophobicContact CG2-CG 3.67Å; Y488-R492 HydrophobicContact CE1-CG 4.24Å; Y488-R492 VanDerWaalsContact O-CG 3.31Å; Y488-R492 WeakPolarHBondContact O-CG 3.48Å; Y488-R492 PolarHBondContact O-N 3.15Å; Y488-R492 VanDerWaalsContact O-N 3.14Å; Y488-R492 PolarHBondContact OH-NH1 3.19Å; Q489-R492 PolarHBondContact O-N 2.82Å; T490-R492 PolarHBondContact O-N 3.01Å; R492-G496 PolarHBondContact O-N 2.84Å; R492-S502 PolarHBondContact NH2-O 3.32Å; R492-H505 PolarHBondContact O-CE1 2.84Å
493	K	88.6	Confident	86.9	Confident	159 Å²	159	62.6 Å²	62.6	69%	0.691	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-45.6	176.8	-176.2	-176.3	173.6	-171.3	0	110.8	Q489 T490 A491 G496 M497	Q489-K493 WeakPolarHBondContact O-CB 3.3Å; Q489-K493 PolarHBondContact O-N 3.25Å; T490-K493 WeakPolarHBondContact O-CB 3.43Å; T490-K493 PolarHBondContact O-N 3.16Å; T490-K493 VanDerWaalsContact O-N 3.15Å; A491-K493 VanDerWaalsContact C-N 3.34Å; A491-K493 PolarHBondContact O-N 3.09Å; K493-G496 PolarHBondContact O-N 2.82Å; K493-M497 WeakPolarHBondContact O-CB 3.5Å; K493-M497 PolarHBondContact O-N 2.76Å
494	N	88.2	Confident	86.8	Confident	39 Å²	39	59.3 Å²	59.3	21%	0.209	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-44.6	177.1	-71.7	-43.4	0	0	0	111.7	T490 A491 G496 M497 V498 L527	T490-N494 WeakPolarHBondContact CG2-ND2 3.31Å; T490-N494 PolarHBondContact O-N 2.86Å; T490-N494 PolarHBondContact O-ND2 2.95Å; T490-N494 VanDerWaalsContact O-ND2 3.11Å; A491-N494 PolarHBondContact O-N 3.03Å; N494-G496 VanDerWaalsContact C-N 3.29Å; N494-G496 PolarHBondContact O-N 2.9Å; N494-M497 WeakPolarHBondContact O-CB 3.38Å; N494-M497 PolarHBondContact O-N 3Å; N494-V498 PolarHBondContact O-N 3.43Å; N494-L527 HydrophobicContact CB-CD1 4.4Å
495	L	89.4	Confident	86.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-36.9	173.8	-68.6	169.7	0	0	0	112.3	P476 V477 L480 A491 V498 L500 H505 V520 A523	P476-L495 HydrophobicContact CB-CD1 3.73Å; P476-L495 HydrophobicContact CB-CD2 3.99Å; V477-L495 HydrophobicContact CB-CD1 4.48Å; V477-L495 HydrophobicContact CG2-CD1 3.58Å; L480-L495 HydrophobicContact CD1-CD1 4.23Å; L480-L495 HydrophobicContact CD1-CD2 3.59Å; L480-L495 HydrophobicContact CD1-CG 3.67Å; A491-L495 WeakPolarHBondContact O-CG 3.12Å; A491-L495 PolarHBondContact O-N 3.16Å; L495-V498 WeakPolarHBondContact O-CG2 3.39Å; L495-L500 HydrophobicContact CB-CB 4.43Å; L495-L500 HydrophobicContact CB-CD2 4.32Å; L495-L500 HydrophobicContact CD2-CD2 3.91Å; L495-L500 HydrophobicContact CG-CD2 4.5Å; L495-L500 WeakPolarHBondContact O-CA 3.25Å; L495-L500 WeakPolarHBondContact O-CB 3.05Å; L495-L500 PolarHBondContact O-N 2.86Å; L495-H505 WeakPolarHBondContact CB-NE2 2.86Å; L495-H505 HydrophobicContact CD1-CB 4.35Å; L495-V520 HydrophobicContact CD2-CG2 4.36Å; L495-A523 HydrophobicContact CD2-CB 4.19Å
496	G	86.5	Confident	86.7	Confident	33 Å²	33	52.6 Å²	52.6	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-67.5	-34.9	175	0	0	0	0	0	113.1	R492 K493 N494 G499	R492-G496 PolarHBondContact O-N 2.84Å; K493-G496 PolarHBondContact O-N 2.82Å; N494-G496 VanDerWaalsContact C-N 3.29Å; N494-G496 PolarHBondContact O-N 2.9Å; G496-G499 PolarHBondContact O-N 2.81Å; G496-G499 VanDerWaalsContact O-N 3.14Å
497	M	85.5	Confident	86.7	Confident	79 Å²	79	53.9 Å²	53.9	39%	0.389	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-40.5	-180	178.4	168.2	164.4	0	0	112.4	K380 A382 K493 N494 G499	K380-M497 HydrophobicContact CB-CE 4.26Å; K380-M497 HydrophobicContact CB-CG 4.35Å; K380-M497 PolarHBondContact N-O 3.35Å; K380-M497 CarbonylContact O-C 3.58Å; K380-M497 VanDerWaalsContact O-CG 3.29Å; K380-M497 WeakPolarHBondContact O-CG 3.48Å; K380-M497 VanDerWaalsContact O-O 3.06Å; A382-M497 HydrophobicContact CB-CE 3.37Å; K493-M497 WeakPolarHBondContact O-CB 3.5Å; K493-M497 PolarHBondContact O-N 2.76Å; N494-M497 WeakPolarHBondContact O-CB 3.38Å; N494-M497 PolarHBondContact O-N 3Å; M497-G499 PolarHBondContact O-N 2.71Å; M497-G499 VanDerWaalsContact O-N 3.09Å
498	V	86.3	Confident	86.6	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.042	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	7.5	172.3	-59.3	0	0	0	0	113.7	F381 N494 L495 L500 R519 A523	F381-V498 HydrophobicContact CD1-CB 4.2Å; F381-V498 HydrophobicContact CD1-CG1 3.84Å; F381-V498 HydrophobicContact CE1-CB 3.71Å; F381-V498 HydrophobicContact CE1-CG1 3.83Å; N494-V498 PolarHBondContact O-N 3.43Å; L495-V498 WeakPolarHBondContact O-CG2 3.39Å; V498-L500 HydrophobicContact CG2-CB 4.31Å; V498-L500 PolarHBondContact O-N 2.91Å; V498-R519 HydrophobicContact CG2-CB 4.18Å; V498-R519 WeakPolarHBondContact O-CD 3.22Å; V498-A523 HydrophobicContact CG1-CB 3.86Å; V498-A523 HydrophobicContact CG2-CB 4.02Å
499	G	82.8	Confident	86.5	Confident	9 Å²	9	48.9 Å²	48.9	9%	0.093	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	15.7	178.6	0	0	0	0	0	114.8	G496 M497 A501 R519	G496-G499 PolarHBondContact O-N 2.81Å; G496-G499 VanDerWaalsContact O-N 3.14Å; M497-G499 PolarHBondContact O-N 2.71Å; M497-G499 VanDerWaalsContact O-N 3.09Å; G499-A501 PolarHBondContact O-N 3.01Å; G499-R519 PolarHBondContact O-NH1 3.27Å
500	L	85	Confident	86.3	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.254	C	S	.	.			trans	-75.5	125.5	172.6	-169.8	67.6	0	0	0	109.6	P476 L495 V498 A504 H505 Q516 V520	P476-L500 HydrophobicContact CB-CD2 4.25Å; P476-L500 HydrophobicContact CG-CD2 4.23Å; L495-L500 HydrophobicContact CB-CB 4.43Å; L495-L500 HydrophobicContact CB-CD2 4.32Å; L495-L500 HydrophobicContact CD2-CD2 3.91Å; L495-L500 HydrophobicContact CG-CD2 4.5Å; L495-L500 WeakPolarHBondContact O-CA 3.25Å; L495-L500 WeakPolarHBondContact O-CB 3.05Å; L495-L500 PolarHBondContact O-N 2.86Å; V498-L500 HydrophobicContact CG2-CB 4.31Å; V498-L500 PolarHBondContact O-N 2.91Å; L500-A504 HydrophobicContact CD1-CB 3.84Å; L500-A504 HydrophobicContact CD2-CB 4.43Å; L500-A504 HydrophobicContact CG-CB 3.98Å; L500-H505 PolarHBondContact O-NE2 3.43Å; L500-Q516 HydrophobicContact CD1-CB 3.89Å; L500-Q516 HydrophobicContact CD1-CG 3.97Å; L500-V520 HydrophobicContact CD2-CG2 3.78Å
501	A	81.6	Confident	86	Confident	41 Å²	41	49.9 Å²	49.9	34%	0.339	27%	0.267	S	S	.	.			trans	-63.3	143.1	-178	0	0	0	0	0	112	G499 H503 A504 H505	G499-A501 PolarHBondContact O-N 3.01Å; A501-H503 WeakPolarHBondContact CB-CE1 3.44Å; A501-H503 PolarHBondContact O-N 3.46Å; A501-A504 WeakPolarHBondContact O-CB 3.43Å; A501-A504 PolarHBondContact O-N 3.28Å; A501-H505 PolarHBondContact O-CD2 3.29Å; A501-H505 PolarHBondContact O-N 3.31Å
502	S	82.3	Confident	85.8	Confident	79 Å²	79	50.3 Å²	50.3	55%	0.552	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24	-171.8	-52.3	0	0	0	0	115.8	R492	R492-S502 PolarHBondContact NH2-O 3.32Å
503	H	82.3	Confident	85.2	Confident	94 Å²	94	50 Å²	50	44%	0.435	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-34.5	174.7	60.7	-84.5	0	0	0	111.6	A501 H505 T506 I507	A501-H503 WeakPolarHBondContact CB-CE1 3.44Å; A501-H503 PolarHBondContact O-N 3.46Å; H503-H505 PolarHBondContact O-N 2.87Å; H503-T506 PolarHBondContact O-N 2.85Å; H503-T506 PolarHBondContact O-OG1 3.43Å; H503-I507 WeakPolarHBondContact O-CG1 3.29Å
504	A	85	Confident	84.8	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-69.4	-15.7	177.8	0	0	0	0	0	112.7	L500 A501 T506 L512	L500-A504 HydrophobicContact CD1-CB 3.84Å; L500-A504 HydrophobicContact CD2-CB 4.43Å; L500-A504 HydrophobicContact CG-CB 3.98Å; A501-A504 WeakPolarHBondContact O-CB 3.43Å; A501-A504 PolarHBondContact O-N 3.28Å; A504-T506 PolarHBondContact O-N 3.4Å; A504-L512 HydrophobicContact CB-CD2 3.85Å
505	H	87.8	Confident	84.4	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.009	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.2	-28.3	175.3	-64.8	-176.2	0	0	0	113	V477 R492 L495 L500 A501 H503	V477-H505 HydrophobicContact CG2-CB 3.77Å; V477-H505 VanDerWaalsContact CG2-O 3.3Å; V477-H505 WeakPolarHBondContact CG2-O 3.48Å; V477-H505 PolarHBondContact N-O 3.27Å; R492-H505 PolarHBondContact O-CE1 2.84Å; L495-H505 WeakPolarHBondContact CB-NE2 2.86Å; L495-H505 HydrophobicContact CD1-CB 4.35Å; L500-H505 PolarHBondContact O-NE2 3.43Å; A501-H505 PolarHBondContact O-CD2 3.29Å; A501-H505 PolarHBondContact O-N 3.31Å; H503-H505 PolarHBondContact O-N 2.87Å
506	T	85.9	Confident	84.3	Confident	72 Å²	72	44 Å²	44	44%	0.442	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-115.9	2.3	-174.7	55.2	0	0	0	0	113	T475 H503 A504	T475-T506 VanDerWaalsContact CG2-O 3.24Å; T475-T506 WeakPolarHBondContact CG2-O 3.24Å; H503-T506 PolarHBondContact O-N 2.85Å; H503-T506 PolarHBondContact O-OG1 3.43Å; A504-T506 PolarHBondContact O-N 3.4Å
507	I	87.2	Confident	84.3	Confident	66 Å²	66	44.3 Å²	44.3	34%	0.338	25%	0.252	S	S	.	.	S	Bend	trans	-87.2	142.3	171.6	-65.8	168.6	0	0	0	107.1	P476 H503 L512	P476-I507 WeakPolarHBondContact CD-O 3.29Å; H503-I507 WeakPolarHBondContact O-CG1 3.29Å; I507-L512 HydrophobicContact CB-CD2 4.25Å; I507-L512 HydrophobicContact CG2-CD2 4.17Å
508	Q	88	Confident	84.3	Confident	69 Å²	69	41.2 Å²	41.2	32%	0.322	24%	0.238	S	C	.	.			trans	-60.8	142.3	178	-67.8	179.6	-42.1	0	0	111.1	D473 R510 S511	D473-Q508 PolarHBondContact O-NE2 3.32Å; D473-Q508 VanDerWaalsContact O-NE2 3.13Å; Q508-R510 HydrophobicContact CB-CG 4.05Å; Q508-R510 PolarHBondContact O-N 3.15Å; Q508-S511 PolarHBondContact O-N 2.88Å
509	I	86.6	Confident	84.4	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.5	-175	-69	170.9	0	0	0	111.5	L470 E474 P476 Y479 S511 L512 K517	L470-I509 HydrophobicContact CB-CD1 4.21Å; L470-I509 HydrophobicContact CB-CG2 3.77Å; L470-I509 HydrophobicContact CD1-CG2 4.01Å; E474-I509 WeakPolarHBondContact O-CG1 3.38Å; E474-I509 PolarHBondContact O-N 3.1Å; P476-I509 HydrophobicContact CG-CD1 4.5Å; P476-I509 HydrophobicContact CG-CG1 3.88Å; Y479-I509 HydrophobicContact CD2-CD1 4.45Å; Y479-I509 HydrophobicContact CG-CD1 4.14Å; I509-S511 PolarHBondContact O-N 3.12Å; I509-S511 VanDerWaalsContact O-N 3.16Å; I509-L512 HydrophobicContact CG1-CD1 4.33Å; I509-L512 WeakPolarHBondContact O-CB 3.41Å; I509-L512 PolarHBondContact O-N 2.95Å; I509-L512 VanDerWaalsContact O-N 3.07Å; I509-K517 HydrophobicContact CG2-CG 4.27Å; I509-K517 WeakPolarHBondContact O-CE 3.36Å
510	R	85.1	Confident	84.7	Confident	144 Å²	144	40.9 Å²	40.9	54%	0.543	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-55.3	-32.4	176	67.6	-172.6	179.7	172.6	1.5	114.5	A472 D473 Q508	A472-R510 HydrophobicContact CB-CB 4.06Å; A472-R510 WeakPolarHBondContact O-CB 3.17Å; A472-R510 WeakPolarHBondContact O-CG 3.45Å; A472-R510 PolarHBondContact O-N 2.86Å; D473-R510 IonicContact OD1-NH1 3.2Å; Q508-R510 HydrophobicContact CB-CG 4.05Å; Q508-R510 PolarHBondContact O-N 3.15Å
511	S	83.8	Confident	84.9	Confident	84 Å²	84	41 Å²	41	59%	0.587	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-90.8	-3.5	-177.4	-56.6	0	0	0	0	113.3	Q508 I509	Q508-S511 PolarHBondContact O-N 2.88Å; I509-S511 PolarHBondContact O-N 3.12Å; I509-S511 VanDerWaalsContact O-N 3.16Å
512	L	83.6	Confident	85.2	Confident	9 Å²	9	39.2 Å²	39.2	5%	0.047	22%	0.219	C	C	.	.	S	Bend	trans	-78.2	148.1	177.2	-61.2	-177.7	0	0	0	110.9	P476 A504 I507 I509 Q516 K517 V520	P476-L512 HydrophobicContact CG-CD1 3.7Å; A504-L512 HydrophobicContact CB-CD2 3.85Å; I507-L512 HydrophobicContact CB-CD2 4.25Å; I507-L512 HydrophobicContact CG2-CD2 4.17Å; I509-L512 HydrophobicContact CG1-CD1 4.33Å; I509-L512 WeakPolarHBondContact O-CB 3.41Å; I509-L512 PolarHBondContact O-N 2.95Å; I509-L512 VanDerWaalsContact O-N 3.07Å; L512-Q516 HydrophobicContact CB-CB 3.9Å; L512-Q516 HydrophobicContact CD1-CB 4.5Å; L512-Q516 HydrophobicContact CD2-CB 4.48Å; L512-K517 HydrophobicContact CB-CG 3.96Å; L512-K517 VanDerWaalsContact O-CE 3.3Å; L512-K517 WeakPolarHBondContact O-CE 3.44Å; L512-V520 HydrophobicContact CD1-CG2 4.23Å
513	S	78.6	Confident	85.5	Confident	58 Å²	58	35.5 Å²	35.5	41%	0.406	19%	0.194	S	C	.	.			trans	-69.7	161.2	172.1	70.8	0	0	0	0	111.6	G515 Q516 K517	S513-G515 VanDerWaalsContact C-N 3.32Å; S513-G515 PolarHBondContact O-N 3.28Å; S513-Q516 VanDerWaalsContact N-OE1 3.08Å; S513-Q516 WeakPolarHBondContact O-CA 3.38Å; S513-Q516 WeakPolarHBondContact O-CB 3.4Å; S513-Q516 PolarHBondContact O-N 3.45Å; S513-Q516 WeakPolarHBondContact OG-CG 3.28Å; S513-Q516 PolarHBondContact OG-N 3.34Å; S513-K517 PolarHBondContact O-N 3.23Å
514	G	79	Confident	85.9	Confident	32 Å²	32	33.4 Å²	33.4	33%	0.33	18%	0.184	S	C	.	.	H	α-helix	trans	-49.5	-50.3	176.8	0	0	0	0	0	112.8	Q516 K517 S518	G514-Q516 VanDerWaalsContact C-N 3.31Å; G514-Q516 PolarHBondContact O-N 2.89Å; G514-K517 WeakPolarHBondContact O-CB 3.39Å; G514-K517 PolarHBondContact O-N 3.29Å; G514-K517 VanDerWaalsContact O-N 3.1Å; G514-S518 PolarHBondContact O-N 3.41Å; G514-S518 PolarHBondContact O-OG 3.2Å; G514-S518 VanDerWaalsContact O-OG 3.09Å
515	G	80.7	Confident	86.1	Confident	4 Å²	4	33.8 Å²	33.8	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-29.7	177.9	0	0	0	0	0	114.6	S513 R519 N541	S513-G515 VanDerWaalsContact C-N 3.32Å; S513-G515 PolarHBondContact O-N 3.28Å; G515-R519 WeakPolarHBondContact O-CG 2.99Å; G515-R519 PolarHBondContact O-N 2.91Å; G515-N541 WeakPolarHBondContact CA-O 3.37Å
516	Q	85.8	Confident	86.1	Confident	35 Å²	35	34.6 Å²	34.6	16%	0.164	19%	0.193	C	C	.	.	H	α-helix	trans	-71.7	-41	172.3	-73.5	174	-22.7	0	0	111.3	L500 L512 S513 G514 R519 V520	L500-Q516 HydrophobicContact CD1-CB 3.89Å; L500-Q516 HydrophobicContact CD1-CG 3.97Å; L512-Q516 HydrophobicContact CB-CB 3.9Å; L512-Q516 HydrophobicContact CD1-CB 4.5Å; L512-Q516 HydrophobicContact CD2-CB 4.48Å; S513-Q516 VanDerWaalsContact N-OE1 3.08Å; S513-Q516 WeakPolarHBondContact O-CA 3.38Å; S513-Q516 WeakPolarHBondContact O-CB 3.4Å; S513-Q516 PolarHBondContact O-N 3.45Å; S513-Q516 WeakPolarHBondContact OG-CG 3.28Å; S513-Q516 PolarHBondContact OG-N 3.34Å; G514-Q516 VanDerWaalsContact C-N 3.31Å; G514-Q516 PolarHBondContact O-N 2.89Å; Q516-R519 PolarHBondContact O-N 3.38Å; Q516-V520 WeakPolarHBondContact O-CG2 3.06Å; Q516-V520 PolarHBondContact O-N 3.44Å
517	K	86.9	Confident	86.2	Confident	41 Å²	41	33.4 Å²	33.4	18%	0.178	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-44.4	173.9	-66.8	179.1	179.7	176.3	0	111.3	L470 I509 L512 S513 G514 R519 V520 A521	L470-K517 HydrophobicContact CD1-CB 4.03Å; L470-K517 HydrophobicContact CD1-CG 4.5Å; I509-K517 HydrophobicContact CG2-CG 4.27Å; I509-K517 WeakPolarHBondContact O-CE 3.36Å; L512-K517 HydrophobicContact CB-CG 3.96Å; L512-K517 VanDerWaalsContact O-CE 3.3Å; L512-K517 WeakPolarHBondContact O-CE 3.44Å; S513-K517 PolarHBondContact O-N 3.23Å; G514-K517 WeakPolarHBondContact O-CB 3.39Å; G514-K517 PolarHBondContact O-N 3.29Å; G514-K517 VanDerWaalsContact O-N 3.1Å; K517-R519 PolarHBondContact O-N 3.14Å; K517-V520 WeakPolarHBondContact O-CB 3.41Å; K517-V520 PolarHBondContact O-N 3.42Å; K517-A521 PolarHBondContact O-N 2.66Å
518	S	86.3	Confident	86.3	Confident	13 Å²	13	32.6 Å²	32.6	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-54.2	-41.7	174.4	-59.5	0	0	0	0	111.6	G514 V520 A521 M522	G514-S518 PolarHBondContact O-N 3.41Å; G514-S518 PolarHBondContact O-OG 3.2Å; G514-S518 VanDerWaalsContact O-OG 3.09Å; S518-V520 PolarHBondContact O-N 2.86Å; S518-A521 PolarHBondContact O-N 2.96Å; S518-M522 VanDerWaalsContact O-CG 3.3Å; S518-M522 WeakPolarHBondContact O-CG 3.27Å; S518-M522 PolarHBondContact O-N 2.93Å
519	R	87.6	Confident	86.2	Confident	9 Å²	9	30.6 Å²	30.6	3%	0.034	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-36.9	175.9	-70.9	173.7	-167.7	175	8.6	113.6	Y377 V498 G499 G515 Q516 K517 M522 A523 D543	Y377-R519 PolarHBondContact OH-NH1 3.46Å; Y377-R519 PolarHBondContact OH-NH2 3Å; V498-R519 HydrophobicContact CG2-CB 4.18Å; V498-R519 WeakPolarHBondContact O-CD 3.22Å; G499-R519 PolarHBondContact O-NH1 3.27Å; G515-R519 WeakPolarHBondContact O-CG 2.99Å; G515-R519 PolarHBondContact O-N 2.91Å; Q516-R519 PolarHBondContact O-N 3.38Å; K517-R519 PolarHBondContact O-N 3.14Å; R519-M522 PolarHBondContact O-N 3.08Å; R519-A523 PolarHBondContact O-N 2.99Å; R519-D543 IonicContact CZ-OD2 3.92Å; R519-D543 IonicContact NH2-OD1 3.72Å; R519-D543 PolarHBondContact NH2-OD1 3.1Å; R519-D543 IonicContact NH2-OD2 2.8Å; R519-D543 PolarHBondContact NH2-OD2 3.25Å
520	V	89.4	Confident	86.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-45.7	174.6	178.7	0	0	0	0	109.9	L470 P476 Y479 L495 L500 L512 Q516 K517 S518 M522 A523 E524	L470-V520 HydrophobicContact CD1-CB 4.09Å; L470-V520 HydrophobicContact CD1-CG1 4.15Å; L470-V520 HydrophobicContact CD2-CG1 4.03Å; P476-V520 HydrophobicContact CB-CG1 4.2Å; P476-V520 HydrophobicContact CB-CG2 3.85Å; P476-V520 HydrophobicContact CG-CG2 3.84Å; Y479-V520 HydrophobicContact CD1-CG1 4.35Å; L495-V520 HydrophobicContact CD2-CG2 4.36Å; L500-V520 HydrophobicContact CD2-CG2 3.78Å; L512-V520 HydrophobicContact CD1-CG2 4.23Å; Q516-V520 WeakPolarHBondContact O-CG2 3.06Å; Q516-V520 PolarHBondContact O-N 3.44Å; K517-V520 WeakPolarHBondContact O-CB 3.41Å; K517-V520 PolarHBondContact O-N 3.42Å; S518-V520 PolarHBondContact O-N 2.86Å; V520-M522 VanDerWaalsContact C-N 3.34Å; V520-M522 PolarHBondContact O-N 3.17Å; V520-A523 WeakPolarHBondContact O-CB 3.31Å; V520-A523 PolarHBondContact O-N 3.39Å; V520-A523 VanDerWaalsContact O-N 3.14Å; V520-E524 PolarHBondContact O-N 3.5Å
521	A	89.1	Confident	86.6	Confident	7 Å²	7	23.9 Å²	23.9	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-39	175.6	0	0	0	0	0	112.2	F462 K517 S518 A523 E524 L525	F462-A521 HydrophobicContact CD2-CB 4.21Å; F462-A521 HydrophobicContact CE2-CB 3.76Å; K517-A521 PolarHBondContact O-N 2.66Å; S518-A521 PolarHBondContact O-N 2.96Å; A521-A523 VanDerWaalsContact C-N 3.34Å; A521-A523 PolarHBondContact O-N 2.75Å; A521-E524 WeakPolarHBondContact O-CB 3.25Å; A521-E524 PolarHBondContact O-N 3.07Å; A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 PolarHBondContact O-N 2.97Å
522	M	88.2	Confident	87	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-35.4	173.5	-70	-177.1	84.6	0	0	112.7	F381 F462 S518 R519 V520 L525 A526 L542 L550	F381-M522 HydrophobicContact CD1-CB 4.15Å; F381-M522 HydrophobicContact CD1-CE 3.57Å; F381-M522 HydrophobicContact CD1-SD 4.16Å; F381-M522 HydrophobicContact CD2-CE 3.7Å; F381-M522 HydrophobicContact CE1-CB 3.77Å; F381-M522 HydrophobicContact CE1-CE 3.46Å; F381-M522 VanDerWaalsContact CE1-CE 3.46Å; F381-M522 HydrophobicContact CE1-CG 4.25Å; F381-M522 HydrophobicContact CE1-SD 3.44Å; F381-M522 WeakPolarHBondContact CE1-SD 3.14Å; F381-M522 HydrophobicContact CE2-CE 3.6Å; F381-M522 HydrophobicContact CE2-SD 4.03Å; F381-M522 HydrophobicContact CG-CE 3.7Å; F381-M522 HydrophobicContact CZ-CE 3.48Å; F381-M522 VanDerWaalsContact CZ-CE 3.48Å; F381-M522 HydrophobicContact CZ-SD 3.37Å; F381-M522 WeakPolarHBondContact CZ-SD 3.4Å; F462-M522 HydrophobicContact CD2-CG 4.21Å; F462-M522 HydrophobicContact CE2-CG 3.69Å; F462-M522 HydrophobicContact CZ-CG 4.3Å; S518-M522 VanDerWaalsContact O-CG 3.3Å; S518-M522 WeakPolarHBondContact O-CG 3.27Å; S518-M522 PolarHBondContact O-N 2.93Å; R519-M522 PolarHBondContact O-N 3.08Å; V520-M522 VanDerWaalsContact C-N 3.34Å; V520-M522 PolarHBondContact O-N 3.17Å; M522-L525 PolarHBondContact O-N 3.26Å; M522-A526 WeakPolarHBondContact O-CB 3.23Å; M522-A526 PolarHBondContact O-N 3.45Å; M522-L542 HydrophobicContact SD-CD1 4.02Å; M522-L542 HydrophobicContact SD-CD2 4.19Å; M522-L550 HydrophobicContact CE-CB 4.27Å; M522-L550 HydrophobicContact CE-CD1 3.57Å; M522-L550 HydrophobicContact CE-CD2 4.11Å; M522-L550 HydrophobicContact CE-CG 4.18Å
523	A	89.4	Confident	87.4	Confident	2 Å²	2	19.4 Å²	19.4	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-40.6	174.5	0	0	0	0	0	111.9	L480 L495 V498 R519 V520 A521 A526 L527	L480-A523 HydrophobicContact CD1-CB 4.27Å; L495-A523 HydrophobicContact CD2-CB 4.19Å; V498-A523 HydrophobicContact CG1-CB 3.86Å; V498-A523 HydrophobicContact CG2-CB 4.02Å; R519-A523 PolarHBondContact O-N 2.99Å; V520-A523 WeakPolarHBondContact O-CB 3.31Å; V520-A523 PolarHBondContact O-N 3.39Å; V520-A523 VanDerWaalsContact O-N 3.14Å; A521-A523 VanDerWaalsContact C-N 3.34Å; A521-A523 PolarHBondContact O-N 2.75Å; A523-A526 PolarHBondContact O-N 3.11Å; A523-L527 WeakPolarHBondContact O-CB 3.37Å; A523-L527 VanDerWaalsContact O-CG 3.32Å; A523-L527 WeakPolarHBondContact O-CG 3.33Å; A523-L527 PolarHBondContact O-N 3.44Å
524	E	89.9	Confident	88.1	Confident	49 Å²	49	16.8 Å²	16.8	23%	0.229	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-45.2	172.9	-179	-169	169.6	0	0	111.5	Y479 L480 L483 F484 V520 A521 A526 L527 S528	Y479-E524 HydrophobicContact CE1-CG 4.42Å; Y479-E524 WeakPolarHBondContact CE1-OE2 3.48Å; Y479-E524 PolarHBondContact OH-OE1 3.1Å; Y479-E524 PolarHBondContact OH-OE2 3.2Å; L480-E524 HydrophobicContact CD2-CB 4.16Å; L483-E524 HydrophobicContact CD1-CG 4.11Å; F484-E524 HydrophobicContact CE2-CB 4.5Å; F484-E524 HydrophobicContact CE2-CG 4.02Å; F484-E524 HydrophobicContact CZ-CG 4.05Å; V520-E524 PolarHBondContact O-N 3.5Å; A521-E524 WeakPolarHBondContact O-CB 3.25Å; A521-E524 PolarHBondContact O-N 3.07Å; E524-A526 VanDerWaalsContact C-N 3.34Å; E524-A526 PolarHBondContact O-N 3.36Å; E524-L527 PolarHBondContact O-N 3.18Å; E524-S528 WeakPolarHBondContact O-CB 3.49Å; E524-S528 PolarHBondContact O-N 2.8Å; E524-S528 PolarHBondContact O-OG 3.4Å
525	L	89.2	Confident	88.7	Confident	9 Å²	9	15.3 Å²	15.3	5%	0.047	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-43.6	178.2	-174.8	63.9	0	0	0	111.7	F383 G460 F462 A521 M522 S528 P530 L533 L535	F383-L525 HydrophobicContact CE1-CD2 4.01Å; F383-L525 HydrophobicContact CE1-CG 4.12Å; F383-L525 HydrophobicContact CZ-CD2 4.48Å; G460-L525 VanDerWaalsContact CA-CD1 3.42Å; F462-L525 HydrophobicContact CB-CD2 4.15Å; A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 PolarHBondContact O-N 2.97Å; M522-L525 PolarHBondContact O-N 3.26Å; L525-S528 PolarHBondContact O-N 3.09Å; L525-P530 HydrophobicContact CD1-CG 4.23Å; L525-P530 VanDerWaalsContact O-CD 3.28Å; L525-P530 WeakPolarHBondContact O-CD 3.46Å; L525-L533 HydrophobicContact CD1-CD2 3.79Å; L525-L533 HydrophobicContact CD2-CD2 3.97Å; L525-L533 HydrophobicContact CG-CD2 3.89Å; L525-L535 HydrophobicContact CD2-CD2 3.85Å
526	A	88.2	Confident	89.2	Confident	19 Å²	19	15.7 Å²	15.7	16%	0.157	9%	0.091	C	C	.	.	H	α-helix	trans	-63.4	-40.2	175.9	0	0	0	0	0	112.5	F383 P384 M522 A523 E524	F383-A526 HydrophobicContact CD1-CB 4.22Å; F383-A526 HydrophobicContact CE1-CB 4.37Å; P384-A526 VanDerWaalsContact CD-O 3.27Å; P384-A526 WeakPolarHBondContact CD-O 3.18Å; M522-A526 WeakPolarHBondContact O-CB 3.23Å; M522-A526 PolarHBondContact O-N 3.45Å; A523-A526 PolarHBondContact O-N 3.11Å; E524-A526 VanDerWaalsContact C-N 3.34Å; E524-A526 PolarHBondContact O-N 3.36Å
527	L	88.5	Confident	89.3	Confident	46 Å²	46	14.7 Å²	14.7	24%	0.241	9%	0.086	C	C	.	.	H	α-helix	trans	-74.3	-28.7	179.5	-74.5	169	0	0	0	113.7	L480 F484 L486 N494 A523 E524 A529	L480-L527 HydrophobicContact CD1-CD1 4.01Å; L480-L527 HydrophobicContact CD2-CD1 3.98Å; L480-L527 HydrophobicContact CG-CD1 4.44Å; F484-L527 HydrophobicContact CD1-CB 4.11Å; F484-L527 HydrophobicContact CD2-CB 3.82Å; F484-L527 HydrophobicContact CD2-CD1 3.83Å; F484-L527 HydrophobicContact CD2-CG 4.45Å; F484-L527 HydrophobicContact CE1-CB 3.93Å; F484-L527 HydrophobicContact CE2-CB 3.62Å; F484-L527 HydrophobicContact CE2-CD1 4.09Å; F484-L527 HydrophobicContact CG-CB 4.07Å; F484-L527 HydrophobicContact CG-CD1 4.49Å; F484-L527 HydrophobicContact CZ-CB 3.68Å; L486-L527 HydrophobicContact CD1-CD1 3.76Å; L486-L527 HydrophobicContact CD1-CD2 4.1Å; N494-L527 HydrophobicContact CB-CD1 4.4Å; A523-L527 WeakPolarHBondContact O-CB 3.37Å; A523-L527 VanDerWaalsContact O-CG 3.32Å; A523-L527 WeakPolarHBondContact O-CG 3.33Å; A523-L527 PolarHBondContact O-N 3.44Å; E524-L527 PolarHBondContact O-N 3.18Å; L527-A529 PolarHBondContact O-N 3.23Å
528	S	87.5	Confident	89.3	Confident	49 Å²	49	12.9 Å²	12.9	34%	0.343	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.8	177.2	-62.6	0	0	0	0	113.4	F484 E524 L525	F484-S528 WeakPolarHBondContact CZ-OG 3.44Å; E524-S528 WeakPolarHBondContact O-CB 3.49Å; E524-S528 PolarHBondContact O-N 2.8Å; E524-S528 PolarHBondContact O-OG 3.4Å; L525-S528 PolarHBondContact O-N 3.09Å
529	A	86.5	Confident	89.2	Confident	28 Å²	28	13 Å²	13	23%	0.231	8%	0.079	C	C	.	.			trans	46	56.6	-179	0	0	0	0	0	113.2	P384 R458 L527	P384-A529 HydrophobicContact CB-CB 4.42Å; P384-A529 HydrophobicContact CG-CB 3.41Å; P384-A529 VanDerWaalsContact CG-CB 3.41Å; R458-A529 PolarHBondContact NH1-O 3.46Å; R458-A529 PolarHBondContact NH2-O 2.85Å; L527-A529 PolarHBondContact O-N 3.23Å
530	P	90.2	Very high	89	Confident	2 Å²	2	13.3 Å²	13.3	1%	0.013	8%	0.081	C	C	.	.			trans	-65.7	164.7	-179	30.1	-36	0	0	0	111.8	L525 L533 Y557	L525-P530 HydrophobicContact CD1-CG 4.23Å; L525-P530 VanDerWaalsContact O-CD 3.28Å; L525-P530 WeakPolarHBondContact O-CD 3.46Å; P530-L533 HydrophobicContact CB-CD2 4.28Å; P530-L533 HydrophobicContact CG-CD2 3.34Å; P530-L533 HydrophobicContact CG-CG 4.3Å; P530-Y557 PolarHBondContact O-OH 3.43Å
531	D	90.6	Very high	88.5	Confident	2 Å²	2	16 Å²	16	1%	0.011	10%	0.095	C	C	.	.	S	Bend	trans	-97.6	-32.1	174.1	-49.5	-58.4	0	0	0	111.9	P386 L389 L419 L457 R458 Y557 G559 G560	P386-D531 HydrophobicContact CB-CB 3.85Å; P386-D531 WeakPolarHBondContact CB-OD1 3.4Å; P386-D531 HydrophobicContact CG-CB 4.43Å; L389-D531 HydrophobicContact CD1-CB 4.19Å; L419-D531 HydrophobicContact CD2-CB 4.22Å; L457-D531 HydrophobicContact CD1-CB 3.71Å; R458-D531 VanDerWaalsContact CB-OD2 3.31Å; R458-D531 WeakPolarHBondContact CB-OD2 3.36Å; R458-D531 IonicContact CZ-OD1 2.83Å; R458-D531 IonicContact CZ-OD2 3.94Å; R458-D531 PolarHBondContact N-OD2 3.35Å; R458-D531 IonicContact NE-OD1 2.77Å; R458-D531 IonicContact NE-OD2 3.86Å; R458-D531 PolarHBondContact NE-OD2 2.97Å; R458-D531 IonicContact NH2-OD1 3.58Å; R458-D531 PolarHBondContact NH2-OD1 2.95Å; R458-D531 IonicContact NH2-OD2 3.98Å; R458-D531 PolarHBondContact O-N 2.99Å; D531-Y557 PolarHBondContact O-OH 3.33Å; D531-Y557 VanDerWaalsContact O-OH 3.1Å; D531-G559 WeakPolarHBondContact O-CA 3.09Å; D531-G560 PolarHBondContact O-N 3.39Å
532	V	90.9	Very high	88.3	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.5	172.7	172.9	0	0	0	0	109.5	I393 I417 L419 L457 R458 I459 G460 I534 G560	I393-V532 HydrophobicContact CG2-CG2 4.05Å; I417-V532 HydrophobicContact CG2-CG1 4.48Å; L419-V532 HydrophobicContact CD2-CG2 4.33Å; L457-V532 HydrophobicContact CD1-CB 4.14Å; L457-V532 HydrophobicContact CD1-CG2 3.58Å; R458-V532 PolarHBondContact O-N 3.33Å; I459-V532 CarbonylContact C-O 3.55Å; I459-V532 WeakPolarHBondContact CA-O 3.45Å; G460-V532 PolarHBondContact N-O 3.13Å; V532-I534 HydrophobicContact CG1-CG1 4.3Å; V532-G560 CarbonylContact C-O 3.55Å; V532-G560 VanDerWaalsContact CA-O 3.25Å; V532-G560 WeakPolarHBondContact CA-O 3.41Å
533	L	92.6	Very high	88.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.4	174.5	-67.2	175.8	0	0	0	110	F383 L525 P530 L535 Y557 G560 V561 V562	F383-L533 HydrophobicContact CB-CD1 4.45Å; F383-L533 HydrophobicContact CD1-CD1 4.27Å; F383-L533 HydrophobicContact CD2-CD1 3.94Å; F383-L533 HydrophobicContact CE2-CD1 4.24Å; F383-L533 HydrophobicContact CG-CD1 3.96Å; L525-L533 HydrophobicContact CD1-CD2 3.79Å; L525-L533 HydrophobicContact CD2-CD2 3.97Å; L525-L533 HydrophobicContact CG-CD2 3.89Å; P530-L533 HydrophobicContact CB-CD2 4.28Å; P530-L533 HydrophobicContact CG-CD2 3.34Å; P530-L533 HydrophobicContact CG-CG 4.3Å; L533-L535 HydrophobicContact CB-CD2 4.49Å; L533-Y557 HydrophobicContact CB-CE1 4.45Å; L533-Y557 HydrophobicContact CD1-CD1 3.71Å; L533-Y557 HydrophobicContact CD1-CE1 3.57Å; L533-Y557 HydrophobicContact CD1-CG 4.28Å; L533-Y557 HydrophobicContact CG-CD1 4.32Å; L533-Y557 HydrophobicContact CG-CE1 3.67Å; L533-G560 PolarHBondContact N-O 2.83Å; L533-V561 HydrophobicContact CB-CG1 4.43Å; L533-V561 HydrophobicContact CB-CG2 4.37Å; L533-V561 HydrophobicContact CD1-CG2 4.43Å; L533-V561 WeakPolarHBondContact O-CA 3.47Å; L533-V562 PolarHBondContact O-N 3.1Å
534	I	93.2	Very high	88	Confident	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.7	170.5	-61.3	-174.1	0	0	0	107.9	L394 L437 L440 L441 I459 G460 R461 F462 V532 V562	L394-I534 HydrophobicContact CD2-CD1 4.41Å; L437-I534 HydrophobicContact CB-CG2 4.38Å; L437-I534 HydrophobicContact CD1-CG2 3.93Å; L437-I534 HydrophobicContact CD2-CG2 3.73Å; L437-I534 HydrophobicContact CG-CG2 4.22Å; L440-I534 HydrophobicContact CD2-CD1 3.83Å; L440-I534 HydrophobicContact CG-CD1 4.32Å; L441-I534 HydrophobicContact CD2-CD1 3.75Å; L441-I534 HydrophobicContact CG-CD1 4.08Å; I459-I534 HydrophobicContact CG2-CB 4.47Å; I459-I534 HydrophobicContact CG2-CD1 3.79Å; I459-I534 HydrophobicContact CG2-CG1 3.89Å; G460-I534 PolarHBondContact O-N 2.86Å; R461-I534 CarbonylContact C-O 3.59Å; R461-I534 WeakPolarHBondContact CA-O 3.29Å; F462-I534 PolarHBondContact N-O 2.77Å; V532-I534 HydrophobicContact CG1-CG1 4.3Å; I534-V562 CarbonylContact C-O 3.54Å; I534-V562 VanDerWaalsContact CA-O 3.24Å; I534-V562 WeakPolarHBondContact CA-O 3.46Å
535	L	92.3	Very high	87.7	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.1	-175	-50.4	178.2	0	0	0	110	F462 L525 L533 P538 I554 V562 M563 V564	F462-L535 HydrophobicContact CB-CD2 3.5Å; F462-L535 VanDerWaalsContact CB-CD2 3.5Å; F462-L535 HydrophobicContact CG-CD2 4.39Å; F462-L535 CarbonylContact O-C 3.52Å; F462-L535 WeakPolarHBondContact O-CA 3.27Å; L525-L535 HydrophobicContact CD2-CD2 3.85Å; L533-L535 HydrophobicContact CB-CD2 4.49Å; L535-P538 HydrophobicContact CB-CB 4.14Å; L535-P538 HydrophobicContact CB-CG 3.91Å; L535-P538 HydrophobicContact CD1-CG 4.33Å; L535-I554 HydrophobicContact CD1-CD1 3.97Å; L535-V562 PolarHBondContact N-O 2.95Å; L535-M563 HydrophobicContact CB-CB 4.02Å; L535-M563 CarbonylContact O-C 3.52Å; L535-M563 WeakPolarHBondContact O-CA 3.4Å; L535-V564 PolarHBondContact O-N 3.18Å
536	D	90.9	Very high	87.5	Confident	12 Å²	12	16.1 Å²	16.1	6%	0.064	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	106.6	176.1	-163.7	2.8	0	0	0	110.3	S434 L437 F462 D463	S434-D536 VanDerWaalsContact CB-OD2 3.32Å; S434-D536 WeakPolarHBondContact CB-OD2 3.46Å; S434-D536 PolarHBondContact OG-OD2 3.25Å; L437-D536 HydrophobicContact CD1-CB 3.61Å; F462-D536 PolarHBondContact O-N 3.29Å; D463-D536 HydrophobicContact CB-CB 3.95Å
537	E	87.8	Confident	87.4	Confident	14 Å²	14	15.4 Å²	15.4	7%	0.065	9%	0.088	C	C	.	.	S	Bend	trans	47.6	59	-177.3	-62.1	-68.1	170.7	0	0	113.3	T539 N540 V564 T565 H566	E537-T539 PolarHBondContact O-N 3.01Å; E537-T539 VanDerWaalsContact O-N 3.15Å; E537-N540 WeakPolarHBondContact CB-ND2 3.33Å; E537-N540 PolarHBondContact O-N 3.44Å; E537-N540 PolarHBondContact O-ND2 3.26Å; E537-V564 VanDerWaalsContact CA-O 3.24Å; E537-V564 WeakPolarHBondContact CA-O 3.49Å; E537-V564 HydrophobicContact CG-CG1 4.36Å; E537-V564 PolarHBondContact N-O 2.9Å; E537-T565 WeakPolarHBondContact OE2-CA 3.49Å; E537-H566 IonicContact OE1-CD2 3.83Å; E537-H566 PolarHBondContact OE1-CD2 2.86Å; E537-H566 IonicContact OE1-CG 2.93Å; E537-H566 IonicContact OE1-NE2 3.82Å; E537-H566 PolarHBondContact OE1-NE2 3.2Å; E537-H566 IonicContact OE2-CD2 2.69Å; E537-H566 PolarHBondContact OE2-N 3.12Å; E537-H566 VanDerWaalsContact OE2-N 3.11Å
538	P	87.2	Confident	87.4	Confident	2 Å²	2	15.7 Å²	15.7	1%	0.013	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.6	-172.1	30	-37.1	0	0	0	114	F462 L535 N540 L542 L550 V564 L570	F462-P538 HydrophobicContact CD1-CB 3.94Å; F462-P538 HydrophobicContact CE1-CB 4.09Å; L535-P538 HydrophobicContact CB-CB 4.14Å; L535-P538 HydrophobicContact CB-CG 3.91Å; L535-P538 HydrophobicContact CD1-CG 4.33Å; P538-N540 VanDerWaalsContact C-N 3.3Å; P538-N540 PolarHBondContact O-N 2.8Å; P538-L542 WeakPolarHBondContact O-CD1 3.47Å; P538-L542 WeakPolarHBondContact O-CG 3.28Å; P538-L550 HydrophobicContact CB-CD2 3.87Å; P538-L550 HydrophobicContact CG-CD2 4.1Å; P538-V564 WeakPolarHBondContact CD-O 3.48Å; P538-L570 HydrophobicContact CG-CD2 3.91Å
539	T	84.6	Confident	87.4	Confident	17 Å²	17	13.5 Å²	13.5	10%	0.104	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-15.8	-178.2	56.7	0	0	0	0	113.2	E537 N541 L542 I547 D567 L570	E537-T539 PolarHBondContact O-N 3.01Å; E537-T539 VanDerWaalsContact O-N 3.15Å; T539-N541 PolarHBondContact O-N 3.37Å; T539-L542 PolarHBondContact O-N 3.27Å; T539-L542 VanDerWaalsContact O-N 3.09Å; T539-I547 HydrophobicContact CG2-CD1 4.44Å; T539-I547 HydrophobicContact CG2-CG1 4.3Å; T539-I547 HydrophobicContact CG2-CG2 4.37Å; T539-D567 HydrophobicContact CG2-CB 3.71Å; T539-L570 HydrophobicContact CG2-CB 4.37Å; T539-L570 HydrophobicContact CG2-CD2 3.85Å
540	N	83.5	Confident	87.6	Confident	15 Å²	15	12.2 Å²	12.2	8%	0.08	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	128.4	178.2	-75.2	-33.5	0	0	0	111.1	E537 P538 L542	E537-N540 WeakPolarHBondContact CB-ND2 3.33Å; E537-N540 PolarHBondContact O-N 3.44Å; E537-N540 PolarHBondContact O-ND2 3.26Å; P538-N540 VanDerWaalsContact C-N 3.3Å; P538-N540 PolarHBondContact O-N 2.8Å; N540-L542 PolarHBondContact O-N 3.14Å; N540-L542 VanDerWaalsContact O-N 3.11Å
541	N	78.9	Confident	87.6	Confident	55 Å²	55	12.2 Å²	12.2	29%	0.294	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	7.3	-178.4	-45.8	104.5	0	0	0	116	N107 G515 T539	N107-N541 PolarHBondContact ND2-O 2.93Å; G515-N541 WeakPolarHBondContact CA-O 3.37Å; T539-N541 PolarHBondContact O-N 3.37Å
542	L	84.3	Confident	87.6	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.			trans	-83.5	145.6	171.9	-67.9	-171.6	0	0	0	110.8	H275 M522 P538 T539 N540 I547 L550	H275-L542 PolarHBondContact CD2-O 3.17Å; H275-L542 VanDerWaalsContact CG-O 3.24Å; M522-L542 HydrophobicContact SD-CD1 4.02Å; M522-L542 HydrophobicContact SD-CD2 4.19Å; P538-L542 WeakPolarHBondContact O-CD1 3.47Å; P538-L542 WeakPolarHBondContact O-CG 3.28Å; T539-L542 PolarHBondContact O-N 3.27Å; T539-L542 VanDerWaalsContact O-N 3.09Å; N540-L542 PolarHBondContact O-N 3.14Å; N540-L542 VanDerWaalsContact O-N 3.11Å; L542-I547 HydrophobicContact CB-CG1 4.05Å; L542-L550 HydrophobicContact CD1-CD2 4.22Å
543	D	85.7	Confident	87.6	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.			trans	-81.8	164.5	171.2	55	15.5	0	0	0	111.2	N107 Y377 R519 E545 S546 I547	N107-D543 PolarHBondContact N-OD2 3.44Å; Y377-D543 WeakPolarHBondContact CE1-OD2 3.32Å; Y377-D543 PolarHBondContact OH-OD2 3.32Å; R519-D543 IonicContact CZ-OD2 3.92Å; R519-D543 IonicContact NH2-OD1 3.72Å; R519-D543 PolarHBondContact NH2-OD1 3.1Å; R519-D543 IonicContact NH2-OD2 2.8Å; R519-D543 PolarHBondContact NH2-OD2 3.25Å; D543-E545 VanDerWaalsContact C-N 3.25Å; D543-E545 PolarHBondContact O-N 3.09Å; D543-S546 WeakPolarHBondContact O-CB 3.5Å; D543-S546 PolarHBondContact O-N 3.43Å; D543-S546 WeakPolarHBondContact OD1-CB 3.48Å; D543-S546 PolarHBondContact OD1-N 3.32Å; D543-S546 VanDerWaalsContact OD1-N 3.12Å; D543-S546 PolarHBondContact OD1-OG 3.01Å; D543-I547 PolarHBondContact O-N 2.92Å
544	I	84.7	Confident	87.5	Confident	10 Å²	10	16.9 Å²	16.9	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-53	-46.7	-175.7	-64.6	178.7	0	0	0	110.6	H275 Q277 Y302 S546 I547 D548	H275-I544 HydrophobicContact CB-CG1 4.22Å; H275-I544 WeakPolarHBondContact O-CG1 3.2Å; Q277-I544 HydrophobicContact CG-CG2 4.35Å; Y302-I544 HydrophobicContact CE2-CD1 3.89Å; Y302-I544 WeakPolarHBondContact OH-CD1 3.49Å; I544-S546 VanDerWaalsContact C-N 3.31Å; I544-S546 PolarHBondContact O-N 3.46Å; I544-I547 PolarHBondContact O-N 3.11Å; I544-I547 VanDerWaalsContact O-N 3.17Å; I544-D548 PolarHBondContact O-N 3.1Å
545	E	84.6	Confident	87.4	Confident	64 Å²	64	19.9 Å²	19.9	30%	0.299	10%	0.102	S	C	.	.	H	α-helix	trans	-66	-31.2	-179.5	-60.8	84.7	170.1	0	0	113.1	Y377 D543 A549	Y377-E545 HydrophobicContact CD1-CB 4.2Å; Y377-E545 HydrophobicContact CD1-CG 4.26Å; Y377-E545 HydrophobicContact CE1-CB 4.05Å; Y377-E545 HydrophobicContact CE1-CG 4.5Å; D543-E545 VanDerWaalsContact C-N 3.25Å; D543-E545 PolarHBondContact O-N 3.09Å; E545-A549 WeakPolarHBondContact O-CB 3.4Å; E545-A549 PolarHBondContact O-N 3.02Å; E545-A549 VanDerWaalsContact O-N 3.15Å
546	S	85.3	Confident	87.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-71.2	-35.4	173.4	-61.2	0	0	0	0	111.7	F381 D543 I544 D548 A549 L550	F381-S546 WeakPolarHBondContact CE2-O 3.36Å; D543-S546 WeakPolarHBondContact O-CB 3.5Å; D543-S546 PolarHBondContact O-N 3.43Å; D543-S546 WeakPolarHBondContact OD1-CB 3.48Å; D543-S546 PolarHBondContact OD1-N 3.32Å; D543-S546 VanDerWaalsContact OD1-N 3.12Å; D543-S546 PolarHBondContact OD1-OG 3.01Å; I544-S546 VanDerWaalsContact C-N 3.31Å; I544-S546 PolarHBondContact O-N 3.46Å; S546-D548 VanDerWaalsContact C-N 3.34Å; S546-A549 PolarHBondContact O-N 3.25Å; S546-L550 WeakPolarHBondContact O-CB 3.31Å; S546-L550 PolarHBondContact O-N 3.26Å
547	I	86.8	Confident	87.2	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-42.6	176.9	-61.7	167.9	0	0	0	110	T539 L542 D543 I544 A549 L550 A551	T539-I547 HydrophobicContact CG2-CD1 4.44Å; T539-I547 HydrophobicContact CG2-CG1 4.3Å; T539-I547 HydrophobicContact CG2-CG2 4.37Å; L542-I547 HydrophobicContact CB-CG1 4.05Å; D543-I547 PolarHBondContact O-N 2.92Å; I544-I547 PolarHBondContact O-N 3.11Å; I544-I547 VanDerWaalsContact O-N 3.17Å; I547-A549 VanDerWaalsContact C-N 3.35Å; I547-A549 PolarHBondContact O-N 2.85Å; I547-L550 PolarHBondContact O-N 3.27Å; I547-A551 PolarHBondContact O-N 2.96Å
548	D	87.4	Confident	87.2	Confident	52 Å²	52	31.1 Å²	31.1	28%	0.278	15%	0.152	S	C	.	.	H	α-helix	trans	-58.4	-48.5	174.5	-61.5	27.8	0	0	0	110.8	I544 S546 L550 A551 E552 R569	I544-D548 PolarHBondContact O-N 3.1Å; S546-D548 VanDerWaalsContact C-N 3.34Å; D548-L550 PolarHBondContact O-N 3.23Å; D548-A551 PolarHBondContact O-N 3.06Å; D548-E552 PolarHBondContact O-N 3.5Å; D548-R569 IonicContact OD1-CZ 2.83Å; D548-R569 IonicContact OD1-NE 3.49Å; D548-R569 IonicContact OD1-NH1 3.62Å; D548-R569 PolarHBondContact OD1-NH1 2.74Å; D548-R569 IonicContact OD1-NH2 3.75Å; D548-R569 PolarHBondContact OD1-NH2 3.19Å; D548-R569 IonicContact OD2-CZ 3.77Å; D548-R569 IonicContact OD2-NH1 3.62Å; D548-R569 IonicContact OD2-NH2 2.81Å; D548-R569 PolarHBondContact OD2-NH2 2.79Å
549	A	88.3	Confident	87.3	Confident	4 Å²	4	31 Å²	31	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-33.7	-179.7	0	0	0	0	0	111.6	V379 F381 E545 S546 I547 A553	V379-A549 HydrophobicContact CB-CB 4.09Å; V379-A549 HydrophobicContact CG1-CB 3.9Å; V379-A549 WeakPolarHBondContact O-CB 3.41Å; F381-A549 HydrophobicContact CD2-CB 3.6Å; F381-A549 HydrophobicContact CE2-CB 3.91Å; E545-A549 WeakPolarHBondContact O-CB 3.4Å; E545-A549 PolarHBondContact O-N 3.02Å; E545-A549 VanDerWaalsContact O-N 3.15Å; S546-A549 PolarHBondContact O-N 3.25Å; I547-A549 VanDerWaalsContact C-N 3.35Å; I547-A549 PolarHBondContact O-N 2.85Å; A549-A553 VanDerWaalsContact O-CB 3.26Å; A549-A553 WeakPolarHBondContact O-CB 3.39Å; A549-A553 PolarHBondContact O-N 3.02Å
550	L	90.6	Very high	87.5	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-72.2	-43	178.4	176.5	55.7	0	0	0	110.4	F381 F383 M522 P538 L542 S546 I547 D548 A553 I554 L570	F381-L550 HydrophobicContact CD2-CB 4.06Å; F381-L550 HydrophobicContact CE2-CB 4.31Å; F383-L550 HydrophobicContact CE2-CD1 4.04Å; F383-L550 HydrophobicContact CZ-CD1 4.16Å; M522-L550 HydrophobicContact CE-CB 4.27Å; M522-L550 HydrophobicContact CE-CD1 3.57Å; M522-L550 HydrophobicContact CE-CD2 4.11Å; M522-L550 HydrophobicContact CE-CG 4.18Å; P538-L550 HydrophobicContact CB-CD2 3.87Å; P538-L550 HydrophobicContact CG-CD2 4.1Å; L542-L550 HydrophobicContact CD1-CD2 4.22Å; S546-L550 WeakPolarHBondContact O-CB 3.31Å; S546-L550 PolarHBondContact O-N 3.26Å; I547-L550 PolarHBondContact O-N 3.27Å; D548-L550 PolarHBondContact O-N 3.23Å; L550-A553 PolarHBondContact O-N 3.15Å; L550-I554 HydrophobicContact CD1-CD1 3.69Å; L550-I554 HydrophobicContact CD1-CG1 4.02Å; L550-I554 HydrophobicContact CG-CD1 3.78Å; L550-I554 WeakPolarHBondContact O-CB 3.45Å; L550-I554 WeakPolarHBondContact O-CD1 3.33Å; L550-I554 VanDerWaalsContact O-CG1 3.28Å; L550-I554 WeakPolarHBondContact O-CG1 3.47Å; L550-I554 PolarHBondContact O-N 3.41Å; L550-L570 HydrophobicContact CG-CD1 4.37Å
551	A	90.3	Very high	88	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-46.3	175	0	0	0	0	0	111.5	I547 D548 A553 I554 N555 L570 E573 T574	I547-A551 PolarHBondContact O-N 2.96Å; D548-A551 PolarHBondContact O-N 3.06Å; A551-A553 PolarHBondContact O-N 3.02Å; A551-I554 PolarHBondContact O-N 3.39Å; A551-N555 PolarHBondContact O-N 3.03Å; A551-N555 PolarHBondContact O-ND2 2.95Å; A551-L570 HydrophobicContact CB-CD1 3.97Å; A551-E573 HydrophobicContact CB-CB 3.86Å; A551-E573 WeakPolarHBondContact CB-OE2 3.48Å; A551-T574 HydrophobicContact CB-CG2 4.41Å
552	E	90.6	Very high	88.7	Confident	99 Å²	99	26.9 Å²	26.9	46%	0.463	13%	0.128	S	C	.	.	H	α-helix	trans	-58.9	-47.1	174.8	-172	176.9	-171.8	0	0	111.2	D548 I554 N555 E556	D548-E552 PolarHBondContact O-N 3.5Å; E552-I554 PolarHBondContact O-N 3.22Å; E552-N555 PolarHBondContact O-N 3.43Å; E552-E556 WeakPolarHBondContact O-CG 3.49Å; E552-E556 PolarHBondContact O-N 3.24Å
553	A	89.9	Confident	89.1	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-37.2	-179.8	0	0	0	0	0	113.5	F381 F383 A549 L550 A551 N555 Y557	F381-A553 HydrophobicContact CB-CB 3.58Å; F381-A553 VanDerWaalsContact O-CB 3.3Å; F381-A553 WeakPolarHBondContact O-CB 3.31Å; F383-A553 HydrophobicContact CD2-CB 3.8Å; F383-A553 HydrophobicContact CE2-CB 3.71Å; A549-A553 VanDerWaalsContact O-CB 3.26Å; A549-A553 WeakPolarHBondContact O-CB 3.39Å; A549-A553 PolarHBondContact O-N 3.02Å; L550-A553 PolarHBondContact O-N 3.15Å; A551-A553 PolarHBondContact O-N 3.02Å; A553-N555 VanDerWaalsContact C-N 3.34Å; A553-Y557 VanDerWaalsContact O-CB 3.25Å; A553-Y557 WeakPolarHBondContact O-CB 3.39Å; A553-Y557 PolarHBondContact O-N 2.95Å
554	I	90.7	Very high	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-37.8	176	-72.1	163.1	0	0	0	110.9	L535 L550 A551 E552 Y557 V561 M563 L570 T574	L535-I554 HydrophobicContact CD1-CD1 3.97Å; L550-I554 HydrophobicContact CD1-CD1 3.69Å; L550-I554 HydrophobicContact CD1-CG1 4.02Å; L550-I554 HydrophobicContact CG-CD1 3.78Å; L550-I554 WeakPolarHBondContact O-CB 3.45Å; L550-I554 WeakPolarHBondContact O-CD1 3.33Å; L550-I554 VanDerWaalsContact O-CG1 3.28Å; L550-I554 WeakPolarHBondContact O-CG1 3.47Å; L550-I554 PolarHBondContact O-N 3.41Å; A551-I554 PolarHBondContact O-N 3.39Å; E552-I554 PolarHBondContact O-N 3.22Å; I554-Y557 PolarHBondContact O-N 3.23Å; I554-V561 HydrophobicContact CG2-CG1 4.21Å; I554-V561 HydrophobicContact CG2-CG2 4.38Å; I554-M563 HydrophobicContact CD1-CE 3.79Å; I554-M563 HydrophobicContact CG2-CE 3.91Å; I554-L570 HydrophobicContact CD1-CD1 4.1Å; I554-T574 HydrophobicContact CB-CG2 4.05Å; I554-T574 HydrophobicContact CD1-CG2 4.4Å; I554-T574 HydrophobicContact CG2-CG2 3.73Å
555	N	90.6	Very high	89.5	Confident	65 Å²	65	26.4 Å²	26.4	35%	0.348	13%	0.126	S	C	.	.	H	α-helix	trans	-68.3	-39.1	177.5	-74.8	-25.7	0	0	0	112.3	A551 E552 A553 E573 T574	A551-N555 PolarHBondContact O-N 3.03Å; A551-N555 PolarHBondContact O-ND2 2.95Å; E552-N555 PolarHBondContact O-N 3.43Å; A553-N555 VanDerWaalsContact C-N 3.34Å; N555-E573 PolarHBondContact ND2-O 3.46Å; N555-T574 WeakPolarHBondContact OD1-CA 3.25Å
556	E	89.4	Confident	89.4	Confident	125 Å²	125	24.4 Å²	24.4	58%	0.584	12%	0.117	S	C	*	.	H	α-helix	trans	-72.6	-29.3	177.1	-70.1	-172.3	166.3	0	0	113	E552	E552-E556 WeakPolarHBondContact O-CG 3.49Å; E552-E556 PolarHBondContact O-N 3.24Å
557	Y	90.4	Very high	89.3	Confident	1 Å²	1	25.1 Å²	25.1	0%	0.004	12%	0.121	C	C	.	.			trans	-68.4	129.9	-176.3	-178.4	-115.5	0	0	0	112.8	F383 P384 R422 P530 D531 L533 A553 I554 G559 V561	F383-Y557 HydrophobicContact CB-CD2 3.4Å; F383-Y557 VanDerWaalsContact CB-CD2 3.4Å; F383-Y557 HydrophobicContact CB-CE2 3.84Å; F383-Y557 HydrophobicContact CB-CG 3.98Å; P384-Y557 WeakPolarHBondContact O-CE2 3.47Å; R422-Y557 PolarHBondContact NH2-O 3.35Å; P530-Y557 PolarHBondContact O-OH 3.43Å; D531-Y557 PolarHBondContact O-OH 3.33Å; D531-Y557 VanDerWaalsContact O-OH 3.1Å; L533-Y557 HydrophobicContact CB-CE1 4.45Å; L533-Y557 HydrophobicContact CD1-CD1 3.71Å; L533-Y557 HydrophobicContact CD1-CE1 3.57Å; L533-Y557 HydrophobicContact CD1-CG 4.28Å; L533-Y557 HydrophobicContact CG-CD1 4.32Å; L533-Y557 HydrophobicContact CG-CE1 3.67Å; A553-Y557 VanDerWaalsContact O-CB 3.25Å; A553-Y557 WeakPolarHBondContact O-CB 3.39Å; A553-Y557 PolarHBondContact O-N 2.95Å; I554-Y557 PolarHBondContact O-N 3.23Å; Y557-G559 VanDerWaalsContact CE1-C 3.48Å; Y557-V561 HydrophobicContact CD1-CG2 3.63Å; Y557-V561 HydrophobicContact CE1-CG2 3.99Å
558	K	88	Confident	89	Confident	138 Å²	138	25.6 Å²	25.6	60%	0.6	12%	0.123	S	C	*	.			trans	-96.6	8.8	-179.1	-60.7	-174.9	-167.9	127.3	0	115.3	D385	D385-K558 HydrophobicContact CB-CB 4.43Å; D385-K558 WeakPolarHBondContact OD1-CB 3.41Å; D385-K558 WeakPolarHBondContact OD1-CG 3.42Å; D385-K558 PolarHBondContact OD1-N 3.47Å; D385-K558 VanDerWaalsContact OD1-N 3.1Å; D385-K558 WeakPolarHBondContact OD2-CD 3.33Å; D385-K558 WeakPolarHBondContact OD2-CE 3.43Å; D385-K558 IonicContact OD2-NZ 2.67Å; D385-K558 PolarHBondContact OD2-NZ 2.85Å
559	G	88.4	Confident	88.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-92	174.3	171.5	0	0	0	0	0	112.8	L419 D531 Y557	L419-G559 CarbonylContact O-C 3.03Å; L419-G559 WeakPolarHBondContact O-CA 3.38Å; D531-G559 WeakPolarHBondContact O-CA 3.09Å; Y557-G559 VanDerWaalsContact CE1-C 3.48Å
560	G	90.3	Very high	88.7	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.6	177.5	0	0	0	0	0	110.3	L419 T421 D531 V532 L533	L419-G560 PolarHBondContact O-N 3.09Å; T421-G560 WeakPolarHBondContact O-CA 3.33Å; D531-G560 PolarHBondContact O-N 3.39Å; V532-G560 CarbonylContact C-O 3.55Å; V532-G560 VanDerWaalsContact CA-O 3.25Å; V532-G560 WeakPolarHBondContact CA-O 3.41Å; L533-G560 PolarHBondContact N-O 2.83Å
561	V	92.9	Very high	88.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.8	179.3	-175.2	0	0	0	0	109.7	T421 R422 I423 L533 I554 Y557 M563	T421-V561 PolarHBondContact O-N 2.69Å; R422-V561 CarbonylContact C-O 3.57Å; R422-V561 WeakPolarHBondContact CA-O 3.41Å; I423-V561 PolarHBondContact N-O 3.32Å; L533-V561 HydrophobicContact CB-CG1 4.43Å; L533-V561 HydrophobicContact CB-CG2 4.37Å; L533-V561 HydrophobicContact CD1-CG2 4.43Å; L533-V561 WeakPolarHBondContact O-CA 3.47Å; I554-V561 HydrophobicContact CG2-CG1 4.21Å; I554-V561 HydrophobicContact CG2-CG2 4.38Å; Y557-V561 HydrophobicContact CD1-CG2 3.63Å; Y557-V561 HydrophobicContact CE1-CG2 3.99Å; V561-M563 HydrophobicContact CG1-CE 3.72Å
562	V	93.3	Very high	88.2	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.6	167.3	-179.7	0	0	0	0	107.5	F415 I417 I423 I425 L437 L533 I534 L535	F415-V562 HydrophobicContact CE1-CG2 4.47Å; F415-V562 HydrophobicContact CZ-CG2 4.4Å; I417-V562 HydrophobicContact CD1-CG2 3.44Å; I417-V562 VanDerWaalsContact CD1-CG2 3.44Å; I417-V562 HydrophobicContact CG1-CG2 3.71Å; I417-V562 HydrophobicContact CG2-CG2 4.3Å; I423-V562 HydrophobicContact CB-CG2 4.49Å; I423-V562 WeakPolarHBondContact O-CA 3.42Å; I425-V562 HydrophobicContact CD1-CG1 3.74Å; I425-V562 HydrophobicContact CG1-CG1 4.29Å; L437-V562 HydrophobicContact CD2-CG1 4.22Å; L533-V562 PolarHBondContact O-N 3.1Å; I534-V562 CarbonylContact C-O 3.54Å; I534-V562 VanDerWaalsContact CA-O 3.24Å; I534-V562 WeakPolarHBondContact CA-O 3.46Å; L535-V562 PolarHBondContact N-O 2.95Å
563	M	92.6	Very high	88	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.7	175.7	67.9	-174.9	80	0	0	110.5	I423 A424 I425 L535 I554 V561 T565 L570 T574 C576	I423-M563 PolarHBondContact O-N 3.04Å; A424-M563 CarbonylContact C-O 3.59Å; A424-M563 WeakPolarHBondContact CA-O 3.48Å; A424-M563 HydrophobicContact CB-CG 4.07Å; I425-M563 PolarHBondContact N-O 3.43Å; L535-M563 HydrophobicContact CB-CB 4.02Å; L535-M563 CarbonylContact O-C 3.52Å; L535-M563 WeakPolarHBondContact O-CA 3.4Å; I554-M563 HydrophobicContact CD1-CE 3.79Å; I554-M563 HydrophobicContact CG2-CE 3.91Å; V561-M563 HydrophobicContact CG1-CE 3.72Å; M563-T565 HydrophobicContact CG-CG2 3.95Å; M563-T565 HydrophobicContact SD-CG2 3.93Å; M563-L570 HydrophobicContact SD-CD2 3.82Å; M563-L570 HydrophobicContact SD-CG 3.93Å; M563-T574 HydrophobicContact CE-CG2 4.34Å; M563-C576 VanDerWaalsContact CE-SG 3.52Å
564	V	91.1	Very high	87.7	Confident	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.7	161.2	177.5	0	0	0	0	105.7	I425 K433 L437 L535 E537 P538	I425-V564 HydrophobicContact CB-CG2 4.01Å; I425-V564 HydrophobicContact CG2-CG2 4.35Å; I425-V564 WeakPolarHBondContact O-CA 3.34Å; K433-V564 HydrophobicContact CB-CG1 4.06Å; K433-V564 HydrophobicContact CB-CG2 4.34Å; K433-V564 HydrophobicContact CD-CG1 3.82Å; K433-V564 HydrophobicContact CG-CG1 4.38Å; L437-V564 HydrophobicContact CD1-CG2 3.68Å; L437-V564 HydrophobicContact CD2-CG2 4.24Å; L437-V564 HydrophobicContact CG-CG2 4.06Å; L535-V564 PolarHBondContact O-N 3.18Å; E537-V564 VanDerWaalsContact CA-O 3.24Å; E537-V564 WeakPolarHBondContact CA-O 3.49Å; E537-V564 HydrophobicContact CG-CG1 4.36Å; E537-V564 PolarHBondContact N-O 2.9Å; P538-V564 WeakPolarHBondContact CD-O 3.48Å
565	T	87.6	Confident	87.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.169	C	C	.	.			trans	-153.1	139.8	-179.8	177.5	0	0	0	0	110.5	I425 V426 E537 M563 D567 L570 I571	I425-T565 PolarHBondContact O-N 2.92Å; V426-T565 WeakPolarHBondContact CG1-O 3.42Å; E537-T565 WeakPolarHBondContact OE2-CA 3.49Å; M563-T565 HydrophobicContact CG-CG2 3.95Å; M563-T565 HydrophobicContact SD-CG2 3.93Å; T565-D567 WeakPolarHBondContact OG1-CB 3.33Å; T565-D567 PolarHBondContact OG1-N 3.05Å; T565-L570 HydrophobicContact CG2-CD2 4.28Å; T565-I571 HydrophobicContact CG2-CD1 3.99Å; T565-I571 HydrophobicContact CG2-CG1 3.55Å
566	H	82	Confident	86.9	Confident	22 Å²	22	35.1 Å²	35.1	10%	0.102	16%	0.159	C	C	.	.			trans	-92.3	-6.1	166.4	-72.6	-53.9	0	0	0	114	L251 L253 G427 K433 E537 E568	L251-H566 PolarHBondContact O-CD2 2.82Å; L253-H566 PolarHBondContact N-ND1 3.34Å; G427-H566 PolarHBondContact O-CE1 3.26Å; K433-H566 PolarHBondContact NZ-CE1 2.77Å; K433-H566 VanDerWaalsContact NZ-CE1 3.35Å; K433-H566 PolarHBondContact NZ-NE2 3.03Å; E537-H566 IonicContact OE1-CD2 3.83Å; E537-H566 PolarHBondContact OE1-CD2 2.86Å; E537-H566 IonicContact OE1-CG 2.93Å; E537-H566 IonicContact OE1-NE2 3.82Å; E537-H566 PolarHBondContact OE1-NE2 3.2Å; E537-H566 IonicContact OE2-CD2 2.69Å; E537-H566 PolarHBondContact OE2-N 3.12Å; E537-H566 VanDerWaalsContact OE2-N 3.11Å; H566-E568 PolarHBondContact O-N 3.12Å
567	D	84.4	Confident	86.8	Confident	16 Å²	16	33.5 Å²	33.5	9%	0.086	15%	0.152	C	C	.	.			trans	-77.5	109.2	-175.8	-167.6	-47.3	0	0	0	111.2	T539 T565 R569 L570 I571	T539-D567 HydrophobicContact CG2-CB 3.71Å; T565-D567 WeakPolarHBondContact OG1-CB 3.33Å; T565-D567 PolarHBondContact OG1-N 3.05Å; D567-R569 PolarHBondContact O-N 3.29Å; D567-R569 WeakPolarHBondContact OD1-CA 3.41Å; D567-R569 WeakPolarHBondContact OD1-CB 3.42Å; D567-R569 PolarHBondContact OD1-N 3.15Å; D567-L570 HydrophobicContact CB-CB 4.12Å; D567-L570 PolarHBondContact O-N 2.9Å; D567-L570 PolarHBondContact OD1-N 3.22Å; D567-L570 VanDerWaalsContact OD1-N 3.13Å; D567-I571 WeakPolarHBondContact O-CG1 3.34Å; D567-I571 PolarHBondContact O-N 3.08Å; D567-I571 VanDerWaalsContact O-N 3.16Å
568	E	81.1	Confident	86.8	Confident	13 Å²	13	34.1 Å²	34.1	6%	0.061	16%	0.155	C	C	.	.	H	α-helix	trans	-53.6	-35.4	176.2	171.7	172.6	149.8	0	0	112.2	H566 R572 F593 R597	H566-E568 PolarHBondContact O-N 3.12Å; E568-R572 WeakPolarHBondContact O-CB 2.94Å; E568-R572 VanDerWaalsContact O-CG 3.32Å; E568-R572 WeakPolarHBondContact O-CG 3.25Å; E568-R572 PolarHBondContact O-N 3.27Å; E568-R572 IonicContact OE1-CZ 2.81Å; E568-R572 IonicContact OE1-NE 2.76Å; E568-R572 IonicContact OE1-NH1 3.89Å; E568-R572 PolarHBondContact OE1-NH1 3.43Å; E568-R572 IonicContact OE1-NH2 3.4Å; E568-R572 PolarHBondContact OE1-NH2 3.49Å; E568-F593 HydrophobicContact CB-CD1 4.27Å; E568-F593 HydrophobicContact CB-CE1 3.54Å; E568-F593 HydrophobicContact CB-CZ 3.75Å; E568-F593 HydrophobicContact CG-CD1 3.69Å; E568-F593 HydrophobicContact CG-CE1 3.36Å; E568-F593 HydrophobicContact CG-CZ 4.09Å; E568-F593 WeakPolarHBondContact OE2-CE1 3.34Å; E568-R597 IonicContact OE1-NH1 2.99Å; E568-R597 IonicContact OE2-CZ 3.99Å; E568-R597 IonicContact OE2-NH1 3.92Å; E568-R597 PolarHBondContact OE2-NH1 2.94Å
569	R	81.3	Confident	86.9	Confident	23 Å²	23	28 Å²	28	9%	0.087	13%	0.128	C	C	.	.	H	α-helix	trans	-74	-46.9	-176.6	-172	-174.4	-176.7	-165.8	-1.7	111.4	Q277 D548 D567 I571 R572 E573	Q277-R569 VanDerWaalsContact CD-NH1 3.31Å; Q277-R569 VanDerWaalsContact NE2-CZ 3.27Å; D548-R569 IonicContact OD1-CZ 2.83Å; D548-R569 IonicContact OD1-NE 3.49Å; D548-R569 IonicContact OD1-NH1 3.62Å; D548-R569 PolarHBondContact OD1-NH1 2.74Å; D548-R569 IonicContact OD1-NH2 3.75Å; D548-R569 PolarHBondContact OD1-NH2 3.19Å; D548-R569 IonicContact OD2-CZ 3.77Å; D548-R569 IonicContact OD2-NH1 3.62Å; D548-R569 IonicContact OD2-NH2 2.81Å; D548-R569 PolarHBondContact OD2-NH2 2.79Å; D567-R569 PolarHBondContact O-N 3.29Å; D567-R569 WeakPolarHBondContact OD1-CA 3.41Å; D567-R569 WeakPolarHBondContact OD1-CB 3.42Å; D567-R569 PolarHBondContact OD1-N 3.15Å; R569-I571 PolarHBondContact O-N 3.4Å; R569-R572 PolarHBondContact O-N 3.37Å; R569-E573 HydrophobicContact CG-CG 4.15Å; R569-E573 WeakPolarHBondContact CG-OE1 3.24Å; R569-E573 IonicContact CZ-OE1 3.75Å; R569-E573 IonicContact NE-OE1 3.75Å; R569-E573 PolarHBondContact NE-OE1 3.44Å; R569-E573 IonicContact NE-OE2 2.83Å; R569-E573 IonicContact NH2-OE1 3.42Å; R569-E573 PolarHBondContact NH2-OE1 3.43Å; R569-E573 WeakPolarHBondContact O-CB 3.26Å; R569-E573 WeakPolarHBondContact O-CG 3.42Å; R569-E573 PolarHBondContact O-N 3.02Å
570	L	86.4	Confident	86.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-40.4	176.7	-174.2	63.4	0	0	0	110	P538 T539 L550 A551 I554 M563 T565 D567 T574	P538-L570 HydrophobicContact CG-CD2 3.91Å; T539-L570 HydrophobicContact CG2-CB 4.37Å; T539-L570 HydrophobicContact CG2-CD2 3.85Å; L550-L570 HydrophobicContact CG-CD1 4.37Å; A551-L570 HydrophobicContact CB-CD1 3.97Å; I554-L570 HydrophobicContact CD1-CD1 4.1Å; M563-L570 HydrophobicContact SD-CD2 3.82Å; M563-L570 HydrophobicContact SD-CG 3.93Å; T565-L570 HydrophobicContact CG2-CD2 4.28Å; D567-L570 HydrophobicContact CB-CB 4.12Å; D567-L570 PolarHBondContact O-N 2.9Å; D567-L570 PolarHBondContact OD1-N 3.22Å; D567-L570 VanDerWaalsContact OD1-N 3.13Å; L570-T574 HydrophobicContact CD1-CG2 4.07Å; L570-T574 VanDerWaalsContact O-CB 3.3Å; L570-T574 WeakPolarHBondContact O-CB 3.44Å; L570-T574 VanDerWaalsContact O-CG2 3.25Å; L570-T574 WeakPolarHBondContact O-CG2 3.38Å; L570-T574 PolarHBondContact O-N 2.78Å; L570-T574 VanDerWaalsContact O-N 3.07Å; L570-T574 PolarHBondContact O-OG1 2.98Å
571	I	86.4	Confident	86.8	Confident	10 Å²	10	28.2 Å²	28.2	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-38.2	177.8	-63.1	166.3	0	0	0	112	A424 V426 T565 D567 R569 L578 F593	A424-I571 HydrophobicContact CB-CG1 4.2Å; V426-I571 HydrophobicContact CG1-CD1 3.82Å; T565-I571 HydrophobicContact CG2-CD1 3.99Å; T565-I571 HydrophobicContact CG2-CG1 3.55Å; D567-I571 WeakPolarHBondContact O-CG1 3.34Å; D567-I571 PolarHBondContact O-N 3.08Å; D567-I571 VanDerWaalsContact O-N 3.16Å; R569-I571 PolarHBondContact O-N 3.4Å; I571-L578 HydrophobicContact CD1-CD1 4.48Å; I571-L578 HydrophobicContact CG2-CD1 4.28Å; I571-F593 HydrophobicContact CB-CD2 4.38Å; I571-F593 HydrophobicContact CD1-CD2 3.83Å; I571-F593 HydrophobicContact CD1-CE2 3.55Å; I571-F593 HydrophobicContact CG2-CB 4.39Å; I571-F593 HydrophobicContact CG2-CD2 3.93Å; I571-F593 HydrophobicContact CG2-CG 4.46Å
572	R	85	Confident	86.2	Confident	117 Å²	117	30.7 Å²	30.7	44%	0.442	14%	0.14	S	C	.	.	H	α-helix	trans	-79.4	-37.5	-178.8	-81.1	-177.2	171.1	158.8	10.5	114	E568 R569 T574 D594	E568-R572 WeakPolarHBondContact O-CB 2.94Å; E568-R572 VanDerWaalsContact O-CG 3.32Å; E568-R572 WeakPolarHBondContact O-CG 3.25Å; E568-R572 PolarHBondContact O-N 3.27Å; E568-R572 IonicContact OE1-CZ 2.81Å; E568-R572 IonicContact OE1-NE 2.76Å; E568-R572 IonicContact OE1-NH1 3.89Å; E568-R572 PolarHBondContact OE1-NH1 3.43Å; E568-R572 IonicContact OE1-NH2 3.4Å; E568-R572 PolarHBondContact OE1-NH2 3.49Å; R569-R572 PolarHBondContact O-N 3.37Å; R572-T574 VanDerWaalsContact C-N 3.28Å; R572-D594 IonicContact CZ-OD1 2.68Å; R572-D594 IonicContact NE-OD1 3.8Å; R572-D594 IonicContact NH2-OD1 3.18Å; R572-D594 PolarHBondContact NH2-OD1 2.69Å
573	E	86	Confident	85.4	Confident	75 Å²	75	34.7 Å²	34.7	35%	0.35	16%	0.162	S	C	.	.	H	α-helix	trans	-75.8	-23.9	179.1	-70.6	-175.8	-175.7	0	0	111	A551 N555 R569	A551-E573 HydrophobicContact CB-CB 3.86Å; A551-E573 WeakPolarHBondContact CB-OE2 3.48Å; N555-E573 PolarHBondContact ND2-O 3.46Å; R569-E573 HydrophobicContact CG-CG 4.15Å; R569-E573 WeakPolarHBondContact CG-OE1 3.24Å; R569-E573 IonicContact CZ-OE1 3.75Å; R569-E573 IonicContact NE-OE1 3.75Å; R569-E573 PolarHBondContact NE-OE1 3.44Å; R569-E573 IonicContact NE-OE2 2.83Å; R569-E573 IonicContact NH2-OE1 3.42Å; R569-E573 PolarHBondContact NH2-OE1 3.43Å; R569-E573 WeakPolarHBondContact O-CB 3.26Å; R569-E573 WeakPolarHBondContact O-CG 3.42Å; R569-E573 PolarHBondContact O-N 3.02Å
574	T	84.3	Confident	84.8	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.031	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	136.1	171.9	62.7	0	0	0	0	110.9	A551 I554 N555 M563 L570 R572 C576	A551-T574 HydrophobicContact CB-CG2 4.41Å; I554-T574 HydrophobicContact CB-CG2 4.05Å; I554-T574 HydrophobicContact CD1-CG2 4.4Å; I554-T574 HydrophobicContact CG2-CG2 3.73Å; N555-T574 WeakPolarHBondContact OD1-CA 3.25Å; M563-T574 HydrophobicContact CE-CG2 4.34Å; L570-T574 HydrophobicContact CD1-CG2 4.07Å; L570-T574 VanDerWaalsContact O-CB 3.3Å; L570-T574 WeakPolarHBondContact O-CB 3.44Å; L570-T574 VanDerWaalsContact O-CG2 3.25Å; L570-T574 WeakPolarHBondContact O-CG2 3.38Å; L570-T574 PolarHBondContact O-N 2.78Å; L570-T574 VanDerWaalsContact O-N 3.07Å; L570-T574 PolarHBondContact O-OG1 2.98Å; R572-T574 VanDerWaalsContact C-N 3.28Å; T574-C576 PolarHBondContact O-N 3.5Å; T574-C576 PolarHBondContact OG1-SG 2.93Å; T574-C576 VanDerWaalsContact OG1-SG 3.37Å
575	E	77.9	Confident	84.4	Confident	173 Å²	173	37.4 Å²	37.4	81%	0.808	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	49.5	174.8	-64	-175.2	163.1	0	0	111.3
576	C	85.2	Confident	84.4	Confident	20 Å²	20	37.8 Å²	37.8	14%	0.135	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-86.2	142.5	-177.3	-76.1	0	0	0	0	112	A424 M563 T574	A424-C576 HydrophobicContact CB-CB 3.86Å; M563-C576 VanDerWaalsContact CE-SG 3.52Å; T574-C576 PolarHBondContact O-N 3.5Å; T574-C576 PolarHBondContact OG1-SG 2.93Å; T574-C576 VanDerWaalsContact OG1-SG 3.37Å
577	Q	88.6	Confident	84.6	Confident	91 Å²	91	37 Å²	37	43%	0.425	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.2	168	-63.3	-177.5	-51.1	0	0	110	R422 I423 A424	R422-Q577 PolarHBondContact O-N 3.14Å; I423-Q577 WeakPolarHBondContact CA-O 3.47Å; I423-Q577 HydrophobicContact CG1-CB 4.47Å; A424-Q577 PolarHBondContact N-O 3.06Å
578	L	89.2	Confident	84.7	Confident	13 Å²	13	39.4 Å²	39.4	7%	0.068	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.2	-178.4	-168.7	66.2	0	0	0	111.2	A424 V426 I571 I589 F593 Y596	A424-L578 HydrophobicContact CB-CD1 4.38Å; V426-L578 HydrophobicContact CB-CD1 4.31Å; V426-L578 HydrophobicContact CG1-CD1 3.64Å; V426-L578 HydrophobicContact CG2-CD1 3.68Å; V426-L578 HydrophobicContact CG2-CD2 4.43Å; V426-L578 HydrophobicContact CG2-CG 4.05Å; I571-L578 HydrophobicContact CD1-CD1 4.48Å; I571-L578 HydrophobicContact CG2-CD1 4.28Å; L578-I589 HydrophobicContact CB-CB 4.46Å; L578-I589 HydrophobicContact CD2-CB 4.37Å; L578-I589 HydrophobicContact CD2-CD1 3.77Å; L578-I589 HydrophobicContact CD2-CG2 4.45Å; L578-I589 HydrophobicContact CG-CB 4.47Å; L578-I589 HydrophobicContact CG-CD1 3.97Å; L578-I589 PolarHBondContact O-N 2.73Å; L578-F593 HydrophobicContact CD2-CD2 4.45Å; L578-Y596 HydrophobicContact CD2-CD1 4.22Å; L578-Y596 HydrophobicContact CD2-CG 4.18Å
579	W	91	Very high	84.8	Confident	11 Å²	11	39.5 Å²	39.5	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145	177	-74.8	56.3	0	0	0	109.5	F415 I423 A424 I425 V426 I586 A587 E588	F415-W579 HydrophobicContact CD2-CD2 4.5Å; F415-W579 AromaticContact CD2-CE3 3.73Å; F415-W579 HydrophobicContact CD2-CE3 3.73Å; F415-W579 AromaticContact CD2-CH2 3.91Å; F415-W579 HydrophobicContact CD2-CH2 3.91Å; F415-W579 AromaticContact CD2-CZ3 3.42Å; F415-W579 HydrophobicContact CD2-CZ3 3.42Å; F415-W579 VanDerWaalsContact CD2-CZ3 3.42Å; F415-W579 AromaticContact CE2-CD2 3.98Å; F415-W579 HydrophobicContact CE2-CD2 3.98Å; F415-W579 AromaticContact CE2-CE3 3.63Å; F415-W579 HydrophobicContact CE2-CE3 3.63Å; F415-W579 HydrophobicContact CE2-CH2 4.14Å; F415-W579 HydrophobicContact CE2-CZ2 4.44Å; F415-W579 AromaticContact CE2-CZ3 3.75Å; F415-W579 HydrophobicContact CE2-CZ3 3.75Å; I423-W579 HydrophobicContact CD1-CZ2 4.32Å; I423-W579 HydrophobicContact CG2-CB 3.92Å; I423-W579 HydrophobicContact CG2-CD2 4.34Å; I423-W579 HydrophobicContact CG2-CG 3.66Å; A424-W579 PolarHBondContact O-N 3.11Å; I425-W579 CarbonylContact C-O 3.53Å; I425-W579 WeakPolarHBondContact CA-O 3.47Å; I425-W579 HydrophobicContact CG1-CB 4.37Å; V426-W579 WeakPolarHBondContact CG2-O 3.45Å; V426-W579 PolarHBondContact N-O 3.33Å; W579-I586 HydrophobicContact CB-CD1 4.34Å; W579-I586 HydrophobicContact CB-CG1 4.47Å; W579-I586 HydrophobicContact CE3-CD1 3.74Å; W579-I586 HydrophobicContact CE3-CG1 3.81Å; W579-I586 HydrophobicContact CE3-CG2 4.26Å; W579-I586 HydrophobicContact CZ3-CG2 4.19Å; W579-A587 CarbonylContact C-O 3.58Å; W579-A587 WeakPolarHBondContact CA-O 3.35Å; W579-E588 HydrophobicContact CD2-CB 4.38Å; W579-E588 HydrophobicContact CZ2-CB 4.35Å
580	I	88.2	Confident	84.5	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.8	-179.9	-169.2	169.7	0	0	0	111.8	V426 E582 I586 A587 I589 Y596	V426-I580 HydrophobicContact CG2-CB 4.3Å; V426-I580 HydrophobicContact CG2-CG1 4.4Å; V426-I580 VanDerWaalsContact O-CA 3.29Å; V426-I580 WeakPolarHBondContact O-CA 3.47Å; I580-E582 HydrophobicContact CD1-CG 3.9Å; I580-E582 WeakPolarHBondContact CD1-OE1 3.19Å; I580-E582 HydrophobicContact CG1-CG 3.93Å; I580-I586 VanDerWaalsContact O-CA 3.32Å; I580-I586 WeakPolarHBondContact O-CA 3.37Å; I580-I586 WeakPolarHBondContact O-CG1 3.48Å; I580-A587 HydrophobicContact CG2-CB 4.45Å; I580-A587 PolarHBondContact N-O 3.27Å; I580-A587 PolarHBondContact O-N 3.09Å; I580-I589 HydrophobicContact CB-CD1 3.68Å; I580-I589 HydrophobicContact CB-CG1 4.08Å; I580-I589 HydrophobicContact CD1-CD1 4.24Å; I580-I589 HydrophobicContact CG2-CD1 3.85Å; I580-I589 HydrophobicContact CG2-CG1 3.73Å; I580-Y596 HydrophobicContact CD1-CD2 4.4Å; I580-Y596 HydrophobicContact CD1-CE2 3.42Å; I580-Y596 VanDerWaalsContact CD1-CE2 3.42Å
581	I	87.5	Confident	83.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.4	169.7	-61.8	174.6	0	0	0	108.6	F410 I425 V426 V431 K433 F436 N585 I586	F410-I581 HydrophobicContact CE1-CG2 3.76Å; F410-I581 HydrophobicContact CZ-CG2 4.37Å; I425-I581 HydrophobicContact CG2-CD1 3.57Å; I425-I581 HydrophobicContact CG2-CG1 3.78Å; V426-I581 PolarHBondContact O-N 2.81Å; V426-I581 VanDerWaalsContact O-N 3.07Å; V431-I581 HydrophobicContact CB-CG2 4.43Å; V431-I581 HydrophobicContact CG1-CB 4.03Å; V431-I581 HydrophobicContact CG1-CG2 3.76Å; V431-I581 HydrophobicContact CG2-CG2 3.99Å; V431-I581 WeakPolarHBondContact CG2-O 3.38Å; K433-I581 HydrophobicContact CG-CD1 4.23Å; F436-I581 HydrophobicContact CB-CD1 3.89Å; F436-I581 HydrophobicContact CD1-CD1 4.1Å; F436-I581 HydrophobicContact CD2-CD1 4.28Å; F436-I581 HydrophobicContact CG-CD1 3.84Å; I581-N585 WeakPolarHBondContact CA-O 3.43Å; I581-I586 HydrophobicContact CD1-CD1 4.22Å; I581-I586 HydrophobicContact CD1-CG1 4.49Å; I581-I586 HydrophobicContact CG1-CB 4.08Å; I581-I586 HydrophobicContact CG1-CD1 3.83Å; I581-I586 HydrophobicContact CG1-CG1 3.59Å
582	E	81	Confident	83.2	Confident	52 Å²	52	48.2 Å²	48.2	24%	0.243	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150.5	177.9	-80.6	179.1	177.1	0	0	110.2	R9 I580 G584 N585	R9-E582 IonicContact CZ-OE2 2.71Å; R9-E582 IonicContact NE-OE2 3.83Å; R9-E582 IonicContact NH2-OE1 3.87Å; R9-E582 PolarHBondContact NH2-OE1 3.49Å; R9-E582 IonicContact NH2-OE2 2.86Å; R9-E582 PolarHBondContact NH2-OE2 3.2Å; I580-E582 HydrophobicContact CD1-CG 3.9Å; I580-E582 WeakPolarHBondContact CD1-OE1 3.19Å; I580-E582 HydrophobicContact CG1-CG 3.93Å; E582-G584 PolarHBondContact O-N 2.9Å; E582-G584 VanDerWaalsContact O-N 3.08Å; E582-N585 PolarHBondContact N-O 2.88Å; E582-N585 VanDerWaalsContact N-O 3.08Å; E582-N585 PolarHBondContact O-N 3.14Å; E582-N585 VanDerWaalsContact O-O 3.05Å
583	D	77.5	Confident	82.8	Confident	85 Å²	85	42.8 Å²	42.8	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	36.8	175.2	-60.2	-18.7	0	0	0	114.6	K16 N26 N585	K16-D583 IonicContact NZ-OD2 2.81Å; K16-D583 PolarHBondContact NZ-OD2 3.44Å; N26-D583 PolarHBondContact ND2-OD1 2.92Å; D583-N585 VanDerWaalsContact C-N 3.26Å; D583-N585 PolarHBondContact O-N 3.3Å
584	G	78.8	Confident	82.2	Confident	8 Å²	8	41.4 Å²	41.4	8%	0.082	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	24.8	-178.8	0	0	0	0	0	115.8	L409 F410 N411 E582	L409-G584 WeakPolarHBondContact O-CA 3.16Å; F410-G584 WeakPolarHBondContact CA-O 3.44Å; N411-G584 PolarHBondContact N-O 3.48Å; E582-G584 PolarHBondContact O-N 2.9Å; E582-G584 VanDerWaalsContact O-N 3.08Å
585	N	82.7	Confident	81.8	Confident	48 Å²	48	44.7 Å²	44.7	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	162.6	169.8	-164.8	20.1	0	0	0	110.9	Q12 I581 E582 D583	Q12-N585 PolarHBondContact OE1-ND2 3.12Å; I581-N585 WeakPolarHBondContact CA-O 3.43Å; E582-N585 PolarHBondContact N-O 2.88Å; E582-N585 VanDerWaalsContact N-O 3.08Å; E582-N585 PolarHBondContact O-N 3.14Å; E582-N585 VanDerWaalsContact O-O 3.05Å; D583-N585 VanDerWaalsContact C-N 3.26Å; D583-N585 PolarHBondContact O-N 3.3Å
586	I	87.4	Confident	81.8	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133	167.3	-160.9	-179.5	0	0	0	109.3	V413 F415 I425 F436 W579 I580 I581	V413-I586 HydrophobicContact CG1-CB 4.46Å; V413-I586 HydrophobicContact CG1-CG2 3.49Å; V413-I586 VanDerWaalsContact CG1-CG2 3.49Å; F415-I586 HydrophobicContact CD2-CD1 4.14Å; F415-I586 HydrophobicContact CE2-CD1 4.12Å; I425-I586 HydrophobicContact CD1-CD1 4.18Å; I425-I586 HydrophobicContact CG1-CD1 4.49Å; F436-I586 HydrophobicContact CE1-CD1 3.96Å; F436-I586 HydrophobicContact CE2-CB 4.39Å; F436-I586 HydrophobicContact CE2-CD1 3.87Å; F436-I586 HydrophobicContact CE2-CG2 4.13Å; F436-I586 HydrophobicContact CZ-CD1 3.51Å; F436-I586 HydrophobicContact CZ-CG2 4.49Å; W579-I586 HydrophobicContact CB-CD1 4.34Å; W579-I586 HydrophobicContact CB-CG1 4.47Å; W579-I586 HydrophobicContact CE3-CD1 3.74Å; W579-I586 HydrophobicContact CE3-CG1 3.81Å; W579-I586 HydrophobicContact CE3-CG2 4.26Å; W579-I586 HydrophobicContact CZ3-CG2 4.19Å; I580-I586 VanDerWaalsContact O-CA 3.32Å; I580-I586 WeakPolarHBondContact O-CA 3.37Å; I580-I586 WeakPolarHBondContact O-CG1 3.48Å; I581-I586 HydrophobicContact CD1-CD1 4.22Å; I581-I586 HydrophobicContact CD1-CG1 4.49Å; I581-I586 HydrophobicContact CG1-CB 4.08Å; I581-I586 HydrophobicContact CG1-CD1 3.83Å; I581-I586 HydrophobicContact CG1-CG1 3.59Å
587	A	86.1	Confident	81.3	Confident	7 Å²	7	39.1 Å²	39.1	6%	0.058	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.1	178.7	0	0	0	0	0	110.6	R9 W579 I580	R9-A587 HydrophobicContact CB-CB 4.27Å; W579-A587 CarbonylContact C-O 3.58Å; W579-A587 WeakPolarHBondContact CA-O 3.35Å; I580-A587 HydrophobicContact CG2-CB 4.45Å; I580-A587 PolarHBondContact N-O 3.27Å; I580-A587 PolarHBondContact O-N 3.09Å
588	E	86.9	Confident	80.5	Confident	65 Å²	65	40.8 Å²	40.8	30%	0.304	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	150.6	165.5	-167.9	170.2	178.2	0	0	109.2	N8 W579	N8-E588 PolarHBondContact OD1-O 3.26Å; W579-E588 HydrophobicContact CD2-CB 4.38Å; W579-E588 HydrophobicContact CZ2-CB 4.35Å
589	I	83	Confident	79.7	Confident	15 Å²	15	42.7 Å²	42.7	8%	0.077	22%	0.219	C	C	.	.			trans	-102.9	124.1	172	-68.3	174	0	0	0	108.5	V426 L578 I580 G591 Y596	V426-I589 HydrophobicContact CG2-CD1 4.35Å; L578-I589 HydrophobicContact CB-CB 4.46Å; L578-I589 HydrophobicContact CD2-CB 4.37Å; L578-I589 HydrophobicContact CD2-CD1 3.77Å; L578-I589 HydrophobicContact CD2-CG2 4.45Å; L578-I589 HydrophobicContact CG-CB 4.47Å; L578-I589 HydrophobicContact CG-CD1 3.97Å; L578-I589 PolarHBondContact O-N 2.73Å; I580-I589 HydrophobicContact CB-CD1 3.68Å; I580-I589 HydrophobicContact CB-CG1 4.08Å; I580-I589 HydrophobicContact CD1-CD1 4.24Å; I580-I589 HydrophobicContact CG2-CD1 3.85Å; I580-I589 HydrophobicContact CG2-CG1 3.73Å; I589-G591 PolarHBondContact O-N 3.43Å; I589-G591 VanDerWaalsContact O-N 3.17Å; I589-Y596 HydrophobicContact CD1-CD2 3.69Å; I589-Y596 HydrophobicContact CD1-CE2 4.1Å; I589-Y596 HydrophobicContact CD1-CG 4.09Å
590	D	75.4	Confident	78.9	Confident	92 Å²	92	42.4 Å²	42.4	49%	0.492	22%	0.218	S	C	.	.	S	Bend	trans	-79.3	96.8	166.1	-79.2	-10.3	0	0	0	108.8	N8	N8-D590 WeakPolarHBondContact ND2-CB 3.26Å; N8-D590 PolarHBondContact ND2-N 3.39Å; N8-D590 PolarHBondContact ND2-OD1 3.26Å; N8-D590 PolarHBondContact ND2-OD2 2.91Å
591	G	72	Confident	77.9	Confident	39 Å²	39	46.2 Å²	46.2	40%	0.402	24%	0.238	S	C	.	.	S	Bend	trans	155.7	174.7	174.6	0	0	0	0	0	112.1	I589	I589-G591 PolarHBondContact O-N 3.43Å; I589-G591 VanDerWaalsContact O-N 3.17Å
592	D	74.1	Confident	77	Confident	86 Å²	86	52.9 Å²	52.9	46%	0.46	27%	0.269	S	S	.	.			trans	-84.5	169.2	168.2	-164.3	4.2	0	0	0	109.7	D594 D595 Y596	D592-D594 PolarHBondContact O-N 3.39Å; D592-D594 VanDerWaalsContact O-N 3.13Å; D592-D595 PolarHBondContact O-N 3.14Å; D592-Y596 PolarHBondContact O-N 2.89Å
593	F	76.2	Confident	76.2	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-55.1	-31.8	176.7	-174	-92.8	0	0	0	112.7	L253 E568 I571 L578 D595 Y596 R597	L253-F593 HydrophobicContact CD1-CZ 3.87Å; L253-F593 HydrophobicContact CD2-CE1 4.45Å; L253-F593 HydrophobicContact CD2-CE2 3.77Å; L253-F593 HydrophobicContact CD2-CZ 3.47Å; L253-F593 VanDerWaalsContact CD2-CZ 3.47Å; L253-F593 HydrophobicContact CG-CZ 4.33Å; E568-F593 HydrophobicContact CB-CD1 4.27Å; E568-F593 HydrophobicContact CB-CE1 3.54Å; E568-F593 HydrophobicContact CB-CZ 3.75Å; E568-F593 HydrophobicContact CG-CD1 3.69Å; E568-F593 HydrophobicContact CG-CE1 3.36Å; E568-F593 HydrophobicContact CG-CZ 4.09Å; E568-F593 WeakPolarHBondContact OE2-CE1 3.34Å; I571-F593 HydrophobicContact CB-CD2 4.38Å; I571-F593 HydrophobicContact CD1-CD2 3.83Å; I571-F593 HydrophobicContact CD1-CE2 3.55Å; I571-F593 HydrophobicContact CG2-CB 4.39Å; I571-F593 HydrophobicContact CG2-CD2 3.93Å; I571-F593 HydrophobicContact CG2-CG 4.46Å; L578-F593 HydrophobicContact CD2-CD2 4.45Å; F593-D595 VanDerWaalsContact C-N 3.31Å; F593-D595 PolarHBondContact O-N 3.16Å; F593-Y596 HydrophobicContact CD2-CD1 4.44Å; F593-Y596 HydrophobicContact CE2-CD1 4.31Å; F593-Y596 WeakPolarHBondContact O-CB 3.38Å; F593-Y596 PolarHBondContact O-N 3.2Å; F593-R597 HydrophobicContact CE1-CB 4.41Å; F593-R597 WeakPolarHBondContact O-CB 3.4Å; F593-R597 PolarHBondContact O-N 3.46Å
594	D	74.2	Confident	75.2	Confident	46 Å²	46	53.6 Å²	53.6	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-38.8	175.8	-72.7	-13.8	0	0	0	112.9	R572 D592 R598 K711	R572-D594 IonicContact CZ-OD1 2.68Å; R572-D594 IonicContact NE-OD1 3.8Å; R572-D594 IonicContact NH2-OD1 3.18Å; R572-D594 PolarHBondContact NH2-OD1 2.69Å; D592-D594 PolarHBondContact O-N 3.39Å; D592-D594 VanDerWaalsContact O-N 3.13Å; D594-R598 WeakPolarHBondContact O-CB 3.42Å; D594-R598 PolarHBondContact O-N 3.2Å; D594-K711 IonicContact OD2-NZ 3.51Å
595	D	75.7	Confident	73.6	Confident	75 Å²	75	55.9 Å²	55.9	40%	0.401	31%	0.309	S	S	.	.	H	α-helix	trans	-70.7	-38.9	179.3	-68.2	-31.7	0	0	0	110.4	D592 F593 R598 E599	D592-D595 PolarHBondContact O-N 3.14Å; F593-D595 VanDerWaalsContact C-N 3.31Å; F593-D595 PolarHBondContact O-N 3.16Å; D595-R598 PolarHBondContact O-N 3.03Å; D595-R598 IonicContact OD1-NH2 3.72Å; D595-R598 PolarHBondContact OD1-NH2 3.02Å; D595-E599 WeakPolarHBondContact O-CB 3.33Å; D595-E599 PolarHBondContact O-N 3.27Å
596	Y	76.8	Confident	71.4	Confident	3 Å²	3	57.1 Å²	57.1	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-62.5	-49.8	173	178.7	-123.6	0	0	0	111.6	L253 V426 L578 I580 I589 D592 F593 R598 E599 L600	L253-Y596 HydrophobicContact CD2-CD1 3.88Å; L253-Y596 HydrophobicContact CD2-CE1 3.52Å; V426-Y596 HydrophobicContact CB-CE1 4.03Å; V426-Y596 HydrophobicContact CG2-CD1 4.23Å; V426-Y596 HydrophobicContact CG2-CE1 3.59Å; L578-Y596 HydrophobicContact CD2-CD1 4.22Å; L578-Y596 HydrophobicContact CD2-CG 4.18Å; I580-Y596 HydrophobicContact CD1-CD2 4.4Å; I580-Y596 HydrophobicContact CD1-CE2 3.42Å; I580-Y596 VanDerWaalsContact CD1-CE2 3.42Å; I589-Y596 HydrophobicContact CD1-CD2 3.69Å; I589-Y596 HydrophobicContact CD1-CE2 4.1Å; I589-Y596 HydrophobicContact CD1-CG 4.09Å; D592-Y596 PolarHBondContact O-N 2.89Å; F593-Y596 HydrophobicContact CD2-CD1 4.44Å; F593-Y596 HydrophobicContact CE2-CD1 4.31Å; F593-Y596 WeakPolarHBondContact O-CB 3.38Å; F593-Y596 PolarHBondContact O-N 3.2Å; Y596-R598 VanDerWaalsContact C-N 3.29Å; Y596-R598 PolarHBondContact O-N 2.94Å; Y596-E599 PolarHBondContact O-N 3.5Å; Y596-L600 HydrophobicContact CD1-CD1 4.01Å; Y596-L600 HydrophobicContact CD2-CD1 4.38Å; Y596-L600 HydrophobicContact CD2-CG 4.21Å; Y596-L600 HydrophobicContact CE1-CD1 3.53Å; Y596-L600 HydrophobicContact CE1-CG 4.35Å; Y596-L600 HydrophobicContact CE2-CD1 3.89Å; Y596-L600 HydrophobicContact CE2-CD2 3.85Å; Y596-L600 HydrophobicContact CE2-CG 3.82Å; Y596-L600 HydrophobicContact CG-CD1 4.43Å; Y596-L600 VanDerWaalsContact CZ-CD1 3.47Å; Y596-L600 WeakPolarHBondContact O-CG 3.46Å; Y596-L600 PolarHBondContact O-N 2.85Å
597	R	75.3	Confident	69.2	Low	73 Å²	73	61.5 Å²	61.5	28%	0.275	36%	0.355	S	S	.	.	H	α-helix	trans	-58.5	-40.2	178.1	-175.8	173.9	177.4	176.4	-2.8	112.1	I257 D260 E568 F593 L600 L601	I257-R597 HydrophobicContact CD1-CG 3.91Å; D260-R597 IonicContact OD2-NH2 2.64Å; E568-R597 IonicContact OE1-NH1 2.99Å; E568-R597 IonicContact OE2-CZ 3.99Å; E568-R597 IonicContact OE2-NH1 3.92Å; E568-R597 PolarHBondContact OE2-NH1 2.94Å; F593-R597 HydrophobicContact CE1-CB 4.41Å; F593-R597 WeakPolarHBondContact O-CB 3.4Å; F593-R597 PolarHBondContact O-N 3.46Å; R597-L600 PolarHBondContact O-N 2.67Å; R597-L601 WeakPolarHBondContact O-CB 3.48Å; R597-L601 PolarHBondContact O-N 2.91Å
598	R	71.9	Confident	66.8	Low	125 Å²	125	66.1 Å²	66.1	47%	0.472	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-45.2	177.1	-163.8	-163.1	-35.8	-85.4	-5.8	111.8	D594 D595 Y596 L600 L601 E602	D594-R598 WeakPolarHBondContact O-CB 3.42Å; D594-R598 PolarHBondContact O-N 3.2Å; D595-R598 PolarHBondContact O-N 3.03Å; D595-R598 IonicContact OD1-NH2 3.72Å; D595-R598 PolarHBondContact OD1-NH2 3.02Å; Y596-R598 VanDerWaalsContact C-N 3.29Å; Y596-R598 PolarHBondContact O-N 2.94Å; R598-L600 VanDerWaalsContact C-N 3.28Å; R598-L600 PolarHBondContact O-N 2.81Å; R598-L601 PolarHBondContact O-N 2.8Å; R598-L601 VanDerWaalsContact O-N 3.16Å; R598-E602 WeakPolarHBondContact O-CG 3.23Å; R598-E602 PolarHBondContact O-N 3.26Å
599	E	72.9	Confident	63.9	Low	53 Å²	53	72.4 Å²	72.4	25%	0.248	41%	0.411	C	S	.	.	H	α-helix	trans	-60.5	-39.9	176.9	-174.7	177.4	-171	0	0	111.3	R9 R13 D595 Y596 E602 S603	R9-E599 IonicContact CZ-OE1 2.86Å; R9-E599 IonicContact CZ-OE2 3.63Å; R9-E599 VanDerWaalsContact NH1-CD 3.33Å; R9-E599 IonicContact NH1-OE1 2.89Å; R9-E599 PolarHBondContact NH1-OE1 3.05Å; R9-E599 IonicContact NH1-OE2 3.48Å; R9-E599 PolarHBondContact NH1-OE2 3.11Å; R13-E599 IonicContact CZ-OE1 3.34Å; R13-E599 IonicContact NH1-OE1 2.8Å; R13-E599 PolarHBondContact NH1-OE1 3.02Å; D595-E599 WeakPolarHBondContact O-CB 3.33Å; D595-E599 PolarHBondContact O-N 3.27Å; Y596-E599 PolarHBondContact O-N 3.5Å; E599-E602 PolarHBondContact O-N 3.11Å; E599-S603 PolarHBondContact O-N 3.19Å; E599-S603 PolarHBondContact O-OG 3.25Å
600	L	72.5	Confident	61.3	Low	5 Å²	5	75.8 Å²	75.8	3%	0.026	44%	0.441	C	S	.	.	H	α-helix	trans	-65.5	-42.3	173.4	-68	179.6	0	0	0	112.2	L253 N254 I257 Y596 R597 R598 E602 S603 C604	L253-L600 HydrophobicContact CD2-CD1 3.72Å; L253-L600 HydrophobicContact CG-CD1 4.18Å; N254-L600 VanDerWaalsContact OD1-CD1 3.3Å; N254-L600 WeakPolarHBondContact OD1-CD1 3.3Å; N254-L600 VanDerWaalsContact OD1-CD2 3.29Å; N254-L600 WeakPolarHBondContact OD1-CD2 3.42Å; I257-L600 HydrophobicContact CD1-CB 4.48Å; I257-L600 HydrophobicContact CD1-CD1 4.37Å; Y596-L600 HydrophobicContact CD1-CD1 4.01Å; Y596-L600 HydrophobicContact CD2-CD1 4.38Å; Y596-L600 HydrophobicContact CD2-CG 4.21Å; Y596-L600 HydrophobicContact CE1-CD1 3.53Å; Y596-L600 HydrophobicContact CE1-CG 4.35Å; Y596-L600 HydrophobicContact CE2-CD1 3.89Å; Y596-L600 HydrophobicContact CE2-CD2 3.85Å; Y596-L600 HydrophobicContact CE2-CG 3.82Å; Y596-L600 HydrophobicContact CG-CD1 4.43Å; Y596-L600 VanDerWaalsContact CZ-CD1 3.47Å; Y596-L600 WeakPolarHBondContact O-CG 3.46Å; Y596-L600 PolarHBondContact O-N 2.85Å; R597-L600 PolarHBondContact O-N 2.67Å; R598-L600 VanDerWaalsContact C-N 3.28Å; R598-L600 PolarHBondContact O-N 2.81Å; L600-E602 VanDerWaalsContact C-N 3.28Å; L600-E602 PolarHBondContact O-N 2.91Å; L600-S603 WeakPolarHBondContact CA-OG 3.27Å; L600-S603 PolarHBondContact O-N 2.69Å; L600-S603 PolarHBondContact O-OG 2.92Å; L600-C604 WeakPolarHBondContact O-CB 3.29Å; L600-C604 PolarHBondContact O-N 3.29Å; L600-C604 PolarHBondContact O-SG 3.07Å
601	L	68	Low	59	Low	83 Å²	83	80.9 Å²	80.9	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-64.1	-37.1	177.8	-167.4	71.6	0	0	0	111.6	I257 R597 R598 G605	I257-L601 HydrophobicContact CG2-CD1 3.76Å; R597-L601 WeakPolarHBondContact O-CB 3.48Å; R597-L601 PolarHBondContact O-N 2.91Å; R598-L601 PolarHBondContact O-N 2.8Å; R598-L601 VanDerWaalsContact O-N 3.16Å; L601-G605 PolarHBondContact O-N 2.96Å
602	E	68.9	Low	56.8	Low	141 Å²	141	87.9 Å²	87.9	66%	0.659	48%	0.481	S	S	*	.	H	α-helix	trans	-68.1	-40.9	175.2	-73.8	174.1	-168	0	0	112	R598 E599 L600 G605	R598-E602 WeakPolarHBondContact O-CG 3.23Å; R598-E602 PolarHBondContact O-N 3.26Å; E599-E602 PolarHBondContact O-N 3.11Å; L600-E602 VanDerWaalsContact C-N 3.28Å; L600-E602 PolarHBondContact O-N 2.91Å; E602-G605 PolarHBondContact O-N 3.48Å
603	S	63.2	Low	54.5	Low	90 Å²	90	90.9 Å²	90.9	63%	0.629	49%	0.492	S	S	*	.	H	α-helix	trans	-69.5	-34.6	176.5	70.5	0	0	0	0	112.4	E599 L600 G605	E599-S603 PolarHBondContact O-N 3.19Å; E599-S603 PolarHBondContact O-OG 3.25Å; L600-S603 WeakPolarHBondContact CA-OG 3.27Å; L600-S603 PolarHBondContact O-N 2.69Å; L600-S603 PolarHBondContact O-OG 2.92Å; S603-G605 PolarHBondContact O-N 3.49Å
604	C	56.7	Low	52.2	Low	62 Å²	62	95.3 Å²	95.3	42%	0.419	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.8	172.6	-69.6	0	0	0	0	113.9	L600 G606	L600-C604 WeakPolarHBondContact O-CB 3.29Å; L600-C604 PolarHBondContact O-N 3.29Å; L600-C604 PolarHBondContact O-SG 3.07Å; C604-G606 PolarHBondContact O-N 3.49Å
605	G	45.7	Very low	50.1	Low	56 Å²	56	101.6 Å²	101.6	58%	0.577	55%	0.554	S	S	*	*			trans	-59	18.7	-168	0	0	0	0	0	118.8	L601 E602 S603 M607	L601-G605 PolarHBondContact O-N 2.96Å; E602-G605 PolarHBondContact O-N 3.48Å; S603-G605 PolarHBondContact O-N 3.49Å; G605-M607 PolarHBondContact O-N 3.27Å
606	G	37.6	Very low	47.7	Very low	74 Å²	74	103.9 Å²	103.9	76%	0.763	58%	0.576	S	S	*	*			trans	-75.4	10.6	167.2	0	0	0	0	0	115.3	C604 P608	C604-G606 PolarHBondContact O-N 3.49Å; G606-P608 WeakPolarHBondContact O-CD 3.45Å
607	M	40.2	Very low	45.4	Very low	99 Å²	99	106.4 Å²	106.4	49%	0.488	60%	0.603	S	S	.	*			trans	-76.9	122.1	171.5	-80	-150.6	-81.2	0	0	110.7	N261 G605 K609	N261-M607 HydrophobicContact CB-CE 3.61Å; G605-M607 PolarHBondContact O-N 3.27Å; M607-K609 PolarHBondContact O-N 3.29Å; M607-K609 VanDerWaalsContact O-N 3.1Å
608	P	34.7	Very low	43.1	Very low	105 Å²	105	108.7 Å²	108.7	68%	0.682	63%	0.627	S	S	*	*			trans	-65.5	119.2	172.8	25.8	-29.5	0	0	0	107.9	G606 A610	G606-P608 WeakPolarHBondContact O-CD 3.45Å; P608-A610 PolarHBondContact O-N 3.17Å
609	K	26.8	Very low	40.9	Very low	196 Å²	196	108.6 Å²	108.6	85%	0.852	65%	0.646	S	S	*	*			trans	-44.5	119.9	150.6	-72.8	-179.6	177.4	177.2	0	105.3	M607 K611	M607-K609 PolarHBondContact O-N 3.29Å; M607-K609 VanDerWaalsContact O-N 3.1Å; K609-K611 PolarHBondContact O-N 3.41Å
610	A	29.4	Very low	38.7	Very low	86 Å²	86	112.3 Å²	112.3	71%	0.711	67%	0.672	S	S	*	*			trans	-40.7	117.4	171.3	0	0	0	0	0	106.2	P608 Q612	P608-A610 PolarHBondContact O-N 3.17Å; A610-Q612 PolarHBondContact O-N 3.4Å
611	K	25.8	Very low	36.5	Very low	199 Å²	199	115.4 Å²	115.4	87%	0.865	71%	0.705	S	S	*	*			trans	-49.4	99.7	179.5	-84.3	175	173.4	176.3	0	105.5	K609 E613	K609-K611 PolarHBondContact O-N 3.41Å; K611-E613 PolarHBondContact O-N 2.82Å
612	Q	26.3	Very low	34.5	Very low	186 Å²	186	119.2 Å²	119.2	87%	0.869	73%	0.726	S	S	*	*			trans	-68.3	90.4	162.1	-78.6	-178.5	-2.6	0	0	101.7	A610 A614	A610-Q612 PolarHBondContact O-N 3.4Å; Q612-A614 PolarHBondContact O-N 3.47Å
613	E	26.6	Very low	32.6	Very low	150 Å²	150	122.1 Å²	122.1	70%	0.701	74%	0.736	S	S	*	*			trans	-44.6	112.7	162.7	-70.8	-179.9	164.8	0	0	105.3	K611 K615	K611-E613 PolarHBondContact O-N 2.82Å; E613-K615 PolarHBondContact O-N 2.96Å
614	A	26.2	Very low	30.8	Very low	95 Å²	95	127.2 Å²	127.2	79%	0.785	75%	0.747	S	S	*	*			trans	-64.5	78.2	175.7	0	0	0	0	0	107.3	Q612 S616	Q612-A614 PolarHBondContact O-N 3.47Å; A614-S616 PolarHBondContact O-N 3.25Å
615	K	30.1	Very low	29.5	Very low	178 Å²	178	129.7 Å²	129.7	77%	0.774	77%	0.765	S	S	*	*			trans	-74.5	86.8	162	-72.1	-171.3	-179.4	178.4	0	105.5	E613 G617	E613-K615 PolarHBondContact O-N 2.96Å; K615-G617 PolarHBondContact O-N 3.16Å
616	S	26.1	Very low	28.7	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	78%	0.782	S	S	*	*			trans	-60.2	70.7	159.9	43.7	0	0	0	0	109.4	A614	A614-S616 PolarHBondContact O-N 3.25Å
617	G	28.5	Very low	28.4	Very low	56 Å²	56	136.6 Å²	136.6	58%	0.577	78%	0.776	S	S	*	*			trans	-93.7	135.8	163.6	0	0	0	0	0	108.9	K615	K615-G617 PolarHBondContact O-N 3.16Å
618	P	27.8	Very low	28.5	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	80%	0.797	S	S	*	*			trans	-68.3	143.3	-166.4	28.1	-32.7	0	0	0	111.5	T620	P618-T620 PolarHBondContact O-N 3.32Å
619	S	24.2	Very low	29.7	Very low	122 Å²	122	133.8 Å²	133.8	85%	0.853	79%	0.791	S	S	*	*			trans	-54.8	98	178.1	46	0	0	0	0	111.6	G621	S619-G621 PolarHBondContact O-N 3.4Å
620	T	27.1	Very low	32.1	Very low	132 Å²	132	128.2 Å²	128.2	81%	0.81	77%	0.774	S	S	*	*			trans	-68.7	112.1	165.8	46.8	0	0	0	0	108.2	P618 D622	P618-T620 PolarHBondContact O-N 3.32Å; T620-D622 PolarHBondContact O-N 3.29Å
621	G	26.6	Very low	34.9	Very low	69 Å²	69	125.1 Å²	125.1	71%	0.711	75%	0.748	S	S	*	*			trans	-50.6	130.7	-175.1	0	0	0	0	0	113.7	S619 K623	S619-G621 PolarHBondContact O-N 3.4Å; G621-K623 PolarHBondContact O-N 3.38Å
622	D	27.2	Very low	38	Very low	163 Å²	163	115.7 Å²	115.7	87%	0.872	71%	0.707	S	S	*	*			trans	-52.4	104.7	172.2	-79.4	-44.4	0	0	0	111.3	T620 K624	T620-D622 PolarHBondContact O-N 3.29Å; D622-K624 VanDerWaalsContact C-N 3.32Å; D622-K624 PolarHBondContact O-N 3.04Å
623	K	27.4	Very low	41.1	Very low	202 Å²	202	109 Å²	109	88%	0.878	68%	0.676	S	S	*	*			trans	-69.9	93.6	159.1	-87.3	179.7	175.6	173.4	0	108	G621 S625	G621-K623 PolarHBondContact O-N 3.38Å; K623-S625 PolarHBondContact O-N 3.38Å
624	K	27	Very low	44.1	Very low	197 Å²	197	101.9 Å²	101.9	86%	0.857	64%	0.642	S	S	*	*			trans	-44.3	103.1	165.9	-78.6	175.6	172.9	173.4	0	110.9	D622 K626	D622-K624 VanDerWaalsContact C-N 3.32Å; D622-K624 PolarHBondContact O-N 3.04Å; K624-K626 PolarHBondContact O-N 2.93Å
625	S	29.2	Very low	47.2	Very low	114 Å²	114	98.5 Å²	98.5	80%	0.797	61%	0.609	S	S	*	*			trans	-74.9	119.8	165.8	60.1	0	0	0	0	108.6	K623 G627	K623-S625 PolarHBondContact O-N 3.38Å; S625-G627 PolarHBondContact O-N 2.66Å
626	K	29	Very low	50.1	Low	213 Å²	213	90.5 Å²	90.5	93%	0.926	58%	0.575	S	S	*	*			trans	-75.7	59.7	178.9	-75.3	179.8	172.3	174.8	0	111.6	K624 G628	K624-K626 PolarHBondContact O-N 2.93Å; K626-G628 PolarHBondContact O-N 3.03Å
627	G	31.4	Very low	53.2	Low	63 Å²	63	84.7 Å²	84.7	65%	0.649	53%	0.534	S	S	*	.			trans	-73.6	118.7	163.8	0	0	0	0	0	108.7	S625 G629	S625-G627 PolarHBondContact O-N 2.66Å; G627-G629 PolarHBondContact O-N 3.18Å
628	G	42.1	Very low	56.3	Low	89 Å²	89	83 Å²	83	92%	0.918	51%	0.511	S	S	*	.			trans	-67.7	63.4	175.9	0	0	0	0	0	112.2	K626	K626-G628 PolarHBondContact O-N 3.03Å
629	G	58.9	Low	59.3	Low	55 Å²	55	77.2 Å²	77.2	57%	0.567	47%	0.474	S	S	*	.			trans	-73.5	131.4	-177.2	0	0	0	0	0	110.8	G627 A631	G627-G629 PolarHBondContact O-N 3.18Å; G629-A631 PolarHBondContact O-N 2.79Å
630	T	78.3	Confident	62.3	Low	79 Å²	79	74.5 Å²	74.5	49%	0.485	46%	0.455	S	S	.	.			trans	-55	126.2	167.3	40.6	0	0	0	0	109.8	K725	T630-K725 CarbonylContact C-O 3.5Å; T630-K725 VanDerWaalsContact CA-O 3.27Å; T630-K725 WeakPolarHBondContact CA-O 3.46Å
631	A	86.8	Confident	65.2	Low	21 Å²	21	74.9 Å²	74.9	17%	0.174	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.9	177	0	0	0	0	0	110.2	G629 W678 M679 K724 K725	G629-A631 PolarHBondContact O-N 2.79Å; A631-W678 HydrophobicContact CB-CE3 4.03Å; A631-M679 CarbonylContact C-O 3.5Å; A631-M679 WeakPolarHBondContact CA-O 3.36Å; A631-K724 CarbonylContact O-C 3.48Å; A631-K724 WeakPolarHBondContact O-CA 3.05Å; A631-K725 PolarHBondContact N-O 3.32Å; A631-K725 PolarHBondContact O-N 3.26Å
632	V	90.8	Very high	68.1	Low	1 Å²	1	75 Å²	75	1%	0.006	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.8	177.7	-64.9	0	0	0	0	109.7	V634 W678 M679 M684 A692 F693 V721 G723 K724	V632-V634 HydrophobicContact CB-CG2 4.25Å; V632-V634 HydrophobicContact CG2-CG2 3.55Å; V632-W678 WeakPolarHBondContact O-CA 3.33Å; V632-M679 PolarHBondContact N-O 2.79Å; V632-M679 PolarHBondContact O-N 3.5Å; V632-M684 HydrophobicContact CG2-CE 4.18Å; V632-A692 HydrophobicContact CG2-CB 4.46Å; V632-F693 HydrophobicContact CG1-CD1 3.8Å; V632-F693 HydrophobicContact CG1-CE1 3.62Å; V632-F693 HydrophobicContact CG1-CE2 4.49Å; V632-F693 HydrophobicContact CG1-CG 4.33Å; V632-F693 HydrophobicContact CG1-CZ 3.99Å; V632-F693 HydrophobicContact CG2-CD2 4.27Å; V632-F693 HydrophobicContact CG2-CE1 4.42Å; V632-F693 HydrophobicContact CG2-CE2 3.89Å; V632-F693 HydrophobicContact CG2-CZ 3.97Å; V632-V721 HydrophobicContact CB-CG1 4.31Å; V632-G723 CarbonylContact C-O 2.92Å; V632-G723 WeakPolarHBondContact CA-O 3.38Å; V632-K724 HydrophobicContact CB-CG 4.5Å; V632-K724 HydrophobicContact CG1-CB 4.23Å; V632-K724 HydrophobicContact CG1-CD 3.98Å; V632-K724 HydrophobicContact CG1-CG 3.7Å
633	K	91.1	Very high	70.9	Confident	47 Å²	47	70.7 Å²	70.7	20%	0.204	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.2	173.5	-163.9	-175.1	-179.7	-139.8	0	108.6	D675 G677 W678 V721 E722 G723	K633-D675 IonicContact NZ-OD2 3.56Å; K633-D675 PolarHBondContact NZ-OD2 3.43Å; K633-G677 WeakPolarHBondContact CA-O 3.11Å; K633-W678 HydrophobicContact CB-CD2 3.88Å; K633-W678 HydrophobicContact CB-CE3 4.04Å; K633-W678 HydrophobicContact CB-CG 4.44Å; K633-W678 HydrophobicContact CB-CH2 4.09Å; K633-W678 HydrophobicContact CB-CZ2 3.97Å; K633-W678 HydrophobicContact CB-CZ3 4.14Å; K633-W678 HydrophobicContact CD-CZ2 4.46Å; K633-W678 HydrophobicContact CG-CD2 4.38Å; K633-V721 WeakPolarHBondContact O-CA 3.46Å; K633-E722 HydrophobicContact CB-CB 4.39Å; K633-E722 HydrophobicContact CD-CB 4.23Å; K633-E722 HydrophobicContact CG-CB 4.47Å; K633-E722 IonicContact NZ-OE2 2.69Å; K633-E722 PolarHBondContact NZ-OE2 3.24Å; K633-E722 PolarHBondContact O-N 2.61Å; K633-G723 PolarHBondContact N-O 2.79Å
634	V	90.3	Very high	73.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.8	-168.4	-171.9	0	0	0	0	111	V632 L676 G677 M679 M684 F688 A692 I719	V632-V634 HydrophobicContact CB-CG2 4.25Å; V632-V634 HydrophobicContact CG2-CG2 3.55Å; V634-L676 HydrophobicContact CG1-CD1 4.41Å; V634-L676 WeakPolarHBondContact O-CB 3.44Å; V634-L676 PolarHBondContact O-N 2.99Å; V634-G677 PolarHBondContact N-O 3.26Å; V634-M679 HydrophobicContact CG2-CB 4.37Å; V634-M679 HydrophobicContact CG2-CG 4.42Å; V634-M684 HydrophobicContact CG2-SD 4.39Å; V634-F688 HydrophobicContact CG1-CE1 3.92Å; V634-F688 HydrophobicContact CG1-CZ 3.84Å; V634-A692 HydrophobicContact CG2-CB 4.2Å; V634-I719 HydrophobicContact CG1-CG2 3.63Å
635	R	91	Very high	76.7	Confident	24 Å²	24	54.9 Å²	54.9	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.3	159.2	-69.2	-170.8	178.1	-110	-4.7	110	F658 Q672 G673 G674 D675 M720 E722	R635-F658 HydrophobicContact CB-CD1 4.15Å; R635-F658 HydrophobicContact CB-CE1 3.79Å; R635-Q672 PolarHBondContact NH1-O 3.07Å; R635-G673 PolarHBondContact NH1-O 3.31Å; R635-G673 VanDerWaalsContact NH1-O 3.09Å; R635-G674 CarbonylContact C-O 3.52Å; R635-G674 WeakPolarHBondContact CA-O 3.14Å; R635-D675 HydrophobicContact CG-CB 4.28Å; R635-D675 IonicContact NH2-OD2 2.69Å; R635-M720 HydrophobicContact CB-CB 4.45Å; R635-M720 HydrophobicContact CB-CE 4.03Å; R635-M720 HydrophobicContact CG-CE 4.14Å; R635-M720 PolarHBondContact N-O 3.47Å; R635-M720 PolarHBondContact O-N 3.43Å; R635-M720 VanDerWaalsContact O-O 3.11Å; R635-E722 WeakPolarHBondContact CD-OE1 3.48Å; R635-E722 HydrophobicContact CG-CG 4.43Å; R635-E722 IonicContact CZ-OE1 3.89Å; R635-E722 VanDerWaalsContact NE-CD 3.31Å; R635-E722 IonicContact NE-OE1 2.88Å; R635-E722 PolarHBondContact NE-OE1 3.31Å; R635-E722 IonicContact NE-OE2 3.89Å; R635-E722 IonicContact NH2-OE1 3.35Å
636	H	91.6	Very high	79.7	Confident	10 Å²	10	53 Å²	53	5%	0.046	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	164.8	173	74.1	163.4	0	0	0	113.9	D668 G674 F688 H717 I718	H636-D668 IonicContact CD2-OD2 3.63Å; H636-D668 IonicContact CE1-OD2 2.7Å; H636-D668 PolarHBondContact CE1-OD2 2.71Å; H636-D668 IonicContact NE2-OD2 3.54Å; H636-D668 PolarHBondContact NE2-OD2 2.87Å; H636-G674 PolarHBondContact N-O 3.19Å; H636-G674 VanDerWaalsContact O-CA 3.3Å; H636-G674 WeakPolarHBondContact O-CA 3.31Å; H636-F688 HydrophobicContact CB-CE2 3.9Å; H636-F688 HydrophobicContact CB-CZ 3.93Å; H636-F688 AromaticContact ND1-CE2 3.5Å; H636-F688 WeakPolarHBondContact ND1-CE2 3.42Å; H636-F688 AromaticContact ND1-CZ 3.75Å; H636-H717 AromaticContact ND1-ND1 3.4Å; H636-H717 PolarHBondContact ND1-ND1 3.39Å; H636-I718 CarbonylContact C-O 3.38Å; H636-I718 WeakPolarHBondContact CA-O 3.26Å
637	I	91.6	Very high	82.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.2	167.6	-49.6	-176.8	0	0	0	106.9	L652 F658 V661 A662 H717 I718	I637-L652 HydrophobicContact CD1-CD1 4.17Å; I637-F658 HydrophobicContact CD1-CE1 4.22Å; I637-F658 HydrophobicContact CD1-CE2 4.2Å; I637-F658 HydrophobicContact CD1-CZ 4Å; I637-F658 HydrophobicContact CG1-CE1 3.78Å; I637-F658 HydrophobicContact CG1-CE2 4.34Å; I637-F658 HydrophobicContact CG1-CZ 3.66Å; I637-V661 HydrophobicContact CD1-CB 3.98Å; I637-V661 HydrophobicContact CD1-CG1 3.74Å; I637-A662 HydrophobicContact CD1-CB 4.13Å; I637-A662 HydrophobicContact CG1-CB 3.76Å; I637-H717 VanDerWaalsContact O-CA 3.31Å; I637-H717 WeakPolarHBondContact O-CA 3.42Å; I637-I718 HydrophobicContact CB-CB 4.16Å; I637-I718 HydrophobicContact CB-CD1 4.29Å; I637-I718 HydrophobicContact CD1-CD1 4.35Å; I637-I718 HydrophobicContact CG1-CB 4.46Å; I637-I718 PolarHBondContact N-O 3.07Å; I637-I718 PolarHBondContact O-N 2.99Å
638	L	92.5	Very high	85.3	Confident	21 Å²	21	44.4 Å²	44.4	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.7	176	177.8	54	0	0	0	110.9	S666 E667 D668 F714 H717	L638-S666 PolarHBondContact N-OG 3.15Å; L638-S666 WeakPolarHBondContact O-CA 3.38Å; L638-E667 PolarHBondContact O-N 3.32Å; L638-D668 HydrophobicContact CB-CB 4.45Å; L638-D668 HydrophobicContact CD2-CB 3.91Å; L638-F714 HydrophobicContact CD2-CB 4.49Å; L638-H717 VanDerWaalsContact CD1-CE1 3.41Å; L638-H717 WeakPolarHBondContact CD1-CE1 3.23Å
639	C	90.7	Very high	87.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.8	169.7	-60.5	0	0	0	0	110.4	K641 K644 A645 Y716	C639-K641 VanDerWaalsContact C-N 3.25Å; C639-K641 PolarHBondContact O-N 3.35Å; C639-K644 HydrophobicContact CB-CB 4.31Å; C639-K644 HydrophobicContact CB-CG 4.46Å; C639-A645 HydrophobicContact CB-CB 4.02Å; C639-Y716 PolarHBondContact N-O 3.3Å; C639-Y716 PolarHBondContact O-N 3.27Å
640	S	87.9	Confident	89.1	Confident	65 Å²	65	44.5 Å²	44.5	46%	0.455	23%	0.232	S	C	.	.	S	Bend	trans	-62.9	-30	174.1	50.8	0	0	0	0	113.4	E667	S640-E667 WeakPolarHBondContact CB-OE2 3.41Å; S640-E667 PolarHBondContact N-OE2 2.92Å; S640-E667 PolarHBondContact OG-OE1 3.47Å; S640-E667 PolarHBondContact OG-OE2 3.46Å
641	K	87.2	Confident	89.6	Confident	139 Å²	139	45.2 Å²	45.2	60%	0.604	23%	0.229	S	C	*	.	S	Bend	trans	-114.6	141.1	-178.4	-64.3	-175.2	179.3	-176.1	0	112.4	C639 S643 K644 A645	C639-K641 VanDerWaalsContact C-N 3.25Å; C639-K641 PolarHBondContact O-N 3.35Å; K641-S643 VanDerWaalsContact C-N 3.34Å; K641-S643 PolarHBondContact O-N 3.46Å; K641-K644 PolarHBondContact O-N 3.01Å; K641-A645 PolarHBondContact O-N 2.98Å; K641-A645 VanDerWaalsContact O-N 3.13Å
642	L	87.3	Confident	89.7	Confident	73 Å²	73	44.6 Å²	44.6	38%	0.382	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-37.7	177.5	-177.3	58.9	0	0	0	112.4	K644 A645 N646 Y716	L642-K644 VanDerWaalsContact C-N 3.34Å; L642-K644 PolarHBondContact O-N 3.4Å; L642-A645 WeakPolarHBondContact O-CB 3.23Å; L642-A645 PolarHBondContact O-N 2.86Å; L642-N646 VanDerWaalsContact O-CG 3.31Å; L642-N646 PolarHBondContact O-N 2.8Å; L642-Y716 HydrophobicContact CB-CD1 4.43Å; L642-Y716 HydrophobicContact CB-CD2 4.14Å; L642-Y716 HydrophobicContact CB-CE1 4.07Å; L642-Y716 HydrophobicContact CB-CE2 3.77Å; L642-Y716 HydrophobicContact CB-CG 4.45Å; L642-Y716 HydrophobicContact CD1-CD1 3.71Å; L642-Y716 HydrophobicContact CD1-CE1 3.77Å; L642-Y716 HydrophobicContact CD1-CG 4.22Å; L642-Y716 HydrophobicContact CD2-CE1 4.45Å; L642-Y716 HydrophobicContact CG-CE1 4.31Å
643	S	87	Confident	89.5	Confident	71 Å²	71	50.6 Å²	50.6	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-45.4	177.3	56.3	0	0	0	0	112.2	K641 N646 E647	K641-S643 VanDerWaalsContact C-N 3.34Å; K641-S643 PolarHBondContact O-N 3.46Å; S643-N646 PolarHBondContact O-N 3.17Å; S643-E647 PolarHBondContact O-N 3.02Å
644	K	87.9	Confident	89.3	Confident	67 Å²	67	52.3 Å²	52.3	29%	0.291	27%	0.271	S	S	.	.	H	α-helix	trans	-68.1	-35.2	177.9	-168.7	175	175.6	-176.2	0	112.2	C639 K641 L642 N646 E647 A648 Y665 E667	C639-K644 HydrophobicContact CB-CB 4.31Å; C639-K644 HydrophobicContact CB-CG 4.46Å; K641-K644 PolarHBondContact O-N 3.01Å; L642-K644 VanDerWaalsContact C-N 3.34Å; L642-K644 PolarHBondContact O-N 3.4Å; K644-N646 VanDerWaalsContact C-N 3.35Å; K644-E647 PolarHBondContact O-N 3.08Å; K644-A648 PolarHBondContact O-N 3.03Å; K644-Y665 HydrophobicContact CG-CD1 4.05Å; K644-E667 WeakPolarHBondContact CD-OE1 3.31Å; K644-E667 IonicContact NZ-OE1 3.83Å; K644-E667 PolarHBondContact NZ-OE1 3.41Å
645	A	89.1	Confident	89	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-40.6	172	0	0	0	0	0	111.5	C639 K641 L642 A648 M649 P709	C639-A645 HydrophobicContact CB-CB 4.02Å; K641-A645 PolarHBondContact O-N 2.98Å; K641-A645 VanDerWaalsContact O-N 3.13Å; L642-A645 WeakPolarHBondContact O-CB 3.23Å; L642-A645 PolarHBondContact O-N 2.86Å; A645-A648 WeakPolarHBondContact O-CB 3.48Å; A645-A648 PolarHBondContact O-N 3.13Å; A645-M649 VanDerWaalsContact O-CG 3.29Å; A645-M649 WeakPolarHBondContact O-CG 3.45Å; A645-M649 PolarHBondContact O-N 3.25Å; A645-P709 HydrophobicContact CB-CB 4.29Å; A645-P709 HydrophobicContact CB-CG 3.98Å
646	N	90.8	Very high	88.7	Confident	75 Å²	75	56.8 Å²	56.8	40%	0.401	32%	0.315	S	S	.	.	H	α-helix	trans	-66.2	-41	176.9	-70	-17.5	0	0	0	112	L642 S643 K644 A648 M649 E650	L642-N646 VanDerWaalsContact O-CG 3.31Å; L642-N646 PolarHBondContact O-N 2.8Å; S643-N646 PolarHBondContact O-N 3.17Å; K644-N646 VanDerWaalsContact C-N 3.35Å; N646-A648 VanDerWaalsContact C-N 3.32Å; N646-A648 PolarHBondContact O-N 3.28Å; N646-M649 WeakPolarHBondContact O-CB 3.32Å; N646-M649 PolarHBondContact O-N 3.35Å; N646-M649 VanDerWaalsContact O-N 3.15Å; N646-E650 PolarHBondContact O-N 3.28Å
647	E	90.5	Very high	88.4	Confident	96 Å²	96	61.1 Å²	61.1	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-41.2	172.3	-72.1	175.7	-162.9	0	0	112.3	S643 K644 M649 E650 K651 Y665	S643-E647 PolarHBondContact O-N 3.02Å; K644-E647 PolarHBondContact O-N 3.08Å; E647-M649 VanDerWaalsContact C-N 3.33Å; E647-E650 PolarHBondContact O-N 3.34Å; E647-K651 PolarHBondContact O-N 2.83Å; E647-Y665 HydrophobicContact CB-CE1 3.98Å
648	A	88.1	Confident	88.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-41.5	174.5	0	0	0	0	0	111.3	K644 A645 N646 K651 L652 V661 Y665 I718	K644-A648 PolarHBondContact O-N 3.03Å; A645-A648 WeakPolarHBondContact O-CB 3.48Å; A645-A648 PolarHBondContact O-N 3.13Å; N646-A648 VanDerWaalsContact C-N 3.32Å; N646-A648 PolarHBondContact O-N 3.28Å; A648-K651 PolarHBondContact O-N 2.97Å; A648-L652 WeakPolarHBondContact O-CG 3.3Å; A648-L652 PolarHBondContact O-N 3.42Å; A648-V661 HydrophobicContact CB-CG1 3.88Å; A648-Y665 HydrophobicContact CB-CD1 3.79Å; A648-Y665 HydrophobicContact CB-CD2 4.43Å; A648-Y665 HydrophobicContact CB-CE1 4.44Å; A648-Y665 HydrophobicContact CB-CG 3.79Å; A648-I718 HydrophobicContact CB-CD1 3.86Å
649	M	90.2	Very high	87.9	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-39.9	176.3	-72.9	-70.5	-77.6	0	0	112.7	A645 N646 E647 K651 L652 K653 Y705 T706 D707 P709 I718	A645-M649 VanDerWaalsContact O-CG 3.29Å; A645-M649 WeakPolarHBondContact O-CG 3.45Å; A645-M649 PolarHBondContact O-N 3.25Å; N646-M649 WeakPolarHBondContact O-CB 3.32Å; N646-M649 PolarHBondContact O-N 3.35Å; N646-M649 VanDerWaalsContact O-N 3.15Å; E647-M649 VanDerWaalsContact C-N 3.33Å; M649-K651 VanDerWaalsContact C-N 3.31Å; M649-K651 PolarHBondContact O-N 3.44Å; M649-L652 PolarHBondContact O-N 2.87Å; M649-L652 HydrophobicContact SD-CD1 4.21Å; M649-K653 WeakPolarHBondContact O-CB 3.44Å; M649-K653 WeakPolarHBondContact O-CG 3.41Å; M649-K653 PolarHBondContact O-N 3.4Å; M649-Y705 HydrophobicContact CE-CD2 3.78Å; M649-Y705 HydrophobicContact CE-CE2 3.51Å; M649-Y705 HydrophobicContact SD-CD2 3.7Å; M649-Y705 HydrophobicContact SD-CE2 3.63Å; M649-T706 WeakPolarHBondContact CE-O 3.37Å; M649-D707 HydrophobicContact CE-CB 3.45Å; M649-D707 VanDerWaalsContact CE-CB 3.45Å; M649-D707 WeakPolarHBondContact CE-OD1 3.35Å; M649-P709 HydrophobicContact CG-CG 4.06Å; M649-I718 HydrophobicContact CG-CD1 3.6Å; M649-I718 HydrophobicContact CG-CG1 4.07Å; M649-I718 HydrophobicContact SD-CB 4.36Å; M649-I718 HydrophobicContact SD-CD1 3.66Å; M649-I718 HydrophobicContact SD-CG1 3.77Å; M649-I718 HydrophobicContact SD-CG2 3.66Å
650	E	89.9	Confident	87.6	Confident	139 Å²	139	66.9 Å²	66.9	65%	0.65	36%	0.363	S	S	*	.	H	α-helix	trans	-61.1	-41	174.9	-75.6	-176.2	169.7	0	0	111.5	N646 E647 K653 A654	N646-E650 PolarHBondContact O-N 3.28Å; E647-E650 PolarHBondContact O-N 3.34Å; E650-K653 PolarHBondContact O-N 3.35Å; E650-A654 WeakPolarHBondContact O-CB 3.42Å; E650-A654 PolarHBondContact O-N 2.98Å
651	K	88.8	Confident	87.6	Confident	95 Å²	95	64 Å²	64	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-40.5	174.5	-74.4	-173.4	172.5	-179.7	0	112.7	E647 A648 M649 K653 A654 T656 V661 Y665	E647-K651 PolarHBondContact O-N 2.83Å; A648-K651 PolarHBondContact O-N 2.97Å; M649-K651 VanDerWaalsContact C-N 3.31Å; M649-K651 PolarHBondContact O-N 3.44Å; K651-K653 VanDerWaalsContact C-N 3.35Å; K651-A654 PolarHBondContact O-N 3.25Å; K651-T656 PolarHBondContact O-N 3.49Å; K651-T656 PolarHBondContact O-OG1 3.05Å; K651-V661 HydrophobicContact CB-CG1 4.44Å; K651-V661 HydrophobicContact CB-CG2 4.09Å; K651-Y665 HydrophobicContact CD-CE2 3.49Å; K651-Y665 VanDerWaalsContact CD-CE2 3.49Å; K651-Y665 WeakPolarHBondContact CD-OH 3.43Å; K651-Y665 WeakPolarHBondContact CE-OH 3.47Å; K651-Y665 PolarHBondContact NZ-OH 3.31Å
652	L	88.9	Confident	87.6	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-43.2	174.3	-69.4	172.1	0	0	0	111.4	I637 A648 M649 A654 G655 F658 V661 Y705 I718	I637-L652 HydrophobicContact CD1-CD1 4.17Å; A648-L652 WeakPolarHBondContact O-CG 3.3Å; A648-L652 PolarHBondContact O-N 3.42Å; M649-L652 PolarHBondContact O-N 2.87Å; M649-L652 HydrophobicContact SD-CD1 4.21Å; L652-A654 VanDerWaalsContact C-N 3.27Å; L652-A654 PolarHBondContact O-N 3.3Å; L652-G655 PolarHBondContact O-N 3.2Å; L652-F658 HydrophobicContact CD1-CD2 4.06Å; L652-F658 HydrophobicContact CD1-CE2 4.04Å; L652-F658 HydrophobicContact CD2-CB 4.2Å; L652-F658 HydrophobicContact CD2-CD2 3.73Å; L652-F658 HydrophobicContact CD2-CE2 4.49Å; L652-F658 HydrophobicContact CD2-CG 4.25Å; L652-V661 HydrophobicContact CD2-CB 3.94Å; L652-V661 HydrophobicContact CD2-CG1 4.41Å; L652-V661 HydrophobicContact CD2-CG2 3.66Å; L652-V661 HydrophobicContact CG-CB 4.31Å; L652-V661 HydrophobicContact CG-CG1 4.25Å; L652-V661 HydrophobicContact CG-CG2 4.09Å; L652-Y705 HydrophobicContact CB-CE1 3.98Å; L652-Y705 HydrophobicContact CB-CE2 4.31Å; L652-Y705 WeakPolarHBondContact CB-OH 3.31Å; L652-Y705 HydrophobicContact CD1-CD1 4.38Å; L652-Y705 HydrophobicContact CD1-CD2 4.3Å; L652-Y705 HydrophobicContact CD1-CE1 4.3Å; L652-Y705 HydrophobicContact CD1-CE2 4.23Å; L652-Y705 HydrophobicContact CD1-CG 4.37Å; L652-I718 HydrophobicContact CD1-CD1 4.33Å; L652-I718 HydrophobicContact CD1-CG2 3.91Å
653	K	87	Confident	87.5	Confident	127 Å²	127	58.3 Å²	58.3	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-64.1	-31.3	176	-72.9	175.5	-177.9	180	0	112.7	M649 E650 K651 G655 D707	M649-K653 WeakPolarHBondContact O-CB 3.44Å; M649-K653 WeakPolarHBondContact O-CG 3.41Å; M649-K653 PolarHBondContact O-N 3.4Å; E650-K653 PolarHBondContact O-N 3.35Å; K651-K653 VanDerWaalsContact C-N 3.35Å; K653-G655 PolarHBondContact O-N 3.22Å; K653-D707 WeakPolarHBondContact CE-OD2 3.43Å; K653-D707 IonicContact NZ-OD1 2.75Å; K653-D707 IonicContact NZ-OD2 3.69Å; K653-D707 PolarHBondContact NZ-OD2 2.88Å
654	A	87.2	Confident	87.4	Confident	84 Å²	84	58.4 Å²	58.4	69%	0.694	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-1.4	173.2	0	0	0	0	0	113.9	E650 K651 L652	E650-A654 WeakPolarHBondContact O-CB 3.42Å; E650-A654 PolarHBondContact O-N 2.98Å; K651-A654 PolarHBondContact O-N 3.25Å; L652-A654 VanDerWaalsContact C-N 3.27Å; L652-A654 PolarHBondContact O-N 3.3Å
655	G	82.9	Confident	87.4	Confident	67 Å²	67	56.7 Å²	56.7	69%	0.691	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	13.1	175.7	0	0	0	0	0	114.8	L652 K653	L652-G655 PolarHBondContact O-N 3.2Å; K653-G655 PolarHBondContact O-N 3.22Å
656	T	85.7	Confident	87.4	Confident	51 Å²	51	57.5 Å²	57.5	31%	0.313	33%	0.329	S	S	.	.			trans	-71.8	146.4	172.5	59.6	0	0	0	0	111.1	K651 V661	K651-T656 PolarHBondContact O-N 3.49Å; K651-T656 PolarHBondContact O-OG1 3.05Å; T656-V661 WeakPolarHBondContact OG1-CG2 2.97Å
657	K	85	Confident	87.1	Confident	101 Å²	101	57.6 Å²	57.6	44%	0.439	33%	0.328	S	S	.	.			trans	-65.4	138.9	-177.1	-70.7	179.6	178.5	175.4	0	110.8	S659 E660 V661	K657-S659 VanDerWaalsContact C-N 3.26Å; K657-S659 PolarHBondContact O-N 3.17Å; K657-E660 HydrophobicContact CB-CB 4.42Å; K657-E660 HydrophobicContact CB-CG 4.14Å; K657-E660 WeakPolarHBondContact O-CB 3.45Å; K657-E660 PolarHBondContact O-N 2.75Å; K657-V661 PolarHBondContact O-N 2.69Å; K657-V661 VanDerWaalsContact O-N 3.13Å
658	F	87.7	Confident	86.5	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-54.7	-42.5	-178.6	-166.2	-82	0	0	0	112.6	R635 I637 L652 E660 V661 A662 P703 Y705 I718 M720	R635-F658 HydrophobicContact CB-CD1 4.15Å; R635-F658 HydrophobicContact CB-CE1 3.79Å; I637-F658 HydrophobicContact CD1-CE1 4.22Å; I637-F658 HydrophobicContact CD1-CE2 4.2Å; I637-F658 HydrophobicContact CD1-CZ 4Å; I637-F658 HydrophobicContact CG1-CE1 3.78Å; I637-F658 HydrophobicContact CG1-CE2 4.34Å; I637-F658 HydrophobicContact CG1-CZ 3.66Å; L652-F658 HydrophobicContact CD1-CD2 4.06Å; L652-F658 HydrophobicContact CD1-CE2 4.04Å; L652-F658 HydrophobicContact CD2-CB 4.2Å; L652-F658 HydrophobicContact CD2-CD2 3.73Å; L652-F658 HydrophobicContact CD2-CE2 4.49Å; L652-F658 HydrophobicContact CD2-CG 4.25Å; F658-E660 VanDerWaalsContact C-N 3.29Å; F658-E660 PolarHBondContact O-N 3.27Å; F658-V661 PolarHBondContact O-N 3.36Å; F658-A662 HydrophobicContact CD1-CB 4.45Å; F658-A662 HydrophobicContact CE1-CB 4.44Å; F658-A662 VanDerWaalsContact O-CB 3.25Å; F658-A662 WeakPolarHBondContact O-CB 3.3Å; F658-A662 PolarHBondContact O-N 2.9Å; F658-P703 HydrophobicContact CB-CB 4.28Å; F658-P703 HydrophobicContact CD2-CB 4.39Å; F658-Y705 HydrophobicContact CD2-CD1 4.42Å; F658-Y705 HydrophobicContact CE2-CG 4.48Å; F658-I718 HydrophobicContact CE2-CG2 3.94Å; F658-I718 HydrophobicContact CZ-CG2 4.35Å; F658-M720 HydrophobicContact CB-CE 4.16Å; F658-M720 HydrophobicContact CB-SD 4.13Å; F658-M720 HydrophobicContact CD1-CE 4.07Å; F658-M720 HydrophobicContact CD2-CB 4.2Å; F658-M720 HydrophobicContact CD2-SD 4.07Å; F658-M720 HydrophobicContact CE1-CB 4.32Å; F658-M720 HydrophobicContact CE2-CB 3.86Å; F658-M720 HydrophobicContact CG-CE 4.03Å; F658-M720 HydrophobicContact CG-SD 4Å; F658-M720 HydrophobicContact CZ-CB 3.91Å
659	S	85.2	Confident	85	Confident	31 Å²	31	64.9 Å²	64.9	22%	0.217	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-33.5	177.8	56.3	0	0	0	0	113.8	K657 S663 G673	K657-S659 VanDerWaalsContact C-N 3.26Å; K657-S659 PolarHBondContact O-N 3.17Å; S659-S663 WeakPolarHBondContact O-CB 3.43Å; S659-S663 PolarHBondContact O-N 3.45Å; S659-S663 VanDerWaalsContact O-N 3.08Å; S659-S663 PolarHBondContact O-OG 2.95Å; S659-G673 WeakPolarHBondContact O-CA 3.48Å
660	E	85.8	Confident	83.5	Confident	111 Å²	111	65.7 Å²	65.7	52%	0.519	37%	0.368	S	S	.	.	H	α-helix	trans	-74.3	-45.5	178.8	-69.2	174.3	-169.3	0	0	110.5	K657 F658 A662 S663 A664	K657-E660 HydrophobicContact CB-CB 4.42Å; K657-E660 HydrophobicContact CB-CG 4.14Å; K657-E660 WeakPolarHBondContact O-CB 3.45Å; K657-E660 PolarHBondContact O-N 2.75Å; F658-E660 VanDerWaalsContact C-N 3.29Å; F658-E660 PolarHBondContact O-N 3.27Å; E660-A662 PolarHBondContact O-N 3.01Å; E660-S663 PolarHBondContact O-N 3.35Å; E660-A664 PolarHBondContact O-N 2.93Å; E660-A664 VanDerWaalsContact O-N 3.13Å
661	V	88.2	Confident	81.9	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.024	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-44.6	175.5	-172.9	0	0	0	0	110.6	I637 A648 K651 L652 T656 K657 F658 S663 A664 Y665	I637-V661 HydrophobicContact CD1-CB 3.98Å; I637-V661 HydrophobicContact CD1-CG1 3.74Å; A648-V661 HydrophobicContact CB-CG1 3.88Å; K651-V661 HydrophobicContact CB-CG1 4.44Å; K651-V661 HydrophobicContact CB-CG2 4.09Å; L652-V661 HydrophobicContact CD2-CB 3.94Å; L652-V661 HydrophobicContact CD2-CG1 4.41Å; L652-V661 HydrophobicContact CD2-CG2 3.66Å; L652-V661 HydrophobicContact CG-CB 4.31Å; L652-V661 HydrophobicContact CG-CG1 4.25Å; L652-V661 HydrophobicContact CG-CG2 4.09Å; T656-V661 WeakPolarHBondContact OG1-CG2 2.97Å; K657-V661 PolarHBondContact O-N 2.69Å; K657-V661 VanDerWaalsContact O-N 3.13Å; F658-V661 PolarHBondContact O-N 3.36Å; V661-S663 VanDerWaalsContact C-N 3.3Å; V661-S663 PolarHBondContact O-N 2.96Å; V661-A664 PolarHBondContact O-N 3.04Å; V661-A664 VanDerWaalsContact O-N 3.11Å; V661-Y665 HydrophobicContact CG1-CD2 3.83Å; V661-Y665 HydrophobicContact CG1-CE2 4.5Å; V661-Y665 HydrophobicContact CG1-CG 4.34Å; V661-Y665 WeakPolarHBondContact O-CB 3.5Å; V661-Y665 WeakPolarHBondContact O-CD2 3.2Å; V661-Y665 PolarHBondContact O-N 3.16Å
662	A	87.3	Confident	80.9	Confident	2 Å²	2	72.5 Å²	72.5	2%	0.017	39%	0.392	C	S	.	.	H	α-helix	trans	-58.9	-42.5	177	0	0	0	0	0	111.9	I637 F658 E660 A664 S666 G673	I637-A662 HydrophobicContact CD1-CB 4.13Å; I637-A662 HydrophobicContact CG1-CB 3.76Å; F658-A662 HydrophobicContact CD1-CB 4.45Å; F658-A662 HydrophobicContact CE1-CB 4.44Å; F658-A662 VanDerWaalsContact O-CB 3.25Å; F658-A662 WeakPolarHBondContact O-CB 3.3Å; F658-A662 PolarHBondContact O-N 2.9Å; E660-A662 PolarHBondContact O-N 3.01Å; A662-A664 VanDerWaalsContact C-N 3.26Å; A662-A664 PolarHBondContact O-N 3.06Å; A662-S666 WeakPolarHBondContact O-CB 3.37Å; A662-S666 PolarHBondContact O-N 3.41Å; A662-G673 VanDerWaalsContact CB-O 3.28Å; A662-G673 WeakPolarHBondContact CB-O 3.44Å
663	S	85.1	Confident	80	Confident	90 Å²	90	72.3 Å²	72.3	63%	0.629	39%	0.392	S	S	*	.	H	α-helix	trans	-64.9	-30	177.9	-58.9	0	0	0	0	112.9	S659 E660 V661 G673	S659-S663 WeakPolarHBondContact O-CB 3.43Å; S659-S663 PolarHBondContact O-N 3.45Å; S659-S663 VanDerWaalsContact O-N 3.08Å; S659-S663 PolarHBondContact O-OG 2.95Å; E660-S663 PolarHBondContact O-N 3.35Å; V661-S663 VanDerWaalsContact C-N 3.3Å; V661-S663 PolarHBondContact O-N 2.96Å; S663-G673 WeakPolarHBondContact OG-CA 3.29Å
664	A	84.9	Confident	79.7	Confident	73 Å²	73	66.3 Å²	66.3	60%	0.603	37%	0.366	S	S	*	.	H	α-helix	trans	-89.6	-32.3	-179.6	0	0	0	0	0	114	E660 V661 A662	E660-A664 PolarHBondContact O-N 2.93Å; E660-A664 VanDerWaalsContact O-N 3.13Å; V661-A664 PolarHBondContact O-N 3.04Å; V661-A664 VanDerWaalsContact O-N 3.11Å; A662-A664 VanDerWaalsContact C-N 3.26Å; A662-A664 PolarHBondContact O-N 3.06Å
665	Y	88	Confident	79.6	Confident	31 Å²	31	63.8 Å²	63.8	12%	0.122	34%	0.341	C	S	.	.	H	α-helix	trans	-111.8	-23.8	-169.8	-76	-98.5	0	0	0	114.7	K644 E647 A648 K651 V661 E667	K644-Y665 HydrophobicContact CG-CD1 4.05Å; E647-Y665 HydrophobicContact CB-CE1 3.98Å; A648-Y665 HydrophobicContact CB-CD1 3.79Å; A648-Y665 HydrophobicContact CB-CD2 4.43Å; A648-Y665 HydrophobicContact CB-CE1 4.44Å; A648-Y665 HydrophobicContact CB-CG 3.79Å; K651-Y665 HydrophobicContact CD-CE2 3.49Å; K651-Y665 VanDerWaalsContact CD-CE2 3.49Å; K651-Y665 WeakPolarHBondContact CD-OH 3.43Å; K651-Y665 WeakPolarHBondContact CE-OH 3.47Å; K651-Y665 PolarHBondContact NZ-OH 3.31Å; V661-Y665 HydrophobicContact CG1-CD2 3.83Å; V661-Y665 HydrophobicContact CG1-CE2 4.5Å; V661-Y665 HydrophobicContact CG1-CG 4.34Å; V661-Y665 WeakPolarHBondContact O-CB 3.5Å; V661-Y665 WeakPolarHBondContact O-CD2 3.2Å; V661-Y665 PolarHBondContact O-N 3.16Å; Y665-E667 PolarHBondContact O-N 3.03Å
666	S	88.5	Confident	79.7	Confident	17 Å²	17	63.6 Å²	63.6	12%	0.119	32%	0.324	C	S	.	.			trans	-72.9	123.1	-175.9	-153.9	0	0	0	0	111.5	L638 A662 D668	L638-S666 PolarHBondContact N-OG 3.15Å; L638-S666 WeakPolarHBondContact O-CA 3.38Å; A662-S666 WeakPolarHBondContact O-CB 3.37Å; A662-S666 PolarHBondContact O-N 3.41Å; S666-D668 PolarHBondContact OG-OD1 2.86Å
667	E	84.4	Confident	79.8	Confident	78 Å²	78	62.2 Å²	62.2	36%	0.364	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.9	-173.9	-66.1	-176.4	164.8	0	0	113.7	L638 S640 K644 Y665 K669	L638-E667 PolarHBondContact O-N 3.32Å; S640-E667 WeakPolarHBondContact CB-OE2 3.41Å; S640-E667 PolarHBondContact N-OE2 2.92Å; S640-E667 PolarHBondContact OG-OE1 3.47Å; S640-E667 PolarHBondContact OG-OE2 3.46Å; K644-E667 WeakPolarHBondContact CD-OE1 3.31Å; K644-E667 IonicContact NZ-OE1 3.83Å; K644-E667 PolarHBondContact NZ-OE1 3.41Å; Y665-E667 PolarHBondContact O-N 3.03Å; E667-K669 PolarHBondContact O-N 3.46Å
668	D	77.1	Confident	80	Confident	61 Å²	61	63 Å²	63	33%	0.326	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	3	178.7	54.1	8.7	0	0	0	114.4	H636 L638 S666 A670	H636-D668 IonicContact CD2-OD2 3.63Å; H636-D668 IonicContact CE1-OD2 2.7Å; H636-D668 PolarHBondContact CE1-OD2 2.71Å; H636-D668 IonicContact NE2-OD2 3.54Å; H636-D668 PolarHBondContact NE2-OD2 2.87Å; L638-D668 HydrophobicContact CB-CB 4.45Å; L638-D668 HydrophobicContact CD2-CB 3.91Å; S666-D668 PolarHBondContact OG-OD1 2.86Å; D668-A670 PolarHBondContact O-N 2.9Å; D668-A670 VanDerWaalsContact OD1-CB 3.3Å; D668-A670 WeakPolarHBondContact OD1-CB 3.21Å; D668-A670 PolarHBondContact OD1-N 3.45Å
669	K	58.3	Low	79.9	Confident	187 Å²	187	65 Å²	65	81%	0.813	33%	0.329	S	S	*	.			trans	50.7	29.8	-175.8	-57.9	-178.9	179	178.3	0	111.9	E667 R671	E667-K669 PolarHBondContact O-N 3.46Å; K669-R671 PolarHBondContact O-N 2.99Å
670	A	57.6	Low	80.1	Confident	23 Å²	23	66.2 Å²	66.2	19%	0.19	34%	0.338	C	S	.	.			trans	-53.5	110.2	177.3	0	0	0	0	0	108.7	D668 G674	D668-A670 PolarHBondContact O-N 2.9Å; D668-A670 VanDerWaalsContact OD1-CB 3.3Å; D668-A670 WeakPolarHBondContact OD1-CB 3.21Å; D668-A670 PolarHBondContact OD1-N 3.45Å; A670-G674 PolarHBondContact O-N 3.33Å
671	R	56.9	Low	79.8	Confident	216 Å²	216	68.3 Å²	68.3	82%	0.815	34%	0.341	S	S	*	.	H	α-helix	trans	-53.2	149.1	-174.2	-68.7	176.2	175.7	173.9	-1.9	109.7	K669	K669-R671 PolarHBondContact O-N 2.99Å
672	Q	68.3	Low	79.3	Confident	161 Å²	161	71.3 Å²	71.3	75%	0.752	37%	0.373	S	S	*	.	H	α-helix	trans	64.5	38.7	172.9	-54.3	179.6	-5.4	0	0	115.7	R635 D675	R635-Q672 PolarHBondContact NH1-O 3.07Å; Q672-D675 HydrophobicContact CB-CB 4.46Å
673	G	69.8	Low	79	Confident	4 Å²	4	74.1 Å²	74.1	4%	0.041	39%	0.393	C	S	.	.	H	α-helix	trans	69.2	47.3	174.8	0	0	0	0	0	112.3	R635 S659 A662 S663	R635-G673 PolarHBondContact NH1-O 3.31Å; R635-G673 VanDerWaalsContact NH1-O 3.09Å; S659-G673 WeakPolarHBondContact O-CA 3.48Å; A662-G673 VanDerWaalsContact CB-O 3.28Å; A662-G673 WeakPolarHBondContact CB-O 3.44Å; S663-G673 WeakPolarHBondContact OG-CA 3.29Å
674	G	80.6	Confident	78.9	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	82.7	12	173.5	0	0	0	0	0	115.8	R635 H636 A670 L676	R635-G674 CarbonylContact C-O 3.52Å; R635-G674 WeakPolarHBondContact CA-O 3.14Å; H636-G674 PolarHBondContact N-O 3.19Å; H636-G674 VanDerWaalsContact O-CA 3.3Å; H636-G674 WeakPolarHBondContact O-CA 3.31Å; A670-G674 PolarHBondContact O-N 3.33Å; G674-L676 PolarHBondContact O-N 3.5Å
675	D	85.2	Confident	78.8	Confident	32 Å²	32	70 Å²	70	17%	0.171	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	111.3	-179.5	-163.7	-7.1	0	0	0	111.2	K633 R635 Q672 G677	K633-D675 IonicContact NZ-OD2 3.56Å; K633-D675 PolarHBondContact NZ-OD2 3.43Å; R635-D675 HydrophobicContact CG-CB 4.28Å; R635-D675 IonicContact NH2-OD2 2.69Å; Q672-D675 HydrophobicContact CB-CB 4.46Å; D675-G677 WeakPolarHBondContact OD1-CA 3.32Å; D675-G677 PolarHBondContact OD1-N 2.88Å
676	L	84.7	Confident	78.7	Confident	63 Å²	63	70.3 Å²	70.3	33%	0.33	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-8.6	173.4	-69.2	172.6	0	0	0	112.2	V634 G674 M679 F688	V634-L676 HydrophobicContact CG1-CD1 4.41Å; V634-L676 WeakPolarHBondContact O-CB 3.44Å; V634-L676 PolarHBondContact O-N 2.99Å; G674-L676 PolarHBondContact O-N 3.5Å; L676-M679 HydrophobicContact CB-CG 4.39Å; L676-F688 HydrophobicContact CD1-CE1 4.31Å; L676-F688 HydrophobicContact CD1-CZ 3.86Å
677	G	86.5	Confident	78.7	Confident	21 Å²	21	72.6 Å²	72.6	22%	0.216	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.1	-153.5	-173.6	0	0	0	0	0	112.9	K633 V634 D675	K633-G677 WeakPolarHBondContact CA-O 3.11Å; V634-G677 PolarHBondContact N-O 3.26Å; D675-G677 WeakPolarHBondContact OD1-CA 3.32Å; D675-G677 PolarHBondContact OD1-N 2.88Å
678	W	88.9	Confident	79	Confident	118 Å²	118	69.4 Å²	69.4	45%	0.447	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.8	-178.1	-71.1	93.1	0	0	0	111.2	A631 V632 K633 K725	A631-W678 HydrophobicContact CB-CE3 4.03Å; V632-W678 WeakPolarHBondContact O-CA 3.33Å; K633-W678 HydrophobicContact CB-CD2 3.88Å; K633-W678 HydrophobicContact CB-CE3 4.04Å; K633-W678 HydrophobicContact CB-CG 4.44Å; K633-W678 HydrophobicContact CB-CH2 4.09Å; K633-W678 HydrophobicContact CB-CZ2 3.97Å; K633-W678 HydrophobicContact CB-CZ3 4.14Å; K633-W678 HydrophobicContact CD-CZ2 4.46Å; K633-W678 HydrophobicContact CG-CD2 4.38Å; W678-K725 HydrophobicContact CH2-CB 4.12Å; W678-K725 HydrophobicContact CH2-CD 3.58Å; W678-K725 HydrophobicContact CH2-CG 3.5Å; W678-K725 VanDerWaalsContact CH2-CG 3.5Å; W678-K725 HydrophobicContact CZ2-CD 3.82Å; W678-K725 HydrophobicContact CZ2-CG 4.25Å; W678-K725 HydrophobicContact CZ3-CB 3.81Å; W678-K725 HydrophobicContact CZ3-CD 4.01Å; W678-K725 HydrophobicContact CZ3-CG 3.74Å
679	M	86.8	Confident	79.7	Confident	41 Å²	41	67.8 Å²	67.8	20%	0.202	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.1	179.4	-62.2	-66.7	-81.9	0	0	110	A631 V632 V634 L676 S683 M684	A631-M679 CarbonylContact C-O 3.5Å; A631-M679 WeakPolarHBondContact CA-O 3.36Å; V632-M679 PolarHBondContact N-O 2.79Å; V632-M679 PolarHBondContact O-N 3.5Å; V634-M679 HydrophobicContact CG2-CB 4.37Å; V634-M679 HydrophobicContact CG2-CG 4.42Å; L676-M679 HydrophobicContact CB-CG 4.39Å; M679-S683 WeakPolarHBondContact CE-OG 3.48Å; M679-M684 HydrophobicContact CB-CE 3.76Å; M679-M684 HydrophobicContact CB-CG 4.18Å; M679-M684 HydrophobicContact CB-SD 3.62Å; M679-M684 HydrophobicContact CE-CG 3.5Å; M679-M684 VanDerWaalsContact CE-CG 3.5Å; M679-M684 HydrophobicContact CE-SD 4.3Å; M679-M684 HydrophobicContact CG-CG 4.47Å; M679-M684 HydrophobicContact CG-SD 4.1Å
680	S	88.3	Confident	81.1	Confident	57 Å²	57	63.3 Å²	63.3	40%	0.399	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	161.5	175.1	55.5	0	0	0	0	111.2	G682 S683	S680-G682 PolarHBondContact O-N 2.91Å; S680-S683 PolarHBondContact N-OG 3.38Å; S680-S683 PolarHBondContact O-N 2.89Å; S680-S683 PolarHBondContact O-OG 3.41Å
681	R	80	Confident	82.7	Confident	156 Å²	156	63.1 Å²	63.1	59%	0.589	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	126.3	170.5	-143	172.6	-168.1	176.3	3.6	109.2	Q689 F693	R681-Q689 HydrophobicContact CG-CG 4.16Å; R681-F693 HydrophobicContact CB-CE2 4.15Å; R681-F693 HydrophobicContact CB-CZ 3.98Å; R681-F693 HydrophobicContact CG-CE2 4.01Å; R681-F693 HydrophobicContact CG-CZ 4.2Å
682	G	78	Confident	84.2	Confident	66 Å²	66	52.9 Å²	52.9	68%	0.68	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.8	-17.6	-175.2	0	0	0	0	0	115	S680 M684	S680-G682 PolarHBondContact O-N 2.91Å; G682-M684 VanDerWaalsContact C-N 3.34Å
683	S	81.7	Confident	85.2	Confident	62 Å²	62	46.9 Å²	46.9	43%	0.434	27%	0.273	S	S	.	.	S	Bend	trans	-89.4	2	177.7	70.2	0	0	0	0	114.1	M679 S680	M679-S683 WeakPolarHBondContact CE-OG 3.48Å; S680-S683 PolarHBondContact N-OG 3.38Å; S680-S683 PolarHBondContact O-N 2.89Å; S680-S683 PolarHBondContact O-OG 3.41Å
684	M	83.3	Confident	86.1	Confident	23 Å²	23	50.6 Å²	50.6	11%	0.113	30%	0.303	C	S	.	.	S	Bend	trans	-126.6	153.4	-174	-67.9	177.5	-71.6	0	0	111	V632 V634 M679 G682 F688 Q689 A692 F693	V632-M684 HydrophobicContact CG2-CE 4.18Å; V634-M684 HydrophobicContact CG2-SD 4.39Å; M679-M684 HydrophobicContact CB-CE 3.76Å; M679-M684 HydrophobicContact CB-CG 4.18Å; M679-M684 HydrophobicContact CB-SD 3.62Å; M679-M684 HydrophobicContact CE-CG 3.5Å; M679-M684 VanDerWaalsContact CE-CG 3.5Å; M679-M684 HydrophobicContact CE-SD 4.3Å; M679-M684 HydrophobicContact CG-CG 4.47Å; M679-M684 HydrophobicContact CG-SD 4.1Å; G682-M684 VanDerWaalsContact C-N 3.34Å; M684-F688 HydrophobicContact CB-CD1 4.09Å; M684-F688 HydrophobicContact CG-CD1 4.02Å; M684-F688 HydrophobicContact CG-CE1 4.28Å; M684-F688 HydrophobicContact SD-CD1 3.63Å; M684-F688 HydrophobicContact SD-CE1 3.61Å; M684-Q689 HydrophobicContact CB-CB 3.88Å; M684-Q689 HydrophobicContact CE-CB 4.43Å; M684-Q689 HydrophobicContact CE-CG 4.13Å; M684-A692 HydrophobicContact SD-CB 4.49Å; M684-F693 HydrophobicContact CE-CD2 4.18Å; M684-F693 HydrophobicContact CE-CE2 3.59Å
685	V	82.9	Confident	86.5	Confident	53 Å²	53	51.6 Å²	51.6	32%	0.321	31%	0.309	S	S	.	.			trans	-65.8	143	173.6	-168.7	0	0	0	0	109.8	F688 Q689 F714	V685-F688 WeakPolarHBondContact O-CB 3.3Å; V685-F688 PolarHBondContact O-N 2.9Å; V685-Q689 WeakPolarHBondContact O-CB 3.3Å; V685-Q689 PolarHBondContact O-N 3.08Å; V685-F714 HydrophobicContact CG2-CD2 4.05Å; V685-F714 HydrophobicContact CG2-CE2 3.54Å
686	G	84.8	Confident	86.6	Confident	37 Å²	37	53.2 Å²	53.2	38%	0.381	32%	0.321	S	S	.	.	H	α-helix	trans	-42.2	-62.7	-172.9	0	0	0	0	0	115.5	F688 Q689 D690	G686-F688 VanDerWaalsContact C-N 3.31Å; G686-F688 PolarHBondContact O-N 3.36Å; G686-Q689 WeakPolarHBondContact O-CB 3.44Å; G686-Q689 PolarHBondContact O-N 2.84Å; G686-Q689 VanDerWaalsContact O-N 3.16Å; G686-D690 PolarHBondContact O-N 3.4Å
687	P	88.5	Confident	86.7	Confident	66 Å²	66	54.9 Å²	54.9	43%	0.429	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-38.8	-179.4	-25.8	35.1	0	0	0	113.8	A691 V710 T712	P687-A691 WeakPolarHBondContact O-CB 3.33Å; P687-A691 PolarHBondContact O-N 3.23Å; P687-A691 VanDerWaalsContact O-N 3.15Å; P687-V710 HydrophobicContact CB-CG1 3.97Å; P687-T712 HydrophobicContact CB-CG2 4.49Å
688	F	91.6	Very high	86.7	Confident	11 Å²	11	54.5 Å²	54.5	5%	0.048	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-44.4	177.4	-172.2	-79.5	0	0	0	111.2	V634 H636 L676 M684 V685 G686 A692 T712 H717 I719	V634-F688 HydrophobicContact CG1-CE1 3.92Å; V634-F688 HydrophobicContact CG1-CZ 3.84Å; H636-F688 HydrophobicContact CB-CE2 3.9Å; H636-F688 HydrophobicContact CB-CZ 3.93Å; H636-F688 AromaticContact ND1-CE2 3.5Å; H636-F688 WeakPolarHBondContact ND1-CE2 3.42Å; H636-F688 AromaticContact ND1-CZ 3.75Å; L676-F688 HydrophobicContact CD1-CE1 4.31Å; L676-F688 HydrophobicContact CD1-CZ 3.86Å; M684-F688 HydrophobicContact CB-CD1 4.09Å; M684-F688 HydrophobicContact CG-CD1 4.02Å; M684-F688 HydrophobicContact CG-CE1 4.28Å; M684-F688 HydrophobicContact SD-CD1 3.63Å; M684-F688 HydrophobicContact SD-CE1 3.61Å; V685-F688 WeakPolarHBondContact O-CB 3.3Å; V685-F688 PolarHBondContact O-N 2.9Å; G686-F688 VanDerWaalsContact C-N 3.31Å; G686-F688 PolarHBondContact O-N 3.36Å; F688-A692 VanDerWaalsContact O-CB 3.31Å; F688-A692 WeakPolarHBondContact O-CB 3.47Å; F688-A692 PolarHBondContact O-N 3.4Å; F688-T712 HydrophobicContact CB-CG2 4.02Å; F688-H717 HydrophobicContact CD2-CB 3.88Å; F688-H717 AromaticContact CD2-CG 3.69Å; F688-H717 AromaticContact CD2-ND1 3.77Å; F688-H717 HydrophobicContact CE2-CB 3.91Å; F688-H717 AromaticContact CE2-CG 3.85Å; F688-H717 AromaticContact CE2-ND1 3.61Å; F688-I719 HydrophobicContact CB-CD1 4.33Å; F688-I719 HydrophobicContact CD1-CD1 4.18Å; F688-I719 HydrophobicContact CD2-CD1 3.37Å; F688-I719 HydrophobicContact CD2-CG1 3.91Å; F688-I719 HydrophobicContact CE1-CD1 4.34Å; F688-I719 HydrophobicContact CE2-CD1 3.55Å; F688-I719 HydrophobicContact CE2-CG1 3.57Å; F688-I719 HydrophobicContact CG-CD1 3.71Å; F688-I719 HydrophobicContact CZ-CD1 4.04Å; F688-I719 HydrophobicContact CZ-CG1 4.04Å; F688-I719 HydrophobicContact CZ-CG2 4.22Å
689	Q	90.7	Very high	86.3	Confident	27 Å²	27	51.5 Å²	51.5	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-50.4	177.7	-177.9	-178.1	-93.3	0	0	111.1	R681 M684 V685 G686 A691 A692 F693	R681-Q689 HydrophobicContact CG-CG 4.16Å; M684-Q689 HydrophobicContact CB-CB 3.88Å; M684-Q689 HydrophobicContact CE-CB 4.43Å; M684-Q689 HydrophobicContact CE-CG 4.13Å; V685-Q689 WeakPolarHBondContact O-CB 3.3Å; V685-Q689 PolarHBondContact O-N 3.08Å; G686-Q689 WeakPolarHBondContact O-CB 3.44Å; G686-Q689 PolarHBondContact O-N 2.84Å; G686-Q689 VanDerWaalsContact O-N 3.16Å; Q689-A691 VanDerWaalsContact C-N 3.3Å; Q689-A691 PolarHBondContact O-N 3.43Å; Q689-A692 PolarHBondContact O-N 3.35Å; Q689-F693 HydrophobicContact CG-CD2 3.85Å; Q689-F693 HydrophobicContact CG-CE2 4.05Å; Q689-F693 WeakPolarHBondContact O-CD2 3.37Å; Q689-F693 PolarHBondContact O-N 3.01Å
690	D	88.9	Confident	85.4	Confident	92 Å²	92	51.4 Å²	51.4	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-41.5	-175.7	-67.2	-21.9	0	0	0	110.8	G686 A694	G686-D690 PolarHBondContact O-N 3.4Å; D690-A694 VanDerWaalsContact O-CB 3.24Å; D690-A694 WeakPolarHBondContact O-CB 3.49Å; D690-A694 PolarHBondContact O-N 3.02Å
691	A	89.8	Confident	84.5	Confident	20 Å²	20	55 Å²	55	17%	0.165	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-47.3	174.1	0	0	0	0	0	112.8	P687 Q689 F693 A694 L695 T706 V710 I719	P687-A691 WeakPolarHBondContact O-CB 3.33Å; P687-A691 PolarHBondContact O-N 3.23Å; P687-A691 VanDerWaalsContact O-N 3.15Å; Q689-A691 VanDerWaalsContact C-N 3.3Å; Q689-A691 PolarHBondContact O-N 3.43Å; A691-F693 PolarHBondContact O-N 3.26Å; A691-A694 PolarHBondContact O-N 3.49Å; A691-L695 WeakPolarHBondContact O-CG 3.44Å; A691-L695 PolarHBondContact O-N 3.18Å; A691-L695 VanDerWaalsContact O-N 3.08Å; A691-T706 HydrophobicContact CB-CG2 4.05Å; A691-V710 HydrophobicContact CB-CG1 4.47Å; A691-V710 HydrophobicContact CB-CG2 3.66Å; A691-I719 HydrophobicContact CB-CD1 3.91Å
692	A	89.3	Confident	84.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-43.6	178.9	0	0	0	0	0	111.8	V632 V634 M684 F688 Q689 L695 I719 V721	V632-A692 HydrophobicContact CG2-CB 4.46Å; V634-A692 HydrophobicContact CG2-CB 4.2Å; M684-A692 HydrophobicContact SD-CB 4.49Å; F688-A692 VanDerWaalsContact O-CB 3.31Å; F688-A692 WeakPolarHBondContact O-CB 3.47Å; F688-A692 PolarHBondContact O-N 3.4Å; Q689-A692 PolarHBondContact O-N 3.35Å; A692-L695 PolarHBondContact O-N 2.87Å; A692-I719 HydrophobicContact CB-CG2 4.08Å; A692-V721 HydrophobicContact CB-CG2 4.5Å; A692-V721 VanDerWaalsContact O-CG2 3.27Å; A692-V721 WeakPolarHBondContact O-CG2 3.31Å
693	F	89.7	Confident	84.3	Confident	36 Å²	36	54 Å²	54	16%	0.158	32%	0.32	C	S	.	.	H	α-helix	trans	-73.4	-27.2	179.3	-83.8	-88.8	0	0	0	113.3	V632 R681 M684 Q689 A691 K724	V632-F693 HydrophobicContact CG1-CD1 3.8Å; V632-F693 HydrophobicContact CG1-CE1 3.62Å; V632-F693 HydrophobicContact CG1-CE2 4.49Å; V632-F693 HydrophobicContact CG1-CG 4.33Å; V632-F693 HydrophobicContact CG1-CZ 3.99Å; V632-F693 HydrophobicContact CG2-CD2 4.27Å; V632-F693 HydrophobicContact CG2-CE1 4.42Å; V632-F693 HydrophobicContact CG2-CE2 3.89Å; V632-F693 HydrophobicContact CG2-CZ 3.97Å; R681-F693 HydrophobicContact CB-CE2 4.15Å; R681-F693 HydrophobicContact CB-CZ 3.98Å; R681-F693 HydrophobicContact CG-CE2 4.01Å; R681-F693 HydrophobicContact CG-CZ 4.2Å; M684-F693 HydrophobicContact CE-CD2 4.18Å; M684-F693 HydrophobicContact CE-CE2 3.59Å; Q689-F693 HydrophobicContact CG-CD2 3.85Å; Q689-F693 HydrophobicContact CG-CE2 4.05Å; Q689-F693 WeakPolarHBondContact O-CD2 3.37Å; Q689-F693 PolarHBondContact O-N 3.01Å; A691-F693 PolarHBondContact O-N 3.26Å; F693-K724 PolarHBondContact O-NZ 3.01Å
694	A	88.5	Confident	84.5	Confident	81 Å²	81	55.9 Å²	55.9	67%	0.669	32%	0.322	S	S	*	.	H	α-helix	trans	-73.5	-28.4	175.2	0	0	0	0	0	113.2	D690 A691	D690-A694 VanDerWaalsContact O-CB 3.24Å; D690-A694 WeakPolarHBondContact O-CB 3.49Å; D690-A694 PolarHBondContact O-N 3.02Å; A691-A694 PolarHBondContact O-N 3.49Å
695	L	88.3	Confident	84.8	Confident	22 Å²	22	57 Å²	57	12%	0.115	33%	0.325	C	S	.	.	S	Bend	trans	-69.6	136.5	-177.1	-79.5	167.4	0	0	0	112.8	A691 A692 T706 I719 V721 K724	A691-L695 WeakPolarHBondContact O-CG 3.44Å; A691-L695 PolarHBondContact O-N 3.18Å; A691-L695 VanDerWaalsContact O-N 3.08Å; A692-L695 PolarHBondContact O-N 2.87Å; L695-T706 HydrophobicContact CD1-CG2 3.68Å; L695-T706 HydrophobicContact CD2-CG2 4.4Å; L695-T706 HydrophobicContact CG-CG2 4.26Å; L695-I719 HydrophobicContact CD1-CB 4.07Å; L695-I719 HydrophobicContact CD1-CG2 4.03Å; L695-I719 VanDerWaalsContact CD1-O 3.3Å; L695-I719 WeakPolarHBondContact CD1-O 3.35Å; L695-V721 HydrophobicContact CB-CB 4.49Å; L695-V721 HydrophobicContact CB-CG2 4.01Å; L695-V721 HydrophobicContact CD1-CG2 4.42Å; L695-K724 WeakPolarHBondContact O-CE 3.43Å; L695-K724 PolarHBondContact O-NZ 2.85Å
696	P	87.8	Confident	85.1	Confident	65 Å²	65	55.1 Å²	55.1	42%	0.422	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-62.6	158.9	168.2	27.4	-36.6	0	0	0	112.5	S698 Q704	P696-S698 PolarHBondContact O-N 3.39Å; P696-Q704 HydrophobicContact CG-CB 4.33Å
697	I	87.2	Confident	85.2	Confident	98 Å²	98	57.9 Å²	57.9	50%	0.503	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-70.2	130.7	173.1	-62.8	170.1	0	0	0	108.5	E722 K724	I697-E722 WeakPolarHBondContact CG2-O 3.39Å; I697-K724 HydrophobicContact CD1-CB 4.03Å; I697-K724 HydrophobicContact CD1-CG 3.92Å; I697-K724 HydrophobicContact CG1-CB 4.39Å; I697-K724 HydrophobicContact CG1-CD 4.34Å; I697-K724 HydrophobicContact CG1-CG 3.71Å
698	S	86.4	Confident	85.2	Confident	14 Å²	14	59.5 Å²	59.5	10%	0.098	33%	0.33	C	S	.	.			trans	-133.8	175.6	-179.5	64.1	0	0	0	0	111.1	P696 Q704 M720 V721 E722	P696-S698 PolarHBondContact O-N 3.39Å; S698-Q704 VanDerWaalsContact CB-N 3.28Å; S698-Q704 PolarHBondContact OG-N 3.4Å; S698-Q704 PolarHBondContact OG-O 3.43Å; S698-M720 WeakPolarHBondContact OG-CG 3.47Å; S698-V721 PolarHBondContact N-O 3.43Å; S698-V721 PolarHBondContact OG-O 3.09Å; S698-V721 VanDerWaalsContact OG-O 3.07Å; S698-E722 WeakPolarHBondContact O-CA 3.13Å
699	S	79.1	Confident	85.1	Confident	55 Å²	55	59.6 Å²	59.6	39%	0.385	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-127.5	162.1	178.1	67.6	0	0	0	0	110.7	D701 K702 P703	S699-D701 PolarHBondContact O-N 3.01Å; S699-D701 VanDerWaalsContact O-N 3.15Å; S699-K702 CarbonylContact O-C 3.57Å; S699-K702 PolarHBondContact O-N 3.28Å; S699-K702 PolarHBondContact OG-N 2.75Å; S699-P703 VanDerWaalsContact O-CA 3.26Å; S699-P703 WeakPolarHBondContact O-CA 3.35Å
700	N	69	Low	85.2	Confident	39 Å²	39	59.4 Å²	59.4	21%	0.209	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.7	177.1	-79.8	-42.2	0	0	0	113.7	M720 E722	N700-M720 WeakPolarHBondContact OD1-CE 3.46Å; N700-E722 PolarHBondContact ND2-OE1 3.46Å
701	D	69.5	Low	85.3	Confident	131 Å²	131	60.2 Å²	60.2	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-22.1	179.2	-57	-47.8	0	0	0	112.8	S699	S699-D701 PolarHBondContact O-N 3.01Å; S699-D701 VanDerWaalsContact O-N 3.15Å
702	K	74.8	Confident	85.3	Confident	169 Å²	169	59.9 Å²	59.9	74%	0.735	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-140.2	70.8	175.3	-70.8	-173.6	179.4	179.5	0	109.7	S699 Q704	S699-K702 CarbonylContact O-C 3.57Å; S699-K702 PolarHBondContact O-N 3.28Å; S699-K702 PolarHBondContact OG-N 2.75Å; K702-Q704 PolarHBondContact O-N 3.13Å
703	P	78.9	Confident	84.9	Confident	33 Å²	33	67 Å²	67	21%	0.214	37%	0.366	C	S	.	.			trans	-72.9	128.2	-171	30.5	-36	0	0	0	110.3	F658 S699 Y705 M720	F658-P703 HydrophobicContact CB-CB 4.28Å; F658-P703 HydrophobicContact CD2-CB 4.39Å; S699-P703 VanDerWaalsContact O-CA 3.26Å; S699-P703 WeakPolarHBondContact O-CA 3.35Å; P703-Y705 HydrophobicContact CB-CD1 4Å; P703-Y705 HydrophobicContact CB-CE1 4.36Å; P703-Y705 HydrophobicContact CG-CD1 4.29Å; P703-Y705 HydrophobicContact CG-CE1 4.13Å; P703-M720 HydrophobicContact CB-CG 4.5Å; P703-M720 HydrophobicContact CB-SD 3.32Å; P703-M720 WeakPolarHBondContact CB-SD 3.32Å
704	Q	85.1	Confident	84.6	Confident	102 Å²	102	71.9 Å²	71.9	48%	0.477	39%	0.387	S	S	.	.			trans	-106.3	115.9	166.6	-68.8	-176	-35.6	0	0	108	P696 S698 K702 M720	P696-Q704 HydrophobicContact CG-CB 4.33Å; S698-Q704 VanDerWaalsContact CB-N 3.28Å; S698-Q704 PolarHBondContact OG-N 3.4Å; S698-Q704 PolarHBondContact OG-O 3.43Å; K702-Q704 PolarHBondContact O-N 3.13Å; Q704-M720 WeakPolarHBondContact O-CG 3.37Å
705	Y	89.6	Confident	84.7	Confident	46 Å²	46	68.5 Å²	68.5	18%	0.18	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-129.4	165.9	-173.4	49.4	-94.1	0	0	0	111.7	M649 L652 F658 P703 D707 I718 I719	M649-Y705 HydrophobicContact CE-CD2 3.78Å; M649-Y705 HydrophobicContact CE-CE2 3.51Å; M649-Y705 HydrophobicContact SD-CD2 3.7Å; M649-Y705 HydrophobicContact SD-CE2 3.63Å; L652-Y705 HydrophobicContact CB-CE1 3.98Å; L652-Y705 HydrophobicContact CB-CE2 4.31Å; L652-Y705 WeakPolarHBondContact CB-OH 3.31Å; L652-Y705 HydrophobicContact CD1-CD1 4.38Å; L652-Y705 HydrophobicContact CD1-CD2 4.3Å; L652-Y705 HydrophobicContact CD1-CE1 4.3Å; L652-Y705 HydrophobicContact CD1-CE2 4.23Å; L652-Y705 HydrophobicContact CD1-CG 4.37Å; F658-Y705 HydrophobicContact CD2-CD1 4.42Å; F658-Y705 HydrophobicContact CE2-CG 4.48Å; P703-Y705 HydrophobicContact CB-CD1 4Å; P703-Y705 HydrophobicContact CB-CE1 4.36Å; P703-Y705 HydrophobicContact CG-CD1 4.29Å; P703-Y705 HydrophobicContact CG-CE1 4.13Å; Y705-D707 PolarHBondContact O-N 3.23Å; Y705-I718 HydrophobicContact CD2-CG2 3.97Å; Y705-I718 HydrophobicContact CG-CG2 4.13Å; Y705-I719 CarbonylContact C-O 3.56Å; Y705-I719 WeakPolarHBondContact CA-O 3.37Å; Y705-I719 VanDerWaalsContact CB-O 3.27Å; Y705-I719 WeakPolarHBondContact CB-O 3.24Å
706	T	90	Very high	84.9	Confident	14 Å²	14	69.8 Å²	69.8	9%	0.086	36%	0.364	C	S	.	.			trans	-66.8	119.1	176.2	51.5	0	0	0	0	111.1	M649 A691 L695 P708 V710 H717 I719	M649-T706 WeakPolarHBondContact CE-O 3.37Å; A691-T706 HydrophobicContact CB-CG2 4.05Å; L695-T706 HydrophobicContact CD1-CG2 3.68Å; L695-T706 HydrophobicContact CD2-CG2 4.4Å; L695-T706 HydrophobicContact CG-CG2 4.26Å; T706-P708 CarbonylContact C-O 3.55Å; T706-V710 HydrophobicContact CG2-CG2 3.67Å; T706-H717 PolarHBondContact OG1-O 3.35Å; T706-I719 HydrophobicContact CG2-CB 3.97Å; T706-I719 HydrophobicContact CG2-CG1 4.41Å; T706-I719 PolarHBondContact N-O 2.87Å; T706-I719 VanDerWaalsContact N-O 3.11Å; T706-I719 PolarHBondContact OG1-N 3.3Å
707	D	87	Confident	85.2	Confident	94 Å²	94	67.1 Å²	67.1	50%	0.503	35%	0.346	S	S	.	.	S	Bend	trans	-128	112.8	168.2	-165.8	-3.9	0	0	0	108	M649 K653 Y705	M649-D707 HydrophobicContact CE-CB 3.45Å; M649-D707 VanDerWaalsContact CE-CB 3.45Å; M649-D707 WeakPolarHBondContact CE-OD1 3.35Å; K653-D707 WeakPolarHBondContact CE-OD2 3.43Å; K653-D707 IonicContact NZ-OD1 2.75Å; K653-D707 IonicContact NZ-OD2 3.69Å; K653-D707 PolarHBondContact NZ-OD2 2.88Å; Y705-D707 PolarHBondContact O-N 3.23Å
708	P	88.3	Confident	85.5	Confident	100 Å²	100	62.4 Å²	62.4	65%	0.649	32%	0.322	S	S	*	.	S	Bend	cis	-75	171.2	4.1	31.7	-35.7	0	0	0	114	T706	T706-P708 CarbonylContact C-O 3.55Å
709	P	90.4	Very high	85.8	Confident	13 Å²	13	61.8 Å²	61.8	8%	0.084	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-57.7	143.6	172.6	-23.2	33.4	0	0	0	113	A645 M649 H717 I718	A645-P709 HydrophobicContact CB-CB 4.29Å; A645-P709 HydrophobicContact CB-CG 3.98Å; M649-P709 HydrophobicContact CG-CG 4.06Å; P709-H717 CarbonylContact C-O 3.59Å; P709-I718 HydrophobicContact CB-CG1 4.2Å; P709-I718 HydrophobicContact CG-CG1 4.14Å
710	V	92.1	Very high	86.4	Confident	24 Å²	24	59.1 Å²	59.1	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.6	-179	-178.5	0	0	0	0	110.3	P687 A691 T706 T712 H717 I719	P687-V710 HydrophobicContact CB-CG1 3.97Å; A691-V710 HydrophobicContact CB-CG1 4.47Å; A691-V710 HydrophobicContact CB-CG2 3.66Å; T706-V710 HydrophobicContact CG2-CG2 3.67Å; V710-T712 HydrophobicContact CG1-CG2 4.42Å; V710-H717 PolarHBondContact N-O 3.44Å; V710-H717 PolarHBondContact O-N 3.02Å; V710-I719 HydrophobicContact CB-CD1 4.21Å; V710-I719 HydrophobicContact CG2-CD1 4.01Å
711	K	90.9	Very high	87.5	Confident	108 Å²	108	57.3 Å²	57.3	47%	0.47	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.6	173.9	-169.8	177.3	177.9	-175.2	0	110.1	D594 Y716	D594-K711 IonicContact OD2-NZ 3.51Å; K711-Y716 HydrophobicContact CB-CD1 4.14Å; K711-Y716 HydrophobicContact CB-CE1 3.94Å; K711-Y716 HydrophobicContact CD-CE1 4.08Å; K711-Y716 HydrophobicContact CG-CD1 4.41Å; K711-Y716 HydrophobicContact CG-CE1 3.93Å
712	T	89.9	Confident	88.5	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.08	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	176.9	167.7	80.2	0	0	0	0	109.6	P687 F688 V710 F714 G715 H717	P687-T712 HydrophobicContact CB-CG2 4.49Å; F688-T712 HydrophobicContact CB-CG2 4.02Å; V710-T712 HydrophobicContact CG1-CG2 4.42Å; T712-F714 PolarHBondContact O-N 2.68Å; T712-F714 VanDerWaalsContact O-N 3.11Å; T712-F714 PolarHBondContact OG1-N 3.14Å; T712-F714 VanDerWaalsContact OG1-N 3.11Å; T712-G715 PolarHBondContact N-O 2.98Å; T712-G715 PolarHBondContact O-N 3.25Å; T712-G715 VanDerWaalsContact O-N 3.17Å; T712-H717 VanDerWaalsContact CG2-CD2 3.44Å; T712-H717 WeakPolarHBondContact CG2-CD2 3.43Å; T712-H717 PolarHBondContact OG1-CD2 3.28Å; T712-H717 VanDerWaalsContact OG1-CD2 3.26Å; T712-H717 PolarHBondContact OG1-NE2 3.18Å
713	N	80.5	Confident	89.1	Confident	149 Å²	149	45.6 Å²	45.6	80%	0.797	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.1	174.5	-63.5	-5.8	0	0	0	113.6
714	F	83.7	Confident	89.6	Confident	139 Å²	139	47.9 Å²	47.9	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-12	179.6	-58.5	-64.2	0	0	0	113.6	L638 V685 T712	L638-F714 HydrophobicContact CD2-CB 4.49Å; V685-F714 HydrophobicContact CG2-CD2 4.05Å; V685-F714 HydrophobicContact CG2-CE2 3.54Å; T712-F714 PolarHBondContact O-N 2.68Å; T712-F714 VanDerWaalsContact O-N 3.11Å; T712-F714 PolarHBondContact OG1-N 3.14Å; T712-F714 VanDerWaalsContact OG1-N 3.11Å
715	G	89.7	Confident	89.4	Confident	11 Å²	11	52.1 Å²	52.1	11%	0.113	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135	-156.5	-177	0	0	0	0	0	112.6	T712	T712-G715 PolarHBondContact N-O 2.98Å; T712-G715 PolarHBondContact O-N 3.25Å; T712-G715 VanDerWaalsContact O-N 3.17Å
716	Y	92.8	Very high	89.4	Confident	48 Å²	48	52.5 Å²	52.5	19%	0.188	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.1	179.8	-62.8	-87.9	0	0	0	109.8	C639 L642 K711	C639-Y716 PolarHBondContact N-O 3.3Å; C639-Y716 PolarHBondContact O-N 3.27Å; L642-Y716 HydrophobicContact CB-CD1 4.43Å; L642-Y716 HydrophobicContact CB-CD2 4.14Å; L642-Y716 HydrophobicContact CB-CE1 4.07Å; L642-Y716 HydrophobicContact CB-CE2 3.77Å; L642-Y716 HydrophobicContact CB-CG 4.45Å; L642-Y716 HydrophobicContact CD1-CD1 3.71Å; L642-Y716 HydrophobicContact CD1-CE1 3.77Å; L642-Y716 HydrophobicContact CD1-CG 4.22Å; L642-Y716 HydrophobicContact CD2-CE1 4.45Å; L642-Y716 HydrophobicContact CG-CE1 4.31Å; K711-Y716 HydrophobicContact CB-CD1 4.14Å; K711-Y716 HydrophobicContact CB-CE1 3.94Å; K711-Y716 HydrophobicContact CD-CE1 4.08Å; K711-Y716 HydrophobicContact CG-CD1 4.41Å; K711-Y716 HydrophobicContact CG-CE1 3.93Å
717	H	93.4	Very high	89.3	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.2	-178.5	-62.3	-96.6	0	0	0	111.1	H636 I637 L638 F688 T706 P709 V710 T712 I719	H636-H717 AromaticContact ND1-ND1 3.4Å; H636-H717 PolarHBondContact ND1-ND1 3.39Å; I637-H717 VanDerWaalsContact O-CA 3.31Å; I637-H717 WeakPolarHBondContact O-CA 3.42Å; L638-H717 VanDerWaalsContact CD1-CE1 3.41Å; L638-H717 WeakPolarHBondContact CD1-CE1 3.23Å; F688-H717 HydrophobicContact CD2-CB 3.88Å; F688-H717 AromaticContact CD2-CG 3.69Å; F688-H717 AromaticContact CD2-ND1 3.77Å; F688-H717 HydrophobicContact CE2-CB 3.91Å; F688-H717 AromaticContact CE2-CG 3.85Å; F688-H717 AromaticContact CE2-ND1 3.61Å; T706-H717 PolarHBondContact OG1-O 3.35Å; P709-H717 CarbonylContact C-O 3.59Å; V710-H717 PolarHBondContact N-O 3.44Å; V710-H717 PolarHBondContact O-N 3.02Å; T712-H717 VanDerWaalsContact CG2-CD2 3.44Å; T712-H717 WeakPolarHBondContact CG2-CD2 3.43Å; T712-H717 PolarHBondContact OG1-CD2 3.28Å; T712-H717 VanDerWaalsContact OG1-CD2 3.26Å; T712-H717 PolarHBondContact OG1-NE2 3.18Å; H717-I719 HydrophobicContact CB-CD1 4.36Å; H717-I719 HydrophobicContact CB-CG1 3.97Å
718	I	93.5	Very high	89.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.7	164.1	-53.9	163.7	0	0	0	106.3	H636 I637 A648 M649 L652 F658 Y705 P709	H636-I718 CarbonylContact C-O 3.38Å; H636-I718 WeakPolarHBondContact CA-O 3.26Å; I637-I718 HydrophobicContact CB-CB 4.16Å; I637-I718 HydrophobicContact CB-CD1 4.29Å; I637-I718 HydrophobicContact CD1-CD1 4.35Å; I637-I718 HydrophobicContact CG1-CB 4.46Å; I637-I718 PolarHBondContact N-O 3.07Å; I637-I718 PolarHBondContact O-N 2.99Å; A648-I718 HydrophobicContact CB-CD1 3.86Å; M649-I718 HydrophobicContact CG-CD1 3.6Å; M649-I718 HydrophobicContact CG-CG1 4.07Å; M649-I718 HydrophobicContact SD-CB 4.36Å; M649-I718 HydrophobicContact SD-CD1 3.66Å; M649-I718 HydrophobicContact SD-CG1 3.77Å; M649-I718 HydrophobicContact SD-CG2 3.66Å; L652-I718 HydrophobicContact CD1-CD1 4.33Å; L652-I718 HydrophobicContact CD1-CG2 3.91Å; F658-I718 HydrophobicContact CE2-CG2 3.94Å; F658-I718 HydrophobicContact CZ-CG2 4.35Å; Y705-I718 HydrophobicContact CD2-CG2 3.97Å; Y705-I718 HydrophobicContact CG-CG2 4.13Å; P709-I718 HydrophobicContact CB-CG1 4.2Å; P709-I718 HydrophobicContact CG-CG1 4.14Å
719	I	93.4	Very high	89.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.8	-170.6	-51.8	175.2	0	0	0	109.3	V634 F688 A691 A692 L695 Y705 T706 V710 H717	V634-I719 HydrophobicContact CG1-CG2 3.63Å; F688-I719 HydrophobicContact CB-CD1 4.33Å; F688-I719 HydrophobicContact CD1-CD1 4.18Å; F688-I719 HydrophobicContact CD2-CD1 3.37Å; F688-I719 HydrophobicContact CD2-CG1 3.91Å; F688-I719 HydrophobicContact CE1-CD1 4.34Å; F688-I719 HydrophobicContact CE2-CD1 3.55Å; F688-I719 HydrophobicContact CE2-CG1 3.57Å; F688-I719 HydrophobicContact CG-CD1 3.71Å; F688-I719 HydrophobicContact CZ-CD1 4.04Å; F688-I719 HydrophobicContact CZ-CG1 4.04Å; F688-I719 HydrophobicContact CZ-CG2 4.22Å; A691-I719 HydrophobicContact CB-CD1 3.91Å; A692-I719 HydrophobicContact CB-CG2 4.08Å; L695-I719 HydrophobicContact CD1-CB 4.07Å; L695-I719 HydrophobicContact CD1-CG2 4.03Å; L695-I719 VanDerWaalsContact CD1-O 3.3Å; L695-I719 WeakPolarHBondContact CD1-O 3.35Å; Y705-I719 CarbonylContact C-O 3.56Å; Y705-I719 WeakPolarHBondContact CA-O 3.37Å; Y705-I719 VanDerWaalsContact CB-O 3.27Å; Y705-I719 WeakPolarHBondContact CB-O 3.24Å; T706-I719 HydrophobicContact CG2-CB 3.97Å; T706-I719 HydrophobicContact CG2-CG1 4.41Å; T706-I719 PolarHBondContact N-O 2.87Å; T706-I719 VanDerWaalsContact N-O 3.11Å; T706-I719 PolarHBondContact OG1-N 3.3Å; V710-I719 HydrophobicContact CB-CD1 4.21Å; V710-I719 HydrophobicContact CG2-CD1 4.01Å; H717-I719 HydrophobicContact CB-CD1 4.36Å; H717-I719 HydrophobicContact CB-CG1 3.97Å
720	M	92	Very high	89.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143	172.3	-175.7	-175.4	70.4	0	0	109.7	R635 F658 S698 N700 P703 Q704 E722	R635-M720 HydrophobicContact CB-CB 4.45Å; R635-M720 HydrophobicContact CB-CE 4.03Å; R635-M720 HydrophobicContact CG-CE 4.14Å; R635-M720 PolarHBondContact N-O 3.47Å; R635-M720 PolarHBondContact O-N 3.43Å; R635-M720 VanDerWaalsContact O-O 3.11Å; F658-M720 HydrophobicContact CB-CE 4.16Å; F658-M720 HydrophobicContact CB-SD 4.13Å; F658-M720 HydrophobicContact CD1-CE 4.07Å; F658-M720 HydrophobicContact CD2-CB 4.2Å; F658-M720 HydrophobicContact CD2-SD 4.07Å; F658-M720 HydrophobicContact CE1-CB 4.32Å; F658-M720 HydrophobicContact CE2-CB 3.86Å; F658-M720 HydrophobicContact CG-CE 4.03Å; F658-M720 HydrophobicContact CG-SD 4Å; F658-M720 HydrophobicContact CZ-CB 3.91Å; S698-M720 WeakPolarHBondContact OG-CG 3.47Å; N700-M720 WeakPolarHBondContact OD1-CE 3.46Å; P703-M720 HydrophobicContact CB-CG 4.5Å; P703-M720 HydrophobicContact CB-SD 3.32Å; P703-M720 WeakPolarHBondContact CB-SD 3.32Å; Q704-M720 WeakPolarHBondContact O-CG 3.37Å; M720-E722 HydrophobicContact CE-CG 4.01Å
721	V	92.4	Very high	89.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.8	178.6	177	0	0	0	0	110.8	V632 K633 A692 L695 S698 G723 K724	V632-V721 HydrophobicContact CB-CG1 4.31Å; K633-V721 WeakPolarHBondContact O-CA 3.46Å; A692-V721 HydrophobicContact CB-CG2 4.5Å; A692-V721 VanDerWaalsContact O-CG2 3.27Å; A692-V721 WeakPolarHBondContact O-CG2 3.31Å; L695-V721 HydrophobicContact CB-CB 4.49Å; L695-V721 HydrophobicContact CB-CG2 4.01Å; L695-V721 HydrophobicContact CD1-CG2 4.42Å; S698-V721 PolarHBondContact N-O 3.43Å; S698-V721 PolarHBondContact OG-O 3.09Å; S698-V721 VanDerWaalsContact OG-O 3.07Å; V721-G723 WeakPolarHBondContact CG1-O 3.48Å; V721-K724 HydrophobicContact CG1-CG 4.1Å
722	E	89	Confident	89.2	Confident	44 Å²	44	49.7 Å²	49.7	21%	0.206	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-15.4	179.5	-69.6	-169.2	151.7	0	0	113.6	K633 R635 I697 S698 N700 M720	K633-E722 HydrophobicContact CB-CB 4.39Å; K633-E722 HydrophobicContact CD-CB 4.23Å; K633-E722 HydrophobicContact CG-CB 4.47Å; K633-E722 IonicContact NZ-OE2 2.69Å; K633-E722 PolarHBondContact NZ-OE2 3.24Å; K633-E722 PolarHBondContact O-N 2.61Å; R635-E722 WeakPolarHBondContact CD-OE1 3.48Å; R635-E722 HydrophobicContact CG-CG 4.43Å; R635-E722 IonicContact CZ-OE1 3.89Å; R635-E722 VanDerWaalsContact NE-CD 3.31Å; R635-E722 IonicContact NE-OE1 2.88Å; R635-E722 PolarHBondContact NE-OE1 3.31Å; R635-E722 IonicContact NE-OE2 3.89Å; R635-E722 IonicContact NH2-OE1 3.35Å; I697-E722 WeakPolarHBondContact CG2-O 3.39Å; S698-E722 WeakPolarHBondContact O-CA 3.13Å; N700-E722 PolarHBondContact ND2-OE1 3.46Å; M720-E722 HydrophobicContact CE-CG 4.01Å
723	G	88.5	Confident	89.1	Confident	10 Å²	10	52.5 Å²	52.5	10%	0.103	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	156	-179.5	0	0	0	0	0	112.7	V632 K633 V721	V632-G723 CarbonylContact C-O 2.92Å; V632-G723 WeakPolarHBondContact CA-O 3.38Å; K633-G723 PolarHBondContact N-O 2.79Å; V721-G723 WeakPolarHBondContact CG1-O 3.48Å
724	K	88.4	Confident	89.8	Confident	82 Å²	82	44.5 Å²	44.5	36%	0.357	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.5	171.3	-52.9	-167.4	177.1	177.6	0	108.6	A631 V632 F693 L695 I697 V721	A631-K724 CarbonylContact O-C 3.48Å; A631-K724 WeakPolarHBondContact O-CA 3.05Å; V632-K724 HydrophobicContact CB-CG 4.5Å; V632-K724 HydrophobicContact CG1-CB 4.23Å; V632-K724 HydrophobicContact CG1-CD 3.98Å; V632-K724 HydrophobicContact CG1-CG 3.7Å; F693-K724 PolarHBondContact O-NZ 3.01Å; L695-K724 WeakPolarHBondContact O-CE 3.43Å; L695-K724 PolarHBondContact O-NZ 2.85Å; I697-K724 HydrophobicContact CD1-CB 4.03Å; I697-K724 HydrophobicContact CD1-CG 3.92Å; I697-K724 HydrophobicContact CG1-CB 4.39Å; I697-K724 HydrophobicContact CG1-CD 4.34Å; I697-K724 HydrophobicContact CG1-CG 3.71Å; V721-K724 HydrophobicContact CG1-CG 4.1Å
725	K	81.4	Confident	90.4	Very high	191 Å²	191	35.9 Å²	35.9	83%	0.83	17%	0.167	S	C	*	.			trans	-139.1	0	177.9	-77.1	-179	-176.4	-174	0	110.8	T630 A631 W678	T630-K725 CarbonylContact C-O 3.5Å; T630-K725 VanDerWaalsContact CA-O 3.27Å; T630-K725 WeakPolarHBondContact CA-O 3.46Å; A631-K725 PolarHBondContact N-O 3.32Å; A631-K725 PolarHBondContact O-N 3.26Å; W678-K725 HydrophobicContact CH2-CB 4.12Å; W678-K725 HydrophobicContact CH2-CD 3.58Å; W678-K725 HydrophobicContact CH2-CG 3.5Å; W678-K725 VanDerWaalsContact CH2-CG 3.5Å; W678-K725 HydrophobicContact CZ2-CD 3.82Å; W678-K725 HydrophobicContact CZ2-CG 4.25Å; W678-K725 HydrophobicContact CZ3-CB 3.81Å; W678-K725 HydrophobicContact CZ3-CD 4.01Å; W678-K725 HydrophobicContact CZ3-CG 3.74Å

Retrieved 725 of 725 residues in 1174.7 ms (Link to these results)

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