A0A077Z810_TRITR Loading...

Matrix metalloproteinase 1

AlphaFold DB , UniProt , Accession A0A077Z810, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 510 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	43.8	Very low	43.1	Very low	230 Å²	230	116.4 Å²	116.4	100%	1.133	66%	0.662	S	S	*	*				0	-19.1	0	-87.6	-170.7	-93.3	0	0	114.6	Q3 G4	M1-Q3 PolarHBondContact O-N 2.74Å; M1-G4 PolarHBondContact O-N 3.4Å
2	V	47	Very low	42.4	Very low	124 Å²	124	113.7 Å²	113.7	75%	0.752	65%	0.65	S	S	*	*	H	α-helix	trans	-70.9	-24.7	-174.2	-177.4	0	0	0	0	114.5	G4	V2-G4 VanDerWaalsContact C-N 3.35Å; V2-G4 PolarHBondContact O-N 3.28Å
3	Q	45	Very low	42.1	Very low	179 Å²	179	110 Å²	110	84%	0.836	64%	0.642	S	S	*	*	H	α-helix	trans	-74.1	-20	175.2	-88.7	171.7	-34.4	0	0	114.4	M1	M1-Q3 PolarHBondContact O-N 2.74Å
4	G	43.3	Very low	41.8	Very low	49 Å²	49	106.7 Å²	106.7	51%	0.505	63%	0.634	S	S	.	*	H	α-helix	trans	-77.1	-25.9	178	0	0	0	0	0	113.9	M1 V2 A8	M1-G4 PolarHBondContact O-N 3.4Å; V2-G4 VanDerWaalsContact C-N 3.35Å; V2-G4 PolarHBondContact O-N 3.28Å; G4-A8 PolarHBondContact O-N 2.68Å
5	A	43.9	Very low	41.2	Very low	53 Å²	53	103.2 Å²	103.2	44%	0.438	62%	0.621	S	S	.	*	H	α-helix	trans	-76.7	-29.4	-176	0	0	0	0	0	113.2	A8 M9	A5-A8 PolarHBondContact O-N 3.43Å; A5-M9 PolarHBondContact O-N 3.43Å
6	I	46.9	Very low	40.7	Very low	116 Å²	116	103 Å²	103	60%	0.595	62%	0.62	S	S	*	*	H	α-helix	trans	-76.1	-33.2	-178.8	-60.9	176.8	0	0	0	111.1	M9 A10	I6-M9 PolarHBondContact O-N 3.2Å; I6-A10 PolarHBondContact O-N 3.12Å
7	Q	42.6	Very low	40.3	Very low	147 Å²	147	103.7 Å²	103.7	69%	0.687	63%	0.625	S	S	*	*	H	α-helix	trans	-72.2	-29.9	172.8	-87	173.1	-37	0	0	112.9	L11	Q7-L11 PolarHBondContact O-N 2.79Å
8	A	42.3	Very low	39.9	Very low	57 Å²	57	107.8 Å²	107.8	47%	0.471	63%	0.634	S	S	.	*	H	α-helix	trans	-72	-31.1	174.4	0	0	0	0	0	113.2	G4 A5 T12	G4-A8 PolarHBondContact O-N 2.68Å; A5-A8 PolarHBondContact O-N 3.43Å; A8-T12 PolarHBondContact O-N 3.39Å; A8-T12 PolarHBondContact O-OG1 3.01Å; A8-T12 VanDerWaalsContact O-OG1 3.06Å
9	M	41.1	Very low	39.5	Very low	127 Å²	127	108.5 Å²	108.5	63%	0.626	63%	0.633	S	S	*	*	H	α-helix	trans	-78.1	-29.2	175.5	-73.7	-169.1	-66.7	0	0	113.4	A5 I6 T12 A13	A5-M9 PolarHBondContact O-N 3.43Å; I6-M9 PolarHBondContact O-N 3.2Å; M9-T12 WeakPolarHBondContact CA-OG1 3.43Å; M9-T12 PolarHBondContact O-OG1 3.36Å; M9-T12 VanDerWaalsContact O-OG1 3.07Å; M9-A13 PolarHBondContact O-N 3.12Å
10	A	42	Very low	39.1	Very low	67 Å²	67	111.6 Å²	111.6	55%	0.554	64%	0.639	S	S	*	*	H	α-helix	trans	-71.8	-32.9	174.6	0	0	0	0	0	112.7	I6 A14	I6-A10 PolarHBondContact O-N 3.12Å; A10-A14 PolarHBondContact O-N 3.19Å
11	L	36.1	Very low	38.9	Very low	131 Å²	131	113.8 Å²	113.8	69%	0.686	65%	0.648	S	S	*	*	H	α-helix	trans	-75.2	-25.8	176.5	-82.5	157.8	0	0	0	113.2	Q7 A15	Q7-L11 PolarHBondContact O-N 2.79Å; L11-A15 PolarHBondContact O-N 3.03Å
12	T	34.8	Very low	38.5	Very low	84 Å²	84	109.7 Å²	109.7	52%	0.515	62%	0.624	S	S	.	*	H	α-helix	trans	-79.8	-31.5	174.8	43.1	0	0	0	0	112.4	A8 M9 A14 A15 V16	A8-T12 PolarHBondContact O-N 3.39Å; A8-T12 PolarHBondContact O-OG1 3.01Å; A8-T12 VanDerWaalsContact O-OG1 3.06Å; M9-T12 WeakPolarHBondContact CA-OG1 3.43Å; M9-T12 PolarHBondContact O-OG1 3.36Å; M9-T12 VanDerWaalsContact O-OG1 3.07Å; T12-A14 PolarHBondContact O-N 3.42Å; T12-A15 PolarHBondContact O-N 2.75Å; T12-V16 VanDerWaalsContact O-CG2 3.25Å; T12-V16 WeakPolarHBondContact O-CG2 3.01Å; T12-V16 PolarHBondContact O-N 2.8Å
13	A	38.7	Very low	38.3	Very low	66 Å²	66	111.7 Å²	111.7	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-67	-33.4	174	0	0	0	0	0	113.3	M9 T17	M9-A13 PolarHBondContact O-N 3.12Å; A13-T17 PolarHBondContact O-OG1 3.04Å
14	A	37.5	Very low	38.4	Very low	64 Å²	64	105.5 Å²	105.5	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-76.7	-22.9	176.1	0	0	0	0	0	113.5	A10 T12	A10-A14 PolarHBondContact O-N 3.19Å; T12-A14 PolarHBondContact O-N 3.42Å
15	A	32.8	Very low	38.3	Very low	54 Å²	54	107.1 Å²	107.1	45%	0.446	60%	0.603	S	S	.	*	H	α-helix	trans	-83.2	-23.5	176.8	0	0	0	0	0	113.1	L11 T12 T17	L11-A15 PolarHBondContact O-N 3.03Å; T12-A15 PolarHBondContact O-N 2.75Å; A15-T17 VanDerWaalsContact C-N 3.34Å
16	V	32.7	Very low	37.8	Very low	100 Å²	100	112.5 Å²	112.5	61%	0.606	62%	0.624	S	S	*	*	H	α-helix	trans	-75.8	-21.5	179.8	173.9	0	0	0	0	112.3	T12 F18	T12-V16 VanDerWaalsContact O-CG2 3.25Å; T12-V16 WeakPolarHBondContact O-CG2 3.01Å; T12-V16 PolarHBondContact O-N 2.8Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 2.79Å
17	T	34	Very low	37.2	Very low	115 Å²	115	110.9 Å²	110.9	71%	0.706	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-6.7	177	-1.2	0	0	0	0	114.6	A13 A15	A13-T17 PolarHBondContact O-OG1 3.04Å; A15-T17 VanDerWaalsContact C-N 3.34Å
18	F	33.6	Very low	36.8	Very low	177 Å²	177	109.9 Å²	109.9	78%	0.776	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-0.9	180	-94.8	-80.4	0	0	0	115.4	V16	V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 2.79Å
19	I	32.6	Very low	36.3	Very low	121 Å²	121	113.1 Å²	113.1	62%	0.621	64%	0.643	S	S	*	*	S	Bend	trans	-102.5	3	-169.8	-63.3	177.9	0	0	0	114.5
20	F	32	Very low	35.8	Very low	171 Å²	171	114.3 Å²	114.3	75%	0.75	65%	0.651	S	S	*	*			trans	-100.2	27.1	173.6	-79.5	-77.3	0	0	0	115.7	K22	F20-K22 HydrophobicContact CD1-CD 4.49Å; F20-K22 HydrophobicContact CE1-CD 4.48Å; F20-K22 PolarHBondContact O-N 2.91Å
21	L	35.1	Very low	35.5	Very low	158 Å²	158	116.9 Å²	116.9	83%	0.827	66%	0.662	S	S	*	*			trans	-87.5	59.2	151.3	-82.3	156.7	0	0	0	108.8	E23	L21-E23 PolarHBondContact O-N 3Å
22	K	33.4	Very low	35.2	Very low	144 Å²	144	118.7 Å²	118.7	63%	0.626	66%	0.664	S	S	*	*			trans	-66.3	112.4	174	-92.3	-173.3	172.2	-172.4	0	110	F20 C24	F20-K22 HydrophobicContact CD1-CD 4.49Å; F20-K22 HydrophobicContact CE1-CD 4.48Å; F20-K22 PolarHBondContact O-N 2.91Å; K22-C24 PolarHBondContact O-N 2.98Å; K22-C24 VanDerWaalsContact O-N 3.12Å
23	E	44.4	Very low	35.6	Very low	165 Å²	165	120.6 Å²	120.6	77%	0.771	68%	0.678	S	S	*	*	S	Bend	trans	64.1	17.8	134	-66.5	177.6	160.5	0	0	121.4	L21	L21-E23 PolarHBondContact O-N 3Å
24	C	45.5	Very low	35.3	Very low	50 Å²	50	125.7 Å²	125.7	34%	0.338	69%	0.688	S	S	.	*	S	Bend	trans	-83.4	-10.8	165.8	-82.5	0	0	0	0	115.1	K22 T90	K22-C24 PolarHBondContact O-N 2.98Å; K22-C24 VanDerWaalsContact O-N 3.12Å; C24-T90 WeakPolarHBondContact SG-CG2 3.46Å
25	C	41.5	Very low	35.2	Very low	82 Å²	82	127.4 Å²	127.4	55%	0.554	69%	0.688	S	S	*	*			trans	-114.2	11.4	-159.9	-68.6	0	0	0	0	116.8	S27	C25-S27 PolarHBondContact O-N 3.24Å; C25-S27 VanDerWaalsContact O-N 3.13Å
26	L	35	Very low	35.3	Very low	166 Å²	166	131.4 Å²	131.4	87%	0.869	70%	0.697	S	S	*	*			trans	-86.4	77.8	174.9	-73.2	173.8	0	0	0	111.6
27	S	33	Very low	35.4	Very low	82 Å²	82	137 Å²	137	57%	0.573	71%	0.707	S	S	*	*	S	Bend	trans	-162.6	110.6	150.9	60.5	0	0	0	0	111	C25	C25-S27 PolarHBondContact O-N 3.24Å; C25-S27 VanDerWaalsContact O-N 3.13Å
28	V	34	Very low	35.4	Very low	127 Å²	127	137.8 Å²	137.8	77%	0.77	70%	0.703	S	S	*	*			trans	78.2	119.6	168	-164.5	0	0	0	0	117.2
29	P	31.9	Very low	35.5	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	68%	0.683	S	S	*	*			trans	-81.6	122.8	176.8	32.4	-30.9	0	0	0	111.1
30	L	31.9	Very low	35.9	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	69%	0.686	S	S	*	*			trans	-108.4	153.3	166.9	-74.5	172.6	0	0	0	110.9	K32	L30-K32 PolarHBondContact O-N 2.83Å
31	P	34.7	Very low	36.4	Very low	121 Å²	121	128 Å²	128	79%	0.786	68%	0.682	S	S	*	*			trans	-74.9	125.2	-172.4	-6.5	23.8	0	0	0	111.3
32	K	30.1	Very low	36.8	Very low	169 Å²	169	124.5 Å²	124.5	74%	0.735	66%	0.663	S	S	*	*			trans	-62.8	135.2	164.4	-60.4	172.7	178	177.7	0	107.8	L30	L30-K32 PolarHBondContact O-N 2.83Å
33	P	43.2	Very low	37.7	Very low	124 Å²	124	120 Å²	120	81%	0.805	66%	0.657	S	S	*	*				-161.5	123.2	74.1	36.3	-13	0	0	0	116.7
34	F	32.6	Very low	38.2	Very low	173 Å²	173	119 Å²	119	76%	0.759	66%	0.657	S	S	*	*	S	Bend	trans	-173.7	-41.7	143.4	-163.6	-115.2	0	0	0	111.2	Q36 R37	F34-Q36 PolarHBondContact O-N 2.94Å; F34-R37 PolarHBondContact O-N 2.7Å
35	I	35.6	Very low	39.6	Very low	100 Å²	100	123.3 Å²	123.3	51%	0.513	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-34.5	-166.4	-61.5	172.9	0	0	0	113.5	R37 H38 L39	I35-R37 PolarHBondContact O-N 2.78Å; I35-R37 VanDerWaalsContact O-N 3.12Å; I35-H38 PolarHBondContact O-N 3.2Å; I35-H38 VanDerWaalsContact O-N 3.09Å; I35-L39 HydrophobicContact CG2-CD1 3.99Å; I35-L39 HydrophobicContact CG2-CG 4.44Å; I35-L39 PolarHBondContact O-N 3.25Å
36	Q	35	Very low	41.1	Very low	137 Å²	137	121.9 Å²	121.9	64%	0.64	67%	0.671	S	S	*	*	H	α-helix	trans	-66.1	-20.4	-176	-162.8	142	15.2	0	0	113.8	F34	F34-Q36 PolarHBondContact O-N 2.94Å
37	R	33.9	Very low	43.3	Very low	219 Å²	219	115.1 Å²	115.1	83%	0.826	64%	0.636	S	S	*	*	H	α-helix	trans	-75.9	-27.7	175.7	-115.1	-178.5	168.9	-175.9	-3.7	113.2	F34 I35 S40	F34-R37 PolarHBondContact O-N 2.7Å; I35-R37 PolarHBondContact O-N 2.78Å; I35-R37 VanDerWaalsContact O-N 3.12Å; R37-S40 PolarHBondContact O-OG 3.25Å; R37-S40 VanDerWaalsContact O-OG 3.06Å
38	H	34	Very low	45.7	Very low	131 Å²	131	114.4 Å²	114.4	61%	0.606	63%	0.626	S	S	*	*	H	α-helix	trans	-84.1	-31.7	178.5	-107.2	48.9	0	0	0	112.4	I35 S40 S41	I35-H38 PolarHBondContact O-N 3.2Å; I35-H38 VanDerWaalsContact O-N 3.09Å; H38-S40 VanDerWaalsContact C-N 3.32Å; H38-S40 PolarHBondContact O-N 3.12Å; H38-S41 PolarHBondContact O-N 2.97Å; H38-S41 PolarHBondContact O-OG 2.04Å; H38-S41 VanDerWaalsContact O-OG 3.05Å
39	L	36.1	Very low	48.1	Very low	68 Å²	68	114.9 Å²	114.9	36%	0.356	62%	0.617	S	S	.	*	H	α-helix	trans	-70.2	-26	177.9	-72.1	168.2	0	0	0	113.2	I35 S41 I98	I35-L39 HydrophobicContact CG2-CD1 3.99Å; I35-L39 HydrophobicContact CG2-CG 4.44Å; I35-L39 PolarHBondContact O-N 3.25Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 3.47Å; L39-I98 HydrophobicContact CD2-CG2 4.36Å
40	S	40.7	Very low	50.8	Low	100 Å²	100	111.8 Å²	111.8	70%	0.699	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-17.9	178.5	50.4	0	0	0	0	114.6	R37 H38	R37-S40 PolarHBondContact O-OG 3.25Å; R37-S40 VanDerWaalsContact O-OG 3.06Å; H38-S40 VanDerWaalsContact C-N 3.32Å; H38-S40 PolarHBondContact O-N 3.12Å
41	S	42.7	Very low	53.6	Low	94 Å²	94	104.8 Å²	104.8	66%	0.657	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-20.8	-178.8	62	0	0	0	0	114	H38 L39	H38-S41 PolarHBondContact O-N 2.97Å; H38-S41 PolarHBondContact O-OG 2.04Å; H38-S41 VanDerWaalsContact O-OG 3.05Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 3.47Å
42	I	43.6	Very low	56.1	Low	86 Å²	86	101.5 Å²	101.5	44%	0.441	54%	0.539	S	S	.	.	S	Bend	trans	-94.3	108.5	177.5	-57.2	176.5	0	0	0	107.3	A46	I42-A46 HydrophobicContact CG2-CB 3.57Å
43	G	52.9	Low	58.8	Low	48 Å²	48	98.3 Å²	98.3	50%	0.495	53%	0.527	S	S	.	.			trans	-58.6	148.9	179	0	0	0	0	0	112.1	N45 A46 T47	G43-N45 PolarHBondContact O-N 2.84Å; G43-A46 WeakPolarHBondContact O-CB 3.21Å; G43-A46 PolarHBondContact O-N 3.38Å; G43-T47 PolarHBondContact O-N 3.11Å
44	L	55.3	Low	61	Low	146 Å²	146	93.8 Å²	93.8	76%	0.764	49%	0.494	S	S	*	.	H	α-helix	trans	-44	-38.4	179.9	-78.3	155.9	0	0	0	113.5	T47 N48	L44-T47 PolarHBondContact O-N 2.78Å; L44-N48 PolarHBondContact O-N 2.96Å
45	N	73.5	Confident	63.8	Low	140 Å²	140	85.5 Å²	85.5	75%	0.749	46%	0.457	S	S	*	.	H	α-helix	trans	-64.7	-40	176.7	-105.5	7.9	0	0	0	114	G43 K49	G43-N45 PolarHBondContact O-N 2.84Å; N45-K49 WeakPolarHBondContact O-CB 3.35Å; N45-K49 PolarHBondContact O-N 3.34Å
46	A	74	Confident	66.2	Low	52 Å²	52	84.5 Å²	84.5	43%	0.43	45%	0.449	S	S	.	.	H	α-helix	trans	-70.2	-37.5	178.8	0	0	0	0	0	111	I42 G43 K49 A50	I42-A46 HydrophobicContact CG2-CB 3.57Å; G43-A46 WeakPolarHBondContact O-CB 3.21Å; G43-A46 PolarHBondContact O-N 3.38Å; A46-K49 PolarHBondContact O-N 2.77Å; A46-A50 PolarHBondContact O-N 2.69Å
47	T	80.9	Confident	68.4	Low	24 Å²	24	84.3 Å²	84.3	15%	0.147	44%	0.443	C	S	.	.	H	α-helix	trans	-64.5	-45.8	174.1	-50.1	0	0	0	0	111.7	G43 L44 K49 A50 A51 L93 I98	G43-T47 PolarHBondContact O-N 3.11Å; L44-T47 PolarHBondContact O-N 2.78Å; T47-K49 VanDerWaalsContact C-N 3.3Å; T47-K49 PolarHBondContact O-N 3.02Å; T47-A50 PolarHBondContact O-N 2.6Å; T47-A51 PolarHBondContact O-N 2.89Å; T47-L93 HydrophobicContact CG2-CD2 3.98Å; T47-I98 HydrophobicContact CG2-CD1 3.56Å; T47-I98 HydrophobicContact CG2-CG1 4.1Å
48	N	83.3	Confident	71	Confident	67 Å²	67	74.5 Å²	74.5	36%	0.358	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-40.8	174.9	-74.2	-6.9	0	0	0	111.5	L44 A51 Y52 L93	L44-N48 PolarHBondContact O-N 2.96Å; N48-A51 PolarHBondContact O-N 3.11Å; N48-Y52 VanDerWaalsContact O-CB 3.25Å; N48-Y52 WeakPolarHBondContact O-CB 3.36Å; N48-Y52 PolarHBondContact O-N 3.16Å; N48-L93 WeakPolarHBondContact OD1-CD2 3.44Å
49	K	84.7	Confident	73.5	Confident	136 Å²	136	68.8 Å²	68.8	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-63.8	-41.2	175.6	-172.9	176	-179.5	-179.2	0	112.3	N45 A46 T47 Y52 H53	N45-K49 WeakPolarHBondContact O-CB 3.35Å; N45-K49 PolarHBondContact O-N 3.34Å; A46-K49 PolarHBondContact O-N 2.77Å; T47-K49 VanDerWaalsContact C-N 3.3Å; T47-K49 PolarHBondContact O-N 3.02Å; K49-Y52 WeakPolarHBondContact O-CB 3.32Å; K49-Y52 PolarHBondContact O-N 3.26Å; K49-H53 WeakPolarHBondContact CE-NE2 3.29Å; K49-H53 PolarHBondContact O-CD2 3.03Å; K49-H53 PolarHBondContact O-N 2.81Å
50	A	87.9	Confident	76	Confident	60 Å²	60	66.4 Å²	66.4	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-46.2	176.4	0	0	0	0	0	111.7	A46 T47 Y52 H53 Y54	A46-A50 PolarHBondContact O-N 2.69Å; T47-A50 PolarHBondContact O-N 2.6Å; A50-Y52 VanDerWaalsContact C-N 3.31Å; A50-Y52 PolarHBondContact O-N 3.11Å; A50-H53 PolarHBondContact O-N 3.31Å; A50-Y54 WeakPolarHBondContact O-CB 3.33Å; A50-Y54 PolarHBondContact O-N 2.94Å
51	A	91.3	Very high	78	Confident	6 Å²	6	62.1 Å²	62.1	5%	0.05	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-38.6	175.3	0	0	0	0	0	112	T47 N48 Y54 L55 F74 L93 M101	T47-A51 PolarHBondContact O-N 2.89Å; N48-A51 PolarHBondContact O-N 3.11Å; A51-Y54 WeakPolarHBondContact O-CB 3.41Å; A51-Y54 PolarHBondContact O-N 2.86Å; A51-L55 WeakPolarHBondContact O-CB 3Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.29Å; A51-L55 PolarHBondContact O-N 2.79Å; A51-F74 HydrophobicContact CB-CE2 4.3Å; A51-F74 HydrophobicContact CB-CZ 3.98Å; A51-L93 HydrophobicContact CB-CD1 3.69Å; A51-L93 HydrophobicContact CB-CD2 3.55Å; A51-L93 HydrophobicContact CB-CG 4.28Å; A51-M101 HydrophobicContact CB-CE 4.44Å; A51-M101 HydrophobicContact CB-SD 4.04Å
52	Y	87.3	Confident	79.4	Confident	52 Å²	52	62.8 Å²	62.8	20%	0.204	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-51.2	173.4	173.5	-88.2	0	0	0	111.9	N48 K49 A50 Y54 L55 K56 L61 V63 T69 F74	N48-Y52 VanDerWaalsContact O-CB 3.25Å; N48-Y52 WeakPolarHBondContact O-CB 3.36Å; N48-Y52 PolarHBondContact O-N 3.16Å; K49-Y52 WeakPolarHBondContact O-CB 3.32Å; K49-Y52 PolarHBondContact O-N 3.26Å; A50-Y52 VanDerWaalsContact C-N 3.31Å; A50-Y52 PolarHBondContact O-N 3.11Å; Y52-Y54 VanDerWaalsContact C-N 3.28Å; Y52-Y54 PolarHBondContact O-N 2.88Å; Y52-L55 PolarHBondContact O-N 2.94Å; Y52-K56 HydrophobicContact CE1-CD 4.49Å; Y52-K56 WeakPolarHBondContact O-CB 3.06Å; Y52-K56 PolarHBondContact O-N 3.44Å; Y52-L61 HydrophobicContact CD2-CD2 3.41Å; Y52-L61 VanDerWaalsContact CD2-CD2 3.41Å; Y52-L61 HydrophobicContact CE2-CD2 3.25Å; Y52-L61 HydrophobicContact CG-CD2 4.27Å; Y52-V63 HydrophobicContact CE2-CG2 4.5Å; Y52-V63 WeakPolarHBondContact OH-CG2 3.22Å; Y52-T69 HydrophobicContact CE2-CG2 4.25Å; Y52-T69 VanDerWaalsContact CE2-OG1 3.29Å; Y52-T69 WeakPolarHBondContact CE2-OG1 3.5Å; Y52-F74 HydrophobicContact CD2-CD2 4.48Å
53	H	85.9	Confident	80.3	Confident	102 Å²	102	59.2 Å²	59.2	47%	0.472	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-36.5	178.3	-73.7	-61.5	0	0	0	112	K49 A50 R57	K49-H53 WeakPolarHBondContact CE-NE2 3.29Å; K49-H53 PolarHBondContact O-CD2 3.03Å; K49-H53 PolarHBondContact O-N 2.81Å; A50-H53 PolarHBondContact O-N 3.31Å; H53-R57 VanDerWaalsContact O-CB 3.27Å; H53-R57 WeakPolarHBondContact O-CB 3.25Å; H53-R57 PolarHBondContact O-N 2.99Å
54	Y	90.9	Very high	80.5	Confident	28 Å²	28	59 Å²	59	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-53.5	174.3	-176.8	-80.1	0	0	0	111.8	A50 A51 Y52 K56 R57 Y58 F81 M101 R105	A50-Y54 WeakPolarHBondContact O-CB 3.33Å; A50-Y54 PolarHBondContact O-N 2.94Å; A51-Y54 WeakPolarHBondContact O-CB 3.41Å; A51-Y54 PolarHBondContact O-N 2.86Å; Y52-Y54 VanDerWaalsContact C-N 3.28Å; Y52-Y54 PolarHBondContact O-N 2.88Å; Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 PolarHBondContact O-N 2.89Å; Y54-R57 WeakPolarHBondContact O-CB 3.33Å; Y54-R57 PolarHBondContact O-N 3.18Å; Y54-R57 VanDerWaalsContact O-N 3.11Å; Y54-Y58 AromaticContact CD1-CD2 3.83Å; Y54-Y58 HydrophobicContact CD1-CD2 3.83Å; Y54-Y58 HydrophobicContact CD1-CE2 4.34Å; Y54-Y58 HydrophobicContact CD2-CD2 4Å; Y54-Y58 AromaticContact CD2-CE2 3.67Å; Y54-Y58 HydrophobicContact CD2-CE2 3.67Å; Y54-Y58 AromaticContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CE2 4.1Å; Y54-Y58 AromaticContact CE2-CD2 3.85Å; Y54-Y58 HydrophobicContact CE2-CD2 3.85Å; Y54-Y58 AromaticContact CE2-CE2 3.4Å; Y54-Y58 HydrophobicContact CE2-CE2 3.4Å; Y54-Y58 VanDerWaalsContact CE2-CE2 3.4Å; Y54-Y58 HydrophobicContact CG-CD2 4Å; Y54-Y58 HydrophobicContact CG-CE2 4.14Å; Y54-Y58 AromaticContact CZ-CD2 3.67Å; Y54-Y58 AromaticContact CZ-CE2 3.65Å; Y54-Y58 VanDerWaalsContact O-CD2 3.29Å; Y54-Y58 WeakPolarHBondContact O-CD2 3.47Å; Y54-Y58 PolarHBondContact O-N 2.75Å; Y54-Y58 VanDerWaalsContact O-N 3.1Å; Y54-F81 AromaticContact CE1-CD2 3.83Å; Y54-F81 HydrophobicContact CE1-CD2 3.83Å; Y54-F81 AromaticContact CE1-CE2 3.5Å; Y54-F81 HydrophobicContact CE1-CE2 3.5Å; Y54-F81 VanDerWaalsContact CE1-CE2 3.5Å; Y54-F81 HydrophobicContact CE1-CZ 4.1Å; Y54-F81 AromaticContact CZ-CE2 3.88Å; Y54-F81 WeakPolarHBondContact OH-CE2 3.46Å; Y54-M101 HydrophobicContact CD1-CE 3.91Å; Y54-M101 HydrophobicContact CD1-CG 3.94Å; Y54-M101 HydrophobicContact CD1-SD 4.11Å; Y54-M101 HydrophobicContact CD2-CB 4.12Å; Y54-M101 HydrophobicContact CD2-CG 4.35Å; Y54-M101 HydrophobicContact CE1-CB 4.41Å; Y54-M101 HydrophobicContact CE1-CE 4.27Å; Y54-M101 HydrophobicContact CE1-CG 3.79Å; Y54-M101 HydrophobicContact CE2-CB 3.9Å; Y54-M101 HydrophobicContact CE2-CG 4.18Å; Y54-M101 WeakPolarHBondContact CE2-O 3.44Å; Y54-M101 HydrophobicContact CG-CB 4.45Å; Y54-M101 HydrophobicContact CG-CG 4.23Å; Y54-M101 HydrophobicContact CG-SD 4.29Å; Y54-R105 WeakPolarHBondContact OH-CD 3.45Å; Y54-R105 PolarHBondContact OH-NH1 3.06Å
55	L	91.2	Very high	80.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-38.1	-178.7	-67.9	169.1	0	0	0	111.5	A51 Y52 G59 Y60 L61 F74 A77 L78 F81 M101	A51-L55 WeakPolarHBondContact O-CB 3Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.29Å; A51-L55 PolarHBondContact O-N 2.79Å; Y52-L55 PolarHBondContact O-N 2.94Å; L55-G59 PolarHBondContact O-N 3.01Å; L55-Y60 HydrophobicContact CD2-CD2 4.01Å; L55-Y60 HydrophobicContact CD2-CG 3.95Å; L55-Y60 PolarHBondContact O-N 3.28Å; L55-L61 HydrophobicContact CB-CB 3.83Å; L55-L61 PolarHBondContact O-N 3.09Å; L55-L61 VanDerWaalsContact O-N 3.07Å; L55-F74 HydrophobicContact CD1-CD2 3.94Å; L55-F74 HydrophobicContact CD1-CE2 3.65Å; L55-F74 HydrophobicContact CD1-CZ 4.38Å; L55-A77 HydrophobicContact CB-CB 4.46Å; L55-A77 HydrophobicContact CD1-CB 3.98Å; L55-A77 HydrophobicContact CD2-CB 4.46Å; L55-L78 HydrophobicContact CD1-CD2 3.89Å; L55-L78 HydrophobicContact CD1-CG 3.89Å; L55-L78 HydrophobicContact CD2-CD2 4.47Å; L55-F81 HydrophobicContact CD2-CB 3.66Å; L55-F81 HydrophobicContact CD2-CG 4.15Å; L55-M101 HydrophobicContact CD2-CE 3.92Å; L55-M101 HydrophobicContact CG-CE 4.15Å
56	K	84.6	Confident	79.4	Confident	79 Å²	79	57.6 Å²	57.6	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-42.7	174.3	-175.4	164.3	-179.8	156.9	0	112.1	Y52 Y54 Y58 G59 V63	Y52-K56 HydrophobicContact CE1-CD 4.49Å; Y52-K56 WeakPolarHBondContact O-CB 3.06Å; Y52-K56 PolarHBondContact O-N 3.44Å; Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 PolarHBondContact O-N 2.89Å; K56-Y58 VanDerWaalsContact C-N 3.35Å; K56-Y58 PolarHBondContact O-N 2.84Å; K56-G59 PolarHBondContact O-N 3.48Å; K56-V63 PolarHBondContact NZ-O 2.92Å
57	R	82.7	Confident	78.6	Confident	132 Å²	132	59.1 Å²	59.1	50%	0.498	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-42.3	-179.7	-179.8	178.7	-176	169.9	5.6	112.5	H53 Y54	H53-R57 VanDerWaalsContact O-CB 3.27Å; H53-R57 WeakPolarHBondContact O-CB 3.25Å; H53-R57 PolarHBondContact O-N 2.99Å; Y54-R57 WeakPolarHBondContact O-CB 3.33Å; Y54-R57 PolarHBondContact O-N 3.18Å; Y54-R57 VanDerWaalsContact O-N 3.11Å
58	Y	88.4	Confident	77.9	Confident	13 Å²	13	63.2 Å²	63.2	5%	0.051	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9	-175.3	-66.4	-71	0	0	0	114.3	Y54 K56 C106 D110	Y54-Y58 AromaticContact CD1-CD2 3.83Å; Y54-Y58 HydrophobicContact CD1-CD2 3.83Å; Y54-Y58 HydrophobicContact CD1-CE2 4.34Å; Y54-Y58 HydrophobicContact CD2-CD2 4Å; Y54-Y58 AromaticContact CD2-CE2 3.67Å; Y54-Y58 HydrophobicContact CD2-CE2 3.67Å; Y54-Y58 AromaticContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CD2 3.65Å; Y54-Y58 HydrophobicContact CE1-CE2 4.1Å; Y54-Y58 AromaticContact CE2-CD2 3.85Å; Y54-Y58 HydrophobicContact CE2-CD2 3.85Å; Y54-Y58 AromaticContact CE2-CE2 3.4Å; Y54-Y58 HydrophobicContact CE2-CE2 3.4Å; Y54-Y58 VanDerWaalsContact CE2-CE2 3.4Å; Y54-Y58 HydrophobicContact CG-CD2 4Å; Y54-Y58 HydrophobicContact CG-CE2 4.14Å; Y54-Y58 AromaticContact CZ-CD2 3.67Å; Y54-Y58 AromaticContact CZ-CE2 3.65Å; Y54-Y58 VanDerWaalsContact O-CD2 3.29Å; Y54-Y58 WeakPolarHBondContact O-CD2 3.47Å; Y54-Y58 PolarHBondContact O-N 2.75Å; Y54-Y58 VanDerWaalsContact O-N 3.1Å; K56-Y58 VanDerWaalsContact C-N 3.35Å; K56-Y58 PolarHBondContact O-N 2.84Å; Y58-C106 WeakPolarHBondContact CE1-O 3.29Å; Y58-D110 PolarHBondContact O-N 3.36Å
59	G	85.1	Confident	77.3	Confident	12 Å²	12	61.1 Å²	61.1	12%	0.124	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-0.1	173.5	0	0	0	0	0	115.9	L55 K56 L61	L55-G59 PolarHBondContact O-N 3.01Å; K56-G59 PolarHBondContact O-N 3.48Å; G59-L61 VanDerWaalsContact C-N 3.34Å; G59-L61 PolarHBondContact O-N 2.63Å
60	Y	88.4	Confident	77.2	Confident	17 Å²	17	58.1 Å²	58.1	7%	0.067	34%	0.337	C	S	.	.	S	Bend	trans	-70.3	-29.7	177.3	-63.1	-77.6	0	0	0	113.6	L55 A77 V80 F81 V84 D110 I111	L55-Y60 HydrophobicContact CD2-CD2 4.01Å; L55-Y60 HydrophobicContact CD2-CG 3.95Å; L55-Y60 PolarHBondContact O-N 3.28Å; Y60-A77 VanDerWaalsContact O-CB 3.24Å; Y60-A77 WeakPolarHBondContact O-CB 3.47Å; Y60-V80 HydrophobicContact CD1-CB 4.01Å; Y60-V80 HydrophobicContact CD1-CG1 3.91Å; Y60-V80 HydrophobicContact CE1-CB 4.41Å; Y60-V80 HydrophobicContact CE1-CG1 4.02Å; Y60-F81 HydrophobicContact CD1-CB 3.99Å; Y60-F81 HydrophobicContact CD2-CB 4.32Å; Y60-F81 HydrophobicContact CD2-CD2 4.42Å; Y60-F81 HydrophobicContact CE1-CB 3.92Å; Y60-F81 HydrophobicContact CE2-CB 4.27Å; Y60-F81 AromaticContact CE2-CD2 3.79Å; Y60-F81 HydrophobicContact CE2-CD2 3.79Å; Y60-F81 HydrophobicContact CG-CB 4.17Å; Y60-F81 AromaticContact CZ-CD2 3.84Å; Y60-V84 HydrophobicContact CE1-CB 4.43Å; Y60-V84 HydrophobicContact CE1-CG2 4.01Å; Y60-V84 WeakPolarHBondContact OH-CB 3.46Å; Y60-V84 WeakPolarHBondContact OH-CG1 3.17Å; Y60-D110 HydrophobicContact CE1-CB 4.48Å; Y60-D110 HydrophobicContact CE2-CB 4.15Å; Y60-D110 WeakPolarHBondContact CE2-OD2 3.25Å; Y60-D110 PolarHBondContact OH-OD2 3.08Å; Y60-I111 HydrophobicContact CD1-CD1 3.49Å; Y60-I111 VanDerWaalsContact CD1-CD1 3.49Å; Y60-I111 HydrophobicContact CD1-CG1 4.44Å; Y60-I111 HydrophobicContact CE1-CD1 3.76Å; Y60-I111 HydrophobicContact CE1-CG1 4.4Å; Y60-I111 HydrophobicContact CG-CD1 4.34Å
61	L	83.5	Confident	77	Confident	10 Å²	10	62.2 Å²	62.2	5%	0.052	35%	0.351	C	S	.	.			trans	-119.8	105.4	-177.4	-170.4	74.1	0	0	0	111.2	Y52 L55 G59 V63 T69 Q73 A77	Y52-L61 HydrophobicContact CD2-CD2 3.41Å; Y52-L61 VanDerWaalsContact CD2-CD2 3.41Å; Y52-L61 HydrophobicContact CE2-CD2 3.25Å; Y52-L61 HydrophobicContact CG-CD2 4.27Å; L55-L61 HydrophobicContact CB-CB 3.83Å; L55-L61 PolarHBondContact O-N 3.09Å; L55-L61 VanDerWaalsContact O-N 3.07Å; G59-L61 VanDerWaalsContact C-N 3.34Å; G59-L61 PolarHBondContact O-N 2.63Å; L61-V63 HydrophobicContact CD2-CG2 4.18Å; L61-V63 HydrophobicContact CG-CG2 4.13Å; L61-T69 HydrophobicContact CD1-CG2 3.7Å; L61-T69 HydrophobicContact CD2-CG2 3.97Å; L61-T69 HydrophobicContact CG-CG2 4.36Å; L61-Q73 HydrophobicContact CD1-CB 4.29Å; L61-A77 HydrophobicContact CB-CB 4.05Å; L61-A77 HydrophobicContact CD1-CB 3.82Å
62	N	71.2	Confident	76.6	Confident	108 Å²	108	65.5 Å²	65.5	58%	0.578	38%	0.377	S	S	*	.			trans	-102.1	89.5	179.3	-171.9	12.8	0	0	0	111.6	L113	N62-L113 HydrophobicContact CB-CD1 4.08Å; N62-L113 HydrophobicContact CB-CD2 3.61Å; N62-L113 HydrophobicContact CB-CG 4.47Å; N62-L113 VanDerWaalsContact CG-CD1 3.46Å
63	V	64.1	Low	76.5	Confident	11 Å²	11	66.8 Å²	66.8	7%	0.067	39%	0.385	C	S	.	.			trans	-126.7	135.8	168.4	-86.7	0	0	0	0	109.9	Y52 K56 L61 V67 T69	Y52-V63 HydrophobicContact CE2-CG2 4.5Å; Y52-V63 WeakPolarHBondContact OH-CG2 3.22Å; K56-V63 PolarHBondContact NZ-O 2.92Å; L61-V63 HydrophobicContact CD2-CG2 4.18Å; L61-V63 HydrophobicContact CG-CG2 4.13Å; V63-V67 HydrophobicContact CG1-CG1 4.41Å; V63-T69 WeakPolarHBondContact CG1-OG1 3.35Å; V63-T69 WeakPolarHBondContact CG2-OG1 3.48Å
64	G	56.7	Low	76.7	Confident	44 Å²	44	63.4 Å²	63.4	45%	0.454	37%	0.369	S	S	.	.			trans	-51.8	154	171.4	0	0	0	0	0	111.5	D66 V67	G64-D66 PolarHBondContact O-N 3.19Å; G64-V67 PolarHBondContact O-N 3.39Å; G64-V67 VanDerWaalsContact O-N 3.14Å
65	A	54.8	Low	76.7	Confident	93 Å²	93	63.4 Å²	63.4	77%	0.769	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.9	-174.6	0	0	0	0	0	113.6
66	D	50.5	Low	76.6	Confident	164 Å²	164	68 Å²	68	88%	0.877	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	0.3	-174.1	-61.5	-34.6	0	0	0	114.6	G64	G64-D66 PolarHBondContact O-N 3.19Å
67	V	57	Low	76.9	Confident	84 Å²	84	64.5 Å²	64.5	51%	0.509	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-98	119.7	-177.7	-175.8	0	0	0	0	110.3	V63 G64 T69	V63-V67 HydrophobicContact CG1-CG1 4.41Å; G64-V67 PolarHBondContact O-N 3.39Å; G64-V67 VanDerWaalsContact O-N 3.14Å; V67-T69 PolarHBondContact O-N 3.33Å
68	S	66	Low	77.5	Confident	110 Å²	110	58.2 Å²	58.2	77%	0.769	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-64.8	123.9	169.8	-162	0	0	0	0	109.3
69	T	71.5	Confident	77.7	Confident	22 Å²	22	61.2 Å²	61.2	14%	0.135	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-70.9	132.9	177.8	-69.3	0	0	0	0	110.7	Y52 L61 V63 V67 Q73 F74	Y52-T69 HydrophobicContact CE2-CG2 4.25Å; Y52-T69 VanDerWaalsContact CE2-OG1 3.29Å; Y52-T69 WeakPolarHBondContact CE2-OG1 3.5Å; L61-T69 HydrophobicContact CD1-CG2 3.7Å; L61-T69 HydrophobicContact CD2-CG2 3.97Å; L61-T69 HydrophobicContact CG-CG2 4.36Å; V63-T69 WeakPolarHBondContact CG1-OG1 3.35Å; V63-T69 WeakPolarHBondContact CG2-OG1 3.48Å; V67-T69 PolarHBondContact O-N 3.33Å; T69-Q73 HydrophobicContact CG2-CB 3.76Å; T69-F74 HydrophobicContact CG2-CB 4.05Å
70	T	81.8	Confident	78	Confident	73 Å²	73	62.9 Å²	62.9	45%	0.448	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-73.6	151.5	173.8	63.7	0	0	0	0	111.2	A72 Q73 F74	T70-A72 PolarHBondContact O-N 3.39Å; T70-A72 VanDerWaalsContact O-N 3.12Å; T70-Q73 PolarHBondContact O-N 3.24Å; T70-Q73 WeakPolarHBondContact OG1-CB 3.36Å; T70-Q73 VanDerWaalsContact OG1-CG 3.25Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.43Å; T70-Q73 PolarHBondContact OG1-N 2.84Å; T70-Q73 PolarHBondContact OG1-OE1 3.5Å; T70-F74 PolarHBondContact O-N 2.83Å
71	D	83.4	Confident	78.2	Confident	147 Å²	147	62 Å²	62	79%	0.786	38%	0.376	S	S	*	.	H	α-helix	trans	-54.6	-33.1	174.1	-68	-21.1	0	0	0	112.1	A75	D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.47Å; D71-A75 PolarHBondContact O-N 2.79Å
72	A	84	Confident	78.7	Confident	74 Å²	74	61.6 Å²	61.6	61%	0.612	37%	0.374	S	S	*	.	H	α-helix	trans	-66.3	-45.4	176.2	0	0	0	0	0	112.7	T70 A75 E76	T70-A72 PolarHBondContact O-N 3.39Å; T70-A72 VanDerWaalsContact O-N 3.12Å; A72-A75 PolarHBondContact O-N 3.12Å; A72-E76 WeakPolarHBondContact O-CB 3.38Å; A72-E76 PolarHBondContact O-N 3.07Å
73	Q	85.6	Confident	79.7	Confident	79 Å²	79	62.8 Å²	62.8	37%	0.369	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-40.7	175.8	-75.9	166.1	-43.4	0	0	111.6	L61 T69 T70 E76 A77	L61-Q73 HydrophobicContact CD1-CB 4.29Å; T69-Q73 HydrophobicContact CG2-CB 3.76Å; T70-Q73 PolarHBondContact O-N 3.24Å; T70-Q73 WeakPolarHBondContact OG1-CB 3.36Å; T70-Q73 VanDerWaalsContact OG1-CG 3.25Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.43Å; T70-Q73 PolarHBondContact OG1-N 2.84Å; T70-Q73 PolarHBondContact OG1-OE1 3.5Å; Q73-E76 PolarHBondContact O-N 2.87Å; Q73-A77 WeakPolarHBondContact O-CB 3.18Å; Q73-A77 PolarHBondContact O-N 2.74Å
74	F	89.4	Confident	80.9	Confident	32 Å²	32	62.6 Å²	62.6	14%	0.14	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-45	176.3	-177.5	-105.6	0	0	0	111.9	A51 Y52 L55 T69 T70 E76 A77 L78	A51-F74 HydrophobicContact CB-CE2 4.3Å; A51-F74 HydrophobicContact CB-CZ 3.98Å; Y52-F74 HydrophobicContact CD2-CD2 4.48Å; L55-F74 HydrophobicContact CD1-CD2 3.94Å; L55-F74 HydrophobicContact CD1-CE2 3.65Å; L55-F74 HydrophobicContact CD1-CZ 4.38Å; T69-F74 HydrophobicContact CG2-CB 4.05Å; T70-F74 PolarHBondContact O-N 2.83Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 3.09Å; F74-A77 PolarHBondContact O-N 2.78Å; F74-L78 HydrophobicContact CD1-CD1 3.83Å; F74-L78 HydrophobicContact CE1-CD1 3.42Å; F74-L78 VanDerWaalsContact CE1-CD1 3.42Å; F74-L78 HydrophobicContact CE1-CG 4.23Å; F74-L78 HydrophobicContact CZ-CD1 3.92Å; F74-L78 HydrophobicContact CZ-CG 4.33Å; F74-L78 WeakPolarHBondContact O-CG 3.41Å; F74-L78 PolarHBondContact O-N 2.64Å
75	A	90.4	Very high	82.5	Confident	28 Å²	28	60.7 Å²	60.7	23%	0.231	35%	0.354	C	S	.	.	H	α-helix	trans	-63	-37.9	176.4	0	0	0	0	0	112.2	D71 A72 L78 K79 G91	D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.47Å; D71-A75 PolarHBondContact O-N 2.79Å; A72-A75 PolarHBondContact O-N 3.12Å; A75-L78 WeakPolarHBondContact O-CB 3.37Å; A75-L78 PolarHBondContact O-N 2.89Å; A75-K79 WeakPolarHBondContact O-CG 3.34Å; A75-K79 PolarHBondContact O-N 3.01Å; A75-K79 VanDerWaalsContact O-N 3.08Å; A75-G91 WeakPolarHBondContact O-CA 3.47Å
76	E	90.1	Very high	84.3	Confident	97 Å²	97	59.6 Å²	59.6	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-68.5	-45.6	177.2	-164.7	58.4	-154.6	0	0	111.9	A72 Q73 F74 L78 K79 V80	A72-E76 WeakPolarHBondContact O-CB 3.38Å; A72-E76 PolarHBondContact O-N 3.07Å; Q73-E76 PolarHBondContact O-N 2.87Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 3.09Å; E76-L78 PolarHBondContact O-N 3.28Å; E76-K79 WeakPolarHBondContact O-CB 3.38Å; E76-K79 PolarHBondContact O-N 2.96Å; E76-K79 IonicContact OE2-NZ 2.79Å; E76-K79 PolarHBondContact OE2-NZ 2.8Å; E76-V80 PolarHBondContact O-N 2.98Å; E76-V80 VanDerWaalsContact O-N 3.15Å
77	A	91.3	Very high	86.3	Confident	5 Å²	5	53.4 Å²	53.4	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-56.7	-39.7	173.3	0	0	0	0	0	111.9	L55 Y60 L61 Q73 F74 V80 F81	L55-A77 HydrophobicContact CB-CB 4.46Å; L55-A77 HydrophobicContact CD1-CB 3.98Å; L55-A77 HydrophobicContact CD2-CB 4.46Å; Y60-A77 VanDerWaalsContact O-CB 3.24Å; Y60-A77 WeakPolarHBondContact O-CB 3.47Å; L61-A77 HydrophobicContact CB-CB 4.05Å; L61-A77 HydrophobicContact CD1-CB 3.82Å; Q73-A77 WeakPolarHBondContact O-CB 3.18Å; Q73-A77 PolarHBondContact O-N 2.74Å; F74-A77 PolarHBondContact O-N 2.78Å; A77-V80 PolarHBondContact O-N 2.89Å; A77-F81 PolarHBondContact O-N 2.68Å
78	L	93.9	Very high	88.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-39	174.7	-80.4	173.4	0	0	0	113.2	L55 F74 A75 E76 F81 Q82 G91 L93 T97 M101	L55-L78 HydrophobicContact CD1-CD2 3.89Å; L55-L78 HydrophobicContact CD1-CG 3.89Å; L55-L78 HydrophobicContact CD2-CD2 4.47Å; F74-L78 HydrophobicContact CD1-CD1 3.83Å; F74-L78 HydrophobicContact CE1-CD1 3.42Å; F74-L78 VanDerWaalsContact CE1-CD1 3.42Å; F74-L78 HydrophobicContact CE1-CG 4.23Å; F74-L78 HydrophobicContact CZ-CD1 3.92Å; F74-L78 HydrophobicContact CZ-CG 4.33Å; F74-L78 WeakPolarHBondContact O-CG 3.41Å; F74-L78 PolarHBondContact O-N 2.64Å; A75-L78 WeakPolarHBondContact O-CB 3.37Å; A75-L78 PolarHBondContact O-N 2.89Å; E76-L78 PolarHBondContact O-N 3.28Å; L78-F81 PolarHBondContact O-N 2.93Å; L78-Q82 VanDerWaalsContact O-CB 3.32Å; L78-Q82 WeakPolarHBondContact O-CB 3.39Å; L78-Q82 WeakPolarHBondContact O-CG 3.44Å; L78-Q82 PolarHBondContact O-N 2.87Å; L78-G91 WeakPolarHBondContact CD1-O 2.96Å; L78-L93 HydrophobicContact CD1-CB 4.08Å; L78-L93 HydrophobicContact CD2-CD1 4Å; L78-T97 HydrophobicContact CD2-CG2 4.15Å; L78-M101 HydrophobicContact CD2-CE 3.75Å
79	K	92.8	Very high	89.5	Confident	76 Å²	76	52.3 Å²	52.3	33%	0.33	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-45.3	177.5	-72.5	178.9	-158.1	157	0	111.2	A75 E76 Q82 Q83 V89	A75-K79 WeakPolarHBondContact O-CG 3.34Å; A75-K79 PolarHBondContact O-N 3.01Å; A75-K79 VanDerWaalsContact O-N 3.08Å; E76-K79 WeakPolarHBondContact O-CB 3.38Å; E76-K79 PolarHBondContact O-N 2.96Å; E76-K79 IonicContact OE2-NZ 2.79Å; E76-K79 PolarHBondContact OE2-NZ 2.8Å; K79-Q82 PolarHBondContact O-N 3.43Å; K79-Q83 PolarHBondContact O-N 2.94Å; K79-V89 HydrophobicContact CB-CG1 3.62Å; K79-V89 HydrophobicContact CD-CG1 4.31Å; K79-V89 HydrophobicContact CG-CG1 3.78Å
80	V	90.9	Very high	90.6	Very high	46 Å²	46	53.7 Å²	53.7	28%	0.279	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-45.5	178.9	-172.6	0	0	0	0	110.1	Y60 E76 A77 Q82 Q83 V84 I111	Y60-V80 HydrophobicContact CD1-CB 4.01Å; Y60-V80 HydrophobicContact CD1-CG1 3.91Å; Y60-V80 HydrophobicContact CE1-CB 4.41Å; Y60-V80 HydrophobicContact CE1-CG1 4.02Å; E76-V80 PolarHBondContact O-N 2.98Å; E76-V80 VanDerWaalsContact O-N 3.15Å; A77-V80 PolarHBondContact O-N 2.89Å; V80-Q82 VanDerWaalsContact C-N 3.34Å; V80-Q82 PolarHBondContact O-N 3.22Å; V80-Q83 WeakPolarHBondContact O-CB 3.39Å; V80-Q83 PolarHBondContact O-N 3Å; V80-V84 WeakPolarHBondContact O-CG2 3.41Å; V80-V84 PolarHBondContact O-N 3.27Å; V80-I111 HydrophobicContact CB-CD1 4.47Å; V80-I111 HydrophobicContact CG1-CD1 3.45Å; V80-I111 VanDerWaalsContact CG1-CD1 3.45Å
81	F	93.5	Very high	91.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-47.1	172.7	169.6	-103.1	0	0	0	112.5	Y54 L55 Y60 A77 L78 Q83 V84 A85 L87 T97 R100 M101 F252	Y54-F81 AromaticContact CE1-CD2 3.83Å; Y54-F81 HydrophobicContact CE1-CD2 3.83Å; Y54-F81 AromaticContact CE1-CE2 3.5Å; Y54-F81 HydrophobicContact CE1-CE2 3.5Å; Y54-F81 VanDerWaalsContact CE1-CE2 3.5Å; Y54-F81 HydrophobicContact CE1-CZ 4.1Å; Y54-F81 AromaticContact CZ-CE2 3.88Å; Y54-F81 WeakPolarHBondContact OH-CE2 3.46Å; L55-F81 HydrophobicContact CD2-CB 3.66Å; L55-F81 HydrophobicContact CD2-CG 4.15Å; Y60-F81 HydrophobicContact CD1-CB 3.99Å; Y60-F81 HydrophobicContact CD2-CB 4.32Å; Y60-F81 HydrophobicContact CD2-CD2 4.42Å; Y60-F81 HydrophobicContact CE1-CB 3.92Å; Y60-F81 HydrophobicContact CE2-CB 4.27Å; Y60-F81 AromaticContact CE2-CD2 3.79Å; Y60-F81 HydrophobicContact CE2-CD2 3.79Å; Y60-F81 HydrophobicContact CG-CB 4.17Å; Y60-F81 AromaticContact CZ-CD2 3.84Å; A77-F81 PolarHBondContact O-N 2.68Å; L78-F81 PolarHBondContact O-N 2.93Å; F81-Q83 VanDerWaalsContact C-N 3.26Å; F81-Q83 PolarHBondContact O-N 3.4Å; F81-V84 PolarHBondContact O-N 3.06Å; F81-A85 HydrophobicContact CD2-CB 4.48Å; F81-A85 HydrophobicContact CE1-CB 4.16Å; F81-A85 HydrophobicContact CE2-CB 4.05Å; F81-A85 HydrophobicContact CZ-CB 3.88Å; F81-A85 WeakPolarHBondContact O-CB 3.42Å; F81-A85 PolarHBondContact O-N 2.85Å; F81-L87 HydrophobicContact CE1-CD1 4.29Å; F81-T97 HydrophobicContact CD1-CG2 3.86Å; F81-T97 HydrophobicContact CE1-CG2 3.63Å; F81-R100 HydrophobicContact CZ-CG 4.26Å; F81-M101 HydrophobicContact CD1-CE 3.54Å; F81-M101 HydrophobicContact CD1-CG 4.44Å; F81-M101 HydrophobicContact CE1-CE 3.62Å; F81-M101 HydrophobicContact CE1-CG 3.58Å; F81-M101 HydrophobicContact CE1-SD 4.39Å; F81-M101 HydrophobicContact CE2-CG 4.22Å; F81-M101 HydrophobicContact CG-CE 4.05Å; F81-M101 HydrophobicContact CZ-CB 4.46Å; F81-M101 HydrophobicContact CZ-CE 4.19Å; F81-M101 HydrophobicContact CZ-CG 3.44Å; F81-M101 VanDerWaalsContact CZ-CG 3.44Å; F81-F252 HydrophobicContact CE2-CE2 4.36Å; F81-F252 AromaticContact CE2-CZ 3.9Å; F81-F252 HydrophobicContact CE2-CZ 3.9Å; F81-F252 HydrophobicContact CZ-CZ 4.15Å
82	Q	94.6	Very high	91.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-38.6	179.5	-76.9	167.2	-17.1	0	0	111.6	L78 K79 V80 A85 S86 L87 P88 V89 T90 V92 T97	L78-Q82 VanDerWaalsContact O-CB 3.32Å; L78-Q82 WeakPolarHBondContact O-CB 3.39Å; L78-Q82 WeakPolarHBondContact O-CG 3.44Å; L78-Q82 PolarHBondContact O-N 2.87Å; K79-Q82 PolarHBondContact O-N 3.43Å; V80-Q82 VanDerWaalsContact C-N 3.34Å; V80-Q82 PolarHBondContact O-N 3.22Å; Q82-A85 PolarHBondContact O-N 3.08Å; Q82-S86 PolarHBondContact O-N 2.93Å; Q82-S86 VanDerWaalsContact O-N 3.1Å; Q82-L87 HydrophobicContact CB-CB 4.11Å; Q82-L87 HydrophobicContact CG-CB 4.21Å; Q82-L87 HydrophobicContact CG-CD1 4.4Å; Q82-L87 PolarHBondContact O-N 2.96Å; Q82-P88 PolarHBondContact OE1-O 3.22Å; Q82-V89 HydrophobicContact CB-CG2 4.46Å; Q82-T90 PolarHBondContact NE2-OG1 2.87Å; Q82-T90 PolarHBondContact OE1-OG1 2.84Å; Q82-V92 PolarHBondContact NE2-O 2.88Å; Q82-T97 HydrophobicContact CG-CG2 4.34Å; Q82-T97 PolarHBondContact NE2-OG1 2.94Å
83	Q	91.1	Very high	92	Very high	133 Å²	133	45.4 Å²	45.4	62%	0.621	26%	0.255	S	S	*	.	H	α-helix	trans	-62.1	-52.9	175.1	-176	176.3	-4.6	0	0	111.7	K79 V80 F81 A85 S86 V89	K79-Q83 PolarHBondContact O-N 2.94Å; V80-Q83 WeakPolarHBondContact O-CB 3.39Å; V80-Q83 PolarHBondContact O-N 3Å; F81-Q83 VanDerWaalsContact C-N 3.26Å; F81-Q83 PolarHBondContact O-N 3.4Å; Q83-A85 VanDerWaalsContact C-N 3.28Å; Q83-A85 PolarHBondContact O-N 2.82Å; Q83-S86 PolarHBondContact O-N 2.97Å; Q83-V89 HydrophobicContact CB-CG2 4.04Å
84	V	89.3	Confident	92.3	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-40.3	178.4	178.7	0	0	0	0	111.4	Y60 V80 F81 S86 M243 P251	Y60-V84 HydrophobicContact CE1-CB 4.43Å; Y60-V84 HydrophobicContact CE1-CG2 4.01Å; Y60-V84 WeakPolarHBondContact OH-CB 3.46Å; Y60-V84 WeakPolarHBondContact OH-CG1 3.17Å; V80-V84 WeakPolarHBondContact O-CG2 3.41Å; V80-V84 PolarHBondContact O-N 3.27Å; F81-V84 PolarHBondContact O-N 3.06Å; V84-S86 PolarHBondContact O-N 3.32Å; V84-M243 HydrophobicContact CB-SD 4.28Å; V84-M243 HydrophobicContact CG1-SD 3.99Å; V84-M243 HydrophobicContact CG2-CE 4.4Å; V84-M243 HydrophobicContact CG2-CG 4.47Å; V84-M243 HydrophobicContact CG2-SD 3.29Å; V84-M243 WeakPolarHBondContact CG2-SD 3.36Å; V84-P251 HydrophobicContact CG1-CG 3.93Å
85	A	91.6	Very high	92.4	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1	179.1	0	0	0	0	0	113.9	F81 Q82 Q83 L87 R100 F252	F81-A85 HydrophobicContact CD2-CB 4.48Å; F81-A85 HydrophobicContact CE1-CB 4.16Å; F81-A85 HydrophobicContact CE2-CB 4.05Å; F81-A85 HydrophobicContact CZ-CB 3.88Å; F81-A85 WeakPolarHBondContact O-CB 3.42Å; F81-A85 PolarHBondContact O-N 2.85Å; Q82-A85 PolarHBondContact O-N 3.08Å; Q83-A85 VanDerWaalsContact C-N 3.28Å; Q83-A85 PolarHBondContact O-N 2.82Å; A85-L87 VanDerWaalsContact C-N 3.29Å; A85-L87 HydrophobicContact CB-CD1 4.03Å; A85-L87 HydrophobicContact CB-CG 4.04Å; A85-L87 PolarHBondContact O-N 3.39Å; A85-R100 HydrophobicContact CB-CG 3.83Å; A85-F252 HydrophobicContact CB-CE2 3.94Å; A85-F252 HydrophobicContact CB-CZ 4.34Å
86	S	91.1	Very high	92.5	Very high	71 Å²	71	46.4 Å²	46.4	50%	0.497	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	41.9	-175.8	-61.8	0	0	0	0	113.6	Q82 Q83 V84 S245	Q82-S86 PolarHBondContact O-N 2.93Å; Q82-S86 VanDerWaalsContact O-N 3.1Å; Q83-S86 PolarHBondContact O-N 2.97Å; V84-S86 PolarHBondContact O-N 3.32Å; S86-S245 WeakPolarHBondContact OG-CB 3.03Å; S86-S245 PolarHBondContact OG-OG 2.86Å
87	L	93.6	Very high	92.7	Very high	34 Å²	34	41.8 Å²	41.8	18%	0.178	24%	0.243	C	C	.	.	S	Bend	trans	-103.8	160.8	173.6	-63	175.4	0	0	0	110.4	F81 Q82 A85 V89 R100	F81-L87 HydrophobicContact CE1-CD1 4.29Å; Q82-L87 HydrophobicContact CB-CB 4.11Å; Q82-L87 HydrophobicContact CG-CB 4.21Å; Q82-L87 HydrophobicContact CG-CD1 4.4Å; Q82-L87 PolarHBondContact O-N 2.96Å; A85-L87 VanDerWaalsContact C-N 3.29Å; A85-L87 HydrophobicContact CB-CD1 4.03Å; A85-L87 HydrophobicContact CB-CG 4.04Å; A85-L87 PolarHBondContact O-N 3.39Å; L87-V89 PolarHBondContact O-N 3.27Å; L87-R100 HydrophobicContact CD1-CB 3.9Å; L87-R100 HydrophobicContact CD1-CG 4.04Å; L87-R100 HydrophobicContact CG-CG 4.46Å
88	P	94.6	Very high	92.8	Very high	89 Å²	89	43.2 Å²	43.2	58%	0.578	25%	0.25	S	C	*	.			trans	-55.3	123.3	168.4	-25.2	35	0	0	0	111.6	Q82 T90	Q82-P88 PolarHBondContact OE1-O 3.22Å; P88-T90 HydrophobicContact CB-CG2 4.19Å; P88-T90 PolarHBondContact O-N 3.49Å
89	V	95.3	Very high	92.7	Very high	82 Å²	82	48 Å²	48	50%	0.497	27%	0.272	S	S	.	.			trans	-78	103.2	-178.9	-176.2	0	0	0	0	109.4	K79 Q82 Q83 L87	K79-V89 HydrophobicContact CB-CG1 3.62Å; K79-V89 HydrophobicContact CD-CG1 4.31Å; K79-V89 HydrophobicContact CG-CG1 3.78Å; Q82-V89 HydrophobicContact CB-CG2 4.46Å; Q83-V89 HydrophobicContact CB-CG2 4.04Å; L87-V89 PolarHBondContact O-N 3.27Å
90	T	95.2	Very high	92.7	Very high	50 Å²	50	47.2 Å²	47.2	31%	0.307	27%	0.267	S	S	.	.			trans	-127	-25.4	-170.6	57.4	0	0	0	0	112.2	C24 Q82 P88 V92	C24-T90 WeakPolarHBondContact SG-CG2 3.46Å; Q82-T90 PolarHBondContact NE2-OG1 2.87Å; Q82-T90 PolarHBondContact OE1-OG1 2.84Å; P88-T90 HydrophobicContact CB-CG2 4.19Å; P88-T90 PolarHBondContact O-N 3.49Å; T90-V92 PolarHBondContact O-N 2.84Å; T90-V92 PolarHBondContact OG1-N 3.3Å
91	G	92.8	Very high	92.8	Very high	10 Å²	10	46.1 Å²	46.1	10%	0.103	26%	0.259	C	S	.	.	S	Bend	trans	70.4	10	-172.3	0	0	0	0	0	113.8	A75 L78	A75-G91 WeakPolarHBondContact O-CA 3.47Å; L78-G91 WeakPolarHBondContact CD1-O 2.96Å
92	V	92.5	Very high	92.6	Very high	82 Å²	82	50.5 Å²	50.5	50%	0.497	29%	0.289	S	S	.	.	S	Bend	trans	-111.5	132.7	-178.9	-179.8	0	0	0	0	109.9	Q82 T90 C94	Q82-V92 PolarHBondContact NE2-O 2.88Å; T90-V92 PolarHBondContact O-N 2.84Å; T90-V92 PolarHBondContact OG1-N 3.3Å; V92-C94 VanDerWaalsContact C-N 3.32Å; V92-C94 PolarHBondContact O-N 2.68Å
93	L	92.2	Very high	92.4	Very high	29 Å²	29	54.3 Å²	54.3	15%	0.152	31%	0.307	C	S	.	.			trans	-73.6	84	175.9	-171.5	66.1	0	0	0	110.7	T47 N48 A51 L78 T97 I98 M101	T47-L93 HydrophobicContact CG2-CD2 3.98Å; N48-L93 WeakPolarHBondContact OD1-CD2 3.44Å; A51-L93 HydrophobicContact CB-CD1 3.69Å; A51-L93 HydrophobicContact CB-CD2 3.55Å; A51-L93 HydrophobicContact CB-CG 4.28Å; L78-L93 HydrophobicContact CD1-CB 4.08Å; L78-L93 HydrophobicContact CD2-CD1 4Å; L93-T97 HydrophobicContact CD1-CG2 3.98Å; L93-I98 HydrophobicContact CD1-CG1 3.81Å; L93-I98 HydrophobicContact CD2-CG1 4.41Å; L93-I98 HydrophobicContact CG-CD1 4.12Å; L93-I98 HydrophobicContact CG-CG1 3.86Å; L93-M101 HydrophobicContact CD1-CE 4.35Å; L93-M101 HydrophobicContact CD1-SD 4.06Å
94	C	91.5	Very high	92.2	Very high	17 Å²	17	50.6 Å²	50.6	12%	0.115	30%	0.295	C	S	.	.			trans	-92.2	167.7	179.2	75	0	0	0	0	112.4	V92 K96 T97 I98	V92-C94 VanDerWaalsContact C-N 3.32Å; V92-C94 PolarHBondContact O-N 2.68Å; C94-K96 VanDerWaalsContact C-N 3.29Å; C94-K96 PolarHBondContact O-N 3.03Å; C94-T97 WeakPolarHBondContact O-CA 3.29Å; C94-T97 WeakPolarHBondContact O-CB 3.31Å; C94-T97 PolarHBondContact O-N 3.02Å; C94-T97 PolarHBondContact SG-OG1 3.05Å; C94-I98 WeakPolarHBondContact O-CG1 3.38Å; C94-I98 PolarHBondContact O-N 2.84Å
95	A	91.7	Very high	92.3	Very high	54 Å²	54	50.4 Å²	50.4	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-55.2	-40.2	-179.2	0	0	0	0	0	113.4	T97 I98 E99	A95-T97 VanDerWaalsContact C-N 3.35Å; A95-I98 PolarHBondContact O-N 2.83Å; A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.97Å
96	K	92.9	Very high	92.4	Very high	88 Å²	88	50.3 Å²	50.3	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-36.4	176.3	-67.4	-177.5	179.1	179.4	0	112.5	C94 R100	C94-K96 VanDerWaalsContact C-N 3.29Å; C94-K96 PolarHBondContact O-N 3.03Å; K96-R100 WeakPolarHBondContact O-CB 3.22Å; K96-R100 PolarHBondContact O-N 3.31Å
97	T	94.1	Very high	92.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-45.7	175.7	-57	0	0	0	0	110	L78 F81 Q82 L93 C94 A95 R100 M101	L78-T97 HydrophobicContact CD2-CG2 4.15Å; F81-T97 HydrophobicContact CD1-CG2 3.86Å; F81-T97 HydrophobicContact CE1-CG2 3.63Å; Q82-T97 HydrophobicContact CG-CG2 4.34Å; Q82-T97 PolarHBondContact NE2-OG1 2.94Å; L93-T97 HydrophobicContact CD1-CG2 3.98Å; C94-T97 WeakPolarHBondContact O-CA 3.29Å; C94-T97 WeakPolarHBondContact O-CB 3.31Å; C94-T97 PolarHBondContact O-N 3.02Å; C94-T97 PolarHBondContact SG-OG1 3.05Å; A95-T97 VanDerWaalsContact C-N 3.35Å; T97-R100 PolarHBondContact O-N 3.28Å; T97-M101 HydrophobicContact CG2-CE 3.99Å; T97-M101 HydrophobicContact CG2-SD 4.38Å; T97-M101 VanDerWaalsContact O-CG 3.31Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 3.18Å
98	I	93.6	Very high	92	Very high	35 Å²	35	47 Å²	47	18%	0.179	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-44.6	177.5	-64.1	161.5	0	0	0	111.3	L39 T47 L93 C94 A95 R100 M101 S102	L39-I98 HydrophobicContact CD2-CG2 4.36Å; T47-I98 HydrophobicContact CG2-CD1 3.56Å; T47-I98 HydrophobicContact CG2-CG1 4.1Å; L93-I98 HydrophobicContact CD1-CG1 3.81Å; L93-I98 HydrophobicContact CD2-CG1 4.41Å; L93-I98 HydrophobicContact CG-CD1 4.12Å; L93-I98 HydrophobicContact CG-CG1 3.86Å; C94-I98 WeakPolarHBondContact O-CG1 3.38Å; C94-I98 PolarHBondContact O-N 2.84Å; A95-I98 PolarHBondContact O-N 2.83Å; I98-R100 VanDerWaalsContact C-N 3.32Å; I98-R100 PolarHBondContact O-N 2.75Å; I98-M101 PolarHBondContact O-N 3.23Å; I98-S102 PolarHBondContact O-N 2.82Å; I98-S102 PolarHBondContact O-OG 3.06Å
99	E	91.7	Very high	91.6	Very high	101 Å²	101	45.1 Å²	45.1	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-46.8	176.2	-179	176.9	-166.2	0	0	111	A95 S102	A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.97Å; E99-S102 WeakPolarHBondContact O-CB 3.25Å; E99-S102 PolarHBondContact O-N 3.08Å; E99-S102 VanDerWaalsContact O-N 3.11Å
100	R	92.4	Very high	91.3	Very high	59 Å²	59	41.5 Å²	41.5	22%	0.223	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-40.7	177	-170.1	53	162.6	173	3.1	112.5	F81 A85 L87 K96 T97 I98 S102 Q103 F252	F81-R100 HydrophobicContact CZ-CG 4.26Å; A85-R100 HydrophobicContact CB-CG 3.83Å; L87-R100 HydrophobicContact CD1-CB 3.9Å; L87-R100 HydrophobicContact CD1-CG 4.04Å; L87-R100 HydrophobicContact CG-CG 4.46Å; K96-R100 WeakPolarHBondContact O-CB 3.22Å; K96-R100 PolarHBondContact O-N 3.31Å; T97-R100 PolarHBondContact O-N 3.28Å; I98-R100 VanDerWaalsContact C-N 3.32Å; I98-R100 PolarHBondContact O-N 2.75Å; R100-S102 PolarHBondContact O-N 3.42Å; R100-Q103 PolarHBondContact O-N 3.5Å; R100-F252 HydrophobicContact CG-CE1 4.12Å; R100-F252 HydrophobicContact CG-CE2 4.49Å; R100-F252 HydrophobicContact CG-CZ 3.89Å; R100-F252 VanDerWaalsContact CZ-CG 3.47Å; R100-F252 WeakPolarHBondContact O-CE1 3.37Å
101	M	92.8	Very high	90.7	Very high	22 Å²	22	41.4 Å²	41.4	11%	0.108	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-21.9	173.5	-73.2	178.9	169.6	0	0	113.2	A51 Y54 L55 L78 F81 L93 T97 I98	A51-M101 HydrophobicContact CB-CE 4.44Å; A51-M101 HydrophobicContact CB-SD 4.04Å; Y54-M101 HydrophobicContact CD1-CE 3.91Å; Y54-M101 HydrophobicContact CD1-CG 3.94Å; Y54-M101 HydrophobicContact CD1-SD 4.11Å; Y54-M101 HydrophobicContact CD2-CB 4.12Å; Y54-M101 HydrophobicContact CD2-CG 4.35Å; Y54-M101 HydrophobicContact CE1-CB 4.41Å; Y54-M101 HydrophobicContact CE1-CE 4.27Å; Y54-M101 HydrophobicContact CE1-CG 3.79Å; Y54-M101 HydrophobicContact CE2-CB 3.9Å; Y54-M101 HydrophobicContact CE2-CG 4.18Å; Y54-M101 WeakPolarHBondContact CE2-O 3.44Å; Y54-M101 HydrophobicContact CG-CB 4.45Å; Y54-M101 HydrophobicContact CG-CG 4.23Å; Y54-M101 HydrophobicContact CG-SD 4.29Å; L55-M101 HydrophobicContact CD2-CE 3.92Å; L55-M101 HydrophobicContact CG-CE 4.15Å; L78-M101 HydrophobicContact CD2-CE 3.75Å; F81-M101 HydrophobicContact CD1-CE 3.54Å; F81-M101 HydrophobicContact CD1-CG 4.44Å; F81-M101 HydrophobicContact CE1-CE 3.62Å; F81-M101 HydrophobicContact CE1-CG 3.58Å; F81-M101 HydrophobicContact CE1-SD 4.39Å; F81-M101 HydrophobicContact CE2-CG 4.22Å; F81-M101 HydrophobicContact CG-CE 4.05Å; F81-M101 HydrophobicContact CZ-CB 4.46Å; F81-M101 HydrophobicContact CZ-CE 4.19Å; F81-M101 HydrophobicContact CZ-CG 3.44Å; F81-M101 VanDerWaalsContact CZ-CG 3.44Å; L93-M101 HydrophobicContact CD1-CE 4.35Å; L93-M101 HydrophobicContact CD1-SD 4.06Å; T97-M101 HydrophobicContact CG2-CE 3.99Å; T97-M101 HydrophobicContact CG2-SD 4.38Å; T97-M101 VanDerWaalsContact O-CG 3.31Å; T97-M101 WeakPolarHBondContact O-CG 3.37Å; T97-M101 PolarHBondContact O-N 3.18Å; I98-M101 PolarHBondContact O-N 3.23Å
102	S	90.3	Very high	89.5	Confident	92 Å²	92	43.1 Å²	43.1	64%	0.643	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.4	-179.5	-52.9	0	0	0	0	113.3	I98 E99 R100	I98-S102 PolarHBondContact O-N 2.82Å; I98-S102 PolarHBondContact O-OG 3.06Å; E99-S102 WeakPolarHBondContact O-CB 3.25Å; E99-S102 PolarHBondContact O-N 3.08Å; E99-S102 VanDerWaalsContact O-N 3.11Å; R100-S102 PolarHBondContact O-N 3.42Å
103	Q	89.5	Confident	88	Confident	81 Å²	81	43.6 Å²	43.6	38%	0.379	24%	0.238	S	C	.	.	S	Bend	trans	-80.9	148.2	179.2	-71.1	-179.2	-21.5	0	0	111.8	R100 F252	R100-Q103 PolarHBondContact O-N 3.5Å; Q103-F252 HydrophobicContact CB-CD1 4.41Å; Q103-F252 HydrophobicContact CB-CE1 4.48Å
104	P	88.3	Confident	86.2	Confident	55 Å²	55	44.4 Å²	44.4	36%	0.357	25%	0.247	S	C	.	.			trans	-58.1	142.8	171.3	-22	33.1	0	0	0	111.8	G193 L195	P104-G193 WeakPolarHBondContact CA-O 3.28Å; P104-G193 WeakPolarHBondContact CB-O 3.37Å; P104-L195 HydrophobicContact CB-CD1 3.8Å; P104-L195 HydrophobicContact CB-CD2 3.92Å; P104-L195 HydrophobicContact CB-CG 3.88Å
105	R	91	Very high	84	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.011	27%	0.273	C	S	.	.			trans	-161.2	165.3	-176.1	56.4	173.6	-65.8	164	4.9	111.1	Y54 D110 G193 P251 F252 Y253	Y54-R105 WeakPolarHBondContact OH-CD 3.45Å; Y54-R105 PolarHBondContact OH-NH1 3.06Å; R105-D110 IonicContact CZ-OD1 2.72Å; R105-D110 IonicContact CZ-OD2 2.67Å; R105-D110 IonicContact NH1-OD2 3.41Å; R105-D110 PolarHBondContact NH1-OD2 2.88Å; R105-D110 IonicContact NH2-OD1 3.62Å; R105-D110 PolarHBondContact NH2-OD1 3.39Å; R105-D110 IonicContact NH2-OD2 3.43Å; R105-D110 PolarHBondContact NH2-OD2 2.99Å; R105-G193 PolarHBondContact N-O 2.6Å; R105-P251 WeakPolarHBondContact CA-O 3.38Å; R105-P251 WeakPolarHBondContact CB-O 3.33Å; R105-F252 HydrophobicContact CB-CD1 4.02Å; R105-F252 HydrophobicContact CB-CE1 4.33Å; R105-Y253 VanDerWaalsContact C-CE2 3.41Å
106	C	92.6	Very high	81.8	Confident	1 Å²	1	53 Å²	53	1%	0.007	28%	0.278	C	S	.	.			trans	-62.9	139.4	171.7	175	0	0	0	0	110.3	Y58 A108 H235 H241 P251 Y253	Y58-C106 WeakPolarHBondContact CE1-O 3.29Å; C106-A108 VanDerWaalsContact C-N 3.31Å; C106-A108 VanDerWaalsContact SG-CB 3.6Å; C106-A108 PolarHBondContact SG-N 2.8Å; C106-A108 VanDerWaalsContact SG-N 3.44Å; C106-H235 PolarHBondContact SG-NE2 3.42Å; C106-H241 VanDerWaalsContact CB-NE2 3.29Å; C106-H241 WeakPolarHBondContact CB-NE2 3.45Å; C106-H241 PolarHBondContact SG-NE2 3.29Å; C106-P251 PolarHBondContact N-O 3.43Å; C106-Y253 WeakPolarHBondContact CA-OH 3.48Å; C106-Y253 HydrophobicContact CB-CE1 4.49Å
107	P	90.3	Very high	79.7	Confident	18 Å²	18	53.1 Å²	53.1	12%	0.117	28%	0.28	C	S	.	.			trans	-79.6	-9.8	-179.2	32.7	-35.4	0	0	0	113.6	I194 A196 H197	P107-I194 HydrophobicContact CB-CD1 4.33Å; P107-I194 HydrophobicContact CB-CG1 4.31Å; P107-I194 HydrophobicContact CB-CG2 3.92Å; P107-I194 HydrophobicContact CG-CG2 3.62Å; P107-A196 WeakPolarHBondContact CD-O 3.47Å; P107-H197 HydrophobicContact CG-CB 3.69Å
108	A	87.7	Confident	77.6	Confident	19 Å²	19	59 Å²	59	16%	0.157	31%	0.308	C	S	.	.	S	Bend	trans	-62.2	147.6	179.8	0	0	0	0	0	111.7	C106 H241	C106-A108 VanDerWaalsContact C-N 3.31Å; C106-A108 VanDerWaalsContact SG-CB 3.6Å; C106-A108 PolarHBondContact SG-N 2.8Å; C106-A108 VanDerWaalsContact SG-N 3.44Å; A108-H241 PolarHBondContact O-CE1 2.91Å; A108-H241 VanDerWaalsContact O-CE1 3.29Å
109	P	85.7	Confident	75.7	Confident	49 Å²	49	61.3 Å²	61.3	32%	0.318	32%	0.32	S	S	.	.			trans	-59.8	139.5	173.2	-22	33	0	0	0	111.6	Y112	P109-Y112 HydrophobicContact CB-CE1 4.2Å; P109-Y112 HydrophobicContact CG-CE1 4.23Å; P109-Y112 WeakPolarHBondContact O-CE2 3.39Å; P109-Y112 PolarHBondContact O-OH 3.37Å
110	D	88.7	Confident	74.6	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.032	30%	0.304	C	S	.	.	S	Bend	trans	-80.5	-36.5	174.8	-63.4	-22.3	0	0	0	110.7	Y58 Y60 R105 H241 M243 P251	Y58-D110 PolarHBondContact O-N 3.36Å; Y60-D110 HydrophobicContact CE1-CB 4.48Å; Y60-D110 HydrophobicContact CE2-CB 4.15Å; Y60-D110 WeakPolarHBondContact CE2-OD2 3.25Å; Y60-D110 PolarHBondContact OH-OD2 3.08Å; R105-D110 IonicContact CZ-OD1 2.72Å; R105-D110 IonicContact CZ-OD2 2.67Å; R105-D110 IonicContact NH1-OD2 3.41Å; R105-D110 PolarHBondContact NH1-OD2 2.88Å; R105-D110 IonicContact NH2-OD1 3.62Å; R105-D110 PolarHBondContact NH2-OD1 3.39Å; R105-D110 IonicContact NH2-OD2 3.43Å; R105-D110 PolarHBondContact NH2-OD2 2.99Å; D110-H241 IonicContact OD1-CE1 3.95Å; D110-H241 PolarHBondContact OD1-CE1 3.03Å; D110-H241 IonicContact OD1-CG 3.07Å; D110-H241 IonicContact OD1-ND1 2.68Å; D110-H241 PolarHBondContact OD1-ND1 3.42Å; D110-M243 WeakPolarHBondContact O-CE 3.44Å; D110-P251 WeakPolarHBondContact OD1-CB 3.44Å; D110-P251 WeakPolarHBondContact OD1-CG 3.3Å
111	I	81.8	Confident	73.9	Confident	48 Å²	48	55 Å²	55	25%	0.246	30%	0.295	C	S	.	.	S	Bend	trans	-122.9	126.2	-176.2	-57.3	172.5	0	0	0	108.1	Y60 V80 M243	Y60-I111 HydrophobicContact CD1-CD1 3.49Å; Y60-I111 VanDerWaalsContact CD1-CD1 3.49Å; Y60-I111 HydrophobicContact CD1-CG1 4.44Å; Y60-I111 HydrophobicContact CE1-CD1 3.76Å; Y60-I111 HydrophobicContact CE1-CG1 4.4Å; Y60-I111 HydrophobicContact CG-CD1 4.34Å; V80-I111 HydrophobicContact CB-CD1 4.47Å; V80-I111 HydrophobicContact CG1-CD1 3.45Å; V80-I111 VanDerWaalsContact CG1-CD1 3.45Å; I111-M243 HydrophobicContact CG1-CE 3.72Å
112	Y	68.8	Low	73.4	Confident	46 Å²	46	56.6 Å²	56.6	18%	0.18	30%	0.301	C	S	.	.			trans	-98.6	134.8	175.6	-65.1	-90	0	0	0	108.7	P109 E117 K240	P109-Y112 HydrophobicContact CB-CE1 4.2Å; P109-Y112 HydrophobicContact CG-CE1 4.23Å; P109-Y112 WeakPolarHBondContact O-CE2 3.39Å; P109-Y112 PolarHBondContact O-OH 3.37Å; Y112-E117 HydrophobicContact CD1-CB 3.98Å; Y112-E117 WeakPolarHBondContact CD1-O 3.49Å; Y112-E117 HydrophobicContact CG-CB 4.36Å; Y112-K240 HydrophobicContact CD2-CD 3.85Å; Y112-K240 HydrophobicContact CE2-CB 4.19Å; Y112-K240 HydrophobicContact CE2-CD 3.6Å; Y112-K240 HydrophobicContact CE2-CG 3.79Å
113	L	60	Low	73.1	Confident	91 Å²	91	52.5 Å²	52.5	48%	0.476	27%	0.271	S	S	.	.	S	Bend	trans	-87.5	-20.8	-162.8	-61.8	173.8	0	0	0	113.4	N62 E117	N62-L113 HydrophobicContact CB-CD1 4.08Å; N62-L113 HydrophobicContact CB-CD2 3.61Å; N62-L113 HydrophobicContact CB-CG 4.47Å; N62-L113 VanDerWaalsContact CG-CD1 3.46Å; L113-E117 PolarHBondContact N-OE2 3.38Å
114	S	54.3	Low	72.6	Confident	46 Å²	46	51.7 Å²	51.7	32%	0.322	28%	0.278	S	S	.	.	S	Bend	trans	-121.6	148.7	179.3	63.5	0	0	0	0	110.9	K116 E117 Q118	S114-K116 PolarHBondContact O-N 2.92Å; S114-K116 VanDerWaalsContact O-N 3.09Å; S114-E117 CarbonylContact O-C 3.47Å; S114-E117 WeakPolarHBondContact O-CA 3.37Å; S114-E117 PolarHBondContact O-N 2.82Å; S114-E117 WeakPolarHBondContact OG-CB 3.11Å; S114-E117 VanDerWaalsContact OG-CG 3.23Å; S114-E117 WeakPolarHBondContact OG-CG 3.5Å; S114-E117 PolarHBondContact OG-N 2.87Å; S114-E117 PolarHBondContact OG-OE2 2.86Å; S114-Q118 WeakPolarHBondContact O-CB 3.39Å; S114-Q118 PolarHBondContact O-N 3.06Å
115	D	46.7	Very low	72.3	Confident	126 Å²	126	51.2 Å²	51.2	67%	0.674	28%	0.276	S	S	*	.	H	α-helix	trans	-52.7	-32.3	167.8	-56.7	-29.3	0	0	0	110.5	E117 Q118 L119 Q340	D115-E117 VanDerWaalsContact C-N 3.34Å; D115-E117 PolarHBondContact O-N 3.46Å; D115-Q118 PolarHBondContact O-N 3.44Å; D115-L119 PolarHBondContact O-N 2.8Å; D115-Q340 PolarHBondContact O-NE2 2.86Å
116	K	44.1	Very low	72.1	Confident	125 Å²	125	53.1 Å²	53.1	54%	0.543	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-34.1	174.3	-77.6	-169.8	-178.2	-179.3	0	113.8	S114 S326 Q340	S114-K116 PolarHBondContact O-N 2.92Å; S114-K116 VanDerWaalsContact O-N 3.09Å; K116-S326 PolarHBondContact NZ-OG 2.7Å; K116-Q340 PolarHBondContact O-NE2 2.83Å
117	E	49.9	Very low	72	Confident	91 Å²	91	58.4 Å²	58.4	43%	0.425	32%	0.318	S	S	.	.	H	α-helix	trans	-92.8	-16.7	175.4	-73.4	172.8	153.7	0	0	112.4	Y112 L113 S114 D115 K240	Y112-E117 HydrophobicContact CD1-CB 3.98Å; Y112-E117 WeakPolarHBondContact CD1-O 3.49Å; Y112-E117 HydrophobicContact CG-CB 4.36Å; L113-E117 PolarHBondContact N-OE2 3.38Å; S114-E117 CarbonylContact O-C 3.47Å; S114-E117 WeakPolarHBondContact O-CA 3.37Å; S114-E117 PolarHBondContact O-N 2.82Å; S114-E117 WeakPolarHBondContact OG-CB 3.11Å; S114-E117 VanDerWaalsContact OG-CG 3.23Å; S114-E117 WeakPolarHBondContact OG-CG 3.5Å; S114-E117 PolarHBondContact OG-N 2.87Å; S114-E117 PolarHBondContact OG-OE2 2.86Å; D115-E117 VanDerWaalsContact C-N 3.34Å; D115-E117 PolarHBondContact O-N 3.46Å; E117-K240 PolarHBondContact O-NZ 3.19Å
118	Q	49.4	Very low	72.1	Confident	126 Å²	126	57.7 Å²	57.7	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-80	-29.3	-178.4	-170.5	175.7	6.3	0	0	112.8	S114 D115 K240	S114-Q118 WeakPolarHBondContact O-CB 3.39Å; S114-Q118 PolarHBondContact O-N 3.06Å; D115-Q118 PolarHBondContact O-N 3.44Å; Q118-K240 PolarHBondContact O-NZ 2.47Å
119	L	54.7	Low	72.4	Confident	83 Å²	83	58.3 Å²	58.3	44%	0.435	32%	0.315	S	S	.	.	S	Bend	trans	-77.5	148.4	170.2	-70.8	155.6	0	0	0	111.1	D115 K240	D115-L119 PolarHBondContact O-N 2.8Å; L119-K240 VanDerWaalsContact C-NZ 3.25Å; L119-K240 PolarHBondContact O-NZ 3.41Å
120	S	68.6	Low	72.8	Confident	20 Å²	20	56.3 Å²	56.3	14%	0.14	30%	0.301	C	S	.	.			trans	-118.5	153	-172.2	-153.3	0	0	0	0	112.4	G238	S120-G238 WeakPolarHBondContact CB-O 3.11Å; S120-G238 PolarHBondContact OG-O 3.06Å
121	S	77.3	Confident	72.9	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.042	30%	0.301	C	S	.	.			trans	-83.5	152	169.9	46.8	0	0	0	0	111	P201 Q202 G238	S121-P201 WeakPolarHBondContact O-CG 3.41Å; S121-Q202 WeakPolarHBondContact OG-CB 3.32Å; S121-Q202 VanDerWaalsContact OG-CG 3.3Å; S121-Q202 WeakPolarHBondContact OG-CG 3.45Å; S121-Q202 PolarHBondContact OG-N 2.65Å; S121-Q202 VanDerWaalsContact OG-N 3.16Å; S121-Q202 PolarHBondContact OG-OE1 3.11Å; S121-G238 WeakPolarHBondContact O-CA 3.41Å
122	Y	82.3	Confident	73.4	Confident	57 Å²	57	54.5 Å²	54.5	22%	0.224	29%	0.292	C	S	.	.			trans	-130.9	164.4	176.3	62.9	-85.3	0	0	0	109.6	P285 L341	Y122-P285 HydrophobicContact CE1-CG 4.22Å; Y122-L341 HydrophobicContact CD1-CD2 3.96Å; Y122-L341 HydrophobicContact CE1-CD1 4.23Å; Y122-L341 HydrophobicContact CE1-CD2 3.52Å; Y122-L341 HydrophobicContact CE1-CG 4.5Å
123	W	83.2	Confident	74.4	Confident	6 Å²	6	54.3 Å²	54.3	2%	0.023	30%	0.298	C	S	.	.			trans	-80.2	130	172.6	-63	94.4	0	0	0	111	S125 L128 N172 I173 P201 S236 Y275 W497	W123-S125 VanDerWaalsContact C-N 3.25Å; W123-S125 PolarHBondContact O-N 3.24Å; W123-L128 HydrophobicContact CB-CD1 3.93Å; W123-L128 HydrophobicContact CB-CD2 3.72Å; W123-L128 HydrophobicContact CB-CG 4.38Å; W123-L128 VanDerWaalsContact CD1-CD1 3.42Å; W123-L128 HydrophobicContact CD2-CD1 4.12Å; W123-L128 HydrophobicContact CD2-CD2 3.64Å; W123-L128 HydrophobicContact CE3-CD2 3.75Å; W123-L128 HydrophobicContact CG-CD1 3.56Å; W123-L128 HydrophobicContact CG-CD2 3.62Å; W123-L128 HydrophobicContact CG-CG 4.24Å; W123-N172 HydrophobicContact CE3-CB 4.37Å; W123-N172 HydrophobicContact CH2-CB 3.94Å; W123-N172 VanDerWaalsContact CH2-O 3.32Å; W123-N172 WeakPolarHBondContact CH2-O 3.29Å; W123-N172 HydrophobicContact CZ3-CB 3.76Å; W123-I173 HydrophobicContact CH2-CG1 4.2Å; W123-I173 HydrophobicContact CZ2-CD1 4.2Å; W123-I173 HydrophobicContact CZ2-CG1 3.62Å; W123-P201 HydrophobicContact CD2-CB 4.11Å; W123-P201 HydrophobicContact CD2-CG 4.49Å; W123-P201 HydrophobicContact CG-CB 4.27Å; W123-P201 HydrophobicContact CG-CG 4.31Å; W123-P201 HydrophobicContact CZ2-CB 4.33Å; W123-S236 PolarHBondContact NE1-O 2.84Å; W123-Y275 HydrophobicContact CB-CE1 4.3Å; W123-Y275 PolarHBondContact N-OH 3.42Å; W123-Y275 VanDerWaalsContact N-OH 3.07Å; W123-W497 HydrophobicContact CD2-CH2 4.02Å; W123-W497 AromaticContact CE3-CH2 3.33Å; W123-W497 HydrophobicContact CE3-CH2 3.33Å; W123-W497 AromaticContact CE3-CZ2 3.57Å; W123-W497 HydrophobicContact CE3-CZ2 3.57Å; W123-W497 AromaticContact CH2-CH2 3.99Å; W123-W497 HydrophobicContact CH2-CH2 3.99Å; W123-W497 HydrophobicContact CH2-CZ2 4.2Å; W123-W497 AromaticContact CZ3-CH2 3.32Å; W123-W497 HydrophobicContact CZ3-CH2 3.32Å; W123-W497 AromaticContact CZ3-CZ2 3.29Å; W123-W497 HydrophobicContact CZ3-CZ2 3.29Å
124	A	78.3	Confident	75.8	Confident	63 Å²	63	57.1 Å²	57.1	52%	0.521	30%	0.302	S	S	.	.	S	Bend	trans	-66.1	-29.3	174.3	0	0	0	0	0	112.7
125	S	82.1	Confident	77.7	Confident	46 Å²	46	58.7 Å²	58.7	32%	0.322	30%	0.301	S	S	.	.			trans	-89.3	134	177.4	-179.5	0	0	0	0	111.8	W123 N127	W123-S125 VanDerWaalsContact C-N 3.25Å; W123-S125 PolarHBondContact O-N 3.24Å; S125-N127 VanDerWaalsContact C-N 3.32Å; S125-N127 PolarHBondContact OG-N 2.99Å; S125-N127 PolarHBondContact OG-O 3.21Å
126	S	86.6	Confident	79.9	Confident	42 Å²	42	53.2 Å²	53.2	29%	0.294	27%	0.273	S	S	.	.	S	Bend	trans	-78.7	-15.5	168.2	-46.2	0	0	0	0	113.4	L161 R162	S126-L161 CarbonylContact O-C 3.54Å; S126-L161 VanDerWaalsContact O-CA 3.27Å; S126-L161 WeakPolarHBondContact O-CA 3.18Å; S126-R162 PolarHBondContact O-N 3.21Å
127	N	91.8	Very high	82.2	Confident	113 Å²	113	52.5 Å²	52.5	60%	0.604	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	107.2	175.1	-66.8	-65	0	0	0	108.8	S125	S125-N127 VanDerWaalsContact C-N 3.32Å; S125-N127 PolarHBondContact OG-N 2.99Å; S125-N127 PolarHBondContact OG-O 3.21Å
128	L	92.9	Very high	83.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.4	-176.9	-62.4	175.5	0	0	0	110.6	W123 R162 F163 K164 N172 L237	W123-L128 HydrophobicContact CB-CD1 3.93Å; W123-L128 HydrophobicContact CB-CD2 3.72Å; W123-L128 HydrophobicContact CB-CG 4.38Å; W123-L128 VanDerWaalsContact CD1-CD1 3.42Å; W123-L128 HydrophobicContact CD2-CD1 4.12Å; W123-L128 HydrophobicContact CD2-CD2 3.64Å; W123-L128 HydrophobicContact CE3-CD2 3.75Å; W123-L128 HydrophobicContact CG-CD1 3.56Å; W123-L128 HydrophobicContact CG-CD2 3.62Å; W123-L128 HydrophobicContact CG-CG 4.24Å; L128-R162 PolarHBondContact N-O 3.02Å; L128-F163 HydrophobicContact CB-CD1 3.75Å; L128-F163 HydrophobicContact CB-CE1 3.89Å; L128-F163 HydrophobicContact CD1-CD1 4.42Å; L128-F163 HydrophobicContact CD1-CE1 3.69Å; L128-F163 HydrophobicContact CD1-CZ 4.45Å; L128-F163 HydrophobicContact CG-CE1 4.36Å; L128-F163 CarbonylContact O-C 3.29Å; L128-F163 VanDerWaalsContact O-CA 3.27Å; L128-F163 WeakPolarHBondContact O-CA 3.45Å; L128-K164 PolarHBondContact O-N 2.96Å; L128-N172 HydrophobicContact CD2-CB 4.4Å; L128-L237 HydrophobicContact CD1-CD2 3.79Å
129	T	92.2	Very high	85.7	Confident	33 Å²	33	46.6 Å²	46.6	20%	0.202	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.6	177.3	61	0	0	0	0	110.5	K164 V166 A171 N172 I173	T129-K164 WeakPolarHBondContact CA-O 3.27Å; T129-V166 HydrophobicContact CG2-CG1 3.8Å; T129-V166 HydrophobicContact CG2-CG2 4.43Å; T129-A171 WeakPolarHBondContact OG1-CA 3.5Å; T129-N172 PolarHBondContact N-OD1 3.41Å; T129-N172 WeakPolarHBondContact O-CA 3.28Å; T129-N172 WeakPolarHBondContact O-CB 3.31Å; T129-N172 PolarHBondContact O-N 2.81Å; T129-N172 PolarHBondContact OG1-N 3.11Å; T129-N172 PolarHBondContact OG1-OD1 2.82Å; T129-I173 PolarHBondContact O-N 2.74Å
130	Y	94	Very high	87.4	Confident	7 Å²	7	46.3 Å²	46.3	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.6	176.7	72.4	-89.4	0	0	0	111.7	V148 F152 F163 K164 Q165 V166 I173 I175	Y130-V148 HydrophobicContact CD2-CG1 4.14Å; Y130-V148 HydrophobicContact CE2-CG1 3.64Å; Y130-F152 AromaticContact CD1-CD2 3.7Å; Y130-F152 HydrophobicContact CD1-CD2 3.7Å; Y130-F152 HydrophobicContact CD1-CE1 4.38Å; Y130-F152 AromaticContact CD1-CE2 3.4Å; Y130-F152 HydrophobicContact CD1-CE2 3.4Å; Y130-F152 HydrophobicContact CD1-CG 4.32Å; Y130-F152 AromaticContact CD1-CZ 3.78Å; Y130-F152 HydrophobicContact CD1-CZ 3.78Å; Y130-F152 HydrophobicContact CD2-CD2 4.27Å; Y130-F152 AromaticContact CD2-CE2 3.55Å; Y130-F152 HydrophobicContact CD2-CE2 3.55Å; Y130-F152 HydrophobicContact CD2-CZ 4.26Å; Y130-F152 AromaticContact CE1-CD2 3.52Å; Y130-F152 HydrophobicContact CE1-CD2 3.52Å; Y130-F152 AromaticContact CE1-CE2 3.69Å; Y130-F152 HydrophobicContact CE1-CE2 3.69Å; Y130-F152 HydrophobicContact CE1-CG 4.19Å; Y130-F152 HydrophobicContact CE1-CZ 4.45Å; Y130-F152 HydrophobicContact CE2-CD2 4.12Å; Y130-F152 AromaticContact CE2-CE2 3.84Å; Y130-F152 HydrophobicContact CE2-CE2 3.84Å; Y130-F152 HydrophobicContact CG-CD2 4.07Å; Y130-F152 AromaticContact CG-CE2 3.32Å; Y130-F152 HydrophobicContact CG-CE2 3.32Å; Y130-F152 AromaticContact CG-CZ 3.66Å; Y130-F152 HydrophobicContact CG-CZ 3.66Å; Y130-F152 AromaticContact CZ-CD2 3.74Å; Y130-F152 AromaticContact CZ-CE2 3.89Å; Y130-F163 HydrophobicContact CD1-CB 4.14Å; Y130-F163 HydrophobicContact CE1-CB 4.16Å; Y130-K164 PolarHBondContact N-O 2.94Å; Y130-Q165 HydrophobicContact CD2-CB 4.39Å; Y130-Q165 HydrophobicContact CD2-CG 4.15Å; Y130-Q165 HydrophobicContact CE1-CB 4.04Å; Y130-Q165 HydrophobicContact CE2-CB 3.79Å; Y130-Q165 HydrophobicContact CE2-CG 3.68Å; Y130-Q165 CarbonylContact O-C 3.58Å; Y130-Q165 VanDerWaalsContact O-CA 3.27Å; Y130-Q165 WeakPolarHBondContact O-CA 3.22Å; Y130-V166 PolarHBondContact O-N 3.01Å; Y130-I173 CarbonylContact C-O 3.52Å; Y130-I173 WeakPolarHBondContact CA-O 3.44Å; Y130-I173 WeakPolarHBondContact CB-O 3.38Å; Y130-I175 HydrophobicContact CD2-CD1 4.08Å
131	S	91.6	Very high	88.6	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.8	173.5	60.9	0	0	0	0	111.1	V166 S168 A171 I173 D174 I175	S131-V166 VanDerWaalsContact CB-O 3.3Å; S131-V166 WeakPolarHBondContact CB-O 3.12Å; S131-S168 WeakPolarHBondContact OG-CA 3.45Å; S131-A171 WeakPolarHBondContact OG-CB 3.45Å; S131-I173 PolarHBondContact N-O 2.92Å; S131-D174 PolarHBondContact OG-OD1 2.72Å; S131-I175 WeakPolarHBondContact O-CB 3Å; S131-I175 PolarHBondContact O-N 3.48Å
132	I	93.3	Very high	89.3	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	102.2	167.6	-54.9	173.7	0	0	0	107.1	Y135 I144 E145 V148 I175	I132-Y135 HydrophobicContact CB-CE1 4.22Å; I132-Y135 HydrophobicContact CB-CE2 3.9Å; I132-Y135 HydrophobicContact CD1-CE1 3.92Å; I132-Y135 HydrophobicContact CG2-CD1 3.98Å; I132-Y135 HydrophobicContact CG2-CD2 3.8Å; I132-Y135 HydrophobicContact CG2-CE1 3.92Å; I132-Y135 HydrophobicContact CG2-CE2 3.68Å; I132-Y135 HydrophobicContact CG2-CG 3.94Å; I132-I144 HydrophobicContact CD1-CG2 3.97Å; I132-E145 HydrophobicContact CD1-CG 3.89Å; I132-V148 HydrophobicContact CD1-CG2 4.33Å; I132-I175 CarbonylContact C-O 3.45Å; I132-I175 VanDerWaalsContact CA-O 3.26Å; I132-I175 WeakPolarHBondContact CA-O 3.31Å; I132-I175 HydrophobicContact CG1-CB 4.22Å; I132-I175 HydrophobicContact CG1-CG2 4.38Å
133	S	89.2	Confident	89.7	Confident	43 Å²	43	52.6 Å²	52.6	30%	0.301	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-27.1	-179.1	62.6	0	0	0	0	112.9	D174 I175	S133-D174 WeakPolarHBondContact CB-OD1 3.48Å; S133-D174 WeakPolarHBondContact CB-OD2 3.26Å; S133-D174 PolarHBondContact N-OD1 2.81Å; S133-D174 VanDerWaalsContact OG-CG 3.24Å; S133-D174 PolarHBondContact OG-OD1 2.95Å; S133-D174 PolarHBondContact OG-OD2 3.41Å; S133-I175 PolarHBondContact N-O 2.95Å
134	R	89.8	Confident	90.2	Very high	150 Å²	150	52.3 Å²	52.3	57%	0.566	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	125.4	176.6	-62.1	-175.4	-179.1	-177.1	2.3	110.4	A176 F177	R134-A176 HydrophobicContact CB-CB 4.11Å; R134-F177 WeakPolarHBondContact O-CD2 3.24Å; R134-F177 PolarHBondContact O-N 3.34Å
135	Y	93.8	Very high	91	Very high	78 Å²	78	52.3 Å²	52.3	31%	0.306	30%	0.295	S	S	.	.			trans	-90.8	156.2	178.4	-71	-101.8	0	0	0	111.3	I132 P141 I144 E145	I132-Y135 HydrophobicContact CB-CE1 4.22Å; I132-Y135 HydrophobicContact CB-CE2 3.9Å; I132-Y135 HydrophobicContact CD1-CE1 3.92Å; I132-Y135 HydrophobicContact CG2-CD1 3.98Å; I132-Y135 HydrophobicContact CG2-CD2 3.8Å; I132-Y135 HydrophobicContact CG2-CE1 3.92Å; I132-Y135 HydrophobicContact CG2-CE2 3.68Å; I132-Y135 HydrophobicContact CG2-CG 3.94Å; Y135-P141 HydrophobicContact CD1-CB 3.65Å; Y135-P141 HydrophobicContact CD1-CG 4.2Å; Y135-P141 HydrophobicContact CE1-CB 3.75Å; Y135-P141 HydrophobicContact CG-CB 4.41Å; Y135-I144 HydrophobicContact CD1-CD1 4.15Å; Y135-I144 HydrophobicContact CD1-CG2 4.35Å; Y135-E145 HydrophobicContact CE1-CG 4.04Å; Y135-E145 PolarHBondContact OH-OE1 3.44Å
136	S	93.5	Very high	91.5	Very high	11 Å²	11	53.6 Å²	53.6	8%	0.077	30%	0.298	C	S	.	.			trans	-59.3	145.8	173.4	159.2	0	0	0	0	111.3	S138 S139 D211	S136-S138 VanDerWaalsContact C-N 3.31Å; S136-S138 PolarHBondContact OG-N 2.88Å; S136-S138 PolarHBondContact OG-OG 3.48Å; S136-S138 VanDerWaalsContact OG-OG 3.09Å; S136-S139 PolarHBondContact OG-N 2.82Å; S136-S139 PolarHBondContact OG-OG 2.76Å; S136-D211 WeakPolarHBondContact CA-OD1 3.36Å; S136-D211 WeakPolarHBondContact CB-OD1 3.44Å; S136-D211 PolarHBondContact OG-OD1 3.19Å
137	T	91.2	Very high	91.8	Very high	111 Å²	111	51.6 Å²	51.6	68%	0.681	28%	0.284	S	S	*	.	S	Bend	trans	-81.7	-11.7	174.5	53.3	0	0	0	0	113.3	D211	T137-D211 WeakPolarHBondContact CG2-OD2 3.43Å; T137-D211 PolarHBondContact N-OD1 2.9Å; T137-D211 PolarHBondContact N-OD2 3.18Å; T137-D211 PolarHBondContact OG1-OD2 3.2Å
138	S	86.8	Confident	91.9	Very high	76 Å²	76	46.2 Å²	46.2	53%	0.531	26%	0.256	S	S	.	.	S	Bend	trans	-114.2	-10.5	-172.2	64.5	0	0	0	0	115	S136	S136-S138 VanDerWaalsContact C-N 3.31Å; S136-S138 PolarHBondContact OG-N 2.88Å; S136-S138 PolarHBondContact OG-OG 3.48Å; S136-S138 VanDerWaalsContact OG-OG 3.09Å
139	S	86.9	Confident	92.1	Very high	16 Å²	16	50.8 Å²	50.8	11%	0.112	28%	0.275	C	S	.	.	S	Bend	trans	-125	151.5	-177.1	-41.1	0	0	0	0	110.8	S136 W215	S136-S139 PolarHBondContact OG-N 2.82Å; S136-S139 PolarHBondContact OG-OG 2.76Å; S139-W215 PolarHBondContact OG-O 2.85Å
140	D	90.3	Very high	92.2	Very high	77 Å²	77	53.3 Å²	53.3	41%	0.412	28%	0.283	S	S	.	.			trans	-73.8	137.8	-178.6	69.2	102.4	0	0	0	112	V142 S143 I144	D140-V142 VanDerWaalsContact C-N 3.28Å; D140-V142 PolarHBondContact O-N 3.16Å; D140-S143 PolarHBondContact O-N 3.01Å; D140-S143 WeakPolarHBondContact OD1-CB 3.27Å; D140-S143 PolarHBondContact OD1-N 2.77Å; D140-S143 PolarHBondContact OD1-OG 2.86Å; D140-S143 VanDerWaalsContact OD2-CB 3.22Å; D140-S143 WeakPolarHBondContact OD2-CB 3.27Å; D140-S143 PolarHBondContact OD2-OG 2.83Å; D140-I144 WeakPolarHBondContact O-CG1 3.31Å; D140-I144 PolarHBondContact O-N 2.82Å; D140-I144 VanDerWaalsContact O-N 3.15Å
141	P	92.6	Very high	92.2	Very high	66 Å²	66	53 Å²	53	43%	0.429	28%	0.282	S	S	.	.	H	α-helix	trans	-56.6	-35.9	-177.4	-30.9	37	0	0	0	115.3	Y135 I144 E145	Y135-P141 HydrophobicContact CD1-CB 3.65Å; Y135-P141 HydrophobicContact CD1-CG 4.2Å; Y135-P141 HydrophobicContact CE1-CB 3.75Å; Y135-P141 HydrophobicContact CG-CB 4.41Å; P141-I144 PolarHBondContact O-N 3.39Å; P141-E145 WeakPolarHBondContact O-CG 3.42Å; P141-E145 PolarHBondContact O-N 2.98Å
142	V	92.3	Very high	92.5	Very high	108 Å²	108	53 Å²	53	66%	0.655	28%	0.282	S	S	*	.	H	α-helix	trans	-67.1	-44	-177.2	176.7	0	0	0	0	110.8	D140 E145 D146	D140-V142 VanDerWaalsContact C-N 3.28Å; D140-V142 PolarHBondContact O-N 3.16Å; V142-E145 PolarHBondContact O-N 2.84Å; V142-D146 PolarHBondContact O-N 2.56Å
143	S	91	Very high	92.6	Very high	41 Å²	41	58.2 Å²	58.2	29%	0.287	30%	0.301	S	S	.	.	H	α-helix	trans	-71.6	-33.4	178.7	-56.6	0	0	0	0	112.1	D140 D146 A147 P217	D140-S143 PolarHBondContact O-N 3.01Å; D140-S143 WeakPolarHBondContact OD1-CB 3.27Å; D140-S143 PolarHBondContact OD1-N 2.77Å; D140-S143 PolarHBondContact OD1-OG 2.86Å; D140-S143 VanDerWaalsContact OD2-CB 3.22Å; D140-S143 WeakPolarHBondContact OD2-CB 3.27Å; D140-S143 PolarHBondContact OD2-OG 2.83Å; S143-D146 PolarHBondContact O-N 3.07Å; S143-A147 WeakPolarHBondContact O-CB 3.27Å; S143-A147 PolarHBondContact O-N 2.95Å; S143-P217 VanDerWaalsContact O-CB 3.28Å; S143-P217 WeakPolarHBondContact O-CB 3.17Å
144	I	93.8	Very high	92.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-49	170.1	-67	169	0	0	0	110.2	I132 Y135 D140 P141 D146 A147 V148 F177 L225	I132-I144 HydrophobicContact CD1-CG2 3.97Å; Y135-I144 HydrophobicContact CD1-CD1 4.15Å; Y135-I144 HydrophobicContact CD1-CG2 4.35Å; D140-I144 WeakPolarHBondContact O-CG1 3.31Å; D140-I144 PolarHBondContact O-N 2.82Å; D140-I144 VanDerWaalsContact O-N 3.15Å; P141-I144 PolarHBondContact O-N 3.39Å; I144-D146 VanDerWaalsContact C-N 3.34Å; I144-D146 PolarHBondContact O-N 3.17Å; I144-A147 PolarHBondContact O-N 3.14Å; I144-V148 HydrophobicContact CG2-CG2 4.34Å; I144-V148 WeakPolarHBondContact O-CB 3.27Å; I144-V148 WeakPolarHBondContact O-CG2 3.27Å; I144-V148 PolarHBondContact O-N 3.02Å; I144-F177 HydrophobicContact CD1-CE2 4.32Å; I144-F177 HydrophobicContact CD1-CZ 4.4Å; I144-F177 HydrophobicContact CG1-CZ 4.46Å; I144-F177 HydrophobicContact CG2-CE2 3.61Å; I144-F177 HydrophobicContact CG2-CZ 3.87Å; I144-L225 HydrophobicContact CB-CD2 4.37Å; I144-L225 HydrophobicContact CG1-CD2 4.12Å; I144-L225 HydrophobicContact CG2-CD2 4.24Å
145	E	94.8	Very high	93.3	Very high	64 Å²	64	49.2 Å²	49.2	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-41.8	179	-76.4	173.8	-169.6	0	0	112.4	I132 Y135 P141 V142 K149	I132-E145 HydrophobicContact CD1-CG 3.89Å; Y135-E145 HydrophobicContact CE1-CG 4.04Å; Y135-E145 PolarHBondContact OH-OE1 3.44Å; P141-E145 WeakPolarHBondContact O-CG 3.42Å; P141-E145 PolarHBondContact O-N 2.98Å; V142-E145 PolarHBondContact O-N 2.84Å; E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 PolarHBondContact O-N 2.86Å
146	D	92.9	Very high	93.3	Very high	72 Å²	72	47.7 Å²	47.7	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-44.5	176.2	-175.3	57.8	0	0	0	111.8	V142 S143 I144 K149 K150	V142-D146 PolarHBondContact O-N 2.56Å; S143-D146 PolarHBondContact O-N 3.07Å; I144-D146 VanDerWaalsContact C-N 3.34Å; I144-D146 PolarHBondContact O-N 3.17Å; D146-K149 PolarHBondContact O-N 2.75Å; D146-K150 WeakPolarHBondContact O-CB 3.48Å; D146-K150 VanDerWaalsContact O-CG 3.29Å; D146-K150 WeakPolarHBondContact O-CG 3.45Å; D146-K150 PolarHBondContact O-N 2.92Å; D146-K150 IonicContact OD1-NZ 2.83Å; D146-K150 WeakPolarHBondContact OD2-CE 3.29Å; D146-K150 IonicContact OD2-NZ 3.81Å; D146-K150 PolarHBondContact OD2-NZ 3.23Å
147	A	92.3	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-47.8	176.9	0	0	0	0	0	111.9	S143 I144 K149 K150 A151 P217 L225	S143-A147 WeakPolarHBondContact O-CB 3.27Å; S143-A147 PolarHBondContact O-N 2.95Å; I144-A147 PolarHBondContact O-N 3.14Å; A147-K149 PolarHBondContact O-N 2.86Å; A147-K150 PolarHBondContact O-N 3.42Å; A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 3.33Å; A147-P217 HydrophobicContact CB-CB 4.03Å; A147-L225 HydrophobicContact CB-CD2 4.1Å; A147-L225 HydrophobicContact CB-CG 4.25Å
148	V	95.6	Very high	93.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-44.3	177.5	169.3	0	0	0	0	111.1	Y130 I132 I144 K150 A151 F152 I175	Y130-V148 HydrophobicContact CD2-CG1 4.14Å; Y130-V148 HydrophobicContact CE2-CG1 3.64Å; I132-V148 HydrophobicContact CD1-CG2 4.33Å; I144-V148 HydrophobicContact CG2-CG2 4.34Å; I144-V148 WeakPolarHBondContact O-CB 3.27Å; I144-V148 WeakPolarHBondContact O-CG2 3.27Å; I144-V148 PolarHBondContact O-N 3.02Å; V148-K150 VanDerWaalsContact C-N 3.35Å; V148-K150 PolarHBondContact O-N 3.42Å; V148-A151 WeakPolarHBondContact O-CB 2.97Å; V148-A151 PolarHBondContact O-N 3Å; V148-A151 VanDerWaalsContact O-N 3.16Å; V148-F152 HydrophobicContact CG1-CD2 3.89Å; V148-F152 HydrophobicContact CG1-CE2 3.72Å; V148-F152 WeakPolarHBondContact O-CD2 3.1Å; V148-F152 PolarHBondContact O-N 2.83Å; V148-I175 HydrophobicContact CG1-CD1 3.51Å; V148-I175 HydrophobicContact CG2-CD1 4.44Å
149	K	96	Very high	93.7	Very high	98 Å²	98	48.1 Å²	48.1	43%	0.426	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-40.8	177.7	-177.1	177.3	-177.6	175.8	0	112	E145 D146 A147 A151 R153	E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 PolarHBondContact O-N 2.86Å; D146-K149 PolarHBondContact O-N 2.75Å; A147-K149 PolarHBondContact O-N 2.86Å; K149-A151 VanDerWaalsContact C-N 3.34Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.37Å
150	K	93.6	Very high	93.9	Very high	85 Å²	85	50.4 Å²	50.4	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-40.1	173.3	-74.9	173.3	-176.3	164.5	0	111.4	D146 A147 V148 R153 V154 Y226	D146-K150 WeakPolarHBondContact O-CB 3.48Å; D146-K150 VanDerWaalsContact O-CG 3.29Å; D146-K150 WeakPolarHBondContact O-CG 3.45Å; D146-K150 PolarHBondContact O-N 2.92Å; D146-K150 IonicContact OD1-NZ 2.83Å; D146-K150 WeakPolarHBondContact OD2-CE 3.29Å; D146-K150 IonicContact OD2-NZ 3.81Å; D146-K150 PolarHBondContact OD2-NZ 3.23Å; A147-K150 PolarHBondContact O-N 3.42Å; V148-K150 VanDerWaalsContact C-N 3.35Å; V148-K150 PolarHBondContact O-N 3.42Å; K150-R153 WeakPolarHBondContact O-CB 3.48Å; K150-R153 PolarHBondContact O-N 2.8Å; K150-V154 PolarHBondContact O-N 3.21Å; K150-Y226 HydrophobicContact CB-CD2 3.8Å; K150-Y226 HydrophobicContact CB-CE2 3.63Å
151	A	95.2	Very high	94.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-44.5	178.8	0	0	0	0	0	112	A147 V148 K149 R153 V154 Y226 A229 A230 I233	A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 3.33Å; V148-A151 WeakPolarHBondContact O-CB 2.97Å; V148-A151 PolarHBondContact O-N 3Å; V148-A151 VanDerWaalsContact O-N 3.16Å; K149-A151 VanDerWaalsContact C-N 3.34Å; A151-R153 VanDerWaalsContact C-N 3.32Å; A151-R153 PolarHBondContact O-N 2.65Å; A151-V154 WeakPolarHBondContact O-CB 3.42Å; A151-V154 PolarHBondContact O-N 2.86Å; A151-Y226 HydrophobicContact CB-CD2 4.09Å; A151-Y226 HydrophobicContact CB-CE2 4.39Å; A151-A229 HydrophobicContact CB-CB 3.73Å; A151-A230 HydrophobicContact CB-CB 4.05Å; A151-I233 HydrophobicContact CB-CD1 3.6Å
152	F	97.6	Very high	94.2	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-40.7	173	-82.6	-68.7	0	0	0	112.6	Y130 V148 V154 W155 E156 F163 I173 I175 I233	Y130-F152 AromaticContact CD1-CD2 3.7Å; Y130-F152 HydrophobicContact CD1-CD2 3.7Å; Y130-F152 HydrophobicContact CD1-CE1 4.38Å; Y130-F152 AromaticContact CD1-CE2 3.4Å; Y130-F152 HydrophobicContact CD1-CE2 3.4Å; Y130-F152 HydrophobicContact CD1-CG 4.32Å; Y130-F152 AromaticContact CD1-CZ 3.78Å; Y130-F152 HydrophobicContact CD1-CZ 3.78Å; Y130-F152 HydrophobicContact CD2-CD2 4.27Å; Y130-F152 AromaticContact CD2-CE2 3.55Å; Y130-F152 HydrophobicContact CD2-CE2 3.55Å; Y130-F152 HydrophobicContact CD2-CZ 4.26Å; Y130-F152 AromaticContact CE1-CD2 3.52Å; Y130-F152 HydrophobicContact CE1-CD2 3.52Å; Y130-F152 AromaticContact CE1-CE2 3.69Å; Y130-F152 HydrophobicContact CE1-CE2 3.69Å; Y130-F152 HydrophobicContact CE1-CG 4.19Å; Y130-F152 HydrophobicContact CE1-CZ 4.45Å; Y130-F152 HydrophobicContact CE2-CD2 4.12Å; Y130-F152 AromaticContact CE2-CE2 3.84Å; Y130-F152 HydrophobicContact CE2-CE2 3.84Å; Y130-F152 HydrophobicContact CG-CD2 4.07Å; Y130-F152 AromaticContact CG-CE2 3.32Å; Y130-F152 HydrophobicContact CG-CE2 3.32Å; Y130-F152 AromaticContact CG-CZ 3.66Å; Y130-F152 HydrophobicContact CG-CZ 3.66Å; Y130-F152 AromaticContact CZ-CD2 3.74Å; Y130-F152 AromaticContact CZ-CE2 3.89Å; V148-F152 HydrophobicContact CG1-CD2 3.89Å; V148-F152 HydrophobicContact CG1-CE2 3.72Å; V148-F152 WeakPolarHBondContact O-CD2 3.1Å; V148-F152 PolarHBondContact O-N 2.83Å; F152-V154 PolarHBondContact O-N 3.37Å; F152-W155 PolarHBondContact O-N 3.07Å; F152-E156 PolarHBondContact O-N 3.12Å; F152-E156 VanDerWaalsContact O-N 3.12Å; F152-F163 HydrophobicContact CB-CB 4.06Å; F152-F163 HydrophobicContact CB-CD2 3.88Å; F152-F163 HydrophobicContact CB-CG 4.03Å; F152-F163 HydrophobicContact CD1-CB 3.84Å; F152-F163 AromaticContact CD1-CD1 3.29Å; F152-F163 HydrophobicContact CD1-CD1 3.29Å; F152-F163 AromaticContact CD1-CD2 3.63Å; F152-F163 HydrophobicContact CD1-CD2 3.63Å; F152-F163 AromaticContact CD1-CE1 3.66Å; F152-F163 HydrophobicContact CD1-CE1 3.66Å; F152-F163 HydrophobicContact CD1-CE2 4Å; F152-F163 AromaticContact CD1-CG 3.28Å; F152-F163 HydrophobicContact CD1-CG 3.28Å; F152-F163 HydrophobicContact CD1-CZ 4.02Å; F152-F163 HydrophobicContact CE1-CB 4.5Å; F152-F163 AromaticContact CE1-CD1 3.48Å; F152-F163 HydrophobicContact CE1-CD1 3.48Å; F152-F163 VanDerWaalsContact CE1-CD1 3.48Å; F152-F163 AromaticContact CE1-CE1 3.78Å; F152-F163 HydrophobicContact CE1-CE1 3.78Å; F152-F163 AromaticContact CE1-CG 3.95Å; F152-F163 HydrophobicContact CE1-CG 3.95Å; F152-F163 HydrophobicContact CE1-CZ 4.49Å; F152-F163 HydrophobicContact CG-CB 3.96Å; F152-F163 HydrophobicContact CG-CD1 4.26Å; F152-F163 HydrophobicContact CG-CD2 4.14Å; F152-F163 AromaticContact CG-CG 3.86Å; F152-F163 HydrophobicContact CG-CG 3.86Å; F152-I173 HydrophobicContact CE1-CD1 4.15Å; F152-I173 HydrophobicContact CZ-CD1 4.43Å; F152-I173 HydrophobicContact CZ-CG2 4.4Å; F152-I175 HydrophobicContact CE2-CD1 3.94Å; F152-I175 HydrophobicContact CZ-CD1 4.31Å; F152-I233 HydrophobicContact CB-CD1 4.45Å; F152-I233 HydrophobicContact CD1-CD1 3.81Å; F152-I233 HydrophobicContact CD1-CG1 4.23Å; F152-I233 HydrophobicContact CD1-CG2 3.77Å; F152-I233 HydrophobicContact CD2-CD1 3.76Å; F152-I233 HydrophobicContact CE1-CB 4.49Å; F152-I233 HydrophobicContact CE1-CD1 3.9Å; F152-I233 HydrophobicContact CE1-CG1 3.89Å; F152-I233 HydrophobicContact CE1-CG2 3.74Å; F152-I233 HydrophobicContact CE2-CD1 3.83Å; F152-I233 HydrophobicContact CE2-CG1 4.34Å; F152-I233 HydrophobicContact CG-CD1 3.75Å; F152-I233 HydrophobicContact CZ-CD1 3.91Å; F152-I233 HydrophobicContact CZ-CG1 3.94Å
153	R	96	Very high	94.5	Very high	123 Å²	123	45.2 Å²	45.2	46%	0.464	21%	0.207	S	C	.	.	H	α-helix	trans	-60.1	-29.2	179	-76.9	173.7	171.9	-175.7	-4	113.8	K149 K150 A151 W155 E156 Q157	K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.37Å; K150-R153 WeakPolarHBondContact O-CB 3.48Å; K150-R153 PolarHBondContact O-N 2.8Å; A151-R153 VanDerWaalsContact C-N 3.32Å; A151-R153 PolarHBondContact O-N 2.65Å; R153-W155 PolarHBondContact O-N 2.97Å; R153-E156 WeakPolarHBondContact CG-OE2 3.41Å; R153-E156 PolarHBondContact O-N 3.33Å; R153-Q157 VanDerWaalsContact O-CG 3.3Å; R153-Q157 WeakPolarHBondContact O-CG 3.34Å; R153-Q157 PolarHBondContact O-N 2.82Å; R153-Q157 VanDerWaalsContact O-N 3.15Å
154	V	95.4	Very high	94.7	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-55.7	-42.6	175	176.8	0	0	0	0	110.3	K150 A151 F152 Y226 A230 L248 I261 L263	K150-V154 PolarHBondContact O-N 3.21Å; A151-V154 WeakPolarHBondContact O-CB 3.42Å; A151-V154 PolarHBondContact O-N 2.86Å; F152-V154 PolarHBondContact O-N 3.37Å; V154-Y226 HydrophobicContact CG2-CE2 3.87Å; V154-Y226 VanDerWaalsContact CG2-OH 3.23Å; V154-Y226 WeakPolarHBondContact CG2-OH 3.06Å; V154-A230 HydrophobicContact CG2-CB 4.47Å; V154-L248 HydrophobicContact CG1-CD2 4.37Å; V154-I261 HydrophobicContact CG1-CB 4.46Å; V154-I261 HydrophobicContact CG1-CG2 4Å; V154-I261 HydrophobicContact CG2-CB 4.11Å; V154-I261 HydrophobicContact CG2-CG2 4.48Å; V154-L263 HydrophobicContact CG1-CD1 4.2Å; V154-L263 HydrophobicContact CG1-CD2 3.55Å; V154-L263 HydrophobicContact CG1-CG 3.71Å
155	W	96.9	Very high	94.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-82.2	-33.1	-179.8	-59	102.6	0	0	0	113.1	F152 R153 Q157 H158 S159 F163 A230 I233 G234 L237 L239 L248 M249 L263 D267 L271	F152-W155 PolarHBondContact O-N 3.07Å; R153-W155 PolarHBondContact O-N 2.97Å; W155-Q157 VanDerWaalsContact C-N 3.27Å; W155-Q157 PolarHBondContact O-N 2.92Å; W155-H158 PolarHBondContact O-N 2.96Å; W155-S159 PolarHBondContact O-N 3.26Å; W155-S159 PolarHBondContact O-OG 3.48Å; W155-F163 HydrophobicContact CB-CE2 4.38Å; W155-A230 WeakPolarHBondContact CZ2-O 3.49Å; W155-A230 PolarHBondContact NE1-O 3.15Å; W155-I233 HydrophobicContact CG-CG2 4.21Å; W155-G234 VanDerWaalsContact CZ2-CA 3.41Å; W155-L237 HydrophobicContact CB-CD1 3.84Å; W155-L237 HydrophobicContact CD2-CD1 4.08Å; W155-L237 HydrophobicContact CE3-CD1 4.48Å; W155-L237 HydrophobicContact CG-CD1 3.79Å; W155-L239 HydrophobicContact CH2-CD2 3.6Å; W155-L239 HydrophobicContact CZ3-CD1 4.43Å; W155-L239 HydrophobicContact CZ3-CD2 3.47Å; W155-L239 VanDerWaalsContact CZ3-CD2 3.47Å; W155-L248 HydrophobicContact CH2-CD2 4.33Å; W155-L248 HydrophobicContact CZ2-CD2 3.72Å; W155-M249 HydrophobicContact CH2-CG 3.95Å; W155-M249 HydrophobicContact CH2-SD 3.97Å; W155-M249 HydrophobicContact CZ2-CG 4.48Å; W155-M249 HydrophobicContact CZ2-SD 3.92Å; W155-L263 HydrophobicContact CE3-CD1 3.84Å; W155-L263 HydrophobicContact CH2-CD2 4.08Å; W155-L263 HydrophobicContact CZ2-CD2 4.39Å; W155-L263 HydrophobicContact CZ3-CD1 3.9Å; W155-L263 HydrophobicContact CZ3-CD2 4.16Å; W155-D267 HydrophobicContact CH2-CB 4.45Å; W155-L271 HydrophobicContact CE3-CD1 3.86Å; W155-L271 HydrophobicContact CE3-CD2 3.92Å; W155-L271 HydrophobicContact CE3-CG 4.35Å; W155-L271 HydrophobicContact CZ3-CB 4.48Å; W155-L271 HydrophobicContact CZ3-CD1 4.35Å
156	E	95.2	Very high	94.4	Very high	45 Å²	45	51.8 Å²	51.8	21%	0.21	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-36.2	175	-65.3	-172.9	134.2	0	0	112.6	F152 R153 H158 S159 F163	F152-E156 PolarHBondContact O-N 3.12Å; F152-E156 VanDerWaalsContact O-N 3.12Å; R153-E156 WeakPolarHBondContact CG-OE2 3.41Å; R153-E156 PolarHBondContact O-N 3.33Å; E156-H158 PolarHBondContact O-N 2.96Å; E156-S159 PolarHBondContact O-N 3.16Å; E156-F163 HydrophobicContact CG-CD2 3.34Å; E156-F163 HydrophobicContact CG-CE2 3.67Å; E156-F163 PolarHBondContact OE1-N 3.13Å
157	Q	93.5	Very high	93.8	Very high	143 Å²	143	53.6 Å²	53.6	67%	0.668	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.3	-177.2	-77.3	174.1	-10.5	0	0	113.5	R153 W155	R153-Q157 VanDerWaalsContact O-CG 3.3Å; R153-Q157 WeakPolarHBondContact O-CG 3.34Å; R153-Q157 PolarHBondContact O-N 2.82Å; R153-Q157 VanDerWaalsContact O-N 3.15Å; W155-Q157 VanDerWaalsContact C-N 3.27Å; W155-Q157 PolarHBondContact O-N 2.92Å
158	H	93.4	Very high	92.9	Very high	62 Å²	62	56.6 Å²	56.6	29%	0.287	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	6.7	-174.9	-68.3	-87.7	0	0	0	113.2	W155 E156 L263 L271 H272	W155-H158 PolarHBondContact O-N 2.96Å; E156-H158 PolarHBondContact O-N 2.96Å; H158-L263 HydrophobicContact CB-CD1 4.27Å; H158-L271 HydrophobicContact CB-CD2 3.94Å; H158-H272 PolarHBondContact O-CD2 3.41Å; H158-H272 PolarHBondContact O-NE2 2.9Å
159	S	92.4	Very high	91	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.014	31%	0.311	C	S	.	.	S	Bend	trans	-146.9	172.6	-176.8	67.5	0	0	0	0	113.5	W155 E156 L161 R162	W155-S159 PolarHBondContact O-N 3.26Å; W155-S159 PolarHBondContact O-OG 3.48Å; E156-S159 PolarHBondContact O-N 3.16Å; S159-L161 WeakPolarHBondContact OG-CB 3.4Å; S159-L161 PolarHBondContact OG-N 2.86Å; S159-R162 PolarHBondContact O-NH1 3.02Å
160	L	90.1	Very high	89.8	Confident	65 Å²	65	67.8 Å²	67.8	34%	0.34	32%	0.32	S	S	.	.	S	Bend	trans	-81	-0.9	169.9	-61	179.7	0	0	0	112.8	P278	L160-P278 HydrophobicContact CD2-CB 4.25Å
161	L	94.7	Very high	89.3	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	31%	0.31	C	S	.	.			trans	-68	140.5	179.7	-61.2	178.9	0	0	0	111.4	S126 S159 F163 L237 Y275	S126-L161 CarbonylContact O-C 3.54Å; S126-L161 VanDerWaalsContact O-CA 3.27Å; S126-L161 WeakPolarHBondContact O-CA 3.18Å; S159-L161 WeakPolarHBondContact OG-CB 3.4Å; S159-L161 PolarHBondContact OG-N 2.86Å; L161-F163 HydrophobicContact CB-CE2 3.97Å; L161-F163 HydrophobicContact CB-CZ 3.88Å; L161-F163 HydrophobicContact CD1-CZ 4Å; L161-L237 HydrophobicContact CD1-CD1 4.01Å; L161-L237 HydrophobicContact CD1-CD2 3.76Å; L161-L237 HydrophobicContact CD1-CG 4.45Å; L161-Y275 HydrophobicContact CD1-CD1 4.12Å; L161-Y275 HydrophobicContact CD1-CD2 3.92Å; L161-Y275 HydrophobicContact CD1-CE1 4.13Å; L161-Y275 HydrophobicContact CD1-CE2 3.96Å; L161-Y275 HydrophobicContact CD1-CG 4Å; L161-Y275 HydrophobicContact CD2-CD1 3.65Å; L161-Y275 HydrophobicContact CD2-CE1 3.87Å; L161-Y275 HydrophobicContact CD2-CG 4.18Å; L161-Y275 HydrophobicContact CG-CD1 4.17Å; L161-Y275 HydrophobicContact CG-CG 4.2Å
162	R	95.8	Very high	88.8	Confident	117 Å²	117	67 Å²	67	44%	0.442	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.2	175.1	-62.1	-63.1	175.8	-97.8	0.6	109.8	S126 L128 S159	S126-R162 PolarHBondContact O-N 3.21Å; L128-R162 PolarHBondContact N-O 3.02Å; S159-R162 PolarHBondContact O-NH1 3.02Å
163	F	97.3	Very high	88.4	Confident	24 Å²	24	66.8 Å²	66.8	11%	0.105	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.9	-177.9	-55.4	-83.1	0	0	0	111.6	L128 Y130 F152 W155 E156 L161 L237	L128-F163 HydrophobicContact CB-CD1 3.75Å; L128-F163 HydrophobicContact CB-CE1 3.89Å; L128-F163 HydrophobicContact CD1-CD1 4.42Å; L128-F163 HydrophobicContact CD1-CE1 3.69Å; L128-F163 HydrophobicContact CD1-CZ 4.45Å; L128-F163 HydrophobicContact CG-CE1 4.36Å; L128-F163 CarbonylContact O-C 3.29Å; L128-F163 VanDerWaalsContact O-CA 3.27Å; L128-F163 WeakPolarHBondContact O-CA 3.45Å; Y130-F163 HydrophobicContact CD1-CB 4.14Å; Y130-F163 HydrophobicContact CE1-CB 4.16Å; F152-F163 HydrophobicContact CB-CB 4.06Å; F152-F163 HydrophobicContact CB-CD2 3.88Å; F152-F163 HydrophobicContact CB-CG 4.03Å; F152-F163 HydrophobicContact CD1-CB 3.84Å; F152-F163 AromaticContact CD1-CD1 3.29Å; F152-F163 HydrophobicContact CD1-CD1 3.29Å; F152-F163 AromaticContact CD1-CD2 3.63Å; F152-F163 HydrophobicContact CD1-CD2 3.63Å; F152-F163 AromaticContact CD1-CE1 3.66Å; F152-F163 HydrophobicContact CD1-CE1 3.66Å; F152-F163 HydrophobicContact CD1-CE2 4Å; F152-F163 AromaticContact CD1-CG 3.28Å; F152-F163 HydrophobicContact CD1-CG 3.28Å; F152-F163 HydrophobicContact CD1-CZ 4.02Å; F152-F163 HydrophobicContact CE1-CB 4.5Å; F152-F163 AromaticContact CE1-CD1 3.48Å; F152-F163 HydrophobicContact CE1-CD1 3.48Å; F152-F163 VanDerWaalsContact CE1-CD1 3.48Å; F152-F163 AromaticContact CE1-CE1 3.78Å; F152-F163 HydrophobicContact CE1-CE1 3.78Å; F152-F163 AromaticContact CE1-CG 3.95Å; F152-F163 HydrophobicContact CE1-CG 3.95Å; F152-F163 HydrophobicContact CE1-CZ 4.49Å; F152-F163 HydrophobicContact CG-CB 3.96Å; F152-F163 HydrophobicContact CG-CD1 4.26Å; F152-F163 HydrophobicContact CG-CD2 4.14Å; F152-F163 AromaticContact CG-CG 3.86Å; F152-F163 HydrophobicContact CG-CG 3.86Å; W155-F163 HydrophobicContact CB-CE2 4.38Å; E156-F163 HydrophobicContact CG-CD2 3.34Å; E156-F163 HydrophobicContact CG-CE2 3.67Å; E156-F163 PolarHBondContact OE1-N 3.13Å; L161-F163 HydrophobicContact CB-CE2 3.97Å; L161-F163 HydrophobicContact CB-CZ 3.88Å; L161-F163 HydrophobicContact CD1-CZ 4Å; F163-L237 HydrophobicContact CE1-CD2 3.87Å; F163-L237 HydrophobicContact CZ-CD1 3.99Å; F163-L237 HydrophobicContact CZ-CD2 3.81Å; F163-L237 HydrophobicContact CZ-CG 4.42Å
164	K	95.5	Very high	88.1	Confident	144 Å²	144	61.5 Å²	61.5	63%	0.626	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	126	175.8	-174.7	178.3	177.3	-177	0	111	L128 T129 Y130 V166	L128-K164 PolarHBondContact O-N 2.96Å; T129-K164 WeakPolarHBondContact CA-O 3.27Å; Y130-K164 PolarHBondContact N-O 2.94Å; K164-V166 HydrophobicContact CG-CG1 4.39Å; K164-V166 PolarHBondContact O-N 3.24Å
165	Q	94.9	Very high	88	Confident	68 Å²	68	61.4 Å²	61.4	32%	0.318	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.8	170.9	-164.4	171.8	-7.5	0	0	110.3	Y130	Y130-Q165 HydrophobicContact CD2-CB 4.39Å; Y130-Q165 HydrophobicContact CD2-CG 4.15Å; Y130-Q165 HydrophobicContact CE1-CB 4.04Å; Y130-Q165 HydrophobicContact CE2-CB 3.79Å; Y130-Q165 HydrophobicContact CE2-CG 3.68Å; Y130-Q165 CarbonylContact O-C 3.58Å; Y130-Q165 VanDerWaalsContact O-CA 3.27Å; Y130-Q165 WeakPolarHBondContact O-CA 3.22Å
166	V	89.1	Confident	87.8	Confident	31 Å²	31	61.6 Å²	61.6	19%	0.188	30%	0.304	C	S	.	.			trans	-134.5	165.8	178.6	-59.7	0	0	0	0	110.7	T129 Y130 S131 K164 A171	T129-V166 HydrophobicContact CG2-CG1 3.8Å; T129-V166 HydrophobicContact CG2-CG2 4.43Å; Y130-V166 PolarHBondContact O-N 3.01Å; S131-V166 VanDerWaalsContact CB-O 3.3Å; S131-V166 WeakPolarHBondContact CB-O 3.12Å; K164-V166 HydrophobicContact CG-CG1 4.39Å; K164-V166 PolarHBondContact O-N 3.24Å; V166-A171 HydrophobicContact CG2-CB 3.69Å
167	P	80.3	Confident	87.8	Confident	110 Å²	110	59.8 Å²	59.8	71%	0.714	30%	0.295	S	S	*	.			trans	-62.2	147.9	171.7	-22.2	34.6	0	0	0	112.7	R169	P167-R169 VanDerWaalsContact C-N 3.32Å; P167-R169 PolarHBondContact O-N 3.24Å
168	S	72.6	Confident	87.6	Confident	62 Å²	62	53.5 Å²	53.5	43%	0.434	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-52.9	-31.1	-163.6	171	0	0	0	0	118	S131 T170	S131-S168 WeakPolarHBondContact OG-CA 3.45Å; S168-T170 VanDerWaalsContact C-N 3.3Å; S168-T170 PolarHBondContact O-N 3.4Å
169	R	56.6	Low	87.4	Confident	232 Å²	232	54.8 Å²	54.8	88%	0.875	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-72.7	-15.9	-167	-69.8	-171.6	176.7	-143.8	-0.3	115.8	P167	P167-R169 VanDerWaalsContact C-N 3.32Å; P167-R169 PolarHBondContact O-N 3.24Å
170	T	70.7	Confident	86.9	Confident	102 Å²	102	60.6 Å²	60.6	63%	0.626	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-132.3	7.3	-170.8	55.9	0	0	0	0	113.8	S168	S168-T170 VanDerWaalsContact C-N 3.3Å; S168-T170 PolarHBondContact O-N 3.4Å
171	A	82.8	Confident	86.1	Confident	18 Å²	18	62.7 Å²	62.7	15%	0.149	31%	0.306	C	S	.	.			trans	-68.7	144.5	-179.9	0	0	0	0	0	111.6	T129 S131 V166	T129-A171 WeakPolarHBondContact OG1-CA 3.5Å; S131-A171 WeakPolarHBondContact OG-CB 3.45Å; V166-A171 HydrophobicContact CG2-CB 3.69Å
172	N	84.6	Confident	85.3	Confident	50 Å²	50	64.8 Å²	64.8	27%	0.267	32%	0.315	S	S	.	.	S	Bend	trans	-67.1	-42.4	171.4	-57.2	107	0	0	0	110.9	W123 L128 T129 R492	W123-N172 HydrophobicContact CE3-CB 4.37Å; W123-N172 HydrophobicContact CH2-CB 3.94Å; W123-N172 VanDerWaalsContact CH2-O 3.32Å; W123-N172 WeakPolarHBondContact CH2-O 3.29Å; W123-N172 HydrophobicContact CZ3-CB 3.76Å; L128-N172 HydrophobicContact CD2-CB 4.4Å; T129-N172 PolarHBondContact N-OD1 3.41Å; T129-N172 WeakPolarHBondContact O-CA 3.28Å; T129-N172 WeakPolarHBondContact O-CB 3.31Å; T129-N172 PolarHBondContact O-N 2.81Å; T129-N172 PolarHBondContact OG1-N 3.11Å; T129-N172 PolarHBondContact OG1-OD1 2.82Å; N172-R492 PolarHBondContact O-NH2 3.06Å
173	I	89.7	Confident	83.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.8	-176.5	-63.9	165.8	0	0	0	109.5	W123 T129 Y130 S131 F152 I175 G205 I207 S236	W123-I173 HydrophobicContact CH2-CG1 4.2Å; W123-I173 HydrophobicContact CZ2-CD1 4.2Å; W123-I173 HydrophobicContact CZ2-CG1 3.62Å; T129-I173 PolarHBondContact O-N 2.74Å; Y130-I173 CarbonylContact C-O 3.52Å; Y130-I173 WeakPolarHBondContact CA-O 3.44Å; Y130-I173 WeakPolarHBondContact CB-O 3.38Å; S131-I173 PolarHBondContact N-O 2.92Å; F152-I173 HydrophobicContact CE1-CD1 4.15Å; F152-I173 HydrophobicContact CZ-CD1 4.43Å; F152-I173 HydrophobicContact CZ-CG2 4.4Å; I173-I175 HydrophobicContact CG2-CG1 4.32Å; I173-G205 WeakPolarHBondContact CG2-O 3.33Å; I173-I207 HydrophobicContact CG2-CD1 4.09Å; I173-I207 HydrophobicContact CG2-CG1 4.24Å; I173-S236 WeakPolarHBondContact CD1-OG 3.36Å; I173-S236 WeakPolarHBondContact CG1-OG 3.29Å
174	D	88.5	Confident	82.5	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.064	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.3	172	-170.9	42.8	0	0	0	111.2	S131 S133 S206 I207	S131-D174 PolarHBondContact OG-OD1 2.72Å; S133-D174 WeakPolarHBondContact CB-OD1 3.48Å; S133-D174 WeakPolarHBondContact CB-OD2 3.26Å; S133-D174 PolarHBondContact N-OD1 2.81Å; S133-D174 VanDerWaalsContact OG-CG 3.24Å; S133-D174 PolarHBondContact OG-OD1 2.95Å; S133-D174 PolarHBondContact OG-OD2 3.41Å; D174-S206 CarbonylContact O-C 3.53Å; D174-S206 VanDerWaalsContact O-CA 3.24Å; D174-S206 WeakPolarHBondContact O-CA 3.34Å; D174-S206 WeakPolarHBondContact O-CB 3.24Å; D174-I207 PolarHBondContact O-N 3Å
175	I	94.2	Very high	81.1	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.5	176.9	-61.2	174.7	0	0	0	108.9	Y130 S131 I132 S133 V148 F152 I173 I207 F209	Y130-I175 HydrophobicContact CD2-CD1 4.08Å; S131-I175 WeakPolarHBondContact O-CB 3Å; S131-I175 PolarHBondContact O-N 3.48Å; I132-I175 CarbonylContact C-O 3.45Å; I132-I175 VanDerWaalsContact CA-O 3.26Å; I132-I175 WeakPolarHBondContact CA-O 3.31Å; I132-I175 HydrophobicContact CG1-CB 4.22Å; I132-I175 HydrophobicContact CG1-CG2 4.38Å; S133-I175 PolarHBondContact N-O 2.95Å; V148-I175 HydrophobicContact CG1-CD1 3.51Å; V148-I175 HydrophobicContact CG2-CD1 4.44Å; F152-I175 HydrophobicContact CE2-CD1 3.94Å; F152-I175 HydrophobicContact CZ-CD1 4.31Å; I173-I175 HydrophobicContact CG2-CG1 4.32Å; I175-I207 WeakPolarHBondContact CA-O 3.33Å; I175-I207 HydrophobicContact CG1-CB 4.23Å; I175-I207 HydrophobicContact CG1-CD1 4.37Å; I175-F209 HydrophobicContact CG2-CD2 3.97Å; I175-F209 HydrophobicContact CG2-CE2 3.62Å
176	A	92.5	Very high	79.9	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.033	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.3	179.7	0	0	0	0	0	113	R134 V178 I207 H208 F209	R134-A176 HydrophobicContact CB-CB 4.11Å; A176-V178 HydrophobicContact CB-CG1 3.96Å; A176-I207 PolarHBondContact N-O 2.89Å; A176-H208 VanDerWaalsContact O-CA 3.27Å; A176-H208 WeakPolarHBondContact O-CA 3.44Å; A176-F209 PolarHBondContact O-N 3.13Å
177	F	95.4	Very high	79.3	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.8	166.1	-68.1	-99	0	0	0	108.6	R134 I144 F209 D211 W215 L225	R134-F177 WeakPolarHBondContact O-CD2 3.24Å; R134-F177 PolarHBondContact O-N 3.34Å; I144-F177 HydrophobicContact CD1-CE2 4.32Å; I144-F177 HydrophobicContact CD1-CZ 4.4Å; I144-F177 HydrophobicContact CG1-CZ 4.46Å; I144-F177 HydrophobicContact CG2-CE2 3.61Å; I144-F177 HydrophobicContact CG2-CZ 3.87Å; F177-F209 WeakPolarHBondContact CA-O 3.2Å; F177-F209 HydrophobicContact CD1-CB 3.52Å; F177-F209 HydrophobicContact CD1-CG 4.26Å; F177-F209 HydrophobicContact CE1-CB 3.61Å; F177-F209 HydrophobicContact CE1-CD2 4.2Å; F177-F209 AromaticContact CE1-CG 3.89Å; F177-F209 HydrophobicContact CE1-CG 3.89Å; F177-F209 HydrophobicContact CE2-CD2 4.18Å; F177-F209 HydrophobicContact CG-CB 4.13Å; F177-F209 HydrophobicContact CZ-CB 4.26Å; F177-F209 AromaticContact CZ-CD2 3.99Å; F177-F209 HydrophobicContact CZ-CD2 3.99Å; F177-F209 HydrophobicContact CZ-CG 4.12Å; F177-D211 HydrophobicContact CB-CB 4.06Å; F177-W215 AromaticContact CD1-CD1 3.79Å; F177-W215 HydrophobicContact CD1-CG 4.45Å; F177-W215 AromaticContact CD1-NE1 3.73Å; F177-W215 AromaticContact CE1-CD1 3.69Å; F177-W215 HydrophobicContact CE1-CD2 4.18Å; F177-W215 AromaticContact CE1-CG 3.92Å; F177-W215 HydrophobicContact CE1-CG 3.92Å; F177-W215 AromaticContact CE1-NE1 3.79Å; F177-L225 HydrophobicContact CE1-CD1 4Å; F177-L225 HydrophobicContact CE1-CD2 4.44Å; F177-L225 HydrophobicContact CZ-CD1 3.78Å; F177-L225 HydrophobicContact CZ-CD2 3.88Å
178	V	89.6	Confident	79.5	Confident	11 Å²	11	50 Å²	50	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.8	-170.9	-65.2	0	0	0	0	110.7	A176 H182 F188 H208 F209 D210 D211	A176-V178 HydrophobicContact CB-CG1 3.96Å; V178-H182 HydrophobicContact CB-CB 3.74Å; V178-H182 HydrophobicContact CG1-CB 4.34Å; V178-H182 HydrophobicContact CG2-CB 3.83Å; V178-H182 WeakPolarHBondContact CG2-CD2 3.41Å; V178-F188 HydrophobicContact CG2-CD2 4.25Å; V178-F188 HydrophobicContact CG2-CE2 3.61Å; V178-F188 WeakPolarHBondContact O-CD2 3.24Å; V178-H208 HydrophobicContact CG2-CB 3.92Å; V178-F209 PolarHBondContact N-O 3.01Å; V178-D210 CarbonylContact O-C 3.49Å; V178-D210 WeakPolarHBondContact O-CA 3.27Å; V178-D211 PolarHBondContact O-N 2.88Å
179	K	87.9	Confident	80.1	Confident	88 Å²	88	51.7 Å²	51.7	38%	0.383	27%	0.266	S	S	.	.			trans	-116.3	140.5	-174.6	-63.1	-174.8	166.4	-176.3	0	111.2	M181 D211 D212	K179-M181 PolarHBondContact O-N 2.75Å; K179-D211 HydrophobicContact CD-CB 4.42Å; K179-D211 WeakPolarHBondContact CE-O 3.44Å; K179-D211 WeakPolarHBondContact CE-OD2 3.38Å; K179-D211 HydrophobicContact CG-CB 3.77Å; K179-D211 PolarHBondContact NZ-O 2.95Å; K179-D211 IonicContact NZ-OD2 2.78Å; K179-D212 WeakPolarHBondContact CD-OD1 3.48Å; K179-D212 WeakPolarHBondContact CE-OD1 3.48Å; K179-D212 IonicContact NZ-OD1 3.38Å; K179-D212 PolarHBondContact NZ-OD1 2.69Å
180	K	82	Confident	81.7	Confident	124 Å²	124	41 Å²	41	54%	0.539	23%	0.227	S	C	.	.	S	Bend	trans	49.2	-129.1	167.5	-57.6	177.6	-177.9	176.3	0	111.5	H182 P187 F188 D212	K180-H182 PolarHBondContact O-N 3.09Å; K180-H182 PolarHBondContact O-ND1 3.29Å; K180-P187 WeakPolarHBondContact O-CA 3.5Å; K180-F188 WeakPolarHBondContact CA-O 3.39Å; K180-F188 PolarHBondContact O-N 2.8Å; K180-D212 WeakPolarHBondContact CE-OD2 3.47Å
181	M	73.7	Confident	82.5	Confident	110 Å²	110	45.1 Å²	45.1	54%	0.542	23%	0.231	S	C	.	.			trans	-73.5	111.1	171.9	-68.1	-82.6	176	0	0	110.4	K179 P187 W481	K179-M181 PolarHBondContact O-N 2.75Å; M181-P187 HydrophobicContact CE-CB 3.56Å; M181-P187 HydrophobicContact CE-CG 3.44Å; M181-P187 VanDerWaalsContact CE-CG 3.44Å; M181-P187 HydrophobicContact CG-CB 3.88Å; M181-P187 HydrophobicContact SD-CB 3.45Å; M181-P187 WeakPolarHBondContact SD-CB 3.3Å; M181-P187 HydrophobicContact SD-CG 3.8Å; M181-W481 HydrophobicContact CE-CH2 4.48Å; M181-W481 HydrophobicContact CE-CZ3 3.95Å; M181-W481 HydrophobicContact CG-CH2 4.34Å; M181-W481 HydrophobicContact CG-CZ3 4.21Å; M181-W481 HydrophobicContact SD-CE3 4.04Å; M181-W481 HydrophobicContact SD-CH2 4.16Å; M181-W481 HydrophobicContact SD-CZ3 3.47Å; M181-W481 WeakPolarHBondContact SD-CZ3 3.22Å
182	H	78.6	Confident	82.7	Confident	44 Å²	44	45.4 Å²	45.4	20%	0.204	24%	0.236	C	C	.	.			trans	-123.6	8.1	-177.2	53.7	-86.1	0	0	0	114.3	V178 K180 D184 E186 F188 H197 H208	V178-H182 HydrophobicContact CB-CB 3.74Å; V178-H182 HydrophobicContact CG1-CB 4.34Å; V178-H182 HydrophobicContact CG2-CB 3.83Å; V178-H182 WeakPolarHBondContact CG2-CD2 3.41Å; K180-H182 PolarHBondContact O-N 3.09Å; K180-H182 PolarHBondContact O-ND1 3.29Å; H182-D184 IonicContact CD2-OD1 3.25Å; H182-D184 IonicContact CD2-OD2 2.81Å; H182-D184 IonicContact CE1-OD1 3.65Å; H182-D184 IonicContact NE2-OD1 3.87Å; H182-D184 PolarHBondContact NE2-OD1 3.47Å; H182-D184 IonicContact NE2-OD2 3.38Å; H182-D184 PolarHBondContact NE2-OD2 3.48Å; H182-E186 PolarHBondContact CE1-O 3.26Å; H182-F188 AromaticContact CE1-CD2 3.69Å; H182-F188 AromaticContact CE1-CE2 3.56Å; H182-F188 AromaticContact ND1-CD2 3.91Å; H182-H197 AromaticContact CE1-CE1 3.5Å; H182-H197 PolarHBondContact CE1-CE1 3.36Å; H182-H197 VanDerWaalsContact CE1-CE1 3.5Å; H182-H197 AromaticContact NE2-CE1 3.35Å; H182-H197 PolarHBondContact NE2-CE1 3.1Å; H182-H197 AromaticContact NE2-NE2 3.6Å; H182-H208 AromaticContact CD2-CE1 3.9Å; H182-H208 AromaticContact CD2-ND1 3.41Å; H182-H208 PolarHBondContact CD2-ND1 2.88Å; H182-H208 AromaticContact NE2-CE1 3.98Å; H182-H208 AromaticContact NE2-CG 3.8Å; H182-H208 AromaticContact NE2-ND1 3.08Å; H182-H208 PolarHBondContact NE2-ND1 3.22Å
183	G	63.3	Low	82.8	Confident	25 Å²	25	44.5 Å²	44.5	26%	0.258	24%	0.238	S	C	.	.	S	Bend	trans	112.6	-19.6	160.8	0	0	0	0	0	115.9	G185 S479 L487	G183-G185 VanDerWaalsContact C-N 3.3Å; G183-G185 PolarHBondContact O-N 3.3Å; G183-S479 WeakPolarHBondContact O-CA 3.44Å; G183-S479 WeakPolarHBondContact O-CB 3.37Å; G183-L487 WeakPolarHBondContact O-CD2 3.48Å
184	D	70.3	Confident	82.8	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.24	C	C	.	.	S	Bend	trans	-80.4	-7.1	-177.3	63.5	-0.4	0	0	0	115.4	H182 E186 H197 F199 H208 R477 L487	H182-D184 IonicContact CD2-OD1 3.25Å; H182-D184 IonicContact CD2-OD2 2.81Å; H182-D184 IonicContact CE1-OD1 3.65Å; H182-D184 IonicContact NE2-OD1 3.87Å; H182-D184 PolarHBondContact NE2-OD1 3.47Å; H182-D184 IonicContact NE2-OD2 3.38Å; H182-D184 PolarHBondContact NE2-OD2 3.48Å; D184-E186 PolarHBondContact OD1-N 2.89Å; D184-H197 IonicContact OD2-CD2 2.7Å; D184-H197 IonicContact OD2-CE1 3.6Å; D184-H197 IonicContact OD2-NE2 3.66Å; D184-H197 PolarHBondContact OD2-NE2 2.98Å; D184-F199 HydrophobicContact CB-CE2 4.03Å; D184-F199 HydrophobicContact CB-CZ 3.92Å; D184-F199 WeakPolarHBondContact OD2-CE2 3.11Å; D184-F199 WeakPolarHBondContact OD2-CZ 3.38Å; D184-H208 IonicContact OD2-CE1 3.31Å; D184-H208 PolarHBondContact OD2-CE1 2.55Å; D184-H208 IonicContact OD2-ND1 2.67Å; D184-H208 PolarHBondContact OD2-ND1 2.85Å; D184-R477 PolarHBondContact O-NH2 3.12Å; D184-R477 VanDerWaalsContact O-NH2 3.13Å; D184-L487 HydrophobicContact CB-CD1 4.01Å; D184-L487 HydrophobicContact CB-CD2 4.23Å
185	G	65.1	Low	83	Confident	32 Å²	32	44.6 Å²	44.6	33%	0.33	24%	0.239	S	C	.	.	S	Bend	trans	88.8	7.2	-178.2	0	0	0	0	0	114.5	G183 P187	G183-G185 VanDerWaalsContact C-N 3.3Å; G183-G185 PolarHBondContact O-N 3.3Å; G185-P187 WeakPolarHBondContact O-CD 3.19Å
186	E	71.1	Confident	83	Confident	68 Å²	68	44.5 Å²	44.5	32%	0.318	24%	0.238	S	C	.	.			trans	-119.9	78.5	176.3	-60	-56.5	145.3	0	0	109.5	H182 D184 H197 F199 K466	H182-E186 PolarHBondContact CE1-O 3.26Å; D184-E186 PolarHBondContact OD1-N 2.89Å; E186-H197 PolarHBondContact O-CE1 3.21Å; E186-F199 HydrophobicContact CG-CE1 4.16Å; E186-F199 HydrophobicContact CG-CZ 3.97Å; E186-K466 IonicContact OE1-NZ 3.15Å; E186-K466 PolarHBondContact OE1-NZ 3.2Å
187	P	75.7	Confident	83	Confident	46 Å²	46	44.8 Å²	44.8	30%	0.299	24%	0.239	S	C	.	.			trans	-71.1	143.1	-176.4	29.3	-36.2	0	0	0	113.6	K180 M181 G185	K180-P187 WeakPolarHBondContact O-CA 3.5Å; M181-P187 HydrophobicContact CE-CB 3.56Å; M181-P187 HydrophobicContact CE-CG 3.44Å; M181-P187 VanDerWaalsContact CE-CG 3.44Å; M181-P187 HydrophobicContact CG-CB 3.88Å; M181-P187 HydrophobicContact SD-CB 3.45Å; M181-P187 WeakPolarHBondContact SD-CB 3.3Å; M181-P187 HydrophobicContact SD-CG 3.8Å; G185-P187 WeakPolarHBondContact O-CD 3.19Å
188	F	85.3	Confident	82.9	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.039	24%	0.244	C	C	.	.			trans	-75.3	152.2	165	-60.6	-54.5	0	0	0	112.1	V178 K180 H182 G190 I194 H197 H208 F209 D210	V178-F188 HydrophobicContact CG2-CD2 4.25Å; V178-F188 HydrophobicContact CG2-CE2 3.61Å; V178-F188 WeakPolarHBondContact O-CD2 3.24Å; K180-F188 WeakPolarHBondContact CA-O 3.39Å; K180-F188 PolarHBondContact O-N 2.8Å; H182-F188 AromaticContact CE1-CD2 3.69Å; H182-F188 AromaticContact CE1-CE2 3.56Å; H182-F188 AromaticContact ND1-CD2 3.91Å; F188-G190 VanDerWaalsContact C-N 3.33Å; F188-I194 HydrophobicContact CD1-CB 4.19Å; F188-I194 HydrophobicContact CD1-CG2 3.73Å; F188-I194 HydrophobicContact CE1-CG2 3.91Å; F188-H197 AromaticContact CE1-CE1 3.76Å; F188-H197 AromaticContact CE1-ND1 3.23Å; F188-H197 WeakPolarHBondContact CE1-ND1 3.44Å; F188-H197 AromaticContact CZ-CE1 3.58Å; F188-H197 AromaticContact CZ-ND1 3.44Å; F188-H197 WeakPolarHBondContact CZ-ND1 3.28Å; F188-H208 HydrophobicContact CE2-CB 4.17Å; F188-H208 HydrophobicContact CZ-CB 3.88Å; F188-F209 VanDerWaalsContact CE2-C 3.49Å; F188-D210 HydrophobicContact CB-CB 3.96Å; F188-D210 VanDerWaalsContact CB-CG 3.48Å; F188-D210 WeakPolarHBondContact CB-OD2 3.42Å; F188-D210 HydrophobicContact CD1-CB 3.82Å; F188-D210 HydrophobicContact CD2-CB 3.65Å; F188-D210 HydrophobicContact CE1-CB 4.22Å; F188-D210 HydrophobicContact CE2-CB 4.03Å; F188-D210 HydrophobicContact CG-CB 3.54Å; F188-D210 HydrophobicContact CZ-CB 4.33Å
189	D	85.4	Confident	82.6	Confident	98 Å²	98	45.7 Å²	45.7	52%	0.524	25%	0.245	S	C	.	.			trans	-90.3	2.2	176.2	49.5	-16.6	0	0	0	113.4	G193 I194	D189-G193 WeakPolarHBondContact OD2-CA 3.29Å; D189-I194 WeakPolarHBondContact OD1-CB 3.13Å; D189-I194 PolarHBondContact OD1-N 2.94Å
190	G	88.5	Confident	82.5	Confident	6 Å²	6	42.8 Å²	42.8	6%	0.062	23%	0.232	C	C	.	.	S	Bend	trans	80.2	-165.8	-169.4	0	0	0	0	0	109.8	F188 G192 D210	F188-G190 VanDerWaalsContact C-N 3.33Å; G190-G192 PolarHBondContact O-N 2.7Å; G190-G192 VanDerWaalsContact O-O 3.09Å; G190-D210 WeakPolarHBondContact CA-OD2 3.3Å; G190-D210 PolarHBondContact N-OD2 3.2Å
191	R	89.4	Confident	82.6	Confident	190 Å²	190	36.9 Å²	36.9	72%	0.717	21%	0.207	S	C	*	.	S	Bend	trans	-51.7	126.3	-174.8	-168	175.4	-174.7	168.2	3.7	114.3
192	G	86	Confident	82.4	Confident	24 Å²	24	33 Å²	33	25%	0.247	19%	0.187	C	C	.	.	S	Bend	trans	97.9	-172.9	-173.8	0	0	0	0	0	111.8	G190 I194 E213	G190-G192 PolarHBondContact O-N 2.7Å; G190-G192 VanDerWaalsContact O-O 3.09Å; G192-I194 PolarHBondContact O-N 3.13Å; G192-E213 WeakPolarHBondContact CA-OE1 3.25Å; G192-E213 PolarHBondContact N-OE1 2.89Å
193	G	87.3	Confident	82.2	Confident	30 Å²	30	32.6 Å²	32.6	31%	0.309	18%	0.184	S	C	.	.	S	Bend	trans	61.9	-105.4	169.1	0	0	0	0	0	114.3	P104 R105 D189	P104-G193 WeakPolarHBondContact CA-O 3.28Å; P104-G193 WeakPolarHBondContact CB-O 3.37Å; R105-G193 PolarHBondContact N-O 2.6Å; D189-G193 WeakPolarHBondContact OD2-CA 3.29Å
194	I	89.7	Confident	82.8	Confident	9 Å²	9	31.6 Å²	31.6	5%	0.046	17%	0.174	C	C	.	.			trans	-92.7	105.2	-175.8	-53.1	169.8	0	0	0	109.7	P107 F188 D189 G192	P107-I194 HydrophobicContact CB-CD1 4.33Å; P107-I194 HydrophobicContact CB-CG1 4.31Å; P107-I194 HydrophobicContact CB-CG2 3.92Å; P107-I194 HydrophobicContact CG-CG2 3.62Å; F188-I194 HydrophobicContact CD1-CB 4.19Å; F188-I194 HydrophobicContact CD1-CG2 3.73Å; F188-I194 HydrophobicContact CE1-CG2 3.91Å; D189-I194 WeakPolarHBondContact OD1-CB 3.13Å; D189-I194 PolarHBondContact OD1-N 2.94Å; G192-I194 PolarHBondContact O-N 3.13Å
195	L	91.8	Very high	83.5	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.031	17%	0.172	C	C	.	.			trans	-79.8	-39.5	-176.1	-53.7	-178.1	0	0	0	112.7	P104 D210 E213 W215 L223 Y253	P104-L195 HydrophobicContact CB-CD1 3.8Å; P104-L195 HydrophobicContact CB-CD2 3.92Å; P104-L195 HydrophobicContact CB-CG 3.88Å; L195-D210 PolarHBondContact O-N 3.14Å; L195-E213 HydrophobicContact CD2-CG 4.06Å; L195-E213 WeakPolarHBondContact CD2-OE1 3.43Å; L195-W215 HydrophobicContact CB-CH2 4.09Å; L195-W215 WeakPolarHBondContact O-CH2 3.48Å; L195-W215 WeakPolarHBondContact O-CZ2 3.33Å; L195-L223 HydrophobicContact CB-CD2 4.1Å; L195-L223 HydrophobicContact CD1-CD1 3.5Å; L195-L223 VanDerWaalsContact CD1-CD1 3.5Å; L195-L223 HydrophobicContact CD1-CD2 3.82Å; L195-L223 HydrophobicContact CD1-CG 4.27Å; L195-L223 HydrophobicContact CD2-CD2 3.73Å; L195-L223 HydrophobicContact CG-CD2 4.07Å; L195-Y253 HydrophobicContact CB-CE2 3.85Å; L195-Y253 HydrophobicContact CD1-CD2 3.37Å; L195-Y253 HydrophobicContact CD1-CE2 3.48Å; L195-Y253 VanDerWaalsContact CD1-CE2 3.48Å; L195-Y253 HydrophobicContact CD1-CG 4.3Å; L195-Y253 HydrophobicContact CG-CD2 4.19Å; L195-Y253 HydrophobicContact CG-CE2 3.8Å
196	A	94.9	Very high	84.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	168.6	-177.6	0	0	0	0	0	109.3	P107 H208 F209 V228 E232	P107-A196 WeakPolarHBondContact CD-O 3.47Å; A196-H208 CarbonylContact C-O 3.59Å; A196-H208 WeakPolarHBondContact CA-O 3.42Å; A196-H208 VanDerWaalsContact CB-O 3.29Å; A196-H208 WeakPolarHBondContact CB-O 3.25Å; A196-F209 HydrophobicContact CB-CD1 3.74Å; A196-F209 HydrophobicContact CB-CE1 4.14Å; A196-F209 HydrophobicContact CB-CG 4.4Å; A196-V228 HydrophobicContact CB-CG1 3.54Å; A196-E232 HydrophobicContact CB-CG 3.64Å
197	H	91.8	Very high	85.6	Confident	10 Å²	10	27.2 Å²	27.2	5%	0.046	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156	164.9	61	-102.2	0	0	0	111.1	P107 H182 D184 E186 F188 F199 H208 E232	P107-H197 HydrophobicContact CG-CB 3.69Å; H182-H197 AromaticContact CE1-CE1 3.5Å; H182-H197 PolarHBondContact CE1-CE1 3.36Å; H182-H197 VanDerWaalsContact CE1-CE1 3.5Å; H182-H197 AromaticContact NE2-CE1 3.35Å; H182-H197 PolarHBondContact NE2-CE1 3.1Å; H182-H197 AromaticContact NE2-NE2 3.6Å; D184-H197 IonicContact OD2-CD2 2.7Å; D184-H197 IonicContact OD2-CE1 3.6Å; D184-H197 IonicContact OD2-NE2 3.66Å; D184-H197 PolarHBondContact OD2-NE2 2.98Å; E186-H197 PolarHBondContact O-CE1 3.21Å; F188-H197 AromaticContact CE1-CE1 3.76Å; F188-H197 AromaticContact CE1-ND1 3.23Å; F188-H197 WeakPolarHBondContact CE1-ND1 3.44Å; F188-H197 AromaticContact CZ-CE1 3.58Å; F188-H197 AromaticContact CZ-ND1 3.44Å; F188-H197 WeakPolarHBondContact CZ-ND1 3.28Å; H197-F199 AromaticContact CD2-CE2 3.93Å; H197-F199 AromaticContact NE2-CE2 3.98Å; H197-H208 PolarHBondContact N-O 3.19Å; H197-H208 AromaticContact NE2-CG 3.87Å; H197-H208 AromaticContact NE2-ND1 3.33Å; H197-H208 PolarHBondContact NE2-ND1 3.48Å; H197-H208 PolarHBondContact O-N 2.79Å; H197-E232 VanDerWaalsContact CA-OE2 3.26Å; H197-E232 WeakPolarHBondContact CA-OE2 3.37Å
198	A	92.9	Very high	86.5	Confident	18 Å²	18	25.6 Å²	25.6	15%	0.149	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.4	174.4	0	0	0	0	0	111.7	S206 I207 E232 H235	A198-S206 WeakPolarHBondContact CA-O 3.35Å; A198-I207 HydrophobicContact CB-CB 4.43Å; A198-I207 HydrophobicContact CB-CG1 3.9Å; A198-I207 HydrophobicContact CB-CG2 4.47Å; A198-E232 HydrophobicContact CB-CB 4Å; A198-E232 WeakPolarHBondContact CB-O 3.36Å; A198-E232 WeakPolarHBondContact CB-OE2 3.07Å; A198-E232 PolarHBondContact N-OE2 3.39Å; A198-H235 HydrophobicContact CB-CB 3.73Å
199	F	83.7	Confident	87	Confident	19 Å²	19	25.2 Å²	25.2	8%	0.083	13%	0.133	C	C	.	.			trans	-97.4	139.7	173.5	-69.1	-70.8	0	0	0	110.4	D184 E186 H197 G205 S206	D184-F199 HydrophobicContact CB-CE2 4.03Å; D184-F199 HydrophobicContact CB-CZ 3.92Å; D184-F199 WeakPolarHBondContact OD2-CE2 3.11Å; D184-F199 WeakPolarHBondContact OD2-CZ 3.38Å; E186-F199 HydrophobicContact CG-CE1 4.16Å; E186-F199 HydrophobicContact CG-CZ 3.97Å; H197-F199 AromaticContact CD2-CE2 3.93Å; H197-F199 AromaticContact NE2-CE2 3.98Å; F199-G205 CarbonylContact O-C 3.46Å; F199-G205 WeakPolarHBondContact O-CA 3.44Å; F199-G205 PolarHBondContact O-N 2.79Å; F199-S206 VanDerWaalsContact CD2-OG 3.26Å; F199-S206 WeakPolarHBondContact CD2-OG 3.47Å; F199-S206 PolarHBondContact N-O 2.78Å
200	F	85.6	Confident	87.4	Confident	26 Å²	26	20.6 Å²	20.6	11%	0.114	11%	0.108	C	C	.	.			trans	-57.2	159	169.9	-68.3	-70.4	0	0	0	112.3	Q202 Y203 G204 G205 H235 L239 K240	F200-Q202 VanDerWaalsContact C-N 3.3Å; F200-Q202 HydrophobicContact CB-CG 4.49Å; F200-Q202 PolarHBondContact O-N 2.94Å; F200-Q202 VanDerWaalsContact O-N 3.17Å; F200-Y203 HydrophobicContact CB-CD2 3.97Å; F200-Y203 HydrophobicContact CB-CE2 4.45Å; F200-Y203 HydrophobicContact CD2-CD2 4.45Å; F200-Y203 HydrophobicContact CD2-CE2 4.42Å; F200-Y203 WeakPolarHBondContact O-CB 3.34Å; F200-Y203 PolarHBondContact O-N 2.94Å; F200-G204 PolarHBondContact O-N 2.53Å; F200-G205 PolarHBondContact O-N 2.89Å; F200-H235 VanDerWaalsContact CD1-O 3.29Å; F200-H235 WeakPolarHBondContact CD1-O 3.5Å; F200-L239 WeakPolarHBondContact CE1-O 3.29Å; F200-K240 HydrophobicContact CE1-CG 4.01Å; F200-K240 HydrophobicContact CZ-CG 3.68Å
201	P	84.5	Confident	87.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-45.8	-49.1	-178.4	-31.3	34.5	0	0	0	114	S121 W123 Y203 G204 S236 R492 W497	S121-P201 WeakPolarHBondContact O-CG 3.41Å; W123-P201 HydrophobicContact CD2-CB 4.11Å; W123-P201 HydrophobicContact CD2-CG 4.49Å; W123-P201 HydrophobicContact CG-CB 4.27Å; W123-P201 HydrophobicContact CG-CG 4.31Å; W123-P201 HydrophobicContact CZ2-CB 4.33Å; P201-Y203 PolarHBondContact O-N 3.43Å; P201-G204 PolarHBondContact O-N 2.9Å; P201-G204 VanDerWaalsContact O-N 3.14Å; P201-S236 WeakPolarHBondContact CD-O 3.37Å; P201-S236 VanDerWaalsContact CG-O 3.28Å; P201-S236 WeakPolarHBondContact CG-O 3.21Å; P201-R492 PolarHBondContact O-NH1 2.94Å; P201-W497 HydrophobicContact CB-CH2 3.88Å; P201-W497 HydrophobicContact CB-CZ3 3.68Å; P201-W497 WeakPolarHBondContact O-CH2 3.44Å; P201-W497 WeakPolarHBondContact O-CZ3 3.42Å
202	Q	70.5	Confident	87.9	Confident	28 Å²	28	14 Å²	14	13%	0.131	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-55.4	-22.6	-179.6	70.8	-166.6	72.9	0	0	114.4	S121 F200 Y475	S121-Q202 WeakPolarHBondContact OG-CB 3.32Å; S121-Q202 VanDerWaalsContact OG-CG 3.3Å; S121-Q202 WeakPolarHBondContact OG-CG 3.45Å; S121-Q202 PolarHBondContact OG-N 2.65Å; S121-Q202 VanDerWaalsContact OG-N 3.16Å; S121-Q202 PolarHBondContact OG-OE1 3.11Å; F200-Q202 VanDerWaalsContact C-N 3.3Å; F200-Q202 HydrophobicContact CB-CG 4.49Å; F200-Q202 PolarHBondContact O-N 2.94Å; F200-Q202 VanDerWaalsContact O-N 3.17Å; Q202-Y475 PolarHBondContact O-OH 3.36Å
203	Y	72.9	Confident	88.2	Confident	37 Å²	37	13.6 Å²	13.6	15%	0.145	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-106.9	-0.5	-173.1	-63.4	-46	0	0	0	114.8	F200 P201 W462 N464 Y468 Y490	F200-Y203 HydrophobicContact CB-CD2 3.97Å; F200-Y203 HydrophobicContact CB-CE2 4.45Å; F200-Y203 HydrophobicContact CD2-CD2 4.45Å; F200-Y203 HydrophobicContact CD2-CE2 4.42Å; F200-Y203 WeakPolarHBondContact O-CB 3.34Å; F200-Y203 PolarHBondContact O-N 2.94Å; P201-Y203 PolarHBondContact O-N 3.43Å; Y203-W462 HydrophobicContact CD1-CZ3 4.21Å; Y203-W462 AromaticContact CE1-CE3 3.65Å; Y203-W462 HydrophobicContact CE1-CE3 3.65Å; Y203-W462 HydrophobicContact CE1-CH2 4.36Å; Y203-W462 AromaticContact CE1-CZ3 3.29Å; Y203-W462 HydrophobicContact CE1-CZ3 3.29Å; Y203-W462 AromaticContact CZ-CZ3 3.89Å; Y203-N464 HydrophobicContact CE1-CB 4.47Å; Y203-N464 WeakPolarHBondContact CE1-ND2 3.46Å; Y203-N464 VanDerWaalsContact CZ-ND2 3.35Å; Y203-N464 PolarHBondContact OH-ND2 2.77Å; Y203-Y468 WeakPolarHBondContact CD1-OH 3.42Å; Y203-Y468 VanDerWaalsContact CE1-OH 3.29Å; Y203-Y468 WeakPolarHBondContact CE1-OH 3.38Å; Y203-Y490 VanDerWaalsContact C-OH 3.25Å; Y203-Y490 PolarHBondContact O-OH 3.46Å
204	G	75.4	Confident	88.3	Confident	3 Å²	3	14.3 Å²	14.3	3%	0.031	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	133.4	-31.6	-172.9	0	0	0	0	0	114.3	F200 P201 S206 R492	F200-G204 PolarHBondContact O-N 2.53Å; P201-G204 PolarHBondContact O-N 2.9Å; P201-G204 VanDerWaalsContact O-N 3.14Å; G204-S206 PolarHBondContact O-N 2.65Å; G204-R492 VanDerWaalsContact CA-NH1 3.29Å; G204-R492 VanDerWaalsContact CA-NH2 3.3Å; G204-R492 PolarHBondContact O-NH2 3.48Å
205	G	86	Confident	88.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.			trans	63.6	-1.1	-164.8	0	0	0	0	0	114.7	I173 F199 F200 S236	I173-G205 WeakPolarHBondContact CG2-O 3.33Å; F199-G205 CarbonylContact O-C 3.46Å; F199-G205 WeakPolarHBondContact O-CA 3.44Å; F199-G205 PolarHBondContact O-N 2.79Å; F200-G205 PolarHBondContact O-N 2.89Å; G205-S236 WeakPolarHBondContact CA-OG 3.35Å; G205-S236 WeakPolarHBondContact O-CB 3.47Å; G205-S236 PolarHBondContact O-OG 2.85Å
206	S	86.7	Confident	87.8	Confident	12 Å²	12	16 Å²	16	8%	0.084	9%	0.088	C	C	.	.			trans	-70.3	145	-168.8	58.9	0	0	0	0	110.9	D174 A198 F199 G204	D174-S206 CarbonylContact O-C 3.53Å; D174-S206 VanDerWaalsContact O-CA 3.24Å; D174-S206 WeakPolarHBondContact O-CA 3.34Å; D174-S206 WeakPolarHBondContact O-CB 3.24Å; A198-S206 WeakPolarHBondContact CA-O 3.35Å; F199-S206 VanDerWaalsContact CD2-OG 3.26Å; F199-S206 WeakPolarHBondContact CD2-OG 3.47Å; F199-S206 PolarHBondContact N-O 2.78Å; G204-S206 PolarHBondContact O-N 2.65Å
207	I	94.5	Very high	86.6	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125	-174.9	-54.1	176	0	0	0	108.2	I173 D174 I175 A176 A198 F209 E232 I233	I173-I207 HydrophobicContact CG2-CD1 4.09Å; I173-I207 HydrophobicContact CG2-CG1 4.24Å; D174-I207 PolarHBondContact O-N 3Å; I175-I207 WeakPolarHBondContact CA-O 3.33Å; I175-I207 HydrophobicContact CG1-CB 4.23Å; I175-I207 HydrophobicContact CG1-CD1 4.37Å; A176-I207 PolarHBondContact N-O 2.89Å; A198-I207 HydrophobicContact CB-CB 4.43Å; A198-I207 HydrophobicContact CB-CG1 3.9Å; A198-I207 HydrophobicContact CB-CG2 4.47Å; I207-F209 HydrophobicContact CG2-CD2 4.21Å; I207-F209 HydrophobicContact CG2-CE2 3.55Å; I207-F209 HydrophobicContact CG2-CZ 3.77Å; I207-E232 HydrophobicContact CD1-CB 4.36Å; I207-E232 HydrophobicContact CG1-CB 4.49Å; I207-E232 HydrophobicContact CG2-CB 3.54Å; I207-E232 HydrophobicContact CG2-CG 4.03Å; I207-I233 HydrophobicContact CD1-CB 4.44Å; I207-I233 HydrophobicContact CD1-CG1 3.65Å
208	H	93.4	Very high	85.1	Confident	12 Å²	12	17.5 Å²	17.5	6%	0.056	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.8	176.9	-61.3	158.2	0	0	0	110.5	A176 V178 H182 D184 F188 A196 H197	A176-H208 VanDerWaalsContact O-CA 3.27Å; A176-H208 WeakPolarHBondContact O-CA 3.44Å; V178-H208 HydrophobicContact CG2-CB 3.92Å; H182-H208 AromaticContact CD2-CE1 3.9Å; H182-H208 AromaticContact CD2-ND1 3.41Å; H182-H208 PolarHBondContact CD2-ND1 2.88Å; H182-H208 AromaticContact NE2-CE1 3.98Å; H182-H208 AromaticContact NE2-CG 3.8Å; H182-H208 AromaticContact NE2-ND1 3.08Å; H182-H208 PolarHBondContact NE2-ND1 3.22Å; D184-H208 IonicContact OD2-CE1 3.31Å; D184-H208 PolarHBondContact OD2-CE1 2.55Å; D184-H208 IonicContact OD2-ND1 2.67Å; D184-H208 PolarHBondContact OD2-ND1 2.85Å; F188-H208 HydrophobicContact CE2-CB 4.17Å; F188-H208 HydrophobicContact CZ-CB 3.88Å; A196-H208 CarbonylContact C-O 3.59Å; A196-H208 WeakPolarHBondContact CA-O 3.42Å; A196-H208 VanDerWaalsContact CB-O 3.29Å; A196-H208 WeakPolarHBondContact CB-O 3.25Å; H197-H208 PolarHBondContact N-O 3.19Å; H197-H208 AromaticContact NE2-CG 3.87Å; H197-H208 AromaticContact NE2-ND1 3.33Å; H197-H208 PolarHBondContact NE2-ND1 3.48Å; H197-H208 PolarHBondContact O-N 2.79Å
209	F	95.6	Very high	83.4	Confident	1 Å²	1	20.7 Å²	20.7	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.5	174.6	-65.1	-86.6	0	0	0	109.2	I175 A176 F177 V178 F188 A196 I207 D211 W215 L225 V228 A229	I175-F209 HydrophobicContact CG2-CD2 3.97Å; I175-F209 HydrophobicContact CG2-CE2 3.62Å; A176-F209 PolarHBondContact O-N 3.13Å; F177-F209 WeakPolarHBondContact CA-O 3.2Å; F177-F209 HydrophobicContact CD1-CB 3.52Å; F177-F209 HydrophobicContact CD1-CG 4.26Å; F177-F209 HydrophobicContact CE1-CB 3.61Å; F177-F209 HydrophobicContact CE1-CD2 4.2Å; F177-F209 AromaticContact CE1-CG 3.89Å; F177-F209 HydrophobicContact CE1-CG 3.89Å; F177-F209 HydrophobicContact CE2-CD2 4.18Å; F177-F209 HydrophobicContact CG-CB 4.13Å; F177-F209 HydrophobicContact CZ-CB 4.26Å; F177-F209 AromaticContact CZ-CD2 3.99Å; F177-F209 HydrophobicContact CZ-CD2 3.99Å; F177-F209 HydrophobicContact CZ-CG 4.12Å; V178-F209 PolarHBondContact N-O 3.01Å; F188-F209 VanDerWaalsContact CE2-C 3.49Å; A196-F209 HydrophobicContact CB-CD1 3.74Å; A196-F209 HydrophobicContact CB-CE1 4.14Å; A196-F209 HydrophobicContact CB-CG 4.4Å; I207-F209 HydrophobicContact CG2-CD2 4.21Å; I207-F209 HydrophobicContact CG2-CE2 3.55Å; I207-F209 HydrophobicContact CG2-CZ 3.77Å; F209-D211 PolarHBondContact O-N 2.84Å; F209-D211 VanDerWaalsContact O-N 3.14Å; F209-W215 HydrophobicContact CB-CH2 4.43Å; F209-W215 HydrophobicContact CB-CZ2 3.72Å; F209-W215 AromaticContact CD1-CH2 3.66Å; F209-W215 HydrophobicContact CD1-CH2 3.66Å; F209-W215 AromaticContact CD1-CZ2 3.83Å; F209-W215 HydrophobicContact CD1-CZ2 3.83Å; F209-W215 HydrophobicContact CD1-CZ3 4.12Å; F209-W215 HydrophobicContact CG-CZ2 4.26Å; F209-L225 HydrophobicContact CD1-CD1 3.71Å; F209-L225 HydrophobicContact CE1-CD1 3.56Å; F209-L225 HydrophobicContact CG-CD1 4.28Å; F209-L225 HydrophobicContact CZ-CD1 4.01Å; F209-V228 HydrophobicContact CD1-CG1 4.27Å; F209-V228 HydrophobicContact CE1-CB 4.43Å; F209-V228 HydrophobicContact CE1-CG1 3.96Å; F209-A229 HydrophobicContact CE1-CB 4.11Å; F209-A229 HydrophobicContact CZ-CB 3.68Å
210	D	94.2	Very high	81.9	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	108	176.2	-171.6	5.3	0	0	0	110.7	V178 F188 G190 L195 D212 E213 W215	V178-D210 CarbonylContact O-C 3.49Å; V178-D210 WeakPolarHBondContact O-CA 3.27Å; F188-D210 HydrophobicContact CB-CB 3.96Å; F188-D210 VanDerWaalsContact CB-CG 3.48Å; F188-D210 WeakPolarHBondContact CB-OD2 3.42Å; F188-D210 HydrophobicContact CD1-CB 3.82Å; F188-D210 HydrophobicContact CD2-CB 3.65Å; F188-D210 HydrophobicContact CE1-CB 4.22Å; F188-D210 HydrophobicContact CE2-CB 4.03Å; F188-D210 HydrophobicContact CG-CB 3.54Å; F188-D210 HydrophobicContact CZ-CB 4.33Å; G190-D210 WeakPolarHBondContact CA-OD2 3.3Å; G190-D210 PolarHBondContact N-OD2 3.2Å; L195-D210 PolarHBondContact O-N 3.14Å; D210-D212 PolarHBondContact O-N 3.49Å; D210-D212 WeakPolarHBondContact OD1-CB 3.33Å; D210-D212 PolarHBondContact OD1-N 3.5Å; D210-E213 HydrophobicContact CB-CG 4.1Å; D210-E213 VanDerWaalsContact O-CB 3.3Å; D210-E213 WeakPolarHBondContact O-CB 3.38Å; D210-E213 PolarHBondContact O-N 3.1Å; D210-W215 PolarHBondContact O-NE1 3.14Å
211	D	95.4	Very high	80.6	Confident	12 Å²	12	32 Å²	32	6%	0.064	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-2.7	179	-169.3	48.4	0	0	0	113	S136 T137 F177 V178 K179 F209 E213	S136-D211 WeakPolarHBondContact CA-OD1 3.36Å; S136-D211 WeakPolarHBondContact CB-OD1 3.44Å; S136-D211 PolarHBondContact OG-OD1 3.19Å; T137-D211 WeakPolarHBondContact CG2-OD2 3.43Å; T137-D211 PolarHBondContact N-OD1 2.9Å; T137-D211 PolarHBondContact N-OD2 3.18Å; T137-D211 PolarHBondContact OG1-OD2 3.2Å; F177-D211 HydrophobicContact CB-CB 4.06Å; V178-D211 PolarHBondContact O-N 2.88Å; K179-D211 HydrophobicContact CD-CB 4.42Å; K179-D211 WeakPolarHBondContact CE-O 3.44Å; K179-D211 WeakPolarHBondContact CE-OD2 3.38Å; K179-D211 HydrophobicContact CG-CB 3.77Å; K179-D211 PolarHBondContact NZ-O 2.95Å; K179-D211 IonicContact NZ-OD2 2.78Å; F209-D211 PolarHBondContact O-N 2.84Å; F209-D211 VanDerWaalsContact O-N 3.14Å; D211-E213 VanDerWaalsContact C-N 3.25Å
212	D	94.1	Very high	79.7	Confident	47 Å²	47	34.7 Å²	34.7	25%	0.251	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.3	165.5	-74.6	-32	0	0	0	112.4	K179 K180 D210	K179-D212 WeakPolarHBondContact CD-OD1 3.48Å; K179-D212 WeakPolarHBondContact CE-OD1 3.48Å; K179-D212 IonicContact NZ-OD1 3.38Å; K179-D212 PolarHBondContact NZ-OD1 2.69Å; K180-D212 WeakPolarHBondContact CE-OD2 3.47Å; D210-D212 PolarHBondContact O-N 3.49Å; D210-D212 WeakPolarHBondContact OD1-CB 3.33Å; D210-D212 PolarHBondContact OD1-N 3.5Å
213	E	91.7	Very high	79.9	Confident	15 Å²	15	35.3 Å²	35.3	7%	0.07	22%	0.216	C	C	.	.	S	Bend	trans	-79.6	150.8	173.8	-68.5	-62.9	168.8	0	0	114.2	G192 L195 D210 D211 W215 L223	G192-E213 WeakPolarHBondContact CA-OE1 3.25Å; G192-E213 PolarHBondContact N-OE1 2.89Å; L195-E213 HydrophobicContact CD2-CG 4.06Å; L195-E213 WeakPolarHBondContact CD2-OE1 3.43Å; D210-E213 HydrophobicContact CB-CG 4.1Å; D210-E213 VanDerWaalsContact O-CB 3.3Å; D210-E213 WeakPolarHBondContact O-CB 3.38Å; D210-E213 PolarHBondContact O-N 3.1Å; D211-E213 VanDerWaalsContact C-N 3.25Å; E213-W215 VanDerWaalsContact C-N 3.29Å; E213-W215 HydrophobicContact CB-CD2 4.26Å; E213-W215 HydrophobicContact CB-CG 4.46Å; E213-W215 HydrophobicContact CB-CZ2 3.99Å; E213-W215 HydrophobicContact CG-CZ2 4.16Å; E213-W215 PolarHBondContact O-N 2.81Å; E213-W215 VanDerWaalsContact O-N 3.1Å; E213-L223 HydrophobicContact CB-CD2 4Å; E213-L223 HydrophobicContact CG-CD2 3.91Å
214	A	88.7	Confident	80.6	Confident	44 Å²	44	34.8 Å²	34.8	36%	0.364	22%	0.215	S	C	.	.			trans	-85.5	71.9	171.8	0	0	0	0	0	110.3	N216 L223	A214-N216 PolarHBondContact O-N 2.92Å; A214-L223 PolarHBondContact O-N 3.27Å
215	W	89.4	Confident	81.3	Confident	10 Å²	10	34.7 Å²	34.7	4%	0.038	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	123.7	178.8	-65.6	106.4	0	0	0	111.4	S139 F177 L195 F209 D210 E213 L223 L225 V228	S139-W215 PolarHBondContact OG-O 2.85Å; F177-W215 AromaticContact CD1-CD1 3.79Å; F177-W215 HydrophobicContact CD1-CG 4.45Å; F177-W215 AromaticContact CD1-NE1 3.73Å; F177-W215 AromaticContact CE1-CD1 3.69Å; F177-W215 HydrophobicContact CE1-CD2 4.18Å; F177-W215 AromaticContact CE1-CG 3.92Å; F177-W215 HydrophobicContact CE1-CG 3.92Å; F177-W215 AromaticContact CE1-NE1 3.79Å; L195-W215 HydrophobicContact CB-CH2 4.09Å; L195-W215 WeakPolarHBondContact O-CH2 3.48Å; L195-W215 WeakPolarHBondContact O-CZ2 3.33Å; F209-W215 HydrophobicContact CB-CH2 4.43Å; F209-W215 HydrophobicContact CB-CZ2 3.72Å; F209-W215 AromaticContact CD1-CH2 3.66Å; F209-W215 HydrophobicContact CD1-CH2 3.66Å; F209-W215 AromaticContact CD1-CZ2 3.83Å; F209-W215 HydrophobicContact CD1-CZ2 3.83Å; F209-W215 HydrophobicContact CD1-CZ3 4.12Å; F209-W215 HydrophobicContact CG-CZ2 4.26Å; D210-W215 PolarHBondContact O-NE1 3.14Å; E213-W215 VanDerWaalsContact C-N 3.29Å; E213-W215 HydrophobicContact CB-CD2 4.26Å; E213-W215 HydrophobicContact CB-CG 4.46Å; E213-W215 HydrophobicContact CB-CZ2 3.99Å; E213-W215 HydrophobicContact CG-CZ2 4.16Å; E213-W215 PolarHBondContact O-N 2.81Å; E213-W215 VanDerWaalsContact O-N 3.1Å; W215-L223 HydrophobicContact CD2-CD2 4.36Å; W215-L223 HydrophobicContact CE3-CB 4.44Å; W215-L223 HydrophobicContact CE3-CD2 3.79Å; W215-L223 HydrophobicContact CE3-CG 4.01Å; W215-L223 HydrophobicContact CH2-CD2 3.54Å; W215-L223 HydrophobicContact CH2-CG 4.38Å; W215-L223 HydrophobicContact CZ2-CD2 4.12Å; W215-L223 HydrophobicContact CZ3-CD2 3.36Å; W215-L223 HydrophobicContact CZ3-CG 3.73Å; W215-L225 HydrophobicContact CD2-CD1 4.14Å; W215-L225 HydrophobicContact CE3-CB 3.88Å; W215-L225 HydrophobicContact CE3-CD1 3.73Å; W215-L225 HydrophobicContact CE3-CG 4.4Å; W215-L225 HydrophobicContact CZ3-CD1 4.09Å; W215-V228 HydrophobicContact CH2-CB 4.35Å; W215-V228 HydrophobicContact CH2-CG1 4Å; W215-V228 HydrophobicContact CH2-CG2 4.47Å; W215-V228 HydrophobicContact CZ3-CB 3.99Å; W215-V228 HydrophobicContact CZ3-CG1 4.16Å; W215-V228 HydrophobicContact CZ3-CG2 4.03Å
216	N	81.3	Confident	81.5	Confident	40 Å²	40	36 Å²	36	21%	0.214	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.3	164.6	-166.9	9.6	0	0	0	109.8	A214 G218 A220 L223 L225	A214-N216 PolarHBondContact O-N 2.92Å; N216-G218 PolarHBondContact ND2-O 3.39Å; N216-G218 VanDerWaalsContact ND2-O 3.13Å; N216-G218 PolarHBondContact O-N 2.63Å; N216-G218 PolarHBondContact OD1-N 3Å; N216-A220 VanDerWaalsContact ND2-C 3.32Å; N216-A220 PolarHBondContact ND2-O 2.91Å; N216-L223 PolarHBondContact N-O 2.79Å; N216-L225 PolarHBondContact O-N 3.15Å; N216-L225 VanDerWaalsContact O-N 3.11Å
217	P	70.5	Confident	81.7	Confident	19 Å²	19	35.6 Å²	35.6	12%	0.123	22%	0.217	C	C	.	.	S	Bend	trans	-71.4	-9.7	174.2	24.9	-31.1	0	0	0	114.3	S143 A147 L225	S143-P217 VanDerWaalsContact O-CB 3.28Å; S143-P217 WeakPolarHBondContact O-CB 3.17Å; A147-P217 HydrophobicContact CB-CB 4.03Å; P217-L225 HydrophobicContact CB-CD2 4.39Å
218	G	61.4	Low	81.6	Confident	24 Å²	24	35.7 Å²	35.7	25%	0.247	22%	0.217	C	C	.	.	S	Bend	trans	-116.1	171.8	178.1	0	0	0	0	0	115	N216 A220	N216-G218 PolarHBondContact ND2-O 3.39Å; N216-G218 VanDerWaalsContact ND2-O 3.13Å; N216-G218 PolarHBondContact O-N 2.63Å; N216-G218 PolarHBondContact OD1-N 3Å; G218-A220 PolarHBondContact O-N 2.96Å
219	P	55.1	Low	81.7	Confident	84 Å²	84	35.2 Å²	35.2	55%	0.545	22%	0.215	S	C	.	.	S	Bend	trans	-73.2	7.7	-175	34.9	-43.2	0	0	0	115.2	N259	P219-N259 WeakPolarHBondContact CB-OD1 3.35Å; P219-N259 WeakPolarHBondContact CG-OD1 3.15Å
220	A	53.6	Low	81.7	Confident	68 Å²	68	35.1 Å²	35.1	56%	0.562	22%	0.215	S	C	*	.	S	Bend	trans	-91.1	161.5	-179.7	0	0	0	0	0	110.9	N216 G218 G222	N216-A220 VanDerWaalsContact ND2-C 3.32Å; N216-A220 PolarHBondContact ND2-O 2.91Å; G218-A220 PolarHBondContact O-N 2.96Å; A220-G222 PolarHBondContact O-N 3.38Å; A220-G222 VanDerWaalsContact O-N 3.13Å
221	K	58.6	Low	81.7	Confident	216 Å²	216	35.2 Å²	35.2	94%	0.939	22%	0.215	S	C	*	.	S	Bend	trans	-40.3	116.3	-174.7	-64.9	177.1	178.5	177.9	0	113.8
222	G	64.2	Low	81.8	Confident	55 Å²	55	34.7 Å²	34.7	57%	0.567	21%	0.212	S	C	*	.	S	Bend	trans	159.8	-177	-178.6	0	0	0	0	0	110.7	A220	A220-G222 PolarHBondContact O-N 3.38Å; A220-G222 VanDerWaalsContact O-N 3.13Å
223	L	75.5	Confident	82	Confident	42 Å²	42	32.5 Å²	32.5	22%	0.22	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.7	172.7	-178.1	63.4	0	0	0	109.7	L195 E213 A214 W215 N216 L225 V228	L195-L223 HydrophobicContact CB-CD2 4.1Å; L195-L223 HydrophobicContact CD1-CD1 3.5Å; L195-L223 VanDerWaalsContact CD1-CD1 3.5Å; L195-L223 HydrophobicContact CD1-CD2 3.82Å; L195-L223 HydrophobicContact CD1-CG 4.27Å; L195-L223 HydrophobicContact CD2-CD2 3.73Å; L195-L223 HydrophobicContact CG-CD2 4.07Å; E213-L223 HydrophobicContact CB-CD2 4Å; E213-L223 HydrophobicContact CG-CD2 3.91Å; A214-L223 PolarHBondContact O-N 3.27Å; W215-L223 HydrophobicContact CD2-CD2 4.36Å; W215-L223 HydrophobicContact CE3-CB 4.44Å; W215-L223 HydrophobicContact CE3-CD2 3.79Å; W215-L223 HydrophobicContact CE3-CG 4.01Å; W215-L223 HydrophobicContact CH2-CD2 3.54Å; W215-L223 HydrophobicContact CH2-CG 4.38Å; W215-L223 HydrophobicContact CZ2-CD2 4.12Å; W215-L223 HydrophobicContact CZ3-CD2 3.36Å; W215-L223 HydrophobicContact CZ3-CG 3.73Å; N216-L223 PolarHBondContact N-O 2.79Å; L223-L225 PolarHBondContact O-N 3.34Å; L223-V228 HydrophobicContact CD1-CG2 4.48Å
224	D	86.5	Confident	82.3	Confident	26 Å²	26	31.8 Å²	31.8	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	98.3	-174.5	-176.4	-7.6	0	0	0	111.4	Y226 A227 V228	D224-Y226 PolarHBondContact O-N 2.64Å; D224-Y226 WeakPolarHBondContact OD1-CA 3.41Å; D224-Y226 WeakPolarHBondContact OD1-CB 3.36Å; D224-Y226 PolarHBondContact OD1-N 2.92Å; D224-A227 HydrophobicContact CB-CB 3.97Å; D224-A227 VanDerWaalsContact CG-CB 3.48Å; D224-A227 PolarHBondContact O-N 3.06Å; D224-A227 PolarHBondContact OD1-N 3.22Å; D224-A227 WeakPolarHBondContact OD2-CB 3.29Å; D224-V228 WeakPolarHBondContact O-CG2 3.23Å; D224-V228 PolarHBondContact O-N 3.26Å; D224-V228 VanDerWaalsContact O-N 3.16Å
225	L	90.4	Very high	82.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-33.4	177.4	176.6	62.2	0	0	0	111.7	I144 A147 F177 F209 W215 N216 P217 L223 A229	I144-L225 HydrophobicContact CB-CD2 4.37Å; I144-L225 HydrophobicContact CG1-CD2 4.12Å; I144-L225 HydrophobicContact CG2-CD2 4.24Å; A147-L225 HydrophobicContact CB-CD2 4.1Å; A147-L225 HydrophobicContact CB-CG 4.25Å; F177-L225 HydrophobicContact CE1-CD1 4Å; F177-L225 HydrophobicContact CE1-CD2 4.44Å; F177-L225 HydrophobicContact CZ-CD1 3.78Å; F177-L225 HydrophobicContact CZ-CD2 3.88Å; F209-L225 HydrophobicContact CD1-CD1 3.71Å; F209-L225 HydrophobicContact CE1-CD1 3.56Å; F209-L225 HydrophobicContact CG-CD1 4.28Å; F209-L225 HydrophobicContact CZ-CD1 4.01Å; W215-L225 HydrophobicContact CD2-CD1 4.14Å; W215-L225 HydrophobicContact CE3-CB 3.88Å; W215-L225 HydrophobicContact CE3-CD1 3.73Å; W215-L225 HydrophobicContact CE3-CG 4.4Å; W215-L225 HydrophobicContact CZ3-CD1 4.09Å; N216-L225 PolarHBondContact O-N 3.15Å; N216-L225 VanDerWaalsContact O-N 3.11Å; P217-L225 HydrophobicContact CB-CD2 4.39Å; L223-L225 PolarHBondContact O-N 3.34Å; L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 3.29Å
226	Y	90.8	Very high	82.8	Confident	28 Å²	28	29.3 Å²	29.3	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-45.2	-178.9	165.3	-126.6	0	0	0	111	K150 A151 V154 D224 A230 I261	K150-Y226 HydrophobicContact CB-CD2 3.8Å; K150-Y226 HydrophobicContact CB-CE2 3.63Å; A151-Y226 HydrophobicContact CB-CD2 4.09Å; A151-Y226 HydrophobicContact CB-CE2 4.39Å; V154-Y226 HydrophobicContact CG2-CE2 3.87Å; V154-Y226 VanDerWaalsContact CG2-OH 3.23Å; V154-Y226 WeakPolarHBondContact CG2-OH 3.06Å; D224-Y226 PolarHBondContact O-N 2.64Å; D224-Y226 WeakPolarHBondContact OD1-CA 3.41Å; D224-Y226 WeakPolarHBondContact OD1-CB 3.36Å; D224-Y226 PolarHBondContact OD1-N 2.92Å; Y226-A230 WeakPolarHBondContact O-CB 3.5Å; Y226-A230 PolarHBondContact O-N 3.2Å; Y226-I261 HydrophobicContact CD1-CD1 3.85Å; Y226-I261 HydrophobicContact CD1-CG1 4.2Å; Y226-I261 HydrophobicContact CD2-CD1 4.25Å; Y226-I261 HydrophobicContact CE1-CB 4.28Å; Y226-I261 HydrophobicContact CE1-CD1 3.51Å; Y226-I261 HydrophobicContact CE1-CG1 3.53Å; Y226-I261 HydrophobicContact CE2-CD1 3.89Å; Y226-I261 HydrophobicContact CG-CD1 4.22Å; Y226-I261 PolarHBondContact OH-N 2.92Å
227	A	91	Very high	83.4	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-51	175.1	0	0	0	0	0	113.1	D224 A229 A230 H231 I261	D224-A227 HydrophobicContact CB-CB 3.97Å; D224-A227 VanDerWaalsContact CG-CB 3.48Å; D224-A227 PolarHBondContact O-N 3.06Å; D224-A227 PolarHBondContact OD1-N 3.22Å; D224-A227 WeakPolarHBondContact OD2-CB 3.29Å; A227-A229 PolarHBondContact O-N 3.4Å; A227-A230 PolarHBondContact O-N 3.23Å; A227-H231 PolarHBondContact O-N 2.83Å; A227-H231 VanDerWaalsContact O-N 3.08Å; A227-I261 HydrophobicContact CB-CD1 4.42Å
228	V	93	Very high	84.4	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-43.3	-179.3	180	0	0	0	0	110.1	A196 F209 W215 L223 D224 A230 H231 E232 Y253	A196-V228 HydrophobicContact CB-CG1 3.54Å; F209-V228 HydrophobicContact CD1-CG1 4.27Å; F209-V228 HydrophobicContact CE1-CB 4.43Å; F209-V228 HydrophobicContact CE1-CG1 3.96Å; W215-V228 HydrophobicContact CH2-CB 4.35Å; W215-V228 HydrophobicContact CH2-CG1 4Å; W215-V228 HydrophobicContact CH2-CG2 4.47Å; W215-V228 HydrophobicContact CZ3-CB 3.99Å; W215-V228 HydrophobicContact CZ3-CG1 4.16Å; W215-V228 HydrophobicContact CZ3-CG2 4.03Å; L223-V228 HydrophobicContact CD1-CG2 4.48Å; D224-V228 WeakPolarHBondContact O-CG2 3.23Å; D224-V228 PolarHBondContact O-N 3.26Å; D224-V228 VanDerWaalsContact O-N 3.16Å; V228-A230 VanDerWaalsContact C-N 3.33Å; V228-A230 PolarHBondContact O-N 3.02Å; V228-H231 WeakPolarHBondContact O-CB 3.41Å; V228-H231 PolarHBondContact O-N 2.98Å; V228-E232 HydrophobicContact CG1-CG 4.21Å; V228-E232 WeakPolarHBondContact O-CG 3.09Å; V228-E232 PolarHBondContact O-N 3.32Å; V228-Y253 HydrophobicContact CB-CE1 4.4Å; V228-Y253 HydrophobicContact CG1-CE1 3.92Å; V228-Y253 HydrophobicContact CG2-CD1 3.96Å; V228-Y253 HydrophobicContact CG2-CE1 4.15Å; V228-Y253 HydrophobicContact CG2-CG 4.19Å
229	A	94.9	Very high	85.9	Confident	2 Å²	2	25.6 Å²	25.6	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-40.7	176.6	0	0	0	0	0	112.5	A151 F209 L225 A227 H231 E232 I233	A151-A229 HydrophobicContact CB-CB 3.73Å; F209-A229 HydrophobicContact CE1-CB 4.11Å; F209-A229 HydrophobicContact CZ-CB 3.68Å; L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 3.29Å; A227-A229 PolarHBondContact O-N 3.4Å; A229-H231 VanDerWaalsContact C-N 3.32Å; A229-H231 PolarHBondContact O-N 2.74Å; A229-E232 PolarHBondContact O-N 3.45Å; A229-I233 WeakPolarHBondContact O-CB 2.89Å; A229-I233 WeakPolarHBondContact O-CD1 3.47Å; A229-I233 WeakPolarHBondContact O-CG1 3.26Å; A229-I233 PolarHBondContact O-N 2.88Å
230	A	95.2	Very high	87.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-41.2	178	0	0	0	0	0	111.2	A151 V154 W155 Y226 A227 V228 G234 L248 I261	A151-A230 HydrophobicContact CB-CB 4.05Å; V154-A230 HydrophobicContact CG2-CB 4.47Å; W155-A230 WeakPolarHBondContact CZ2-O 3.49Å; W155-A230 PolarHBondContact NE1-O 3.15Å; Y226-A230 WeakPolarHBondContact O-CB 3.5Å; Y226-A230 PolarHBondContact O-N 3.2Å; A227-A230 PolarHBondContact O-N 3.23Å; V228-A230 VanDerWaalsContact C-N 3.33Å; V228-A230 PolarHBondContact O-N 3.02Å; A230-G234 PolarHBondContact O-N 3.42Å; A230-L248 HydrophobicContact CB-CD1 4.32Å; A230-L248 HydrophobicContact CB-CD2 3.79Å; A230-I261 HydrophobicContact CB-CD1 3.68Å
231	H	95.6	Very high	89.4	Confident	2 Å²	2	21 Å²	21	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-52.2	173.6	-177.8	99.8	0	0	0	112.2	A227 V228 A229 I233 G234 H235 H241 L248 M249 A250 Y253	A227-H231 PolarHBondContact O-N 2.83Å; A227-H231 VanDerWaalsContact O-N 3.08Å; V228-H231 WeakPolarHBondContact O-CB 3.41Å; V228-H231 PolarHBondContact O-N 2.98Å; A229-H231 VanDerWaalsContact C-N 3.32Å; A229-H231 PolarHBondContact O-N 2.74Å; H231-I233 VanDerWaalsContact C-N 3.29Å; H231-I233 PolarHBondContact O-N 3.43Å; H231-G234 WeakPolarHBondContact O-CA 3.4Å; H231-G234 PolarHBondContact O-N 3.02Å; H231-H235 AromaticContact CD2-CD2 3.87Å; H231-H235 AromaticContact CD2-NE2 3.85Å; H231-H235 AromaticContact NE2-CD2 3.77Å; H231-H235 AromaticContact NE2-NE2 3.25Å; H231-H235 PolarHBondContact NE2-NE2 2.92Å; H231-H235 PolarHBondContact O-N 3.08Å; H231-H241 AromaticContact CE1-CD2 3.83Å; H231-H241 AromaticContact CE1-NE2 3.96Å; H231-H241 AromaticContact NE2-CD2 3.83Å; H231-H241 AromaticContact NE2-NE2 3.61Å; H231-L248 PolarHBondContact ND1-O 2.95Å; H231-M249 VanDerWaalsContact O-SD 3.41Å; H231-A250 PolarHBondContact CE1-O 2.78Å; H231-Y253 HydrophobicContact CB-CE1 4.31Å; H231-Y253 AromaticContact CD2-CE1 3.89Å
232	E	97.1	Very high	91	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.5	-32.3	-178.8	-66.1	-44.1	138.3	0	0	113.2	A196 H197 A198 I207 V228 A229 G234 H235 S236 Y253	A196-E232 HydrophobicContact CB-CG 3.64Å; H197-E232 VanDerWaalsContact CA-OE2 3.26Å; H197-E232 WeakPolarHBondContact CA-OE2 3.37Å; A198-E232 HydrophobicContact CB-CB 4Å; A198-E232 WeakPolarHBondContact CB-O 3.36Å; A198-E232 WeakPolarHBondContact CB-OE2 3.07Å; A198-E232 PolarHBondContact N-OE2 3.39Å; I207-E232 HydrophobicContact CD1-CB 4.36Å; I207-E232 HydrophobicContact CG1-CB 4.49Å; I207-E232 HydrophobicContact CG2-CB 3.54Å; I207-E232 HydrophobicContact CG2-CG 4.03Å; V228-E232 HydrophobicContact CG1-CG 4.21Å; V228-E232 WeakPolarHBondContact O-CG 3.09Å; V228-E232 PolarHBondContact O-N 3.32Å; A229-E232 PolarHBondContact O-N 3.45Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 2.87Å; E232-H235 WeakPolarHBondContact O-CB 3.39Å; E232-H235 PolarHBondContact O-N 3.01Å; E232-H235 IonicContact OE2-CD2 2.6Å; E232-S236 PolarHBondContact O-N 3.14Å; E232-Y253 PolarHBondContact OE1-OH 3.5Å; E232-Y253 VanDerWaalsContact OE1-OH 3.06Å
233	I	97.7	Very high	92.1	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-63.1	-37.2	171.1	-69.9	162.8	0	0	0	110.2	A151 F152 W155 I207 A229 H231 H235 S236 L237	A151-I233 HydrophobicContact CB-CD1 3.6Å; F152-I233 HydrophobicContact CB-CD1 4.45Å; F152-I233 HydrophobicContact CD1-CD1 3.81Å; F152-I233 HydrophobicContact CD1-CG1 4.23Å; F152-I233 HydrophobicContact CD1-CG2 3.77Å; F152-I233 HydrophobicContact CD2-CD1 3.76Å; F152-I233 HydrophobicContact CE1-CB 4.49Å; F152-I233 HydrophobicContact CE1-CD1 3.9Å; F152-I233 HydrophobicContact CE1-CG1 3.89Å; F152-I233 HydrophobicContact CE1-CG2 3.74Å; F152-I233 HydrophobicContact CE2-CD1 3.83Å; F152-I233 HydrophobicContact CE2-CG1 4.34Å; F152-I233 HydrophobicContact CG-CD1 3.75Å; F152-I233 HydrophobicContact CZ-CD1 3.91Å; F152-I233 HydrophobicContact CZ-CG1 3.94Å; W155-I233 HydrophobicContact CG-CG2 4.21Å; I207-I233 HydrophobicContact CD1-CB 4.44Å; I207-I233 HydrophobicContact CD1-CG1 3.65Å; A229-I233 WeakPolarHBondContact O-CB 2.89Å; A229-I233 WeakPolarHBondContact O-CD1 3.47Å; A229-I233 WeakPolarHBondContact O-CG1 3.26Å; A229-I233 PolarHBondContact O-N 2.88Å; H231-I233 VanDerWaalsContact C-N 3.29Å; H231-I233 PolarHBondContact O-N 3.43Å; I233-H235 VanDerWaalsContact C-N 3.35Å; I233-H235 PolarHBondContact O-N 3.29Å; I233-S236 CarbonylContact O-C 3.44Å; I233-S236 WeakPolarHBondContact O-CA 3.29Å; I233-S236 WeakPolarHBondContact O-CB 3.45Å; I233-S236 PolarHBondContact O-N 3.16Å; I233-S236 VanDerWaalsContact O-N 3.14Å; I233-L237 HydrophobicContact CG2-CD1 4.01Å; I233-L237 HydrophobicContact CG2-CG 4.17Å; I233-L237 WeakPolarHBondContact O-CB 3.48Å; I233-L237 VanDerWaalsContact O-CG 3.25Å; I233-L237 WeakPolarHBondContact O-CG 3.22Å; I233-L237 PolarHBondContact O-N 2.79Å
234	G	97.1	Very high	92.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.8	-47.5	173.8	0	0	0	0	0	112	W155 A230 H231 E232 S236 L237 G238 L239	W155-G234 VanDerWaalsContact CZ2-CA 3.41Å; A230-G234 PolarHBondContact O-N 3.42Å; H231-G234 WeakPolarHBondContact O-CA 3.4Å; H231-G234 PolarHBondContact O-N 3.02Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 2.87Å; G234-S236 PolarHBondContact O-N 2.73Å; G234-L237 CarbonylContact O-C 3.52Å; G234-L237 WeakPolarHBondContact O-CA 3.45Å; G234-L237 WeakPolarHBondContact O-CB 3.44Å; G234-L237 PolarHBondContact O-N 2.56Å; G234-L237 VanDerWaalsContact O-N 3.1Å; G234-G238 PolarHBondContact O-N 2.95Å; G234-L239 WeakPolarHBondContact O-CB 3.27Å; G234-L239 WeakPolarHBondContact O-CD1 3.39Å; G234-L239 PolarHBondContact O-N 3.29Å
235	H	94.7	Very high	92.8	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-45.1	172	-75	-37.2	0	0	0	112.9	C106 A198 F200 H231 E232 I233 L237 G238 L239 H241 M249	C106-H235 PolarHBondContact SG-NE2 3.42Å; A198-H235 HydrophobicContact CB-CB 3.73Å; F200-H235 VanDerWaalsContact CD1-O 3.29Å; F200-H235 WeakPolarHBondContact CD1-O 3.5Å; H231-H235 AromaticContact CD2-CD2 3.87Å; H231-H235 AromaticContact CD2-NE2 3.85Å; H231-H235 AromaticContact NE2-CD2 3.77Å; H231-H235 AromaticContact NE2-NE2 3.25Å; H231-H235 PolarHBondContact NE2-NE2 2.92Å; H231-H235 PolarHBondContact O-N 3.08Å; E232-H235 WeakPolarHBondContact O-CB 3.39Å; E232-H235 PolarHBondContact O-N 3.01Å; E232-H235 IonicContact OE2-CD2 2.6Å; I233-H235 VanDerWaalsContact C-N 3.35Å; I233-H235 PolarHBondContact O-N 3.29Å; H235-L237 PolarHBondContact O-N 2.8Å; H235-G238 PolarHBondContact O-N 3.25Å; H235-L239 WeakPolarHBondContact CA-O 3.49Å; H235-L239 PolarHBondContact ND1-O 3.45Å; H235-H241 AromaticContact CE1-CD2 3.49Å; H235-H241 PolarHBondContact CE1-CD2 3.27Å; H235-H241 VanDerWaalsContact CE1-CD2 3.49Å; H235-H241 AromaticContact CE1-NE2 3.7Å; H235-H241 AromaticContact NE2-CD2 3.57Å; H235-H241 AromaticContact NE2-NE2 3.35Å; H235-H241 PolarHBondContact NE2-NE2 2.92Å; H235-M249 VanDerWaalsContact CE1-CE 3.43Å; H235-M249 WeakPolarHBondContact CE1-CE 3.44Å; H235-M249 WeakPolarHBondContact ND1-CE 3.26Å
236	S	94.7	Very high	92.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-27.1	174.8	-174.3	0	0	0	0	112.8	W123 I173 P201 G205 E232 I233 G234	W123-S236 PolarHBondContact NE1-O 2.84Å; I173-S236 WeakPolarHBondContact CD1-OG 3.36Å; I173-S236 WeakPolarHBondContact CG1-OG 3.29Å; P201-S236 WeakPolarHBondContact CD-O 3.37Å; P201-S236 VanDerWaalsContact CG-O 3.28Å; P201-S236 WeakPolarHBondContact CG-O 3.21Å; G205-S236 WeakPolarHBondContact CA-OG 3.35Å; G205-S236 WeakPolarHBondContact O-CB 3.47Å; G205-S236 PolarHBondContact O-OG 2.85Å; E232-S236 PolarHBondContact O-N 3.14Å; I233-S236 CarbonylContact O-C 3.44Å; I233-S236 WeakPolarHBondContact O-CA 3.29Å; I233-S236 WeakPolarHBondContact O-CB 3.45Å; I233-S236 PolarHBondContact O-N 3.16Å; I233-S236 VanDerWaalsContact O-N 3.14Å; G234-S236 PolarHBondContact O-N 2.73Å
237	L	94.7	Very high	92.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.9	175.3	-68.5	179.5	0	0	0	114.3	L128 W155 L161 F163 I233 G234 H235 L239 L271 Y275	L128-L237 HydrophobicContact CD1-CD2 3.79Å; W155-L237 HydrophobicContact CB-CD1 3.84Å; W155-L237 HydrophobicContact CD2-CD1 4.08Å; W155-L237 HydrophobicContact CE3-CD1 4.48Å; W155-L237 HydrophobicContact CG-CD1 3.79Å; L161-L237 HydrophobicContact CD1-CD1 4.01Å; L161-L237 HydrophobicContact CD1-CD2 3.76Å; L161-L237 HydrophobicContact CD1-CG 4.45Å; F163-L237 HydrophobicContact CE1-CD2 3.87Å; F163-L237 HydrophobicContact CZ-CD1 3.99Å; F163-L237 HydrophobicContact CZ-CD2 3.81Å; F163-L237 HydrophobicContact CZ-CG 4.42Å; I233-L237 HydrophobicContact CG2-CD1 4.01Å; I233-L237 HydrophobicContact CG2-CG 4.17Å; I233-L237 WeakPolarHBondContact O-CB 3.48Å; I233-L237 VanDerWaalsContact O-CG 3.25Å; I233-L237 WeakPolarHBondContact O-CG 3.22Å; I233-L237 PolarHBondContact O-N 2.79Å; G234-L237 CarbonylContact O-C 3.52Å; G234-L237 WeakPolarHBondContact O-CA 3.45Å; G234-L237 WeakPolarHBondContact O-CB 3.44Å; G234-L237 PolarHBondContact O-N 2.56Å; G234-L237 VanDerWaalsContact O-N 3.1Å; H235-L237 PolarHBondContact O-N 2.8Å; L237-L239 HydrophobicContact CB-CD1 3.89Å; L237-L271 HydrophobicContact CD1-CD1 4.27Å; L237-Y275 HydrophobicContact CB-CE2 4.17Å; L237-Y275 VanDerWaalsContact O-CE2 3.25Å; L237-Y275 WeakPolarHBondContact O-CE2 3.42Å; L237-Y275 VanDerWaalsContact O-CZ 3.3Å; L237-Y275 PolarHBondContact O-OH 3.01Å
238	G	90.6	Very high	93	Very high	1 Å²	1	18 Å²	18	1%	0.01	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.8	-4	-177.8	0	0	0	0	0	115	S120 S121 G234 H235	S120-G238 WeakPolarHBondContact CB-O 3.11Å; S120-G238 PolarHBondContact OG-O 3.06Å; S121-G238 WeakPolarHBondContact O-CA 3.41Å; G234-G238 PolarHBondContact O-N 2.95Å; H235-G238 PolarHBondContact O-N 3.25Å
239	L	93.6	Very high	93.1	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	10%	0.096	C	C	.	.			trans	-80.4	138.4	-177.3	-70.7	79.6	0	0	0	110.9	W155 F200 G234 H235 L237 M249 A270 L271 L274	W155-L239 HydrophobicContact CH2-CD2 3.6Å; W155-L239 HydrophobicContact CZ3-CD1 4.43Å; W155-L239 HydrophobicContact CZ3-CD2 3.47Å; W155-L239 VanDerWaalsContact CZ3-CD2 3.47Å; F200-L239 WeakPolarHBondContact CE1-O 3.29Å; G234-L239 WeakPolarHBondContact O-CB 3.27Å; G234-L239 WeakPolarHBondContact O-CD1 3.39Å; G234-L239 PolarHBondContact O-N 3.29Å; H235-L239 WeakPolarHBondContact CA-O 3.49Å; H235-L239 PolarHBondContact ND1-O 3.45Å; L237-L239 HydrophobicContact CB-CD1 3.89Å; L239-M249 HydrophobicContact CB-CE 4.06Å; L239-M249 HydrophobicContact CB-CG 4.21Å; L239-M249 HydrophobicContact CB-SD 4.39Å; L239-M249 HydrophobicContact CD2-CG 4.15Å; L239-A270 HydrophobicContact CD2-CB 3.94Å; L239-A270 HydrophobicContact CG-CB 4.26Å; L239-L271 HydrophobicContact CD1-CD1 4.02Å; L239-L271 HydrophobicContact CD2-CB 4.39Å; L239-L274 HydrophobicContact CD1-CD1 4.04Å; L239-L274 HydrophobicContact CG-CD1 4.38Å
240	K	89.6	Confident	93	Very high	40 Å²	40	18.2 Å²	18.2	17%	0.174	10%	0.097	C	C	.	.			trans	-94.2	176.7	173.3	-74.6	169.5	-176.7	176.6	0	110	Y112 E117 Q118 L119 F200 S242	Y112-K240 HydrophobicContact CD2-CD 3.85Å; Y112-K240 HydrophobicContact CE2-CB 4.19Å; Y112-K240 HydrophobicContact CE2-CD 3.6Å; Y112-K240 HydrophobicContact CE2-CG 3.79Å; E117-K240 PolarHBondContact O-NZ 3.19Å; Q118-K240 PolarHBondContact O-NZ 2.47Å; L119-K240 VanDerWaalsContact C-NZ 3.25Å; L119-K240 PolarHBondContact O-NZ 3.41Å; F200-K240 HydrophobicContact CE1-CG 4.01Å; F200-K240 HydrophobicContact CZ-CG 3.68Å; K240-S242 PolarHBondContact O-N 3.09Å
241	H	92.5	Very high	92.9	Very high	16 Å²	16	18.3 Å²	18.3	7%	0.074	10%	0.098	C	C	.	.			trans	-60.5	135.5	173.4	-70.5	157.3	0	0	0	111.7	C106 A108 D110 H231 H235 M249 P251	C106-H241 VanDerWaalsContact CB-NE2 3.29Å; C106-H241 WeakPolarHBondContact CB-NE2 3.45Å; C106-H241 PolarHBondContact SG-NE2 3.29Å; A108-H241 PolarHBondContact O-CE1 2.91Å; A108-H241 VanDerWaalsContact O-CE1 3.29Å; D110-H241 IonicContact OD1-CE1 3.95Å; D110-H241 PolarHBondContact OD1-CE1 3.03Å; D110-H241 IonicContact OD1-CG 3.07Å; D110-H241 IonicContact OD1-ND1 2.68Å; D110-H241 PolarHBondContact OD1-ND1 3.42Å; H231-H241 AromaticContact CE1-CD2 3.83Å; H231-H241 AromaticContact CE1-NE2 3.96Å; H231-H241 AromaticContact NE2-CD2 3.83Å; H231-H241 AromaticContact NE2-NE2 3.61Å; H235-H241 AromaticContact CE1-CD2 3.49Å; H235-H241 PolarHBondContact CE1-CD2 3.27Å; H235-H241 VanDerWaalsContact CE1-CD2 3.49Å; H235-H241 AromaticContact CE1-NE2 3.7Å; H235-H241 AromaticContact NE2-CD2 3.57Å; H235-H241 AromaticContact NE2-NE2 3.35Å; H235-H241 PolarHBondContact NE2-NE2 2.92Å; H241-M249 CarbonylContact C-O 3.55Å; H241-M249 WeakPolarHBondContact CA-O 3.25Å; H241-M249 PolarHBondContact CD2-O 2.98Å; H241-P251 HydrophobicContact CB-CG 3.93Å
242	S	91.3	Very high	92.6	Very high	7 Å²	7	18.7 Å²	18.7	5%	0.049	10%	0.099	C	C	.	.			trans	-78.6	140.1	164.5	172.5	0	0	0	0	109.5	K240 N244 A247 M249 P251 D266	K240-S242 PolarHBondContact O-N 3.09Å; S242-N244 PolarHBondContact O-N 2.94Å; S242-N244 WeakPolarHBondContact OG-CB 3.48Å; S242-N244 PolarHBondContact OG-N 2.79Å; S242-A247 VanDerWaalsContact CB-CB 3.44Å; S242-A247 VanDerWaalsContact OG-CB 3.25Å; S242-A247 WeakPolarHBondContact OG-CB 3.48Å; S242-M249 PolarHBondContact N-O 3.48Å; S242-P251 WeakPolarHBondContact O-CD 3.35Å; S242-D266 WeakPolarHBondContact CB-OD2 3.47Å; S242-D266 PolarHBondContact OG-OD2 2.79Å
243	M	87.6	Confident	91.7	Very high	91 Å²	91	20.7 Å²	20.7	45%	0.448	11%	0.107	S	C	.	.	S	Bend	trans	-79.3	-7.6	170.9	-59.5	-56.9	-175.6	0	0	112.5	V84 D110 I111	V84-M243 HydrophobicContact CB-SD 4.28Å; V84-M243 HydrophobicContact CG1-SD 3.99Å; V84-M243 HydrophobicContact CG2-CE 4.4Å; V84-M243 HydrophobicContact CG2-CG 4.47Å; V84-M243 HydrophobicContact CG2-SD 3.29Å; V84-M243 WeakPolarHBondContact CG2-SD 3.36Å; D110-M243 WeakPolarHBondContact O-CE 3.44Å; I111-M243 HydrophobicContact CG1-CE 3.72Å
244	N	88.6	Confident	90.4	Very high	52 Å²	52	23.5 Å²	23.5	28%	0.278	12%	0.12	S	C	.	.	S	Bend	trans	-87.6	117.7	176.7	-172.1	-32.2	0	0	0	109.6	S242 N246 A247 A250 H264	S242-N244 PolarHBondContact O-N 2.94Å; S242-N244 WeakPolarHBondContact OG-CB 3.48Å; S242-N244 PolarHBondContact OG-N 2.79Å; N244-N246 PolarHBondContact O-N 3.34Å; N244-N246 VanDerWaalsContact O-N 3.08Å; N244-N246 WeakPolarHBondContact OD1-CB 3.42Å; N244-N246 PolarHBondContact OD1-N 2.81Å; N244-N246 PolarHBondContact OD1-ND2 3.03Å; N244-A247 HydrophobicContact CB-CB 4.31Å; N244-A247 VanDerWaalsContact O-CB 3.3Å; N244-A247 WeakPolarHBondContact O-CB 3.38Å; N244-A247 PolarHBondContact O-N 3.09Å; N244-A250 WeakPolarHBondContact O-CB 3.24Å; N244-H264 PolarHBondContact ND2-CE1 3.23Å; N244-H264 PolarHBondContact ND2-NE2 3.08Å; N244-H264 VanDerWaalsContact ND2-NE2 3.18Å
245	S	89.1	Confident	88.9	Confident	38 Å²	38	28.5 Å²	28.5	27%	0.266	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.6	-177.4	55.1	0	0	0	0	115.2	S86 Q254	S86-S245 WeakPolarHBondContact OG-CB 3.03Å; S86-S245 PolarHBondContact OG-OG 2.86Å; S245-Q254 PolarHBondContact O-NE2 3.49Å
246	N	89	Confident	87.3	Confident	107 Å²	107	29.8 Å²	29.8	57%	0.572	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.3	174.6	-57.7	-59	0	0	0	113.1	N244 Q254	N244-N246 PolarHBondContact O-N 3.34Å; N244-N246 VanDerWaalsContact O-N 3.08Å; N244-N246 WeakPolarHBondContact OD1-CB 3.42Å; N244-N246 PolarHBondContact OD1-N 2.81Å; N244-N246 PolarHBondContact OD1-ND2 3.03Å; N246-Q254 PolarHBondContact O-NE2 3.13Å
247	A	93.2	Very high	85.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-75.3	148.1	175.9	0	0	0	0	0	111.7	S242 N244 M249 A250 Q254 H264 D267	S242-A247 VanDerWaalsContact CB-CB 3.44Å; S242-A247 VanDerWaalsContact OG-CB 3.25Å; S242-A247 WeakPolarHBondContact OG-CB 3.48Å; N244-A247 HydrophobicContact CB-CB 4.31Å; N244-A247 VanDerWaalsContact O-CB 3.3Å; N244-A247 WeakPolarHBondContact O-CB 3.38Å; N244-A247 PolarHBondContact O-N 3.09Å; A247-M249 PolarHBondContact O-N 2.83Å; A247-A250 WeakPolarHBondContact O-CB 3.46Å; A247-A250 PolarHBondContact O-N 2.91Å; A247-A250 VanDerWaalsContact O-N 3.09Å; A247-Q254 PolarHBondContact O-NE2 2.79Å; A247-H264 HydrophobicContact CB-CB 3.96Å; A247-D267 WeakPolarHBondContact CA-OD2 3.39Å; A247-D267 WeakPolarHBondContact CB-OD1 3.15Å
248	L	94.2	Very high	83.8	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.068	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-39.5	173.6	176.9	65.6	0	0	0	110	V154 W155 A230 H231 A250 I261 L263 D267	V154-L248 HydrophobicContact CG1-CD2 4.37Å; W155-L248 HydrophobicContact CH2-CD2 4.33Å; W155-L248 HydrophobicContact CZ2-CD2 3.72Å; A230-L248 HydrophobicContact CB-CD1 4.32Å; A230-L248 HydrophobicContact CB-CD2 3.79Å; H231-L248 PolarHBondContact ND1-O 2.95Å; L248-A250 PolarHBondContact O-N 3.32Å; L248-I261 HydrophobicContact CD1-CD1 4.36Å; L248-I261 HydrophobicContact CD1-CG2 4.02Å; L248-I261 HydrophobicContact CD2-CG2 4.05Å; L248-I261 HydrophobicContact CG-CG2 4.46Å; L248-L263 HydrophobicContact CB-CD2 4.02Å; L248-L263 HydrophobicContact CD2-CD2 3.53Å; L248-L263 HydrophobicContact CG-CD2 4.44Å; L248-D267 PolarHBondContact N-OD1 3.15Å; L248-D267 PolarHBondContact N-OD2 3.41Å
249	M	94.7	Very high	82.9	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.015	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	11.2	176.9	-63.3	-54.3	-60.2	0	0	113.6	W155 H231 H235 L239 H241 S242 A247 D267	W155-M249 HydrophobicContact CH2-CG 3.95Å; W155-M249 HydrophobicContact CH2-SD 3.97Å; W155-M249 HydrophobicContact CZ2-CG 4.48Å; W155-M249 HydrophobicContact CZ2-SD 3.92Å; H231-M249 VanDerWaalsContact O-SD 3.41Å; H235-M249 VanDerWaalsContact CE1-CE 3.43Å; H235-M249 WeakPolarHBondContact CE1-CE 3.44Å; H235-M249 WeakPolarHBondContact ND1-CE 3.26Å; L239-M249 HydrophobicContact CB-CE 4.06Å; L239-M249 HydrophobicContact CB-CG 4.21Å; L239-M249 HydrophobicContact CB-SD 4.39Å; L239-M249 HydrophobicContact CD2-CG 4.15Å; H241-M249 CarbonylContact C-O 3.55Å; H241-M249 WeakPolarHBondContact CA-O 3.25Å; H241-M249 PolarHBondContact CD2-O 2.98Å; S242-M249 PolarHBondContact N-O 3.48Å; A247-M249 PolarHBondContact O-N 2.83Å; M249-D267 VanDerWaalsContact CB-OD1 3.29Å; M249-D267 WeakPolarHBondContact CB-OD1 3.44Å; M249-D267 VanDerWaalsContact CG-OD1 3.31Å; M249-D267 WeakPolarHBondContact CG-OD1 3.41Å; M249-D267 PolarHBondContact N-OD1 2.79Å
250	A	93.3	Very high	82.3	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.033	28%	0.275	C	S	.	.	S	Bend	trans	-63.8	144.4	171.3	0	0	0	0	0	110.8	H231 N244 A247 L248 F252	H231-A250 PolarHBondContact CE1-O 2.78Å; N244-A250 WeakPolarHBondContact O-CB 3.24Å; A247-A250 WeakPolarHBondContact O-CB 3.46Å; A247-A250 PolarHBondContact O-N 2.91Å; A247-A250 VanDerWaalsContact O-N 3.09Å; L248-A250 PolarHBondContact O-N 3.32Å; A250-F252 PolarHBondContact O-N 3.29Å; A250-F252 VanDerWaalsContact O-N 3.14Å
251	P	92	Very high	82.3	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.013	27%	0.269	C	S	.	.	S	Bend	trans	-64.6	-26	-173.1	-17.1	24.1	0	0	0	114.9	V84 R105 C106 D110 H241 S242	V84-P251 HydrophobicContact CG1-CG 3.93Å; R105-P251 WeakPolarHBondContact CA-O 3.38Å; R105-P251 WeakPolarHBondContact CB-O 3.33Å; C106-P251 PolarHBondContact N-O 3.43Å; D110-P251 WeakPolarHBondContact OD1-CB 3.44Å; D110-P251 WeakPolarHBondContact OD1-CG 3.3Å; H241-P251 HydrophobicContact CB-CG 3.93Å; S242-P251 WeakPolarHBondContact O-CD 3.35Å
252	F	89	Confident	82.1	Confident	10 Å²	10	58.3 Å²	58.3	4%	0.044	30%	0.301	C	S	.	.	S	Bend	trans	-95.3	120.4	176.6	-63.5	-86.9	0	0	0	109.1	F81 A85 R100 Q103 R105 A250 Q254	F81-F252 HydrophobicContact CE2-CE2 4.36Å; F81-F252 AromaticContact CE2-CZ 3.9Å; F81-F252 HydrophobicContact CE2-CZ 3.9Å; F81-F252 HydrophobicContact CZ-CZ 4.15Å; A85-F252 HydrophobicContact CB-CE2 3.94Å; A85-F252 HydrophobicContact CB-CZ 4.34Å; R100-F252 HydrophobicContact CG-CE1 4.12Å; R100-F252 HydrophobicContact CG-CE2 4.49Å; R100-F252 HydrophobicContact CG-CZ 3.89Å; R100-F252 VanDerWaalsContact CZ-CG 3.47Å; R100-F252 WeakPolarHBondContact O-CE1 3.37Å; Q103-F252 HydrophobicContact CB-CD1 4.41Å; Q103-F252 HydrophobicContact CB-CE1 4.48Å; R105-F252 HydrophobicContact CB-CD1 4.02Å; R105-F252 HydrophobicContact CB-CE1 4.33Å; A250-F252 PolarHBondContact O-N 3.29Å; A250-F252 VanDerWaalsContact O-N 3.14Å; F252-Q254 PolarHBondContact O-N 3.29Å
253	Y	78	Confident	82.2	Confident	42 Å²	42	59 Å²	59	17%	0.165	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-58.7	127.9	179.4	-55.6	-70.9	0	0	0	111.3	R105 C106 L195 V228 H231 E232	R105-Y253 VanDerWaalsContact C-CE2 3.41Å; C106-Y253 WeakPolarHBondContact CA-OH 3.48Å; C106-Y253 HydrophobicContact CB-CE1 4.49Å; L195-Y253 HydrophobicContact CB-CE2 3.85Å; L195-Y253 HydrophobicContact CD1-CD2 3.37Å; L195-Y253 HydrophobicContact CD1-CE2 3.48Å; L195-Y253 VanDerWaalsContact CD1-CE2 3.48Å; L195-Y253 HydrophobicContact CD1-CG 4.3Å; L195-Y253 HydrophobicContact CG-CD2 4.19Å; L195-Y253 HydrophobicContact CG-CE2 3.8Å; V228-Y253 HydrophobicContact CB-CE1 4.4Å; V228-Y253 HydrophobicContact CG1-CE1 3.92Å; V228-Y253 HydrophobicContact CG2-CD1 3.96Å; V228-Y253 HydrophobicContact CG2-CE1 4.15Å; V228-Y253 HydrophobicContact CG2-CG 4.19Å; H231-Y253 HydrophobicContact CB-CE1 4.31Å; H231-Y253 AromaticContact CD2-CE1 3.89Å; E232-Y253 PolarHBondContact OE1-OH 3.5Å; E232-Y253 VanDerWaalsContact OE1-OH 3.06Å
254	Q	72	Confident	82.6	Confident	60 Å²	60	57.1 Å²	57.1	28%	0.28	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-77	131.2	171.8	-61.7	-177.9	36.2	0	0	108.7	S245 N246 A247 F252 H256	S245-Q254 PolarHBondContact O-NE2 3.49Å; N246-Q254 PolarHBondContact O-NE2 3.13Å; A247-Q254 PolarHBondContact O-NE2 2.79Å; F252-Q254 PolarHBondContact O-N 3.29Å; Q254-H256 PolarHBondContact O-CD2 3.13Å; Q254-H256 PolarHBondContact O-N 3.15Å; Q254-H256 VanDerWaalsContact O-N 3.08Å; Q254-H256 PolarHBondContact OE1-CE1 2.93Å
255	S	63.7	Low	82.9	Confident	106 Å²	106	58 Å²	58	74%	0.741	30%	0.304	S	S	*	.			trans	-75.6	98.3	167.9	-175	0	0	0	0	107.7	L257	S255-L257 PolarHBondContact O-N 3.24Å
256	H	61.4	Low	83.1	Confident	30 Å²	30	59.4 Å²	59.4	14%	0.139	31%	0.309	C	S	.	.			trans	-77.9	104.1	174.2	-65.6	-75.5	0	0	0	108.5	Q254 S258	Q254-H256 PolarHBondContact O-CD2 3.13Å; Q254-H256 PolarHBondContact O-N 3.15Å; Q254-H256 VanDerWaalsContact O-N 3.08Å; Q254-H256 PolarHBondContact OE1-CE1 2.93Å; H256-S258 PolarHBondContact O-N 3.46Å
257	L	55.7	Low	83.4	Confident	156 Å²	156	54.4 Å²	54.4	82%	0.817	28%	0.282	S	S	*	.			trans	-72.3	-13.2	167.1	-66.8	169.9	0	0	0	111.6	S255	S255-L257 PolarHBondContact O-N 3.24Å
258	S	60.5	Low	83.5	Confident	61 Å²	61	55.4 Å²	55.4	43%	0.427	29%	0.288	S	S	.	.	S	Bend	trans	-89.5	143	178.7	57.2	0	0	0	0	111.9	H256 E260	H256-S258 PolarHBondContact O-N 3.46Å; S258-E260 PolarHBondContact O-N 3.33Å; S258-E260 VanDerWaalsContact O-N 3.12Å; S258-E260 PolarHBondContact OG-O 2.91Å
259	N	71.3	Confident	83.4	Confident	115 Å²	115	59.5 Å²	59.5	62%	0.615	31%	0.31	S	S	*	.	S	Bend	trans	-69.7	-1.7	173.9	-73.7	-9.2	0	0	0	114.4	P219	P219-N259 WeakPolarHBondContact CB-OD1 3.35Å; P219-N259 WeakPolarHBondContact CG-OD1 3.15Å
260	E	81.5	Confident	83.2	Confident	120 Å²	120	61.2 Å²	61.2	56%	0.561	33%	0.325	S	S	*	.			trans	-132.1	124.4	-176.4	-65.6	179.6	178.9	0	0	109	S258 R262	S258-E260 PolarHBondContact O-N 3.33Å; S258-E260 VanDerWaalsContact O-N 3.12Å; S258-E260 PolarHBondContact OG-O 2.91Å; E260-R262 IonicContact OE2-NH2 3.6Å; E260-R262 PolarHBondContact OE2-NH2 3.4Å
261	I	89.1	Confident	83.1	Confident	9 Å²	9	61 Å²	61	5%	0.046	32%	0.324	C	S	.	.			trans	-86.4	129.5	167.7	-66.9	166.9	0	0	0	107.8	V154 Y226 A227 A230 L248	V154-I261 HydrophobicContact CG1-CB 4.46Å; V154-I261 HydrophobicContact CG1-CG2 4Å; V154-I261 HydrophobicContact CG2-CB 4.11Å; V154-I261 HydrophobicContact CG2-CG2 4.48Å; Y226-I261 HydrophobicContact CD1-CD1 3.85Å; Y226-I261 HydrophobicContact CD1-CG1 4.2Å; Y226-I261 HydrophobicContact CD2-CD1 4.25Å; Y226-I261 HydrophobicContact CE1-CB 4.28Å; Y226-I261 HydrophobicContact CE1-CD1 3.51Å; Y226-I261 HydrophobicContact CE1-CG1 3.53Å; Y226-I261 HydrophobicContact CE2-CD1 3.89Å; Y226-I261 HydrophobicContact CG-CD1 4.22Å; Y226-I261 PolarHBondContact OH-N 2.92Å; A227-I261 HydrophobicContact CB-CD1 4.42Å; A230-I261 HydrophobicContact CB-CD1 3.68Å; L248-I261 HydrophobicContact CD1-CD1 4.36Å; L248-I261 HydrophobicContact CD1-CG2 4.02Å; L248-I261 HydrophobicContact CD2-CG2 4.05Å; L248-I261 HydrophobicContact CG-CG2 4.46Å
262	R	89.6	Confident	83.1	Confident	199 Å²	199	63 Å²	63	75%	0.751	33%	0.333	S	S	*	.			trans	-110.1	122.9	169.6	-65.8	-171.6	178.5	108.5	13.1	107.9	E260	E260-R262 IonicContact OE2-NH2 3.6Å; E260-R262 PolarHBondContact OE2-NH2 3.4Å
263	L	93.7	Very high	82.9	Confident	20 Å²	20	69.3 Å²	69.3	11%	0.105	36%	0.357	C	S	.	.			trans	-63.5	135.8	175.9	-66.8	-175.2	0	0	0	110	V154 W155 H158 L248 D267 V268	V154-L263 HydrophobicContact CG1-CD1 4.2Å; V154-L263 HydrophobicContact CG1-CD2 3.55Å; V154-L263 HydrophobicContact CG1-CG 3.71Å; W155-L263 HydrophobicContact CE3-CD1 3.84Å; W155-L263 HydrophobicContact CH2-CD2 4.08Å; W155-L263 HydrophobicContact CZ2-CD2 4.39Å; W155-L263 HydrophobicContact CZ3-CD1 3.9Å; W155-L263 HydrophobicContact CZ3-CD2 4.16Å; H158-L263 HydrophobicContact CB-CD1 4.27Å; L248-L263 HydrophobicContact CB-CD2 4.02Å; L248-L263 HydrophobicContact CD2-CD2 3.53Å; L248-L263 HydrophobicContact CG-CD2 4.44Å; L263-D267 HydrophobicContact CB-CB 4.13Å; L263-D267 HydrophobicContact CD2-CB 4.08Å; L263-V268 HydrophobicContact CB-CG2 3.75Å; L263-V268 HydrophobicContact CD1-CG2 4.32Å
264	H	94.6	Very high	83.3	Confident	52 Å²	52	68 Å²	68	24%	0.241	35%	0.353	C	S	.	.			trans	-72.5	157.7	170.1	-176.7	-90.7	0	0	0	109.1	N244 A247 D266 D267 V268	N244-H264 PolarHBondContact ND2-CE1 3.23Å; N244-H264 PolarHBondContact ND2-NE2 3.08Å; N244-H264 VanDerWaalsContact ND2-NE2 3.18Å; A247-H264 HydrophobicContact CB-CB 3.96Å; H264-D266 VanDerWaalsContact ND1-CB 3.33Å; H264-D266 WeakPolarHBondContact ND1-CB 3.4Å; H264-D266 PolarHBondContact ND1-N 2.83Å; H264-D266 PolarHBondContact O-N 2.9Å; H264-D267 WeakPolarHBondContact CB-OD2 3.41Å; H264-D267 PolarHBondContact N-OD2 3.02Å; H264-D267 WeakPolarHBondContact O-CB 3.49Å; H264-D267 PolarHBondContact O-N 3.06Å; H264-V268 PolarHBondContact O-N 3.3Å; H264-V268 VanDerWaalsContact O-N 3.13Å
265	S	95.1	Very high	84	Confident	71 Å²	71	65.8 Å²	65.8	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-55.4	-38.7	179.5	61.3	0	0	0	0	112.2	D267 V268 D269	S265-D267 VanDerWaalsContact C-N 3.31Å; S265-D267 PolarHBondContact O-N 3.47Å; S265-V268 PolarHBondContact O-N 2.93Å; S265-V268 VanDerWaalsContact O-N 3.1Å; S265-D269 WeakPolarHBondContact O-CB 3.06Å; S265-D269 PolarHBondContact O-N 3.18Å
266	D	93.4	Very high	84.9	Confident	68 Å²	68	61 Å²	61	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-36.8	175.6	-157.4	60.2	0	0	0	113.4	S242 H264 A270	S242-D266 WeakPolarHBondContact CB-OD2 3.47Å; S242-D266 PolarHBondContact OG-OD2 2.79Å; H264-D266 VanDerWaalsContact ND1-CB 3.33Å; H264-D266 WeakPolarHBondContact ND1-CB 3.4Å; H264-D266 PolarHBondContact ND1-N 2.83Å; H264-D266 PolarHBondContact O-N 2.9Å; D266-A270 WeakPolarHBondContact O-CB 3.26Å; D266-A270 PolarHBondContact O-N 3.39Å
267	D	96.1	Very high	85.9	Confident	1 Å²	1	61 Å²	61	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-69.6	-41.4	174.2	-56.5	-59.4	0	0	0	110.9	W155 A247 L248 M249 L263 H264 S265 L271	W155-D267 HydrophobicContact CH2-CB 4.45Å; A247-D267 WeakPolarHBondContact CA-OD2 3.39Å; A247-D267 WeakPolarHBondContact CB-OD1 3.15Å; L248-D267 PolarHBondContact N-OD1 3.15Å; L248-D267 PolarHBondContact N-OD2 3.41Å; M249-D267 VanDerWaalsContact CB-OD1 3.29Å; M249-D267 WeakPolarHBondContact CB-OD1 3.44Å; M249-D267 VanDerWaalsContact CG-OD1 3.31Å; M249-D267 WeakPolarHBondContact CG-OD1 3.41Å; M249-D267 PolarHBondContact N-OD1 2.79Å; L263-D267 HydrophobicContact CB-CB 4.13Å; L263-D267 HydrophobicContact CD2-CB 4.08Å; H264-D267 WeakPolarHBondContact CB-OD2 3.41Å; H264-D267 PolarHBondContact N-OD2 3.02Å; H264-D267 WeakPolarHBondContact O-CB 3.49Å; H264-D267 PolarHBondContact O-N 3.06Å; S265-D267 VanDerWaalsContact C-N 3.31Å; S265-D267 PolarHBondContact O-N 3.47Å; D267-L271 WeakPolarHBondContact O-CB 3.41Å; D267-L271 PolarHBondContact O-N 2.97Å
268	V	95.6	Very high	86.9	Confident	22 Å²	22	56.6 Å²	56.6	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-45	-179.4	177	0	0	0	0	111.1	L263 H264 S265 A270 L271 H272	L263-V268 HydrophobicContact CB-CG2 3.75Å; L263-V268 HydrophobicContact CD1-CG2 4.32Å; H264-V268 PolarHBondContact O-N 3.3Å; H264-V268 VanDerWaalsContact O-N 3.13Å; S265-V268 PolarHBondContact O-N 2.93Å; S265-V268 VanDerWaalsContact O-N 3.1Å; V268-A270 VanDerWaalsContact C-N 3.34Å; V268-A270 PolarHBondContact O-N 3.29Å; V268-L271 WeakPolarHBondContact O-CB 3.34Å; V268-L271 PolarHBondContact O-N 3Å; V268-H272 VanDerWaalsContact CG1-CE1 3.42Å; V268-H272 WeakPolarHBondContact CG1-CE1 3.37Å; V268-H272 WeakPolarHBondContact O-CB 3.45Å; V268-H272 VanDerWaalsContact O-CG 3.31Å; V268-H272 PolarHBondContact O-N 2.96Å
269	D	90.2	Very high	87.4	Confident	98 Å²	98	58.1 Å²	58.1	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-42.4	179.1	-67	-21.5	0	0	0	110.5	S265 H272 Y273	S265-D269 WeakPolarHBondContact O-CB 3.06Å; S265-D269 PolarHBondContact O-N 3.18Å; D269-H272 PolarHBondContact O-N 3.3Å; D269-Y273 WeakPolarHBondContact O-CB 3.3Å; D269-Y273 PolarHBondContact O-N 2.92Å
270	A	90.8	Very high	86.9	Confident	40 Å²	40	57.5 Å²	57.5	33%	0.331	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-39.7	174.8	0	0	0	0	0	112.6	L239 D266 V268 L274	L239-A270 HydrophobicContact CD2-CB 3.94Å; L239-A270 HydrophobicContact CG-CB 4.26Å; D266-A270 WeakPolarHBondContact O-CB 3.26Å; D266-A270 PolarHBondContact O-N 3.39Å; V268-A270 VanDerWaalsContact C-N 3.34Å; V268-A270 PolarHBondContact O-N 3.29Å; A270-L274 WeakPolarHBondContact O-CG 3.32Å; A270-L274 PolarHBondContact O-N 2.65Å
271	L	92.8	Very high	85.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-45.4	174.9	-174.8	71.3	0	0	0	111.4	W155 H158 L237 L239 D267 V268 Y273 L274 Y275	W155-L271 HydrophobicContact CE3-CD1 3.86Å; W155-L271 HydrophobicContact CE3-CD2 3.92Å; W155-L271 HydrophobicContact CE3-CG 4.35Å; W155-L271 HydrophobicContact CZ3-CB 4.48Å; W155-L271 HydrophobicContact CZ3-CD1 4.35Å; H158-L271 HydrophobicContact CB-CD2 3.94Å; L237-L271 HydrophobicContact CD1-CD1 4.27Å; L239-L271 HydrophobicContact CD1-CD1 4.02Å; L239-L271 HydrophobicContact CD2-CB 4.39Å; D267-L271 WeakPolarHBondContact O-CB 3.41Å; D267-L271 PolarHBondContact O-N 2.97Å; V268-L271 WeakPolarHBondContact O-CB 3.34Å; V268-L271 PolarHBondContact O-N 3Å; L271-Y273 VanDerWaalsContact C-N 3.32Å; L271-Y273 PolarHBondContact O-N 2.93Å; L271-L274 PolarHBondContact O-N 3.29Å; L271-Y275 HydrophobicContact CD1-CD2 3.76Å; L271-Y275 HydrophobicContact CD1-CE2 4.17Å; L271-Y275 HydrophobicContact CG-CD2 4.45Å; L271-Y275 PolarHBondContact O-N 3.44Å
272	H	91	Very high	83.3	Confident	44 Å²	44	63.8 Å²	63.8	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-66.6	-33.8	179.1	-72	179.5	0	0	0	112.4	H158 V268 D269 L274 G276	H158-H272 PolarHBondContact O-CD2 3.41Å; H158-H272 PolarHBondContact O-NE2 2.9Å; V268-H272 VanDerWaalsContact CG1-CE1 3.42Å; V268-H272 WeakPolarHBondContact CG1-CE1 3.37Å; V268-H272 WeakPolarHBondContact O-CB 3.45Å; V268-H272 VanDerWaalsContact O-CG 3.31Å; V268-H272 PolarHBondContact O-N 2.96Å; D269-H272 PolarHBondContact O-N 3.3Å; H272-L274 PolarHBondContact O-N 2.97Å; H272-G276 PolarHBondContact CD2-O 3.35Å; H272-G276 WeakPolarHBondContact O-CA 3.16Å; H272-G276 PolarHBondContact O-N 3.08Å
273	Y	85.9	Confident	81.1	Confident	142 Å²	142	59.1 Å²	59.1	56%	0.557	33%	0.33	S	S	*	.	H	α-helix	trans	-58.9	-36.3	172.9	179	-95.9	0	0	0	112.4	D269 L271	D269-Y273 WeakPolarHBondContact O-CB 3.3Å; D269-Y273 PolarHBondContact O-N 2.92Å; L271-Y273 VanDerWaalsContact C-N 3.32Å; L271-Y273 PolarHBondContact O-N 2.93Å
274	L	85.1	Confident	78.3	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-88.1	-33.3	-177.7	-64	175.9	0	0	0	113.9	L239 A270 L271 H272	L239-L274 HydrophobicContact CD1-CD1 4.04Å; L239-L274 HydrophobicContact CG-CD1 4.38Å; A270-L274 WeakPolarHBondContact O-CG 3.32Å; A270-L274 PolarHBondContact O-N 2.65Å; L271-L274 PolarHBondContact O-N 3.29Å; H272-L274 PolarHBondContact O-N 2.97Å
275	Y	88	Confident	75.8	Confident	15 Å²	15	65.1 Å²	65.1	6%	0.059	36%	0.355	C	S	.	.	H	α-helix	trans	-126.5	-1.2	-168.2	-62.6	-73.2	0	0	0	114.9	W123 L161 L237 L271	W123-Y275 HydrophobicContact CB-CE1 4.3Å; W123-Y275 PolarHBondContact N-OH 3.42Å; W123-Y275 VanDerWaalsContact N-OH 3.07Å; L161-Y275 HydrophobicContact CD1-CD1 4.12Å; L161-Y275 HydrophobicContact CD1-CD2 3.92Å; L161-Y275 HydrophobicContact CD1-CE1 4.13Å; L161-Y275 HydrophobicContact CD1-CE2 3.96Å; L161-Y275 HydrophobicContact CD1-CG 4Å; L161-Y275 HydrophobicContact CD2-CD1 3.65Å; L161-Y275 HydrophobicContact CD2-CE1 3.87Å; L161-Y275 HydrophobicContact CD2-CG 4.18Å; L161-Y275 HydrophobicContact CG-CD1 4.17Å; L161-Y275 HydrophobicContact CG-CG 4.2Å; L237-Y275 HydrophobicContact CB-CE2 4.17Å; L237-Y275 VanDerWaalsContact O-CE2 3.25Å; L237-Y275 WeakPolarHBondContact O-CE2 3.42Å; L237-Y275 VanDerWaalsContact O-CZ 3.3Å; L237-Y275 PolarHBondContact O-OH 3.01Å; L271-Y275 HydrophobicContact CD1-CD2 3.76Å; L271-Y275 HydrophobicContact CD1-CE2 4.17Å; L271-Y275 HydrophobicContact CG-CD2 4.45Å; L271-Y275 PolarHBondContact O-N 3.44Å
276	G	82.7	Confident	72.9	Confident	5 Å²	5	64.9 Å²	64.9	5%	0.052	35%	0.353	C	S	.	.			trans	76.5	171.9	-170.6	0	0	0	0	0	113.5	H272	H272-G276 PolarHBondContact CD2-O 3.35Å; H272-G276 WeakPolarHBondContact O-CA 3.16Å; H272-G276 PolarHBondContact O-N 3.08Å
277	S	82.1	Confident	70.1	Confident	30 Å²	30	67.4 Å²	67.4	21%	0.21	37%	0.367	C	S	.	.			trans	-98.7	143.5	176.8	174	0	0	0	0	110.3	A279 D280	S277-A279 PolarHBondContact O-N 2.98Å; S277-A279 PolarHBondContact OG-N 2.85Å; S277-D280 CarbonylContact O-C 3.49Å; S277-D280 PolarHBondContact O-N 3.3Å
278	P	75	Confident	66.9	Low	63 Å²	63	75.3 Å²	75.3	41%	0.409	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.3	171.5	-24	34	0	0	0	114.5	L160	L160-P278 HydrophobicContact CD2-CB 4.25Å
279	A	71.7	Confident	63.7	Low	94 Å²	94	80.8 Å²	80.8	78%	0.777	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-20	176.2	0	0	0	0	0	113.3	S277	S277-A279 PolarHBondContact O-N 2.98Å; S277-A279 PolarHBondContact OG-N 2.85Å
280	D	60.5	Low	60.9	Low	102 Å²	102	81 Å²	81	55%	0.545	44%	0.439	S	S	.	.			trans	-118.5	103.6	178.2	-102.5	-29	0	0	0	108.5	S277 T282	S277-D280 CarbonylContact O-C 3.49Å; S277-D280 PolarHBondContact O-N 3.3Å; D280-T282 PolarHBondContact O-N 3.22Å
281	E	51.2	Low	58.1	Low	183 Å²	183	86.2 Å²	86.2	86%	0.855	46%	0.461	S	S	*	.			trans	-62.1	-4.7	175.4	-76.1	-174.6	166.5	0	0	113.5	I283	E281-I283 PolarHBondContact O-N 2.75Å
282	T	45.3	Very low	55.2	Low	77 Å²	77	94.8 Å²	94.8	47%	0.472	50%	0.502	S	S	.	.	S	Bend	trans	-75	101.5	170.8	48.8	0	0	0	0	110.8	D280 W284	D280-T282 PolarHBondContact O-N 3.22Å; T282-W284 PolarHBondContact O-N 2.79Å
283	I	43.3	Very low	52.4	Low	102 Å²	102	95.6 Å²	95.6	52%	0.523	52%	0.522	S	S	.	.			trans	-60.6	103.7	167.1	-58.6	170.9	0	0	0	108.2	E281	E281-I283 PolarHBondContact O-N 2.75Å
284	W	34.1	Very low	49.8	Very low	155 Å²	155	95 Å²	95	59%	0.587	54%	0.538	S	S	*	.	S	Bend	trans	-86.2	147.2	164.5	-85.9	66.7	0	0	0	109.5	T282	T282-W284 PolarHBondContact O-N 2.79Å
285	P	41.4	Very low	47.1	Very low	43 Å²	43	96.7 Å²	96.7	28%	0.279	56%	0.559	S	S	.	*	S	Bend	cis	-84.6	120.9	-3.9	25	-15.9	0	0	0	110	Y122 N287	Y122-P285 HydrophobicContact CE1-CG 4.22Å; P285-N287 PolarHBondContact O-N 3.13Å
286	S	35.3	Very low	44.1	Very low	66 Å²	66	105.6 Å²	105.6	46%	0.462	59%	0.594	S	S	.	*			trans	-69	99.6	171.8	54.3	0	0	0	0	108.9	K288	S286-K288 PolarHBondContact O-N 3.18Å
287	N	33.6	Very low	41.8	Very low	121 Å²	121	115.4 Å²	115.4	65%	0.647	64%	0.636	S	S	*	*			trans	-66.6	24.4	150.7	-89.9	-5.7	0	0	0	111.7	P285 V289	P285-N287 PolarHBondContact O-N 3.13Å; N287-V289 VanDerWaalsContact C-N 3.31Å; N287-V289 PolarHBondContact O-N 2.98Å
288	K	28.6	Very low	39.4	Very low	166 Å²	166	119.9 Å²	119.9	72%	0.722	66%	0.657	S	S	*	*			trans	-78.6	96.5	155.2	-67.2	-170.5	178.4	-179.8	0	104.9	S286 T290	S286-K288 PolarHBondContact O-N 3.18Å; K288-T290 PolarHBondContact O-N 2.97Å
289	V	30.2	Very low	37.2	Very low	137 Å²	137	125.9 Å²	125.9	83%	0.83	68%	0.68	S	S	*	*			trans	-44.7	102.3	145.2	176.9	0	0	0	0	104.7	N287 D291	N287-V289 VanDerWaalsContact C-N 3.31Å; N287-V289 PolarHBondContact O-N 2.98Å; V289-D291 PolarHBondContact O-N 3.43Å
290	T	30.4	Very low	35.2	Very low	102 Å²	102	130.2 Å²	130.2	63%	0.626	68%	0.684	S	S	*	*			trans	-62.1	111	169.8	40.2	0	0	0	0	104.2	K288 E292	K288-T290 PolarHBondContact O-N 2.97Å; T290-E292 PolarHBondContact O-N 3.08Å
291	D	33.1	Very low	34	Very low	151 Å²	151	130.9 Å²	130.9	81%	0.807	69%	0.694	S	S	*	*			trans	-67.6	53.8	165.4	-169.5	21.3	0	0	0	109	V289	V289-D291 PolarHBondContact O-N 3.43Å
292	E	31.6	Very low	33.3	Very low	180 Å²	180	129 Å²	129	84%	0.841	69%	0.69	S	S	*	*			trans	-118.4	67.8	173.1	-69.2	-158.7	171	0	0	106.7	T290	T290-E292 PolarHBondContact O-N 3.08Å
293	G	30.6	Very low	33.2	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	70%	0.702	S	S	*	*			trans	-176.2	47.5	-179.6	0	0	0	0	0	110.7	G295	G293-G295 PolarHBondContact O-N 3.01Å
294	S	32.2	Very low	33.1	Very low	128 Å²	128	132.2 Å²	132.2	90%	0.895	71%	0.712	S	S	*	*			trans	-66.5	69.5	163.8	54.6	0	0	0	0	109.6
295	G	27.4	Very low	33.4	Very low	50 Å²	50	131.5 Å²	131.5	52%	0.515	72%	0.719	S	S	.	*			trans	-128.3	91.4	179.1	0	0	0	0	0	109.3	G293	G293-G295 PolarHBondContact O-N 3.01Å
296	Y	26.8	Very low	34.2	Very low	202 Å²	202	136 Å²	136	79%	0.792	74%	0.741	S	S	*	*			trans	48	77	149.4	-94.9	-97.3	0	0	0	117.5
297	F	33	Very low	35.5	Very low	211 Å²	211	137.2 Å²	137.2	93%	0.925	74%	0.738	S	S	*	*			trans	-117.7	102.3	143.8	-80.5	-77.6	0	0	0	109.8	Q299	F297-Q299 PolarHBondContact O-N 3.48Å
298	N	31.7	Very low	37.9	Very low	123 Å²	123	133.5 Å²	133.5	66%	0.658	72%	0.72	S	S	*	*			trans	-54.2	126.6	170.5	-75.4	-53.8	0	0	0	110.5	Q300	N298-Q300 PolarHBondContact O-N 2.97Å
299	Q	29.1	Very low	40.6	Very low	190 Å²	190	128.8 Å²	128.8	89%	0.888	70%	0.702	S	S	*	*			trans	32.5	79.3	143.1	-59.3	-177.9	-4.8	0	0	115.7	F297	F297-Q299 PolarHBondContact O-N 3.48Å
300	Q	30.4	Very low	43.5	Very low	185 Å²	185	122.4 Å²	122.4	86%	0.864	66%	0.664	S	S	*	*			trans	-96.6	132.5	149	-86	-175.4	-22.9	0	0	109.1	N298 N302	N298-Q300 PolarHBondContact O-N 2.97Å; Q300-N302 PolarHBondContact O-N 2.88Å
301	P	33.9	Very low	46.2	Very low	116 Å²	116	119.7 Å²	119.7	75%	0.753	65%	0.648	S	S	*	*			trans	-79.7	122.3	-164.9	11.1	3.1	0	0	0	111.2	S303	P301-S303 PolarHBondContact O-N 2.73Å
302	N	37	Very low	48.9	Very low	143 Å²	143	120.7 Å²	120.7	77%	0.765	65%	0.645	S	S	*	*	S	Bend	trans	39.9	14.4	152.1	-87.9	-3.3	0	0	0	121.2	Q300 L304	Q300-N302 PolarHBondContact O-N 2.88Å; N302-L304 VanDerWaalsContact C-N 3.29Å; N302-L304 PolarHBondContact O-N 3.29Å
303	S	43.5	Very low	51.7	Low	104 Å²	104	116.5 Å²	116.5	73%	0.727	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-80.3	-8.2	177.7	82.9	0	0	0	0	113.8	P301	P301-S303 PolarHBondContact O-N 2.73Å
304	L	40.7	Very low	54.7	Low	142 Å²	142	114 Å²	114	74%	0.743	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-79.8	-18.9	-178.2	-79	162.3	0	0	0	114.2	N302 N306	N302-L304 VanDerWaalsContact C-N 3.29Å; N302-L304 PolarHBondContact O-N 3.29Å; L304-N306 VanDerWaalsContact C-N 3.25Å; L304-N306 PolarHBondContact O-N 2.81Å
305	L	41.1	Very low	57.7	Low	141 Å²	141	109.7 Å²	109.7	74%	0.738	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-76	-2.1	-172.3	-86.3	164.5	0	0	0	115.5
306	N	57.2	Low	61.1	Low	136 Å²	136	107.4 Å²	107.4	73%	0.727	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-131.3	23	179.3	-85.8	-25.7	0	0	0	113.5	L304 V308 W334	L304-N306 VanDerWaalsContact C-N 3.25Å; L304-N306 PolarHBondContact O-N 2.81Å; N306-V308 PolarHBondContact O-N 3.31Å; N306-W334 WeakPolarHBondContact O-CZ2 3.29Å
307	K	63.7	Low	64.5	Low	93 Å²	93	100.2 Å²	100.2	40%	0.404	52%	0.521	S	S	.	.			trans	-69.5	123.3	174.5	-166.2	167.6	172.7	177.6	0	108.4	Y347 P348	K307-Y347 WeakPolarHBondContact CE-O 3.5Å; K307-Y347 PolarHBondContact NZ-O 3.15Å; K307-P348 HydrophobicContact CD-CG 4.29Å; K307-P348 VanDerWaalsContact CE-CG 3.48Å; K307-P348 HydrophobicContact CG-CG 3.78Å
308	V	82.8	Confident	67.6	Low	43 Å²	43	90.2 Å²	90.2	26%	0.261	48%	0.477	S	S	.	.			trans	-60.3	138.2	177	62.8	0	0	0	0	109.6	N306 Q331 W334 W336 P348	N306-V308 PolarHBondContact O-N 3.31Å; V308-Q331 VanDerWaalsContact CG2-OE1 3.29Å; V308-W334 HydrophobicContact CB-CG 4.2Å; V308-W334 HydrophobicContact CG1-CB 3.63Å; V308-W334 HydrophobicContact CG1-CD2 3.99Å; V308-W334 HydrophobicContact CG1-CG 3.35Å; V308-W336 HydrophobicContact CG1-CH2 3.44Å; V308-W336 VanDerWaalsContact CG1-CH2 3.44Å; V308-W336 HydrophobicContact CG1-CZ2 3.58Å; V308-P348 HydrophobicContact CG1-CB 4.43Å; V308-P348 HydrophobicContact CG1-CG 4.09Å
309	D	86.9	Confident	70.7	Confident	66 Å²	66	84.3 Å²	84.3	35%	0.353	45%	0.446	S	S	.	.			trans	-105.8	97.2	179.1	-176.2	-8.4	0	0	0	108.7	C311 K312	D309-C311 PolarHBondContact O-N 3.47Å; D309-C311 WeakPolarHBondContact OD1-CB 3.45Å; D309-C311 PolarHBondContact OD1-N 3.09Å; D309-C311 VanDerWaalsContact OD1-N 3.12Å; D309-K312 HydrophobicContact CB-CB 4.38Å; D309-K312 HydrophobicContact CB-CD 4.04Å; D309-K312 HydrophobicContact CB-CG 4.27Å; D309-K312 PolarHBondContact O-N 2.92Å; D309-K312 VanDerWaalsContact O-N 3.12Å; D309-K312 WeakPolarHBondContact OD2-CD 3.27Å; D309-K312 WeakPolarHBondContact OD2-CE 3.33Å; D309-K312 WeakPolarHBondContact OD2-CG 3.36Å; D309-K312 IonicContact OD2-NZ 3.12Å; D309-K312 PolarHBondContact OD2-NZ 2.85Å; D309-K312 VanDerWaalsContact OD2-NZ 3.12Å
310	I	89.7	Confident	73.9	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.021	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.2	-178.7	-165.4	64.8	0	0	0	112.2	K312 N313 A314 L316 W336 F499	I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 3.31Å; I310-N313 CarbonylContact O-C 3.59Å; I310-N313 PolarHBondContact O-N 3.09Å; I310-A314 VanDerWaalsContact O-CA 3.29Å; I310-A314 WeakPolarHBondContact O-CA 3.43Å; I310-A314 WeakPolarHBondContact O-CB 3.23Å; I310-A314 PolarHBondContact O-N 2.67Å; I310-A314 VanDerWaalsContact O-N 3.11Å; I310-L316 HydrophobicContact CD1-CD2 3.94Å; I310-W336 HydrophobicContact CB-CH2 4.18Å; I310-W336 HydrophobicContact CB-CZ2 3.63Å; I310-W336 HydrophobicContact CD1-CH2 3.96Å; I310-W336 HydrophobicContact CD1-CZ2 4.27Å; I310-W336 HydrophobicContact CD1-CZ3 4.3Å; I310-W336 HydrophobicContact CG1-CH2 4.4Å; I310-W336 HydrophobicContact CG1-CZ2 4.22Å; I310-W336 HydrophobicContact CG2-CZ2 4.21Å; I310-F499 HydrophobicContact CB-CD1 4.33Å; I310-F499 HydrophobicContact CB-CG 4.48Å; I310-F499 HydrophobicContact CD1-CE2 4.44Å; I310-F499 HydrophobicContact CD1-CZ 4.33Å; I310-F499 HydrophobicContact CG1-CD1 3.85Å; I310-F499 HydrophobicContact CG1-CD2 3.85Å; I310-F499 HydrophobicContact CG1-CE1 3.85Å; I310-F499 HydrophobicContact CG1-CE2 3.86Å; I310-F499 HydrophobicContact CG1-CG 3.85Å; I310-F499 HydrophobicContact CG1-CZ 3.86Å; I310-F499 HydrophobicContact CG2-CB 3.87Å; I310-F499 HydrophobicContact CG2-CD1 3.65Å; I310-F499 HydrophobicContact CG2-CE1 4.34Å; I310-F499 HydrophobicContact CG2-CG 3.77Å
311	C	88.1	Confident	76.7	Confident	44 Å²	44	67.5 Å²	67.5	30%	0.297	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.2	177.8	-64.2	0	0	0	0	112.9	D309 C501	D309-C311 PolarHBondContact O-N 3.47Å; D309-C311 WeakPolarHBondContact OD1-CB 3.45Å; D309-C311 PolarHBondContact OD1-N 3.09Å; D309-C311 VanDerWaalsContact OD1-N 3.12Å; C311-C501 WeakPolarHBondContact CA-SG 3.25Å; C311-C501 HydrophobicContact CB-CB 3.69Å; C311-C501 WeakPolarHBondContact CB-SG 3.4Å; C311-C501 WeakPolarHBondContact SG-CB 3.34Å; C311-C501 CovalentContact SG-SG 2.04Å; C311-C501 PolarHBondContact SG-SG 3.33Å
312	K	89.3	Confident	79.1	Confident	173 Å²	173	62.9 Å²	62.9	75%	0.752	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-28.3	172.2	-74.4	175.8	-175.1	150	0	113.2	D309 I310	D309-K312 HydrophobicContact CB-CB 4.38Å; D309-K312 HydrophobicContact CB-CD 4.04Å; D309-K312 HydrophobicContact CB-CG 4.27Å; D309-K312 PolarHBondContact O-N 2.92Å; D309-K312 VanDerWaalsContact O-N 3.12Å; D309-K312 WeakPolarHBondContact OD2-CD 3.27Å; D309-K312 WeakPolarHBondContact OD2-CE 3.33Å; D309-K312 WeakPolarHBondContact OD2-CG 3.36Å; D309-K312 IonicContact OD2-NZ 3.12Å; D309-K312 PolarHBondContact OD2-NZ 2.85Å; D309-K312 VanDerWaalsContact OD2-NZ 3.12Å; I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 3.31Å
313	N	91.3	Very high	80.9	Confident	92 Å²	92	57.6 Å²	57.6	49%	0.492	32%	0.317	S	S	.	.			trans	-149.6	84.5	-179.3	-177.5	30.7	0	0	0	110.3	I310 V315 Q331	I310-N313 CarbonylContact O-C 3.59Å; I310-N313 PolarHBondContact O-N 3.09Å; N313-V315 PolarHBondContact O-N 3.19Å; N313-V315 VanDerWaalsContact OD1-CG2 3.25Å; N313-V315 WeakPolarHBondContact OD1-CG2 3.17Å; N313-Q331 PolarHBondContact O-NE2 3.42Å
314	A	92.9	Very high	82.4	Confident	9 Å²	9	57.5 Å²	57.5	7%	0.074	31%	0.308	C	S	.	.			trans	-80.9	38.8	-176.7	0	0	0	0	0	113.5	I310 T494	I310-A314 VanDerWaalsContact O-CA 3.29Å; I310-A314 WeakPolarHBondContact O-CA 3.43Å; I310-A314 WeakPolarHBondContact O-CB 3.23Å; I310-A314 PolarHBondContact O-N 2.67Å; I310-A314 VanDerWaalsContact O-N 3.11Å; A314-T494 HydrophobicContact CB-CG2 4.29Å; A314-T494 WeakPolarHBondContact O-CB 3.42Å; A314-T494 WeakPolarHBondContact O-CG2 3.37Å
315	V	96.2	Very high	84.1	Confident	36 Å²	36	52 Å²	52	22%	0.218	29%	0.286	C	S	.	.			trans	-96.6	118.8	174	-177.3	0	0	0	0	108.3	N313 Q331 D457	N313-V315 PolarHBondContact O-N 3.19Å; N313-V315 VanDerWaalsContact OD1-CG2 3.25Å; N313-V315 WeakPolarHBondContact OD1-CG2 3.17Å; V315-Q331 PolarHBondContact O-NE2 3.15Å; V315-D457 HydrophobicContact CG1-CB 4.36Å
316	L	97.6	Very high	85.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	26%	0.255	C	S	.	.			trans	-90.1	146.4	-178.4	-55.3	-177.7	0	0	0	110.9	I310 I319 A329 D457 A458 F470 T494 F499	I310-L316 HydrophobicContact CD1-CD2 3.94Å; L316-I319 HydrophobicContact CD1-CB 4.25Å; L316-I319 HydrophobicContact CD1-CD1 4.34Å; L316-A329 HydrophobicContact CD1-CB 4.1Å; L316-A329 HydrophobicContact CD2-CB 4.21Å; L316-D457 WeakPolarHBondContact O-CB 3.36Å; L316-A458 HydrophobicContact CB-CB 4.31Å; L316-F470 HydrophobicContact CD1-CD1 3.9Å; L316-F470 HydrophobicContact CD1-CE1 4Å; L316-F470 HydrophobicContact CD1-CG 4.32Å; L316-T494 HydrophobicContact CD1-CG2 4.26Å; L316-T494 HydrophobicContact CG-CG2 4.33Å; L316-F499 HydrophobicContact CD1-CE2 4.42Å; L316-F499 HydrophobicContact CD2-CE2 3.83Å; L316-F499 HydrophobicContact CD2-CZ 3.7Å
317	D	98.1	Very high	87.3	Confident	52 Å²	52	39.8 Å²	39.8	28%	0.278	22%	0.223	S	C	.	.	S	Bend	trans	-80.7	-40.7	167.2	-66.6	-7.1	0	0	0	109.9	F330 G332 I362	D317-F330 PolarHBondContact N-O 3.35Å; D317-G332 WeakPolarHBondContact OD2-CA 3.45Å; D317-G332 PolarHBondContact OD2-N 2.94Å; D317-I362 WeakPolarHBondContact CB-O 3.29Å
318	T	98.2	Very high	88.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	167.7	170	-155.4	0	0	0	0	112.5	F330 I362 A364 A365	T318-F330 HydrophobicContact CG2-CB 4.01Å; T318-F330 HydrophobicContact CG2-CD2 3.73Å; T318-F330 HydrophobicContact CG2-CG 4.1Å; T318-F330 PolarHBondContact N-O 3.5Å; T318-F330 PolarHBondContact O-N 3.06Å; T318-I362 HydrophobicContact CG2-CB 4.15Å; T318-I362 HydrophobicContact CG2-CG2 3.82Å; T318-A364 WeakPolarHBondContact OG1-CA 3.39Å; T318-A365 HydrophobicContact CG2-CB 3.73Å; T318-A365 PolarHBondContact OG1-N 3.21Å
319	I	98.2	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	141.8	175.1	-172.8	171.5	0	0	0	109.1	L316 T327 Y328 A329 L338 A458 F460 F470 W498	L316-I319 HydrophobicContact CD1-CB 4.25Å; L316-I319 HydrophobicContact CD1-CD1 4.34Å; I319-T327 HydrophobicContact CD1-CG2 4.12Å; I319-T327 HydrophobicContact CG1-CG2 4.13Å; I319-Y328 CarbonylContact C-O 3.2Å; I319-Y328 VanDerWaalsContact CA-O 3.29Å; I319-Y328 WeakPolarHBondContact CA-O 3.3Å; I319-Y328 WeakPolarHBondContact CG1-O 3.38Å; I319-A329 HydrophobicContact CB-CB 4.47Å; I319-A329 HydrophobicContact CD1-CB 4.29Å; I319-A329 HydrophobicContact CG1-CB 4.18Å; I319-L338 HydrophobicContact CD1-CD1 3.9Å; I319-A458 HydrophobicContact CG2-CB 3.91Å; I319-F460 HydrophobicContact CD1-CD1 4.4Å; I319-F460 HydrophobicContact CD1-CE1 3.85Å; I319-F460 HydrophobicContact CD1-CE2 4.17Å; I319-F460 HydrophobicContact CD1-CZ 3.72Å; I319-F460 HydrophobicContact CG1-CD1 4.46Å; I319-F460 HydrophobicContact CG1-CD2 4.32Å; I319-F460 HydrophobicContact CG1-CE1 4.35Å; I319-F460 HydrophobicContact CG1-CE2 4.18Å; I319-F460 HydrophobicContact CG1-CG 4.45Å; I319-F460 HydrophobicContact CG1-CZ 4.2Å; I319-F460 HydrophobicContact CG2-CB 4.11Å; I319-F460 HydrophobicContact CG2-CD1 3.56Å; I319-F460 HydrophobicContact CG2-CD2 4.5Å; I319-F460 HydrophobicContact CG2-CE1 4.05Å; I319-F460 HydrophobicContact CG2-CG 3.83Å; I319-F460 WeakPolarHBondContact O-CB 3.25Å; I319-F470 HydrophobicContact CD1-CE2 4.23Å; I319-F470 HydrophobicContact CD1-CZ 3.93Å; I319-F470 HydrophobicContact CG2-CD2 3.92Å; I319-F470 HydrophobicContact CG2-CE2 3.63Å; I319-F470 HydrophobicContact CG2-CZ 4.34Å; I319-W498 HydrophobicContact CD1-CE3 4.25Å; I319-W498 HydrophobicContact CD1-CZ3 4.26Å
320	T	95.3	Very high	89.9	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	162.6	176.1	-167.3	0	0	0	0	112.1	T327 Y328 A365 T367 T373 F375	T320-T327 WeakPolarHBondContact O-CA 3.3Å; T320-Y328 PolarHBondContact N-O 2.8Å; T320-Y328 PolarHBondContact O-N 3.46Å; T320-A365 HydrophobicContact CG2-CB 3.83Å; T320-T367 PolarHBondContact OG1-OG1 3.14Å; T320-T373 HydrophobicContact CG2-CG2 4.04Å; T320-F375 HydrophobicContact CG2-CE1 4Å; T320-F375 HydrophobicContact CG2-CZ 4.18Å
321	V	88.5	Confident	90.2	Very high	18 Å²	18	31.9 Å²	31.9	11%	0.109	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.5	167.1	177.5	0	0	0	0	107.7	S326 T367 F460 T463	V321-S326 WeakPolarHBondContact CA-O 3.46Å; V321-T367 WeakPolarHBondContact O-CB 3.28Å; V321-T367 WeakPolarHBondContact O-CG2 3.29Å; V321-T367 PolarHBondContact O-OG1 3.11Å; V321-F460 HydrophobicContact CG2-CD2 3.93Å; V321-F460 HydrophobicContact CG2-CE2 3.86Å; V321-T463 HydrophobicContact CG1-CG2 3.7Å; V321-T463 HydrophobicContact CG2-CG2 4.23Å
322	I	84.8	Confident	90.6	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.097	17%	0.174	C	C	.	.			trans	-86.8	172.5	174.6	65.8	168.4	0	0	0	111.9	N324 G325 S326 Y328 W355 T373	I322-N324 WeakPolarHBondContact CD1-OD1 3.09Å; I322-N324 VanDerWaalsContact CG1-OD1 3.27Å; I322-N324 WeakPolarHBondContact CG1-OD1 3.42Å; I322-N324 PolarHBondContact O-N 3.5Å; I322-G325 PolarHBondContact O-N 3.25Å; I322-S326 PolarHBondContact N-O 3.44Å; I322-Y328 HydrophobicContact CD1-CD2 4.35Å; I322-Y328 HydrophobicContact CD1-CE2 3.52Å; I322-Y328 HydrophobicContact CG1-CD2 4.27Å; I322-Y328 HydrophobicContact CG1-CE2 3.79Å; I322-Y328 HydrophobicContact CG2-CD2 4.05Å; I322-Y328 HydrophobicContact CG2-CE2 4.29Å; I322-W355 HydrophobicContact CG2-CH2 4.06Å; I322-T373 HydrophobicContact CG2-CG2 4.32Å
323	G	74.6	Confident	90.8	Very high	33 Å²	33	26.2 Å²	26.2	34%	0.34	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.9	-175	0	0	0	0	0	116.3	G325 G371 A386	G323-G325 VanDerWaalsContact C-N 3.29Å; G323-G325 PolarHBondContact O-N 3.31Å; G323-G371 WeakPolarHBondContact CA-O 3.21Å; G323-G371 PolarHBondContact N-O 3.25Å; G323-A386 CarbonylContact C-O 3.54Å; G323-A386 WeakPolarHBondContact CA-O 3.33Å
324	N	75.2	Confident	91.1	Very high	101 Å²	101	23.7 Å²	23.7	54%	0.54	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	6.9	174.9	75.5	14.3	0	0	0	115	I322 S326	I322-N324 WeakPolarHBondContact CD1-OD1 3.09Å; I322-N324 VanDerWaalsContact CG1-OD1 3.27Å; I322-N324 WeakPolarHBondContact CG1-OD1 3.42Å; I322-N324 PolarHBondContact O-N 3.5Å; N324-S326 VanDerWaalsContact C-N 3.3Å; N324-S326 PolarHBondContact O-N 3.35Å; N324-S326 WeakPolarHBondContact OD1-CB 3.35Å; N324-S326 PolarHBondContact OD1-N 3.22Å; N324-S326 PolarHBondContact OD1-OG 3.06Å
325	G	76.4	Confident	91.1	Very high	26 Å²	26	23.7 Å²	23.7	27%	0.268	14%	0.137	S	C	.	.	S	Bend	trans	79.9	0.5	-179.5	0	0	0	0	0	115.2	I322 G323 T463	I322-G325 PolarHBondContact O-N 3.25Å; G323-G325 VanDerWaalsContact C-N 3.29Å; G323-G325 PolarHBondContact O-N 3.31Å; G325-T463 WeakPolarHBondContact O-CG2 3.49Å
326	S	78.8	Confident	91	Very high	12 Å²	12	22 Å²	22	8%	0.084	13%	0.127	C	C	.	.			trans	-75.4	136.3	176.3	-57.1	0	0	0	0	111.1	K116 V321 I322 N324	K116-S326 PolarHBondContact NZ-OG 2.7Å; V321-S326 WeakPolarHBondContact CA-O 3.46Å; I322-S326 PolarHBondContact N-O 3.44Å; N324-S326 VanDerWaalsContact C-N 3.3Å; N324-S326 PolarHBondContact O-N 3.35Å; N324-S326 WeakPolarHBondContact OD1-CB 3.35Å; N324-S326 PolarHBondContact OD1-N 3.22Å; N324-S326 PolarHBondContact OD1-OG 3.06Å
327	T	87.5	Confident	90.5	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.055	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.7	-178.9	-53.8	0	0	0	0	109.9	I319 T320 L338 F460 W462	I319-T327 HydrophobicContact CD1-CG2 4.12Å; I319-T327 HydrophobicContact CG1-CG2 4.13Å; T320-T327 WeakPolarHBondContact O-CA 3.3Å; T327-L338 HydrophobicContact CG2-CB 4.28Å; T327-L338 HydrophobicContact CG2-CD1 3.96Å; T327-L338 HydrophobicContact CG2-CG 4.3Å; T327-L338 PolarHBondContact O-N 3.49Å; T327-F460 HydrophobicContact CG2-CE2 3.81Å; T327-F460 HydrophobicContact CG2-CZ 4.29Å; T327-W462 PolarHBondContact OG1-NE1 3.27Å
328	Y	92.9	Very high	89.8	Confident	22 Å²	22	24.3 Å²	24.3	9%	0.086	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.7	178.5	-64.4	-86.4	0	0	0	111.1	I319 T320 I322 Y335 W336 R337 W355	I319-Y328 CarbonylContact C-O 3.2Å; I319-Y328 VanDerWaalsContact CA-O 3.29Å; I319-Y328 WeakPolarHBondContact CA-O 3.3Å; I319-Y328 WeakPolarHBondContact CG1-O 3.38Å; T320-Y328 PolarHBondContact N-O 2.8Å; T320-Y328 PolarHBondContact O-N 3.46Å; I322-Y328 HydrophobicContact CD1-CD2 4.35Å; I322-Y328 HydrophobicContact CD1-CE2 3.52Å; I322-Y328 HydrophobicContact CG1-CD2 4.27Å; I322-Y328 HydrophobicContact CG1-CE2 3.79Å; I322-Y328 HydrophobicContact CG2-CD2 4.05Å; I322-Y328 HydrophobicContact CG2-CE2 4.29Å; Y328-Y335 AromaticContact CD1-CD2 3.67Å; Y328-Y335 HydrophobicContact CD1-CD2 3.67Å; Y328-Y335 AromaticContact CD1-CE2 3.7Å; Y328-Y335 HydrophobicContact CD1-CE2 3.7Å; Y328-Y335 HydrophobicContact CE1-CD2 4.25Å; Y328-Y335 AromaticContact CE1-CE2 3.8Å; Y328-Y335 HydrophobicContact CE1-CE2 3.8Å; Y328-W336 VanDerWaalsContact CA-O 3.22Å; Y328-W336 WeakPolarHBondContact CA-O 3.43Å; Y328-R337 HydrophobicContact CD1-CB 3.78Å; Y328-R337 HydrophobicContact CD1-CG 3.99Å; Y328-R337 HydrophobicContact CE1-CB 3.47Å; Y328-R337 VanDerWaalsContact CE1-CB 3.47Å; Y328-R337 HydrophobicContact CE1-CG 3.45Å; Y328-R337 VanDerWaalsContact CE1-CG 3.45Å; Y328-R337 VanDerWaalsContact OH-CD 3.29Å; Y328-R337 WeakPolarHBondContact OH-CD 2.87Å; Y328-W355 HydrophobicContact CD1-CZ2 4.27Å; Y328-W355 HydrophobicContact CD2-CH2 4.41Å; Y328-W355 HydrophobicContact CD2-CZ2 4.33Å; Y328-W355 HydrophobicContact CE1-CZ2 4.47Å; Y328-W355 HydrophobicContact CG-CZ2 4.17Å
329	A	97.1	Very high	88.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.4	173.2	0	0	0	0	0	110	L316 I319 Y335 W336 L338 F499	L316-A329 HydrophobicContact CD1-CB 4.1Å; L316-A329 HydrophobicContact CD2-CB 4.21Å; I319-A329 HydrophobicContact CB-CB 4.47Å; I319-A329 HydrophobicContact CD1-CB 4.29Å; I319-A329 HydrophobicContact CG1-CB 4.18Å; A329-Y335 CarbonylContact O-C 3.53Å; A329-Y335 WeakPolarHBondContact O-CA 3.5Å; A329-Y335 WeakPolarHBondContact O-CB 3.43Å; A329-W336 PolarHBondContact N-O 3.4Å; A329-W336 PolarHBondContact O-N 2.97Å; A329-L338 HydrophobicContact CB-CD1 4.29Å; A329-L338 HydrophobicContact CB-CD2 4.37Å; A329-L338 HydrophobicContact CB-CG 4.43Å; A329-F499 HydrophobicContact CB-CE1 4.37Å; A329-F499 HydrophobicContact CB-CZ 3.78Å
330	F	97.4	Very high	86.3	Confident	1 Å²	1	29.4 Å²	29.4	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.7	-172.8	-61.4	-99	0	0	0	110.8	D317 T318 W334 Y335 I351 W355 I362 F375	D317-F330 PolarHBondContact N-O 3.35Å; T318-F330 HydrophobicContact CG2-CB 4.01Å; T318-F330 HydrophobicContact CG2-CD2 3.73Å; T318-F330 HydrophobicContact CG2-CG 4.1Å; T318-F330 PolarHBondContact N-O 3.5Å; T318-F330 PolarHBondContact O-N 3.06Å; F330-W334 WeakPolarHBondContact CA-O 3.31Å; F330-Y335 HydrophobicContact CD1-CG 4.34Å; F330-Y335 HydrophobicContact CE1-CD2 4.32Å; F330-Y335 HydrophobicContact CE1-CG 4.07Å; F330-I351 HydrophobicContact CD1-CD1 3.86Å; F330-I351 HydrophobicContact CD1-CG1 3.98Å; F330-I351 HydrophobicContact CE1-CG1 4.3Å; F330-W355 HydrophobicContact CE1-CZ2 4.3Å; F330-W355 HydrophobicContact CZ-CH2 4.32Å; F330-W355 AromaticContact CZ-CZ2 3.79Å; F330-W355 HydrophobicContact CZ-CZ2 3.79Å; F330-I362 HydrophobicContact CD1-CD1 3.57Å; F330-I362 HydrophobicContact CE1-CD1 3.82Å; F330-I362 HydrophobicContact CG-CD1 4.09Å; F330-F375 HydrophobicContact CE1-CE1 4.41Å; F330-F375 AromaticContact CE2-CE1 3.77Å; F330-F375 HydrophobicContact CE2-CE1 3.77Å; F330-F375 HydrophobicContact CE2-CZ 4.41Å; F330-F375 AromaticContact CZ-CE1 3.65Å; F330-F375 HydrophobicContact CZ-CE1 3.65Å; F330-F375 HydrophobicContact CZ-CZ 4.01Å
331	Q	96.9	Very high	84.4	Confident	18 Å²	18	32 Å²	32	8%	0.084	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	116.9	174.8	-169	-173.5	45.6	0	0	110.4	V308 N313 V315 K333 W334 W336	V308-Q331 VanDerWaalsContact CG2-OE1 3.29Å; N313-Q331 PolarHBondContact O-NE2 3.42Å; V315-Q331 PolarHBondContact O-NE2 3.15Å; Q331-K333 PolarHBondContact O-N 3.11Å; Q331-W334 PolarHBondContact N-O 3.32Å; Q331-W334 WeakPolarHBondContact O-CB 3.43Å; Q331-W334 PolarHBondContact O-N 2.9Å; Q331-W336 HydrophobicContact CB-CH2 3.96Å; Q331-W336 HydrophobicContact CB-CZ3 3.65Å
332	G	94.8	Very high	83.7	Confident	14 Å²	14	32 Å²	32	14%	0.144	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-119.5	-173.3	0	0	0	0	0	111.7	D317 W334 H361	D317-G332 WeakPolarHBondContact OD2-CA 3.45Å; D317-G332 PolarHBondContact OD2-N 2.94Å; G332-W334 VanDerWaalsContact C-N 3.34Å; G332-H361 PolarHBondContact O-N 3.33Å
333	K	95.2	Very high	83.4	Confident	83 Å²	83	34.6 Å²	34.6	36%	0.361	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.6	177.4	67	-175.2	179.4	-176.2	0	114.2	Q331 R350 I351 D360	Q331-K333 PolarHBondContact O-N 3.11Å; K333-R350 WeakPolarHBondContact O-CA 3.23Å; K333-I351 PolarHBondContact O-N 3.02Å; K333-D360 HydrophobicContact CB-CB 4.05Å; K333-D360 VanDerWaalsContact CB-CG 3.48Å; K333-D360 VanDerWaalsContact CB-OD2 3.25Å; K333-D360 WeakPolarHBondContact CB-OD2 3.33Å
334	W	95.7	Very high	83.3	Confident	39 Å²	39	34.9 Å²	34.9	15%	0.148	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.9	-170.4	-58.1	102.7	0	0	0	111.6	N306 V308 F330 Q331 G332 W336 P348 R349 R350	N306-W334 WeakPolarHBondContact O-CZ2 3.29Å; V308-W334 HydrophobicContact CB-CG 4.2Å; V308-W334 HydrophobicContact CG1-CB 3.63Å; V308-W334 HydrophobicContact CG1-CD2 3.99Å; V308-W334 HydrophobicContact CG1-CG 3.35Å; F330-W334 WeakPolarHBondContact CA-O 3.31Å; Q331-W334 PolarHBondContact N-O 3.32Å; Q331-W334 WeakPolarHBondContact O-CB 3.43Å; Q331-W334 PolarHBondContact O-N 2.9Å; G332-W334 VanDerWaalsContact C-N 3.34Å; W334-W336 HydrophobicContact CB-CH2 4.11Å; W334-W336 HydrophobicContact CB-CZ3 4.19Å; W334-P348 HydrophobicContact CB-CB 4.12Å; W334-P348 HydrophobicContact CE3-CB 4.06Å; W334-P348 HydrophobicContact CE3-CG 4.48Å; W334-R349 CarbonylContact C-O 3.58Å; W334-R349 WeakPolarHBondContact CA-O 3.02Å; W334-R350 HydrophobicContact CD2-CG 4.43Å; W334-R350 HydrophobicContact CE3-CG 3.79Å; W334-R350 HydrophobicContact CH2-CG 3.84Å; W334-R350 HydrophobicContact CZ2-CG 4.49Å; W334-R350 HydrophobicContact CZ3-CG 3.46Å; W334-R350 VanDerWaalsContact CZ3-CG 3.46Å
335	Y	94	Very high	83.4	Confident	9 Å²	9	39.6 Å²	39.6	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157	172.5	80.9	-75.2	0	0	0	111.5	Y328 A329 F330 Y347 P348 R349 I351 D354 W355	Y328-Y335 AromaticContact CD1-CD2 3.67Å; Y328-Y335 HydrophobicContact CD1-CD2 3.67Å; Y328-Y335 AromaticContact CD1-CE2 3.7Å; Y328-Y335 HydrophobicContact CD1-CE2 3.7Å; Y328-Y335 HydrophobicContact CE1-CD2 4.25Å; Y328-Y335 AromaticContact CE1-CE2 3.8Å; Y328-Y335 HydrophobicContact CE1-CE2 3.8Å; A329-Y335 CarbonylContact O-C 3.53Å; A329-Y335 WeakPolarHBondContact O-CA 3.5Å; A329-Y335 WeakPolarHBondContact O-CB 3.43Å; F330-Y335 HydrophobicContact CD1-CG 4.34Å; F330-Y335 HydrophobicContact CE1-CD2 4.32Å; F330-Y335 HydrophobicContact CE1-CG 4.07Å; Y335-Y347 HydrophobicContact CD2-CE1 4.06Å; Y335-Y347 HydrophobicContact CE2-CD1 4.5Å; Y335-Y347 AromaticContact CE2-CE1 3.55Å; Y335-Y347 HydrophobicContact CE2-CE1 3.55Å; Y335-Y347 AromaticContact CZ-CE1 3.81Å; Y335-Y347 WeakPolarHBondContact O-CD1 3.34Å; Y335-P348 VanDerWaalsContact O-CA 3.29Å; Y335-P348 WeakPolarHBondContact O-CA 2.95Å; Y335-R349 HydrophobicContact CD1-CB 4.13Å; Y335-R349 WeakPolarHBondContact CD1-O 3.39Å; Y335-R349 HydrophobicContact CE1-CB 3.49Å; Y335-R349 VanDerWaalsContact CE1-CB 3.49Å; Y335-R349 PolarHBondContact N-O 2.95Å; Y335-R349 PolarHBondContact O-N 3.43Å; Y335-I351 HydrophobicContact CD1-CG1 4.16Å; Y335-D354 HydrophobicContact CE1-CB 4.06Å; Y335-D354 WeakPolarHBondContact OH-CB 3.4Å; Y335-D354 PolarHBondContact OH-OD2 3.05Å; Y335-W355 AromaticContact CD1-NE1 3.81Å; Y335-W355 HydrophobicContact CD2-CZ2 4.42Å; Y335-W355 AromaticContact CD2-NE1 3.53Å; Y335-W355 AromaticContact CE1-CD1 3.84Å; Y335-W355 AromaticContact CE1-NE1 3.59Å; Y335-W355 HydrophobicContact CE2-CZ2 4.25Å; Y335-W355 AromaticContact CE2-NE1 3.26Å; Y335-W355 VanDerWaalsContact CE2-NE1 3.26Å; Y335-W355 AromaticContact CG-NE1 3.8Å; Y335-W355 AromaticContact CZ-CD1 3.93Å; Y335-W355 AromaticContact CZ-NE1 3.33Å; Y335-W355 VanDerWaalsContact CZ-NE1 3.33Å
336	W	94.8	Very high	83.4	Confident	1 Å²	1	41 Å²	41	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138	177.4	-65.1	-106.5	0	0	0	109.2	V308 I310 Y328 A329 Q331 W334 L338 Y343 P348 F499	V308-W336 HydrophobicContact CG1-CH2 3.44Å; V308-W336 VanDerWaalsContact CG1-CH2 3.44Å; V308-W336 HydrophobicContact CG1-CZ2 3.58Å; I310-W336 HydrophobicContact CB-CH2 4.18Å; I310-W336 HydrophobicContact CB-CZ2 3.63Å; I310-W336 HydrophobicContact CD1-CH2 3.96Å; I310-W336 HydrophobicContact CD1-CZ2 4.27Å; I310-W336 HydrophobicContact CD1-CZ3 4.3Å; I310-W336 HydrophobicContact CG1-CH2 4.4Å; I310-W336 HydrophobicContact CG1-CZ2 4.22Å; I310-W336 HydrophobicContact CG2-CZ2 4.21Å; Y328-W336 VanDerWaalsContact CA-O 3.22Å; Y328-W336 WeakPolarHBondContact CA-O 3.43Å; A329-W336 PolarHBondContact N-O 3.4Å; A329-W336 PolarHBondContact O-N 2.97Å; Q331-W336 HydrophobicContact CB-CH2 3.96Å; Q331-W336 HydrophobicContact CB-CZ3 3.65Å; W334-W336 HydrophobicContact CB-CH2 4.11Å; W334-W336 HydrophobicContact CB-CZ3 4.19Å; W336-L338 HydrophobicContact CB-CD2 3.98Å; W336-Y343 AromaticContact CD1-CD1 3.78Å; W336-Y343 AromaticContact CD1-CD2 3.79Å; W336-Y343 AromaticContact CD1-CG 3.56Å; W336-Y343 HydrophobicContact CG-CG 4.48Å; W336-P348 HydrophobicContact CD2-CB 4.04Å; W336-P348 HydrophobicContact CG-CB 4.44Å; W336-P348 HydrophobicContact CH2-CB 4.36Å; W336-P348 HydrophobicContact CZ2-CB 3.74Å; W336-P348 HydrophobicContact CZ2-CG 3.84Å; W336-F499 HydrophobicContact CB-CE1 4.05Å; W336-F499 AromaticContact CD2-CE1 3.93Å; W336-F499 HydrophobicContact CD2-CE1 3.93Å; W336-F499 HydrophobicContact CE3-CE1 4.39Å; W336-F499 HydrophobicContact CG-CD1 4.36Å; W336-F499 AromaticContact CG-CE1 3.77Å; W336-F499 HydrophobicContact CG-CE1 3.77Å
337	R	86.4	Confident	83.7	Confident	88 Å²	88	41.2 Å²	41.2	33%	0.332	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.8	160.9	-167	170.2	74.3	-172.7	3	108.1	Y328 Y343 D344 Y347	Y328-R337 HydrophobicContact CD1-CB 3.78Å; Y328-R337 HydrophobicContact CD1-CG 3.99Å; Y328-R337 HydrophobicContact CE1-CB 3.47Å; Y328-R337 VanDerWaalsContact CE1-CB 3.47Å; Y328-R337 HydrophobicContact CE1-CG 3.45Å; Y328-R337 VanDerWaalsContact CE1-CG 3.45Å; Y328-R337 VanDerWaalsContact OH-CD 3.29Å; Y328-R337 WeakPolarHBondContact OH-CD 2.87Å; R337-Y343 CarbonylContact O-C 3.44Å; R337-Y343 VanDerWaalsContact O-CA 3.25Å; R337-Y343 WeakPolarHBondContact O-CA 3.49Å; R337-Y343 WeakPolarHBondContact O-CB 2.94Å; R337-D344 IonicContact CZ-OD2 3.02Å; R337-D344 IonicContact NE-OD2 2.69Å; R337-D344 PolarHBondContact NE-OD2 3.04Å; R337-D344 IonicContact NH2-OD2 3.59Å; R337-D344 PolarHBondContact NH2-OD2 3.45Å; R337-D344 PolarHBondContact O-N 2.78Å; R337-Y347 HydrophobicContact CB-CD1 4.47Å; R337-Y347 HydrophobicContact CB-CD2 4.06Å; R337-Y347 HydrophobicContact CB-CE1 3.87Å; R337-Y347 HydrophobicContact CB-CE2 3.39Å; R337-Y347 WeakPolarHBondContact CB-OH 3.34Å
338	L	83.3	Confident	84	Confident	14 Å²	14	41.3 Å²	41.3	7%	0.073	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.1	-179.1	-53.6	-171.5	0	0	0	110.1	I319 T327 A329 W336 S342 W498 F499	I319-L338 HydrophobicContact CD1-CD1 3.9Å; T327-L338 HydrophobicContact CG2-CB 4.28Å; T327-L338 HydrophobicContact CG2-CD1 3.96Å; T327-L338 HydrophobicContact CG2-CG 4.3Å; T327-L338 PolarHBondContact O-N 3.49Å; A329-L338 HydrophobicContact CB-CD1 4.29Å; A329-L338 HydrophobicContact CB-CD2 4.37Å; A329-L338 HydrophobicContact CB-CG 4.43Å; W336-L338 HydrophobicContact CB-CD2 3.98Å; L338-S342 WeakPolarHBondContact CA-O 3.42Å; L338-W498 HydrophobicContact CD1-CB 4.5Å; L338-W498 HydrophobicContact CD1-CE3 3.57Å; L338-W498 HydrophobicContact CD1-CZ3 4.23Å; L338-F499 HydrophobicContact CD2-CD1 4.15Å; L338-F499 HydrophobicContact CD2-CE1 3.64Å; L338-F499 HydrophobicContact CD2-CZ 4.1Å
339	N	65.6	Low	83.6	Confident	59 Å²	59	45.2 Å²	45.2	32%	0.316	22%	0.223	S	C	.	.			trans	-112.6	-162.2	165.7	61.4	43	0	0	0	109	L341 S342 Y343 D344	N339-L341 PolarHBondContact OD1-N 3.16Å; N339-L341 VanDerWaalsContact OD1-N 3.08Å; N339-S342 PolarHBondContact N-O 2.94Å; N339-S342 VanDerWaalsContact OD1-C 3.3Å; N339-S342 PolarHBondContact OD1-N 3.14Å; N339-Y343 PolarHBondContact ND2-O 2.95Å; N339-D344 VanDerWaalsContact CB-OD1 3.31Å; N339-D344 WeakPolarHBondContact CB-OD1 3.33Å; N339-D344 PolarHBondContact ND2-N 3.33Å; N339-D344 PolarHBondContact ND2-OD1 2.93Å
340	Q	57.7	Low	83.2	Confident	48 Å²	48	49.7 Å²	49.7	22%	0.224	24%	0.24	C	C	.	.	S	Bend	trans	-77.3	-26.8	-173.7	-60.8	136.7	-2	0	0	113.8	D115 K116	D115-Q340 PolarHBondContact O-NE2 2.86Å; K116-Q340 PolarHBondContact O-NE2 2.83Å
341	L	55.6	Low	82.9	Confident	58 Å²	58	49.6 Å²	49.6	30%	0.304	24%	0.24	S	C	.	.	S	Bend	trans	-102.2	-35.3	-175	-60.9	-177.5	0	0	0	111.4	Y122 N339	Y122-L341 HydrophobicContact CD1-CD2 3.96Å; Y122-L341 HydrophobicContact CE1-CD1 4.23Å; Y122-L341 HydrophobicContact CE1-CD2 3.52Å; Y122-L341 HydrophobicContact CE1-CG 4.5Å; N339-L341 PolarHBondContact OD1-N 3.16Å; N339-L341 VanDerWaalsContact OD1-N 3.08Å
342	S	72.4	Confident	82.5	Confident	19 Å²	19	51.6 Å²	51.6	13%	0.133	26%	0.259	C	S	.	.	S	Bend	trans	-164	-106.4	-178.1	54.5	0	0	0	0	109.6	L338 N339 F499	L338-S342 WeakPolarHBondContact CA-O 3.42Å; N339-S342 PolarHBondContact N-O 2.94Å; N339-S342 VanDerWaalsContact OD1-C 3.3Å; N339-S342 PolarHBondContact OD1-N 3.14Å; S342-F499 VanDerWaalsContact CB-C 3.45Å; S342-F499 WeakPolarHBondContact CB-O 3.28Å
343	Y	80.3	Confident	82	Confident	73 Å²	73	55.5 Å²	55.5	29%	0.286	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-141.4	157.8	-179.3	56.7	-93.1	0	0	0	110.6	W336 R337 N339 F499	W336-Y343 AromaticContact CD1-CD1 3.78Å; W336-Y343 AromaticContact CD1-CD2 3.79Å; W336-Y343 AromaticContact CD1-CG 3.56Å; W336-Y343 HydrophobicContact CG-CG 4.48Å; R337-Y343 CarbonylContact O-C 3.44Å; R337-Y343 VanDerWaalsContact O-CA 3.25Å; R337-Y343 WeakPolarHBondContact O-CA 3.49Å; R337-Y343 WeakPolarHBondContact O-CB 2.94Å; N339-Y343 PolarHBondContact ND2-O 2.95Å; Y343-F499 HydrophobicContact CD1-CB 4.42Å; Y343-F499 AromaticContact CD1-CD1 3.84Å; Y343-F499 HydrophobicContact CD1-CD1 3.84Å; Y343-F499 HydrophobicContact CE1-CD1 4.38Å
344	D	71.9	Confident	81.4	Confident	38 Å²	38	54.5 Å²	54.5	20%	0.203	28%	0.275	C	S	.	.			trans	-68.5	153.8	-175.1	-75.3	-23.1	0	0	0	112.9	R337 N339 Y347	R337-D344 IonicContact CZ-OD2 3.02Å; R337-D344 IonicContact NE-OD2 2.69Å; R337-D344 PolarHBondContact NE-OD2 3.04Å; R337-D344 IonicContact NH2-OD2 3.59Å; R337-D344 PolarHBondContact NH2-OD2 3.45Å; R337-D344 PolarHBondContact O-N 2.78Å; N339-D344 VanDerWaalsContact CB-OD1 3.31Å; N339-D344 WeakPolarHBondContact CB-OD1 3.33Å; N339-D344 PolarHBondContact ND2-N 3.33Å; N339-D344 PolarHBondContact ND2-OD1 2.93Å; D344-Y347 HydrophobicContact CB-CD2 3.75Å; D344-Y347 HydrophobicContact CB-CE2 3.88Å; D344-Y347 WeakPolarHBondContact O-CB 3.38Å; D344-Y347 WeakPolarHBondContact O-CD2 3.2Å; D344-Y347 PolarHBondContact O-N 3.12Å
345	E	76.7	Confident	81	Confident	200 Å²	200	53.9 Å²	53.9	94%	0.935	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	142.2	172.5	-166.6	179.4	177.8	0	0	110.6
346	G	77.2	Confident	80.4	Confident	56 Å²	56	59.8 Å²	59.8	58%	0.577	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-4.7	-175.9	0	0	0	0	0	115	R349	G346-R349 WeakPolarHBondContact O-CG 3.33Å
347	Y	85.3	Confident	80.1	Confident	17 Å²	17	62.4 Å²	62.4	7%	0.067	33%	0.332	C	S	.	.			trans	-95.1	164.3	172.7	-71.9	-84.8	0	0	0	113.1	K307 Y335 R337 D344 R349	K307-Y347 WeakPolarHBondContact CE-O 3.5Å; K307-Y347 PolarHBondContact NZ-O 3.15Å; Y335-Y347 HydrophobicContact CD2-CE1 4.06Å; Y335-Y347 HydrophobicContact CE2-CD1 4.5Å; Y335-Y347 AromaticContact CE2-CE1 3.55Å; Y335-Y347 HydrophobicContact CE2-CE1 3.55Å; Y335-Y347 AromaticContact CZ-CE1 3.81Å; Y335-Y347 WeakPolarHBondContact O-CD1 3.34Å; R337-Y347 HydrophobicContact CB-CD1 4.47Å; R337-Y347 HydrophobicContact CB-CD2 4.06Å; R337-Y347 HydrophobicContact CB-CE1 3.87Å; R337-Y347 HydrophobicContact CB-CE2 3.39Å; R337-Y347 WeakPolarHBondContact CB-OH 3.34Å; D344-Y347 HydrophobicContact CB-CD2 3.75Å; D344-Y347 HydrophobicContact CB-CE2 3.88Å; D344-Y347 WeakPolarHBondContact O-CB 3.38Å; D344-Y347 WeakPolarHBondContact O-CD2 3.2Å; D344-Y347 PolarHBondContact O-N 3.12Å; Y347-R349 HydrophobicContact CD1-CB 4.17Å; Y347-R349 HydrophobicContact CD1-CG 3.87Å; Y347-R349 HydrophobicContact CE1-CB 4.25Å; Y347-R349 HydrophobicContact CE1-CG 4.01Å; Y347-R349 HydrophobicContact CG-CG 4.46Å
348	P	92.3	Very high	80.5	Confident	10 Å²	10	58.6 Å²	58.6	7%	0.065	32%	0.318	C	S	.	.	S	Bend	cis	-59.3	154.3	-14.3	21.3	-35.5	0	0	0	114	K307 V308 W334 Y335 W336	K307-P348 HydrophobicContact CD-CG 4.29Å; K307-P348 VanDerWaalsContact CE-CG 3.48Å; K307-P348 HydrophobicContact CG-CG 3.78Å; V308-P348 HydrophobicContact CG1-CB 4.43Å; V308-P348 HydrophobicContact CG1-CG 4.09Å; W334-P348 HydrophobicContact CB-CB 4.12Å; W334-P348 HydrophobicContact CE3-CB 4.06Å; W334-P348 HydrophobicContact CE3-CG 4.48Å; Y335-P348 VanDerWaalsContact O-CA 3.29Å; Y335-P348 WeakPolarHBondContact O-CA 2.95Å; W336-P348 HydrophobicContact CD2-CB 4.04Å; W336-P348 HydrophobicContact CG-CB 4.44Å; W336-P348 HydrophobicContact CH2-CB 4.36Å; W336-P348 HydrophobicContact CZ2-CB 3.74Å; W336-P348 HydrophobicContact CZ2-CG 3.84Å
349	R	86.1	Confident	81.1	Confident	105 Å²	105	59.4 Å²	59.4	40%	0.396	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	160.4	172	-66.4	-174.1	63.3	160.2	4.7	110	W334 Y335 G346 Y347 D354	W334-R349 CarbonylContact C-O 3.58Å; W334-R349 WeakPolarHBondContact CA-O 3.02Å; Y335-R349 HydrophobicContact CD1-CB 4.13Å; Y335-R349 WeakPolarHBondContact CD1-O 3.39Å; Y335-R349 HydrophobicContact CE1-CB 3.49Å; Y335-R349 VanDerWaalsContact CE1-CB 3.49Å; Y335-R349 PolarHBondContact N-O 2.95Å; Y335-R349 PolarHBondContact O-N 3.43Å; G346-R349 WeakPolarHBondContact O-CG 3.33Å; Y347-R349 HydrophobicContact CD1-CB 4.17Å; Y347-R349 HydrophobicContact CD1-CG 3.87Å; Y347-R349 HydrophobicContact CE1-CB 4.25Å; Y347-R349 HydrophobicContact CE1-CG 4.01Å; Y347-R349 HydrophobicContact CG-CG 4.46Å; R349-D354 VanDerWaalsContact CZ-CG 3.41Å; R349-D354 IonicContact CZ-OD1 3.03Å; R349-D354 IonicContact CZ-OD2 3.64Å; R349-D354 IonicContact NE-OD1 3.92Å; R349-D354 IonicContact NE-OD2 3.18Å; R349-D354 PolarHBondContact NE-OD2 3.37Å; R349-D354 IonicContact NH1-OD1 3.05Å; R349-D354 IonicContact NH2-OD1 2.65Å; R349-D354 PolarHBondContact NH2-OD1 3.06Å; R349-D354 IonicContact NH2-OD2 3.87Å; R349-D354 PolarHBondContact NH2-OD2 3.4Å
350	R	88.1	Confident	82.5	Confident	93 Å²	93	58.8 Å²	58.8	35%	0.351	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	139.2	177.7	-64.4	175.2	57.8	-130.6	-0.6	110	K333 W334 A352 D353	K333-R350 WeakPolarHBondContact O-CA 3.23Å; W334-R350 HydrophobicContact CD2-CG 4.43Å; W334-R350 HydrophobicContact CE3-CG 3.79Å; W334-R350 HydrophobicContact CH2-CG 3.84Å; W334-R350 HydrophobicContact CZ2-CG 4.49Å; W334-R350 HydrophobicContact CZ3-CG 3.46Å; W334-R350 VanDerWaalsContact CZ3-CG 3.46Å; R350-A352 VanDerWaalsContact C-N 3.34Å; R350-A352 PolarHBondContact O-N 3.5Å; R350-D353 HydrophobicContact CB-CB 4.35Å; R350-D353 WeakPolarHBondContact CB-OD2 3.04Å; R350-D353 IonicContact CZ-OD1 3.59Å; R350-D353 IonicContact NH1-OD1 2.79Å; R350-D353 PolarHBondContact NH1-OD1 2.67Å; R350-D353 IonicContact NH1-OD2 3.39Å; R350-D353 PolarHBondContact NH1-OD2 3.14Å; R350-D353 PolarHBondContact O-N 3.07Å
351	I	90.1	Very high	84.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.4	-50.3	179.4	-64	165.4	0	0	0	110.2	F330 K333 Y335 D353 D354 W355 L358 I362	F330-I351 HydrophobicContact CD1-CD1 3.86Å; F330-I351 HydrophobicContact CD1-CG1 3.98Å; F330-I351 HydrophobicContact CE1-CG1 4.3Å; K333-I351 PolarHBondContact O-N 3.02Å; Y335-I351 HydrophobicContact CD1-CG1 4.16Å; I351-D353 PolarHBondContact O-N 2.99Å; I351-D354 PolarHBondContact O-N 3.29Å; I351-D354 VanDerWaalsContact O-N 3.11Å; I351-W355 HydrophobicContact CG2-CB 4Å; I351-W355 HydrophobicContact CG2-CG 4.23Å; I351-W355 WeakPolarHBondContact O-CB 3.34Å; I351-W355 PolarHBondContact O-N 3.19Å; I351-L358 HydrophobicContact CG2-CB 4.01Å; I351-L358 HydrophobicContact CG2-CD2 3.92Å; I351-L358 HydrophobicContact CG2-CG 4.04Å; I351-I362 HydrophobicContact CD1-CD1 4.06Å; I351-I362 HydrophobicContact CD1-CG1 4.33Å
352	A	88.7	Confident	86.4	Confident	59 Å²	59	58.9 Å²	58.9	49%	0.488	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-17.2	-179.1	0	0	0	0	0	115.6	R350	R350-A352 VanDerWaalsContact C-N 3.34Å; R350-A352 PolarHBondContact O-N 3.5Å
353	D	84.9	Confident	87.6	Confident	96 Å²	96	59.8 Å²	59.8	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-87.5	-19.5	-178.9	-63.4	-15.1	0	0	0	111.9	R350 I351	R350-D353 HydrophobicContact CB-CB 4.35Å; R350-D353 WeakPolarHBondContact CB-OD2 3.04Å; R350-D353 IonicContact CZ-OD1 3.59Å; R350-D353 IonicContact NH1-OD1 2.79Å; R350-D353 PolarHBondContact NH1-OD1 2.67Å; R350-D353 IonicContact NH1-OD2 3.39Å; R350-D353 PolarHBondContact NH1-OD2 3.14Å; R350-D353 PolarHBondContact O-N 3.07Å; I351-D353 PolarHBondContact O-N 2.99Å
354	D	82.6	Confident	88.5	Confident	62 Å²	62	56.3 Å²	56.3	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-129.6	-26.7	-169.6	-69.2	-62.2	0	0	0	114.7	Y335 R349 I351	Y335-D354 HydrophobicContact CE1-CB 4.06Å; Y335-D354 WeakPolarHBondContact OH-CB 3.4Å; Y335-D354 PolarHBondContact OH-OD2 3.05Å; R349-D354 VanDerWaalsContact CZ-CG 3.41Å; R349-D354 IonicContact CZ-OD1 3.03Å; R349-D354 IonicContact CZ-OD2 3.64Å; R349-D354 IonicContact NE-OD1 3.92Å; R349-D354 IonicContact NE-OD2 3.18Å; R349-D354 PolarHBondContact NE-OD2 3.37Å; R349-D354 IonicContact NH1-OD1 3.05Å; R349-D354 IonicContact NH2-OD1 2.65Å; R349-D354 PolarHBondContact NH2-OD1 3.06Å; R349-D354 IonicContact NH2-OD2 3.87Å; R349-D354 PolarHBondContact NH2-OD2 3.4Å; I351-D354 PolarHBondContact O-N 3.29Å; I351-D354 VanDerWaalsContact O-N 3.11Å
355	W	88	Confident	89.7	Confident	27 Å²	27	54.5 Å²	54.5	10%	0.102	30%	0.3	C	S	.	.	S	Bend	trans	-107	100.2	-175.8	-63.8	84.1	0	0	0	110.5	I322 Y328 F330 Y335 I351 G357 L358 F375 Y384	I322-W355 HydrophobicContact CG2-CH2 4.06Å; Y328-W355 HydrophobicContact CD1-CZ2 4.27Å; Y328-W355 HydrophobicContact CD2-CH2 4.41Å; Y328-W355 HydrophobicContact CD2-CZ2 4.33Å; Y328-W355 HydrophobicContact CE1-CZ2 4.47Å; Y328-W355 HydrophobicContact CG-CZ2 4.17Å; F330-W355 HydrophobicContact CE1-CZ2 4.3Å; F330-W355 HydrophobicContact CZ-CH2 4.32Å; F330-W355 AromaticContact CZ-CZ2 3.79Å; F330-W355 HydrophobicContact CZ-CZ2 3.79Å; Y335-W355 AromaticContact CD1-NE1 3.81Å; Y335-W355 HydrophobicContact CD2-CZ2 4.42Å; Y335-W355 AromaticContact CD2-NE1 3.53Å; Y335-W355 AromaticContact CE1-CD1 3.84Å; Y335-W355 AromaticContact CE1-NE1 3.59Å; Y335-W355 HydrophobicContact CE2-CZ2 4.25Å; Y335-W355 AromaticContact CE2-NE1 3.26Å; Y335-W355 VanDerWaalsContact CE2-NE1 3.26Å; Y335-W355 AromaticContact CG-NE1 3.8Å; Y335-W355 AromaticContact CZ-CD1 3.93Å; Y335-W355 AromaticContact CZ-NE1 3.33Å; Y335-W355 VanDerWaalsContact CZ-NE1 3.33Å; I351-W355 HydrophobicContact CG2-CB 4Å; I351-W355 HydrophobicContact CG2-CG 4.23Å; I351-W355 WeakPolarHBondContact O-CB 3.34Å; I351-W355 PolarHBondContact O-N 3.19Å; W355-G357 PolarHBondContact O-N 2.5Å; W355-G357 VanDerWaalsContact O-N 3.11Å; W355-L358 HydrophobicContact CB-CB 3.58Å; W355-L358 HydrophobicContact CB-CD2 3.78Å; W355-L358 HydrophobicContact CB-CG 4.33Å; W355-L358 HydrophobicContact CD2-CD2 3.87Å; W355-L358 HydrophobicContact CE3-CD2 3.91Å; W355-L358 HydrophobicContact CG-CD2 3.84Å; W355-L358 PolarHBondContact O-N 3.32Å; W355-L358 VanDerWaalsContact O-N 3.16Å; W355-F375 HydrophobicContact CE3-CE2 4.07Å; W355-F375 HydrophobicContact CE3-CZ 4.21Å; W355-F375 HydrophobicContact CH2-CE2 4.29Å; W355-F375 AromaticContact CH2-CZ 3.82Å; W355-F375 HydrophobicContact CH2-CZ 3.82Å; W355-F375 AromaticContact CZ3-CE2 3.61Å; W355-F375 HydrophobicContact CZ3-CE2 3.61Å; W355-F375 AromaticContact CZ3-CZ 3.6Å; W355-F375 HydrophobicContact CZ3-CZ 3.6Å; W355-Y384 HydrophobicContact CE3-CE1 4.24Å
356	D	80.9	Confident	90.7	Very high	133 Å²	133	45.2 Å²	45.2	71%	0.711	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	116.2	-177.4	-174	27	0	0	0	111.8	L358 Y384	D356-L358 VanDerWaalsContact C-N 3.25Å; D356-L358 PolarHBondContact O-N 3.43Å; D356-Y384 PolarHBondContact O-OH 2.99Å
357	G	88.3	Confident	91.4	Very high	55 Å²	55	43.8 Å²	43.8	57%	0.567	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-2.5	178.6	0	0	0	0	0	116.6	W355 W382	W355-G357 PolarHBondContact O-N 2.5Å; W355-G357 VanDerWaalsContact O-N 3.11Å; G357-W382 PolarHBondContact O-NE1 2.89Å
358	L	94	Very high	91.7	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-78.5	130.5	-178.7	-165.9	65.7	0	0	0	110.9	I351 W355 D356 I362 F375 W382 Y384	I351-L358 HydrophobicContact CG2-CB 4.01Å; I351-L358 HydrophobicContact CG2-CD2 3.92Å; I351-L358 HydrophobicContact CG2-CG 4.04Å; W355-L358 HydrophobicContact CB-CB 3.58Å; W355-L358 HydrophobicContact CB-CD2 3.78Å; W355-L358 HydrophobicContact CB-CG 4.33Å; W355-L358 HydrophobicContact CD2-CD2 3.87Å; W355-L358 HydrophobicContact CE3-CD2 3.91Å; W355-L358 HydrophobicContact CG-CD2 3.84Å; W355-L358 PolarHBondContact O-N 3.32Å; W355-L358 VanDerWaalsContact O-N 3.16Å; D356-L358 VanDerWaalsContact C-N 3.25Å; D356-L358 PolarHBondContact O-N 3.43Å; L358-I362 HydrophobicContact CD1-CD1 4.38Å; L358-I362 HydrophobicContact CD2-CD1 3.58Å; L358-I362 HydrophobicContact CG-CD1 3.95Å; L358-F375 HydrophobicContact CD1-CB 3.52Å; L358-F375 HydrophobicContact CD1-CD1 4.47Å; L358-F375 HydrophobicContact CD1-CD2 3.83Å; L358-F375 HydrophobicContact CD1-CG 3.7Å; L358-F375 HydrophobicContact CD2-CD1 4.3Å; L358-F375 HydrophobicContact CD2-CD2 4.13Å; L358-F375 HydrophobicContact CD2-CE1 4.4Å; L358-F375 HydrophobicContact CD2-CE2 4.23Å; L358-F375 HydrophobicContact CD2-CG 4.15Å; L358-F375 HydrophobicContact CD2-CZ 4.37Å; L358-W382 HydrophobicContact CD1-CB 3.97Å; L358-W382 HydrophobicContact CD1-CD2 4.34Å; L358-W382 HydrophobicContact CD1-CG 3.99Å; L358-Y384 HydrophobicContact CD1-CE2 4.24Å
359	P	95.8	Very high	91.4	Very high	31 Å²	31	52 Å²	52	20%	0.201	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-79.2	161.8	179.7	33.7	-37.2	0	0	0	112.5	I362 K377 W382	P359-I362 WeakPolarHBondContact O-CG1 3.43Å; P359-K377 HydrophobicContact CB-CD 3.62Å; P359-K377 HydrophobicContact CG-CB 4.17Å; P359-K377 HydrophobicContact CG-CD 3.38Å; P359-K377 HydrophobicContact CG-CG 4.41Å; P359-W382 VanDerWaalsContact CD-CE2 3.48Å; P359-W382 HydrophobicContact CG-CE3 4.4Å; P359-W382 HydrophobicContact CG-CH2 3.63Å; P359-W382 HydrophobicContact CG-CZ2 3.67Å; P359-W382 HydrophobicContact CG-CZ3 4Å
360	D	96	Very high	91.5	Very high	47 Å²	47	53 Å²	53	25%	0.251	29%	0.286	S	S	.	.	S	Bend	trans	-72.6	164.6	169	-61.7	-14.2	0	0	0	111.5	K333 K377	K333-D360 HydrophobicContact CB-CB 4.05Å; K333-D360 VanDerWaalsContact CB-CG 3.48Å; K333-D360 VanDerWaalsContact CB-OD2 3.25Å; K333-D360 WeakPolarHBondContact CB-OD2 3.33Å; D360-K377 WeakPolarHBondContact O-CE 3.4Å; D360-K377 PolarHBondContact O-NZ 2.96Å
361	H	96.2	Very high	91.4	Very high	105 Å²	105	49.1 Å²	49.1	49%	0.486	28%	0.275	S	S	.	.	S	Bend	trans	54.1	63.6	179.1	-47.4	81.6	0	0	0	111	G332 K377	G332-H361 PolarHBondContact O-N 3.33Å; H361-K377 PolarHBondContact O-NZ 2.86Å
362	I	98	Very high	91.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	28%	0.282	C	S	.	.			trans	-73.8	130.2	-177.1	-58.1	173.2	0	0	0	108.7	D317 T318 F330 I351 L358 P359 A364 F375 F376	D317-I362 WeakPolarHBondContact CB-O 3.29Å; T318-I362 HydrophobicContact CG2-CB 4.15Å; T318-I362 HydrophobicContact CG2-CG2 3.82Å; F330-I362 HydrophobicContact CD1-CD1 3.57Å; F330-I362 HydrophobicContact CE1-CD1 3.82Å; F330-I362 HydrophobicContact CG-CD1 4.09Å; I351-I362 HydrophobicContact CD1-CD1 4.06Å; I351-I362 HydrophobicContact CD1-CG1 4.33Å; L358-I362 HydrophobicContact CD1-CD1 4.38Å; L358-I362 HydrophobicContact CD2-CD1 3.58Å; L358-I362 HydrophobicContact CG-CD1 3.95Å; P359-I362 WeakPolarHBondContact O-CG1 3.43Å; I362-A364 WeakPolarHBondContact CG2-O 3.48Å; I362-F375 HydrophobicContact CD1-CD1 4.02Å; I362-F375 HydrophobicContact CD1-CE1 4.45Å; I362-F375 HydrophobicContact CG2-CB 4.23Å; I362-F375 HydrophobicContact CG2-CD1 4.07Å; I362-F376 WeakPolarHBondContact CG2-O 3.42Å
363	D	98.3	Very high	91.8	Very high	37 Å²	37	47.7 Å²	47.7	20%	0.198	26%	0.259	C	S	.	.			trans	-77.3	-40.6	-174.2	-75.1	-3.9	0	0	0	112.5	F376 K377 E378 L409 D410	D363-F376 WeakPolarHBondContact CB-O 3.37Å; D363-F376 PolarHBondContact N-O 2.95Å; D363-K377 WeakPolarHBondContact OD2-CA 3.2Å; D363-E378 PolarHBondContact OD2-N 3.34Å; D363-L409 VanDerWaalsContact CB-O 3.28Å; D363-L409 WeakPolarHBondContact CB-O 3.33Å; D363-D410 CarbonylContact O-C 3.58Å
364	A	98.4	Very high	92.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	160.1	178.1	0	0	0	0	0	111.3	T318 I362 F376 L409 A412	T318-A364 WeakPolarHBondContact OG1-CA 3.39Å; I362-A364 WeakPolarHBondContact CG2-O 3.48Å; A364-F376 HydrophobicContact CB-CB 4.24Å; A364-F376 HydrophobicContact CB-CD2 4.29Å; A364-F376 PolarHBondContact N-O 3.37Å; A364-F376 PolarHBondContact O-N 3.38Å; A364-L409 HydrophobicContact CB-CB 3.86Å; A364-L409 HydrophobicContact CB-CD1 4.41Å; A364-A412 HydrophobicContact CB-CB 3.89Å
365	A	98	Very high	93	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.9	172.7	0	0	0	0	0	110.8	T318 T320 Y374 F375 A412	T318-A365 HydrophobicContact CG2-CB 3.73Å; T318-A365 PolarHBondContact OG1-N 3.21Å; T320-A365 HydrophobicContact CG2-CB 3.83Å; A365-Y374 CarbonylContact C-O 3.47Å; A365-Y374 VanDerWaalsContact CA-O 3.26Å; A365-Y374 WeakPolarHBondContact CA-O 3.16Å; A365-F375 HydrophobicContact CB-CD1 3.57Å; A365-F375 HydrophobicContact CB-CE1 3.79Å; A365-F375 HydrophobicContact CB-CG 4.49Å; A365-A412 VanDerWaalsContact O-O 3.08Å
366	V	96.8	Very high	93.5	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	147.8	173.7	52.1	0	0	0	0	109.7	Y374 F376 A412 I414 F421 F423	V366-Y374 PolarHBondContact N-O 3.21Å; V366-Y374 WeakPolarHBondContact O-CD2 3.29Å; V366-Y374 PolarHBondContact O-N 3.04Å; V366-F376 HydrophobicContact CG1-CE2 3.67Å; V366-F376 HydrophobicContact CG1-CZ 4.31Å; V366-A412 HydrophobicContact CB-CB 3.88Å; V366-A412 HydrophobicContact CG1-CB 3.74Å; V366-I414 HydrophobicContact CG2-CG1 3.81Å; V366-F421 HydrophobicContact CB-CD1 4.33Å; V366-F421 HydrophobicContact CB-CE1 4.39Å; V366-F421 HydrophobicContact CG1-CD1 3.68Å; V366-F421 HydrophobicContact CG1-CE1 3.73Å; V366-F421 HydrophobicContact CG2-CD1 3.66Å; V366-F421 HydrophobicContact CG2-CE1 3.77Å; V366-F423 HydrophobicContact CG1-CE1 4.47Å
367	T	93.4	Very high	94.3	Very high	27 Å²	27	35.9 Å²	35.9	17%	0.166	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.2	177.6	-61.9	0	0	0	0	110.2	T320 V321 N372 T373 I414	T320-T367 PolarHBondContact OG1-OG1 3.14Å; V321-T367 WeakPolarHBondContact O-CB 3.28Å; V321-T367 WeakPolarHBondContact O-CG2 3.29Å; V321-T367 PolarHBondContact O-OG1 3.11Å; T367-N372 CarbonylContact C-O 3.55Å; T367-N372 VanDerWaalsContact CA-O 3.29Å; T367-N372 WeakPolarHBondContact CA-O 3.08Å; T367-T373 WeakPolarHBondContact OG1-CB 3.3Å; T367-T373 WeakPolarHBondContact OG1-CG2 3.43Å; T367-T373 PolarHBondContact OG1-OG1 3Å; T367-I414 WeakPolarHBondContact O-CD1 3.07Å
368	D	90.8	Very high	94.7	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.134	19%	0.189	C	C	.	.			trans	-82.3	171.9	179	72.8	26.6	0	0	0	113.7	L370 G371 N372 Y374 I414 F421	D368-L370 PolarHBondContact O-N 2.92Å; D368-L370 VanDerWaalsContact O-N 3.14Å; D368-L370 VanDerWaalsContact OD1-CA 3.3Å; D368-L370 WeakPolarHBondContact OD1-CA 3.44Å; D368-L370 WeakPolarHBondContact OD1-CB 3.39Å; D368-L370 PolarHBondContact OD1-N 3.44Å; D368-G371 PolarHBondContact O-N 2.7Å; D368-G371 PolarHBondContact OD1-N 3.22Å; D368-G371 VanDerWaalsContact OD1-N 3.08Å; D368-N372 PolarHBondContact N-O 2.72Å; D368-N372 PolarHBondContact OD1-N 3.43Å; D368-N372 PolarHBondContact OD1-ND2 2.85Å; D368-N372 WeakPolarHBondContact OD2-CB 3.44Å; D368-N372 PolarHBondContact OD2-ND2 3.28Å; D368-Y374 HydrophobicContact CB-CE2 3.96Å; D368-Y374 WeakPolarHBondContact OD2-CE2 3.29Å; D368-Y374 PolarHBondContact OD2-OH 3.08Å; D368-I414 HydrophobicContact CB-CD1 4.27Å; D368-F421 HydrophobicContact CB-CZ 3.85Å
369	K	86.3	Confident	94.8	Very high	174 Å²	174	40.4 Å²	40.4	76%	0.757	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.5	178.2	65.8	-179.2	179.7	179.6	0	114.6	G371	K369-G371 VanDerWaalsContact C-N 3.34Å
370	L	87.1	Confident	94.9	Very high	125 Å²	125	42.5 Å²	42.5	65%	0.654	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.2	176	-58.7	177.1	0	0	0	111.4	D368	D368-L370 PolarHBondContact O-N 2.92Å; D368-L370 VanDerWaalsContact O-N 3.14Å; D368-L370 VanDerWaalsContact OD1-CA 3.3Å; D368-L370 WeakPolarHBondContact OD1-CA 3.44Å; D368-L370 WeakPolarHBondContact OD1-CB 3.39Å; D368-L370 PolarHBondContact OD1-N 3.44Å
371	G	85.9	Confident	95	Very high	12 Å²	12	40.9 Å²	40.9	12%	0.124	20%	0.199	C	C	.	.	S	Bend	trans	88.2	3	-178.8	0	0	0	0	0	114.2	G323 D368 K369 T373 A386	G323-G371 WeakPolarHBondContact CA-O 3.21Å; G323-G371 PolarHBondContact N-O 3.25Å; D368-G371 PolarHBondContact O-N 2.7Å; D368-G371 PolarHBondContact OD1-N 3.22Å; D368-G371 VanDerWaalsContact OD1-N 3.08Å; K369-G371 VanDerWaalsContact C-N 3.34Å; G371-T373 PolarHBondContact O-N 2.67Å; G371-A386 WeakPolarHBondContact O-CA 3.37Å
372	N	93.1	Very high	95	Very high	30 Å²	30	37 Å²	37	16%	0.16	18%	0.179	C	C	.	.			trans	-75	129.3	176.9	-50.1	-71.5	0	0	0	110	T367 D368 Y374 Y384	T367-N372 CarbonylContact C-O 3.55Å; T367-N372 VanDerWaalsContact CA-O 3.29Å; T367-N372 WeakPolarHBondContact CA-O 3.08Å; D368-N372 PolarHBondContact N-O 2.72Å; D368-N372 PolarHBondContact OD1-N 3.43Å; D368-N372 PolarHBondContact OD1-ND2 2.85Å; D368-N372 WeakPolarHBondContact OD2-CB 3.44Å; D368-N372 PolarHBondContact OD2-ND2 3.28Å; N372-Y374 HydrophobicContact CB-CE2 3.98Å; N372-Y374 WeakPolarHBondContact O-CD2 3.12Å; N372-Y374 VanDerWaalsContact O-CE2 3.23Å; N372-Y374 WeakPolarHBondContact O-CE2 3.49Å; N372-Y384 CarbonylContact C-O 3.46Å; N372-Y384 VanDerWaalsContact CA-O 3.25Å; N372-Y384 WeakPolarHBondContact CA-O 3.27Å
373	T	94.5	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.4	179.5	-57.4	0	0	0	0	110.6	T320 I322 T367 G371 F375 Q383 Y384	T320-T373 HydrophobicContact CG2-CG2 4.04Å; I322-T373 HydrophobicContact CG2-CG2 4.32Å; T367-T373 WeakPolarHBondContact OG1-CB 3.3Å; T367-T373 WeakPolarHBondContact OG1-CG2 3.43Å; T367-T373 PolarHBondContact OG1-OG1 3Å; G371-T373 PolarHBondContact O-N 2.67Å; T373-F375 HydrophobicContact CG2-CD2 4.03Å; T373-F375 HydrophobicContact CG2-CE1 4.31Å; T373-F375 HydrophobicContact CG2-CE2 3.49Å; T373-F375 VanDerWaalsContact CG2-CE2 3.49Å; T373-F375 HydrophobicContact CG2-CZ 3.65Å; T373-Q383 WeakPolarHBondContact O-CA 3.25Å; T373-Y384 PolarHBondContact N-O 3.42Å; T373-Y384 PolarHBondContact O-N 3.18Å
374	Y	96.6	Very high	94.6	Very high	29 Å²	29	37.3 Å²	37.3	11%	0.114	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120	178.1	-52.2	-95.5	0	0	0	108.4	A365 V366 D368 N372 F376 Y381 W382 Q383 F402 F421	A365-Y374 CarbonylContact C-O 3.47Å; A365-Y374 VanDerWaalsContact CA-O 3.26Å; A365-Y374 WeakPolarHBondContact CA-O 3.16Å; V366-Y374 PolarHBondContact N-O 3.21Å; V366-Y374 WeakPolarHBondContact O-CD2 3.29Å; V366-Y374 PolarHBondContact O-N 3.04Å; D368-Y374 HydrophobicContact CB-CE2 3.96Å; D368-Y374 WeakPolarHBondContact OD2-CE2 3.29Å; D368-Y374 PolarHBondContact OD2-OH 3.08Å; N372-Y374 HydrophobicContact CB-CE2 3.98Å; N372-Y374 WeakPolarHBondContact O-CD2 3.12Å; N372-Y374 VanDerWaalsContact O-CE2 3.23Å; N372-Y374 WeakPolarHBondContact O-CE2 3.49Å; Y374-F376 WeakPolarHBondContact O-CE2 3.21Å; Y374-Y381 HydrophobicContact CD1-CD2 4.01Å; Y374-Y381 AromaticContact CD1-CE2 3.99Å; Y374-Y381 HydrophobicContact CD1-CE2 3.99Å; Y374-Y381 HydrophobicContact CE1-CE2 4.44Å; Y374-W382 WeakPolarHBondContact CA-O 3.29Å; Y374-Q383 HydrophobicContact CD1-CB 4.39Å; Y374-Q383 HydrophobicContact CD1-CG 4.19Å; Y374-Q383 HydrophobicContact CE1-CG 3.9Å; Y374-F402 HydrophobicContact CD1-CZ 4.39Å; Y374-F421 HydrophobicContact CD2-CE1 4.13Å; Y374-F421 HydrophobicContact CD2-CZ 4.22Å; Y374-F421 HydrophobicContact CE2-CE1 4.29Å; Y374-F421 AromaticContact CE2-CZ 3.93Å; Y374-F421 HydrophobicContact CE2-CZ 3.93Å
375	F	97.8	Very high	94.1	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.6	171.1	-63.7	-83.2	0	0	0	109.2	T320 F330 W355 L358 I362 A365 T373 Y381 W382 Y384	T320-F375 HydrophobicContact CG2-CE1 4Å; T320-F375 HydrophobicContact CG2-CZ 4.18Å; F330-F375 HydrophobicContact CE1-CE1 4.41Å; F330-F375 AromaticContact CE2-CE1 3.77Å; F330-F375 HydrophobicContact CE2-CE1 3.77Å; F330-F375 HydrophobicContact CE2-CZ 4.41Å; F330-F375 AromaticContact CZ-CE1 3.65Å; F330-F375 HydrophobicContact CZ-CE1 3.65Å; F330-F375 HydrophobicContact CZ-CZ 4.01Å; W355-F375 HydrophobicContact CE3-CE2 4.07Å; W355-F375 HydrophobicContact CE3-CZ 4.21Å; W355-F375 HydrophobicContact CH2-CE2 4.29Å; W355-F375 AromaticContact CH2-CZ 3.82Å; W355-F375 HydrophobicContact CH2-CZ 3.82Å; W355-F375 AromaticContact CZ3-CE2 3.61Å; W355-F375 HydrophobicContact CZ3-CE2 3.61Å; W355-F375 AromaticContact CZ3-CZ 3.6Å; W355-F375 HydrophobicContact CZ3-CZ 3.6Å; L358-F375 HydrophobicContact CD1-CB 3.52Å; L358-F375 HydrophobicContact CD1-CD1 4.47Å; L358-F375 HydrophobicContact CD1-CD2 3.83Å; L358-F375 HydrophobicContact CD1-CG 3.7Å; L358-F375 HydrophobicContact CD2-CD1 4.3Å; L358-F375 HydrophobicContact CD2-CD2 4.13Å; L358-F375 HydrophobicContact CD2-CE1 4.4Å; L358-F375 HydrophobicContact CD2-CE2 4.23Å; L358-F375 HydrophobicContact CD2-CG 4.15Å; L358-F375 HydrophobicContact CD2-CZ 4.37Å; I362-F375 HydrophobicContact CD1-CD1 4.02Å; I362-F375 HydrophobicContact CD1-CE1 4.45Å; I362-F375 HydrophobicContact CG2-CB 4.23Å; I362-F375 HydrophobicContact CG2-CD1 4.07Å; A365-F375 HydrophobicContact CB-CD1 3.57Å; A365-F375 HydrophobicContact CB-CE1 3.79Å; A365-F375 HydrophobicContact CB-CG 4.49Å; T373-F375 HydrophobicContact CG2-CD2 4.03Å; T373-F375 HydrophobicContact CG2-CE1 4.31Å; T373-F375 HydrophobicContact CG2-CE2 3.49Å; T373-F375 VanDerWaalsContact CG2-CE2 3.49Å; T373-F375 HydrophobicContact CG2-CZ 3.65Å; F375-Y381 CarbonylContact O-C 3.51Å; F375-Y381 WeakPolarHBondContact O-CA 3.44Å; F375-Y381 WeakPolarHBondContact O-CB 3.26Å; F375-W382 HydrophobicContact CB-CB 4.45Å; F375-W382 PolarHBondContact N-O 2.75Å; F375-W382 PolarHBondContact O-N 3.33Å; F375-Y384 AromaticContact CD2-CD2 3.67Å; F375-Y384 HydrophobicContact CD2-CD2 3.67Å; F375-Y384 AromaticContact CD2-CE2 3.69Å; F375-Y384 HydrophobicContact CD2-CE2 3.69Å; F375-Y384 AromaticContact CE2-CD2 3.73Å; F375-Y384 HydrophobicContact CE2-CD2 3.73Å; F375-Y384 AromaticContact CE2-CE2 3.94Å; F375-Y384 HydrophobicContact CE2-CE2 3.94Å
376	F	98	Very high	93.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.8	-175.5	-60.7	-94.1	0	0	0	109.7	I362 D363 A364 V366 Y374 Y381 M398 F402 L409 F423	I362-F376 WeakPolarHBondContact CG2-O 3.42Å; D363-F376 WeakPolarHBondContact CB-O 3.37Å; D363-F376 PolarHBondContact N-O 2.95Å; A364-F376 HydrophobicContact CB-CB 4.24Å; A364-F376 HydrophobicContact CB-CD2 4.29Å; A364-F376 PolarHBondContact N-O 3.37Å; A364-F376 PolarHBondContact O-N 3.38Å; V366-F376 HydrophobicContact CG1-CE2 3.67Å; V366-F376 HydrophobicContact CG1-CZ 4.31Å; Y374-F376 WeakPolarHBondContact O-CE2 3.21Å; F376-Y381 HydrophobicContact CE1-CG 4.44Å; F376-M398 HydrophobicContact CD1-CE 3.76Å; F376-M398 HydrophobicContact CD1-CG 4.09Å; F376-M398 HydrophobicContact CD1-SD 3.85Å; F376-M398 HydrophobicContact CE1-CE 4.15Å; F376-M398 HydrophobicContact CE1-CG 4.49Å; F376-F402 AromaticContact CE1-CD2 3.84Å; F376-F402 HydrophobicContact CE1-CD2 3.84Å; F376-F402 AromaticContact CE1-CE2 3.56Å; F376-F402 HydrophobicContact CE1-CE2 3.56Å; F376-F402 HydrophobicContact CE1-CZ 4.04Å; F376-F402 HydrophobicContact CZ-CD2 4.45Å; F376-F402 HydrophobicContact CZ-CE1 4.47Å; F376-F402 AromaticContact CZ-CE2 3.82Å; F376-F402 HydrophobicContact CZ-CE2 3.82Å; F376-F402 AromaticContact CZ-CZ 3.82Å; F376-F402 HydrophobicContact CZ-CZ 3.82Å; F376-L409 HydrophobicContact CB-CD1 4.24Å; F376-L409 HydrophobicContact CD1-CD1 3.98Å; F376-L409 HydrophobicContact CD2-CD1 4.48Å; F376-L409 HydrophobicContact CE1-CD1 4.5Å; F376-L409 HydrophobicContact CG-CD1 3.96Å; F376-F423 HydrophobicContact CE1-CE1 4.28Å; F376-F423 HydrophobicContact CE2-CE1 4.19Å; F376-F423 AromaticContact CZ-CE1 3.86Å; F376-F423 HydrophobicContact CZ-CE1 3.86Å; F376-F423 HydrophobicContact CZ-CZ 4.18Å
377	K	98	Very high	92.6	Very high	38 Å²	38	48.4 Å²	48.4	17%	0.165	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	125.6	169.8	-174.4	-177.3	-179	75.1	0	109	P359 D360 H361 D363 D379 K380 W382	P359-K377 HydrophobicContact CB-CD 3.62Å; P359-K377 HydrophobicContact CG-CB 4.17Å; P359-K377 HydrophobicContact CG-CD 3.38Å; P359-K377 HydrophobicContact CG-CG 4.41Å; D360-K377 WeakPolarHBondContact O-CE 3.4Å; D360-K377 PolarHBondContact O-NZ 2.96Å; H361-K377 PolarHBondContact O-NZ 2.86Å; D363-K377 WeakPolarHBondContact OD2-CA 3.2Å; K377-D379 PolarHBondContact O-N 3.44Å; K377-K380 PolarHBondContact N-O 2.99Å; K377-K380 PolarHBondContact O-N 3.11Å; K377-K380 VanDerWaalsContact O-O 3.12Å; K377-W382 HydrophobicContact CB-CH2 4.2Å; K377-W382 HydrophobicContact CB-CZ3 3.74Å
378	E	96.2	Very high	91.9	Very high	98 Å²	98	48.8 Å²	48.8	46%	0.458	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-116.8	-178.7	-62.6	167.2	-160.7	0	0	111.6	D363 N408	D363-E378 PolarHBondContact OD2-N 3.34Å; E378-N408 WeakPolarHBondContact CA-OD1 3.15Å; E378-N408 PolarHBondContact O-N 3.05Å
379	D	96.2	Very high	91.6	Very high	60 Å²	60	54.7 Å²	54.7	32%	0.321	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	6.8	179.3	69.4	-27	0	0	0	113.3	K377 M398 E407	K377-D379 PolarHBondContact O-N 3.44Å; D379-M398 WeakPolarHBondContact O-CB 3.23Å; D379-M398 WeakPolarHBondContact O-CG 3.44Å; D379-M398 PolarHBondContact O-N 3.04Å; D379-E407 HydrophobicContact CB-CG 4.17Å
380	K	97.6	Very high	91.9	Very high	75 Å²	75	47.6 Å²	47.6	33%	0.326	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.2	-171.2	-74.2	164.3	-164.2	165.4	0	113	K377 W382 P395 K396	K377-K380 PolarHBondContact N-O 2.99Å; K377-K380 PolarHBondContact O-N 3.11Å; K377-K380 VanDerWaalsContact O-O 3.12Å; K380-W382 HydrophobicContact CB-CH2 3.78Å; K380-W382 HydrophobicContact CB-CZ3 3.66Å; K380-W382 HydrophobicContact CD-CH2 4.37Å; K380-P395 HydrophobicContact CB-CB 4.11Å; K380-P395 HydrophobicContact CD-CB 4.09Å; K380-P395 HydrophobicContact CD-CG 4.01Å; K380-P395 HydrophobicContact CG-CB 4.23Å; K380-K396 CarbonylContact C-O 3.57Å; K380-K396 VanDerWaalsContact CA-O 3.27Å; K380-K396 WeakPolarHBondContact CA-O 3.22Å
381	Y	97.2	Very high	92.2	Very high	14 Å²	14	42.9 Å²	42.9	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.8	167.8	77.4	-83.2	0	0	0	112.5	Y374 F375 F376 Q383 K396 M398 A401 F402	Y374-Y381 HydrophobicContact CD1-CD2 4.01Å; Y374-Y381 AromaticContact CD1-CE2 3.99Å; Y374-Y381 HydrophobicContact CD1-CE2 3.99Å; Y374-Y381 HydrophobicContact CE1-CE2 4.44Å; F375-Y381 CarbonylContact O-C 3.51Å; F375-Y381 WeakPolarHBondContact O-CA 3.44Å; F375-Y381 WeakPolarHBondContact O-CB 3.26Å; F376-Y381 HydrophobicContact CE1-CG 4.44Å; Y381-Q383 HydrophobicContact CE2-CB 4.33Å; Y381-K396 HydrophobicContact CD1-CB 3.84Å; Y381-K396 WeakPolarHBondContact CD1-O 3.19Å; Y381-K396 HydrophobicContact CE1-CB 3.33Å; Y381-K396 HydrophobicContact CE1-CD 4.22Å; Y381-K396 HydrophobicContact CE1-CG 4.41Å; Y381-K396 HydrophobicContact CE2-CB 4.11Å; Y381-K396 HydrophobicContact CE2-CD 3.71Å; Y381-K396 HydrophobicContact CE2-CG 4.47Å; Y381-K396 HydrophobicContact CG-CB 4.42Å; Y381-K396 VanDerWaalsContact CZ-CB 3.5Å; Y381-K396 VanDerWaalsContact CZ-CD 3.46Å; Y381-K396 PolarHBondContact N-O 3.38Å; Y381-K396 PolarHBondContact O-N 2.87Å; Y381-K396 WeakPolarHBondContact OH-CD 3.24Å; Y381-M398 HydrophobicContact CD1-CG 4.29Å; Y381-A401 HydrophobicContact CE1-CB 4.03Å; Y381-A401 WeakPolarHBondContact OH-CB 3.35Å; Y381-F402 HydrophobicContact CD1-CD2 4.35Å; Y381-F402 HydrophobicContact CD1-CE2 4.09Å; Y381-F402 HydrophobicContact CD2-CE2 4.32Å; Y381-F402 HydrophobicContact CE1-CD2 4.41Å; Y381-F402 HydrophobicContact CE1-CE2 4.13Å; Y381-F402 HydrophobicContact CE2-CE2 4.35Å; Y381-F402 HydrophobicContact CG-CE2 4.18Å
382	W	97.6	Very high	92.5	Very high	22 Å²	22	47.9 Å²	47.9	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.1	174.6	-69.5	-113.5	0	0	0	108	G357 L358 P359 Y374 F375 K377 K380 Y384 N394 P395	G357-W382 PolarHBondContact O-NE1 2.89Å; L358-W382 HydrophobicContact CD1-CB 3.97Å; L358-W382 HydrophobicContact CD1-CD2 4.34Å; L358-W382 HydrophobicContact CD1-CG 3.99Å; P359-W382 VanDerWaalsContact CD-CE2 3.48Å; P359-W382 HydrophobicContact CG-CE3 4.4Å; P359-W382 HydrophobicContact CG-CH2 3.63Å; P359-W382 HydrophobicContact CG-CZ2 3.67Å; P359-W382 HydrophobicContact CG-CZ3 4Å; Y374-W382 WeakPolarHBondContact CA-O 3.29Å; F375-W382 HydrophobicContact CB-CB 4.45Å; F375-W382 PolarHBondContact N-O 2.75Å; F375-W382 PolarHBondContact O-N 3.33Å; K377-W382 HydrophobicContact CB-CH2 4.2Å; K377-W382 HydrophobicContact CB-CZ3 3.74Å; K380-W382 HydrophobicContact CB-CH2 3.78Å; K380-W382 HydrophobicContact CB-CZ3 3.66Å; K380-W382 HydrophobicContact CD-CH2 4.37Å; W382-Y384 HydrophobicContact CB-CE2 3.99Å; W382-N394 HydrophobicContact CG-CB 4.44Å; W382-P395 HydrophobicContact CD2-CB 4.04Å; W382-P395 HydrophobicContact CE3-CB 4.47Å; W382-P395 HydrophobicContact CH2-CB 4.03Å; W382-P395 HydrophobicContact CZ2-CB 3.62Å; W382-P395 HydrophobicContact CZ2-CG 4.06Å; W382-P395 HydrophobicContact CZ3-CB 4.44Å
383	Q	95.7	Very high	92.6	Very high	41 Å²	41	51.4 Å²	51.4	19%	0.192	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.6	177.9	-175.2	-177.9	-10.5	0	0	110.4	T373 Y374 Y381 A391 N394	T373-Q383 WeakPolarHBondContact O-CA 3.25Å; Y374-Q383 HydrophobicContact CD1-CB 4.39Å; Y374-Q383 HydrophobicContact CD1-CG 4.19Å; Y374-Q383 HydrophobicContact CE1-CG 3.9Å; Y381-Q383 HydrophobicContact CE2-CB 4.33Å; Q383-A391 HydrophobicContact CB-CB 4.24Å; Q383-A391 WeakPolarHBondContact O-CB 3.43Å; Q383-A391 PolarHBondContact O-N 2.92Å; Q383-N394 PolarHBondContact N-ND2 2.77Å; Q383-N394 PolarHBondContact N-OD1 3.46Å; Q383-N394 PolarHBondContact O-ND2 3.1Å
384	Y	91.5	Very high	92.6	Very high	7 Å²	7	53 Å²	53	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.2	169.5	-64.7	-102.5	0	0	0	108.5	W355 D356 L358 N372 T373 F375 W382 G388 K389 A390	W355-Y384 HydrophobicContact CE3-CE1 4.24Å; D356-Y384 PolarHBondContact O-OH 2.99Å; L358-Y384 HydrophobicContact CD1-CE2 4.24Å; N372-Y384 CarbonylContact C-O 3.46Å; N372-Y384 VanDerWaalsContact CA-O 3.25Å; N372-Y384 WeakPolarHBondContact CA-O 3.27Å; T373-Y384 PolarHBondContact N-O 3.42Å; T373-Y384 PolarHBondContact O-N 3.18Å; F375-Y384 AromaticContact CD2-CD2 3.67Å; F375-Y384 HydrophobicContact CD2-CD2 3.67Å; F375-Y384 AromaticContact CD2-CE2 3.69Å; F375-Y384 HydrophobicContact CD2-CE2 3.69Å; F375-Y384 AromaticContact CE2-CD2 3.73Å; F375-Y384 HydrophobicContact CE2-CD2 3.73Å; F375-Y384 AromaticContact CE2-CE2 3.94Å; F375-Y384 HydrophobicContact CE2-CE2 3.94Å; W382-Y384 HydrophobicContact CB-CE2 3.99Å; Y384-G388 WeakPolarHBondContact CD1-O 3.46Å; Y384-K389 VanDerWaalsContact CA-O 3.29Å; Y384-K389 WeakPolarHBondContact CA-O 3.42Å; Y384-A390 HydrophobicContact CD1-CB 3.99Å; Y384-A390 HydrophobicContact CE1-CB 3.56Å
385	D	88.6	Confident	92.6	Very high	50 Å²	50	54.5 Å²	54.5	27%	0.267	31%	0.305	S	S	.	.			trans	-75.1	179.2	174.1	62	21.5	0	0	0	112.1	E387 G388 K389	D385-E387 PolarHBondContact O-N 3.03Å; D385-E387 PolarHBondContact OD1-N 3.13Å; D385-G388 PolarHBondContact O-N 3.22Å; D385-G388 PolarHBondContact OD1-N 2.68Å; D385-G388 VanDerWaalsContact OD1-N 3.13Å; D385-K389 PolarHBondContact N-O 3.47Å; D385-K389 WeakPolarHBondContact OD1-CB 3.1Å; D385-K389 PolarHBondContact OD1-N 2.89Å; D385-K389 WeakPolarHBondContact OD2-CB 3.14Å
386	A	84.5	Confident	92.5	Very high	28 Å²	28	56 Å²	56	23%	0.231	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.6	-177.7	0	0	0	0	0	113.2	G323 G371 G388	G323-A386 CarbonylContact C-O 3.54Å; G323-A386 WeakPolarHBondContact CA-O 3.33Å; G371-A386 WeakPolarHBondContact O-CA 3.37Å; A386-G388 VanDerWaalsContact C-N 3.27Å
387	E	77.9	Confident	92.4	Very high	159 Å²	159	60.2 Å²	60.2	74%	0.743	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.8	175.2	-63.5	71.5	-149.8	0	0	112.9	D385	D385-E387 PolarHBondContact O-N 3.03Å; D385-E387 PolarHBondContact OD1-N 3.13Å
388	G	79	Confident	92.2	Very high	36 Å²	36	58.7 Å²	58.7	37%	0.371	33%	0.328	S	S	.	.			trans	83.8	17.7	179.6	0	0	0	0	0	114	Y384 D385 A386	Y384-G388 WeakPolarHBondContact CD1-O 3.46Å; D385-G388 PolarHBondContact O-N 3.22Å; D385-G388 PolarHBondContact OD1-N 2.68Å; D385-G388 VanDerWaalsContact OD1-N 3.13Å; A386-G388 VanDerWaalsContact C-N 3.27Å
389	K	85.6	Confident	91.8	Very high	149 Å²	149	58.1 Å²	58.1	65%	0.648	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-87.3	132.2	176.9	-178.2	-175.8	178.7	-178.5	0	110.7	Y384 D385	Y384-K389 VanDerWaalsContact CA-O 3.29Å; Y384-K389 WeakPolarHBondContact CA-O 3.42Å; D385-K389 PolarHBondContact N-O 3.47Å; D385-K389 WeakPolarHBondContact OD1-CB 3.1Å; D385-K389 PolarHBondContact OD1-N 2.89Å; D385-K389 WeakPolarHBondContact OD2-CB 3.14Å
390	A	90.6	Very high	91.4	Very high	25 Å²	25	59.4 Å²	59.4	21%	0.207	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-64.8	136.6	176.4	0	0	0	0	0	111.6	Y384 A392	Y384-A390 HydrophobicContact CD1-CB 3.99Å; Y384-A390 HydrophobicContact CE1-CB 3.56Å; A390-A392 PolarHBondContact O-N 3.23Å
391	A	93.7	Very high	90.9	Very high	26 Å²	26	57.6 Å²	57.6	22%	0.215	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-64.8	133.9	170	0	0	0	0	0	110.8	Q383 N393 N394	Q383-A391 HydrophobicContact CB-CB 4.24Å; Q383-A391 WeakPolarHBondContact O-CB 3.43Å; Q383-A391 PolarHBondContact O-N 2.92Å; A391-N393 PolarHBondContact O-N 3.09Å; A391-N394 PolarHBondContact N-ND2 3.17Å; A391-N394 WeakPolarHBondContact O-CB 3.09Å; A391-N394 VanDerWaalsContact O-CG 3.26Å; A391-N394 PolarHBondContact O-N 3.49Å; A391-N394 PolarHBondContact O-ND2 2.78Å
392	A	93.5	Very high	90.5	Very high	116 Å²	116	57.3 Å²	57.3	96%	0.959	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.9	-174.8	0	0	0	0	0	114.6	A390	A390-A392 PolarHBondContact O-N 3.23Å
393	N	94.1	Very high	89.8	Confident	104 Å²	104	60 Å²	60	56%	0.556	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	22.5	178.7	66	-28.2	0	0	0	113.2	A391 P395 K396	A391-N393 PolarHBondContact O-N 3.09Å; N393-P395 CarbonylContact O-C 3.34Å; N393-K396 VanDerWaalsContact CG-CE 3.43Å; N393-K396 WeakPolarHBondContact ND2-CE 3.37Å; N393-K396 WeakPolarHBondContact OD1-CE 3.33Å; N393-K396 PolarHBondContact OD1-NZ 3Å
394	N	94.9	Very high	89.2	Confident	34 Å²	34	63.7 Å²	63.7	18%	0.182	39%	0.388	C	S	.	.			trans	-70.9	149.1	169.3	-75	-18.3	0	0	0	111.3	W382 Q383 A391	W382-N394 HydrophobicContact CG-CB 4.44Å; Q383-N394 PolarHBondContact N-ND2 2.77Å; Q383-N394 PolarHBondContact N-OD1 3.46Å; Q383-N394 PolarHBondContact O-ND2 3.1Å; A391-N394 PolarHBondContact N-ND2 3.17Å; A391-N394 WeakPolarHBondContact O-CB 3.09Å; A391-N394 VanDerWaalsContact O-CG 3.26Å; A391-N394 PolarHBondContact O-N 3.49Å; A391-N394 PolarHBondContact O-ND2 2.78Å
395	P	97	Very high	89	Confident	60 Å²	60	64.2 Å²	64.2	39%	0.39	39%	0.391	S	S	.	.	S	Bend	cis	-73.9	159.2	-14.3	29.6	-32.8	0	0	0	112.6	K380 W382 N393	K380-P395 HydrophobicContact CB-CB 4.11Å; K380-P395 HydrophobicContact CD-CB 4.09Å; K380-P395 HydrophobicContact CD-CG 4.01Å; K380-P395 HydrophobicContact CG-CB 4.23Å; W382-P395 HydrophobicContact CD2-CB 4.04Å; W382-P395 HydrophobicContact CE3-CB 4.47Å; W382-P395 HydrophobicContact CH2-CB 4.03Å; W382-P395 HydrophobicContact CZ2-CB 3.62Å; W382-P395 HydrophobicContact CZ2-CG 4.06Å; W382-P395 HydrophobicContact CZ3-CB 4.44Å; N393-P395 CarbonylContact O-C 3.34Å
396	K	96.1	Very high	89.2	Confident	34 Å²	34	63.4 Å²	63.4	15%	0.148	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.4	174.8	-61.4	173	-168.9	-176.3	0	110.1	K380 Y381 N393	K380-K396 CarbonylContact C-O 3.57Å; K380-K396 VanDerWaalsContact CA-O 3.27Å; K380-K396 WeakPolarHBondContact CA-O 3.22Å; Y381-K396 HydrophobicContact CD1-CB 3.84Å; Y381-K396 WeakPolarHBondContact CD1-O 3.19Å; Y381-K396 HydrophobicContact CE1-CB 3.33Å; Y381-K396 HydrophobicContact CE1-CD 4.22Å; Y381-K396 HydrophobicContact CE1-CG 4.41Å; Y381-K396 HydrophobicContact CE2-CB 4.11Å; Y381-K396 HydrophobicContact CE2-CD 3.71Å; Y381-K396 HydrophobicContact CE2-CG 4.47Å; Y381-K396 HydrophobicContact CG-CB 4.42Å; Y381-K396 VanDerWaalsContact CZ-CB 3.5Å; Y381-K396 VanDerWaalsContact CZ-CD 3.46Å; Y381-K396 PolarHBondContact N-O 3.38Å; Y381-K396 PolarHBondContact O-N 2.87Å; Y381-K396 WeakPolarHBondContact OH-CD 3.24Å; N393-K396 VanDerWaalsContact CG-CE 3.43Å; N393-K396 WeakPolarHBondContact ND2-CE 3.37Å; N393-K396 WeakPolarHBondContact OD1-CE 3.33Å; N393-K396 PolarHBondContact OD1-NZ 3Å
397	N	95.9	Very high	89.6	Confident	89 Å²	89	67.3 Å²	67.3	48%	0.476	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.9	175.5	-66.8	-16.5	0	0	0	110.5	S399 S400	N397-S399 PolarHBondContact O-N 2.97Å; N397-S400 WeakPolarHBondContact O-CB 3.43Å; N397-S400 PolarHBondContact O-N 2.97Å; N397-S400 VanDerWaalsContact O-N 3.11Å; N397-S400 PolarHBondContact O-OG 3.05Å
398	M	92.2	Very high	90.4	Very high	5 Å²	5	63 Å²	63	3%	0.025	38%	0.384	C	S	.	.	H	α-helix	trans	-56.1	-39	179	-75.9	-176.6	65.4	0	0	112.4	F376 D379 Y381 S400 A401 F402 T405 L409	F376-M398 HydrophobicContact CD1-CE 3.76Å; F376-M398 HydrophobicContact CD1-CG 4.09Å; F376-M398 HydrophobicContact CD1-SD 3.85Å; F376-M398 HydrophobicContact CE1-CE 4.15Å; F376-M398 HydrophobicContact CE1-CG 4.49Å; D379-M398 WeakPolarHBondContact O-CB 3.23Å; D379-M398 WeakPolarHBondContact O-CG 3.44Å; D379-M398 PolarHBondContact O-N 3.04Å; Y381-M398 HydrophobicContact CD1-CG 4.29Å; M398-S400 PolarHBondContact O-N 3.42Å; M398-A401 PolarHBondContact O-N 3.32Å; M398-A401 VanDerWaalsContact O-N 3.11Å; M398-F402 CarbonylContact O-C 3.4Å; M398-F402 WeakPolarHBondContact O-CA 3.41Å; M398-F402 WeakPolarHBondContact O-CB 3.38Å; M398-F402 PolarHBondContact O-N 2.94Å; M398-T405 HydrophobicContact CE-CG2 4.02Å; M398-L409 HydrophobicContact CE-CD1 3.77Å; M398-L409 HydrophobicContact CE-CG 4.11Å
399	S	89.1	Confident	91.3	Very high	87 Å²	87	61.4 Å²	61.4	61%	0.608	37%	0.367	S	S	*	.	H	α-helix	trans	-57.5	-20.8	-179.9	56.7	0	0	0	0	114.7	N397	N397-S399 PolarHBondContact O-N 2.97Å
400	S	87.5	Confident	91.9	Very high	86 Å²	86	55.5 Å²	55.5	60%	0.601	34%	0.343	S	S	*	.	H	α-helix	trans	-77.1	-34.4	178.6	67.7	0	0	0	0	113.8	N397 M398	N397-S400 WeakPolarHBondContact O-CB 3.43Å; N397-S400 PolarHBondContact O-N 2.97Å; N397-S400 VanDerWaalsContact O-N 3.11Å; N397-S400 PolarHBondContact O-OG 3.05Å; M398-S400 PolarHBondContact O-N 3.42Å
401	A	87.8	Confident	92.3	Very high	37 Å²	37	54.3 Å²	54.3	31%	0.306	33%	0.333	S	S	.	.	H	α-helix	trans	-112.8	-22.3	-176.8	0	0	0	0	0	113.1	Y381 M398 H432	Y381-A401 HydrophobicContact CE1-CB 4.03Å; Y381-A401 WeakPolarHBondContact OH-CB 3.35Å; M398-A401 PolarHBondContact O-N 3.32Å; M398-A401 VanDerWaalsContact O-N 3.11Å; A401-H432 PolarHBondContact O-CE1 3.26Å; A401-H432 VanDerWaalsContact O-CE1 3.26Å
402	F	88.8	Confident	92.5	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.039	32%	0.323	C	S	.	.			trans	-133.3	56.3	-173.3	-50.1	-76.6	0	0	0	111.4	Y374 F376 Y381 M398 D404 T405 F423 H432	Y374-F402 HydrophobicContact CD1-CZ 4.39Å; F376-F402 AromaticContact CE1-CD2 3.84Å; F376-F402 HydrophobicContact CE1-CD2 3.84Å; F376-F402 AromaticContact CE1-CE2 3.56Å; F376-F402 HydrophobicContact CE1-CE2 3.56Å; F376-F402 HydrophobicContact CE1-CZ 4.04Å; F376-F402 HydrophobicContact CZ-CD2 4.45Å; F376-F402 HydrophobicContact CZ-CE1 4.47Å; F376-F402 AromaticContact CZ-CE2 3.82Å; F376-F402 HydrophobicContact CZ-CE2 3.82Å; F376-F402 AromaticContact CZ-CZ 3.82Å; F376-F402 HydrophobicContact CZ-CZ 3.82Å; Y381-F402 HydrophobicContact CD1-CD2 4.35Å; Y381-F402 HydrophobicContact CD1-CE2 4.09Å; Y381-F402 HydrophobicContact CD2-CE2 4.32Å; Y381-F402 HydrophobicContact CE1-CD2 4.41Å; Y381-F402 HydrophobicContact CE1-CE2 4.13Å; Y381-F402 HydrophobicContact CE2-CE2 4.35Å; Y381-F402 HydrophobicContact CG-CE2 4.18Å; M398-F402 CarbonylContact O-C 3.4Å; M398-F402 WeakPolarHBondContact O-CA 3.41Å; M398-F402 WeakPolarHBondContact O-CB 3.38Å; M398-F402 PolarHBondContact O-N 2.94Å; F402-D404 VanDerWaalsContact C-N 3.3Å; F402-D404 PolarHBondContact O-N 3.46Å; F402-T405 WeakPolarHBondContact O-CB 3.11Å; F402-T405 PolarHBondContact O-N 3.15Å; F402-T405 VanDerWaalsContact O-N 3.14Å; F402-F423 AromaticContact CD1-CE2 3.85Å; F402-F423 HydrophobicContact CD1-CE2 3.85Å; F402-F423 AromaticContact CD1-CZ 3.68Å; F402-F423 HydrophobicContact CD1-CZ 3.68Å; F402-F423 HydrophobicContact CE1-CE2 4.35Å; F402-F423 AromaticContact CE1-CZ 3.8Å; F402-F423 HydrophobicContact CE1-CZ 3.8Å; F402-F423 HydrophobicContact CG-CZ 4.36Å; F402-H432 AromaticContact CD1-CE1 3.91Å; F402-H432 AromaticContact CD1-ND1 3.86Å
403	P	83.1	Confident	92.6	Very high	78 Å²	78	47.6 Å²	47.6	51%	0.506	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.1	-169.1	24.1	-35.2	0	0	0	115.1
404	D	82.6	Confident	92.6	Very high	119 Å²	119	43.1 Å²	43.1	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	18.7	-178.8	-60.5	-53.8	0	0	0	113.2	F402	F402-D404 VanDerWaalsContact C-N 3.3Å; F402-D404 PolarHBondContact O-N 3.46Å
405	T	87.7	Confident	92.4	Very high	17 Å²	17	41.5 Å²	41.5	10%	0.104	25%	0.245	C	C	.	.	S	Bend	trans	-108.9	133.2	-177.6	-56.9	0	0	0	0	109.9	M398 F402 L409 F423	M398-T405 HydrophobicContact CE-CG2 4.02Å; F402-T405 WeakPolarHBondContact O-CB 3.11Å; F402-T405 PolarHBondContact O-N 3.15Å; F402-T405 VanDerWaalsContact O-N 3.14Å; T405-L409 HydrophobicContact CG2-CD1 4.34Å; T405-L409 HydrophobicContact CG2-CD2 3.97Å; T405-F423 HydrophobicContact CG2-CB 3.93Å; T405-F423 HydrophobicContact CG2-CD1 4.28Å; T405-F423 HydrophobicContact CG2-CD2 3.32Å; T405-F423 HydrophobicContact CG2-CE2 3.76Å; T405-F423 HydrophobicContact CG2-CG 3.59Å; T405-F423 HydrophobicContact CG2-CZ 4.43Å
406	P	90.8	Very high	92	Very high	34 Å²	34	39.8 Å²	39.8	22%	0.221	24%	0.236	C	C	.	.			trans	-65	150.7	176.5	28.3	-35.5	0	0	0	111.7	L409 K425 W430	P406-L409 HydrophobicContact CG-CD2 4.05Å; P406-L409 WeakPolarHBondContact O-CD2 3.13Å; P406-K425 HydrophobicContact CG-CB 4.03Å; P406-K425 HydrophobicContact CG-CG 4.45Å; P406-W430 HydrophobicContact CB-CZ2 4.5Å; P406-W430 HydrophobicContact CG-CD2 3.91Å; P406-W430 HydrophobicContact CG-CE3 3.81Å; P406-W430 HydrophobicContact CG-CH2 3.84Å; P406-W430 HydrophobicContact CG-CZ2 3.87Å; P406-W430 HydrophobicContact CG-CZ3 3.83Å
407	E	93.2	Very high	91.5	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.514	25%	0.25	S	S	.	.	S	Bend	trans	-74.6	166.9	170.6	-61.7	170.6	-174.2	0	0	111.4	D379	D379-E407 HydrophobicContact CB-CG 4.17Å
408	N	96	Very high	91.2	Very high	67 Å²	67	41.5 Å²	41.5	36%	0.358	24%	0.239	S	C	.	.	S	Bend	trans	56.4	50.8	177.8	-56.4	-88.9	0	0	0	112.4	E378 K425	E378-N408 WeakPolarHBondContact CA-OD1 3.15Å; E378-N408 PolarHBondContact O-N 3.05Å; N408-K425 WeakPolarHBondContact O-CD 3.15Å; N408-K425 WeakPolarHBondContact O-CE 3.39Å; N408-K425 PolarHBondContact O-NZ 3.42Å
409	L	97.8	Very high	91	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	26%	0.261	C	S	.	.			trans	-54.7	154.4	-175.4	-64.4	174.5	0	0	0	112.7	D363 A364 F376 M398 T405 P406 F423	D363-L409 VanDerWaalsContact CB-O 3.28Å; D363-L409 WeakPolarHBondContact CB-O 3.33Å; A364-L409 HydrophobicContact CB-CB 3.86Å; A364-L409 HydrophobicContact CB-CD1 4.41Å; F376-L409 HydrophobicContact CB-CD1 4.24Å; F376-L409 HydrophobicContact CD1-CD1 3.98Å; F376-L409 HydrophobicContact CD2-CD1 4.48Å; F376-L409 HydrophobicContact CE1-CD1 4.5Å; F376-L409 HydrophobicContact CG-CD1 3.96Å; M398-L409 HydrophobicContact CE-CD1 3.77Å; M398-L409 HydrophobicContact CE-CG 4.11Å; T405-L409 HydrophobicContact CG2-CD1 4.34Å; T405-L409 HydrophobicContact CG2-CD2 3.97Å; P406-L409 HydrophobicContact CG-CD2 4.05Å; P406-L409 WeakPolarHBondContact O-CD2 3.13Å; L409-F423 HydrophobicContact CD1-CB 4.38Å; L409-F423 HydrophobicContact CD1-CD1 3.45Å; L409-F423 VanDerWaalsContact CD1-CD1 3.45Å; L409-F423 HydrophobicContact CD1-CE1 3.91Å; L409-F423 HydrophobicContact CD1-CG 4.12Å; L409-F423 HydrophobicContact CD2-CB 3.86Å; L409-F423 HydrophobicContact CD2-CD1 4.48Å; L409-F423 HydrophobicContact CD2-CG 4.4Å
410	D	98.3	Very high	91	Very high	26 Å²	26	46 Å²	46	14%	0.139	25%	0.246	C	C	.	.	S	Bend	trans	-98.8	-26.3	169.5	-63.4	-62.9	0	0	0	111.7	D363 F424 K425 G426 K455 I456 D457	D363-D410 CarbonylContact O-C 3.58Å; D410-F424 PolarHBondContact N-O 3.1Å; D410-K425 VanDerWaalsContact OD2-CA 3.27Å; D410-K425 WeakPolarHBondContact OD2-CA 3.42Å; D410-G426 PolarHBondContact OD2-N 3.21Å; D410-K455 HydrophobicContact CB-CD 4.23Å; D410-K455 WeakPolarHBondContact OD1-CD 3.36Å; D410-K455 IonicContact OD1-NZ 2.73Å; D410-I456 WeakPolarHBondContact CB-O 3.32Å; D410-D457 CarbonylContact O-C 3.57Å
411	A	98.4	Very high	91.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	163	173.8	0	0	0	0	0	111.6	F424 I456 A459	A411-F424 HydrophobicContact CB-CB 4.04Å; A411-F424 HydrophobicContact CB-CD2 3.94Å; A411-F424 HydrophobicContact CB-CG 4.28Å; A411-F424 PolarHBondContact N-O 3.41Å; A411-F424 PolarHBondContact O-N 2.88Å; A411-I456 HydrophobicContact CB-CG2 3.84Å; A411-A459 HydrophobicContact CB-CB 3.97Å
412	A	97.9	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.9	174.1	0	0	0	0	0	110.6	A364 A365 V366 Y422 F423 A459	A364-A412 HydrophobicContact CB-CB 3.89Å; A365-A412 VanDerWaalsContact O-O 3.08Å; V366-A412 HydrophobicContact CB-CB 3.88Å; V366-A412 HydrophobicContact CG1-CB 3.74Å; A412-Y422 CarbonylContact C-O 3.45Å; A412-Y422 VanDerWaalsContact CA-O 3.28Å; A412-Y422 WeakPolarHBondContact CA-O 3.22Å; A412-F423 HydrophobicContact CB-CD1 3.61Å; A412-F423 HydrophobicContact CB-CE1 3.82Å; A412-A459 CarbonylContact O-C 3.58Å
413	M	96.3	Very high	92	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.2	170.1	68.4	174.1	172.2	0	0	111.1	W415 F421 Y422 F424 A459 N467 L478 M484	M413-W415 HydrophobicContact CE-CE3 3.73Å; M413-W415 HydrophobicContact CE-CZ3 4.07Å; M413-W415 HydrophobicContact SD-CE3 4.35Å; M413-F421 CarbonylContact O-C 3.57Å; M413-Y422 PolarHBondContact N-O 3.08Å; M413-Y422 PolarHBondContact O-N 2.83Å; M413-F424 HydrophobicContact CE-CE2 4.06Å; M413-F424 HydrophobicContact CE-CZ 3.68Å; M413-F424 HydrophobicContact CG-CE2 4.1Å; M413-A459 HydrophobicContact CB-CB 4.03Å; M413-A459 HydrophobicContact CG-CB 4.17Å; M413-A459 HydrophobicContact SD-CB 4.12Å; M413-N467 HydrophobicContact SD-CB 4.14Å; M413-L478 HydrophobicContact CE-CD1 3.68Å; M413-L478 HydrophobicContact SD-CD1 4.34Å; M413-M484 HydrophobicContact CE-CE 3.53Å; M413-M484 HydrophobicContact CE-SD 3.91Å
414	I	93.1	Very high	92.7	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.046	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.6	160.6	-75.8	-167.7	0	0	0	109.3	V366 T367 D368 A416 Q419 R420 F421 T461 N467	V366-I414 HydrophobicContact CG2-CG1 3.81Å; T367-I414 WeakPolarHBondContact O-CD1 3.07Å; D368-I414 HydrophobicContact CB-CD1 4.27Å; I414-A416 PolarHBondContact O-N 3Å; I414-Q419 HydrophobicContact CG2-CB 4.47Å; I414-R420 CarbonylContact C-O 3.56Å; I414-R420 VanDerWaalsContact CA-O 3.27Å; I414-R420 WeakPolarHBondContact CA-O 3.43Å; I414-F421 HydrophobicContact CD1-CE1 4.3Å; I414-F421 HydrophobicContact CD1-CZ 4.46Å; I414-F421 HydrophobicContact CG1-CD1 4.06Å; I414-F421 HydrophobicContact CG1-CE1 4.27Å; I414-F421 HydrophobicContact CG1-CG 4.46Å; I414-T461 PolarHBondContact O-OG1 3.44Å; I414-N467 PolarHBondContact O-ND2 3.23Å
415	W	92	Very high	93.4	Very high	1 Å²	1	36 Å²	36	0%	0.004	17%	0.171	C	C	.	.			trans	-80.7	123.6	174.2	-171.9	-133.9	0	0	0	111.3	M413 Y417 D418 Q419 R420 Y422 N467 L478 S479 W481 M484	M413-W415 HydrophobicContact CE-CE3 3.73Å; M413-W415 HydrophobicContact CE-CZ3 4.07Å; M413-W415 HydrophobicContact SD-CE3 4.35Å; W415-Y417 PolarHBondContact O-N 3.45Å; W415-Y417 VanDerWaalsContact O-N 3.09Å; W415-D418 PolarHBondContact O-N 3.28Å; W415-Q419 VanDerWaalsContact O-CA 3.29Å; W415-Q419 WeakPolarHBondContact O-CA 3.49Å; W415-Q419 PolarHBondContact O-N 3.41Å; W415-R420 PolarHBondContact N-O 3.49Å; W415-Y422 HydrophobicContact CB-CD2 3.46Å; W415-Y422 VanDerWaalsContact CB-CD2 3.46Å; W415-Y422 HydrophobicContact CB-CE2 3.3Å; W415-Y422 HydrophobicContact CB-CG 4.45Å; W415-Y422 HydrophobicContact CG-CD2 4.44Å; W415-Y422 HydrophobicContact CG-CE2 4.02Å; W415-N467 HydrophobicContact CE3-CB 3.9Å; W415-N467 HydrophobicContact CH2-CB 4.48Å; W415-N467 HydrophobicContact CZ3-CB 3.44Å; W415-N467 VanDerWaalsContact CZ3-CB 3.44Å; W415-N467 VanDerWaalsContact CZ3-CG 3.45Å; W415-N467 WeakPolarHBondContact CZ3-OD1 3.44Å; W415-L478 HydrophobicContact CE3-CD1 4.45Å; W415-L478 HydrophobicContact CH2-CB 3.66Å; W415-L478 HydrophobicContact CH2-CD1 4.07Å; W415-L478 HydrophobicContact CZ3-CB 3.68Å; W415-L478 HydrophobicContact CZ3-CD1 3.52Å; W415-L478 HydrophobicContact CZ3-CG 4.28Å; W415-S479 WeakPolarHBondContact CH2-O 3.34Å; W415-S479 WeakPolarHBondContact CZ2-O 3.25Å; W415-W481 VanDerWaalsContact CZ2-O 3.28Å; W415-W481 WeakPolarHBondContact CZ2-O 3.43Å; W415-W481 PolarHBondContact NE1-O 2.99Å; W415-W481 VanDerWaalsContact NE1-O 3.15Å; W415-M484 HydrophobicContact CB-CE 3.69Å; W415-M484 HydrophobicContact CD2-CE 3.38Å; W415-M484 HydrophobicContact CD2-CG 3.81Å; W415-M484 HydrophobicContact CD2-SD 4.44Å; W415-M484 VanDerWaalsContact CE2-CG 3.5Å; W415-M484 HydrophobicContact CE3-CE 3.58Å; W415-M484 HydrophobicContact CE3-CG 3.94Å; W415-M484 HydrophobicContact CE3-SD 4.43Å; W415-M484 HydrophobicContact CG-CE 3.42Å; W415-M484 VanDerWaalsContact CG-CE 3.42Å; W415-M484 HydrophobicContact CH2-CB 4.14Å; W415-M484 HydrophobicContact CH2-CG 3.58Å; W415-M484 HydrophobicContact CZ2-CB 4.1Å; W415-M484 HydrophobicContact CZ2-CG 3.4Å; W415-M484 VanDerWaalsContact CZ2-CG 3.4Å; W415-M484 HydrophobicContact CZ3-CE 4.34Å; W415-M484 HydrophobicContact CZ3-CG 3.84Å
416	A	87.9	Confident	93.8	Very high	24 Å²	24	36.4 Å²	36.4	20%	0.198	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.3	-173.3	0	0	0	0	0	113.4	I414 Q419 G465 N467	I414-A416 PolarHBondContact O-N 3Å; A416-Q419 PolarHBondContact O-NE2 3.35Å; A416-G465 WeakPolarHBondContact CB-O 3.29Å; A416-N467 WeakPolarHBondContact CB-OD1 3.14Å; A416-N467 PolarHBondContact N-OD1 2.9Å
417	Y	86.4	Confident	94.1	Very high	114 Å²	114	40.2 Å²	40.2	45%	0.447	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-47.2	179.7	172.3	-96.8	0	0	0	113.3	W415 R482	W415-Y417 PolarHBondContact O-N 3.45Å; W415-Y417 VanDerWaalsContact O-N 3.09Å; Y417-R482 HydrophobicContact CD1-CB 4.4Å; Y417-R482 HydrophobicContact CE1-CB 3.9Å; Y417-R482 HydrophobicContact CE1-CG 4.01Å; Y417-R482 HydrophobicContact CE2-CB 4.07Å
418	D	88.3	Confident	94.2	Very high	45 Å²	45	39.2 Å²	39.2	24%	0.241	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-3.4	-174.6	66.8	7.4	0	0	0	114.3	W415 R420 Y422 Q431	W415-D418 PolarHBondContact O-N 3.28Å; D418-R420 HydrophobicContact CB-CG 4.41Å; D418-R420 PolarHBondContact O-N 2.79Å; D418-R420 WeakPolarHBondContact OD1-CB 3.37Å; D418-R420 PolarHBondContact OD1-N 3.1Å; D418-Y422 PolarHBondContact OD2-OH 3.43Å; D418-Y422 VanDerWaalsContact OD2-OH 3.09Å; D418-Q431 PolarHBondContact OD2-NE2 3.13Å
419	Q	88.3	Confident	94.1	Very high	103 Å²	103	36.4 Å²	36.4	48%	0.481	17%	0.171	S	C	.	.			trans	60	29.1	178.2	-57.1	-66.5	-41	0	0	113.5	I414 W415 A416	I414-Q419 HydrophobicContact CG2-CB 4.47Å; W415-Q419 VanDerWaalsContact O-CA 3.29Å; W415-Q419 WeakPolarHBondContact O-CA 3.49Å; W415-Q419 PolarHBondContact O-N 3.41Å; A416-Q419 PolarHBondContact O-NE2 3.35Å
420	R	89.9	Confident	93.9	Very high	82 Å²	82	38.1 Å²	38.1	31%	0.309	18%	0.178	S	C	.	.			trans	-104.4	156.7	178.6	-65.1	172.8	176	-150	-5.5	111.8	I414 W415 D418 Y422 Q431 E437	I414-R420 CarbonylContact C-O 3.56Å; I414-R420 VanDerWaalsContact CA-O 3.27Å; I414-R420 WeakPolarHBondContact CA-O 3.43Å; W415-R420 PolarHBondContact N-O 3.49Å; D418-R420 HydrophobicContact CB-CG 4.41Å; D418-R420 PolarHBondContact O-N 2.79Å; D418-R420 WeakPolarHBondContact OD1-CB 3.37Å; D418-R420 PolarHBondContact OD1-N 3.1Å; R420-Y422 HydrophobicContact CB-CE2 4.26Å; R420-Y422 WeakPolarHBondContact O-CD2 3.45Å; R420-Q431 HydrophobicContact CB-CG 4.36Å; R420-E437 IonicContact CZ-OE1 2.64Å; R420-E437 IonicContact CZ-OE2 3.67Å; R420-E437 IonicContact NH1-OE1 3.61Å; R420-E437 IonicContact NH1-OE2 3.32Å; R420-E437 PolarHBondContact NH1-OE2 2.99Å; R420-E437 IonicContact NH2-OE1 2.79Å; R420-E437 PolarHBondContact NH2-OE1 2.81Å; R420-E437 IonicContact NH2-OE2 3.06Å; R420-E437 PolarHBondContact NH2-OE2 3.33Å
421	F	93	Very high	93.5	Very high	35 Å²	35	38.1 Å²	38.1	15%	0.154	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136	173.3	-63.6	-87	0	0	0	111.3	V366 D368 Y374 M413 I414 F423 H432	V366-F421 HydrophobicContact CB-CD1 4.33Å; V366-F421 HydrophobicContact CB-CE1 4.39Å; V366-F421 HydrophobicContact CG1-CD1 3.68Å; V366-F421 HydrophobicContact CG1-CE1 3.73Å; V366-F421 HydrophobicContact CG2-CD1 3.66Å; V366-F421 HydrophobicContact CG2-CE1 3.77Å; D368-F421 HydrophobicContact CB-CZ 3.85Å; Y374-F421 HydrophobicContact CD2-CE1 4.13Å; Y374-F421 HydrophobicContact CD2-CZ 4.22Å; Y374-F421 HydrophobicContact CE2-CE1 4.29Å; Y374-F421 AromaticContact CE2-CZ 3.93Å; Y374-F421 HydrophobicContact CE2-CZ 3.93Å; M413-F421 CarbonylContact O-C 3.57Å; I414-F421 HydrophobicContact CD1-CE1 4.3Å; I414-F421 HydrophobicContact CD1-CZ 4.46Å; I414-F421 HydrophobicContact CG1-CD1 4.06Å; I414-F421 HydrophobicContact CG1-CE1 4.27Å; I414-F421 HydrophobicContact CG1-CG 4.46Å; F421-F423 HydrophobicContact CB-CE2 4.02Å; F421-F423 HydrophobicContact CB-CZ 3.98Å; F421-F423 HydrophobicContact CD1-CZ 4.5Å; F421-F423 HydrophobicContact CG-CZ 4.44Å; F421-H432 HydrophobicContact CB-CB 3.82Å; F421-H432 PolarHBondContact O-N 3.01Å
422	Y	94.9	Very high	92.8	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.063	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.6	172.2	-78.6	-100.8	0	0	0	109.4	A412 M413 W415 D418 R420 F429 W430 Q431 W441 M484	A412-Y422 CarbonylContact C-O 3.45Å; A412-Y422 VanDerWaalsContact CA-O 3.28Å; A412-Y422 WeakPolarHBondContact CA-O 3.22Å; M413-Y422 PolarHBondContact N-O 3.08Å; M413-Y422 PolarHBondContact O-N 2.83Å; W415-Y422 HydrophobicContact CB-CD2 3.46Å; W415-Y422 VanDerWaalsContact CB-CD2 3.46Å; W415-Y422 HydrophobicContact CB-CE2 3.3Å; W415-Y422 HydrophobicContact CB-CG 4.45Å; W415-Y422 HydrophobicContact CG-CD2 4.44Å; W415-Y422 HydrophobicContact CG-CE2 4.02Å; D418-Y422 PolarHBondContact OD2-OH 3.43Å; D418-Y422 VanDerWaalsContact OD2-OH 3.09Å; R420-Y422 HydrophobicContact CB-CE2 4.26Å; R420-Y422 WeakPolarHBondContact O-CD2 3.45Å; Y422-F429 AromaticContact CD1-CD2 3.94Å; Y422-F429 HydrophobicContact CD1-CD2 3.94Å; Y422-F429 HydrophobicContact CD1-CE2 4.14Å; Y422-F429 HydrophobicContact CE1-CD2 4.38Å; Y422-F429 HydrophobicContact CE1-CE2 4.15Å; Y422-W430 CarbonylContact C-O 3.56Å; Y422-W430 VanDerWaalsContact CA-O 3.26Å; Y422-W430 WeakPolarHBondContact CA-O 3.45Å; Y422-Q431 HydrophobicContact CD1-CB 4.01Å; Y422-Q431 HydrophobicContact CD1-CG 4.48Å; Y422-Q431 HydrophobicContact CD2-CG 4.43Å; Y422-Q431 HydrophobicContact CE1-CB 3.67Å; Y422-Q431 HydrophobicContact CE1-CG 3.99Å; Y422-Q431 HydrophobicContact CE2-CB 4.43Å; Y422-Q431 HydrophobicContact CE2-CG 3.88Å; Y422-Q431 PolarHBondContact OH-NE2 3.33Å; Y422-W441 HydrophobicContact CD1-CH2 4.46Å; Y422-W441 AromaticContact CE1-CH2 3.72Å; Y422-W441 HydrophobicContact CE1-CH2 3.72Å; Y422-W441 HydrophobicContact CE1-CZ2 4.21Å; Y422-W441 HydrophobicContact CE1-CZ3 4.47Å; Y422-M484 HydrophobicContact CD1-CE 3.42Å; Y422-M484 VanDerWaalsContact CD1-CE 3.42Å; Y422-M484 HydrophobicContact CD1-SD 4.34Å; Y422-M484 HydrophobicContact CD2-CE 3.79Å; Y422-M484 HydrophobicContact CE1-CE 3.48Å; Y422-M484 VanDerWaalsContact CE1-CE 3.48Å; Y422-M484 HydrophobicContact CE1-SD 4.38Å; Y422-M484 HydrophobicContact CE2-CE 3.89Å; Y422-M484 HydrophobicContact CG-CE 3.54Å
423	F	96.4	Very high	91.6	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.9	-175	-62.5	-64.4	0	0	0	110.1	V366 F376 F402 T405 L409 A412 F421 F429 W430 H432	V366-F423 HydrophobicContact CG1-CE1 4.47Å; F376-F423 HydrophobicContact CE1-CE1 4.28Å; F376-F423 HydrophobicContact CE2-CE1 4.19Å; F376-F423 AromaticContact CZ-CE1 3.86Å; F376-F423 HydrophobicContact CZ-CE1 3.86Å; F376-F423 HydrophobicContact CZ-CZ 4.18Å; F402-F423 AromaticContact CD1-CE2 3.85Å; F402-F423 HydrophobicContact CD1-CE2 3.85Å; F402-F423 AromaticContact CD1-CZ 3.68Å; F402-F423 HydrophobicContact CD1-CZ 3.68Å; F402-F423 HydrophobicContact CE1-CE2 4.35Å; F402-F423 AromaticContact CE1-CZ 3.8Å; F402-F423 HydrophobicContact CE1-CZ 3.8Å; F402-F423 HydrophobicContact CG-CZ 4.36Å; T405-F423 HydrophobicContact CG2-CB 3.93Å; T405-F423 HydrophobicContact CG2-CD1 4.28Å; T405-F423 HydrophobicContact CG2-CD2 3.32Å; T405-F423 HydrophobicContact CG2-CE2 3.76Å; T405-F423 HydrophobicContact CG2-CG 3.59Å; T405-F423 HydrophobicContact CG2-CZ 4.43Å; L409-F423 HydrophobicContact CD1-CB 4.38Å; L409-F423 HydrophobicContact CD1-CD1 3.45Å; L409-F423 VanDerWaalsContact CD1-CD1 3.45Å; L409-F423 HydrophobicContact CD1-CE1 3.91Å; L409-F423 HydrophobicContact CD1-CG 4.12Å; L409-F423 HydrophobicContact CD2-CB 3.86Å; L409-F423 HydrophobicContact CD2-CD1 4.48Å; L409-F423 HydrophobicContact CD2-CG 4.4Å; A412-F423 HydrophobicContact CB-CD1 3.61Å; A412-F423 HydrophobicContact CB-CE1 3.82Å; F421-F423 HydrophobicContact CB-CE2 4.02Å; F421-F423 HydrophobicContact CB-CZ 3.98Å; F421-F423 HydrophobicContact CD1-CZ 4.5Å; F421-F423 HydrophobicContact CG-CZ 4.44Å; F423-F429 CarbonylContact O-C 3.29Å; F423-F429 WeakPolarHBondContact O-CA 3.38Å; F423-F429 WeakPolarHBondContact O-CB 3.47Å; F423-W430 PolarHBondContact N-O 3.31Å; F423-W430 PolarHBondContact O-N 3.37Å; F423-H432 HydrophobicContact CD2-CB 4.33Å; F423-H432 HydrophobicContact CE2-CB 3.81Å
424	F	97.4	Very high	90.4	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136	-176.9	-59.5	-93.2	0	0	0	109.9	D410 A411 M413 F429 I445 I448 I456 A459 I469	D410-F424 PolarHBondContact N-O 3.1Å; A411-F424 HydrophobicContact CB-CB 4.04Å; A411-F424 HydrophobicContact CB-CD2 3.94Å; A411-F424 HydrophobicContact CB-CG 4.28Å; A411-F424 PolarHBondContact N-O 3.41Å; A411-F424 PolarHBondContact O-N 2.88Å; M413-F424 HydrophobicContact CE-CE2 4.06Å; M413-F424 HydrophobicContact CE-CZ 3.68Å; M413-F424 HydrophobicContact CG-CE2 4.1Å; F424-F429 HydrophobicContact CD1-CB 3.4Å; F424-F429 VanDerWaalsContact CD1-CB 3.4Å; F424-F429 HydrophobicContact CD1-CG 4.27Å; F424-F429 HydrophobicContact CE1-CB 3.53Å; F424-F429 HydrophobicContact CE1-CD2 4.34Å; F424-F429 AromaticContact CE1-CG 3.95Å; F424-F429 HydrophobicContact CE1-CG 3.95Å; F424-F429 HydrophobicContact CG-CB 4.13Å; F424-F429 HydrophobicContact CZ-CB 4.33Å; F424-I445 HydrophobicContact CD1-CG2 4.11Å; F424-I448 HydrophobicContact CE1-CD1 3.87Å; F424-I456 HydrophobicContact CB-CB 4.45Å; F424-I456 HydrophobicContact CD1-CB 4.43Å; F424-I456 HydrophobicContact CD1-CD1 3.38Å; F424-I456 HydrophobicContact CD1-CG1 4.5Å; F424-I456 HydrophobicContact CE1-CD1 3.63Å; F424-I456 HydrophobicContact CG-CB 4.47Å; F424-I456 HydrophobicContact CG-CD1 4.2Å; F424-I456 HydrophobicContact CG-CG2 4.49Å; F424-A459 HydrophobicContact CD2-CB 4.34Å; F424-A459 HydrophobicContact CE2-CB 4.09Å; F424-I469 HydrophobicContact CE1-CD1 4.49Å
425	K	97.3	Very high	88.9	Confident	67 Å²	67	50.7 Å²	50.7	29%	0.291	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	118.4	175.9	-177.9	74.7	178.2	157.4	0	109.8	P406 N408 D410 K427 F428 W430	P406-K425 HydrophobicContact CG-CB 4.03Å; P406-K425 HydrophobicContact CG-CG 4.45Å; N408-K425 WeakPolarHBondContact O-CD 3.15Å; N408-K425 WeakPolarHBondContact O-CE 3.39Å; N408-K425 PolarHBondContact O-NZ 3.42Å; D410-K425 VanDerWaalsContact OD2-CA 3.27Å; D410-K425 WeakPolarHBondContact OD2-CA 3.42Å; K425-K427 PolarHBondContact O-N 3.3Å; K425-F428 PolarHBondContact N-O 2.97Å; K425-F428 PolarHBondContact O-N 2.91Å; K425-W430 HydrophobicContact CB-CE3 4.47Å; K425-W430 HydrophobicContact CB-CH2 3.81Å; K425-W430 HydrophobicContact CB-CZ3 3.49Å; K425-W430 VanDerWaalsContact CB-CZ3 3.49Å; K425-W430 HydrophobicContact CG-CH2 4.5Å
426	G	96.2	Very high	87.3	Confident	27 Å²	27	55.9 Å²	55.9	28%	0.278	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-125.8	-174	0	0	0	0	0	111.1	D410 F428 S454 K455	D410-G426 PolarHBondContact OD2-N 3.21Å; G426-F428 PolarHBondContact O-N 2.95Å; G426-S454 CarbonylContact C-O 3.56Å; G426-S454 VanDerWaalsContact C-O 3.29Å; G426-K455 WeakPolarHBondContact O-CA 3.17Å
427	K	96.4	Very high	86	Confident	114 Å²	114	58.3 Å²	58.3	50%	0.496	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	7.1	-178.9	-63.3	179.6	-176.9	178.6	0	113.7	K425 L444 I445 T453 S454	K425-K427 PolarHBondContact O-N 3.3Å; K427-L444 HydrophobicContact CB-CD2 4.38Å; K427-L444 CarbonylContact O-C 3.46Å; K427-L444 WeakPolarHBondContact O-CA 3.12Å; K427-I445 PolarHBondContact O-N 3.04Å; K427-T453 VanDerWaalsContact CE-O 3.27Å; K427-T453 WeakPolarHBondContact CE-O 3.43Å; K427-S454 VanDerWaalsContact CG-O 3.31Å; K427-S454 WeakPolarHBondContact CG-O 3.44Å
428	F	95.5	Very high	84.5	Confident	88 Å²	88	65.3 Å²	65.3	39%	0.386	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.8	-167.5	-63.6	-76.3	0	0	0	112.1	K425 G426 W430 P442 R443 L444	K425-F428 PolarHBondContact N-O 2.97Å; K425-F428 PolarHBondContact O-N 2.91Å; G426-F428 PolarHBondContact O-N 2.95Å; F428-W430 HydrophobicContact CB-CE3 4.46Å; F428-W430 HydrophobicContact CB-CH2 3.34Å; F428-W430 HydrophobicContact CB-CZ2 4.1Å; F428-W430 HydrophobicContact CB-CZ3 3.54Å; F428-W430 HydrophobicContact CG-CH2 4.31Å; F428-W430 WeakPolarHBondContact O-CZ3 3.47Å; F428-P442 HydrophobicContact CB-CB 3.86Å; F428-P442 HydrophobicContact CB-CG 4.36Å; F428-P442 HydrophobicContact CD1-CB 3.97Å; F428-P442 HydrophobicContact CD1-CG 3.88Å; F428-P442 HydrophobicContact CG-CB 4.22Å; F428-P442 HydrophobicContact CG-CG 4.24Å; F428-R443 CarbonylContact C-O 3.53Å; F428-R443 WeakPolarHBondContact CA-O 3.2Å; F428-L444 HydrophobicContact CD1-CD2 3.91Å; F428-L444 HydrophobicContact CE1-CD2 3.47Å; F428-L444 VanDerWaalsContact CE1-CD2 3.47Å; F428-L444 HydrophobicContact CE1-CG 4.21Å; F428-L444 HydrophobicContact CZ-CD2 4Å
429	F	95	Very high	83.2	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.9	169.3	73	-81.5	0	0	0	111.3	Y422 F423 F424 W441 P442 R443 L444 I445 I448 M484	Y422-F429 AromaticContact CD1-CD2 3.94Å; Y422-F429 HydrophobicContact CD1-CD2 3.94Å; Y422-F429 HydrophobicContact CD1-CE2 4.14Å; Y422-F429 HydrophobicContact CE1-CD2 4.38Å; Y422-F429 HydrophobicContact CE1-CE2 4.15Å; F423-F429 CarbonylContact O-C 3.29Å; F423-F429 WeakPolarHBondContact O-CA 3.38Å; F423-F429 WeakPolarHBondContact O-CB 3.47Å; F424-F429 HydrophobicContact CD1-CB 3.4Å; F424-F429 VanDerWaalsContact CD1-CB 3.4Å; F424-F429 HydrophobicContact CD1-CG 4.27Å; F424-F429 HydrophobicContact CE1-CB 3.53Å; F424-F429 HydrophobicContact CE1-CD2 4.34Å; F424-F429 AromaticContact CE1-CG 3.95Å; F424-F429 HydrophobicContact CE1-CG 3.95Å; F424-F429 HydrophobicContact CG-CB 4.13Å; F424-F429 HydrophobicContact CZ-CB 4.33Å; F429-W441 HydrophobicContact CD2-CH2 4.28Å; F429-W441 AromaticContact CD2-CZ3 3.64Å; F429-W441 HydrophobicContact CD2-CZ3 3.64Å; F429-W441 AromaticContact CE2-CH2 3.76Å; F429-W441 HydrophobicContact CE2-CH2 3.76Å; F429-W441 AromaticContact CE2-CZ3 3.41Å; F429-W441 HydrophobicContact CE2-CZ3 3.41Å; F429-W441 VanDerWaalsContact CE2-CZ3 3.41Å; F429-W441 HydrophobicContact CG-CZ3 4.46Å; F429-W441 HydrophobicContact CZ-CH2 4.5Å; F429-W441 HydrophobicContact CZ-CZ3 4.06Å; F429-W441 VanDerWaalsContact O-CE3 3.28Å; F429-P442 WeakPolarHBondContact O-CA 3.3Å; F429-P442 WeakPolarHBondContact O-CB 3.07Å; F429-R443 HydrophobicContact CD1-CB 3.9Å; F429-R443 VanDerWaalsContact CD1-O 3.24Å; F429-R443 WeakPolarHBondContact CD1-O 3.16Å; F429-R443 HydrophobicContact CE1-CB 3.35Å; F429-R443 HydrophobicContact CE2-CB 4.26Å; F429-R443 HydrophobicContact CZ-CB 3.57Å; F429-R443 HydrophobicContact CZ-CG 4.32Å; F429-R443 PolarHBondContact N-O 2.66Å; F429-R443 PolarHBondContact O-N 3.24Å; F429-L444 WeakPolarHBondContact CE1-O 3.2Å; F429-I445 HydrophobicContact CB-CG2 4.43Å; F429-I445 HydrophobicContact CD1-CG2 4.11Å; F429-I448 HydrophobicContact CD1-CD1 4.32Å; F429-I448 HydrophobicContact CE1-CD1 4.14Å; F429-I448 HydrophobicContact CE1-CG1 4.17Å; F429-I448 HydrophobicContact CZ-CD1 4.37Å; F429-I448 HydrophobicContact CZ-CG1 4.36Å; F429-M484 HydrophobicContact CE2-SD 3.99Å
430	W	92.7	Very high	82.5	Confident	40 Å²	40	68.4 Å²	68.4	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.9	-177.8	-64.7	-109.3	0	0	0	108.7	P406 Y422 F423 K425 F428 P442	P406-W430 HydrophobicContact CB-CZ2 4.5Å; P406-W430 HydrophobicContact CG-CD2 3.91Å; P406-W430 HydrophobicContact CG-CE3 3.81Å; P406-W430 HydrophobicContact CG-CH2 3.84Å; P406-W430 HydrophobicContact CG-CZ2 3.87Å; P406-W430 HydrophobicContact CG-CZ3 3.83Å; Y422-W430 CarbonylContact C-O 3.56Å; Y422-W430 VanDerWaalsContact CA-O 3.26Å; Y422-W430 WeakPolarHBondContact CA-O 3.45Å; F423-W430 PolarHBondContact N-O 3.31Å; F423-W430 PolarHBondContact O-N 3.37Å; K425-W430 HydrophobicContact CB-CE3 4.47Å; K425-W430 HydrophobicContact CB-CH2 3.81Å; K425-W430 HydrophobicContact CB-CZ3 3.49Å; K425-W430 VanDerWaalsContact CB-CZ3 3.49Å; K425-W430 HydrophobicContact CG-CH2 4.5Å; F428-W430 HydrophobicContact CB-CE3 4.46Å; F428-W430 HydrophobicContact CB-CH2 3.34Å; F428-W430 HydrophobicContact CB-CZ2 4.1Å; F428-W430 HydrophobicContact CB-CZ3 3.54Å; F428-W430 HydrophobicContact CG-CH2 4.31Å; F428-W430 WeakPolarHBondContact O-CZ3 3.47Å; W430-P442 HydrophobicContact CD2-CB 3.95Å; W430-P442 HydrophobicContact CG-CB 4.35Å; W430-P442 HydrophobicContact CH2-CB 4.28Å; W430-P442 HydrophobicContact CZ2-CB 3.73Å; W430-P442 HydrophobicContact CZ2-CG 3.92Å
431	Q	89.3	Confident	82.1	Confident	26 Å²	26	67.1 Å²	67.1	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.4	161.7	-178	-174.3	39	0	0	107.3	D418 R420 Y422 L433 W441	D418-Q431 PolarHBondContact OD2-NE2 3.13Å; R420-Q431 HydrophobicContact CB-CG 4.36Å; Y422-Q431 HydrophobicContact CD1-CB 4.01Å; Y422-Q431 HydrophobicContact CD1-CG 4.48Å; Y422-Q431 HydrophobicContact CD2-CG 4.43Å; Y422-Q431 HydrophobicContact CE1-CB 3.67Å; Y422-Q431 HydrophobicContact CE1-CG 3.99Å; Y422-Q431 HydrophobicContact CE2-CB 4.43Å; Y422-Q431 HydrophobicContact CE2-CG 3.88Å; Y422-Q431 PolarHBondContact OH-NE2 3.33Å; Q431-L433 HydrophobicContact CG-CD2 4.14Å; Q431-L433 PolarHBondContact O-N 3.38Å; Q431-W441 HydrophobicContact CB-CD2 4.08Å; Q431-W441 HydrophobicContact CB-CH2 3.88Å; Q431-W441 HydrophobicContact CB-CZ2 3.26Å; Q431-W441 HydrophobicContact CB-CZ3 4.47Å; Q431-W441 HydrophobicContact CG-CZ2 4.22Å
432	H	84.4	Confident	82.1	Confident	37 Å²	37	68.3 Å²	68.3	17%	0.171	36%	0.357	C	S	.	.			trans	-70.9	127.4	170	-175.8	64.3	0	0	0	109.7	A401 F402 F421 F423	A401-H432 PolarHBondContact O-CE1 3.26Å; A401-H432 VanDerWaalsContact O-CE1 3.26Å; F402-H432 AromaticContact CD1-CE1 3.91Å; F402-H432 AromaticContact CD1-ND1 3.86Å; F421-H432 HydrophobicContact CB-CB 3.82Å; F421-H432 PolarHBondContact O-N 3.01Å; F423-H432 HydrophobicContact CD2-CB 4.33Å; F423-H432 HydrophobicContact CE2-CB 3.81Å
433	L	73.7	Confident	81.9	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.12	38%	0.377	C	S	.	.			trans	-114.9	141.7	177.9	-55.4	170.9	0	0	0	108.9	Q431 E437 A439	Q431-L433 HydrophobicContact CG-CD2 4.14Å; Q431-L433 PolarHBondContact O-N 3.38Å; L433-E437 HydrophobicContact CB-CB 4.25Å; L433-E437 HydrophobicContact CD1-CB 4.26Å; L433-E437 VanDerWaalsContact CD1-O 3.3Å; L433-E437 WeakPolarHBondContact CD1-O 3.41Å; L433-E437 HydrophobicContact CD2-CB 4.32Å; L433-E437 VanDerWaalsContact CD2-OE2 3.3Å; L433-E437 WeakPolarHBondContact CD2-OE2 3.4Å; L433-E437 HydrophobicContact CG-CB 4.5Å; L433-A439 HydrophobicContact CD1-CB 3.52Å
434	T	69.4	Low	81.8	Confident	93 Å²	93	77.6 Å²	77.6	57%	0.571	40%	0.398	S	S	*	.			trans	-69.6	143.4	160	50.8	0	0	0	0	108.8	S436 E437	T434-S436 PolarHBondContact O-N 3.17Å; T434-E437 PolarHBondContact O-N 2.95Å; T434-E437 VanDerWaalsContact O-N 3.13Å
435	S	61.7	Low	81.8	Confident	121 Å²	121	77.6 Å²	77.6	85%	0.846	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-11	-164.5	-38.6	0	0	0	0	117.8
436	S	58.3	Low	81.7	Confident	109 Å²	109	79.9 Å²	79.9	76%	0.762	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.9	178.4	53.4	0	0	0	0	114.8	T434	T434-S436 PolarHBondContact O-N 3.17Å
437	E	62	Low	81.5	Confident	76 Å²	76	81.6 Å²	81.6	36%	0.355	41%	0.413	S	S	.	.			trans	-108.8	114.3	-177.7	-63.6	-179.4	160.4	0	0	111.8	R420 L433 T434 A439	R420-E437 IonicContact CZ-OE1 2.64Å; R420-E437 IonicContact CZ-OE2 3.67Å; R420-E437 IonicContact NH1-OE1 3.61Å; R420-E437 IonicContact NH1-OE2 3.32Å; R420-E437 PolarHBondContact NH1-OE2 2.99Å; R420-E437 IonicContact NH2-OE1 2.79Å; R420-E437 PolarHBondContact NH2-OE1 2.81Å; R420-E437 IonicContact NH2-OE2 3.06Å; R420-E437 PolarHBondContact NH2-OE2 3.33Å; L433-E437 HydrophobicContact CB-CB 4.25Å; L433-E437 HydrophobicContact CD1-CB 4.26Å; L433-E437 VanDerWaalsContact CD1-O 3.3Å; L433-E437 WeakPolarHBondContact CD1-O 3.41Å; L433-E437 HydrophobicContact CD2-CB 4.32Å; L433-E437 VanDerWaalsContact CD2-OE2 3.3Å; L433-E437 WeakPolarHBondContact CD2-OE2 3.4Å; L433-E437 HydrophobicContact CG-CB 4.5Å; T434-E437 PolarHBondContact O-N 2.95Å; T434-E437 VanDerWaalsContact O-N 3.13Å; E437-A439 PolarHBondContact O-N 2.92Å
438	R	54.4	Low	81.4	Confident	261 Å²	261	76.3 Å²	76.3	99%	0.985	39%	0.39	S	S	*	.			trans	-82.1	108.6	165.9	-77	-177.3	-177.5	170.7	1	108.8
439	A	61.6	Low	81.2	Confident	52 Å²	52	72.9 Å²	72.9	43%	0.43	38%	0.377	S	S	.	.			trans	-120.6	154.4	168.9	0	0	0	0	0	112.8	L433 E437 W441	L433-A439 HydrophobicContact CD1-CB 3.52Å; E437-A439 PolarHBondContact O-N 2.92Å; A439-W441 PolarHBondContact O-N 3.12Å; A439-W441 VanDerWaalsContact O-N 3.13Å
440	L	73.3	Confident	80.9	Confident	161 Å²	161	76.9 Å²	76.9	84%	0.843	41%	0.406	S	S	*	.			trans	-81.2	81.3	177.8	-64.2	165.5	0	0	0	109.4
441	W	81.7	Confident	80.6	Confident	55 Å²	55	79 Å²	79	21%	0.208	42%	0.42	C	S	.	.			trans	-113.9	152.2	171.9	-66.9	107.4	0	0	0	110.2	Y422 F429 Q431 A439 R443	Y422-W441 HydrophobicContact CD1-CH2 4.46Å; Y422-W441 AromaticContact CE1-CH2 3.72Å; Y422-W441 HydrophobicContact CE1-CH2 3.72Å; Y422-W441 HydrophobicContact CE1-CZ2 4.21Å; Y422-W441 HydrophobicContact CE1-CZ3 4.47Å; F429-W441 HydrophobicContact CD2-CH2 4.28Å; F429-W441 AromaticContact CD2-CZ3 3.64Å; F429-W441 HydrophobicContact CD2-CZ3 3.64Å; F429-W441 AromaticContact CE2-CH2 3.76Å; F429-W441 HydrophobicContact CE2-CH2 3.76Å; F429-W441 AromaticContact CE2-CZ3 3.41Å; F429-W441 HydrophobicContact CE2-CZ3 3.41Å; F429-W441 VanDerWaalsContact CE2-CZ3 3.41Å; F429-W441 HydrophobicContact CG-CZ3 4.46Å; F429-W441 HydrophobicContact CZ-CH2 4.5Å; F429-W441 HydrophobicContact CZ-CZ3 4.06Å; F429-W441 VanDerWaalsContact O-CE3 3.28Å; Q431-W441 HydrophobicContact CB-CD2 4.08Å; Q431-W441 HydrophobicContact CB-CH2 3.88Å; Q431-W441 HydrophobicContact CB-CZ2 3.26Å; Q431-W441 HydrophobicContact CB-CZ3 4.47Å; Q431-W441 HydrophobicContact CG-CZ2 4.22Å; A439-W441 PolarHBondContact O-N 3.12Å; A439-W441 VanDerWaalsContact O-N 3.13Å; W441-R443 HydrophobicContact CE3-CB 4.15Å; W441-R443 HydrophobicContact CE3-CG 3.74Å; W441-R443 HydrophobicContact CH2-CG 4.21Å; W441-R443 HydrophobicContact CZ3-CB 3.83Å; W441-R443 VanDerWaalsContact CZ3-CD 3.41Å; W441-R443 HydrophobicContact CZ3-CG 3.51Å
442	P	92	Very high	80.8	Confident	59 Å²	59	78 Å²	78	38%	0.383	42%	0.415	S	S	.	.			cis	-79	171.2	2.5	28.5	-33	0	0	0	115.8	F428 F429 W430	F428-P442 HydrophobicContact CB-CB 3.86Å; F428-P442 HydrophobicContact CB-CG 4.36Å; F428-P442 HydrophobicContact CD1-CB 3.97Å; F428-P442 HydrophobicContact CD1-CG 3.88Å; F428-P442 HydrophobicContact CG-CB 4.22Å; F428-P442 HydrophobicContact CG-CG 4.24Å; F429-P442 WeakPolarHBondContact O-CA 3.3Å; F429-P442 WeakPolarHBondContact O-CB 3.07Å; W430-P442 HydrophobicContact CD2-CB 3.95Å; W430-P442 HydrophobicContact CG-CB 4.35Å; W430-P442 HydrophobicContact CH2-CB 4.28Å; W430-P442 HydrophobicContact CZ2-CB 3.73Å; W430-P442 HydrophobicContact CZ2-CG 3.92Å
443	R	92.1	Very high	80.8	Confident	129 Å²	129	80.5 Å²	80.5	49%	0.487	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	155.9	166.7	-69.3	-178.1	-175.5	-91.1	-6	111.2	F428 F429 W441	F428-R443 CarbonylContact C-O 3.53Å; F428-R443 WeakPolarHBondContact CA-O 3.2Å; F429-R443 HydrophobicContact CD1-CB 3.9Å; F429-R443 VanDerWaalsContact CD1-O 3.24Å; F429-R443 WeakPolarHBondContact CD1-O 3.16Å; F429-R443 HydrophobicContact CE1-CB 3.35Å; F429-R443 HydrophobicContact CE2-CB 4.26Å; F429-R443 HydrophobicContact CZ-CB 3.57Å; F429-R443 HydrophobicContact CZ-CG 4.32Å; F429-R443 PolarHBondContact N-O 2.66Å; F429-R443 PolarHBondContact O-N 3.24Å; W441-R443 HydrophobicContact CE3-CB 4.15Å; W441-R443 HydrophobicContact CE3-CG 3.74Å; W441-R443 HydrophobicContact CH2-CG 4.21Å; W441-R443 HydrophobicContact CZ3-CB 3.83Å; W441-R443 VanDerWaalsContact CZ3-CD 3.41Å; W441-R443 HydrophobicContact CZ3-CG 3.51Å
444	L	94.4	Very high	81.6	Confident	82 Å²	82	82.8 Å²	82.8	43%	0.429	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.2	176.1	-71.8	168.5	0	0	0	111.6	K427 F428 F429 K446 T447	K427-L444 HydrophobicContact CB-CD2 4.38Å; K427-L444 CarbonylContact O-C 3.46Å; K427-L444 WeakPolarHBondContact O-CA 3.12Å; F428-L444 HydrophobicContact CD1-CD2 3.91Å; F428-L444 HydrophobicContact CE1-CD2 3.47Å; F428-L444 VanDerWaalsContact CE1-CD2 3.47Å; F428-L444 HydrophobicContact CE1-CG 4.21Å; F428-L444 HydrophobicContact CZ-CD2 4Å; F429-L444 WeakPolarHBondContact CE1-O 3.2Å; L444-K446 HydrophobicContact CB-CB 4.49Å; L444-K446 PolarHBondContact O-N 3.19Å; L444-K446 VanDerWaalsContact O-N 3.15Å; L444-T447 HydrophobicContact CB-CG2 4.32Å; L444-T447 WeakPolarHBondContact O-CB 3.42Å; L444-T447 WeakPolarHBondContact O-CG2 3.46Å; L444-T447 PolarHBondContact O-N 3.14Å; L444-T447 PolarHBondContact O-OG1 3.36Å
445	I	96.1	Very high	82.9	Confident	1 Å²	1	82.2 Å²	82.2	1%	0.005	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-60.4	-25.2	173.9	64.9	179.5	0	0	0	112.4	F424 K427 F429 T447 I448 S449 F452 I456	F424-I445 HydrophobicContact CD1-CG2 4.11Å; K427-I445 PolarHBondContact O-N 3.04Å; F429-I445 HydrophobicContact CB-CG2 4.43Å; F429-I445 HydrophobicContact CD1-CG2 4.11Å; I445-T447 PolarHBondContact O-N 3.36Å; I445-T447 VanDerWaalsContact O-N 3.07Å; I445-I448 WeakPolarHBondContact O-CB 3.43Å; I445-I448 PolarHBondContact O-N 3.34Å; I445-S449 PolarHBondContact O-N 3.2Å; I445-F452 HydrophobicContact CB-CB 4.26Å; I445-F452 HydrophobicContact CB-CD2 4.47Å; I445-F452 HydrophobicContact CD1-CB 3.79Å; I445-F452 HydrophobicContact CG1-CB 3.79Å; I445-I456 HydrophobicContact CB-CD1 4.11Å; I445-I456 HydrophobicContact CG2-CD1 3.82Å
446	K	94.7	Very high	84.6	Confident	115 Å²	115	76.5 Å²	76.5	50%	0.5	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-57.9	-20.4	171.1	-74.4	-168.6	173.1	-167.8	0	114	L444 I448 S449 F452	L444-K446 HydrophobicContact CB-CB 4.49Å; L444-K446 PolarHBondContact O-N 3.19Å; L444-K446 VanDerWaalsContact O-N 3.15Å; K446-I448 VanDerWaalsContact C-N 3.28Å; K446-S449 WeakPolarHBondContact CA-O 3.29Å; K446-S449 CarbonylContact O-C 3.56Å; K446-F452 VanDerWaalsContact CG-O 3.27Å; K446-F452 WeakPolarHBondContact CG-O 3.01Å
447	T	92.9	Very high	86.5	Confident	64 Å²	64	72.1 Å²	72.1	39%	0.393	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-71.6	-24.9	173.1	64.2	0	0	0	0	112.4	L444 I445 K485	L444-T447 HydrophobicContact CB-CG2 4.32Å; L444-T447 WeakPolarHBondContact O-CB 3.42Å; L444-T447 WeakPolarHBondContact O-CG2 3.46Å; L444-T447 PolarHBondContact O-N 3.14Å; L444-T447 PolarHBondContact O-OG1 3.36Å; I445-T447 PolarHBondContact O-N 3.36Å; I445-T447 VanDerWaalsContact O-N 3.07Å; T447-K485 WeakPolarHBondContact O-CE 3.37Å; T447-K485 PolarHBondContact O-NZ 3.05Å
448	I	94	Very high	88.2	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.015	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-50.3	175.2	-52	176.1	0	0	0	109.8	F424 F429 I445 K446 F452 I469 L478 M484 K485 V486	F424-I448 HydrophobicContact CE1-CD1 3.87Å; F429-I448 HydrophobicContact CD1-CD1 4.32Å; F429-I448 HydrophobicContact CE1-CD1 4.14Å; F429-I448 HydrophobicContact CE1-CG1 4.17Å; F429-I448 HydrophobicContact CZ-CD1 4.37Å; F429-I448 HydrophobicContact CZ-CG1 4.36Å; I445-I448 WeakPolarHBondContact O-CB 3.43Å; I445-I448 PolarHBondContact O-N 3.34Å; K446-I448 VanDerWaalsContact C-N 3.28Å; I448-F452 HydrophobicContact CB-CD2 4.12Å; I448-F452 HydrophobicContact CB-CE2 3.95Å; I448-F452 HydrophobicContact CG2-CD2 4.44Å; I448-F452 HydrophobicContact CG2-CE2 3.77Å; I448-I469 HydrophobicContact CD1-CD1 4.2Å; I448-I469 HydrophobicContact CG2-CD1 4.43Å; I448-L478 HydrophobicContact CG2-CD2 3.66Å; I448-M484 WeakPolarHBondContact CA-O 3.45Å; I448-M484 HydrophobicContact CD1-CB 4.34Å; I448-M484 HydrophobicContact CD1-SD 4.17Å; I448-M484 HydrophobicContact CG1-CB 3.98Å; I448-M484 HydrophobicContact CG2-CB 4.22Å; I448-K485 WeakPolarHBondContact O-CD 3.3Å; I448-V486 HydrophobicContact CG2-CG2 4.34Å; I448-V486 PolarHBondContact O-N 3.44Å
449	S	91.4	Very high	90.3	Very high	16 Å²	16	56 Å²	56	11%	0.112	31%	0.305	C	S	.	.			trans	-152	138.4	173.1	178.3	0	0	0	0	110.6	I445 K446 N451 F452	I445-S449 PolarHBondContact O-N 3.2Å; K446-S449 WeakPolarHBondContact CA-O 3.29Å; K446-S449 CarbonylContact O-C 3.56Å; S449-N451 PolarHBondContact O-N 3.05Å; S449-N451 VanDerWaalsContact O-N 3.16Å; S449-N451 PolarHBondContact OG-N 3.01Å; S449-F452 PolarHBondContact O-N 3.17Å
450	S	89.2	Confident	92	Very high	91 Å²	91	53.7 Å²	53.7	64%	0.636	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.9	174	49.2	0	0	0	0	113	F452	S450-F452 VanDerWaalsContact C-N 3.25Å; S450-F452 PolarHBondContact O-N 3.03Å
451	N	87	Confident	92.9	Very high	85 Å²	85	47.9 Å²	47.9	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.9	-179.3	-62.6	-2.6	0	0	0	112.5	S449 T453	S449-N451 PolarHBondContact O-N 3.05Å; S449-N451 VanDerWaalsContact O-N 3.16Å; S449-N451 PolarHBondContact OG-N 3.01Å; N451-T453 PolarHBondContact O-N 3.27Å; N451-T453 VanDerWaalsContact O-N 3.08Å
452	F	92.1	Very high	93.2	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	25%	0.253	C	S	.	.			trans	-79.1	93.9	176.7	-60.4	-28.1	0	0	0	110.4	I445 K446 I448 S449 S450 I456 I469 A471 Y476 V486	I445-F452 HydrophobicContact CB-CB 4.26Å; I445-F452 HydrophobicContact CB-CD2 4.47Å; I445-F452 HydrophobicContact CD1-CB 3.79Å; I445-F452 HydrophobicContact CG1-CB 3.79Å; K446-F452 VanDerWaalsContact CG-O 3.27Å; K446-F452 WeakPolarHBondContact CG-O 3.01Å; I448-F452 HydrophobicContact CB-CD2 4.12Å; I448-F452 HydrophobicContact CB-CE2 3.95Å; I448-F452 HydrophobicContact CG2-CD2 4.44Å; I448-F452 HydrophobicContact CG2-CE2 3.77Å; S449-F452 PolarHBondContact O-N 3.17Å; S450-F452 VanDerWaalsContact C-N 3.25Å; S450-F452 PolarHBondContact O-N 3.03Å; F452-I456 HydrophobicContact CD2-CD1 4.28Å; F452-I456 HydrophobicContact CE2-CD1 4.37Å; F452-I469 HydrophobicContact CE1-CG2 4.05Å; F452-I469 HydrophobicContact CE2-CD1 4.08Å; F452-I469 HydrophobicContact CE2-CG2 4.22Å; F452-I469 HydrophobicContact CZ-CB 4.39Å; F452-I469 HydrophobicContact CZ-CD1 4.36Å; F452-I469 HydrophobicContact CZ-CG2 3.6Å; F452-A471 HydrophobicContact CD1-CB 4.3Å; F452-A471 HydrophobicContact CE1-CB 4.24Å; F452-Y476 HydrophobicContact CE1-CD1 4.15Å; F452-Y476 AromaticContact CE1-CD2 3.65Å; F452-Y476 HydrophobicContact CE1-CD2 3.65Å; F452-Y476 HydrophobicContact CE1-CE1 4.05Å; F452-Y476 AromaticContact CE1-CE2 3.59Å; F452-Y476 HydrophobicContact CE1-CE2 3.59Å; F452-Y476 AromaticContact CE1-CG 3.94Å; F452-Y476 HydrophobicContact CE1-CG 3.94Å; F452-Y476 AromaticContact CE1-CZ 3.76Å; F452-Y476 HydrophobicContact CZ-CD1 4.3Å; F452-Y476 HydrophobicContact CZ-CD2 4.01Å; F452-Y476 HydrophobicContact CZ-CE2 4.39Å; F452-Y476 AromaticContact CZ-CG 3.96Å; F452-Y476 HydrophobicContact CZ-CG 3.96Å; F452-V486 HydrophobicContact CE2-CG2 4.04Å; F452-V486 HydrophobicContact CZ-CG2 3.74Å
453	T	85	Confident	92.3	Very high	91 Å²	91	48 Å²	48	56%	0.558	26%	0.258	S	S	*	.			trans	-95.4	-29	-173.4	56.2	0	0	0	0	114.1	K427 N451	K427-T453 VanDerWaalsContact CE-O 3.27Å; K427-T453 WeakPolarHBondContact CE-O 3.43Å; N451-T453 PolarHBondContact O-N 3.27Å; N451-T453 VanDerWaalsContact O-N 3.08Å
454	S	91	Very high	91.5	Very high	71 Å²	71	43.9 Å²	43.9	50%	0.497	25%	0.246	S	C	.	.	S	Bend	trans	-116.1	-81	-172.7	54	0	0	0	0	112.6	G426 K427	G426-S454 CarbonylContact C-O 3.56Å; G426-S454 VanDerWaalsContact C-O 3.29Å; K427-S454 VanDerWaalsContact CG-O 3.31Å; K427-S454 WeakPolarHBondContact CG-O 3.44Å
455	K	95.9	Very high	90.7	Very high	80 Å²	80	42 Å²	42	35%	0.348	25%	0.246	S	C	.	.			trans	-147.4	171.6	179.4	63.2	167.8	176.9	137.6	0	110.4	D410 G426 D457	D410-K455 HydrophobicContact CB-CD 4.23Å; D410-K455 WeakPolarHBondContact OD1-CD 3.36Å; D410-K455 IonicContact OD1-NZ 2.73Å; G426-K455 WeakPolarHBondContact O-CA 3.17Å; K455-D457 WeakPolarHBondContact CE-OD1 3.32Å; K455-D457 IonicContact NZ-OD1 3.78Å; K455-D457 PolarHBondContact NZ-OD1 3.4Å
456	I	97.7	Very high	90.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.252	C	S	.	.			trans	-105.4	126.6	167.2	-73.9	159	0	0	0	105.8	D410 A411 F424 I445 F452 A458 A459 I469	D410-I456 WeakPolarHBondContact CB-O 3.32Å; A411-I456 HydrophobicContact CB-CG2 3.84Å; F424-I456 HydrophobicContact CB-CB 4.45Å; F424-I456 HydrophobicContact CD1-CB 4.43Å; F424-I456 HydrophobicContact CD1-CD1 3.38Å; F424-I456 HydrophobicContact CD1-CG1 4.5Å; F424-I456 HydrophobicContact CE1-CD1 3.63Å; F424-I456 HydrophobicContact CG-CB 4.47Å; F424-I456 HydrophobicContact CG-CD1 4.2Å; F424-I456 HydrophobicContact CG-CG2 4.49Å; I445-I456 HydrophobicContact CB-CD1 4.11Å; I445-I456 HydrophobicContact CG2-CD1 3.82Å; F452-I456 HydrophobicContact CD2-CD1 4.28Å; F452-I456 HydrophobicContact CE2-CD1 4.37Å; I456-A458 VanDerWaalsContact CG2-O 3.29Å; I456-A458 WeakPolarHBondContact CG2-O 3.11Å; I456-A459 HydrophobicContact CG2-CB 4.4Å; I456-I469 HydrophobicContact CB-CG2 4.39Å; I456-I469 HydrophobicContact CD1-CD1 3.68Å; I456-I469 HydrophobicContact CD1-CG1 4.48Å; I456-I469 HydrophobicContact CD1-CG2 4.2Å; I456-I469 HydrophobicContact CG1-CD1 4.43Å; I456-I469 HydrophobicContact CG1-CG2 3.81Å; I456-I469 HydrophobicContact CG2-CG1 4.36Å; I456-I469 HydrophobicContact CG2-CG2 3.78Å
457	D	97.9	Very high	90.1	Very high	17 Å²	17	38 Å²	38	9%	0.091	23%	0.229	C	C	.	.			trans	-88.2	-27.8	-174.1	-61.6	-67.4	0	0	0	112.9	V315 L316 D410 K455 F470 A471 G472	V315-D457 HydrophobicContact CG1-CB 4.36Å; L316-D457 WeakPolarHBondContact O-CB 3.36Å; D410-D457 CarbonylContact O-C 3.57Å; K455-D457 WeakPolarHBondContact CE-OD1 3.32Å; K455-D457 IonicContact NZ-OD1 3.78Å; K455-D457 PolarHBondContact NZ-OD1 3.4Å; D457-F470 PolarHBondContact N-O 3.42Å; D457-A471 WeakPolarHBondContact OD2-CA 3.45Å; D457-G472 PolarHBondContact OD2-N 3.35Å
458	A	98.4	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.3	169.9	0	0	0	0	0	110.4	L316 I319 I456 F470	L316-A458 HydrophobicContact CB-CB 4.31Å; I319-A458 HydrophobicContact CG2-CB 3.91Å; I456-A458 VanDerWaalsContact CG2-O 3.29Å; I456-A458 WeakPolarHBondContact CG2-O 3.11Å; A458-F470 HydrophobicContact CB-CB 4.02Å; A458-F470 HydrophobicContact CB-CD2 4.09Å; A458-F470 HydrophobicContact CB-CG 4.31Å; A458-F470 PolarHBondContact N-O 2.84Å; A458-F470 PolarHBondContact O-N 3.43Å
459	A	98.2	Very high	90.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.9	173.4	0	0	0	0	0	108.2	A411 A412 M413 F424 I456 Y468 I469	A411-A459 HydrophobicContact CB-CB 3.97Å; A412-A459 CarbonylContact O-C 3.58Å; M413-A459 HydrophobicContact CB-CB 4.03Å; M413-A459 HydrophobicContact CG-CB 4.17Å; M413-A459 HydrophobicContact SD-CB 4.12Å; F424-A459 HydrophobicContact CD2-CB 4.34Å; F424-A459 HydrophobicContact CE2-CB 4.09Å; I456-A459 HydrophobicContact CG2-CB 4.4Å; A459-Y468 CarbonylContact C-O 3.49Å; A459-Y468 VanDerWaalsContact CA-O 3.24Å; A459-Y468 WeakPolarHBondContact CA-O 3.2Å; A459-I469 HydrophobicContact CB-CG1 4.11Å
460	F	96.9	Very high	90.7	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	168.9	172.7	79.1	-50.2	0	0	0	112.5	I319 V321 T327 W462 N467 Y468 F470 W498	I319-F460 HydrophobicContact CD1-CD1 4.4Å; I319-F460 HydrophobicContact CD1-CE1 3.85Å; I319-F460 HydrophobicContact CD1-CE2 4.17Å; I319-F460 HydrophobicContact CD1-CZ 3.72Å; I319-F460 HydrophobicContact CG1-CD1 4.46Å; I319-F460 HydrophobicContact CG1-CD2 4.32Å; I319-F460 HydrophobicContact CG1-CE1 4.35Å; I319-F460 HydrophobicContact CG1-CE2 4.18Å; I319-F460 HydrophobicContact CG1-CG 4.45Å; I319-F460 HydrophobicContact CG1-CZ 4.2Å; I319-F460 HydrophobicContact CG2-CB 4.11Å; I319-F460 HydrophobicContact CG2-CD1 3.56Å; I319-F460 HydrophobicContact CG2-CD2 4.5Å; I319-F460 HydrophobicContact CG2-CE1 4.05Å; I319-F460 HydrophobicContact CG2-CG 3.83Å; I319-F460 WeakPolarHBondContact O-CB 3.25Å; V321-F460 HydrophobicContact CG2-CD2 3.93Å; V321-F460 HydrophobicContact CG2-CE2 3.86Å; T327-F460 HydrophobicContact CG2-CE2 3.81Å; T327-F460 HydrophobicContact CG2-CZ 4.29Å; F460-W462 HydrophobicContact CD2-CB 4.48Å; F460-W462 HydrophobicContact CE2-CB 3.77Å; F460-W462 AromaticContact CE2-CD1 3.53Å; F460-W462 AromaticContact CE2-CG 3.81Å; F460-W462 HydrophobicContact CE2-CG 3.81Å; F460-W462 HydrophobicContact CZ-CB 3.81Å; F460-W462 AromaticContact CZ-CD1 3.89Å; F460-W462 AromaticContact CZ-CG 3.83Å; F460-W462 HydrophobicContact CZ-CG 3.83Å; F460-N467 WeakPolarHBondContact O-CA 3.27Å; F460-Y468 AromaticContact CE1-CD2 3.96Å; F460-Y468 HydrophobicContact CE1-CD2 3.96Å; F460-Y468 HydrophobicContact CE1-CG 4.09Å; F460-Y468 HydrophobicContact CZ-CD2 4.44Å; F460-Y468 PolarHBondContact N-O 2.91Å; F460-Y468 PolarHBondContact O-N 3.22Å; F460-F470 AromaticContact CD1-CE2 3.83Å; F460-F470 HydrophobicContact CD1-CE2 3.83Å; F460-F470 AromaticContact CE1-CE2 3.62Å; F460-F470 HydrophobicContact CE1-CE2 3.62Å; F460-F470 AromaticContact CE1-CZ 3.98Å; F460-F470 HydrophobicContact CE1-CZ 3.98Å; F460-W498 AromaticContact CE1-CH2 3.72Å; F460-W498 HydrophobicContact CE1-CH2 3.72Å; F460-W498 HydrophobicContact CE1-CZ2 4.23Å; F460-W498 HydrophobicContact CE1-CZ3 4.27Å; F460-W498 AromaticContact CZ-CH2 3.4Å; F460-W498 HydrophobicContact CZ-CH2 3.4Å; F460-W498 HydrophobicContact CZ-CZ2 4.33Å; F460-W498 AromaticContact CZ-CZ3 3.64Å; F460-W498 HydrophobicContact CZ-CZ3 3.64Å
461	T	92.3	Very high	91	Very high	38 Å²	38	30.5 Å²	30.5	23%	0.233	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122	165.9	-44.4	0	0	0	0	107.7	I414 N467	I414-T461 PolarHBondContact O-OG1 3.44Å; T461-N467 PolarHBondContact OG1-ND2 3.11Å
462	W	87.1	Confident	91.4	Very high	35 Å²	35	27.5 Å²	27.5	13%	0.133	17%	0.169	C	C	.	.			trans	-85.2	169.6	179.2	-162	26.6	0	0	0	111.3	Y203 T327 F460 N464 G465 K466 Y468 W498	Y203-W462 HydrophobicContact CD1-CZ3 4.21Å; Y203-W462 AromaticContact CE1-CE3 3.65Å; Y203-W462 HydrophobicContact CE1-CE3 3.65Å; Y203-W462 HydrophobicContact CE1-CH2 4.36Å; Y203-W462 AromaticContact CE1-CZ3 3.29Å; Y203-W462 HydrophobicContact CE1-CZ3 3.29Å; Y203-W462 AromaticContact CZ-CZ3 3.89Å; T327-W462 PolarHBondContact OG1-NE1 3.27Å; F460-W462 HydrophobicContact CD2-CB 4.48Å; F460-W462 HydrophobicContact CE2-CB 3.77Å; F460-W462 AromaticContact CE2-CD1 3.53Å; F460-W462 AromaticContact CE2-CG 3.81Å; F460-W462 HydrophobicContact CE2-CG 3.81Å; F460-W462 HydrophobicContact CZ-CB 3.81Å; F460-W462 AromaticContact CZ-CD1 3.89Å; F460-W462 AromaticContact CZ-CG 3.83Å; F460-W462 HydrophobicContact CZ-CG 3.83Å; W462-N464 PolarHBondContact O-N 2.95Å; W462-N464 VanDerWaalsContact O-N 3.13Å; W462-G465 PolarHBondContact O-N 3.03Å; W462-K466 PolarHBondContact N-O 3Å; W462-Y468 HydrophobicContact CB-CD2 3.93Å; W462-Y468 HydrophobicContact CB-CE2 3.7Å; W462-Y468 AromaticContact CE3-CE2 3.99Å; W462-Y468 HydrophobicContact CE3-CE2 3.99Å; W462-W498 HydrophobicContact CD2-CH2 4.02Å; W462-W498 HydrophobicContact CD2-CZ3 4.26Å; W462-W498 AromaticContact CE3-CH2 3.86Å; W462-W498 HydrophobicContact CE3-CH2 3.86Å; W462-W498 HydrophobicContact CE3-CZ3 4.38Å; W462-W498 HydrophobicContact CH2-CH2 4.47Å; W462-W498 HydrophobicContact CH2-CZ3 4.35Å; W462-W498 HydrophobicContact CZ2-CZ3 4.24Å; W462-W498 HydrophobicContact CZ3-CH2 4.05Å; W462-W498 HydrophobicContact CZ3-CZ3 4.38Å
463	T	75.1	Confident	91.4	Very high	81 Å²	81	30 Å²	30	50%	0.497	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.1	-178.4	48.5	0	0	0	0	113.1	V321 G325 G465	V321-T463 HydrophobicContact CG1-CG2 3.7Å; V321-T463 HydrophobicContact CG2-CG2 4.23Å; G325-T463 WeakPolarHBondContact O-CG2 3.49Å; T463-G465 PolarHBondContact O-N 2.9Å
464	N	74.7	Confident	91.8	Very high	44 Å²	44	27.6 Å²	27.6	24%	0.235	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	3.8	172.6	73.7	-8.8	0	0	0	114.3	Y203 W462 K466 Y468	Y203-N464 HydrophobicContact CE1-CB 4.47Å; Y203-N464 WeakPolarHBondContact CE1-ND2 3.46Å; Y203-N464 VanDerWaalsContact CZ-ND2 3.35Å; Y203-N464 PolarHBondContact OH-ND2 2.77Å; W462-N464 PolarHBondContact O-N 2.95Å; W462-N464 VanDerWaalsContact O-N 3.13Å; N464-K466 PolarHBondContact O-N 3.45Å; N464-K466 WeakPolarHBondContact OD1-CB 3.46Å; N464-K466 PolarHBondContact OD1-N 3.33Å; N464-Y468 PolarHBondContact ND2-OH 3.04Å
465	G	77.7	Confident	92	Very high	41 Å²	41	24.2 Å²	24.2	42%	0.423	14%	0.143	S	C	.	.	S	Bend	trans	73.4	8.7	-179.7	0	0	0	0	0	114.8	A416 W462 T463	A416-G465 WeakPolarHBondContact CB-O 3.29Å; W462-G465 PolarHBondContact O-N 3.03Å; T463-G465 PolarHBondContact O-N 2.9Å
466	K	83.2	Confident	91.9	Very high	31 Å²	31	20.9 Å²	20.9	14%	0.135	13%	0.129	C	C	.	.			trans	-101.5	153.7	178.2	-48.7	-59	178.3	177.6	0	110.5	E186 W462 N464 Y468	E186-K466 IonicContact OE1-NZ 3.15Å; E186-K466 PolarHBondContact OE1-NZ 3.2Å; W462-K466 PolarHBondContact N-O 3Å; N464-K466 PolarHBondContact O-N 3.45Å; N464-K466 WeakPolarHBondContact OD1-CB 3.46Å; N464-K466 PolarHBondContact OD1-N 3.33Å; K466-Y468 HydrophobicContact CB-CE2 3.93Å
467	N	94.4	Very high	91.6	Very high	2 Å²	2	21 Å²	21	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.9	179.9	-70.7	113.1	0	0	0	111.7	M413 I414 W415 A416 F460 T461 L478	M413-N467 HydrophobicContact SD-CB 4.14Å; I414-N467 PolarHBondContact O-ND2 3.23Å; W415-N467 HydrophobicContact CE3-CB 3.9Å; W415-N467 HydrophobicContact CH2-CB 4.48Å; W415-N467 HydrophobicContact CZ3-CB 3.44Å; W415-N467 VanDerWaalsContact CZ3-CB 3.44Å; W415-N467 VanDerWaalsContact CZ3-CG 3.45Å; W415-N467 WeakPolarHBondContact CZ3-OD1 3.44Å; A416-N467 WeakPolarHBondContact CB-OD1 3.14Å; A416-N467 PolarHBondContact N-OD1 2.9Å; F460-N467 WeakPolarHBondContact O-CA 3.27Å; T461-N467 PolarHBondContact OG1-ND2 3.11Å; N467-L478 HydrophobicContact CB-CB 4.05Å; N467-L478 HydrophobicContact CB-CD1 4.22Å; N467-L478 HydrophobicContact CB-CG 4.46Å; N467-L478 PolarHBondContact O-N 3.2Å
468	Y	95.6	Very high	91.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.4	179.1	-61	-90.5	0	0	0	110.9	Y203 A459 F460 W462 N464 K466 Y475 Y476 R477 W498	Y203-Y468 WeakPolarHBondContact CD1-OH 3.42Å; Y203-Y468 VanDerWaalsContact CE1-OH 3.29Å; Y203-Y468 WeakPolarHBondContact CE1-OH 3.38Å; A459-Y468 CarbonylContact C-O 3.49Å; A459-Y468 VanDerWaalsContact CA-O 3.24Å; A459-Y468 WeakPolarHBondContact CA-O 3.2Å; F460-Y468 AromaticContact CE1-CD2 3.96Å; F460-Y468 HydrophobicContact CE1-CD2 3.96Å; F460-Y468 HydrophobicContact CE1-CG 4.09Å; F460-Y468 HydrophobicContact CZ-CD2 4.44Å; F460-Y468 PolarHBondContact N-O 2.91Å; F460-Y468 PolarHBondContact O-N 3.22Å; W462-Y468 HydrophobicContact CB-CD2 3.93Å; W462-Y468 HydrophobicContact CB-CE2 3.7Å; W462-Y468 AromaticContact CE3-CE2 3.99Å; W462-Y468 HydrophobicContact CE3-CE2 3.99Å; N464-Y468 PolarHBondContact ND2-OH 3.04Å; K466-Y468 HydrophobicContact CB-CE2 3.93Å; Y468-Y475 AromaticContact CD1-CD2 3.93Å; Y468-Y475 HydrophobicContact CD1-CD2 3.93Å; Y468-Y475 HydrophobicContact CD1-CE2 4.12Å; Y468-Y475 HydrophobicContact CE1-CD2 4.5Å; Y468-Y475 HydrophobicContact CE1-CE2 4.23Å; Y468-Y476 CarbonylContact C-O 3.51Å; Y468-Y476 VanDerWaalsContact CA-O 3.29Å; Y468-Y476 WeakPolarHBondContact CA-O 3.2Å; Y468-R477 HydrophobicContact CD1-CB 4.01Å; Y468-R477 HydrophobicContact CD1-CG 4.25Å; Y468-R477 HydrophobicContact CE1-CB 3.83Å; Y468-R477 HydrophobicContact CE1-CG 3.81Å; Y468-W498 HydrophobicContact CD1-CZ2 4.08Å; Y468-W498 HydrophobicContact CE1-CZ2 4.38Å; Y468-W498 HydrophobicContact CG-CZ2 4.21Å
469	I	97.5	Very high	90.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.3	173.5	-81.2	-179.4	0	0	0	108.2	F424 I448 F452 I456 A459 Y475 Y476 L478	F424-I469 HydrophobicContact CE1-CD1 4.49Å; I448-I469 HydrophobicContact CD1-CD1 4.2Å; I448-I469 HydrophobicContact CG2-CD1 4.43Å; F452-I469 HydrophobicContact CE1-CG2 4.05Å; F452-I469 HydrophobicContact CE2-CD1 4.08Å; F452-I469 HydrophobicContact CE2-CG2 4.22Å; F452-I469 HydrophobicContact CZ-CB 4.39Å; F452-I469 HydrophobicContact CZ-CD1 4.36Å; F452-I469 HydrophobicContact CZ-CG2 3.6Å; I456-I469 HydrophobicContact CB-CG2 4.39Å; I456-I469 HydrophobicContact CD1-CD1 3.68Å; I456-I469 HydrophobicContact CD1-CG1 4.48Å; I456-I469 HydrophobicContact CD1-CG2 4.2Å; I456-I469 HydrophobicContact CG1-CD1 4.43Å; I456-I469 HydrophobicContact CG1-CG2 3.81Å; I456-I469 HydrophobicContact CG2-CG1 4.36Å; I456-I469 HydrophobicContact CG2-CG2 3.78Å; A459-I469 HydrophobicContact CB-CG1 4.11Å; I469-Y475 CarbonylContact O-C 3.5Å; I469-Y475 VanDerWaalsContact O-CA 3.24Å; I469-Y475 WeakPolarHBondContact O-CA 3.4Å; I469-Y476 HydrophobicContact CG2-CD2 4.27Å; I469-Y476 PolarHBondContact N-O 2.99Å; I469-Y476 PolarHBondContact O-N 3Å; I469-L478 HydrophobicContact CD1-CD1 3.63Å; I469-L478 HydrophobicContact CD1-CD2 4.04Å; I469-L478 HydrophobicContact CD1-CG 4.2Å; I469-L478 HydrophobicContact CG1-CD1 3.88Å; I469-L478 HydrophobicContact CG1-CD2 4.5Å; I469-L478 HydrophobicContact CG1-CG 4.3Å
470	F	97.4	Very high	89.5	Confident	1 Å²	1	22 Å²	22	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.5	172.9	-60.8	-102.8	0	0	0	107.9	L316 I319 D457 A458 F460 Y474 Y475 T494 W498	L316-F470 HydrophobicContact CD1-CD1 3.9Å; L316-F470 HydrophobicContact CD1-CE1 4Å; L316-F470 HydrophobicContact CD1-CG 4.32Å; I319-F470 HydrophobicContact CD1-CE2 4.23Å; I319-F470 HydrophobicContact CD1-CZ 3.93Å; I319-F470 HydrophobicContact CG2-CD2 3.92Å; I319-F470 HydrophobicContact CG2-CE2 3.63Å; I319-F470 HydrophobicContact CG2-CZ 4.34Å; D457-F470 PolarHBondContact N-O 3.42Å; A458-F470 HydrophobicContact CB-CB 4.02Å; A458-F470 HydrophobicContact CB-CD2 4.09Å; A458-F470 HydrophobicContact CB-CG 4.31Å; A458-F470 PolarHBondContact N-O 2.84Å; A458-F470 PolarHBondContact O-N 3.43Å; F460-F470 AromaticContact CD1-CE2 3.83Å; F460-F470 HydrophobicContact CD1-CE2 3.83Å; F460-F470 AromaticContact CE1-CE2 3.62Å; F460-F470 HydrophobicContact CE1-CE2 3.62Å; F460-F470 AromaticContact CE1-CZ 3.98Å; F460-F470 HydrophobicContact CE1-CZ 3.98Å; F470-Y474 CarbonylContact C-O 3.5Å; F470-Y474 WeakPolarHBondContact CA-O 3.33Å; F470-Y475 HydrophobicContact CE1-CG 4.28Å; F470-T494 HydrophobicContact CD1-CG2 3.82Å; F470-T494 HydrophobicContact CE1-CG2 3.88Å; F470-W498 AromaticContact CE1-CD1 3.86Å; F470-W498 HydrophobicContact CE1-CD2 4.19Å; F470-W498 AromaticContact CE1-CE2 3.87Å; F470-W498 HydrophobicContact CE1-CG 4.17Å; F470-W498 HydrophobicContact CE1-CZ2 4.49Å; F470-W498 AromaticContact CE1-NE1 3.64Å; F470-W498 HydrophobicContact CZ-CD2 4.03Å; F470-W498 AromaticContact CZ-CE2 3.58Å; F470-W498 HydrophobicContact CZ-CG 4.49Å; F470-W498 HydrophobicContact CZ-CH2 4.39Å; F470-W498 AromaticContact CZ-CZ2 3.77Å; F470-W498 HydrophobicContact CZ-CZ2 3.77Å; F470-W498 AromaticContact CZ-NE1 3.8Å
471	A	96.4	Very high	88.5	Confident	16 Å²	16	28 Å²	28	13%	0.132	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	113.8	176.6	0	0	0	0	0	108.6	F452 D457 Y474 Y476	F452-A471 HydrophobicContact CD1-CB 4.3Å; F452-A471 HydrophobicContact CE1-CB 4.24Å; D457-A471 WeakPolarHBondContact OD2-CA 3.45Å; A471-Y474 PolarHBondContact N-O 3.24Å; A471-Y474 PolarHBondContact O-N 2.98Å; A471-Y476 HydrophobicContact CB-CE2 4.03Å
472	G	94.3	Very high	87.9	Confident	22 Å²	22	35.1 Å²	35.1	23%	0.227	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-142.1	-167.9	0	0	0	0	0	111.7	D457 Y474	D457-G472 PolarHBondContact OD2-N 3.35Å; G472-Y474 PolarHBondContact O-N 3.44Å; G472-Y474 VanDerWaalsContact O-N 3.12Å
473	P	92.8	Very high	87.8	Confident	56 Å²	56	37.5 Å²	37.5	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	11.5	-179.6	35.1	-36.7	0	0	0	112.6	T494	P473-T494 WeakPolarHBondContact O-CB 3.4Å; P473-T494 PolarHBondContact O-N 3.37Å; P473-T494 PolarHBondContact O-OG1 2.97Å
474	Y	93.8	Very high	88.5	Confident	40 Å²	40	34.2 Å²	34.2	16%	0.157	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.6	-171.7	-59.4	-64.1	0	0	0	112.5	F470 A471 G472 P491 R492 T494 I507 E508	F470-Y474 CarbonylContact C-O 3.5Å; F470-Y474 WeakPolarHBondContact CA-O 3.33Å; A471-Y474 PolarHBondContact N-O 3.24Å; A471-Y474 PolarHBondContact O-N 2.98Å; G472-Y474 PolarHBondContact O-N 3.44Å; G472-Y474 VanDerWaalsContact O-N 3.12Å; Y474-P491 HydrophobicContact CD1-CB 4.09Å; Y474-P491 HydrophobicContact CG-CB 3.88Å; Y474-R492 CarbonylContact C-O 3.6Å; Y474-R492 WeakPolarHBondContact CA-O 3.25Å; Y474-T494 VanDerWaalsContact C-OG1 3.25Å; Y474-T494 PolarHBondContact N-OG1 3.25Å; Y474-I507 HydrophobicContact CE1-CG2 4.23Å; Y474-E508 PolarHBondContact OH-O 3.39Å; Y474-E508 VanDerWaalsContact OH-O 3.09Å
475	Y	94.1	Very high	89.2	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.6	170	83.7	-78.6	0	0	0	112	Q202 Y468 I469 F470 Y490 R492 T494 W497 W498	Q202-Y475 PolarHBondContact O-OH 3.36Å; Y468-Y475 AromaticContact CD1-CD2 3.93Å; Y468-Y475 HydrophobicContact CD1-CD2 3.93Å; Y468-Y475 HydrophobicContact CD1-CE2 4.12Å; Y468-Y475 HydrophobicContact CE1-CD2 4.5Å; Y468-Y475 HydrophobicContact CE1-CE2 4.23Å; I469-Y475 CarbonylContact O-C 3.5Å; I469-Y475 VanDerWaalsContact O-CA 3.24Å; I469-Y475 WeakPolarHBondContact O-CA 3.4Å; F470-Y475 HydrophobicContact CE1-CG 4.28Å; Y475-Y490 HydrophobicContact CD2-CE1 4.06Å; Y475-Y490 HydrophobicContact CE2-CD1 4.42Å; Y475-Y490 AromaticContact CE2-CE1 3.61Å; Y475-Y490 HydrophobicContact CE2-CE1 3.61Å; Y475-Y490 WeakPolarHBondContact O-CD1 3.38Å; Y475-R492 HydrophobicContact CD1-CB 3.75Å; Y475-R492 VanDerWaalsContact CD1-O 3.31Å; Y475-R492 WeakPolarHBondContact CD1-O 3.2Å; Y475-R492 HydrophobicContact CE1-CB 3.21Å; Y475-R492 HydrophobicContact CE1-CG 4.28Å; Y475-R492 PolarHBondContact N-O 2.88Å; Y475-R492 PolarHBondContact O-N 3.43Å; Y475-R492 WeakPolarHBondContact OH-CD 3.48Å; Y475-T494 PolarHBondContact N-OG1 3.46Å; Y475-W497 HydrophobicContact CE1-CB 3.52Å; Y475-W497 AromaticContact CE1-CG 3.83Å; Y475-W497 HydrophobicContact CE1-CG 3.83Å; Y475-W498 AromaticContact CD1-CD1 3.7Å; Y475-W498 AromaticContact CD1-NE1 3.37Å; Y475-W498 HydrophobicContact CD2-CZ2 4.19Å; Y475-W498 AromaticContact CD2-NE1 3.33Å; Y475-W498 VanDerWaalsContact CD2-NE1 3.33Å; Y475-W498 AromaticContact CE1-CD1 3.88Å; Y475-W498 AromaticContact CE1-NE1 3.55Å; Y475-W498 HydrophobicContact CE2-CZ2 4.26Å; Y475-W498 AromaticContact CE2-NE1 3.49Å; Y475-W498 AromaticContact CG-NE1 3.27Å; Y475-W498 VanDerWaalsContact CG-NE1 3.27Å; Y475-W498 AromaticContact CZ-NE1 3.63Å
476	Y	94.4	Very high	89.8	Confident	10 Å²	10	36.4 Å²	36.4	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.5	-174.8	-57.6	-98.5	0	0	0	108.5	F452 Y468 I469 A471 V486 P491	F452-Y476 HydrophobicContact CE1-CD1 4.15Å; F452-Y476 AromaticContact CE1-CD2 3.65Å; F452-Y476 HydrophobicContact CE1-CD2 3.65Å; F452-Y476 HydrophobicContact CE1-CE1 4.05Å; F452-Y476 AromaticContact CE1-CE2 3.59Å; F452-Y476 HydrophobicContact CE1-CE2 3.59Å; F452-Y476 AromaticContact CE1-CG 3.94Å; F452-Y476 HydrophobicContact CE1-CG 3.94Å; F452-Y476 AromaticContact CE1-CZ 3.76Å; F452-Y476 HydrophobicContact CZ-CD1 4.3Å; F452-Y476 HydrophobicContact CZ-CD2 4.01Å; F452-Y476 HydrophobicContact CZ-CE2 4.39Å; F452-Y476 AromaticContact CZ-CG 3.96Å; F452-Y476 HydrophobicContact CZ-CG 3.96Å; Y468-Y476 CarbonylContact C-O 3.51Å; Y468-Y476 VanDerWaalsContact CA-O 3.29Å; Y468-Y476 WeakPolarHBondContact CA-O 3.2Å; I469-Y476 HydrophobicContact CG2-CD2 4.27Å; I469-Y476 PolarHBondContact N-O 2.99Å; I469-Y476 PolarHBondContact O-N 3Å; A471-Y476 HydrophobicContact CB-CE2 4.03Å; Y476-V486 HydrophobicContact CD1-CG1 3.8Å; Y476-V486 HydrophobicContact CD1-CG2 3.98Å; Y476-V486 HydrophobicContact CG-CG2 4.26Å; Y476-P491 HydrophobicContact CD1-CB 4.23Å; Y476-P491 HydrophobicContact CE1-CB 3.55Å; Y476-P491 HydrophobicContact CE1-CG 4.05Å; Y476-P491 HydrophobicContact CE2-CB 4.22Å
477	R	90.6	Very high	89.7	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.4	167.6	-173.1	177.8	162.4	-166.6	-7.4	110.3	D184 Y468 L487 Y490	D184-R477 PolarHBondContact O-NH2 3.12Å; D184-R477 VanDerWaalsContact O-NH2 3.13Å; Y468-R477 HydrophobicContact CD1-CB 4.01Å; Y468-R477 HydrophobicContact CD1-CG 4.25Å; Y468-R477 HydrophobicContact CE1-CB 3.83Å; Y468-R477 HydrophobicContact CE1-CG 3.81Å; R477-L487 HydrophobicContact CB-CD1 4.31Å; R477-L487 HydrophobicContact CG-CD1 3.83Å; R477-L487 PolarHBondContact O-N 3.41Å; R477-Y490 HydrophobicContact CB-CD1 4.49Å; R477-Y490 HydrophobicContact CB-CD2 4.21Å; R477-Y490 HydrophobicContact CB-CE1 3.77Å; R477-Y490 HydrophobicContact CB-CE2 3.48Å; R477-Y490 VanDerWaalsContact CB-CE2 3.48Å; R477-Y490 VanDerWaalsContact CB-OH 3.22Å; R477-Y490 WeakPolarHBondContact CB-OH 3.37Å; R477-Y490 WeakPolarHBondContact CD-OH 3.4Å
478	L	90.4	Very high	88.9	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-101.4	153.3	-179.9	-58.7	-175.3	0	0	0	112.8	M413 W415 I448 N467 I469 K485 V486	M413-L478 HydrophobicContact CE-CD1 3.68Å; M413-L478 HydrophobicContact SD-CD1 4.34Å; W415-L478 HydrophobicContact CE3-CD1 4.45Å; W415-L478 HydrophobicContact CH2-CB 3.66Å; W415-L478 HydrophobicContact CH2-CD1 4.07Å; W415-L478 HydrophobicContact CZ3-CB 3.68Å; W415-L478 HydrophobicContact CZ3-CD1 3.52Å; W415-L478 HydrophobicContact CZ3-CG 4.28Å; I448-L478 HydrophobicContact CG2-CD2 3.66Å; N467-L478 HydrophobicContact CB-CB 4.05Å; N467-L478 HydrophobicContact CB-CD1 4.22Å; N467-L478 HydrophobicContact CB-CG 4.46Å; N467-L478 PolarHBondContact O-N 3.2Å; I469-L478 HydrophobicContact CD1-CD1 3.63Å; I469-L478 HydrophobicContact CD1-CD2 4.04Å; I469-L478 HydrophobicContact CD1-CG 4.2Å; I469-L478 HydrophobicContact CG1-CD1 3.88Å; I469-L478 HydrophobicContact CG1-CD2 4.5Å; I469-L478 HydrophobicContact CG1-CG 4.3Å; L478-K485 CarbonylContact C-O 3.59Å; L478-K485 VanDerWaalsContact CA-O 3.27Å; L478-K485 WeakPolarHBondContact CA-O 3.41Å; L478-V486 HydrophobicContact CD2-CG2 3.92Å
479	S	84.5	Confident	87.8	Confident	7 Å²	7	40.9 Å²	40.9	5%	0.049	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-69.4	125.4	174	59.5	0	0	0	0	111.7	G183 W415 W481 V483 K485	G183-S479 WeakPolarHBondContact O-CA 3.44Å; G183-S479 WeakPolarHBondContact O-CB 3.37Å; W415-S479 WeakPolarHBondContact CH2-O 3.34Å; W415-S479 WeakPolarHBondContact CZ2-O 3.25Å; S479-W481 PolarHBondContact O-N 3.3Å; S479-V483 PolarHBondContact OG-O 2.81Å; S479-K485 PolarHBondContact N-O 3.09Å; S479-K485 PolarHBondContact OG-N 3.13Å; S479-K485 PolarHBondContact OG-O 3.12Å
480	G	75.9	Confident	87.3	Confident	28 Å²	28	42.2 Å²	42.2	29%	0.289	23%	0.225	S	C	.	.	S	Bend	trans	-71.5	30.7	179.6	0	0	0	0	0	115.9
481	W	76.3	Confident	87	Confident	131 Å²	131	43.2 Å²	43.2	50%	0.496	23%	0.232	S	C	.	.	S	Bend	trans	-110.7	176.1	-173	-163.5	-111	0	0	0	113	M181 W415 S479 V483	M181-W481 HydrophobicContact CE-CH2 4.48Å; M181-W481 HydrophobicContact CE-CZ3 3.95Å; M181-W481 HydrophobicContact CG-CH2 4.34Å; M181-W481 HydrophobicContact CG-CZ3 4.21Å; M181-W481 HydrophobicContact SD-CE3 4.04Å; M181-W481 HydrophobicContact SD-CH2 4.16Å; M181-W481 HydrophobicContact SD-CZ3 3.47Å; M181-W481 WeakPolarHBondContact SD-CZ3 3.22Å; W415-W481 VanDerWaalsContact CZ2-O 3.28Å; W415-W481 WeakPolarHBondContact CZ2-O 3.43Å; W415-W481 PolarHBondContact NE1-O 2.99Å; W415-W481 VanDerWaalsContact NE1-O 3.15Å; S479-W481 PolarHBondContact O-N 3.3Å; W481-V483 PolarHBondContact O-N 2.97Å
482	R	79.1	Confident	86.3	Confident	187 Å²	187	43.1 Å²	43.1	71%	0.706	23%	0.228	S	C	*	.	S	Bend	trans	-52.4	-32	178.8	-176.6	177.3	177.1	-176	1.1	113.5	Y417	Y417-R482 HydrophobicContact CD1-CB 4.4Å; Y417-R482 HydrophobicContact CE1-CB 3.9Å; Y417-R482 HydrophobicContact CE1-CG 4.01Å; Y417-R482 HydrophobicContact CE2-CB 4.07Å
483	V	84.8	Confident	86	Confident	84 Å²	84	43.1 Å²	43.1	51%	0.509	23%	0.225	S	C	.	.	S	Bend	trans	-106.3	123.9	177.7	-175.7	0	0	0	0	108.4	S479 W481 K485	S479-V483 PolarHBondContact OG-O 2.81Å; W481-V483 PolarHBondContact O-N 2.97Å; V483-K485 HydrophobicContact CG1-CG 4.16Å; V483-K485 PolarHBondContact O-N 3.35Å
484	M	90.5	Very high	85.9	Confident	12 Å²	12	40.4 Å²	40.4	6%	0.059	21%	0.207	C	C	.	.			trans	-66.1	117.6	170.5	-69.3	174.2	177.8	0	0	109.8	M413 W415 Y422 F429 I448	M413-M484 HydrophobicContact CE-CE 3.53Å; M413-M484 HydrophobicContact CE-SD 3.91Å; W415-M484 HydrophobicContact CB-CE 3.69Å; W415-M484 HydrophobicContact CD2-CE 3.38Å; W415-M484 HydrophobicContact CD2-CG 3.81Å; W415-M484 HydrophobicContact CD2-SD 4.44Å; W415-M484 VanDerWaalsContact CE2-CG 3.5Å; W415-M484 HydrophobicContact CE3-CE 3.58Å; W415-M484 HydrophobicContact CE3-CG 3.94Å; W415-M484 HydrophobicContact CE3-SD 4.43Å; W415-M484 HydrophobicContact CG-CE 3.42Å; W415-M484 VanDerWaalsContact CG-CE 3.42Å; W415-M484 HydrophobicContact CH2-CB 4.14Å; W415-M484 HydrophobicContact CH2-CG 3.58Å; W415-M484 HydrophobicContact CZ2-CB 4.1Å; W415-M484 HydrophobicContact CZ2-CG 3.4Å; W415-M484 VanDerWaalsContact CZ2-CG 3.4Å; W415-M484 HydrophobicContact CZ3-CE 4.34Å; W415-M484 HydrophobicContact CZ3-CG 3.84Å; Y422-M484 HydrophobicContact CD1-CE 3.42Å; Y422-M484 VanDerWaalsContact CD1-CE 3.42Å; Y422-M484 HydrophobicContact CD1-SD 4.34Å; Y422-M484 HydrophobicContact CD2-CE 3.79Å; Y422-M484 HydrophobicContact CE1-CE 3.48Å; Y422-M484 VanDerWaalsContact CE1-CE 3.48Å; Y422-M484 HydrophobicContact CE1-SD 4.38Å; Y422-M484 HydrophobicContact CE2-CE 3.89Å; Y422-M484 HydrophobicContact CG-CE 3.54Å; F429-M484 HydrophobicContact CE2-SD 3.99Å; I448-M484 WeakPolarHBondContact CA-O 3.45Å; I448-M484 HydrophobicContact CD1-CB 4.34Å; I448-M484 HydrophobicContact CD1-SD 4.17Å; I448-M484 HydrophobicContact CG1-CB 3.98Å; I448-M484 HydrophobicContact CG2-CB 4.22Å
485	K	90.7	Very high	85.6	Confident	101 Å²	101	38.5 Å²	38.5	44%	0.439	20%	0.2	S	C	.	.			trans	-137.5	147.6	171.9	-71.9	-62.5	-170.9	177.3	0	110.5	T447 I448 L478 S479 V483	T447-K485 WeakPolarHBondContact O-CE 3.37Å; T447-K485 PolarHBondContact O-NZ 3.05Å; I448-K485 WeakPolarHBondContact O-CD 3.3Å; L478-K485 CarbonylContact C-O 3.59Å; L478-K485 VanDerWaalsContact CA-O 3.27Å; L478-K485 WeakPolarHBondContact CA-O 3.41Å; S479-K485 PolarHBondContact N-O 3.09Å; S479-K485 PolarHBondContact OG-N 3.13Å; S479-K485 PolarHBondContact OG-O 3.12Å; V483-K485 HydrophobicContact CG1-CG 4.16Å; V483-K485 PolarHBondContact O-N 3.35Å
486	V	89.5	Confident	85	Confident	31 Å²	31	41.2 Å²	41.2	19%	0.188	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-69.9	136	168.7	167.1	0	0	0	0	109.7	I448 F452 Y476 L478	I448-V486 HydrophobicContact CG2-CG2 4.34Å; I448-V486 PolarHBondContact O-N 3.44Å; F452-V486 HydrophobicContact CE2-CG2 4.04Å; F452-V486 HydrophobicContact CZ-CG2 3.74Å; Y476-V486 HydrophobicContact CD1-CG1 3.8Å; Y476-V486 HydrophobicContact CD1-CG2 3.98Å; Y476-V486 HydrophobicContact CG-CG2 4.26Å; L478-V486 HydrophobicContact CD2-CG2 3.92Å
487	L	80.9	Confident	84.4	Confident	17 Å²	17	42.4 Å²	42.4	9%	0.089	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-76	156.4	174.9	-65.6	-179.3	0	0	0	112.2	G183 D184 R477 Y490	G183-L487 WeakPolarHBondContact O-CD2 3.48Å; D184-L487 HydrophobicContact CB-CD1 4.01Å; D184-L487 HydrophobicContact CB-CD2 4.23Å; R477-L487 HydrophobicContact CB-CD1 4.31Å; R477-L487 HydrophobicContact CG-CD1 3.83Å; R477-L487 PolarHBondContact O-N 3.41Å; L487-Y490 HydrophobicContact CB-CD2 4.16Å; L487-Y490 HydrophobicContact CB-CE2 4.21Å; L487-Y490 WeakPolarHBondContact O-CD2 3.44Å
488	P	77.1	Confident	84.1	Confident	75 Å²	75	43.1 Å²	43.1	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	153	168.3	-22.6	34.1	0	0	0	112.5	Y490	P488-Y490 WeakPolarHBondContact O-CD2 3.49Å
489	G	73.8	Confident	83.9	Confident	35 Å²	35	43.2 Å²	43.2	36%	0.361	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	12.5	179.7	0	0	0	0	0	115.8	R492	G489-R492 PolarHBondContact O-NE 3.43Å
490	Y	85.3	Confident	83.5	Confident	27 Å²	27	44.8 Å²	44.8	11%	0.106	24%	0.237	C	C	.	.			trans	-125	153.3	177.1	-66.3	-87.5	0	0	0	110.9	Y203 Y475 R477 L487 P488 R492	Y203-Y490 VanDerWaalsContact C-OH 3.25Å; Y203-Y490 PolarHBondContact O-OH 3.46Å; Y475-Y490 HydrophobicContact CD2-CE1 4.06Å; Y475-Y490 HydrophobicContact CE2-CD1 4.42Å; Y475-Y490 AromaticContact CE2-CE1 3.61Å; Y475-Y490 HydrophobicContact CE2-CE1 3.61Å; Y475-Y490 WeakPolarHBondContact O-CD1 3.38Å; R477-Y490 HydrophobicContact CB-CD1 4.49Å; R477-Y490 HydrophobicContact CB-CD2 4.21Å; R477-Y490 HydrophobicContact CB-CE1 3.77Å; R477-Y490 HydrophobicContact CB-CE2 3.48Å; R477-Y490 VanDerWaalsContact CB-CE2 3.48Å; R477-Y490 VanDerWaalsContact CB-OH 3.22Å; R477-Y490 WeakPolarHBondContact CB-OH 3.37Å; R477-Y490 WeakPolarHBondContact CD-OH 3.4Å; L487-Y490 HydrophobicContact CB-CD2 4.16Å; L487-Y490 HydrophobicContact CB-CE2 4.21Å; L487-Y490 WeakPolarHBondContact O-CD2 3.44Å; P488-Y490 WeakPolarHBondContact O-CD2 3.49Å; Y490-R492 HydrophobicContact CD1-CB 4.47Å; Y490-R492 HydrophobicContact CD1-CG 4.13Å; Y490-R492 HydrophobicContact CE1-CG 4.39Å
491	P	91.9	Very high	83.7	Confident	23 Å²	23	43.6 Å²	43.6	15%	0.149	22%	0.224	C	C	.	.			cis	-69.7	165.5	7.5	24	-30.4	0	0	0	115.4	Y474 Y476	Y474-P491 HydrophobicContact CD1-CB 4.09Å; Y474-P491 HydrophobicContact CG-CB 3.88Å; Y476-P491 HydrophobicContact CD1-CB 4.23Å; Y476-P491 HydrophobicContact CE1-CB 3.55Å; Y476-P491 HydrophobicContact CE1-CG 4.05Å; Y476-P491 HydrophobicContact CE2-CB 4.22Å
492	R	82.8	Confident	83.2	Confident	13 Å²	13	44.4 Å²	44.4	5%	0.049	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.5	168.4	-72.3	-176.6	175.7	-133.1	-19.8	111.1	N172 P201 G204 Y474 Y475 G489 Y490 T494	N172-R492 PolarHBondContact O-NH2 3.06Å; P201-R492 PolarHBondContact O-NH1 2.94Å; G204-R492 VanDerWaalsContact CA-NH1 3.29Å; G204-R492 VanDerWaalsContact CA-NH2 3.3Å; G204-R492 PolarHBondContact O-NH2 3.48Å; Y474-R492 CarbonylContact C-O 3.6Å; Y474-R492 WeakPolarHBondContact CA-O 3.25Å; Y475-R492 HydrophobicContact CD1-CB 3.75Å; Y475-R492 VanDerWaalsContact CD1-O 3.31Å; Y475-R492 WeakPolarHBondContact CD1-O 3.2Å; Y475-R492 HydrophobicContact CE1-CB 3.21Å; Y475-R492 HydrophobicContact CE1-CG 4.28Å; Y475-R492 PolarHBondContact N-O 2.88Å; Y475-R492 PolarHBondContact O-N 3.43Å; Y475-R492 WeakPolarHBondContact OH-CD 3.48Å; G489-R492 PolarHBondContact O-NE 3.43Å; Y490-R492 HydrophobicContact CD1-CB 4.47Å; Y490-R492 HydrophobicContact CD1-CG 4.13Å; Y490-R492 HydrophobicContact CE1-CG 4.39Å; R492-T494 PolarHBondContact O-N 3.22Å
493	S	86.9	Confident	81.9	Confident	22 Å²	22	38.6 Å²	38.6	15%	0.154	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	123.4	178.5	173.7	0	0	0	0	111.1	G495 E496 W497	S493-G495 VanDerWaalsContact C-N 3.32Å; S493-G495 PolarHBondContact OG-N 3.49Å; S493-E496 PolarHBondContact OG-N 3.34Å; S493-W497 WeakPolarHBondContact O-CB 3.49Å; S493-W497 VanDerWaalsContact O-CD1 3.23Å; S493-W497 PolarHBondContact O-N 3.26Å
494	T	90.6	Very high	79.9	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-44	172.7	-61	0	0	0	0	110.6	A314 L316 F470 P473 Y474 Y475 R492 W498 F499	A314-T494 HydrophobicContact CB-CG2 4.29Å; A314-T494 WeakPolarHBondContact O-CB 3.42Å; A314-T494 WeakPolarHBondContact O-CG2 3.37Å; L316-T494 HydrophobicContact CD1-CG2 4.26Å; L316-T494 HydrophobicContact CG-CG2 4.33Å; F470-T494 HydrophobicContact CD1-CG2 3.82Å; F470-T494 HydrophobicContact CE1-CG2 3.88Å; P473-T494 WeakPolarHBondContact O-CB 3.4Å; P473-T494 PolarHBondContact O-N 3.37Å; P473-T494 PolarHBondContact O-OG1 2.97Å; Y474-T494 VanDerWaalsContact C-OG1 3.25Å; Y474-T494 PolarHBondContact N-OG1 3.25Å; Y475-T494 PolarHBondContact N-OG1 3.46Å; R492-T494 PolarHBondContact O-N 3.22Å; T494-W498 HydrophobicContact CG2-CB 4.5Å; T494-W498 VanDerWaalsContact O-CB 3.31Å; T494-W498 WeakPolarHBondContact O-CB 3.4Å; T494-W498 PolarHBondContact O-N 3.31Å; T494-F499 HydrophobicContact CG2-CD2 4.19Å; T494-F499 HydrophobicContact CG2-CE2 3.87Å
495	G	88.3	Confident	77.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-49.5	-177.8	0	0	0	0	0	112.3	S493 F499 G500 C501	S493-G495 VanDerWaalsContact C-N 3.32Å; S493-G495 PolarHBondContact OG-N 3.49Å; G495-F499 CarbonylContact O-C 3.58Å; G495-F499 VanDerWaalsContact O-C 3.29Å; G495-F499 WeakPolarHBondContact O-CA 3.34Å; G495-F499 WeakPolarHBondContact O-CB 3.36Å; G495-F499 PolarHBondContact O-N 3.45Å; G495-F499 VanDerWaalsContact O-N 3.09Å; G495-G500 PolarHBondContact O-N 3.21Å; G495-G500 VanDerWaalsContact O-N 3.08Å; G495-C501 VanDerWaalsContact C-SG 3.57Å; G495-C501 WeakPolarHBondContact O-CB 3.31Å; G495-C501 PolarHBondContact O-N 3.06Å; G495-C501 PolarHBondContact O-SG 3.23Å
496	E	82	Confident	75	Confident	57 Å²	57	46.3 Å²	46.3	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-48.8	-179.2	-173.7	-172.8	176.5	0	0	111.5	S493 G500 C501	S493-E496 PolarHBondContact OG-N 3.34Å; E496-G500 WeakPolarHBondContact O-CA 3.49Å; E496-G500 PolarHBondContact O-N 3.49Å; E496-C501 WeakPolarHBondContact CA-O 3.48Å
497	W	81.2	Confident	72.7	Confident	36 Å²	36	49.3 Å²	49.3	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-91.6	-24.4	-166.2	-71.8	93.1	0	0	0	115.2	W123 P201 Y475 S493	W123-W497 HydrophobicContact CD2-CH2 4.02Å; W123-W497 AromaticContact CE3-CH2 3.33Å; W123-W497 HydrophobicContact CE3-CH2 3.33Å; W123-W497 AromaticContact CE3-CZ2 3.57Å; W123-W497 HydrophobicContact CE3-CZ2 3.57Å; W123-W497 AromaticContact CH2-CH2 3.99Å; W123-W497 HydrophobicContact CH2-CH2 3.99Å; W123-W497 HydrophobicContact CH2-CZ2 4.2Å; W123-W497 AromaticContact CZ3-CH2 3.32Å; W123-W497 HydrophobicContact CZ3-CH2 3.32Å; W123-W497 AromaticContact CZ3-CZ2 3.29Å; W123-W497 HydrophobicContact CZ3-CZ2 3.29Å; P201-W497 HydrophobicContact CB-CH2 3.88Å; P201-W497 HydrophobicContact CB-CZ3 3.68Å; P201-W497 WeakPolarHBondContact O-CH2 3.44Å; P201-W497 WeakPolarHBondContact O-CZ3 3.42Å; Y475-W497 HydrophobicContact CE1-CB 3.52Å; Y475-W497 AromaticContact CE1-CG 3.83Å; Y475-W497 HydrophobicContact CE1-CG 3.83Å; S493-W497 WeakPolarHBondContact O-CB 3.49Å; S493-W497 VanDerWaalsContact O-CD1 3.23Å; S493-W497 PolarHBondContact O-N 3.26Å
498	W	84.8	Confident	70.3	Confident	17 Å²	17	55.5 Å²	55.5	6%	0.064	33%	0.329	C	S	.	.	H	α-helix	trans	-109.7	-19.6	179.9	-64.4	83.2	0	0	0	112.9	I319 L338 F460 W462 Y468 F470 Y475 T494	I319-W498 HydrophobicContact CD1-CE3 4.25Å; I319-W498 HydrophobicContact CD1-CZ3 4.26Å; L338-W498 HydrophobicContact CD1-CB 4.5Å; L338-W498 HydrophobicContact CD1-CE3 3.57Å; L338-W498 HydrophobicContact CD1-CZ3 4.23Å; F460-W498 AromaticContact CE1-CH2 3.72Å; F460-W498 HydrophobicContact CE1-CH2 3.72Å; F460-W498 HydrophobicContact CE1-CZ2 4.23Å; F460-W498 HydrophobicContact CE1-CZ3 4.27Å; F460-W498 AromaticContact CZ-CH2 3.4Å; F460-W498 HydrophobicContact CZ-CH2 3.4Å; F460-W498 HydrophobicContact CZ-CZ2 4.33Å; F460-W498 AromaticContact CZ-CZ3 3.64Å; F460-W498 HydrophobicContact CZ-CZ3 3.64Å; W462-W498 HydrophobicContact CD2-CH2 4.02Å; W462-W498 HydrophobicContact CD2-CZ3 4.26Å; W462-W498 AromaticContact CE3-CH2 3.86Å; W462-W498 HydrophobicContact CE3-CH2 3.86Å; W462-W498 HydrophobicContact CE3-CZ3 4.38Å; W462-W498 HydrophobicContact CH2-CH2 4.47Å; W462-W498 HydrophobicContact CH2-CZ3 4.35Å; W462-W498 HydrophobicContact CZ2-CZ3 4.24Å; W462-W498 HydrophobicContact CZ3-CH2 4.05Å; W462-W498 HydrophobicContact CZ3-CZ3 4.38Å; Y468-W498 HydrophobicContact CD1-CZ2 4.08Å; Y468-W498 HydrophobicContact CE1-CZ2 4.38Å; Y468-W498 HydrophobicContact CG-CZ2 4.21Å; F470-W498 AromaticContact CE1-CD1 3.86Å; F470-W498 HydrophobicContact CE1-CD2 4.19Å; F470-W498 AromaticContact CE1-CE2 3.87Å; F470-W498 HydrophobicContact CE1-CG 4.17Å; F470-W498 HydrophobicContact CE1-CZ2 4.49Å; F470-W498 AromaticContact CE1-NE1 3.64Å; F470-W498 HydrophobicContact CZ-CD2 4.03Å; F470-W498 AromaticContact CZ-CE2 3.58Å; F470-W498 HydrophobicContact CZ-CG 4.49Å; F470-W498 HydrophobicContact CZ-CH2 4.39Å; F470-W498 AromaticContact CZ-CZ2 3.77Å; F470-W498 HydrophobicContact CZ-CZ2 3.77Å; F470-W498 AromaticContact CZ-NE1 3.8Å; Y475-W498 AromaticContact CD1-CD1 3.7Å; Y475-W498 AromaticContact CD1-NE1 3.37Å; Y475-W498 HydrophobicContact CD2-CZ2 4.19Å; Y475-W498 AromaticContact CD2-NE1 3.33Å; Y475-W498 VanDerWaalsContact CD2-NE1 3.33Å; Y475-W498 AromaticContact CE1-CD1 3.88Å; Y475-W498 AromaticContact CE1-NE1 3.55Å; Y475-W498 HydrophobicContact CE2-CZ2 4.26Å; Y475-W498 AromaticContact CE2-NE1 3.49Å; Y475-W498 AromaticContact CG-NE1 3.27Å; Y475-W498 VanDerWaalsContact CG-NE1 3.27Å; Y475-W498 AromaticContact CZ-NE1 3.63Å; T494-W498 HydrophobicContact CG2-CB 4.5Å; T494-W498 VanDerWaalsContact O-CB 3.31Å; T494-W498 WeakPolarHBondContact O-CB 3.4Å; T494-W498 PolarHBondContact O-N 3.31Å
499	F	85.5	Confident	68.1	Low	5 Å²	5	60 Å²	60	2%	0.022	34%	0.343	C	S	.	.	H	α-helix	trans	-125.7	2.7	-176.3	-61.9	-84.1	0	0	0	113.8	I310 L316 A329 W336 L338 S342 Y343 T494 G495 C501	I310-F499 HydrophobicContact CB-CD1 4.33Å; I310-F499 HydrophobicContact CB-CG 4.48Å; I310-F499 HydrophobicContact CD1-CE2 4.44Å; I310-F499 HydrophobicContact CD1-CZ 4.33Å; I310-F499 HydrophobicContact CG1-CD1 3.85Å; I310-F499 HydrophobicContact CG1-CD2 3.85Å; I310-F499 HydrophobicContact CG1-CE1 3.85Å; I310-F499 HydrophobicContact CG1-CE2 3.86Å; I310-F499 HydrophobicContact CG1-CG 3.85Å; I310-F499 HydrophobicContact CG1-CZ 3.86Å; I310-F499 HydrophobicContact CG2-CB 3.87Å; I310-F499 HydrophobicContact CG2-CD1 3.65Å; I310-F499 HydrophobicContact CG2-CE1 4.34Å; I310-F499 HydrophobicContact CG2-CG 3.77Å; L316-F499 HydrophobicContact CD1-CE2 4.42Å; L316-F499 HydrophobicContact CD2-CE2 3.83Å; L316-F499 HydrophobicContact CD2-CZ 3.7Å; A329-F499 HydrophobicContact CB-CE1 4.37Å; A329-F499 HydrophobicContact CB-CZ 3.78Å; W336-F499 HydrophobicContact CB-CE1 4.05Å; W336-F499 AromaticContact CD2-CE1 3.93Å; W336-F499 HydrophobicContact CD2-CE1 3.93Å; W336-F499 HydrophobicContact CE3-CE1 4.39Å; W336-F499 HydrophobicContact CG-CD1 4.36Å; W336-F499 AromaticContact CG-CE1 3.77Å; W336-F499 HydrophobicContact CG-CE1 3.77Å; L338-F499 HydrophobicContact CD2-CD1 4.15Å; L338-F499 HydrophobicContact CD2-CE1 3.64Å; L338-F499 HydrophobicContact CD2-CZ 4.1Å; S342-F499 VanDerWaalsContact CB-C 3.45Å; S342-F499 WeakPolarHBondContact CB-O 3.28Å; Y343-F499 HydrophobicContact CD1-CB 4.42Å; Y343-F499 AromaticContact CD1-CD1 3.84Å; Y343-F499 HydrophobicContact CD1-CD1 3.84Å; Y343-F499 HydrophobicContact CE1-CD1 4.38Å; T494-F499 HydrophobicContact CG2-CD2 4.19Å; T494-F499 HydrophobicContact CG2-CE2 3.87Å; G495-F499 CarbonylContact O-C 3.58Å; G495-F499 VanDerWaalsContact O-C 3.29Å; G495-F499 WeakPolarHBondContact O-CA 3.34Å; G495-F499 WeakPolarHBondContact O-CB 3.36Å; G495-F499 PolarHBondContact O-N 3.45Å; G495-F499 VanDerWaalsContact O-N 3.09Å; F499-C501 VanDerWaalsContact C-N 3.25Å; F499-C501 PolarHBondContact O-N 3.39Å
500	G	75.1	Confident	66.2	Low	39 Å²	39	66.1 Å²	66.1	40%	0.402	38%	0.377	S	S	.	.			trans	64.8	27.9	176.9	0	0	0	0	0	113.6	G495 E496 N502	G495-G500 PolarHBondContact O-N 3.21Å; G495-G500 VanDerWaalsContact O-N 3.08Å; E496-G500 WeakPolarHBondContact O-CA 3.49Å; E496-G500 PolarHBondContact O-N 3.49Å; G500-N502 PolarHBondContact O-N 3.07Å
501	C	80.8	Confident	65.3	Low	4 Å²	4	68.1 Å²	68.1	3%	0.027	39%	0.39	C	S	.	.			trans	-71.9	127.1	179.5	-55.7	0	0	0	0	110.5	C311 G495 E496 F499 D503	C311-C501 WeakPolarHBondContact CA-SG 3.25Å; C311-C501 HydrophobicContact CB-CB 3.69Å; C311-C501 WeakPolarHBondContact CB-SG 3.4Å; C311-C501 WeakPolarHBondContact SG-CB 3.34Å; C311-C501 CovalentContact SG-SG 2.04Å; C311-C501 PolarHBondContact SG-SG 3.33Å; G495-C501 VanDerWaalsContact C-SG 3.57Å; G495-C501 WeakPolarHBondContact O-CB 3.31Å; G495-C501 PolarHBondContact O-N 3.06Å; G495-C501 PolarHBondContact O-SG 3.23Å; E496-C501 WeakPolarHBondContact CA-O 3.48Å; F499-C501 VanDerWaalsContact C-N 3.25Å; F499-C501 PolarHBondContact O-N 3.39Å; C501-D503 PolarHBondContact O-N 3.43Å
502	N	66	Low	63.9	Low	148 Å²	148	70.5 Å²	70.5	79%	0.791	40%	0.403	S	S	*	.			trans	-79.9	71	174.1	-76.9	-25.2	0	0	0	110.6	G500 G504	G500-N502 PolarHBondContact O-N 3.07Å; N502-G504 PolarHBondContact O-N 3.46Å
503	D	50.9	Low	62.8	Low	65 Å²	65	73.7 Å²	73.7	35%	0.348	42%	0.423	S	S	.	.			trans	-89.4	95.5	171.8	-65.5	-30.4	0	0	0	108	C501 K505	C501-D503 PolarHBondContact O-N 3.43Å; D503-K505 PolarHBondContact O-N 3.32Å
504	G	44	Very low	61.4	Low	91 Å²	91	76.7 Å²	76.7	94%	0.938	44%	0.438	S	S	*	.			trans	-63	21	166.9	0	0	0	0	0	114	N502	N502-G504 PolarHBondContact O-N 3.46Å
505	K	40.3	Very low	59.6	Low	166 Å²	166	81.5 Å²	81.5	72%	0.722	47%	0.466	S	S	*	.			trans	-98.7	110.9	-179.8	-65	-174.6	179.4	-178.8	0	108.2	D503	D503-K505 PolarHBondContact O-N 3.32Å
506	S	37.9	Very low	57.7	Low	101 Å²	101	86.9 Å²	86.9	71%	0.706	50%	0.497	S	S	*	.			trans	-49.8	144.5	163	50.2	0	0	0	0	110.2	E508	S506-E508 PolarHBondContact O-N 3.48Å
507	I	40	Very low	55.9	Low	94 Å²	94	89.1 Å²	89.1	48%	0.482	51%	0.513	S	S	.	.			trans	-45.5	105	171.7	-56.5	169.2	0	0	0	108.5	Y474	Y474-I507 HydrophobicContact CE1-CG2 4.23Å
508	E	32.2	Very low	54	Low	148 Å²	148	93.2 Å²	93.2	69%	0.692	54%	0.542	S	S	*	.			trans	-73.9	124.1	166.7	-74.5	-177.2	174.5	0	0	106.5	Y474 S506	Y474-E508 PolarHBondContact OH-O 3.39Å; Y474-E508 VanDerWaalsContact OH-O 3.09Å; S506-E508 PolarHBondContact O-N 3.48Å
509	E	30.9	Very low	51.4	Low	168 Å²	168	99.5 Å²	99.5	79%	0.785	58%	0.582	S	S	*	*			trans	-53.1	133.3	176.2	-87.1	-174.2	150.3	0	0	109.8
510	P	33.8	Very low	48.3	Very low	165 Å²	165	108.1 Å²	108.1	100%	1.071	63%	0.633	S	S	*	*			trans	-69.3	0	176	27.7	-33.2	0	0	0	114

Retrieved 510 of 510 residues in 639.3 ms (Link to these results)

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