A0A087X4W0_POEFO Loading...

Fibrinogen beta chain

AlphaFold DB , UniProt , Accession A0A087X4W0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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	54.4	Low	61.9	Low	200 Å²	200	128.5 Å²	128.5	99%	0.985	65%	0.653	S	S	*	*				0	-37.8	0	-73	-158.8	-76.3	0	0	114.2
2	K	52.8	Low	61.5	Low	188 Å²	188	132 Å²	132	82%	0.817	65%	0.654	S	S	*	*	H	α-helix	trans	-72.5	-28.7	177.5	-68.8	-177	175.8	-179.4	0	114.9
3	T	64.6	Low	60.8	Low	108 Å²	108	127.8 Å²	127.8	66%	0.663	64%	0.64	S	S	*	*	H	α-helix	trans	-76.7	-28.9	178.3	47	0	0	0	0	113.5	L6 L7	T3-L6 PolarHBondContact O-N 3.02Å; T3-L7 PolarHBondContact O-N 2.8Å
4	L	65.8	Low	59.8	Low	120 Å²	120	124.1 Å²	124.1	63%	0.628	63%	0.628	S	S	*	*	H	α-helix	trans	-76.5	-34.3	-179.4	-126	147.2	0	0	0	112	L6 Y8	L4-L6 VanDerWaalsContact C-N 3.34Å; L4-Y8 PolarHBondContact O-N 3.29Å; L4-Y8 VanDerWaalsContact O-N 3.08Å
5	L	66.4	Low	58.6	Low	123 Å²	123	129.3 Å²	129.3	64%	0.644	64%	0.637	S	S	*	*	H	α-helix	trans	-66.6	-34.7	171.9	-103.8	148.9	0	0	0	112.4	Y8 L9	L5-Y8 PolarHBondContact O-N 3.34Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 PolarHBondContact O-N 3.18Å
6	L	67	Low	57.7	Low	120 Å²	120	124.9 Å²	124.9	63%	0.628	63%	0.628	S	S	*	*	H	α-helix	trans	-72.1	-38.7	178.8	-132.3	136.4	0	0	0	111.5	T3 L4 L9 C10	T3-L6 PolarHBondContact O-N 3.02Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 3.31Å; L6-C10 PolarHBondContact O-N 3.1Å; L6-C10 PolarHBondContact O-SG 3.08Å
7	L	68.4	Low	56.7	Low	114 Å²	114	125.8 Å²	125.8	60%	0.597	63%	0.629	S	S	*	*	H	α-helix	trans	-65.5	-38	172	-92	156.7	0	0	0	112.8	T3 L9 C10 L11	T3-L7 PolarHBondContact O-N 2.8Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-C10 PolarHBondContact O-N 2.7Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.12Å
8	Y	62.9	Low	55.4	Low	150 Å²	150	127.1 Å²	127.1	59%	0.588	64%	0.639	S	S	*	*	H	α-helix	trans	-67.3	-34.5	176	-129.6	-89.6	0	0	0	112.5	L4 L5 Y12	L4-Y8 PolarHBondContact O-N 3.29Å; L4-Y8 VanDerWaalsContact O-N 3.08Å; L5-Y8 PolarHBondContact O-N 3.34Å; Y8-Y12 HydrophobicContact CD1-CD2 4.25Å; Y8-Y12 HydrophobicContact CD1-CE2 4.38Å; Y8-Y12 HydrophobicContact CE1-CE2 4.24Å; Y8-Y12 PolarHBondContact O-N 2.95Å
9	L	63.2	Low	54.6	Low	117 Å²	117	126.7 Å²	126.7	61%	0.613	64%	0.643	S	S	*	*	H	α-helix	trans	-73.6	-37.6	177	-137.8	143.7	0	0	0	111.2	L5 L6 L7 Y12 V13	L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 PolarHBondContact O-N 3.18Å; L6-L9 PolarHBondContact O-N 3.31Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L9-Y12 PolarHBondContact O-N 2.86Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.26Å; L9-V13 PolarHBondContact O-N 3.36Å; L9-V13 VanDerWaalsContact O-N 3.11Å
10	C	59.8	Low	53.5	Low	70 Å²	70	127.2 Å²	127.2	47%	0.473	65%	0.647	S	S	.	*	H	α-helix	trans	-66.1	-39.6	173.2	-70.5	0	0	0	0	112.8	L6 L7 Y12 V13 T14	L6-C10 PolarHBondContact O-N 3.1Å; L6-C10 PolarHBondContact O-SG 3.08Å; L7-C10 PolarHBondContact O-N 2.7Å; C10-Y12 VanDerWaalsContact C-N 3.34Å; C10-Y12 PolarHBondContact O-N 3.23Å; C10-V13 PolarHBondContact O-N 2.89Å; C10-T14 PolarHBondContact O-N 3.11Å; C10-T14 VanDerWaalsContact O-N 3.11Å; C10-T14 PolarHBondContact O-OG1 2.96Å
11	L	55.9	Low	52.6	Low	104 Å²	104	131 Å²	131	55%	0.545	66%	0.662	S	S	.	*	H	α-helix	trans	-67.2	-33.3	176.6	-78.3	165.1	0	0	0	112.7	L7 T14 W15	L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.12Å; L11-T14 WeakPolarHBondContact CA-OG1 3.47Å; L11-T14 PolarHBondContact O-OG1 3.06Å; L11-W15 WeakPolarHBondContact O-CB 3.33Å; L11-W15 PolarHBondContact O-N 3.11Å; L11-W15 VanDerWaalsContact O-N 3.09Å
12	Y	56.6	Low	51.7	Low	170 Å²	170	130.8 Å²	130.8	67%	0.667	65%	0.652	S	S	*	*	H	α-helix	trans	-70.6	-35.8	173.7	-109.2	-85.9	0	0	0	112.9	Y8 L9 C10 W15 A16	Y8-Y12 HydrophobicContact CD1-CD2 4.25Å; Y8-Y12 HydrophobicContact CD1-CE2 4.38Å; Y8-Y12 HydrophobicContact CE1-CE2 4.24Å; Y8-Y12 PolarHBondContact O-N 2.95Å; L9-Y12 PolarHBondContact O-N 2.86Å; C10-Y12 VanDerWaalsContact C-N 3.34Å; C10-Y12 PolarHBondContact O-N 3.23Å; Y12-W15 PolarHBondContact O-N 3.26Å; Y12-A16 WeakPolarHBondContact O-CB 3.43Å; Y12-A16 PolarHBondContact O-N 2.88Å
13	V	53.2	Low	50.7	Low	78 Å²	78	128.9 Å²	128.9	47%	0.473	65%	0.65	S	S	.	*	H	α-helix	trans	-68.4	-38.1	176.7	173.4	0	0	0	0	110.9	L9 C10 A16 Q17	L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.26Å; L9-V13 PolarHBondContact O-N 3.36Å; L9-V13 VanDerWaalsContact O-N 3.11Å; C10-V13 PolarHBondContact O-N 2.89Å; V13-A16 PolarHBondContact O-N 3.46Å; V13-Q17 PolarHBondContact O-N 3.13Å; V13-Q17 PolarHBondContact O-OE1 3.21Å
14	T	46	Very low	49.1	Very low	76 Å²	76	130 Å²	130	47%	0.466	65%	0.652	S	S	.	*	H	α-helix	trans	-71.7	-34.7	175.8	52.1	0	0	0	0	113	C10 L11 A16 Q17	C10-T14 PolarHBondContact O-N 3.11Å; C10-T14 VanDerWaalsContact O-N 3.11Å; C10-T14 PolarHBondContact O-OG1 2.96Å; L11-T14 WeakPolarHBondContact CA-OG1 3.47Å; L11-T14 PolarHBondContact O-OG1 3.06Å; T14-A16 VanDerWaalsContact C-N 3.34Å; T14-Q17 PolarHBondContact O-N 3.32Å
15	W	41.7	Very low	47.8	Very low	201 Å²	201	134.4 Å²	134.4	76%	0.761	66%	0.662	S	S	*	*	H	α-helix	trans	-72.7	-25.9	174.9	-105.7	68.1	0	0	0	113.4	L11 Y12 Q17	L11-W15 WeakPolarHBondContact O-CB 3.33Å; L11-W15 PolarHBondContact O-N 3.11Å; L11-W15 VanDerWaalsContact O-N 3.09Å; Y12-W15 PolarHBondContact O-N 3.26Å; W15-Q17 VanDerWaalsContact C-N 3.32Å
16	A	44.3	Very low	46.2	Very low	60 Å²	60	134.9 Å²	134.9	50%	0.496	67%	0.665	S	S	.	*	H	α-helix	trans	-78.2	-15.6	176	0	0	0	0	0	113.2	Y12 V13 T14	Y12-A16 WeakPolarHBondContact O-CB 3.43Å; Y12-A16 PolarHBondContact O-N 2.88Å; V13-A16 PolarHBondContact O-N 3.46Å; T14-A16 VanDerWaalsContact C-N 3.34Å
17	Q	40.5	Very low	44.4	Very low	139 Å²	139	135.3 Å²	135.3	65%	0.65	67%	0.673	S	S	*	*	H	α-helix	trans	-87.5	-16.3	179.6	-78.1	173.7	-61	0	0	114	V13 T14 W15	V13-Q17 PolarHBondContact O-N 3.13Å; V13-Q17 PolarHBondContact O-OE1 3.21Å; T14-Q17 PolarHBondContact O-N 3.32Å; W15-Q17 VanDerWaalsContact C-N 3.32Å
18	D	34.6	Very low	42.6	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	68%	0.677	S	S	*	*	S	Bend	trans	-91.1	-3.2	179.7	-83.5	-17.3	0	0	0	114.5
19	V	39.1	Very low	41.1	Very low	119 Å²	119	135.3 Å²	135.3	72%	0.721	69%	0.689	S	S	*	*	S	Bend	trans	-115.9	14.3	-178.3	-171	0	0	0	0	112.8
20	L	33.8	Very low	39.6	Very low	137 Å²	137	138.4 Å²	138.4	72%	0.717	70%	0.698	S	S	*	*			trans	-126.2	65	174	-72.3	169.9	0	0	0	110.7	Y22	L20-Y22 PolarHBondContact O-N 3.23Å; L20-Y22 VanDerWaalsContact O-N 3.08Å
21	E	33.4	Very low	38.3	Very low	207 Å²	207	140 Å²	140	97%	0.967	72%	0.716	S	S	*	*			trans	-72.2	85.1	145.6	-94	-175.4	160.9	0	0	106.9
22	Y	35.6	Very low	37.1	Very low	196 Å²	196	144.5 Å²	144.5	77%	0.769	73%	0.731	S	S	*	*			trans	-120.6	113.4	165.7	-158.2	-95.8	0	0	0	106.8	L20 D24	L20-Y22 PolarHBondContact O-N 3.23Å; L20-Y22 VanDerWaalsContact O-N 3.08Å; Y22-D24 PolarHBondContact O-N 3.34Å; Y22-D24 VanDerWaalsContact O-N 3.08Å
23	D	32.2	Very low	35.9	Very low	147 Å²	147	144.3 Å²	144.3	79%	0.786	74%	0.742	S	S	*	*			trans	-50.3	111.2	-178.9	-73.7	-41.8	0	0	0	111
24	D	31.1	Very low	34.7	Very low	133 Å²	133	147 Å²	147	71%	0.711	76%	0.759	S	S	*	*			trans	-81.5	126.7	176.2	-162.1	8.1	0	0	0	109.1	Y22	Y22-D24 PolarHBondContact O-N 3.34Å; Y22-D24 VanDerWaalsContact O-N 3.08Å
25	Y	37.9	Very low	34.1	Very low	211 Å²	211	149.7 Å²	149.7	83%	0.827	78%	0.775	S	S	*	*			trans	-124.8	103.5	162.5	-81.8	-75.7	0	0	0	109.3
26	D	32.9	Very low	33.5	Very low	133 Å²	133	147.7 Å²	147.7	71%	0.711	78%	0.779	S	S	*	*			trans	-47.3	130.9	163.9	-98.2	-40.6	0	0	0	112.2
27	T	29.6	Very low	33.2	Very low	130 Å²	130	149.1 Å²	149.1	80%	0.798	80%	0.799	S	S	*	*			trans	-115.3	75.5	159.3	37.8	0	0	0	0	109	T29	T27-T29 PolarHBondContact O-N 3.15Å
28	D	31.4	Very low	32.5	Very low	125 Å²	125	146.2 Å²	146.2	67%	0.668	81%	0.807	S	S	*	*			trans	-75.8	102.2	176.7	-147.6	15.5	0	0	0	109.5	K30	D28-K30 PolarHBondContact O-N 3.48Å
29	T	30.6	Very low	32.3	Very low	139 Å²	139	145.8 Å²	145.8	85%	0.853	81%	0.81	S	S	*	*			trans	-90.7	86	176	29.1	0	0	0	0	110.3	T27	T27-T29 PolarHBondContact O-N 3.15Å
30	K	30.5	Very low	31.9	Very low	181 Å²	181	144.7 Å²	144.7	79%	0.787	81%	0.813	S	S	*	*			trans	-88.6	112.6	162.4	-87.3	176.7	-178.5	154.5	0	110.6	D28 K32	D28-K30 PolarHBondContact O-N 3.48Å; K30-K32 PolarHBondContact O-N 3.26Å
31	A	34.3	Very low	31.8	Very low	103 Å²	103	145.4 Å²	145.4	85%	0.851	82%	0.823	S	S	*	*			trans	-58	120.9	169.8	0	0	0	0	0	111.6
32	K	29.3	Very low	31.5	Very low	199 Å²	199	141 Å²	141	87%	0.865	81%	0.806	S	S	*	*			trans	-137.6	119.7	152	-88.3	-171.9	177.1	177.6	0	109.7	K30 T34	K30-K32 PolarHBondContact O-N 3.26Å; K32-T34 PolarHBondContact O-N 2.9Å
33	N	33	Very low	31.8	Very low	167 Å²	167	135 Å²	135	89%	0.893	80%	0.798	S	S	*	*			trans	-59.9	118.6	170.1	-81.2	-22.8	0	0	0	110.5
34	T	26.5	Very low	32.5	Very low	135 Å²	135	134.8 Å²	134.8	83%	0.828	79%	0.785	S	S	*	*			trans	-153	122.4	147.9	11	0	0	0	0	108.8	K32 N36	K32-T34 PolarHBondContact O-N 2.9Å; T34-N36 PolarHBondContact O-N 2.85Å
35	T	33.5	Very low	32.8	Very low	131 Å²	131	131 Å²	131	80%	0.804	78%	0.778	S	S	*	*			trans	-65.4	112.9	177.7	41.3	0	0	0	0	111.8
36	N	29.4	Very low	33.2	Very low	159 Å²	159	126.6 Å²	126.6	85%	0.85	77%	0.765	S	S	*	*	S	Bend	trans	165.2	124	136.6	-87	-16.1	0	0	0	111.5	T34	T34-N36 PolarHBondContact O-N 2.85Å
37	G	38.3	Very low	33.8	Very low	90 Å²	90	123.3 Å²	123.3	93%	0.928	74%	0.742	S	S	*	*			trans	68.1	113.1	160.8	0	0	0	0	0	118.1
38	G	24.8	Very low	34	Very low	78 Å²	78	122 Å²	122	80%	0.804	74%	0.736	S	S	*	*			trans	-175.3	103.2	168.5	0	0	0	0	0	112.9	A40	G38-A40 PolarHBondContact O-N 3.13Å
39	T	31.2	Very low	34.6	Very low	142 Å²	142	119.4 Å²	119.4	87%	0.871	73%	0.725	S	S	*	*			trans	-60.8	120.9	171.4	43.4	0	0	0	0	110.4
40	A	29.7	Very low	34.9	Very low	96 Å²	96	118.3 Å²	118.3	79%	0.793	72%	0.723	S	S	*	*			trans	-60.6	135	171.7	0	0	0	0	0	110.7	G38 D42	G38-A40 PolarHBondContact O-N 3.13Å; A40-D42 PolarHBondContact O-N 3.13Å
41	V	31.9	Very low	35.6	Very low	152 Å²	152	120.5 Å²	120.5	92%	0.921	73%	0.726	S	S	*	*			trans	-71.7	108.4	175.9	-175.4	0	0	0	0	108.2
42	D	28.8	Very low	35.6	Very low	114 Å²	114	119.5 Å²	119.5	61%	0.61	73%	0.726	S	S	*	*			trans	-100.9	153.1	176.7	-173	21.8	0	0	0	110.5	A40 R44	A40-D42 PolarHBondContact O-N 3.13Å; D42-R44 PolarHBondContact O-N 3.25Å; D42-R44 IonicContact OD2-NH2 2.85Å
43	A	41.3	Very low	36	Very low	71 Å²	71	121.3 Å²	121.3	59%	0.587	73%	0.727	S	S	*	*	S	Bend	trans	-70.4	40.9	-166.8	0	0	0	0	0	115.8
44	R	45.4	Very low	36	Very low	141 Å²	141	121.6 Å²	121.6	53%	0.532	73%	0.728	S	S	.	*	S	Bend	trans	-132.8	103.5	168.1	-80.4	-180	-82.4	-157.5	-4.6	106.8	D42 H46	D42-R44 PolarHBondContact O-N 3.25Å; D42-R44 IonicContact OD2-NH2 2.85Å; R44-H46 PolarHBondContact O-N 2.96Å
45	G	39.1	Very low	36.3	Very low	54 Å²	54	120.7 Å²	120.7	56%	0.557	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.2	109.7	172.2	0	0	0	0	0	110.7	R47	G45-R47 PolarHBondContact O-N 3.24Å
46	H	45.8	Very low	36.3	Very low	118 Å²	118	124 Å²	124	55%	0.546	73%	0.727	S	S	.	*	T	Hydrogen-bonded Turn	trans	45	49.1	160	-57.6	-71.4	0	0	0	119.5	R44 W416	R44-H46 PolarHBondContact O-N 2.96Å; H46-W416 AromaticContact CD2-CZ2 3.7Å
47	R	45.3	Very low	36.6	Very low	65 Å²	65	121.8 Å²	121.8	25%	0.245	72%	0.724	C	S	.	*			trans	-139.1	126	166.9	-141.3	178.8	-148	154.4	-10.1	114.9	G45 V49 L391 N395 T399	G45-R47 PolarHBondContact O-N 3.24Å; R47-V49 PolarHBondContact O-N 3.07Å; R47-L391 VanDerWaalsContact NH2-CD1 3.29Å; R47-N395 WeakPolarHBondContact CG-OD1 3.45Å; R47-N395 PolarHBondContact NE-OD1 2.9Å; R47-N395 VanDerWaalsContact NE-OD1 3.1Å; R47-N395 PolarHBondContact NH2-O 3.16Å; R47-T399 VanDerWaalsContact NH2-CG2 3.33Å
48	P	34.3	Very low	36.3	Very low	101 Å²	101	121.6 Å²	121.6	66%	0.656	71%	0.707	S	S	*	*			trans	-65.5	121	176.7	-18.1	30.1	0	0	0	111.5
49	V	43	Very low	36.7	Very low	72 Å²	72	126 Å²	126	44%	0.436	71%	0.711	S	S	.	*			trans	-104.6	67.3	171.9	-171.6	0	0	0	0	108.4	R47 R51	R47-V49 PolarHBondContact O-N 3.07Å; V49-R51 HydrophobicContact CG1-CG 4.34Å; V49-R51 PolarHBondContact O-N 3.38Å
50	S	38	Very low	36.9	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	71%	0.709	S	S	*	*			trans	-74.2	82.5	170.1	49.9	0	0	0	0	109.4	G52	S50-G52 PolarHBondContact O-N 3.36Å
51	R	43.5	Very low	37.2	Very low	226 Å²	226	135.2 Å²	135.2	85%	0.853	71%	0.711	S	S	*	*			trans	-84.4	91.4	154.6	-77	-175.2	176.4	178.4	-0.4	106.9	V49 R53	V49-R51 HydrophobicContact CG1-CG 4.34Å; V49-R51 PolarHBondContact O-N 3.38Å; R51-R53 PolarHBondContact O-N 2.91Å
52	G	35.3	Very low	37.3	Very low	82 Å²	82	132.8 Å²	132.8	85%	0.845	71%	0.708	S	S	*	*			trans	-61.2	125.7	171.6	0	0	0	0	0	110	S50	S50-G52 PolarHBondContact O-N 3.36Å
53	R	37.3	Very low	38	Very low	237 Å²	237	133 Å²	133	89%	0.894	72%	0.715	S	S	*	*			trans	-131.6	113.3	167.7	-157.1	-178.8	-165.3	-175.7	4.1	106.9	R51 S55	R51-R53 PolarHBondContact O-N 2.91Å; R53-S55 PolarHBondContact O-N 3.39Å
54	D	34.2	Very low	38.2	Very low	173 Å²	173	134.8 Å²	134.8	93%	0.925	72%	0.72	S	S	*	*			trans	-73.7	122.9	172.4	-72.6	-35.8	0	0	0	109.5
55	S	32.7	Very low	37.7	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	74%	0.735	S	S	*	*			trans	-111.6	110.7	167	54	0	0	0	0	108.8	R53	R53-S55 PolarHBondContact O-N 3.39Å
56	Y	33.5	Very low	37.5	Very low	200 Å²	200	139.4 Å²	139.4	78%	0.784	75%	0.749	S	S	*	*			trans	-95.4	128.9	166.8	-175.5	-107	0	0	0	109.2	P58	Y56-P58 HydrophobicContact CD1-CG 4.39Å; Y56-P58 HydrophobicContact CE1-CG 3.58Å
57	S	35	Very low	37	Very low	114 Å²	114	139.1 Å²	139.1	80%	0.797	76%	0.76	S	S	*	*			trans	-147.2	118.6	168.1	-77.7	0	0	0	0	109.1
58	P	33.2	Very low	36.3	Very low	86 Å²	86	141.3 Å²	141.3	56%	0.558	79%	0.785	S	S	*	*			trans	-106.7	122.2	164.1	34.3	-25.3	0	0	0	111.9	Y56	Y56-P58 HydrophobicContact CD1-CG 4.39Å; Y56-P58 HydrophobicContact CE1-CG 3.58Å
59	N	32.6	Very low	36.3	Very low	169 Å²	169	139.9 Å²	139.9	90%	0.904	79%	0.789	S	S	*	*			trans	52.4	128.6	141.9	-78.7	-10.5	0	0	0	124
60	R	35.8	Very low	35.8	Very low	217 Å²	217	145.6 Å²	145.6	82%	0.819	81%	0.811	S	S	*	*			trans	-91.3	158.7	157.8	-69.9	178.8	177.7	-176.4	-1.1	110.6
61	Y	34.8	Very low	35.7	Very low	215 Å²	215	151.3 Å²	151.3	84%	0.843	81%	0.814	S	S	*	*			trans	108.6	108.9	159.3	-68.2	-79.2	0	0	0	118.7
62	A	34.2	Very low	35.3	Very low	102 Å²	102	151.5 Å²	151.5	84%	0.843	82%	0.817	S	S	*	*			trans	-163.4	122	132.3	0	0	0	0	0	111.8
63	P	43.1	Very low	35.3	Very low	117 Å²	117	159.4 Å²	159.4	76%	0.76	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-94.5	171.7	165.6	33.8	-29.3	0	0	0	113.5
64	P	46.1	Very low	35.2	Very low	109 Å²	109	151.8 Å²	151.8	71%	0.708	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-97.8	170.5	-142.5	38.9	-37	0	0	0	116.2
65	P	34.8	Very low	35.3	Very low	129 Å²	129	155.1 Å²	155.1	84%	0.838	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-90.7	131.8	168.9	33.4	-28.4	0	0	0	112.6
66	I	34.6	Very low	35.9	Very low	164 Å²	164	155.1 Å²	155.1	84%	0.841	81%	0.814	S	S	*	*			trans	-114	123.6	165.1	-65.5	175.4	0	0	0	108.2
67	S	34.7	Very low	36.5	Very low	112 Å²	112	152.1 Å²	152.1	78%	0.783	82%	0.816	S	S	*	*			trans	-77.4	143.6	-178.8	176.9	0	0	0	0	112.5
68	S	32.6	Very low	37.1	Very low	111 Å²	111	152.7 Å²	152.7	78%	0.776	82%	0.817	S	S	*	*			trans	-74.7	147.2	177.4	52.5	0	0	0	0	115.1
69	G	33.2	Very low	37.6	Very low	71 Å²	71	152.8 Å²	152.8	73%	0.732	83%	0.825	S	S	*	*				100	122.8	126.3	0	0	0	0	0	118.7
70	Q	33.3	Very low	38.4	Very low	192 Å²	192	150.9 Å²	150.9	90%	0.897	82%	0.822	S	S	*	*				-171.8	146.7	117.3	-99.8	-174.2	14.1	0	0	112.6
71	R	35.7	Very low	38.8	Very low	235 Å²	235	147.1 Å²	147.1	89%	0.887	82%	0.823	S	S	*	*			trans	-89.7	148.3	177.3	-68.2	173.5	176.7	179	-0.9	110.3
72	Y	34.5	Very low	39.1	Very low	230 Å²	230	140.3 Å²	140.3	90%	0.902	82%	0.818	S	S	*	*			trans	-145.9	133.2	143.8	-100.3	-84.2	0	0	0	110.5
73	R	36	Very low	39.5	Very low	248 Å²	248	146.9 Å²	146.9	94%	0.936	82%	0.821	S	S	*	*			trans	-119.5	125.7	176.2	-134.2	-175.3	-168.7	-171.4	3.1	107.2
74	G	34	Very low	39.3	Very low	78 Å²	78	149.5 Å²	149.5	80%	0.804	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-88.5	139.8	173.7	0	0	0	0	0	112.1
75	R	37.7	Very low	38.9	Very low	242 Å²	242	148.8 Å²	148.8	91%	0.913	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-89.1	136	-175	-178.5	-174.7	-165.9	-170.7	4.8	111
76	P	45.7	Very low	39.4	Very low	117 Å²	117	151.7 Å²	151.7	76%	0.76	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-82.2	140.2	167.5	-8.3	25.8	0	0	0	111.9
77	T	45.6	Very low	39.6	Very low	137 Å²	137	152.3 Å²	152.3	84%	0.84	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-74.6	144.8	174.7	28	0	0	0	0	112.3
78	P	47.1	Very low	39.9	Very low	125 Å²	125	156.5 Å²	156.5	81%	0.812	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-91.1	147.9	169.4	26.4	-15.8	0	0	0	112.5
79	A	43.1	Very low	40.6	Very low	89 Å²	89	159.1 Å²	159.1	74%	0.736	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-74.1	151.1	175.4	0	0	0	0	0	112.2
80	P	49.5	Very low	41.2	Very low	128 Å²	128	161.4 Å²	161.4	83%	0.831	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-78.4	139.5	-173.3	29.6	-32.4	0	0	0	113.1	G82	P80-G82 PolarHBondContact O-N 2.93Å
81	V	45.8	Very low	41.9	Very low	139 Å²	139	160.4 Å²	160.4	84%	0.842	83%	0.834	S	S	*	*			trans	-79.3	106.9	168.8	179.8	0	0	0	0	108.1	R83	V81-R83 PolarHBondContact O-N 3.4Å
82	G	41.1	Very low	42.6	Very low	71 Å²	71	154.7 Å²	154.7	73%	0.732	83%	0.827	S	S	*	*			trans	-76	112.8	167.1	0	0	0	0	0	110	P80 L84	P80-G82 PolarHBondContact O-N 2.93Å; G82-L84 PolarHBondContact O-N 3.46Å
83	R	40.5	Very low	43.6	Very low	241 Å²	241	152 Å²	152	91%	0.909	83%	0.828	S	S	*	*			trans	-69.4	113.4	163	-81.7	178	172.4	179.2	-3	107.9	V81 A85	V81-R83 PolarHBondContact O-N 3.4Å; R83-A85 PolarHBondContact O-N 2.8Å
84	L	39.5	Very low	45.1	Very low	172 Å²	172	143.9 Å²	143.9	90%	0.901	81%	0.814	S	S	*	*			trans	-68.5	114.9	161.5	-85.3	154	0	0	0	107.8	G82 Q86	G82-L84 PolarHBondContact O-N 3.46Å; L84-Q86 PolarHBondContact O-N 3.36Å
85	A	39	Very low	46.7	Very low	94 Å²	94	143.1 Å²	143.1	78%	0.777	81%	0.806	S	S	*	*			trans	-63.9	114.4	162.7	0	0	0	0	0	107	R83 E87	R83-A85 PolarHBondContact O-N 2.8Å; A85-E87 VanDerWaalsContact C-N 3.3Å; A85-E87 PolarHBondContact O-N 3.38Å
86	Q	43.5	Very low	48.2	Very low	190 Å²	190	133.8 Å²	133.8	89%	0.888	79%	0.786	S	S	*	*			trans	-73.7	93.3	171.7	-143.2	172.9	8.7	0	0	106.4	L84 K88	L84-Q86 PolarHBondContact O-N 3.36Å; Q86-K88 PolarHBondContact O-N 3.16Å
87	E	39.3	Very low	49.5	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	78%	0.776	S	S	*	*			trans	-59.1	115.9	163.5	-162.1	164.6	-162.7	0	0	106.1	A85 E89	A85-E87 VanDerWaalsContact C-N 3.3Å; A85-E87 PolarHBondContact O-N 3.38Å; E87-E89 PolarHBondContact O-N 3.07Å
88	K	42.3	Very low	50.6	Low	200 Å²	200	131.5 Å²	131.5	87%	0.87	77%	0.772	S	S	*	*			trans	-66	90.5	168.4	-90.8	-178.7	173.2	179.8	0	106.1	Q86 P90	Q86-K88 PolarHBondContact O-N 3.16Å; K88-P90 VanDerWaalsContact O-CD 3.32Å; K88-P90 WeakPolarHBondContact O-CD 3.44Å
89	E	45.8	Very low	51.7	Low	167 Å²	167	129.4 Å²	129.4	78%	0.78	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-56.4	120	157.5	-84.5	-170.9	148.4	0	0	106.7	E87 Q91	E87-E89 PolarHBondContact O-N 3.07Å; E89-Q91 PolarHBondContact O-N 3.32Å; E89-Q91 VanDerWaalsContact O-N 3.09Å
90	P	46	Very low	52.9	Low	119 Å²	119	130.5 Å²	130.5	77%	0.773	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58	118.9	168	23.1	-29.1	0	0	0	106.9	K88	K88-P90 VanDerWaalsContact O-CD 3.32Å; K88-P90 WeakPolarHBondContact O-CD 3.44Å
91	Q	49.2	Very low	53.5	Low	170 Å²	170	127 Å²	127	79%	0.794	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-54.8	134.7	173.9	-78.9	-168.8	-14.2	0	0	108	E89 D93	E89-Q91 PolarHBondContact O-N 3.32Å; E89-Q91 VanDerWaalsContact O-N 3.09Å; Q91-D93 PolarHBondContact O-N 2.79Å
92	P	49.6	Very low	54.5	Low	115 Å²	115	130 Å²	130	75%	0.747	74%	0.744	S	S	*	*			trans	-63.1	109.9	174.8	25.9	-31.6	0	0	0	107.3	A94	P92-A94 HydrophobicContact CB-CB 4.3Å; P92-A94 PolarHBondContact O-N 2.93Å
93	D	56.3	Low	55.7	Low	173 Å²	173	131.2 Å²	131.2	93%	0.925	75%	0.747	S	S	*	*			trans	-64	89.2	162.9	-77.2	-28.7	0	0	0	106.5	Q91	Q91-D93 PolarHBondContact O-N 2.79Å
94	A	66.4	Low	56.7	Low	78 Å²	78	124.9 Å²	124.9	65%	0.645	73%	0.729	S	S	*	*			trans	-123.2	148.3	-173.7	0	0	0	0	0	110.3	P92	P92-A94 HydrophobicContact CB-CB 4.3Å; P92-A94 PolarHBondContact O-N 2.93Å
95	G	67.8	Low	58.6	Low	62 Å²	62	118.7 Å²	118.7	64%	0.639	71%	0.706	S	S	*	*	S	Bend	trans	103	5.2	-178.4	0	0	0	0	0	114.5	P109	G95-P109 VanDerWaalsContact O-CD 3.31Å; G95-P109 WeakPolarHBondContact O-CD 3.35Å; G95-P109 VanDerWaalsContact O-CG 3.28Å; G95-P109 WeakPolarHBondContact O-CG 3.23Å
96	G	70.2	Confident	60.2	Low	47 Å²	47	117.5 Å²	117.5	49%	0.485	70%	0.697	S	S	.	*			trans	-98.2	158.3	171.6	0	0	0	0	0	114.4	L107	G96-L107 CarbonylContact C-O 3.58Å; G96-L107 WeakPolarHBondContact CA-O 3.41Å
97	C	71.3	Confident	61.7	Low	81 Å²	81	112.2 Å²	112.2	55%	0.547	67%	0.674	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.7	145.6	174.1	60.6	0	0	0	0	110.9	A106 L107	C97-A106 WeakPolarHBondContact O-CA 2.98Å; C97-L107 PolarHBondContact N-O 2.99Å; C97-L107 PolarHBondContact O-N 2.9Å
98	T	68.7	Low	63.4	Low	124 Å²	124	108.6 Å²	108.6	76%	0.761	67%	0.667	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.1	123.3	177.2	45.6	0	0	0	0	110.2	A106	T98-A106 HydrophobicContact CG2-CB 4.36Å
99	H	71.7	Confident	65.2	Low	81 Å²	81	101.3 Å²	101.3	38%	0.375	64%	0.64	S	S	.	*			trans	-78.8	140.8	179.6	-164.5	-85.3	0	0	0	110.1	S101 M104 G105 L107	H99-S101 PolarHBondContact ND1-N 3.33Å; H99-S101 PolarHBondContact O-N 3.45Å; H99-M104 HydrophobicContact CB-CB 4.09Å; H99-M104 VanDerWaalsContact CE1-CE 3.44Å; H99-M104 WeakPolarHBondContact CE1-CE 3.26Å; H99-G105 PolarHBondContact N-O 2.86Å; H99-L107 HydrophobicContact CB-CD1 4.36Å; H99-L107 HydrophobicContact CB-CG 4.49Å
100	A	66.4	Low	66.8	Low	113 Å²	113	97.1 Å²	97.1	93%	0.934	63%	0.626	S	S	*	*	S	Bend	trans	-67.2	0.9	-175.1	0	0	0	0	0	115.2
101	S	62.4	Low	68.4	Low	53 Å²	53	94.3 Å²	94.3	37%	0.371	62%	0.619	S	S	.	*	S	Bend	trans	-112.7	123.8	176.8	174	0	0	0	0	108.7	H99 A103 M104	H99-S101 PolarHBondContact ND1-N 3.33Å; H99-S101 PolarHBondContact O-N 3.45Å; S101-A103 PolarHBondContact O-N 2.87Å; S101-M104 PolarHBondContact O-N 2.89Å
102	E	66.9	Low	69.9	Low	204 Å²	204	90.4 Å²	90.4	95%	0.953	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-23.1	-179.5	-79.6	-175.6	154.2	0	0	113.2	M104	E102-M104 PolarHBondContact O-N 3.48Å
103	A	66.9	Low	71.4	Confident	96 Å²	96	90.2 Å²	90.2	79%	0.793	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-20	177.5	0	0	0	0	0	114.6	S101	S101-A103 PolarHBondContact O-N 2.87Å
104	M	61.8	Low	72.6	Confident	108 Å²	108	86.7 Å²	86.7	53%	0.532	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.8	-5.4	-174.7	-67.9	-136.1	-73.6	0	0	115.1	H99 S101 E102	H99-M104 HydrophobicContact CB-CB 4.09Å; H99-M104 VanDerWaalsContact CE1-CE 3.44Å; H99-M104 WeakPolarHBondContact CE1-CE 3.26Å; S101-M104 PolarHBondContact O-N 2.89Å; E102-M104 PolarHBondContact O-N 3.48Å
105	G	77.9	Confident	73.5	Confident	41 Å²	41	89.3 Å²	89.3	42%	0.423	58%	0.576	S	S	.	*			trans	56.6	-145.9	169.5	0	0	0	0	0	115.4	H99	H99-G105 PolarHBondContact N-O 2.86Å
106	A	74.2	Confident	74.3	Confident	69 Å²	69	91.3 Å²	91.3	57%	0.57	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.9	124.1	175.8	0	0	0	0	0	110.7	C97 T98	C97-A106 WeakPolarHBondContact O-CA 2.98Å; T98-A106 HydrophobicContact CG2-CB 4.36Å
107	L	74.7	Confident	74.9	Confident	80 Å²	80	91.6 Å²	91.6	42%	0.419	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.1	127.3	176	-62.5	173.4	0	0	0	109.2	G96 C97 H99	G96-L107 CarbonylContact C-O 3.58Å; G96-L107 WeakPolarHBondContact CA-O 3.41Å; C97-L107 PolarHBondContact N-O 2.99Å; C97-L107 PolarHBondContact O-N 2.9Å; H99-L107 HydrophobicContact CB-CD1 4.36Å; H99-L107 HydrophobicContact CB-CG 4.49Å
108	C	75.6	Confident	75.5	Confident	100 Å²	100	93 Å²	93	68%	0.676	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-98.4	160.2	173.6	-67.9	0	0	0	0	111.2	T110	C108-T110 PolarHBondContact O-N 2.81Å
109	P	78.1	Confident	76.2	Confident	47 Å²	47	90.2 Å²	90.2	31%	0.305	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-53.5	140.6	175.5	-24	33.1	0	0	0	111.6	G95 E113	G95-P109 VanDerWaalsContact O-CD 3.31Å; G95-P109 WeakPolarHBondContact O-CD 3.35Å; G95-P109 VanDerWaalsContact O-CG 3.28Å; G95-P109 WeakPolarHBondContact O-CG 3.23Å; P109-E113 VanDerWaalsContact CA-OE2 3.25Å; P109-E113 WeakPolarHBondContact CA-OE2 3.4Å; P109-E113 HydrophobicContact CB-CB 4.34Å
110	T	80.4	Confident	76.7	Confident	79 Å²	79	93.4 Å²	93.4	49%	0.485	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-73	158.3	-179	62.5	0	0	0	0	111.4	C108 C112 E113 L114	C108-T110 PolarHBondContact O-N 2.81Å; T110-C112 PolarHBondContact O-N 2.8Å; T110-E113 PolarHBondContact N-OE2 2.85Å; T110-E113 PolarHBondContact O-N 3.39Å; T110-E113 PolarHBondContact OG1-OE2 2.86Å; T110-L114 PolarHBondContact O-N 2.74Å
111	G	80.2	Confident	77.6	Confident	60 Å²	60	94 Å²	94	62%	0.619	55%	0.547	S	S	*	.	H	α-helix	trans	-57.4	-24.2	175.6	0	0	0	0	0	114	K115	G111-K115 VanDerWaalsContact O-CB 3.31Å; G111-K115 WeakPolarHBondContact O-CB 3.5Å; G111-K115 PolarHBondContact O-N 3.17Å; G111-K115 VanDerWaalsContact O-N 3.11Å
112	C	80.8	Confident	78.7	Confident	88 Å²	88	96.5 Å²	96.5	60%	0.595	55%	0.553	S	S	*	*	H	α-helix	trans	-73	-37.8	173.5	-73.6	0	0	0	0	112.7	T110 N116	T110-C112 PolarHBondContact O-N 2.8Å; C112-N116 WeakPolarHBondContact O-CB 3.38Å; C112-N116 VanDerWaalsContact O-CG 3.26Å; C112-N116 PolarHBondContact O-N 3.08Å; C112-N116 PolarHBondContact O-ND2 3.31Å
113	E	80.6	Confident	79.5	Confident	111 Å²	111	95.5 Å²	95.5	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-68	-43.2	178	-72	169.4	148	0	0	111.2	P109 T110 N116 A117	P109-E113 VanDerWaalsContact CA-OE2 3.25Å; P109-E113 WeakPolarHBondContact CA-OE2 3.4Å; P109-E113 HydrophobicContact CB-CB 4.34Å; T110-E113 PolarHBondContact N-OE2 2.85Å; T110-E113 PolarHBondContact O-N 3.39Å; T110-E113 PolarHBondContact OG1-OE2 2.86Å; E113-N116 PolarHBondContact O-N 3.32Å; E113-A117 WeakPolarHBondContact O-CB 3.44Å; E113-A117 PolarHBondContact O-N 2.74Å
114	L	81.4	Confident	80.3	Confident	99 Å²	99	95.5 Å²	95.5	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-44	175	-71.6	171.3	0	0	0	112	T110 N116 A117 L118	T110-L114 PolarHBondContact O-N 2.74Å; L114-N116 VanDerWaalsContact C-N 3.35Å; L114-N116 PolarHBondContact O-N 3.21Å; L114-A117 PolarHBondContact O-N 2.92Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.86Å
115	K	85.2	Confident	81.4	Confident	133 Å²	133	94.2 Å²	94.2	58%	0.578	53%	0.526	S	S	*	.	H	α-helix	trans	-59.4	-45.4	175.4	178.9	-178.9	175.7	-178.1	0	111.5	G111 L118 L119	G111-K115 VanDerWaalsContact O-CB 3.31Å; G111-K115 WeakPolarHBondContact O-CB 3.5Å; G111-K115 PolarHBondContact O-N 3.17Å; G111-K115 VanDerWaalsContact O-N 3.11Å; K115-L118 PolarHBondContact O-N 3.1Å; K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.42Å; K115-L119 WeakPolarHBondContact O-CB 3.3Å; K115-L119 VanDerWaalsContact O-CG 3.26Å; K115-L119 WeakPolarHBondContact O-CG 3.43Å; K115-L119 PolarHBondContact O-N 3.34Å
116	N	83.9	Confident	81.9	Confident	104 Å²	104	98.5 Å²	98.5	56%	0.556	53%	0.533	S	S	*	.	H	α-helix	trans	-67.7	-38.4	179.7	-74.1	-19.7	0	0	0	112	C112 E113 L114 K120	C112-N116 WeakPolarHBondContact O-CB 3.38Å; C112-N116 VanDerWaalsContact O-CG 3.26Å; C112-N116 PolarHBondContact O-N 3.08Å; C112-N116 PolarHBondContact O-ND2 3.31Å; E113-N116 PolarHBondContact O-N 3.32Å; L114-N116 VanDerWaalsContact C-N 3.35Å; L114-N116 PolarHBondContact O-N 3.21Å; N116-K120 VanDerWaalsContact O-CB 3.31Å; N116-K120 WeakPolarHBondContact O-CB 3.39Å; N116-K120 PolarHBondContact O-N 3.13Å
117	A	82.9	Confident	82.4	Confident	53 Å²	53	99.3 Å²	99.3	44%	0.438	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-45.6	174.7	0	0	0	0	0	111.7	E113 L114 K120 Q121	E113-A117 WeakPolarHBondContact O-CB 3.44Å; E113-A117 PolarHBondContact O-N 2.74Å; L114-A117 PolarHBondContact O-N 2.92Å; A117-K120 PolarHBondContact O-N 2.96Å; A117-Q121 PolarHBondContact O-N 3.09Å
118	L	83.6	Confident	82.9	Confident	111 Å²	111	99.7 Å²	99.7	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-65.4	-43.9	177.3	-75.2	172.6	0	0	0	112.2	L114 K115 K120 Q121 E122	L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.86Å; K115-L118 PolarHBondContact O-N 3.1Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.17Å; L118-Q121 PolarHBondContact O-N 2.57Å; L118-E122 WeakPolarHBondContact O-CB 3.33Å; L118-E122 PolarHBondContact O-N 2.99Å
119	L	84.4	Confident	83.4	Confident	64 Å²	64	99.7 Å²	99.7	34%	0.335	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-33.7	176.6	-74	172	0	0	0	112.1	K115 R123	K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.42Å; K115-L119 WeakPolarHBondContact O-CB 3.3Å; K115-L119 VanDerWaalsContact O-CG 3.26Å; K115-L119 WeakPolarHBondContact O-CG 3.43Å; K115-L119 PolarHBondContact O-N 3.34Å; L119-R123 WeakPolarHBondContact O-CG 3.45Å; L119-R123 PolarHBondContact O-N 3.08Å; L119-R123 VanDerWaalsContact O-N 3.13Å
120	K	82.8	Confident	83.8	Confident	149 Å²	149	102 Å²	102	65%	0.648	54%	0.542	S	S	*	.	H	α-helix	trans	-69.3	-42.3	174.5	-169.3	177.1	-179.2	-178.2	0	111.3	N116 A117 L118 N124	N116-K120 VanDerWaalsContact O-CB 3.31Å; N116-K120 WeakPolarHBondContact O-CB 3.39Å; N116-K120 PolarHBondContact O-N 3.13Å; A117-K120 PolarHBondContact O-N 2.96Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.17Å; K120-N124 PolarHBondContact O-N 2.83Å; K120-N124 PolarHBondContact O-ND2 2.96Å
121	Q	84.5	Confident	84.1	Confident	125 Å²	125	104.4 Å²	104.4	58%	0.584	55%	0.547	S	S	*	.	H	α-helix	trans	-65.9	-44.2	173.8	-79	-175.5	-22.2	0	0	112.2	A117 L118 R123 N124 V125	A117-Q121 PolarHBondContact O-N 3.09Å; L118-Q121 PolarHBondContact O-N 2.57Å; Q121-R123 VanDerWaalsContact C-N 3.35Å; Q121-R123 PolarHBondContact O-N 3.26Å; Q121-N124 PolarHBondContact O-N 3.09Å; Q121-V125 WeakPolarHBondContact O-CB 3.19Å; Q121-V125 VanDerWaalsContact O-CG2 3.28Å; Q121-V125 WeakPolarHBondContact O-CG2 3.49Å; Q121-V125 PolarHBondContact O-N 2.99Å
122	E	85.4	Confident	84.5	Confident	106 Å²	106	105.6 Å²	105.6	50%	0.495	54%	0.539	S	S	.	.	H	α-helix	trans	-58.9	-46.4	179.4	-171.9	-166.7	166.5	0	0	110.7	L118 N124 V125 K126	L118-E122 WeakPolarHBondContact O-CB 3.33Å; L118-E122 PolarHBondContact O-N 2.99Å; E122-N124 PolarHBondContact O-N 3.01Å; E122-V125 PolarHBondContact O-N 2.79Å; E122-K126 WeakPolarHBondContact O-CA 3.44Å; E122-K126 WeakPolarHBondContact O-CB 3.35Å; E122-K126 PolarHBondContact O-N 2.87Å
123	R	83.3	Confident	84.9	Confident	182 Å²	182	107.5 Å²	107.5	69%	0.687	54%	0.537	S	S	*	.	H	α-helix	trans	-59	-48.6	176.8	-75.4	-176	-155.6	176	6.3	111.6	L119 Q121 K126 T127	L119-R123 WeakPolarHBondContact O-CG 3.45Å; L119-R123 PolarHBondContact O-N 3.08Å; L119-R123 VanDerWaalsContact O-N 3.13Å; Q121-R123 VanDerWaalsContact C-N 3.35Å; Q121-R123 PolarHBondContact O-N 3.26Å; R123-K126 PolarHBondContact O-N 2.85Å; R123-T127 PolarHBondContact O-N 3.4Å; R123-T127 PolarHBondContact O-OG1 3.46Å
124	N	84.4	Confident	85.4	Confident	96 Å²	96	105.5 Å²	105.5	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-43.9	-178.5	-68.5	-9.4	0	0	0	111.9	K120 Q121 E122 T127 V128	K120-N124 PolarHBondContact O-N 2.83Å; K120-N124 PolarHBondContact O-ND2 2.96Å; Q121-N124 PolarHBondContact O-N 3.09Å; E122-N124 PolarHBondContact O-N 3.01Å; N124-T127 PolarHBondContact O-OG1 2.91Å; N124-V128 VanDerWaalsContact O-CG2 3.27Å; N124-V128 WeakPolarHBondContact O-CG2 3.46Å; N124-V128 PolarHBondContact O-N 2.92Å
125	V	85.9	Confident	85.8	Confident	82 Å²	82	105.9 Å²	105.9	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-71.5	-40.3	179.9	174.3	0	0	0	0	110.8	Q121 E122 V128 I129	Q121-V125 WeakPolarHBondContact O-CB 3.19Å; Q121-V125 VanDerWaalsContact O-CG2 3.28Å; Q121-V125 WeakPolarHBondContact O-CG2 3.49Å; Q121-V125 PolarHBondContact O-N 2.99Å; E122-V125 PolarHBondContact O-N 2.79Å; V125-V128 PolarHBondContact O-N 3.01Å; V125-I129 HydrophobicContact CG1-CD1 3.68Å; V125-I129 HydrophobicContact CG1-CG1 4.25Å; V125-I129 VanDerWaalsContact O-CG1 3.31Å; V125-I129 WeakPolarHBondContact O-CG1 3.45Å; V125-I129 PolarHBondContact O-N 2.88Å
126	K	86.8	Confident	86	Confident	130 Å²	130	104.1 Å²	104.1	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-64.6	-41.6	179.1	-171.5	173.6	-174.1	172.2	0	111.4	E122 R123 I129 T130	E122-K126 WeakPolarHBondContact O-CA 3.44Å; E122-K126 WeakPolarHBondContact O-CB 3.35Å; E122-K126 PolarHBondContact O-N 2.87Å; R123-K126 PolarHBondContact O-N 2.85Å; K126-I129 PolarHBondContact O-N 2.94Å; K126-T130 WeakPolarHBondContact O-CB 3.49Å; K126-T130 PolarHBondContact O-N 3Å; K126-T130 PolarHBondContact O-OG1 3.37Å
127	T	84.8	Confident	86.3	Confident	87 Å²	87	104.1 Å²	104.1	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-45.4	174	42.2	0	0	0	0	111.5	R123 N124 I129 T130 E131	R123-T127 PolarHBondContact O-N 3.4Å; R123-T127 PolarHBondContact O-OG1 3.46Å; N124-T127 PolarHBondContact O-OG1 2.91Å; T127-I129 PolarHBondContact O-N 2.67Å; T127-T130 PolarHBondContact O-N 3.32Å; T127-E131 WeakPolarHBondContact O-CB 3.32Å; T127-E131 PolarHBondContact O-N 2.9Å
128	V	86.6	Confident	86.7	Confident	87 Å²	87	108.2 Å²	108.2	53%	0.527	54%	0.536	S	S	.	.	H	α-helix	trans	-61.4	-44.6	177.2	172.7	0	0	0	0	111.3	N124 V125 T130 E131 L132	N124-V128 VanDerWaalsContact O-CG2 3.27Å; N124-V128 WeakPolarHBondContact O-CG2 3.46Å; N124-V128 PolarHBondContact O-N 2.92Å; V125-V128 PolarHBondContact O-N 3.01Å; V128-T130 VanDerWaalsContact C-N 3.34Å; V128-T130 PolarHBondContact O-N 2.97Å; V128-E131 PolarHBondContact O-N 2.8Å; V128-L132 WeakPolarHBondContact O-CB 3.45Å; V128-L132 PolarHBondContact O-N 2.84Å
129	I	86.1	Confident	87.1	Confident	100 Å²	100	108.8 Å²	108.8	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-64.5	-40.1	177.6	-69.4	172.5	0	0	0	111.2	V125 K126 T127 E131 K133	V125-I129 HydrophobicContact CG1-CD1 3.68Å; V125-I129 HydrophobicContact CG1-CG1 4.25Å; V125-I129 VanDerWaalsContact O-CG1 3.31Å; V125-I129 WeakPolarHBondContact O-CG1 3.45Å; V125-I129 PolarHBondContact O-N 2.88Å; K126-I129 PolarHBondContact O-N 2.94Å; T127-I129 PolarHBondContact O-N 2.67Å; I129-E131 VanDerWaalsContact C-N 3.3Å; I129-E131 PolarHBondContact O-N 2.84Å; I129-K133 WeakPolarHBondContact O-CB 3.36Å; I129-K133 PolarHBondContact O-N 2.98Å
130	T	85.7	Confident	87.5	Confident	96 Å²	96	108.6 Å²	108.6	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-68.9	-31.7	-178.3	-47.6	0	0	0	0	111.6	K126 T127 V128 P134	K126-T130 WeakPolarHBondContact O-CB 3.49Å; K126-T130 PolarHBondContact O-N 3Å; K126-T130 PolarHBondContact O-OG1 3.37Å; T127-T130 PolarHBondContact O-N 3.32Å; V128-T130 VanDerWaalsContact C-N 3.34Å; V128-T130 PolarHBondContact O-N 2.97Å; T130-P134 WeakPolarHBondContact O-CD 3.3Å
131	E	86.4	Confident	88	Confident	129 Å²	129	109.5 Å²	109.5	60%	0.603	54%	0.542	S	S	*	.	H	α-helix	trans	-80.9	-40.7	176.1	-169.7	173.2	-173.5	0	0	112.6	T127 V128 I129 P134	T127-E131 WeakPolarHBondContact O-CB 3.32Å; T127-E131 PolarHBondContact O-N 2.9Å; V128-E131 PolarHBondContact O-N 2.8Å; I129-E131 VanDerWaalsContact C-N 3.3Å; I129-E131 PolarHBondContact O-N 2.84Å; E131-P134 WeakPolarHBondContact O-CD 3.28Å; E131-P134 WeakPolarHBondContact O-CG 3.16Å
132	L	89.2	Confident	88.4	Confident	86 Å²	86	106.7 Å²	106.7	45%	0.45	54%	0.536	S	S	.	.	H	α-helix	trans	-76.5	-34.6	-175.7	-162.1	78.5	0	0	0	112.8	V128 Q135 I136	V128-L132 WeakPolarHBondContact O-CB 3.45Å; V128-L132 PolarHBondContact O-N 2.84Å; L132-Q135 PolarHBondContact O-N 3.32Å; L132-I136 HydrophobicContact CD2-CD1 3.72Å; L132-I136 HydrophobicContact CG-CD1 3.72Å; L132-I136 HydrophobicContact CG-CG1 4.2Å; L132-I136 WeakPolarHBondContact O-CG1 3.19Å; L132-I136 PolarHBondContact O-N 2.82Å
133	K	89.7	Confident	88.8	Confident	127 Å²	127	105 Å²	105	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-56.5	-51.7	-177.7	-173.8	177.6	179.9	-175.6	0	113.8	I129 Q135 I136 E137	I129-K133 WeakPolarHBondContact O-CB 3.36Å; I129-K133 PolarHBondContact O-N 2.98Å; K133-Q135 VanDerWaalsContact C-N 3.32Å; K133-Q135 PolarHBondContact O-N 3.08Å; K133-I136 PolarHBondContact O-N 3.36Å; K133-E137 VanDerWaalsContact CE-OE1 3.26Å; K133-E137 WeakPolarHBondContact CE-OE1 3.38Å; K133-E137 WeakPolarHBondContact O-CG 3.22Å; K133-E137 PolarHBondContact O-N 2.73Å
134	P	89.8	Confident	89.3	Confident	69 Å²	69	100.2 Å²	100.2	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-35.1	178.4	24.9	-33.9	0	0	0	112.6	T130 E131 E137 E138	T130-P134 WeakPolarHBondContact O-CD 3.3Å; E131-P134 WeakPolarHBondContact O-CD 3.28Å; E131-P134 WeakPolarHBondContact O-CG 3.16Å; P134-E137 PolarHBondContact O-N 3.45Å; P134-E138 WeakPolarHBondContact O-CB 3.38Å; P134-E138 PolarHBondContact O-N 3.36Å
135	Q	90.5	Very high	89.7	Confident	108 Å²	108	100.6 Å²	100.6	51%	0.505	53%	0.526	S	S	.	.	H	α-helix	trans	-64.8	-40.4	176.4	-65.3	178.7	-2.2	0	0	111.9	L132 K133 L139	L132-Q135 PolarHBondContact O-N 3.32Å; K133-Q135 VanDerWaalsContact C-N 3.32Å; K133-Q135 PolarHBondContact O-N 3.08Å; Q135-L139 VanDerWaalsContact O-CB 3.26Å; Q135-L139 WeakPolarHBondContact O-CB 3.4Å; Q135-L139 PolarHBondContact O-N 3.18Å
136	I	90.3	Very high	90	Very high	96 Å²	96	100.7 Å²	100.7	49%	0.492	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-41.5	175	-70.3	170.9	0	0	0	111	L132 K133 S140	L132-I136 HydrophobicContact CD2-CD1 3.72Å; L132-I136 HydrophobicContact CG-CD1 3.72Å; L132-I136 HydrophobicContact CG-CG1 4.2Å; L132-I136 WeakPolarHBondContact O-CG1 3.19Å; L132-I136 PolarHBondContact O-N 2.82Å; K133-I136 PolarHBondContact O-N 3.36Å; I136-S140 VanDerWaalsContact O-CB 3.22Å; I136-S140 WeakPolarHBondContact O-CB 3.44Å; I136-S140 PolarHBondContact O-N 3.46Å
137	E	89.8	Confident	90.3	Very high	103 Å²	103	101.8 Å²	101.8	48%	0.481	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-40.5	177.7	-74.6	179.3	-171.1	0	0	112	K133 P134 S140 R141	K133-E137 VanDerWaalsContact CE-OE1 3.26Å; K133-E137 WeakPolarHBondContact CE-OE1 3.38Å; K133-E137 WeakPolarHBondContact O-CG 3.22Å; K133-E137 PolarHBondContact O-N 2.73Å; P134-E137 PolarHBondContact O-N 3.45Å; E137-S140 PolarHBondContact O-N 3.42Å; E137-R141 WeakPolarHBondContact O-CB 3.4Å; E137-R141 PolarHBondContact O-N 3.46Å
138	E	90.6	Very high	90.8	Very high	140 Å²	140	102.3 Å²	102.3	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-45.7	175.3	-173.5	175.1	-173.6	0	0	111.8	P134 S140 R141 S142	P134-E138 WeakPolarHBondContact O-CB 3.38Å; P134-E138 PolarHBondContact O-N 3.36Å; E138-S140 VanDerWaalsContact C-N 3.34Å; E138-S140 PolarHBondContact O-N 3.02Å; E138-R141 PolarHBondContact O-N 3.2Å; E138-S142 WeakPolarHBondContact O-CB 3.49Å; E138-S142 PolarHBondContact O-N 3.32Å
139	L	92.8	Very high	91.1	Very high	123 Å²	123	105.9 Å²	105.9	64%	0.644	53%	0.533	S	S	*	.	H	α-helix	trans	-60.8	-43.4	175.1	179.8	62	0	0	0	111.4	Q135 S142 S143	Q135-L139 VanDerWaalsContact O-CB 3.26Å; Q135-L139 WeakPolarHBondContact O-CB 3.4Å; Q135-L139 PolarHBondContact O-N 3.18Å; L139-S142 PolarHBondContact O-N 2.96Å; L139-S143 WeakPolarHBondContact O-CB 3.27Å; L139-S143 PolarHBondContact O-N 3.43Å
140	S	92.5	Very high	91.4	Very high	59 Å²	59	105.2 Å²	105.2	41%	0.413	53%	0.534	S	S	.	.	H	α-helix	trans	-61.9	-44.2	176.4	-175.9	0	0	0	0	111.4	I136 E137 E138 S143 N144	I136-S140 VanDerWaalsContact O-CB 3.22Å; I136-S140 WeakPolarHBondContact O-CB 3.44Å; I136-S140 PolarHBondContact O-N 3.46Å; E137-S140 PolarHBondContact O-N 3.42Å; E138-S140 VanDerWaalsContact C-N 3.34Å; E138-S140 PolarHBondContact O-N 3.02Å; S140-S143 PolarHBondContact O-N 3.28Å; S140-N144 WeakPolarHBondContact O-CB 3.29Å; S140-N144 VanDerWaalsContact O-CG 3.26Å; S140-N144 PolarHBondContact O-N 3.39Å; S140-N144 PolarHBondContact O-ND2 2.73Å
141	R	92.3	Very high	91.8	Very high	169 Å²	169	104 Å²	104	64%	0.638	52%	0.523	S	S	*	.	H	α-helix	trans	-62.1	-46.8	176.8	-169.7	-176.1	-59.1	171.4	3.7	111.8	E137 E138 N144 N145	E137-R141 WeakPolarHBondContact O-CB 3.4Å; E137-R141 PolarHBondContact O-N 3.46Å; E138-R141 PolarHBondContact O-N 3.2Å; R141-N144 PolarHBondContact O-N 3.2Å; R141-N145 VanDerWaalsContact O-CG 3.31Å; R141-N145 PolarHBondContact O-N 3.13Å
142	S	94.3	Very high	92.2	Very high	65 Å²	65	99.3 Å²	99.3	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-46	177.3	-174.5	0	0	0	0	111.6	E138 L139 N144 N145 V146	E138-S142 WeakPolarHBondContact O-CB 3.49Å; E138-S142 PolarHBondContact O-N 3.32Å; L139-S142 PolarHBondContact O-N 2.96Å; S142-N144 PolarHBondContact O-N 3.33Å; S142-N145 WeakPolarHBondContact O-CB 3.46Å; S142-N145 PolarHBondContact O-N 3.42Å; S142-V146 WeakPolarHBondContact O-CG2 3.2Å; S142-V146 PolarHBondContact O-N 3.16Å
143	S	93.3	Very high	92.4	Very high	70 Å²	70	98.7 Å²	98.7	49%	0.49	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-43.3	177.1	-174	0	0	0	0	112.2	L139 S140 N145 V146 Y147	L139-S143 WeakPolarHBondContact O-CB 3.27Å; L139-S143 PolarHBondContact O-N 3.43Å; S140-S143 PolarHBondContact O-N 3.28Å; S143-N145 PolarHBondContact O-N 2.9Å; S143-V146 PolarHBondContact O-N 3.3Å; S143-Y147 VanDerWaalsContact O-CB 3.3Å; S143-Y147 WeakPolarHBondContact O-CB 3.41Å; S143-Y147 PolarHBondContact O-N 2.91Å
144	N	92.9	Very high	92.7	Very high	83 Å²	83	94.7 Å²	94.7	44%	0.444	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-39	176	-75.4	-40.2	0	0	0	112.4	S140 R141 S142 Y147 N148	S140-N144 WeakPolarHBondContact O-CB 3.29Å; S140-N144 VanDerWaalsContact O-CG 3.26Å; S140-N144 PolarHBondContact O-N 3.39Å; S140-N144 PolarHBondContact O-ND2 2.73Å; R141-N144 PolarHBondContact O-N 3.2Å; S142-N144 PolarHBondContact O-N 3.33Å; N144-Y147 PolarHBondContact O-N 3.43Å; N144-N148 WeakPolarHBondContact O-CB 3.48Å; N144-N148 PolarHBondContact O-N 3.21Å; N144-N148 PolarHBondContact O-ND2 2.96Å
145	N	93.1	Very high	92.9	Very high	103 Å²	103	94.8 Å²	94.8	55%	0.551	49%	0.491	S	S	*	.	H	α-helix	trans	-63.8	-46.1	175.3	-72.9	-17.2	0	0	0	111.6	R141 S142 S143 N148 Y149	R141-N145 VanDerWaalsContact O-CG 3.31Å; R141-N145 PolarHBondContact O-N 3.13Å; S142-N145 WeakPolarHBondContact O-CB 3.46Å; S142-N145 PolarHBondContact O-N 3.42Å; S143-N145 PolarHBondContact O-N 2.9Å; N145-N148 PolarHBondContact O-N 3.13Å; N145-Y149 WeakPolarHBondContact O-CB 3.29Å; N145-Y149 PolarHBondContact O-N 3.02Å
146	V	93	Very high	93.1	Very high	85 Å²	85	93.6 Å²	93.6	52%	0.515	50%	0.495	S	S	.	.	H	α-helix	trans	-62.5	-44.4	176.2	173.7	0	0	0	0	110.6	S142 S143 N148 Y149 V150	S142-V146 WeakPolarHBondContact O-CG2 3.2Å; S142-V146 PolarHBondContact O-N 3.16Å; S143-V146 PolarHBondContact O-N 3.3Å; V146-N148 PolarHBondContact O-N 2.9Å; V146-Y149 PolarHBondContact O-N 2.91Å; V146-V150 HydrophobicContact CG1-CG2 4.21Å; V146-V150 WeakPolarHBondContact O-CB 3.34Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.24Å; V146-V150 PolarHBondContact O-N 3.33Å
147	Y	93.5	Very high	93.2	Very high	153 Å²	153	93.9 Å²	93.9	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-58.4	-48.7	177	178.6	-95.4	0	0	0	111.7	S143 N144 Y149 V150 N151	S143-Y147 VanDerWaalsContact O-CB 3.3Å; S143-Y147 WeakPolarHBondContact O-CB 3.41Å; S143-Y147 PolarHBondContact O-N 2.91Å; N144-Y147 PolarHBondContact O-N 3.43Å; Y147-Y149 VanDerWaalsContact C-N 3.34Å; Y147-Y149 PolarHBondContact O-N 3.37Å; Y147-V150 PolarHBondContact O-N 2.99Å; Y147-N151 WeakPolarHBondContact O-CB 3.43Å; Y147-N151 PolarHBondContact O-N 2.82Å
148	N	93.6	Very high	93.4	Very high	98 Å²	98	97 Å²	97	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-39.9	178.7	-72.6	-27.5	0	0	0	112	N144 N145 V146 G152	N144-N148 WeakPolarHBondContact O-CB 3.48Å; N144-N148 PolarHBondContact O-N 3.21Å; N144-N148 PolarHBondContact O-ND2 2.96Å; N145-N148 PolarHBondContact O-N 3.13Å; V146-N148 PolarHBondContact O-N 2.9Å; N148-G152 PolarHBondContact O-N 3.22Å
149	Y	93.5	Very high	93.5	Very high	161 Å²	161	95.5 Å²	95.5	63%	0.631	50%	0.497	S	S	*	.	H	α-helix	trans	-65.9	-48.5	177	-177.5	-104.2	0	0	0	112.3	N145 V146 Y147 N151 G152 I153	N145-Y149 WeakPolarHBondContact O-CB 3.29Å; N145-Y149 PolarHBondContact O-N 3.02Å; V146-Y149 PolarHBondContact O-N 2.91Å; Y147-Y149 VanDerWaalsContact C-N 3.34Å; Y147-Y149 PolarHBondContact O-N 3.37Å; Y149-N151 VanDerWaalsContact C-N 3.33Å; Y149-N151 PolarHBondContact O-N 3Å; Y149-G152 PolarHBondContact O-N 2.9Å; Y149-I153 HydrophobicContact CD1-CD1 3.84Å; Y149-I153 HydrophobicContact CE1-CD1 3.22Å; Y149-I153 HydrophobicContact CE1-CG1 4.22Å; Y149-I153 HydrophobicContact CE2-CD1 4.26Å; Y149-I153 VanDerWaalsContact CZ-CD1 3.47Å; Y149-I153 PolarHBondContact O-N 2.78Å
150	V	93.7	Very high	93.5	Very high	87 Å²	87	98.7 Å²	98.7	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177.4	171.7	0	0	0	0	110.8	V146 Y147 G152 I153 S154	V146-V150 HydrophobicContact CG1-CG2 4.21Å; V146-V150 WeakPolarHBondContact O-CB 3.34Å; V146-V150 VanDerWaalsContact O-CG2 3.3Å; V146-V150 WeakPolarHBondContact O-CG2 3.24Å; V146-V150 PolarHBondContact O-N 3.33Å; Y147-V150 PolarHBondContact O-N 2.99Å; V150-G152 VanDerWaalsContact C-N 3.34Å; V150-I153 PolarHBondContact O-N 2.73Å; V150-S154 WeakPolarHBondContact O-CB 3.43Å; V150-S154 PolarHBondContact O-N 3.16Å
151	N	93.8	Very high	93.6	Very high	69 Å²	69	100.8 Å²	100.8	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-64.7	-40.1	175.8	-167.4	42.9	0	0	0	111.5	Y147 Y149 S154 N155	Y147-N151 WeakPolarHBondContact O-CB 3.43Å; Y147-N151 PolarHBondContact O-N 2.82Å; Y149-N151 VanDerWaalsContact C-N 3.33Å; Y149-N151 PolarHBondContact O-N 3Å; N151-S154 PolarHBondContact O-N 3.41Å; N151-N155 VanDerWaalsContact O-CG 3.26Å; N151-N155 PolarHBondContact O-N 3.3Å; N151-N155 PolarHBondContact O-ND2 3.07Å
152	G	94.9	Very high	93.6	Very high	32 Å²	32	100.8 Å²	100.8	33%	0.33	50%	0.504	S	S	.	.	H	α-helix	trans	-58.1	-50.6	172.6	0	0	0	0	0	112.4	N148 Y149 V150 S154 N155 S156	N148-G152 PolarHBondContact O-N 3.22Å; Y149-G152 PolarHBondContact O-N 2.9Å; V150-G152 VanDerWaalsContact C-N 3.34Å; G152-S154 PolarHBondContact O-N 2.85Å; G152-N155 PolarHBondContact O-N 2.81Å; G152-S156 PolarHBondContact O-N 3.47Å; G152-S156 PolarHBondContact O-OG 2.92Å
153	I	93.4	Very high	93.6	Very high	72 Å²	72	101.3 Å²	101.3	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-59.7	-46.4	176.1	-71.8	178.8	0	0	0	111.2	Y149 V150 N155 S156 L157	Y149-I153 HydrophobicContact CD1-CD1 3.84Å; Y149-I153 HydrophobicContact CE1-CD1 3.22Å; Y149-I153 HydrophobicContact CE1-CG1 4.22Å; Y149-I153 HydrophobicContact CE2-CD1 4.26Å; Y149-I153 VanDerWaalsContact CZ-CD1 3.47Å; Y149-I153 PolarHBondContact O-N 2.78Å; V150-I153 PolarHBondContact O-N 2.73Å; I153-N155 VanDerWaalsContact C-N 3.28Å; I153-N155 PolarHBondContact O-N 2.78Å; I153-S156 PolarHBondContact O-N 3.44Å; I153-L157 HydrophobicContact CG2-CD1 3.78Å; I153-L157 HydrophobicContact CG2-CG 4.15Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 2.97Å
154	S	94.8	Very high	93.7	Very high	44 Å²	44	103.4 Å²	103.4	31%	0.308	51%	0.505	S	S	.	.	H	α-helix	trans	-57.5	-43.2	179.5	-173.8	0	0	0	0	111.3	V150 N151 G152 L157 R158	V150-S154 WeakPolarHBondContact O-CB 3.43Å; V150-S154 PolarHBondContact O-N 3.16Å; N151-S154 PolarHBondContact O-N 3.41Å; G152-S154 PolarHBondContact O-N 2.85Å; S154-L157 PolarHBondContact O-N 3.1Å; S154-R158 VanDerWaalsContact O-CG 3.32Å; S154-R158 WeakPolarHBondContact O-CG 3.33Å; S154-R158 PolarHBondContact O-N 2.94Å
155	N	93.8	Very high	93.7	Very high	71 Å²	71	103.1 Å²	103.1	38%	0.38	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-45	175.5	-68.4	-27.2	0	0	0	112	N151 G152 I153 L157 R158 E159	N151-N155 VanDerWaalsContact O-CG 3.26Å; N151-N155 PolarHBondContact O-N 3.3Å; N151-N155 PolarHBondContact O-ND2 3.07Å; G152-N155 PolarHBondContact O-N 2.81Å; I153-N155 VanDerWaalsContact C-N 3.28Å; I153-N155 PolarHBondContact O-N 2.78Å; N155-L157 VanDerWaalsContact C-N 3.33Å; N155-L157 PolarHBondContact O-N 2.56Å; N155-R158 PolarHBondContact O-N 2.99Å; N155-E159 PolarHBondContact O-N 3.09Å
156	S	94.7	Very high	93.8	Very high	83 Å²	83	101.2 Å²	101.2	58%	0.58	50%	0.496	S	S	*	.	H	α-helix	trans	-62.2	-37.4	176.3	-62.1	0	0	0	0	113.1	G152 I153 R160	G152-S156 PolarHBondContact O-N 3.47Å; G152-S156 PolarHBondContact O-OG 2.92Å; I153-S156 PolarHBondContact O-N 3.44Å; S156-R160 WeakPolarHBondContact O-CB 3.29Å; S156-R160 PolarHBondContact O-N 3.13Å
157	L	93.9	Very high	93.9	Very high	102 Å²	102	101.8 Å²	101.8	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-68.1	-40.7	175.5	-74	175.1	0	0	0	111.7	I153 S154 N155 R160 Q161	I153-L157 HydrophobicContact CG2-CD1 3.78Å; I153-L157 HydrophobicContact CG2-CG 4.15Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 2.97Å; S154-L157 PolarHBondContact O-N 3.1Å; N155-L157 VanDerWaalsContact C-N 3.33Å; N155-L157 PolarHBondContact O-N 2.56Å; L157-R160 PolarHBondContact O-N 3.19Å; L157-Q161 WeakPolarHBondContact O-CB 3.39Å; L157-Q161 PolarHBondContact O-N 3.04Å
158	R	92.7	Very high	93.9	Very high	169 Å²	169	98.3 Å²	98.3	64%	0.638	49%	0.487	S	S	*	.	H	α-helix	trans	-61.4	-45.1	174	-76	174.2	177.2	-175.9	-0.8	111.8	S154 N155 Q161 R162	S154-R158 VanDerWaalsContact O-CG 3.32Å; S154-R158 WeakPolarHBondContact O-CG 3.33Å; S154-R158 PolarHBondContact O-N 2.94Å; N155-R158 PolarHBondContact O-N 2.99Å; R158-Q161 PolarHBondContact O-N 3.33Å; R158-R162 PolarHBondContact O-N 3.42Å
159	E	92.8	Very high	94	Very high	108 Å²	108	99.5 Å²	99.5	51%	0.505	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-41.8	176.7	-70.9	-53.8	146.7	0	0	112	N155 Q161 R162 V163	N155-E159 PolarHBondContact O-N 3.09Å; E159-Q161 VanDerWaalsContact C-N 3.32Å; E159-Q161 PolarHBondContact O-N 2.63Å; E159-R162 WeakPolarHBondContact O-CB 3.35Å; E159-R162 PolarHBondContact O-N 2.85Å; E159-R162 VanDerWaalsContact O-N 3.17Å; E159-V163 WeakPolarHBondContact O-CG2 3.42Å; E159-V163 PolarHBondContact O-N 3.11Å
160	R	94.1	Very high	94.1	Very high	189 Å²	189	94.7 Å²	94.7	71%	0.713	48%	0.477	S	S	*	.	H	α-helix	trans	-58.8	-44	173.3	177.8	177	-78.4	-173.6	-4.1	111.6	S156 L157 R162 V163 F164	S156-R160 WeakPolarHBondContact O-CB 3.29Å; S156-R160 PolarHBondContact O-N 3.13Å; L157-R160 PolarHBondContact O-N 3.19Å; R160-R162 VanDerWaalsContact C-N 3.31Å; R160-R162 PolarHBondContact O-N 3.17Å; R160-V163 PolarHBondContact O-N 3.25Å; R160-F164 VanDerWaalsContact O-CB 3.32Å; R160-F164 WeakPolarHBondContact O-CB 3.23Å; R160-F164 PolarHBondContact O-N 3.19Å
161	Q	93.4	Very high	94.2	Very high	104 Å²	104	93 Å²	93	49%	0.486	47%	0.472	S	S	.	.	H	α-helix	trans	-62.6	-40.6	177.2	-172.3	64	43.6	0	0	111.4	L157 R158 E159 F164 N165	L157-Q161 WeakPolarHBondContact O-CB 3.39Å; L157-Q161 PolarHBondContact O-N 3.04Å; R158-Q161 PolarHBondContact O-N 3.33Å; E159-Q161 VanDerWaalsContact C-N 3.32Å; E159-Q161 PolarHBondContact O-N 2.63Å; Q161-F164 PolarHBondContact O-N 3.12Å; Q161-N165 PolarHBondContact NE2-OD1 2.81Å; Q161-N165 WeakPolarHBondContact O-CB 3.22Å; Q161-N165 PolarHBondContact O-N 3.19Å; Q161-N165 PolarHBondContact O-ND2 2.83Å; Q161-N165 PolarHBondContact O-OD1 2.8Å
162	R	93	Very high	94.3	Very high	168 Å²	168	92.6 Å²	92.6	63%	0.634	48%	0.475	S	S	*	.	H	α-helix	trans	-61.5	-50.6	176	-174.5	-177.7	179.8	147.4	2.6	111.4	R158 E159 R160 F164 N165 T166	R158-R162 PolarHBondContact O-N 3.42Å; E159-R162 WeakPolarHBondContact O-CB 3.35Å; E159-R162 PolarHBondContact O-N 2.85Å; E159-R162 VanDerWaalsContact O-N 3.17Å; R160-R162 VanDerWaalsContact C-N 3.31Å; R160-R162 PolarHBondContact O-N 3.17Å; R162-F164 VanDerWaalsContact C-N 3.33Å; R162-F164 PolarHBondContact O-N 3.45Å; R162-N165 PolarHBondContact O-N 3.45Å; R162-T166 PolarHBondContact O-N 3.27Å; R162-T166 PolarHBondContact O-OG1 2.72Å
163	V	94.4	Very high	94.3	Very high	77 Å²	77	96.8 Å²	96.8	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-42.9	178.2	172.8	0	0	0	0	111	E159 R160 N165 T166 N167	E159-V163 WeakPolarHBondContact O-CG2 3.42Å; E159-V163 PolarHBondContact O-N 3.11Å; R160-V163 PolarHBondContact O-N 3.25Å; V163-N165 PolarHBondContact O-N 3.37Å; V163-T166 PolarHBondContact O-N 3.17Å; V163-N167 WeakPolarHBondContact O-CB 3.4Å; V163-N167 VanDerWaalsContact O-CG 3.28Å; V163-N167 PolarHBondContact O-N 3.27Å
164	F	95	Very high	94.4	Very high	113 Å²	113	100.6 Å²	100.6	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-46.2	176.3	-178.8	-100.2	0	0	0	111.8	R160 Q161 R162 T166 N167 N168	R160-F164 VanDerWaalsContact O-CB 3.32Å; R160-F164 WeakPolarHBondContact O-CB 3.23Å; R160-F164 PolarHBondContact O-N 3.19Å; Q161-F164 PolarHBondContact O-N 3.12Å; R162-F164 VanDerWaalsContact C-N 3.33Å; R162-F164 PolarHBondContact O-N 3.45Å; F164-T166 PolarHBondContact O-N 3.09Å; F164-N167 PolarHBondContact O-N 2.96Å; F164-N168 WeakPolarHBondContact CD1-ND2 3.47Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.36Å; F164-N168 VanDerWaalsContact CZ-ND2 3.31Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.29Å; F164-N168 PolarHBondContact O-N 2.98Å; F164-N168 PolarHBondContact O-ND2 3.05Å
165	N	93.6	Very high	94.5	Very high	77 Å²	77	101.9 Å²	101.9	41%	0.412	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-42.6	177.5	-67.3	-10.9	0	0	0	111.7	Q161 R162 V163 N168 Q169	Q161-N165 PolarHBondContact NE2-OD1 2.81Å; Q161-N165 WeakPolarHBondContact O-CB 3.22Å; Q161-N165 PolarHBondContact O-N 3.19Å; Q161-N165 PolarHBondContact O-ND2 2.83Å; Q161-N165 PolarHBondContact O-OD1 2.8Å; R162-N165 PolarHBondContact O-N 3.45Å; V163-N165 PolarHBondContact O-N 3.37Å; N165-N168 PolarHBondContact O-N 2.79Å; N165-Q169 WeakPolarHBondContact O-CG 3.28Å; N165-Q169 PolarHBondContact O-N 2.8Å
166	T	94.4	Very high	94.6	Very high	64 Å²	64	102.2 Å²	102.2	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-65.7	-42.8	176.9	-58.2	0	0	0	0	112	R162 V163 F164 N168 Q169 V170	R162-T166 PolarHBondContact O-N 3.27Å; R162-T166 PolarHBondContact O-OG1 2.72Å; V163-T166 PolarHBondContact O-N 3.17Å; F164-T166 PolarHBondContact O-N 3.09Å; T166-N168 VanDerWaalsContact C-N 3.32Å; T166-N168 PolarHBondContact O-N 2.98Å; T166-Q169 WeakPolarHBondContact O-CB 3.36Å; T166-Q169 PolarHBondContact O-N 2.9Å; T166-V170 WeakPolarHBondContact O-CG2 3.21Å; T166-V170 PolarHBondContact O-N 3.45Å
167	N	94.8	Very high	94.7	Very high	97 Å²	97	103.6 Å²	103.6	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-39.8	176.7	-73.3	-6.5	0	0	0	111.7	V163 F164 Q169 V170 A171	V163-N167 WeakPolarHBondContact O-CB 3.4Å; V163-N167 VanDerWaalsContact O-CG 3.28Å; V163-N167 PolarHBondContact O-N 3.27Å; F164-N167 PolarHBondContact O-N 2.96Å; N167-Q169 VanDerWaalsContact C-N 3.34Å; N167-Q169 PolarHBondContact O-N 2.85Å; N167-V170 PolarHBondContact O-N 3.45Å; N167-A171 WeakPolarHBondContact O-CB 3.22Å; N167-A171 PolarHBondContact O-N 2.06Å
168	N	94.7	Very high	94.8	Very high	79 Å²	79	103 Å²	103	42%	0.422	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-38	175	-73.3	-18.5	0	0	0	112.2	F164 N165 T166 A171 S172	F164-N168 WeakPolarHBondContact CD1-ND2 3.47Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.36Å; F164-N168 VanDerWaalsContact CZ-ND2 3.31Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.29Å; F164-N168 PolarHBondContact O-N 2.98Å; F164-N168 PolarHBondContact O-ND2 3.05Å; N165-N168 PolarHBondContact O-N 2.79Å; T166-N168 VanDerWaalsContact C-N 3.32Å; T166-N168 PolarHBondContact O-N 2.98Å; N168-A171 PolarHBondContact O-N 3.29Å; N168-S172 WeakPolarHBondContact O-CB 3.37Å; N168-S172 PolarHBondContact O-N 3.26Å
169	Q	94.7	Very high	95	Very high	124 Å²	124	100.8 Å²	100.8	58%	0.579	50%	0.499	S	S	*	.	H	α-helix	trans	-62.9	-45.1	174.2	-73.8	176.1	-27.3	0	0	111.6	N165 T166 N167 S172 Q173	N165-Q169 WeakPolarHBondContact O-CG 3.28Å; N165-Q169 PolarHBondContact O-N 2.8Å; T166-Q169 WeakPolarHBondContact O-CB 3.36Å; T166-Q169 PolarHBondContact O-N 2.9Å; N167-Q169 VanDerWaalsContact C-N 3.34Å; N167-Q169 PolarHBondContact O-N 2.85Å; Q169-S172 WeakPolarHBondContact O-CB 3.5Å; Q169-S172 PolarHBondContact O-N 3.36Å; Q169-Q173 WeakPolarHBondContact O-CG 3.45Å; Q169-Q173 PolarHBondContact O-N 2.84Å
170	V	95.8	Very high	95.1	Very high	59 Å²	59	101.2 Å²	101.2	36%	0.358	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-44.8	177.1	173.4	0	0	0	0	110.8	T166 N167 S172 Q173 Y174	T166-V170 WeakPolarHBondContact O-CG2 3.21Å; T166-V170 PolarHBondContact O-N 3.45Å; N167-V170 PolarHBondContact O-N 3.45Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.85Å; V170-Q173 PolarHBondContact O-N 3.17Å; V170-Y174 HydrophobicContact CG1-CD2 3.59Å; V170-Y174 HydrophobicContact CG1-CE2 3.58Å; V170-Y174 VanDerWaalsContact O-CD2 3.31Å; V170-Y174 WeakPolarHBondContact O-CD2 3.41Å; V170-Y174 PolarHBondContact O-N 2.97Å
171	A	96	Very high	95.2	Very high	52 Å²	52	98.5 Å²	98.5	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-39.8	176.4	0	0	0	0	0	112.3	N167 N168 T175	N167-A171 WeakPolarHBondContact O-CB 3.22Å; N167-A171 PolarHBondContact O-N 2.06Å; N168-A171 PolarHBondContact O-N 3.29Å; A171-T175 WeakPolarHBondContact O-CB 3.49Å; A171-T175 PolarHBondContact O-N 3.32Å; A171-T175 PolarHBondContact O-OG1 2.86Å
172	S	94.9	Very high	95.3	Very high	61 Å²	61	99 Å²	99	43%	0.427	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-49.1	173.2	-167.4	0	0	0	0	110.8	N168 Q169 V170 Y174 T175 D176	N168-S172 WeakPolarHBondContact O-CB 3.37Å; N168-S172 PolarHBondContact O-N 3.26Å; Q169-S172 WeakPolarHBondContact O-CB 3.5Å; Q169-S172 PolarHBondContact O-N 3.36Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.85Å; S172-Y174 VanDerWaalsContact C-N 3.34Å; S172-Y174 PolarHBondContact O-N 2.92Å; S172-T175 WeakPolarHBondContact O-CB 3.23Å; S172-T175 PolarHBondContact O-N 2.03Å; S172-T175 VanDerWaalsContact O-N 3.09Å; S172-D176 PolarHBondContact O-N 3.16Å
173	Q	95.5	Very high	95.4	Very high	119 Å²	119	93.6 Å²	93.6	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-59.8	-42.1	179.2	-73.9	175.8	-9	0	0	112.8	Q169 V170 D176 Q177	Q169-Q173 WeakPolarHBondContact O-CG 3.45Å; Q169-Q173 PolarHBondContact O-N 2.84Å; V170-Q173 PolarHBondContact O-N 3.17Å; Q173-D176 PolarHBondContact O-N 3.46Å; Q173-Q177 WeakPolarHBondContact O-CG 3.1Å; Q173-Q177 PolarHBondContact O-N 3.02Å
174	Y	96	Very high	95.5	Very high	152 Å²	152	97.4 Å²	97.4	60%	0.596	50%	0.501	S	S	*	.	H	α-helix	trans	-66.4	-39.3	174.9	-87.2	-72.4	0	0	0	111.9	V170 S172 Q177 V178	V170-Y174 HydrophobicContact CG1-CD2 3.59Å; V170-Y174 HydrophobicContact CG1-CE2 3.58Å; V170-Y174 VanDerWaalsContact O-CD2 3.31Å; V170-Y174 WeakPolarHBondContact O-CD2 3.41Å; V170-Y174 PolarHBondContact O-N 2.97Å; S172-Y174 VanDerWaalsContact C-N 3.34Å; S172-Y174 PolarHBondContact O-N 2.92Å; Y174-Q177 PolarHBondContact O-N 2.92Å; Y174-V178 VanDerWaalsContact O-CG2 3.3Å; Y174-V178 WeakPolarHBondContact O-CG2 3.47Å; Y174-V178 PolarHBondContact O-N 3.48Å
175	T	96.6	Very high	95.6	Very high	71 Å²	71	96.3 Å²	96.3	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-49.5	174.9	-55.6	0	0	0	0	110.6	A171 S172 Q177 V178 E179	A171-T175 WeakPolarHBondContact O-CB 3.49Å; A171-T175 PolarHBondContact O-N 3.32Å; A171-T175 PolarHBondContact O-OG1 2.86Å; S172-T175 WeakPolarHBondContact O-CB 3.23Å; S172-T175 PolarHBondContact O-N 2.03Å; S172-T175 VanDerWaalsContact O-N 3.09Å; T175-Q177 VanDerWaalsContact C-N 3.33Å; T175-Q177 PolarHBondContact O-N 3.46Å; T175-V178 PolarHBondContact O-N 2.92Å; T175-V178 VanDerWaalsContact O-N 3.12Å; T175-E179 HydrophobicContact CG2-CG 4.44Å; T175-E179 WeakPolarHBondContact O-CG 3.3Å; T175-E179 PolarHBondContact O-N 3.24Å
176	D	96.2	Very high	95.7	Very high	79 Å²	79	98.2 Å²	98.2	42%	0.422	50%	0.504	S	S	.	.	H	α-helix	trans	-57.9	-44.9	178.8	-60.5	-23.2	0	0	0	111.1	S172 Q173 V178 E179 D180	S172-D176 PolarHBondContact O-N 3.16Å; Q173-D176 PolarHBondContact O-N 3.46Å; D176-V178 PolarHBondContact O-N 3.1Å; D176-E179 PolarHBondContact O-N 3.32Å; D176-D180 PolarHBondContact O-N 3.32Å
177	Q	96	Very high	95.8	Very high	111 Å²	111	100.6 Å²	100.6	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-39.6	177	-75.2	178.6	-2.4	0	0	113.1	Q173 Y174 T175 Q181	Q173-Q177 WeakPolarHBondContact O-CG 3.1Å; Q173-Q177 PolarHBondContact O-N 3.02Å; Y174-Q177 PolarHBondContact O-N 2.92Å; T175-Q177 VanDerWaalsContact C-N 3.33Å; T175-Q177 PolarHBondContact O-N 3.46Å; Q177-Q181 WeakPolarHBondContact O-CG 3.39Å; Q177-Q181 PolarHBondContact O-N 3.27Å
178	V	96.9	Very high	95.8	Very high	90 Å²	90	96.8 Å²	96.8	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-69.8	-38.7	177.6	170.4	0	0	0	0	110.6	Y174 T175 D176 Q181 H182	Y174-V178 VanDerWaalsContact O-CG2 3.3Å; Y174-V178 WeakPolarHBondContact O-CG2 3.47Å; Y174-V178 PolarHBondContact O-N 3.48Å; T175-V178 PolarHBondContact O-N 2.92Å; T175-V178 VanDerWaalsContact O-N 3.12Å; D176-V178 PolarHBondContact O-N 3.1Å; V178-Q181 PolarHBondContact O-N 2.56Å; V178-H182 VanDerWaalsContact O-CB 3.28Å; V178-H182 WeakPolarHBondContact O-CB 3.44Å; V178-H182 PolarHBondContact O-N 2.78Å
179	E	95.6	Very high	95.9	Very high	122 Å²	122	97.4 Å²	97.4	57%	0.57	49%	0.493	S	S	*	.	H	α-helix	trans	-64	-42.7	175	-73.6	-172.9	179.5	0	0	111.8	T175 D176 H182 A183	T175-E179 HydrophobicContact CG2-CG 4.44Å; T175-E179 WeakPolarHBondContact O-CG 3.3Å; T175-E179 PolarHBondContact O-N 3.24Å; D176-E179 PolarHBondContact O-N 3.32Å; E179-H182 PolarHBondContact O-N 2.81Å; E179-A183 WeakPolarHBondContact O-CB 3.3Å; E179-A183 PolarHBondContact O-N 3.38Å
180	D	95.7	Very high	96	Very high	117 Å²	117	96.2 Å²	96.2	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-60.6	-46	174.7	-77.7	-18.9	0	0	0	111.7	D176 A183 Y184	D176-D180 PolarHBondContact O-N 3.32Å; D180-A183 PolarHBondContact O-N 3.05Å; D180-Y184 PolarHBondContact O-N 3.09Å
181	Q	95.6	Very high	95.9	Very high	133 Å²	133	97 Å²	97	62%	0.621	50%	0.495	S	S	*	.	H	α-helix	trans	-63.6	-41.4	175.8	-74.4	-175.9	-7	0	0	112	Q177 V178 Y184 I185	Q177-Q181 WeakPolarHBondContact O-CG 3.39Å; Q177-Q181 PolarHBondContact O-N 3.27Å; V178-Q181 PolarHBondContact O-N 2.56Å; Q181-Y184 PolarHBondContact O-N 3.05Å; Q181-I185 WeakPolarHBondContact O-CG1 3.32Å; Q181-I185 PolarHBondContact O-N 2.79Å
182	H	96.1	Very high	95.9	Very high	115 Å²	115	97.6 Å²	97.6	53%	0.532	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-42.5	176.6	-178.9	73	0	0	0	111.5	V178 E179 Y184 I185 K186	V178-H182 VanDerWaalsContact O-CB 3.28Å; V178-H182 WeakPolarHBondContact O-CB 3.44Å; V178-H182 PolarHBondContact O-N 2.78Å; E179-H182 PolarHBondContact O-N 2.81Å; H182-Y184 PolarHBondContact O-N 2.91Å; H182-I185 PolarHBondContact O-N 3.18Å; H182-K186 WeakPolarHBondContact O-CB 3.41Å; H182-K186 PolarHBondContact O-N 3.1Å
183	A	95.5	Very high	96	Very high	53 Å²	53	100 Å²	100	44%	0.438	49%	0.494	S	S	.	.	H	α-helix	trans	-60.6	-44.2	176.9	0	0	0	0	0	111.4	E179 D180 K186 E187	E179-A183 WeakPolarHBondContact O-CB 3.3Å; E179-A183 PolarHBondContact O-N 3.38Å; D180-A183 PolarHBondContact O-N 3.05Å; A183-K186 PolarHBondContact O-N 3.37Å; A183-E187 WeakPolarHBondContact O-CB 3.35Å; A183-E187 PolarHBondContact O-N 3.34Å
184	Y	96.4	Very high	96	Very high	158 Å²	158	96.8 Å²	96.8	62%	0.62	48%	0.483	S	S	*	.	H	α-helix	trans	-60.6	-46.8	175.1	175	-98.6	0	0	0	112.6	D180 Q181 H182 K186 E187 T188	D180-Y184 PolarHBondContact O-N 3.09Å; Q181-Y184 PolarHBondContact O-N 3.05Å; H182-Y184 PolarHBondContact O-N 2.91Å; Y184-K186 VanDerWaalsContact C-N 3.33Å; Y184-K186 PolarHBondContact O-N 2.78Å; Y184-E187 PolarHBondContact O-N 3.06Å; Y184-T188 WeakPolarHBondContact O-CB 3.35Å; Y184-T188 PolarHBondContact O-N 3.04Å; Y184-T188 PolarHBondContact O-OG1 3.26Å
185	I	96.6	Very high	96	Very high	90 Å²	90	92.2 Å²	92.2	46%	0.462	47%	0.474	S	S	.	.	H	α-helix	trans	-62.5	-44.8	178	-69.4	168.8	0	0	0	110.1	Q181 H182 T188 I189	Q181-I185 WeakPolarHBondContact O-CG1 3.32Å; Q181-I185 PolarHBondContact O-N 2.79Å; H182-I185 PolarHBondContact O-N 3.18Å; I185-T188 PolarHBondContact O-N 3.32Å; I185-I189 HydrophobicContact CG2-CD1 3.6Å; I185-I189 HydrophobicContact CG2-CG1 4.33Å; I185-I189 WeakPolarHBondContact O-CB 3.37Å; I185-I189 WeakPolarHBondContact O-CG1 3.24Å; I185-I189 PolarHBondContact O-N 2.77Å
186	K	96.2	Very high	96	Very high	116 Å²	116	92.9 Å²	92.9	50%	0.504	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-48.3	179.5	-174.4	176.5	-178.6	177	0	111.4	H182 A183 Y184 T188 I189 D190	H182-K186 WeakPolarHBondContact O-CB 3.41Å; H182-K186 PolarHBondContact O-N 3.1Å; A183-K186 PolarHBondContact O-N 3.37Å; Y184-K186 VanDerWaalsContact C-N 3.33Å; Y184-K186 PolarHBondContact O-N 2.78Å; K186-T188 VanDerWaalsContact C-N 3.3Å; K186-T188 PolarHBondContact O-N 3.43Å; K186-I189 PolarHBondContact O-N 2.8Å; K186-D190 VanDerWaalsContact CG-OD2 3.31Å; K186-D190 WeakPolarHBondContact CG-OD2 3.26Å; K186-D190 VanDerWaalsContact O-CB 3.25Å; K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 PolarHBondContact O-N 2.94Å
187	E	95.8	Very high	96.1	Very high	115 Å²	115	93.4 Å²	93.4	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-58.6	-44.3	175.3	-175.8	176.9	-172.9	0	0	111	A183 Y184 I189 T191 I192	A183-E187 WeakPolarHBondContact O-CB 3.35Å; A183-E187 PolarHBondContact O-N 3.34Å; Y184-E187 PolarHBondContact O-N 3.06Å; E187-I189 PolarHBondContact O-N 2.88Å; E187-T191 WeakPolarHBondContact O-CA 3.33Å; E187-T191 WeakPolarHBondContact O-CB 3.4Å; E187-T191 PolarHBondContact O-N 2.94Å; E187-T191 PolarHBondContact O-OG1 3.29Å; E187-I192 PolarHBondContact O-N 2.86Å
188	T	95.8	Very high	96.1	Very high	17 Å²	17	96.3 Å²	96.3	10%	0.104	48%	0.483	C	S	.	.	I	π-helix	trans	-62.2	-45.6	179.9	-58.1	0	0	0	0	112.3	Y184 I185 K186 I192 F193	Y184-T188 WeakPolarHBondContact O-CB 3.35Å; Y184-T188 PolarHBondContact O-N 3.04Å; Y184-T188 PolarHBondContact O-OG1 3.26Å; I185-T188 PolarHBondContact O-N 3.32Å; K186-T188 VanDerWaalsContact C-N 3.3Å; K186-T188 PolarHBondContact O-N 3.43Å; T188-I192 HydrophobicContact CG2-CB 4.46Å; T188-I192 WeakPolarHBondContact O-CB 3.35Å; T188-I192 PolarHBondContact O-N 3.07Å; T188-F193 HydrophobicContact CG2-CD1 4.07Å; T188-F193 HydrophobicContact CG2-CD2 4.4Å; T188-F193 HydrophobicContact CG2-CE1 3.63Å; T188-F193 HydrophobicContact CG2-CE2 3.99Å; T188-F193 HydrophobicContact CG2-CG 4.45Å; T188-F193 HydrophobicContact CG2-CZ 3.59Å; T188-F193 WeakPolarHBondContact O-CG 3.28Å; T188-F193 PolarHBondContact O-N 3.14Å
189	I	96.4	Very high	96.1	Very high	91 Å²	91	96.4 Å²	96.4	47%	0.467	48%	0.483	S	S	.	.	I	π-helix	trans	-75.8	-42.4	-177	-68.5	175.3	0	0	0	111.9	I185 K186 E187 F193 P194	I185-I189 HydrophobicContact CG2-CD1 3.6Å; I185-I189 HydrophobicContact CG2-CG1 4.33Å; I185-I189 WeakPolarHBondContact O-CB 3.37Å; I185-I189 WeakPolarHBondContact O-CG1 3.24Å; I185-I189 PolarHBondContact O-N 2.77Å; K186-I189 PolarHBondContact O-N 2.8Å; E187-I189 PolarHBondContact O-N 2.88Å; I189-F193 HydrophobicContact CG1-CD2 4.27Å; I189-F193 HydrophobicContact CG1-CE2 4.28Å; I189-P194 WeakPolarHBondContact O-CD 3.44Å; I189-P194 WeakPolarHBondContact O-CG 3.44Å
190	D	95.4	Very high	96.2	Very high	99 Å²	99	96.4 Å²	96.4	53%	0.529	49%	0.486	S	S	.	.	I	π-helix	trans	-83.2	-28.6	-173.1	-68.5	-15.8	0	0	0	111.9	K186	K186-D190 VanDerWaalsContact CG-OD2 3.31Å; K186-D190 WeakPolarHBondContact CG-OD2 3.26Å; K186-D190 VanDerWaalsContact O-CB 3.25Å; K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 PolarHBondContact O-N 2.94Å
191	T	94.6	Very high	96.3	Very high	75 Å²	75	96.1 Å²	96.1	46%	0.46	48%	0.481	S	S	.	.	I	π-helix	trans	-117.8	-54.8	-172.9	77.5	0	0	0	0	113	E187 S195	E187-T191 WeakPolarHBondContact O-CA 3.33Å; E187-T191 WeakPolarHBondContact O-CB 3.4Å; E187-T191 PolarHBondContact O-N 2.94Å; E187-T191 PolarHBondContact O-OG1 3.29Å; T191-S195 WeakPolarHBondContact O-CB 3.4Å; T191-S195 PolarHBondContact O-N 3.49Å; T191-S195 VanDerWaalsContact O-N 3.16Å
192	I	95.6	Very high	96.4	Very high	66 Å²	66	91.3 Å²	91.3	34%	0.338	47%	0.467	S	S	.	.	I	π-helix	trans	-70.7	-51	-169.8	-57.1	-179.5	0	0	0	110.7	E187 T188 S195 N196	E187-I192 PolarHBondContact O-N 2.86Å; T188-I192 HydrophobicContact CG2-CB 4.46Å; T188-I192 WeakPolarHBondContact O-CB 3.35Å; T188-I192 PolarHBondContact O-N 3.07Å; I192-S195 PolarHBondContact O-N 3.19Å; I192-N196 WeakPolarHBondContact O-CB 3.42Å; I192-N196 PolarHBondContact O-N 2.98Å
193	F	96.6	Very high	96.5	Very high	111 Å²	111	89.3 Å²	89.3	49%	0.487	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-49.7	-178.9	-68.9	-18.2	0	0	0	112.9	T188 I189 S195 N196 I197	T188-F193 HydrophobicContact CG2-CD1 4.07Å; T188-F193 HydrophobicContact CG2-CD2 4.4Å; T188-F193 HydrophobicContact CG2-CE1 3.63Å; T188-F193 HydrophobicContact CG2-CE2 3.99Å; T188-F193 HydrophobicContact CG2-CG 4.45Å; T188-F193 HydrophobicContact CG2-CZ 3.59Å; T188-F193 WeakPolarHBondContact O-CG 3.28Å; T188-F193 PolarHBondContact O-N 3.14Å; I189-F193 HydrophobicContact CG1-CD2 4.27Å; I189-F193 HydrophobicContact CG1-CE2 4.28Å; F193-S195 VanDerWaalsContact C-N 3.29Å; F193-S195 PolarHBondContact O-N 3.03Å; F193-N196 PolarHBondContact O-N 2.95Å; F193-I197 WeakPolarHBondContact O-CB 3.33Å; F193-I197 WeakPolarHBondContact O-CD1 3.3Å; F193-I197 WeakPolarHBondContact O-CG1 3.44Å; F193-I197 PolarHBondContact O-N 3.4Å
194	P	97.1	Very high	96.6	Very high	52 Å²	52	92.2 Å²	92.2	34%	0.338	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-36.2	178.9	-25.5	37.4	0	0	0	112.5	I189 R198	I189-P194 WeakPolarHBondContact O-CD 3.44Å; I189-P194 WeakPolarHBondContact O-CG 3.44Å; P194-R198 VanDerWaalsContact O-CB 3.31Å; P194-R198 WeakPolarHBondContact O-CB 3.3Å; P194-R198 PolarHBondContact O-N 3.21Å
195	S	95.7	Very high	96.6	Very high	56 Å²	56	88.9 Å²	88.9	39%	0.392	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-50.8	175.2	-173.6	0	0	0	0	111.7	T191 I192 F193 I197 R198 V199	T191-S195 WeakPolarHBondContact O-CB 3.4Å; T191-S195 PolarHBondContact O-N 3.49Å; T191-S195 VanDerWaalsContact O-N 3.16Å; I192-S195 PolarHBondContact O-N 3.19Å; F193-S195 VanDerWaalsContact C-N 3.29Å; F193-S195 PolarHBondContact O-N 3.03Å; S195-I197 PolarHBondContact O-N 3.35Å; S195-R198 WeakPolarHBondContact O-CB 3.3Å; S195-R198 PolarHBondContact O-N 3.23Å; S195-V199 WeakPolarHBondContact O-CG2 3.36Å; S195-V199 PolarHBondContact O-N 3.07Å
196	N	96.6	Very high	96.7	Very high	85 Å²	85	91.3 Å²	91.3	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-62.8	-43.4	178.7	-74.3	-15.9	0	0	0	112	I192 F193 R198 V199 L200	I192-N196 WeakPolarHBondContact O-CB 3.42Å; I192-N196 PolarHBondContact O-N 2.98Å; F193-N196 PolarHBondContact O-N 2.95Å; N196-R198 VanDerWaalsContact C-N 3.32Å; N196-R198 PolarHBondContact O-N 3.46Å; N196-V199 PolarHBondContact O-N 3.16Å; N196-L200 WeakPolarHBondContact O-CB 3.34Å; N196-L200 WeakPolarHBondContact O-CG 3.2Å; N196-L200 PolarHBondContact O-N 2.96Å
197	I	97.3	Very high	96.8	Very high	89 Å²	89	89.9 Å²	89.9	46%	0.456	47%	0.468	S	S	.	.	H	α-helix	trans	-59.4	-44.6	176.2	-70.2	166.4	0	0	0	110.1	F193 S195 V199 L200 Q201	F193-I197 WeakPolarHBondContact O-CB 3.33Å; F193-I197 WeakPolarHBondContact O-CD1 3.3Å; F193-I197 WeakPolarHBondContact O-CG1 3.44Å; F193-I197 PolarHBondContact O-N 3.4Å; S195-I197 PolarHBondContact O-N 3.35Å; I197-V199 PolarHBondContact O-N 3.17Å; I197-L200 PolarHBondContact O-N 3.11Å; I197-Q201 HydrophobicContact CG2-CG 4.17Å; I197-Q201 WeakPolarHBondContact O-CB 3.16Å; I197-Q201 VanDerWaalsContact O-CG 3.27Å; I197-Q201 WeakPolarHBondContact O-CG 3.33Å; I197-Q201 PolarHBondContact O-N 3.28Å
198	R	96.7	Very high	96.9	Very high	173 Å²	173	92.1 Å²	92.1	65%	0.653	47%	0.471	S	S	*	.	H	α-helix	trans	-60.5	-43.1	177.4	-173	-173.4	-61	147.2	2.2	112	P194 S195 N196 G202	P194-R198 VanDerWaalsContact O-CB 3.31Å; P194-R198 WeakPolarHBondContact O-CB 3.3Å; P194-R198 PolarHBondContact O-N 3.21Å; S195-R198 WeakPolarHBondContact O-CB 3.3Å; S195-R198 PolarHBondContact O-N 3.23Å; N196-R198 VanDerWaalsContact C-N 3.32Å; N196-R198 PolarHBondContact O-N 3.46Å; R198-G202 PolarHBondContact O-N 2.97Å
199	V	97.4	Very high	97	Very high	91 Å²	91	97.5 Å²	97.5	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-63.4	-47.1	176.7	174.1	0	0	0	0	110.7	S195 N196 I197 G202 V203	S195-V199 WeakPolarHBondContact O-CG2 3.36Å; S195-V199 PolarHBondContact O-N 3.07Å; N196-V199 PolarHBondContact O-N 3.16Å; I197-V199 PolarHBondContact O-N 3.17Å; V199-G202 PolarHBondContact O-N 2.83Å; V199-V203 WeakPolarHBondContact O-CG2 3.47Å; V199-V203 PolarHBondContact O-N 2.8Å
200	L	97.5	Very high	97.1	Very high	122 Å²	122	100.2 Å²	100.2	64%	0.639	50%	0.504	S	S	*	.	H	α-helix	trans	-64.6	-41.8	179.9	-70.5	175.2	0	0	0	112.4	N196 I197 G202 V203 L204	N196-L200 WeakPolarHBondContact O-CB 3.34Å; N196-L200 WeakPolarHBondContact O-CG 3.2Å; N196-L200 PolarHBondContact O-N 2.96Å; I197-L200 PolarHBondContact O-N 3.11Å; L200-G202 VanDerWaalsContact C-N 3.32Å; L200-G202 PolarHBondContact O-N 2.9Å; L200-V203 PolarHBondContact O-N 3.42Å; L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 PolarHBondContact O-N 3.47Å
201	Q	97.1	Very high	97.2	Very high	111 Å²	111	99.5 Å²	99.5	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-58.3	-45.4	172.7	-76.3	174.5	-21.5	0	0	110.9	I197 V203 L204 D205	I197-Q201 HydrophobicContact CG2-CG 4.17Å; I197-Q201 WeakPolarHBondContact O-CB 3.16Å; I197-Q201 VanDerWaalsContact O-CG 3.27Å; I197-Q201 WeakPolarHBondContact O-CG 3.33Å; I197-Q201 PolarHBondContact O-N 3.28Å; Q201-V203 VanDerWaalsContact C-N 3.31Å; Q201-V203 PolarHBondContact O-N 2.76Å; Q201-L204 PolarHBondContact O-N 2.93Å; Q201-D205 WeakPolarHBondContact O-CB 3.1Å; Q201-D205 PolarHBondContact O-N 3.34Å
202	G	97.6	Very high	97.4	Very high	32 Å²	32	100.7 Å²	100.7	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-34.7	176.4	0	0	0	0	0	113.9	R198 V199 L200 K206	R198-G202 PolarHBondContact O-N 2.97Å; V199-G202 PolarHBondContact O-N 2.83Å; L200-G202 VanDerWaalsContact C-N 3.32Å; L200-G202 PolarHBondContact O-N 2.9Å; G202-K206 VanDerWaalsContact O-CG 3.31Å; G202-K206 WeakPolarHBondContact O-CG 3.05Å; G202-K206 PolarHBondContact O-N 2.97Å
203	V	97.9	Very high	97.5	Very high	74 Å²	74	105.3 Å²	105.3	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-69.5	-46.4	173.3	173.1	0	0	0	0	110.7	V199 L200 Q201 D205 K206 I207	V199-V203 WeakPolarHBondContact O-CG2 3.47Å; V199-V203 PolarHBondContact O-N 2.8Å; L200-V203 PolarHBondContact O-N 3.42Å; Q201-V203 VanDerWaalsContact C-N 3.31Å; Q201-V203 PolarHBondContact O-N 2.76Å; V203-D205 PolarHBondContact O-N 2.86Å; V203-K206 PolarHBondContact O-N 3.04Å; V203-I207 HydrophobicContact CG1-CD1 3.83Å; V203-I207 HydrophobicContact CG1-CG1 4.44Å; V203-I207 WeakPolarHBondContact O-CG1 3.12Å; V203-I207 PolarHBondContact O-N 2.79Å
204	L	97.9	Very high	97.6	Very high	114 Å²	114	105.3 Å²	105.3	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-43.7	-179.6	-174.8	65	0	0	0	111.8	L200 Q201 K206 I207 R208	L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 PolarHBondContact O-N 3.47Å; Q201-L204 PolarHBondContact O-N 2.93Å; L204-K206 PolarHBondContact O-N 3.44Å; L204-I207 PolarHBondContact O-N 2.92Å; L204-R208 WeakPolarHBondContact O-CB 3.13Å; L204-R208 PolarHBondContact O-N 3.1Å
205	D	97.7	Very high	97.6	Very high	88 Å²	88	107.8 Å²	107.8	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-63.1	-41.5	177.6	-74.2	-24.6	0	0	0	111.7	Q201 V203 R208 Q209	Q201-D205 WeakPolarHBondContact O-CB 3.1Å; Q201-D205 PolarHBondContact O-N 3.34Å; V203-D205 PolarHBondContact O-N 2.86Å; D205-R208 PolarHBondContact O-N 3.2Å; D205-Q209 WeakPolarHBondContact O-CG 3.37Å; D205-Q209 PolarHBondContact O-N 3.22Å
206	K	97.8	Very high	97.7	Very high	141 Å²	141	112.8 Å²	112.8	61%	0.613	54%	0.543	S	S	*	.	H	α-helix	trans	-63.8	-40.2	174.7	-76.1	176.5	-179.1	178.5	0	112.2	G202 V203 L204 K210	G202-K206 VanDerWaalsContact O-CG 3.31Å; G202-K206 WeakPolarHBondContact O-CG 3.05Å; G202-K206 PolarHBondContact O-N 2.97Å; V203-K206 PolarHBondContact O-N 3.04Å; L204-K206 PolarHBondContact O-N 3.44Å; K206-K210 WeakPolarHBondContact O-CG 3.3Å; K206-K210 PolarHBondContact O-N 2.94Å; K206-K210 VanDerWaalsContact O-N 3.09Å
207	I	97.9	Very high	97.8	Very high	85 Å²	85	111.5 Å²	111.5	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-63.7	-47.5	176	-70.4	170.2	0	0	0	109.8	V203 L204 Q209 K210 I211	V203-I207 HydrophobicContact CG1-CD1 3.83Å; V203-I207 HydrophobicContact CG1-CG1 4.44Å; V203-I207 WeakPolarHBondContact O-CG1 3.12Å; V203-I207 PolarHBondContact O-N 2.79Å; L204-I207 PolarHBondContact O-N 2.92Å; I207-Q209 PolarHBondContact O-N 3.27Å; I207-K210 PolarHBondContact O-N 3.38Å; I207-K210 VanDerWaalsContact O-N 3.12Å; I207-I211 HydrophobicContact CG2-CD1 3.74Å; I207-I211 HydrophobicContact CG2-CG1 4.33Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.04Å
208	R	97.9	Very high	97.8	Very high	162 Å²	162	112 Å²	112	61%	0.611	55%	0.547	S	S	*	.	H	α-helix	trans	-57.7	-45.7	178	-174.4	177.8	179.7	167.6	2.5	112.2	L204 D205 K210 I211 Q212	L204-R208 WeakPolarHBondContact O-CB 3.13Å; L204-R208 PolarHBondContact O-N 3.1Å; D205-R208 PolarHBondContact O-N 3.2Å; R208-K210 VanDerWaalsContact C-N 3.34Å; R208-K210 PolarHBondContact O-N 2.91Å; R208-I211 PolarHBondContact O-N 3.48Å; R208-Q212 WeakPolarHBondContact O-CG 3.42Å; R208-Q212 PolarHBondContact O-N 3.31Å
209	Q	98.1	Very high	97.8	Very high	130 Å²	130	109.5 Å²	109.5	61%	0.607	55%	0.546	S	S	*	.	H	α-helix	trans	-61.7	-40.1	176.3	-73.6	176.7	1.2	0	0	112.4	D205 I207 K213	D205-Q209 WeakPolarHBondContact O-CG 3.37Å; D205-Q209 PolarHBondContact O-N 3.22Å; I207-Q209 PolarHBondContact O-N 3.27Å; Q209-K213 WeakPolarHBondContact O-CB 3.47Å; Q209-K213 PolarHBondContact O-N 2.95Å
210	K	97.9	Very high	97.8	Very high	149 Å²	149	108 Å²	108	65%	0.648	54%	0.539	S	S	*	.	H	α-helix	trans	-66.5	-42.7	176.6	-75.8	-176.6	176.6	-170.4	0	112.1	K206 I207 R208 K213 L214	K206-K210 WeakPolarHBondContact O-CG 3.3Å; K206-K210 PolarHBondContact O-N 2.94Å; K206-K210 VanDerWaalsContact O-N 3.09Å; I207-K210 PolarHBondContact O-N 3.38Å; I207-K210 VanDerWaalsContact O-N 3.12Å; R208-K210 VanDerWaalsContact C-N 3.34Å; R208-K210 PolarHBondContact O-N 2.91Å; K210-K213 PolarHBondContact O-N 3.14Å; K210-L214 WeakPolarHBondContact O-CG 3.48Å; K210-L214 PolarHBondContact O-N 2.82Å
211	I	98.3	Very high	97.8	Very high	83 Å²	83	107.1 Å²	107.1	43%	0.426	53%	0.532	S	S	.	.	H	α-helix	trans	-59.4	-49.4	176.1	-68.8	170.4	0	0	0	110	I207 R208 K213 L214 E215	I207-I211 HydrophobicContact CG2-CD1 3.74Å; I207-I211 HydrophobicContact CG2-CG1 4.33Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.04Å; R208-I211 PolarHBondContact O-N 3.48Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 2.9Å; I211-L214 WeakPolarHBondContact O-CB 3.35Å; I211-L214 PolarHBondContact O-N 3.34Å; I211-E215 HydrophobicContact CG2-CG 4.28Å; I211-E215 WeakPolarHBondContact O-CG 3.48Å; I211-E215 PolarHBondContact O-N 3.23Å
212	Q	98.1	Very high	97.8	Very high	100 Å²	100	106.5 Å²	106.5	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-59.2	-38.5	177.3	-72.5	177.4	-24.6	0	0	112.9	R208 K216	R208-Q212 WeakPolarHBondContact O-CG 3.42Å; R208-Q212 PolarHBondContact O-N 3.31Å; Q212-K216 WeakPolarHBondContact O-CB 3.16Å; Q212-K216 PolarHBondContact O-N 3.27Å
213	K	98.2	Very high	97.7	Very high	163 Å²	163	110.3 Å²	110.3	71%	0.709	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-40.8	175.4	-173.6	178.3	179	-179.3	0	111.7	Q209 K210 I211 A217	Q209-K213 WeakPolarHBondContact O-CB 3.47Å; Q209-K213 PolarHBondContact O-N 2.95Å; K210-K213 PolarHBondContact O-N 3.14Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 2.9Å; K213-A217 WeakPolarHBondContact O-CB 3.46Å; K213-A217 PolarHBondContact O-N 2.97Å
214	L	98.1	Very high	97.6	Very high	111 Å²	111	112.9 Å²	112.9	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-66.9	-46.5	177	-71.4	171	0	0	0	111.4	K210 I211 K216 A217 I218	K210-L214 WeakPolarHBondContact O-CG 3.48Å; K210-L214 PolarHBondContact O-N 2.82Å; I211-L214 WeakPolarHBondContact O-CB 3.35Å; I211-L214 PolarHBondContact O-N 3.34Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 2.59Å; L214-A217 WeakPolarHBondContact O-CB 3.39Å; L214-A217 PolarHBondContact O-N 3.26Å; L214-A217 VanDerWaalsContact O-N 3.09Å; L214-I218 WeakPolarHBondContact O-CG1 3.12Å; L214-I218 PolarHBondContact O-N 3.31Å
215	E	98.1	Very high	97.6	Very high	105 Å²	105	111.4 Å²	111.4	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-55.1	-47.3	175.4	-72.6	172.5	165.7	0	0	111.2	I211 A217 I218 L219	I211-E215 HydrophobicContact CG2-CG 4.28Å; I211-E215 WeakPolarHBondContact O-CG 3.48Å; I211-E215 PolarHBondContact O-N 3.23Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 2.98Å; E215-I218 PolarHBondContact O-N 3.03Å; E215-L219 WeakPolarHBondContact O-CG 3.41Å; E215-L219 PolarHBondContact O-N 2.7Å
216	K	98.1	Very high	97.5	Very high	161 Å²	161	113.6 Å²	113.6	70%	0.7	55%	0.552	S	S	*	*	H	α-helix	trans	-61.7	-40.5	176.4	-174.7	176.3	179.4	178.1	0	112.5	Q212 L214 S220	Q212-K216 WeakPolarHBondContact O-CB 3.16Å; Q212-K216 PolarHBondContact O-N 3.27Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 2.59Å; K216-S220 WeakPolarHBondContact O-CB 3.34Å; K216-S220 PolarHBondContact O-N 2.6Å
217	A	97.8	Very high	97.3	Very high	57 Å²	57	113.4 Å²	113.4	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-65.8	-43	178	0	0	0	0	0	111.7	K213 L214 E215 S220 Q221	K213-A217 WeakPolarHBondContact O-CB 3.46Å; K213-A217 PolarHBondContact O-N 2.97Å; L214-A217 WeakPolarHBondContact O-CB 3.39Å; L214-A217 PolarHBondContact O-N 3.26Å; L214-A217 VanDerWaalsContact O-N 3.09Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 2.98Å; A217-S220 PolarHBondContact O-N 2.6Å; A217-Q221 WeakPolarHBondContact O-CB 3.05Å; A217-Q221 PolarHBondContact O-N 3.33Å
218	I	97.7	Very high	97.2	Very high	101 Å²	101	114.1 Å²	114.1	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-62.4	-47	176.7	-67.1	165.8	0	0	0	110.5	L214 E215 S220 Q221 N222	L214-I218 WeakPolarHBondContact O-CG1 3.12Å; L214-I218 PolarHBondContact O-N 3.31Å; E215-I218 PolarHBondContact O-N 3.03Å; I218-S220 VanDerWaalsContact C-N 3.33Å; I218-S220 PolarHBondContact O-N 2.88Å; I218-Q221 PolarHBondContact O-N 2.74Å; I218-N222 WeakPolarHBondContact O-CB 3.01Å; I218-N222 PolarHBondContact O-N 2.89Å
219	L	97.6	Very high	96.9	Very high	120 Å²	120	111.7 Å²	111.7	63%	0.628	58%	0.575	S	S	*	*	H	α-helix	trans	-60.8	-42.5	177.1	-71	172.9	0	0	0	111.9	E215 Q221 N222 E223	E215-L219 WeakPolarHBondContact O-CG 3.41Å; E215-L219 PolarHBondContact O-N 2.7Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 3.28Å; L219-N222 PolarHBondContact O-N 2.76Å; L219-E223 PolarHBondContact O-N 2.94Å; L219-E223 VanDerWaalsContact O-N 3.09Å
220	S	97.4	Very high	96.4	Very high	60 Å²	60	112.2 Å²	112.2	42%	0.42	58%	0.58	S	S	.	*	H	α-helix	trans	-63	-39.8	175.6	-174.6	0	0	0	0	112.3	K216 A217 I218 E223 Q224	K216-S220 WeakPolarHBondContact O-CB 3.34Å; K216-S220 PolarHBondContact O-N 2.6Å; A217-S220 PolarHBondContact O-N 2.6Å; I218-S220 VanDerWaalsContact C-N 3.33Å; I218-S220 PolarHBondContact O-N 2.88Å; S220-E223 PolarHBondContact O-N 3.02Å; S220-Q224 WeakPolarHBondContact O-CG 3.38Å; S220-Q224 PolarHBondContact O-N 2.89Å
221	Q	96.6	Very high	96	Very high	102 Å²	102	108 Å²	108	48%	0.477	57%	0.566	S	S	.	*	H	α-helix	trans	-67.4	-43.5	177.6	-173.2	61.9	50.9	0	0	111.1	A217 I218 L219 E223 Q224 C225	A217-Q221 WeakPolarHBondContact O-CB 3.05Å; A217-Q221 PolarHBondContact O-N 3.33Å; I218-Q221 PolarHBondContact O-N 2.74Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 3.28Å; Q221-E223 VanDerWaalsContact C-N 3.26Å; Q221-E223 PolarHBondContact O-N 3.49Å; Q221-Q224 PolarHBondContact O-N 2.89Å; Q221-Q224 VanDerWaalsContact O-N 3.14Å; Q221-C225 PolarHBondContact NE2-SG 3.18Å; Q221-C225 WeakPolarHBondContact O-CB 3.4Å; Q221-C225 PolarHBondContact O-N 2.97Å; Q221-C225 PolarHBondContact O-SG 3.23Å
222	N	97	Very high	95.4	Very high	99 Å²	99	112.3 Å²	112.3	53%	0.529	58%	0.582	S	S	.	*	H	α-helix	trans	-59.7	-37.8	177.2	-75.1	-11.2	0	0	0	112	I218 L219 C225	I218-N222 WeakPolarHBondContact O-CB 3.01Å; I218-N222 PolarHBondContact O-N 2.89Å; L219-N222 PolarHBondContact O-N 2.76Å; N222-C225 PolarHBondContact O-N 3.03Å
223	E	96.7	Very high	95	Very high	112 Å²	112	108.7 Å²	108.7	52%	0.523	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-43.2	175.5	-166.4	62.8	-156.9	0	0	111.7	L219 S220 Q221 C225 K226	L219-E223 PolarHBondContact O-N 2.94Å; L219-E223 VanDerWaalsContact O-N 3.09Å; S220-E223 PolarHBondContact O-N 3.02Å; Q221-E223 VanDerWaalsContact C-N 3.26Å; Q221-E223 PolarHBondContact O-N 3.49Å; E223-C225 VanDerWaalsContact C-N 3.3Å; E223-C225 PolarHBondContact O-N 3.04Å; E223-K226 WeakPolarHBondContact O-CB 3.17Å; E223-K226 WeakPolarHBondContact O-CG 3.37Å; E223-K226 PolarHBondContact O-N 2.89Å; E223-K226 WeakPolarHBondContact OE1-CE 3.34Å; E223-K226 IonicContact OE1-NZ 3.28Å; E223-K226 PolarHBondContact OE1-NZ 2.92Å; E223-K226 WeakPolarHBondContact OE2-CE 3.39Å; E223-K226 IonicContact OE2-NZ 2.72Å; E223-K226 PolarHBondContact OE2-NZ 3.34Å
224	Q	95.3	Very high	94.6	Very high	128 Å²	128	104.1 Å²	104.1	60%	0.598	56%	0.555	S	S	*	*	H	α-helix	trans	-68.1	-28.6	177.4	-69.1	174.9	23.8	0	0	112.9	S220 Q221 K226	S220-Q224 WeakPolarHBondContact O-CG 3.38Å; S220-Q224 PolarHBondContact O-N 2.89Å; Q221-Q224 PolarHBondContact O-N 2.89Å; Q221-Q224 VanDerWaalsContact O-N 3.14Å; Q224-K226 VanDerWaalsContact C-N 3.26Å; Q224-K226 PolarHBondContact O-N 2.89Å
225	C	96.4	Very high	94.3	Very high	82 Å²	82	102.8 Å²	102.8	55%	0.554	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.3	178.8	-72.5	0	0	0	0	114.3	Q221 N222 E223 D227	Q221-C225 PolarHBondContact NE2-SG 3.18Å; Q221-C225 WeakPolarHBondContact O-CB 3.4Å; Q221-C225 PolarHBondContact O-N 2.97Å; Q221-C225 PolarHBondContact O-SG 3.23Å; N222-C225 PolarHBondContact O-N 3.03Å; E223-C225 VanDerWaalsContact C-N 3.3Å; E223-C225 PolarHBondContact O-N 3.04Å; C225-D227 VanDerWaalsContact C-N 3.29Å
226	K	96.3	Very high	94	Very high	135 Å²	135	98.5 Å²	98.5	59%	0.587	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.5	173.2	-71.5	-178.3	-179.6	172	0	112	E223 Q224	E223-K226 WeakPolarHBondContact O-CB 3.17Å; E223-K226 WeakPolarHBondContact O-CG 3.37Å; E223-K226 PolarHBondContact O-N 2.89Å; E223-K226 WeakPolarHBondContact OE1-CE 3.34Å; E223-K226 IonicContact OE1-NZ 3.28Å; E223-K226 PolarHBondContact OE1-NZ 2.92Å; E223-K226 WeakPolarHBondContact OE2-CE 3.39Å; E223-K226 IonicContact OE2-NZ 2.72Å; E223-K226 PolarHBondContact OE2-NZ 3.34Å; Q224-K226 VanDerWaalsContact C-N 3.26Å; Q224-K226 PolarHBondContact O-N 2.89Å
227	D	94.8	Very high	93.8	Very high	137 Å²	137	98.1 Å²	98.1	73%	0.733	54%	0.54	S	S	*	.	S	Bend	trans	-101.4	123.5	176.5	-66.4	-45	0	0	0	109.9	C225	C225-D227 VanDerWaalsContact C-N 3.29Å
228	P	94.3	Very high	93.7	Very high	100 Å²	100	97.3 Å²	97.3	65%	0.649	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-72	150.4	-180	30.1	-34.6	0	0	0	111.1
229	C	91.7	Very high	93.6	Very high	111 Å²	111	94.4 Å²	94.4	75%	0.75	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-68.8	134.3	168.9	57.4	0	0	0	0	110.3
230	I	89.3	Confident	93.6	Very high	141 Å²	141	89 Å²	89	72%	0.723	49%	0.49	S	S	*	.			trans	-121.8	127.7	-178.2	-58.3	172.5	0	0	0	108.6
231	T	87.6	Confident	93.5	Very high	59 Å²	59	91.7 Å²	91.7	36%	0.362	50%	0.495	S	S	.	.			trans	-114.4	134.3	170.6	-170.7	0	0	0	0	110	C233	T231-C233 PolarHBondContact OG1-SG 3.48Å
232	K	87.7	Confident	93.6	Very high	175 Å²	175	87.5 Å²	87.5	76%	0.761	48%	0.475	S	S	*	.			trans	-105.1	104.1	174.1	-70	-176.8	-179.3	178	0	108.1	P234	K232-P234 VanDerWaalsContact O-CD 3.32Å; K232-P234 WeakPolarHBondContact O-CD 3.41Å
233	C	88.8	Confident	93.6	Very high	24 Å²	24	82.8 Å²	82.8	16%	0.162	45%	0.45	C	S	.	.			trans	-112.5	94.3	178.8	-58.3	0	0	0	0	110.6	T231 I235 M256 C317	T231-C233 PolarHBondContact OG1-SG 3.48Å; C233-I235 PolarHBondContact O-N 3.35Å; C233-M256 HydrophobicContact CB-CE 3.49Å; C233-M256 VanDerWaalsContact CB-CE 3.49Å; C233-M256 HydrophobicContact CB-SD 3.69Å; C233-C317 WeakPolarHBondContact CA-SG 3.34Å; C233-C317 HydrophobicContact CB-CB 3.78Å; C233-C317 WeakPolarHBondContact CB-SG 3.47Å; C233-C317 WeakPolarHBondContact SG-CB 3.24Å; C233-C317 CovalentContact SG-SG 2.02Å; C233-C317 PolarHBondContact SG-SG 3.33Å
234	P	89.9	Confident	93.7	Very high	66 Å²	66	78.5 Å²	78.5	43%	0.429	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-54.7	134.1	166.3	-28.1	39.4	0	0	0	110.4	K232 P236 R315 F316	K232-P234 VanDerWaalsContact O-CD 3.32Å; K232-P234 WeakPolarHBondContact O-CD 3.41Å; P234-P236 WeakPolarHBondContact O-CD 3.5Å; P234-R315 WeakPolarHBondContact CD-O 3.36Å; P234-R315 WeakPolarHBondContact CG-O 3.48Å; P234-F316 HydrophobicContact CB-CD1 4.5Å
235	I	90.7	Very high	93.8	Very high	83 Å²	83	74 Å²	74	43%	0.426	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-84.5	123.9	-178	-60.3	172.2	0	0	0	108	C233 M256 L258	C233-I235 PolarHBondContact O-N 3.35Å; I235-M256 HydrophobicContact CG1-CE 4.06Å; I235-L258 HydrophobicContact CG2-CB 3.68Å; I235-L258 HydrophobicContact CG2-CD2 4.36Å
236	P	92.8	Very high	93.8	Very high	16 Å²	16	70 Å²	70	10%	0.104	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-57.8	145.8	172.2	-24.8	35.2	0	0	0	112	P234 V238 Q255 M256 Y257	P234-P236 WeakPolarHBondContact O-CD 3.5Å; P236-V238 VanDerWaalsContact C-N 3.31Å; P236-V238 HydrophobicContact CB-CG1 4.36Å; P236-V238 PolarHBondContact O-N 2.86Å; P236-Q255 HydrophobicContact CG-CG 4.38Å; P236-M256 VanDerWaalsContact CD-O 3.28Å; P236-M256 WeakPolarHBondContact CD-O 3.25Å; P236-M256 WeakPolarHBondContact CG-O 3.35Å; P236-Y257 HydrophobicContact CB-CD1 3.82Å; P236-Y257 HydrophobicContact CB-CE1 3.76Å; P236-Y257 HydrophobicContact CG-CD1 3.86Å; P236-Y257 HydrophobicContact CG-CE1 3.88Å; P236-Y257 HydrophobicContact CG-CG 4.5Å
237	V	93	Very high	93.9	Very high	153 Å²	153	65.1 Å²	65.1	93%	0.927	36%	0.362	S	S	*	.	S	Bend	trans	-67	-34	-179.3	-179.9	0	0	0	0	111.8	S239	V237-S239 PolarHBondContact O-N 2.99Å
238	V	95.8	Very high	93.9	Very high	40 Å²	40	65.6 Å²	65.6	24%	0.242	35%	0.353	C	S	.	.			trans	-69.9	128.4	177.6	64	0	0	0	0	110.3	P236 I246 R249 Y257	P236-V238 VanDerWaalsContact C-N 3.31Å; P236-V238 HydrophobicContact CB-CG1 4.36Å; P236-V238 PolarHBondContact O-N 2.86Å; V238-I246 HydrophobicContact CG1-CG2 4.15Å; V238-I246 HydrophobicContact CG2-CG2 4.2Å; V238-R249 HydrophobicContact CG2-CB 3.77Å; V238-Y257 HydrophobicContact CG1-CD1 4.01Å; V238-Y257 HydrophobicContact CG1-CE1 3.53Å
239	S	96.8	Very high	94.1	Very high	40 Å²	40	67.8 Å²	67.8	28%	0.28	35%	0.349	S	S	.	.			trans	-142	161.2	179.8	-178.9	0	0	0	0	108.9	V237 R249 L258	V237-S239 PolarHBondContact O-N 2.99Å; S239-R249 WeakPolarHBondContact O-CD 3.34Å; S239-R249 PolarHBondContact O-NH1 3.23Å; S239-L258 WeakPolarHBondContact CB-O 2.99Å; S239-L258 PolarHBondContact OG-O 3.24Å
240	G	96.5	Very high	94.3	Very high	6 Å²	6	64.8 Å²	64.8	6%	0.062	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-166.6	-177.2	-175.6	0	0	0	0	0	111	E242 D245 I259 Q260	G240-E242 VanDerWaalsContact C-N 3.31Å; G240-D245 VanDerWaalsContact CA-OD2 3.23Å; G240-D245 WeakPolarHBondContact CA-OD2 3.45Å; G240-I259 WeakPolarHBondContact O-CA 3.31Å; G240-Q260 PolarHBondContact O-N 3.24Å
241	K	96.5	Very high	94.6	Very high	117 Å²	117	58.2 Å²	58.2	51%	0.509	30%	0.304	S	S	.	.	S	Bend	trans	-64	-41	177.7	-61.5	-177.5	-179	-178	0	111.8	D245 Q260 P261 M336	K241-D245 PolarHBondContact N-OD2 2.95Å; K241-Q260 WeakPolarHBondContact CA-O 3.24Å; K241-P261 WeakPolarHBondContact O-CA 3.19Å; K241-P261 WeakPolarHBondContact O-CG 3.38Å; K241-M336 HydrophobicContact CB-CE 3.87Å; K241-M336 HydrophobicContact CD-CE 4.12Å
242	E	97.1	Very high	94.9	Very high	13 Å²	13	62.2 Å²	62.2	6%	0.061	31%	0.312	C	S	.	.	S	Bend	trans	-155.5	-175.3	177.9	50.6	65.9	-129.7	0	0	109.8	G240 E244 D245 I246 V282 L333 M336 P487	G240-E242 VanDerWaalsContact C-N 3.31Å; E242-E244 PolarHBondContact O-N 2.02Å; E242-E244 WeakPolarHBondContact OE1-CB 3.48Å; E242-E244 WeakPolarHBondContact OE2-CA 3.06Å; E242-E244 VanDerWaalsContact OE2-CB 3.22Å; E242-E244 WeakPolarHBondContact OE2-CB 2.97Å; E242-E244 PolarHBondContact OE2-N 3.43Å; E242-D245 PolarHBondContact O-N 3.33Å; E242-D245 PolarHBondContact OE1-N 3.32Å; E242-I246 WeakPolarHBondContact O-CG1 3.46Å; E242-I246 PolarHBondContact O-N 2.87Å; E242-I246 VanDerWaalsContact O-N 3.08Å; E242-V282 HydrophobicContact CB-CG2 3.96Å; E242-L333 HydrophobicContact CB-CD2 4.07Å; E242-M336 HydrophobicContact CG-CE 4.3Å; E242-P487 HydrophobicContact CG-CG 4.25Å
243	C	98.1	Very high	95.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-30.6	-170.2	-69	0	0	0	0	114.4	I246 F247 C272 Q274 V282	C243-I246 PolarHBondContact O-N 3.02Å; C243-F247 WeakPolarHBondContact O-CB 3.3Å; C243-F247 PolarHBondContact O-N 3.43Å; C243-C272 HydrophobicContact CB-CB 3.64Å; C243-C272 WeakPolarHBondContact CB-SG 3.39Å; C243-C272 WeakPolarHBondContact SG-CA 3.47Å; C243-C272 WeakPolarHBondContact SG-CB 3.29Å; C243-C272 CovalentContact SG-SG 2.03Å; C243-C272 PolarHBondContact SG-SG 3.4Å; C243-Q274 PolarHBondContact O-NE2 2.75Å; C243-V282 HydrophobicContact CB-CG2 3.71Å; C243-V282 VanDerWaalsContact SG-CG2 3.55Å
244	E	97.6	Very high	95.7	Very high	23 Å²	23	59.4 Å²	59.4	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-42.4	173.4	169.2	66.2	-170.2	0	0	111.3	E242 I246 F247 R248 G280 R486 P487	E242-E244 PolarHBondContact O-N 2.02Å; E242-E244 WeakPolarHBondContact OE1-CB 3.48Å; E242-E244 WeakPolarHBondContact OE2-CA 3.06Å; E242-E244 VanDerWaalsContact OE2-CB 3.22Å; E242-E244 WeakPolarHBondContact OE2-CB 2.97Å; E242-E244 PolarHBondContact OE2-N 3.43Å; E244-I246 VanDerWaalsContact C-N 3.33Å; E244-I246 PolarHBondContact O-N 3.16Å; E244-F247 WeakPolarHBondContact O-CB 3.03Å; E244-F247 PolarHBondContact O-N 3.5Å; E244-F247 VanDerWaalsContact O-N 3.16Å; E244-R248 WeakPolarHBondContact O-CG 3.47Å; E244-R248 PolarHBondContact O-N 2.79Å; E244-R248 IonicContact OE1-CZ 3.36Å; E244-R248 VanDerWaalsContact OE1-CZ 3.22Å; E244-R248 IonicContact OE1-NE 3.33Å; E244-R248 PolarHBondContact OE1-NE 2.77Å; E244-R248 IonicContact OE1-NH2 2.8Å; E244-R248 PolarHBondContact OE1-NH2 3.08Å; E244-G280 PolarHBondContact N-O 3.32Å; E244-R486 HydrophobicContact CB-CG 4.21Å; E244-P487 HydrophobicContact CB-CG 4.47Å
245	D	97.4	Very high	95.9	Very high	32 Å²	32	56.9 Å²	56.9	17%	0.171	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-42.1	171.1	-173.8	25.3	0	0	0	111.3	G240 K241 E242 F247 R248 R249	G240-D245 VanDerWaalsContact CA-OD2 3.23Å; G240-D245 WeakPolarHBondContact CA-OD2 3.45Å; K241-D245 PolarHBondContact N-OD2 2.95Å; E242-D245 PolarHBondContact O-N 3.33Å; E242-D245 PolarHBondContact OE1-N 3.32Å; D245-F247 VanDerWaalsContact C-N 3.33Å; D245-F247 PolarHBondContact O-N 3.29Å; D245-R248 PolarHBondContact O-N 3.14Å; D245-R249 VanDerWaalsContact CG-NE 3.34Å; D245-R249 VanDerWaalsContact O-CG 3.23Å; D245-R249 WeakPolarHBondContact O-CG 3.49Å; D245-R249 PolarHBondContact O-N 2.77Å; D245-R249 IonicContact OD1-CZ 2.74Å; D245-R249 IonicContact OD1-NE 3.71Å; D245-R249 PolarHBondContact OD1-NE 3.43Å; D245-R249 IonicContact OD1-NH2 3.95Å; D245-R249 PolarHBondContact OD1-NH2 3.3Å; D245-R249 IonicContact OD2-CZ 3.27Å; D245-R249 VanDerWaalsContact OD2-CZ 3.29Å; D245-R249 IonicContact OD2-NE 3.87Å; D245-R249 PolarHBondContact OD2-NE 3.21Å; D245-R249 IonicContact OD2-NH2 3.72Å; D245-R249 PolarHBondContact OD2-NH2 2.69Å
246	I	98	Very high	96.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-43.5	172.6	-71.5	176.9	0	0	0	111.4	V238 E242 C243 E244 R248 R249 G250 G251 Y257 I259	V238-I246 HydrophobicContact CG1-CG2 4.15Å; V238-I246 HydrophobicContact CG2-CG2 4.2Å; E242-I246 WeakPolarHBondContact O-CG1 3.46Å; E242-I246 PolarHBondContact O-N 2.87Å; E242-I246 VanDerWaalsContact O-N 3.08Å; C243-I246 PolarHBondContact O-N 3.02Å; E244-I246 VanDerWaalsContact C-N 3.33Å; E244-I246 PolarHBondContact O-N 3.16Å; I246-R248 VanDerWaalsContact C-N 3.34Å; I246-R248 PolarHBondContact O-N 2.71Å; I246-R249 CarbonylContact O-C 3.54Å; I246-R249 PolarHBondContact O-N 3.09Å; I246-G250 PolarHBondContact O-N 3.34Å; I246-G251 PolarHBondContact O-N 2.83Å; I246-Y257 HydrophobicContact CD1-CD1 4.07Å; I246-Y257 HydrophobicContact CD1-CG 3.97Å; I246-Y257 HydrophobicContact CG2-CD1 3.81Å; I246-Y257 HydrophobicContact CG2-CE1 3.8Å; I246-Y257 HydrophobicContact CG2-CG 4.26Å; I246-I259 HydrophobicContact CD1-CG2 3.57Å
247	F	97.3	Very high	96.4	Very high	32 Å²	32	52.6 Å²	52.6	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-43.4	179.2	-169.3	-114	0	0	0	111.7	C243 E244 D245 R249 G250 R252 Q274 N278	C243-F247 WeakPolarHBondContact O-CB 3.3Å; C243-F247 PolarHBondContact O-N 3.43Å; E244-F247 WeakPolarHBondContact O-CB 3.03Å; E244-F247 PolarHBondContact O-N 3.5Å; E244-F247 VanDerWaalsContact O-N 3.16Å; D245-F247 VanDerWaalsContact C-N 3.33Å; D245-F247 PolarHBondContact O-N 3.29Å; F247-R249 VanDerWaalsContact C-N 3.29Å; F247-R249 PolarHBondContact O-N 3.15Å; F247-G250 PolarHBondContact O-N 3.1Å; F247-R252 VanDerWaalsContact CE2-NH1 3.34Å; F247-Q274 VanDerWaalsContact CB-OE1 3.3Å; F247-Q274 HydrophobicContact CD2-CB 3.97Å; F247-Q274 HydrophobicContact CD2-CG 4.27Å; F247-Q274 HydrophobicContact CE2-CB 4.14Å; F247-Q274 WeakPolarHBondContact CE2-O 3.4Å; F247-N278 WeakPolarHBondContact CE1-O 3.43Å; F247-N278 WeakPolarHBondContact CZ-O 2.94Å
248	R	96.3	Very high	96.7	Very high	146 Å²	146	47.2 Å²	47.2	55%	0.551	23%	0.231	S	C	*	.	H	α-helix	trans	-64.6	-32.3	175.7	-71.2	178.5	-175.4	-167	2.9	112.9	E244 D245 I246 G250	E244-R248 WeakPolarHBondContact O-CG 3.47Å; E244-R248 PolarHBondContact O-N 2.79Å; E244-R248 IonicContact OE1-CZ 3.36Å; E244-R248 VanDerWaalsContact OE1-CZ 3.22Å; E244-R248 IonicContact OE1-NE 3.33Å; E244-R248 PolarHBondContact OE1-NE 2.77Å; E244-R248 IonicContact OE1-NH2 2.8Å; E244-R248 PolarHBondContact OE1-NH2 3.08Å; D245-R248 PolarHBondContact O-N 3.14Å; I246-R248 VanDerWaalsContact C-N 3.34Å; I246-R248 PolarHBondContact O-N 2.71Å; R248-G250 PolarHBondContact O-N 3.26Å
249	R	97.3	Very high	96.8	Very high	147 Å²	147	45.3 Å²	45.3	56%	0.555	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	3.6	173.8	-66.1	170.7	-168.7	-148.2	0.2	113.7	V238 S239 D245 I246 F247	V238-R249 HydrophobicContact CG2-CB 3.77Å; S239-R249 WeakPolarHBondContact O-CD 3.34Å; S239-R249 PolarHBondContact O-NH1 3.23Å; D245-R249 VanDerWaalsContact CG-NE 3.34Å; D245-R249 VanDerWaalsContact O-CG 3.23Å; D245-R249 WeakPolarHBondContact O-CG 3.49Å; D245-R249 PolarHBondContact O-N 2.77Å; D245-R249 IonicContact OD1-CZ 2.74Å; D245-R249 IonicContact OD1-NE 3.71Å; D245-R249 PolarHBondContact OD1-NE 3.43Å; D245-R249 IonicContact OD1-NH2 3.95Å; D245-R249 PolarHBondContact OD1-NH2 3.3Å; D245-R249 IonicContact OD2-CZ 3.27Å; D245-R249 VanDerWaalsContact OD2-CZ 3.29Å; D245-R249 IonicContact OD2-NE 3.87Å; D245-R249 PolarHBondContact OD2-NE 3.21Å; D245-R249 IonicContact OD2-NH2 3.72Å; D245-R249 PolarHBondContact OD2-NH2 2.69Å; I246-R249 CarbonylContact O-C 3.54Å; I246-R249 PolarHBondContact O-N 3.09Å; F247-R249 VanDerWaalsContact C-N 3.29Å; F247-R249 PolarHBondContact O-N 3.15Å
250	G	95.8	Very high	96.8	Very high	47 Å²	47	46.9 Å²	46.9	49%	0.485	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	6.9	175	0	0	0	0	0	115.3	I246 F247 R248 R252	I246-G250 PolarHBondContact O-N 3.34Å; F247-G250 PolarHBondContact O-N 3.1Å; R248-G250 PolarHBondContact O-N 3.26Å; G250-R252 PolarHBondContact O-N 3.16Å
251	G	95.7	Very high	96.8	Very high	4 Å²	4	47.3 Å²	47.3	4%	0.041	22%	0.224	C	C	.	.			trans	-73.5	90	171.4	0	0	0	0	0	111.4	I246 Q274	I246-G251 PolarHBondContact O-N 2.83Å; G251-Q274 WeakPolarHBondContact O-CG 3.47Å; G251-Q274 PolarHBondContact O-NE2 2.62Å
252	R	95	Very high	96.6	Very high	143 Å²	143	43.9 Å²	43.9	54%	0.54	21%	0.211	S	C	.	.			trans	-94.1	-18.9	-173.4	-61	-59.5	-174.3	172.1	0.3	115.1	F247 G250 Q274	F247-R252 VanDerWaalsContact CE2-NH1 3.34Å; G250-R252 PolarHBondContact O-N 3.16Å; R252-Q274 WeakPolarHBondContact O-CB 3.21Å
253	D	95	Very high	96.4	Very high	112 Å²	112	48.4 Å²	48.4	60%	0.599	24%	0.242	S	C	*	.	S	Bend	trans	-82.7	135.4	-177.6	-62.4	-48.4	0	0	0	111	Q255 Y257 Q274	D253-Q255 HydrophobicContact CB-CG 4.43Å; D253-Q255 PolarHBondContact O-N 3.21Å; D253-Y257 WeakPolarHBondContact O-CE2 3.32Å; D253-Y257 PolarHBondContact O-OH 2.81Å; D253-Q274 WeakPolarHBondContact O-CG 3.35Å
254	S	96.4	Very high	96.1	Very high	27 Å²	27	55.9 Å²	55.9	19%	0.189	28%	0.281	C	S	.	.			trans	-75	109.5	170.8	-64.8	0	0	0	0	110	C272 Q274 T275	S254-C272 WeakPolarHBondContact CA-O 3.38Å; S254-Q274 PolarHBondContact OG-N 2.9Å; S254-T275 PolarHBondContact OG-N 2.95Å; S254-T275 PolarHBondContact OG-OG1 3.31Å
255	Q	95.9	Very high	95.9	Very high	14 Å²	14	59.2 Å²	59.2	7%	0.065	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	179.8	-175.4	61	-175.4	-20.4	0	0	111.1	P236 D253 Y257 C272 C317	P236-Q255 HydrophobicContact CG-CG 4.38Å; D253-Q255 HydrophobicContact CB-CG 4.43Å; D253-Q255 PolarHBondContact O-N 3.21Å; Q255-Y257 HydrophobicContact CB-CE2 4.41Å; Q255-Y257 HydrophobicContact CG-CD2 3.96Å; Q255-Y257 HydrophobicContact CG-CE1 4.33Å; Q255-Y257 HydrophobicContact CG-CE2 3.3Å; Q255-Y257 PolarHBondContact NE2-OH 3.05Å; Q255-Y257 WeakPolarHBondContact O-CD2 3.19Å; Q255-C272 PolarHBondContact N-O 3.42Å; Q255-C272 PolarHBondContact O-N 3.47Å; Q255-C317 CarbonylContact C-O 3.59Å; Q255-C317 WeakPolarHBondContact CA-O 3.08Å; Q255-C317 WeakPolarHBondContact CB-O 3.48Å
256	M	96.7	Very high	95.8	Very high	7 Å²	7	62.6 Å²	62.6	3%	0.034	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128	168.7	-171.6	-158.9	73.1	0	0	111.5	C233 I235 P236 K269 V270 I308 A309 C317	C233-M256 HydrophobicContact CB-CE 3.49Å; C233-M256 VanDerWaalsContact CB-CE 3.49Å; C233-M256 HydrophobicContact CB-SD 3.69Å; I235-M256 HydrophobicContact CG1-CE 4.06Å; P236-M256 VanDerWaalsContact CD-O 3.28Å; P236-M256 WeakPolarHBondContact CD-O 3.25Å; P236-M256 WeakPolarHBondContact CG-O 3.35Å; M256-K269 HydrophobicContact CE-CD 4.37Å; M256-K269 HydrophobicContact CG-CB 4.32Å; M256-K269 HydrophobicContact SD-CB 4.24Å; M256-K269 HydrophobicContact SD-CD 3.77Å; M256-K269 HydrophobicContact SD-CG 4.11Å; M256-V270 CarbonylContact C-O 3.57Å; M256-V270 VanDerWaalsContact CA-O 3.32Å; M256-V270 WeakPolarHBondContact CA-O 3.45Å; M256-I308 HydrophobicContact CG-CG2 4.08Å; M256-A309 HydrophobicContact CB-CB 3.85Å; M256-A309 HydrophobicContact CG-CB 4.49Å; M256-C317 HydrophobicContact CB-CB 4.16Å; M256-C317 PolarHBondContact N-O 2.98Å
257	Y	97.3	Very high	95.8	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	170.3	171.1	-69.5	-91.9	0	0	0	111.5	P236 V238 I246 D253 Q255 K269 V270 C272 Q274	P236-Y257 HydrophobicContact CB-CD1 3.82Å; P236-Y257 HydrophobicContact CB-CE1 3.76Å; P236-Y257 HydrophobicContact CG-CD1 3.86Å; P236-Y257 HydrophobicContact CG-CE1 3.88Å; P236-Y257 HydrophobicContact CG-CG 4.5Å; V238-Y257 HydrophobicContact CG1-CD1 4.01Å; V238-Y257 HydrophobicContact CG1-CE1 3.53Å; I246-Y257 HydrophobicContact CD1-CD1 4.07Å; I246-Y257 HydrophobicContact CD1-CG 3.97Å; I246-Y257 HydrophobicContact CG2-CD1 3.81Å; I246-Y257 HydrophobicContact CG2-CE1 3.8Å; I246-Y257 HydrophobicContact CG2-CG 4.26Å; D253-Y257 WeakPolarHBondContact O-CE2 3.32Å; D253-Y257 PolarHBondContact O-OH 2.81Å; Q255-Y257 HydrophobicContact CB-CE2 4.41Å; Q255-Y257 HydrophobicContact CG-CD2 3.96Å; Q255-Y257 HydrophobicContact CG-CE1 4.33Å; Q255-Y257 HydrophobicContact CG-CE2 3.3Å; Q255-Y257 PolarHBondContact NE2-OH 3.05Å; Q255-Y257 WeakPolarHBondContact O-CD2 3.19Å; Y257-K269 WeakPolarHBondContact O-CA 3.32Å; Y257-V270 PolarHBondContact N-O 3.07Å; Y257-V270 PolarHBondContact O-N 2.82Å; Y257-C272 HydrophobicContact CD2-CB 3.53Å; Y257-C272 VanDerWaalsContact CD2-SG 3.52Å; Y257-C272 HydrophobicContact CE2-CB 3.86Å; Y257-Q274 HydrophobicContact CE2-CG 4.45Å
258	L	97.4	Very high	95.8	Very high	39 Å²	39	65.1 Å²	65.1	20%	0.204	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.3	171.7	-172.9	76.3	0	0	0	109.2	I235 S239 P267 K269	I235-L258 HydrophobicContact CG2-CB 3.68Å; I235-L258 HydrophobicContact CG2-CD2 4.36Å; S239-L258 WeakPolarHBondContact CB-O 2.99Å; S239-L258 PolarHBondContact OG-O 3.24Å; L258-P267 HydrophobicContact CD1-CB 4.01Å; L258-P267 HydrophobicContact CD1-CG 4.49Å; L258-P267 HydrophobicContact CD2-CB 3.98Å; L258-P267 HydrophobicContact CD2-CG 4.06Å; L258-P267 HydrophobicContact CG-CB 3.82Å; L258-P267 HydrophobicContact CG-CG 4.41Å; L258-K269 HydrophobicContact CD1-CG 4.1Å
259	I	98.1	Very high	95.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	154.1	180	62.3	166.2	0	0	0	111.5	G240 I246 P261 P267 Y268 V270 L333	G240-I259 WeakPolarHBondContact O-CA 3.31Å; I246-I259 HydrophobicContact CD1-CG2 3.57Å; I259-P261 HydrophobicContact CD1-CG 4.23Å; I259-P267 CarbonylContact O-C 3.56Å; I259-P267 WeakPolarHBondContact O-CA 3.38Å; I259-P267 WeakPolarHBondContact O-CB 3.47Å; I259-Y268 HydrophobicContact CD1-CD2 4.45Å; I259-Y268 HydrophobicContact CD1-CE2 3.64Å; I259-Y268 HydrophobicContact CG1-CD2 4.16Å; I259-Y268 HydrophobicContact CG1-CE2 3.8Å; I259-Y268 PolarHBondContact N-O 3.21Å; I259-Y268 PolarHBondContact O-N 3.43Å; I259-V270 HydrophobicContact CB-CG2 4.4Å; I259-V270 HydrophobicContact CD1-CB 4.41Å; I259-V270 HydrophobicContact CD1-CG1 3.61Å; I259-V270 HydrophobicContact CD1-CG2 3.91Å; I259-V270 HydrophobicContact CG1-CG1 3.87Å; I259-V270 HydrophobicContact CG1-CG2 3.87Å; I259-V270 HydrophobicContact CG2-CG2 3.7Å; I259-L333 HydrophobicContact CD1-CD2 4.17Å
260	Q	97.4	Very high	95.8	Very high	73 Å²	73	55.5 Å²	55.5	34%	0.341	31%	0.305	S	S	.	.			trans	-136.7	85.3	174.6	-164.7	177.4	10.7	0	0	110.6	G240 K241 D262 P263 L265 P267	G240-Q260 PolarHBondContact O-N 3.24Å; K241-Q260 WeakPolarHBondContact CA-O 3.24Å; Q260-D262 WeakPolarHBondContact CG-O 3.28Å; Q260-D262 PolarHBondContact O-N 2.8Å; Q260-P263 PolarHBondContact NE2-O 2.82Å; Q260-L265 PolarHBondContact NE2-O 3.08Å; Q260-P267 HydrophobicContact CB-CB 4.07Å; Q260-P267 HydrophobicContact CG-CB 4.32Å
261	P	95.7	Very high	96	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.104	28%	0.284	C	S	.	.	S	Bend	trans	-59.6	-44.2	179.2	-25.4	34.3	0	0	0	113.3	K241 I259 Y268 L333 M336	K241-P261 WeakPolarHBondContact O-CA 3.19Å; K241-P261 WeakPolarHBondContact O-CG 3.38Å; I259-P261 HydrophobicContact CD1-CG 4.23Å; P261-Y268 HydrophobicContact CG-CE1 3.86Å; P261-Y268 VanDerWaalsContact CG-OH 3.29Å; P261-Y268 WeakPolarHBondContact CG-OH 3.5Å; P261-L333 HydrophobicContact CB-CD2 4.24Å; P261-L333 HydrophobicContact CG-CD2 3.66Å; P261-L333 HydrophobicContact CG-CG 4.45Å; P261-M336 HydrophobicContact CB-SD 3.71Å
262	D	93.4	Very high	96.1	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	28%	0.282	C	S	.	.	S	Bend	trans	-114.1	120.4	179.7	-172.3	-18	0	0	0	110	Q260 L264 L265 H332	Q260-D262 WeakPolarHBondContact CG-O 3.28Å; Q260-D262 PolarHBondContact O-N 2.8Å; D262-L264 PolarHBondContact O-N 3.06Å; D262-L264 VanDerWaalsContact O-N 3.12Å; D262-L264 WeakPolarHBondContact OD1-CB 3.49Å; D262-L264 PolarHBondContact OD1-N 3.46Å; D262-L265 HydrophobicContact CB-CB 4.21Å; D262-L265 HydrophobicContact CB-CD1 4.12Å; D262-L265 HydrophobicContact CB-CG 4.16Å; D262-L265 PolarHBondContact O-N 3.08Å; D262-L265 VanDerWaalsContact O-N 3.08Å; D262-H332 IonicContact OD2-CE1 2.76Å
263	P	92	Very high	96.2	Very high	108 Å²	108	47.7 Å²	47.7	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.4	175.9	-24.6	34.6	0	0	0	114.6	Q260	Q260-P263 PolarHBondContact NE2-O 2.82Å
264	L	93.6	Very high	96.4	Very high	157 Å²	157	42.7 Å²	42.7	82%	0.822	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-15	179.8	-58.2	178.3	0	0	0	113.3	D262	D262-L264 PolarHBondContact O-N 3.06Å; D262-L264 VanDerWaalsContact O-N 3.12Å; D262-L264 WeakPolarHBondContact OD1-CB 3.49Å; D262-L264 PolarHBondContact OD1-N 3.46Å
265	L	93	Very high	96.4	Very high	92 Å²	92	46.2 Å²	46.2	48%	0.482	26%	0.255	S	S	.	.	S	Bend	trans	-107.4	151.3	-178.9	-64.7	178.3	0	0	0	111.3	Q260 D262	Q260-L265 PolarHBondContact NE2-O 3.08Å; D262-L265 HydrophobicContact CB-CB 4.21Å; D262-L265 HydrophobicContact CB-CD1 4.12Å; D262-L265 HydrophobicContact CB-CG 4.16Å; D262-L265 PolarHBondContact O-N 3.08Å; D262-L265 VanDerWaalsContact O-N 3.08Å
266	P	95	Very high	96.4	Very high	103 Å²	103	47.2 Å²	47.2	67%	0.669	26%	0.262	S	S	*	.			trans	-64.7	142.6	177.6	26.4	-34	0	0	0	111.1
267	P	96.9	Very high	96.2	Very high	59 Å²	59	50.4 Å²	50.4	38%	0.383	28%	0.277	S	S	.	.			trans	-65.6	152.7	176.3	29.1	-36	0	0	0	111.3	L258 I259 Q260	L258-P267 HydrophobicContact CD1-CB 4.01Å; L258-P267 HydrophobicContact CD1-CG 4.49Å; L258-P267 HydrophobicContact CD2-CB 3.98Å; L258-P267 HydrophobicContact CD2-CG 4.06Å; L258-P267 HydrophobicContact CG-CB 3.82Å; L258-P267 HydrophobicContact CG-CG 4.41Å; I259-P267 CarbonylContact O-C 3.56Å; I259-P267 WeakPolarHBondContact O-CA 3.38Å; I259-P267 WeakPolarHBondContact O-CB 3.47Å; Q260-P267 HydrophobicContact CB-CB 4.07Å; Q260-P267 HydrophobicContact CG-CB 4.32Å
268	Y	97.3	Very high	96.1	Very high	27 Å²	27	56.9 Å²	56.9	11%	0.106	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.6	179.5	60	-91.5	0	0	0	112.2	I259 P261 V270 L325 R329 L333	I259-Y268 HydrophobicContact CD1-CD2 4.45Å; I259-Y268 HydrophobicContact CD1-CE2 3.64Å; I259-Y268 HydrophobicContact CG1-CD2 4.16Å; I259-Y268 HydrophobicContact CG1-CE2 3.8Å; I259-Y268 PolarHBondContact N-O 3.21Å; I259-Y268 PolarHBondContact O-N 3.43Å; P261-Y268 HydrophobicContact CG-CE1 3.86Å; P261-Y268 VanDerWaalsContact CG-OH 3.29Å; P261-Y268 WeakPolarHBondContact CG-OH 3.5Å; Y268-V270 HydrophobicContact CD2-CG1 3.8Å; Y268-V270 HydrophobicContact CE2-CG1 3.59Å; Y268-L325 HydrophobicContact CD2-CD1 4.28Å; Y268-L325 HydrophobicContact CE2-CD1 4.12Å; Y268-L325 HydrophobicContact CE2-CD2 4.43Å; Y268-R329 HydrophobicContact CE1-CG 4.19Å; Y268-R329 HydrophobicContact CE2-CB 4.33Å; Y268-R329 HydrophobicContact CE2-CG 4.18Å; Y268-L333 WeakPolarHBondContact OH-CD1 3.35Å; Y268-L333 WeakPolarHBondContact OH-CG 3.41Å
269	K	97.3	Very high	96	Very high	91 Å²	91	55 Å²	55	40%	0.396	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	141.6	-176.5	-66	169.7	179.7	179	0	110.1	M256 Y257 L258 I308	M256-K269 HydrophobicContact CE-CD 4.37Å; M256-K269 HydrophobicContact CG-CB 4.32Å; M256-K269 HydrophobicContact SD-CB 4.24Å; M256-K269 HydrophobicContact SD-CD 3.77Å; M256-K269 HydrophobicContact SD-CG 4.11Å; Y257-K269 WeakPolarHBondContact O-CA 3.32Å; L258-K269 HydrophobicContact CD1-CG 4.1Å; K269-I308 HydrophobicContact CB-CD1 3.54Å; K269-I308 VanDerWaalsContact O-CD1 3.3Å; K269-I308 WeakPolarHBondContact O-CD1 3.28Å
270	V	98.1	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.2	173	-64.1	0	0	0	0	109.7	M256 Y257 I259 Y268 V282 L325	M256-V270 CarbonylContact C-O 3.57Å; M256-V270 VanDerWaalsContact CA-O 3.32Å; M256-V270 WeakPolarHBondContact CA-O 3.45Å; Y257-V270 PolarHBondContact N-O 3.07Å; Y257-V270 PolarHBondContact O-N 2.82Å; I259-V270 HydrophobicContact CB-CG2 4.4Å; I259-V270 HydrophobicContact CD1-CB 4.41Å; I259-V270 HydrophobicContact CD1-CG1 3.61Å; I259-V270 HydrophobicContact CD1-CG2 3.91Å; I259-V270 HydrophobicContact CG1-CG1 3.87Å; I259-V270 HydrophobicContact CG1-CG2 3.87Å; I259-V270 HydrophobicContact CG2-CG2 3.7Å; Y268-V270 HydrophobicContact CD2-CG1 3.8Å; Y268-V270 HydrophobicContact CE2-CG1 3.59Å; V270-V282 HydrophobicContact CB-CG1 4.18Å; V270-V282 HydrophobicContact CG1-CG1 4.12Å; V270-V282 HydrophobicContact CG2-CG1 4.47Å; V270-L325 HydrophobicContact CG1-CD1 3.81Å; V270-L325 HydrophobicContact CG1-CD2 4.34Å
271	F	98.3	Very high	96	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.4	165.4	-169.2	-84.3	0	0	0	108.9	L283 I308 A309 E318 P320 Y323	F271-L283 HydrophobicContact CB-CB 4.15Å; F271-L283 HydrophobicContact CB-CD2 3.99Å; F271-L283 HydrophobicContact CD1-CB 4.39Å; F271-L283 HydrophobicContact CD1-CD2 3.92Å; F271-L283 HydrophobicContact CG-CD2 4.15Å; F271-L283 WeakPolarHBondContact O-CB 3.07Å; F271-L283 PolarHBondContact O-N 2.99Å; F271-I308 HydrophobicContact CB-CG2 4.1Å; F271-A309 HydrophobicContact CD2-CB 3.98Å; F271-A309 HydrophobicContact CE2-CB 4.49Å; F271-E318 WeakPolarHBondContact CE2-O 3.32Å; F271-E318 WeakPolarHBondContact CZ-O 3.37Å; F271-P320 HydrophobicContact CD1-CB 4.07Å; F271-P320 HydrophobicContact CD2-CB 3.81Å; F271-P320 HydrophobicContact CE1-CB 4.12Å; F271-P320 HydrophobicContact CE1-CG 4.28Å; F271-P320 HydrophobicContact CE2-CB 3.87Å; F271-P320 HydrophobicContact CE2-CG 4.31Å; F271-P320 HydrophobicContact CG-CB 3.92Å; F271-P320 HydrophobicContact CZ-CB 4.03Å; F271-P320 HydrophobicContact CZ-CG 4.09Å; F271-Y323 HydrophobicContact CB-CE1 4.45Å; F271-Y323 WeakPolarHBondContact CB-OH 3.34Å; F271-Y323 PolarHBondContact N-OH 3.3Å
272	C	98.4	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.1	173.3	-62.4	0	0	0	0	109.9	C243 S254 Q255 Y257 Q274 W281	C243-C272 HydrophobicContact CB-CB 3.64Å; C243-C272 WeakPolarHBondContact CB-SG 3.39Å; C243-C272 WeakPolarHBondContact SG-CA 3.47Å; C243-C272 WeakPolarHBondContact SG-CB 3.29Å; C243-C272 CovalentContact SG-SG 2.03Å; C243-C272 PolarHBondContact SG-SG 3.4Å; S254-C272 WeakPolarHBondContact CA-O 3.38Å; Q255-C272 PolarHBondContact N-O 3.42Å; Q255-C272 PolarHBondContact O-N 3.47Å; Y257-C272 HydrophobicContact CD2-CB 3.53Å; Y257-C272 VanDerWaalsContact CD2-SG 3.52Å; Y257-C272 HydrophobicContact CE2-CB 3.86Å; C272-Q274 HydrophobicContact CB-CG 4.06Å; C272-W281 WeakPolarHBondContact CA-O 3.29Å
273	D	98.3	Very high	96.4	Very high	18 Å²	18	49.2 Å²	49.2	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	104.5	165.3	174.8	2.2	0	0	0	108.7	T275 T276 G279 G280 W281 K484	D273-T275 PolarHBondContact OD1-N 3.23Å; D273-T275 PolarHBondContact OD1-OG1 2.58Å; D273-T276 PolarHBondContact OD1-N 3.07Å; D273-T276 PolarHBondContact OD1-OG1 3.39Å; D273-T276 WeakPolarHBondContact OD2-CB 3.2Å; D273-T276 PolarHBondContact OD2-OG1 2.83Å; D273-G279 WeakPolarHBondContact O-CA 3.22Å; D273-G280 PolarHBondContact O-N 3.3Å; D273-W281 HydrophobicContact CB-CB 4.08Å; D273-W281 PolarHBondContact N-O 3.31Å; D273-W281 PolarHBondContact O-N 2.88Å; D273-W281 VanDerWaalsContact O-N 3.1Å; D273-K484 IonicContact OD2-NZ 3.54Å; D273-K484 PolarHBondContact OD2-NZ 3.09Å
274	Q	97.4	Very high	96.7	Very high	7 Å²	7	44 Å²	44	3%	0.033	24%	0.239	C	C	.	.			trans	-97.6	10.1	-177.8	-58.9	-62.5	11.8	0	0	112.6	C243 F247 G251 R252 D253 S254 Y257 C272 G279	C243-Q274 PolarHBondContact O-NE2 2.75Å; F247-Q274 VanDerWaalsContact CB-OE1 3.3Å; F247-Q274 HydrophobicContact CD2-CB 3.97Å; F247-Q274 HydrophobicContact CD2-CG 4.27Å; F247-Q274 HydrophobicContact CE2-CB 4.14Å; F247-Q274 WeakPolarHBondContact CE2-O 3.4Å; G251-Q274 WeakPolarHBondContact O-CG 3.47Å; G251-Q274 PolarHBondContact O-NE2 2.62Å; R252-Q274 WeakPolarHBondContact O-CB 3.21Å; D253-Q274 WeakPolarHBondContact O-CG 3.35Å; S254-Q274 PolarHBondContact OG-N 2.9Å; Y257-Q274 HydrophobicContact CE2-CG 4.45Å; C272-Q274 HydrophobicContact CB-CG 4.06Å; Q274-G279 VanDerWaalsContact C-CA 3.41Å
275	T	96.6	Very high	97	Very high	102 Å²	102	36.6 Å²	36.6	63%	0.626	20%	0.2	S	C	*	.	S	Bend	trans	-117.4	-41.9	-172.5	44	0	0	0	0	113	S254 D273	S254-T275 PolarHBondContact OG-N 2.95Å; S254-T275 PolarHBondContact OG-OG1 3.31Å; D273-T275 PolarHBondContact OD1-N 3.23Å; D273-T275 PolarHBondContact OD1-OG1 2.58Å
276	T	95.8	Very high	97.2	Very high	34 Å²	34	32.8 Å²	32.8	21%	0.209	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-73.3	133.8	-175.8	-57.1	0	0	0	0	111.4	D273 N278 G279 W281 L342 K484	D273-T276 PolarHBondContact OD1-N 3.07Å; D273-T276 PolarHBondContact OD1-OG1 3.39Å; D273-T276 WeakPolarHBondContact OD2-CB 3.2Å; D273-T276 PolarHBondContact OD2-OG1 2.83Å; T276-N278 VanDerWaalsContact C-N 3.31Å; T276-N278 PolarHBondContact O-N 3.48Å; T276-G279 PolarHBondContact O-N 3.4Å; T276-W281 PolarHBondContact O-NE1 3.27Å; T276-L342 HydrophobicContact CG2-CD2 4.09Å; T276-K484 PolarHBondContact OG1-NZ 2.86Å
277	Q	93.7	Very high	97.4	Very high	75 Å²	75	28.2 Å²	28.2	35%	0.35	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	44.1	51.4	175.9	-62.9	-170.8	6.5	0	0	113.8	G279 W281 L342 R486	Q277-G279 VanDerWaalsContact C-N 3.34Å; Q277-G279 PolarHBondContact O-N 2.81Å; Q277-W281 HydrophobicContact CB-CZ2 4.37Å; Q277-L342 HydrophobicContact CG-CD2 4.41Å; Q277-R486 PolarHBondContact O-NH1 3.02Å
278	N	94	Very high	97.4	Very high	138 Å²	138	28.1 Å²	28.1	74%	0.738	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	71.6	14.1	-176.9	-49.6	-44.7	0	0	0	116.2	F247 T276	F247-N278 WeakPolarHBondContact CE1-O 3.43Å; F247-N278 WeakPolarHBondContact CZ-O 2.94Å; T276-N278 VanDerWaalsContact C-N 3.31Å; T276-N278 PolarHBondContact O-N 3.48Å
279	G	95.8	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	74.1	-165.3	173.7	0	0	0	0	0	114.3	D273 Q274 T276 Q277 W281 R486	D273-G279 WeakPolarHBondContact O-CA 3.22Å; Q274-G279 VanDerWaalsContact C-CA 3.41Å; T276-G279 PolarHBondContact O-N 3.4Å; Q277-G279 VanDerWaalsContact C-N 3.34Å; Q277-G279 PolarHBondContact O-N 2.81Å; G279-W281 VanDerWaalsContact C-N 3.34Å; G279-R486 WeakPolarHBondContact O-CD 3.44Å; G279-R486 PolarHBondContact O-NH1 3.12Å
280	G	97.4	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.			trans	79	11.2	-179.4	0	0	0	0	0	115	E244 D273 R486	E244-G280 PolarHBondContact N-O 3.32Å; D273-G280 PolarHBondContact O-N 3.3Å; G280-R486 WeakPolarHBondContact O-CG 2.86Å
281	W	98.6	Very high	97.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.7	-175.4	-66.8	99.4	0	0	0	112.2	C272 D273 T276 Q277 G279 E340 L342 K484 R486	C272-W281 WeakPolarHBondContact CA-O 3.29Å; D273-W281 HydrophobicContact CB-CB 4.08Å; D273-W281 PolarHBondContact N-O 3.31Å; D273-W281 PolarHBondContact O-N 2.88Å; D273-W281 VanDerWaalsContact O-N 3.1Å; T276-W281 PolarHBondContact O-NE1 3.27Å; Q277-W281 HydrophobicContact CB-CZ2 4.37Å; G279-W281 VanDerWaalsContact C-N 3.34Å; W281-E340 HydrophobicContact CH2-CG 3.84Å; W281-E340 HydrophobicContact CZ3-CG 4.03Å; W281-L342 HydrophobicContact CE3-CB 4.21Å; W281-L342 HydrophobicContact CH2-CB 3.56Å; W281-L342 HydrophobicContact CH2-CD2 4.25Å; W281-L342 HydrophobicContact CZ2-CB 4.09Å; W281-L342 HydrophobicContact CZ2-CD2 3.9Å; W281-L342 HydrophobicContact CZ3-CB 3.62Å; W281-K484 HydrophobicContact CB-CB 4.09Å; W281-K484 HydrophobicContact CB-CD 3.87Å; W281-K484 HydrophobicContact CB-CG 4.04Å; W281-K484 HydrophobicContact CD2-CD 4.26Å; W281-K484 HydrophobicContact CD2-CG 3.95Å; W281-K484 HydrophobicContact CE3-CB 4.21Å; W281-K484 HydrophobicContact CE3-CG 3.72Å; W281-K484 HydrophobicContact CG-CD 3.98Å; W281-K484 HydrophobicContact CG-CG 4.11Å; W281-K484 HydrophobicContact CZ3-CG 4.48Å; W281-R486 HydrophobicContact CD2-CB 4.03Å; W281-R486 HydrophobicContact CE3-CB 3.6Å; W281-R486 HydrophobicContact CH2-CB 4.31Å; W281-R486 HydrophobicContact CZ3-CB 3.76Å
282	V	98.7	Very high	97.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.9	166.8	-173.8	0	0	0	0	108.4	E242 C243 V270 I284 L325 L333 K484 I485	E242-V282 HydrophobicContact CB-CG2 3.96Å; C243-V282 HydrophobicContact CB-CG2 3.71Å; C243-V282 VanDerWaalsContact SG-CG2 3.55Å; V270-V282 HydrophobicContact CB-CG1 4.18Å; V270-V282 HydrophobicContact CG1-CG1 4.12Å; V270-V282 HydrophobicContact CG2-CG1 4.47Å; V282-I284 HydrophobicContact CG1-CG2 4.3Å; V282-I284 PolarHBondContact O-N 2.83Å; V282-L325 HydrophobicContact CG1-CD2 4.41Å; V282-L333 HydrophobicContact CG1-CD1 4.13Å; V282-K484 CarbonylContact O-C 3.37Å; V282-K484 WeakPolarHBondContact O-CA 3.25Å; V282-K484 WeakPolarHBondContact O-CB 3.29Å; V282-I485 HydrophobicContact CB-CG1 4.05Å; V282-I485 PolarHBondContact N-O 2.97Å; V282-I485 PolarHBondContact O-N 2.84Å
283	L	98.8	Very high	97.3	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.5	172.7	-175.4	65.4	0	0	0	109.3	F271 Q285 N286 P320 Y323 K484	F271-L283 HydrophobicContact CB-CB 4.15Å; F271-L283 HydrophobicContact CB-CD2 3.99Å; F271-L283 HydrophobicContact CD1-CB 4.39Å; F271-L283 HydrophobicContact CD1-CD2 3.92Å; F271-L283 HydrophobicContact CG-CD2 4.15Å; F271-L283 WeakPolarHBondContact O-CB 3.07Å; F271-L283 PolarHBondContact O-N 2.99Å; L283-Q285 VanDerWaalsContact CD1-O 3.29Å; L283-Q285 WeakPolarHBondContact CD1-O 3.32Å; L283-N286 HydrophobicContact CD1-CB 4.28Å; L283-N286 HydrophobicContact CD2-CB 3.97Å; L283-N286 HydrophobicContact CG-CB 4.29Å; L283-P320 HydrophobicContact CD2-CB 3.76Å; L283-Y323 WeakPolarHBondContact CB-OH 3.44Å; L283-Y323 HydrophobicContact CD2-CE1 3.83Å; L283-Y323 HydrophobicContact CG-CE1 4.14Å; L283-Y323 PolarHBondContact O-OH 2.77Å; L283-K484 HydrophobicContact CD1-CB 4.29Å
284	I	98.8	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-23.5	-176.4	59.8	163.1	0	0	0	113.2	V282 L325 I330 F360 M483 I485	V282-I284 HydrophobicContact CG1-CG2 4.3Å; V282-I284 PolarHBondContact O-N 2.83Å; I284-L325 HydrophobicContact CB-CB 4.31Å; I284-L325 HydrophobicContact CB-CD2 4.45Å; I284-L325 HydrophobicContact CG2-CD2 3.82Å; I284-L325 WeakPolarHBondContact O-CB 3.32Å; I284-L325 PolarHBondContact O-N 3.43Å; I284-I330 HydrophobicContact CB-CD1 4.13Å; I284-I330 HydrophobicContact CB-CG1 4.06Å; I284-I330 HydrophobicContact CD1-CD1 4.36Å; I284-I330 HydrophobicContact CD1-CG2 3.75Å; I284-I330 HydrophobicContact CG2-CG1 4.15Å; I284-I330 HydrophobicContact CG2-CG2 4.36Å; I284-F360 HydrophobicContact CD1-CE1 4.16Å; I284-F360 HydrophobicContact CD1-CZ 4.27Å; I284-M483 HydrophobicContact CD1-CB 4.25Å; I284-M483 HydrophobicContact CG1-CB 3.88Å; I284-M483 WeakPolarHBondContact CG1-O 3.32Å; I284-M483 PolarHBondContact N-O 2.96Å; I284-I485 HydrophobicContact CD1-CG2 3.74Å; I284-I485 HydrophobicContact CG1-CG2 4.36Å; I284-I485 HydrophobicContact CG2-CD1 3.81Å; I284-I485 HydrophobicContact CG2-CG1 3.76Å
285	Q	98.8	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	141.1	174.5	-170.4	-93.8	31.6	0	0	108.9	L283 F294 Y323 W324 P443 N444 I481 S482 M483	L283-Q285 VanDerWaalsContact CD1-O 3.29Å; L283-Q285 WeakPolarHBondContact CD1-O 3.32Å; Q285-F294 HydrophobicContact CG-CE1 4.22Å; Q285-Y323 WeakPolarHBondContact CA-O 3.13Å; Q285-W324 HydrophobicContact CB-CE3 3.67Å; Q285-W324 HydrophobicContact CB-CZ3 3.72Å; Q285-W324 HydrophobicContact CG-CE3 3.5Å; Q285-W324 HydrophobicContact CG-CZ3 3.71Å; Q285-P443 PolarHBondContact NE2-O 2.83Å; Q285-N444 WeakPolarHBondContact CG-OD1 3.02Å; Q285-N444 PolarHBondContact NE2-OD1 2.88Å; Q285-I481 PolarHBondContact OE1-O 3.42Å; Q285-S482 WeakPolarHBondContact O-CA 3.28Å; Q285-M483 HydrophobicContact CB-CB 3.93Å; Q285-M483 HydrophobicContact CB-CG 4.03Å; Q285-M483 HydrophobicContact CB-SD 4.08Å; Q285-M483 HydrophobicContact CG-SD 4.44Å; Q285-M483 PolarHBondContact N-O 3.06Å; Q285-M483 PolarHBondContact O-N 3.18Å
286	N	98.7	Very high	97.4	Very high	13 Å²	13	34.1 Å²	34.1	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.2	173.2	-167	41.3	0	0	0	112.6	L283 L288 G321 E322 Y323 I481 S482	L283-N286 HydrophobicContact CD1-CB 4.28Å; L283-N286 HydrophobicContact CD2-CB 3.97Å; L283-N286 HydrophobicContact CG-CB 4.29Å; N286-L288 WeakPolarHBondContact ND2-CD2 3.42Å; N286-G321 WeakPolarHBondContact CB-O 3.27Å; N286-G321 PolarHBondContact ND2-O 3.5Å; N286-E322 VanDerWaalsContact O-CA 3.27Å; N286-E322 WeakPolarHBondContact O-CA 3.28Å; N286-Y323 HydrophobicContact CB-CD1 4.47Å; N286-Y323 HydrophobicContact CB-CE1 4.49Å; N286-Y323 PolarHBondContact N-O 3.42Å; N286-Y323 VanDerWaalsContact N-O 3.1Å; N286-Y323 PolarHBondContact O-N 3.09Å; N286-I481 CarbonylContact C-O 3.57Å; N286-S482 WeakPolarHBondContact OD1-CB 3.08Å
287	R	98.5	Very high	97.6	Very high	6 Å²	6	38.9 Å²	38.9	2%	0.023	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.1	171.8	-50.5	-69.8	-81.4	158.1	-20.8	109	V292 F294 E322 G445 A480 I481	R287-V292 PolarHBondContact NH1-O 3.02Å; R287-F294 VanDerWaalsContact CD-CE2 3.49Å; R287-E322 WeakPolarHBondContact CA-OE1 3.09Å; R287-E322 IonicContact CZ-OE2 2.97Å; R287-E322 IonicContact NH1-OE1 3.88Å; R287-E322 IonicContact NH1-OE2 3.16Å; R287-E322 PolarHBondContact NH1-OE2 2.93Å; R287-G445 PolarHBondContact NH2-O 3.46Å; R287-G445 VanDerWaalsContact NH2-O 3.16Å; R287-A480 WeakPolarHBondContact O-CA 3.2Å; R287-I481 HydrophobicContact CB-CG2 3.71Å; R287-I481 HydrophobicContact CG-CG2 3.65Å; R287-I481 PolarHBondContact N-O 3.33Å; R287-I481 PolarHBondContact O-N 3.23Å
288	L	96.6	Very high	97.8	Very high	57 Å²	57	35.8 Å²	35.8	30%	0.298	19%	0.193	S	C	.	.	S	Bend	trans	-153.6	-24.4	-176.4	67.4	117.3	0	0	0	115.2	N286 E322 Y447	N286-L288 WeakPolarHBondContact ND2-CD2 3.42Å; L288-E322 HydrophobicContact CD2-CG 3.75Å; L288-E322 HydrophobicContact CG-CG 3.93Å; L288-E322 PolarHBondContact N-OE1 3.34Å; L288-Y447 PolarHBondContact O-OH 3Å
289	D	96.5	Very high	98	Very high	73 Å²	73	32.2 Å²	32.2	39%	0.39	17%	0.174	S	C	.	.	S	Bend	trans	-149.6	-7.6	-169.3	62.9	6.6	0	0	0	115.1	S291 E322 Y447	D289-S291 VanDerWaalsContact C-N 3.29Å; D289-S291 WeakPolarHBondContact OD1-CB 3.39Å; D289-S291 PolarHBondContact OD1-N 2.78Å; D289-S291 PolarHBondContact OD1-OG 3.32Å; D289-E322 PolarHBondContact N-OE1 3.09Å; D289-E322 WeakPolarHBondContact OD1-CG 3.45Å; D289-Y447 VanDerWaalsContact C-CE1 3.43Å
290	G	97.1	Very high	98.1	Very high	34 Å²	34	34.3 Å²	34.3	35%	0.351	19%	0.185	S	C	.	.	S	Bend	trans	71.9	20.7	-177	0	0	0	0	0	113.9	V292 E322	G290-V292 VanDerWaalsContact C-N 3.29Å; G290-V292 PolarHBondContact O-N 2.93Å; G290-E322 WeakPolarHBondContact CA-OE2 3.43Å; G290-E322 VanDerWaalsContact N-CD 3.31Å; G290-E322 PolarHBondContact N-OE1 3.36Å; G290-E322 PolarHBondContact N-OE2 3.39Å
291	S	97.1	Very high	98.2	Very high	66 Å²	66	34.3 Å²	34.3	46%	0.462	19%	0.185	S	C	.	.			trans	-70.9	-20.5	179.3	58.3	0	0	0	0	114	D289 E322	D289-S291 VanDerWaalsContact C-N 3.29Å; D289-S291 WeakPolarHBondContact OD1-CB 3.39Å; D289-S291 PolarHBondContact OD1-N 2.78Å; D289-S291 PolarHBondContact OD1-OG 3.32Å; S291-E322 PolarHBondContact N-OE2 3.19Å; S291-E322 VanDerWaalsContact N-OE2 3.07Å
292	V	98.2	Very high	98.2	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.067	20%	0.197	C	C	.	.	S	Bend	trans	-119.3	133.6	-179.8	176.7	0	0	0	0	111	R287 G290 F294 F305 E322	R287-V292 PolarHBondContact NH1-O 3.02Å; G290-V292 VanDerWaalsContact C-N 3.29Å; G290-V292 PolarHBondContact O-N 2.93Å; V292-F294 HydrophobicContact CB-CD2 4.47Å; V292-F294 HydrophobicContact CB-CE2 4.13Å; V292-F294 HydrophobicContact CG1-CD2 4.16Å; V292-F294 HydrophobicContact CG1-CE2 3.97Å; V292-F294 WeakPolarHBondContact O-CD2 3.37Å; V292-F305 HydrophobicContact CG1-CD2 3.84Å; V292-F305 HydrophobicContact CG1-CE2 4.09Å; V292-E322 HydrophobicContact CB-CB 3.94Å; V292-E322 HydrophobicContact CG2-CB 3.96Å; V292-E322 WeakPolarHBondContact CG2-O 3.44Å; V292-E322 PolarHBondContact N-OE2 3.1Å
293	D	98.3	Very high	98.2	Very high	94 Å²	94	43 Å²	43	50%	0.503	22%	0.218	S	C	.	.			trans	-75.7	127.1	171.5	-175.7	22.5	0	0	0	111.2	G295 R296	D293-G295 PolarHBondContact OD1-N 2.86Å; D293-R296 PolarHBondContact O-NE 2.92Å
294	F	98.6	Very high	98.2	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.226	C	C	.	.			trans	-103.6	-6	178.6	-84.3	-122.6	0	0	0	112	Q285 R287 V292 R296 Y301 F305 E322 W324 N444	Q285-F294 HydrophobicContact CG-CE1 4.22Å; R287-F294 VanDerWaalsContact CD-CE2 3.49Å; V292-F294 HydrophobicContact CB-CD2 4.47Å; V292-F294 HydrophobicContact CB-CE2 4.13Å; V292-F294 HydrophobicContact CG1-CD2 4.16Å; V292-F294 HydrophobicContact CG1-CE2 3.97Å; V292-F294 WeakPolarHBondContact O-CD2 3.37Å; F294-R296 PolarHBondContact O-N 2.66Å; F294-Y301 WeakPolarHBondContact O-CE2 3.44Å; F294-Y301 PolarHBondContact O-OH 3.31Å; F294-F305 HydrophobicContact CB-CE2 4.45Å; F294-F305 HydrophobicContact CB-CZ 4.36Å; F294-F305 HydrophobicContact CD1-CE2 4.03Å; F294-F305 AromaticContact CD1-CZ 3.84Å; F294-F305 HydrophobicContact CD1-CZ 3.84Å; F294-F305 AromaticContact CD2-CE2 3.67Å; F294-F305 HydrophobicContact CD2-CE2 3.67Å; F294-F305 HydrophobicContact CD2-CZ 4.27Å; F294-F305 HydrophobicContact CE1-CE2 4.17Å; F294-F305 HydrophobicContact CE1-CZ 4.16Å; F294-F305 AromaticContact CE2-CE2 3.83Å; F294-F305 HydrophobicContact CE2-CE2 3.83Å; F294-F305 AromaticContact CG-CE2 3.79Å; F294-F305 HydrophobicContact CG-CE2 3.79Å; F294-F305 AromaticContact CG-CZ 3.91Å; F294-F305 HydrophobicContact CG-CZ 3.91Å; F294-F305 HydrophobicContact CZ-CE2 4.08Å; F294-E322 HydrophobicContact CE2-CB 4.4Å; F294-W324 HydrophobicContact CE1-CB 4.43Å; F294-N444 VanDerWaalsContact CB-O 3.3Å; F294-N444 WeakPolarHBondContact CB-O 3.31Å; F294-N444 HydrophobicContact CD1-CB 3.93Å
295	G	98	Very high	98.2	Very high	24 Å²	24	44.7 Å²	44.7	25%	0.247	23%	0.231	C	C	.	.			trans	-73.5	65.7	172.2	0	0	0	0	0	112	D293 Y409	D293-G295 PolarHBondContact OD1-N 2.86Å; G295-Y409 WeakPolarHBondContact O-CE1 3.43Å
296	R	98.4	Very high	98.1	Very high	79 Å²	79	46.3 Å²	46.3	30%	0.298	25%	0.248	S	C	.	.			trans	-114.9	162	-170.6	-61	-159.5	-178.5	-111.5	-5.4	114.3	D293 F294 D300 Y301 F305 Y409	D293-R296 PolarHBondContact O-NE 2.92Å; F294-R296 PolarHBondContact O-N 2.66Å; R296-D300 HydrophobicContact CB-CB 3.83Å; R296-Y301 HydrophobicContact CB-CD2 4.14Å; R296-Y301 HydrophobicContact CB-CE2 4.01Å; R296-F305 HydrophobicContact CB-CE1 4.37Å; R296-F305 HydrophobicContact CG-CE1 4.43Å; R296-F305 HydrophobicContact CG-CZ 4.42Å; R296-Y409 WeakPolarHBondContact O-CD1 3.46Å; R296-Y409 WeakPolarHBondContact O-CE1 3.32Å
297	R	98.5	Very high	98.1	Very high	134 Å²	134	48.4 Å²	48.4	51%	0.506	26%	0.259	S	S	.	.			trans	-70.6	163.2	179.5	-67.5	-172.1	179.8	-123.3	3.1	111.8	D299 D300 Y301 Y409 D410	R297-D299 PolarHBondContact O-N 3.19Å; R297-D300 PolarHBondContact O-N 3.09Å; R297-D300 VanDerWaalsContact O-N 3.12Å; R297-Y301 PolarHBondContact O-N 3.42Å; R297-Y409 HydrophobicContact CG-CE1 4.01Å; R297-Y409 HydrophobicContact CG-CE2 3.99Å; R297-Y409 VanDerWaalsContact CG-CZ 3.4Å; R297-Y409 WeakPolarHBondContact CG-OH 3.14Å; R297-Y409 PolarHBondContact NE-OH 2.92Å; R297-Y409 VanDerWaalsContact NE-OH 3.16Å; R297-D410 WeakPolarHBondContact CA-OD1 3.36Å; R297-D410 VanDerWaalsContact CB-OD2 3.3Å; R297-D410 WeakPolarHBondContact CB-OD2 3.41Å
298	W	98.6	Very high	98	Very high	11 Å²	11	49.9 Å²	49.9	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-46.7	-48.6	175	-179.9	-100.1	0	0	0	112.3	D300 Y301 R302 E365 N368 Y369 F406 T408 D410 R411	W298-D300 VanDerWaalsContact C-N 3.29Å; W298-D300 PolarHBondContact O-N 3.36Å; W298-Y301 PolarHBondContact O-N 3.28Å; W298-R302 WeakPolarHBondContact O-CB 3.32Å; W298-R302 PolarHBondContact O-N 3Å; W298-E365 HydrophobicContact CZ2-CG 4.26Å; W298-E365 PolarHBondContact NE1-OE1 2.95Å; W298-N368 HydrophobicContact CH2-CB 4.35Å; W298-Y369 AromaticContact CE2-CE2 3.85Å; W298-Y369 AromaticContact CH2-CD2 3.55Å; W298-Y369 HydrophobicContact CH2-CD2 3.55Å; W298-Y369 AromaticContact CH2-CE2 3.89Å; W298-Y369 HydrophobicContact CH2-CE2 3.89Å; W298-Y369 AromaticContact CZ2-CD2 3.48Å; W298-Y369 HydrophobicContact CZ2-CD2 3.48Å; W298-Y369 VanDerWaalsContact CZ2-CD2 3.48Å; W298-Y369 AromaticContact CZ2-CE2 3.31Å; W298-Y369 HydrophobicContact CZ2-CE2 3.31Å; W298-Y369 HydrophobicContact CZ3-CD2 4.46Å; W298-F406 HydrophobicContact CE3-CD1 4.29Å; W298-F406 HydrophobicContact CH2-CB 4.32Å; W298-F406 HydrophobicContact CZ3-CB 4.17Å; W298-F406 AromaticContact CZ3-CD1 3.84Å; W298-F406 HydrophobicContact CZ3-CD1 3.84Å; W298-F406 HydrophobicContact CZ3-CG 4.5Å; W298-F406 VanDerWaalsContact CZ3-O 3.27Å; W298-F406 WeakPolarHBondContact CZ3-O 3.48Å; W298-T408 VanDerWaalsContact CA-OG1 3.3Å; W298-T408 WeakPolarHBondContact CA-OG1 3.42Å; W298-T408 WeakPolarHBondContact CB-OG1 3.47Å; W298-T408 HydrophobicContact CE3-CG2 4.17Å; W298-T408 PolarHBondContact N-OG1 2.93Å; W298-T408 VanDerWaalsContact N-OG1 3.13Å; W298-D410 PolarHBondContact N-OD1 3.36Å; W298-D410 PolarHBondContact N-OD2 3.09Å; W298-R411 HydrophobicContact CB-CB 4.28Å; W298-R411 HydrophobicContact CD2-CB 4.35Å; W298-R411 VanDerWaalsContact CD2-CD 3.43Å; W298-R411 HydrophobicContact CD2-CG 4.46Å; W298-R411 HydrophobicContact CE3-CB 3.97Å; W298-R411 HydrophobicContact CE3-CG 4.18Å; W298-R411 HydrophobicContact CG-CB 4.5Å; W298-R411 VanDerWaalsContact CZ2-NH1 3.31Å; W298-R411 HydrophobicContact CZ3-CG 4.43Å
299	D	98.6	Very high	97.9	Very high	62 Å²	62	47.4 Å²	47.4	33%	0.332	26%	0.255	S	S	.	.	H	α-helix	trans	-65.6	-31.8	-173.2	-116.6	24.6	0	0	0	113.3	R297 R302 R303	R297-D299 PolarHBondContact O-N 3.19Å; D299-R302 IonicContact OD1-CZ 2.6Å; D299-R302 VanDerWaalsContact OD1-CZ 3.27Å; D299-R302 IonicContact OD1-NE 2.74Å; D299-R302 PolarHBondContact OD1-NE 3.29Å; D299-R302 IonicContact OD1-NH2 3.75Å; D299-R302 PolarHBondContact OD1-NH2 3.37Å; D299-R302 IonicContact OD2-NH2 2.85Å; D299-R303 VanDerWaalsContact CG-NH1 3.3Å; D299-R303 WeakPolarHBondContact O-CG 3.35Å; D299-R303 PolarHBondContact O-N 3.11Å; D299-R303 PolarHBondContact O-NE 3.26Å; D299-R303 PolarHBondContact O-NH2 2.96Å; D299-R303 IonicContact OD2-CZ 2.71Å; D299-R303 IonicContact OD2-NH1 3.71Å; D299-R303 PolarHBondContact OD2-NH1 2.7Å
300	D	98.6	Very high	97.8	Very high	44 Å²	44	47 Å²	47	24%	0.235	25%	0.25	C	C	.	.	H	α-helix	trans	-75.1	-41.8	175.3	-64.4	-33.9	0	0	0	110.9	R296 R297 W298 R302 R303 G304 F305	R296-D300 HydrophobicContact CB-CB 3.83Å; R297-D300 PolarHBondContact O-N 3.09Å; R297-D300 VanDerWaalsContact O-N 3.12Å; W298-D300 VanDerWaalsContact C-N 3.29Å; W298-D300 PolarHBondContact O-N 3.36Å; D300-R302 VanDerWaalsContact C-N 3.28Å; D300-R302 PolarHBondContact O-N 3.45Å; D300-R303 PolarHBondContact O-N 3.32Å; D300-R303 IonicContact OD1-NH2 3.64Å; D300-R303 PolarHBondContact OD1-NH2 2.99Å; D300-R303 VanDerWaalsContact OD1-NH2 3.07Å; D300-G304 CarbonylContact O-C 3.52Å; D300-G304 WeakPolarHBondContact O-CA 3.37Å; D300-G304 PolarHBondContact O-N 3.44Å; D300-F305 HydrophobicContact CB-CD1 4.25Å
301	Y	98.8	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-34	173.3	-90.5	-77.1	0	0	0	112.6	F294 R296 R297 W298 F305 W324 G326 N327 F406 T408 G432	F294-Y301 WeakPolarHBondContact O-CE2 3.44Å; F294-Y301 PolarHBondContact O-OH 3.31Å; R296-Y301 HydrophobicContact CB-CD2 4.14Å; R296-Y301 HydrophobicContact CB-CE2 4.01Å; R297-Y301 PolarHBondContact O-N 3.42Å; W298-Y301 PolarHBondContact O-N 3.28Å; Y301-F305 AromaticContact CD1-CE1 3.78Å; Y301-F305 HydrophobicContact CD1-CE1 3.78Å; Y301-F305 HydrophobicContact CD1-CZ 4.41Å; Y301-F305 HydrophobicContact CD2-CE1 4.07Å; Y301-F305 AromaticContact CE1-CE1 3.69Å; Y301-F305 HydrophobicContact CE1-CE1 3.69Å; Y301-F305 AromaticContact CE1-CZ 3.85Å; Y301-F305 HydrophobicContact CE1-CZ 3.85Å; Y301-F305 AromaticContact CE2-CE1 3.99Å; Y301-F305 HydrophobicContact CE2-CE1 3.99Å; Y301-F305 HydrophobicContact CE2-CZ 4.22Å; Y301-F305 AromaticContact CG-CE1 3.99Å; Y301-F305 HydrophobicContact CG-CE1 3.99Å; Y301-F305 AromaticContact CZ-CE1 3.81Å; Y301-F305 AromaticContact CZ-CZ 3.76Å; Y301-W324 AromaticContact CD1-CD1 3.6Å; Y301-W324 HydrophobicContact CD1-CD2 4.11Å; Y301-W324 AromaticContact CD1-CE2 3.93Å; Y301-W324 AromaticContact CD1-CG 3.93Å; Y301-W324 HydrophobicContact CD1-CG 3.93Å; Y301-W324 AromaticContact CD1-NE1 3.61Å; Y301-W324 HydrophobicContact CE1-CD2 4.12Å; Y301-W324 HydrophobicContact CE1-CG 4.07Å; Y301-W324 PolarHBondContact O-NE1 2.98Å; Y301-G326 CarbonylContact O-C 3.19Å; Y301-G326 WeakPolarHBondContact O-CA 3.12Å; Y301-N327 VanDerWaalsContact O-CG 3.31Å; Y301-N327 PolarHBondContact O-N 3.18Å; Y301-N327 PolarHBondContact O-OD1 3.49Å; Y301-F406 AromaticContact CD1-CE1 3.79Å; Y301-F406 HydrophobicContact CD1-CE1 3.79Å; Y301-F406 AromaticContact CD1-CZ 3.43Å; Y301-F406 HydrophobicContact CD1-CZ 3.43Å; Y301-F406 VanDerWaalsContact CD1-CZ 3.43Å; Y301-F406 HydrophobicContact CD2-CE1 4.35Å; Y301-F406 HydrophobicContact CE1-CE1 4.49Å; Y301-F406 AromaticContact CE1-CZ 3.88Å; Y301-F406 HydrophobicContact CE1-CZ 3.88Å; Y301-F406 AromaticContact CG-CE1 3.7Å; Y301-F406 HydrophobicContact CG-CE1 3.7Å; Y301-F406 AromaticContact CG-CZ 3.86Å; Y301-F406 HydrophobicContact CG-CZ 3.86Å; Y301-T408 HydrophobicContact CD2-CG2 3.58Å; Y301-T408 HydrophobicContact CE2-CG2 4.27Å; Y301-T408 HydrophobicContact CG-CG2 4.12Å; Y301-G432 VanDerWaalsContact CE2-CA 3.47Å; Y301-G432 VanDerWaalsContact CE2-N 3.28Å; Y301-G432 VanDerWaalsContact CZ-CA 3.47Å; Y301-G432 PolarHBondContact OH-N 3Å
302	R	98.6	Very high	96.1	Very high	66 Å²	66	48 Å²	48	25%	0.249	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-53.5	173	172.9	167.5	71.2	154.7	4.9	112.2	W298 D299 D300 G326 N327 D328 E365 Y369	W298-R302 WeakPolarHBondContact O-CB 3.32Å; W298-R302 PolarHBondContact O-N 3Å; D299-R302 IonicContact OD1-CZ 2.6Å; D299-R302 VanDerWaalsContact OD1-CZ 3.27Å; D299-R302 IonicContact OD1-NE 2.74Å; D299-R302 PolarHBondContact OD1-NE 3.29Å; D299-R302 IonicContact OD1-NH2 3.75Å; D299-R302 PolarHBondContact OD1-NH2 3.37Å; D299-R302 IonicContact OD2-NH2 2.85Å; D300-R302 VanDerWaalsContact C-N 3.28Å; D300-R302 PolarHBondContact O-N 3.45Å; R302-G326 CarbonylContact O-C 3.54Å; R302-G326 WeakPolarHBondContact O-CA 3.48Å; R302-N327 PolarHBondContact O-N 3.2Å; R302-N327 VanDerWaalsContact O-N 3.08Å; R302-D328 WeakPolarHBondContact CG-OD2 3.43Å; R302-D328 PolarHBondContact O-N 3.47Å; R302-E365 VanDerWaalsContact CD-OE2 3.26Å; R302-E365 WeakPolarHBondContact CD-OE2 3.33Å; R302-E365 IonicContact CZ-OE2 2.87Å; R302-E365 IonicContact NE-OE1 3.8Å; R302-E365 IonicContact NE-OE2 3.86Å; R302-E365 IonicContact NH1-OE1 2.74Å; R302-E365 IonicContact NH1-OE2 3.22Å; R302-E365 PolarHBondContact NH1-OE2 3.04Å; R302-Y369 WeakPolarHBondContact CD-OH 3.3Å; R302-Y369 WeakPolarHBondContact CG-OH 3.5Å
303	R	98.3	Very high	94.6	Very high	119 Å²	119	52.4 Å²	52.4	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-79.3	-27.6	-175.9	-67.5	-176.4	-64.3	-94.4	-3	114.2	D299 D300 R329	D299-R303 VanDerWaalsContact CG-NH1 3.3Å; D299-R303 WeakPolarHBondContact O-CG 3.35Å; D299-R303 PolarHBondContact O-N 3.11Å; D299-R303 PolarHBondContact O-NE 3.26Å; D299-R303 PolarHBondContact O-NH2 2.96Å; D299-R303 IonicContact OD2-CZ 2.71Å; D299-R303 IonicContact OD2-NH1 3.71Å; D299-R303 PolarHBondContact OD2-NH1 2.7Å; D300-R303 PolarHBondContact O-N 3.32Å; D300-R303 IonicContact OD1-NH2 3.64Å; D300-R303 PolarHBondContact OD1-NH2 2.99Å; D300-R303 VanDerWaalsContact OD1-NH2 3.07Å; R303-R329 PolarHBondContact O-NH1 3.5Å
304	G	98.5	Very high	92.8	Very high	22 Å²	22	54.1 Å²	54.1	23%	0.227	29%	0.289	C	S	.	.			trans	92.4	155	-170	0	0	0	0	0	112.9	D300 W324 G326	D300-G304 CarbonylContact O-C 3.52Å; D300-G304 WeakPolarHBondContact O-CA 3.37Å; D300-G304 PolarHBondContact O-N 3.44Å; G304-W324 CarbonylContact C-O 3.58Å; G304-W324 WeakPolarHBondContact CA-O 3.39Å; G304-G326 VanDerWaalsContact CA-CA 3.46Å; G304-G326 VanDerWaalsContact N-CA 3.35Å
305	F	98.8	Very high	91.6	Very high	22 Å²	22	64.6 Å²	64.6	10%	0.096	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	166.7	-176.4	61.4	-95.4	0	0	0	111.3	V292 F294 R296 D300 Y301 Y323 W324	V292-F305 HydrophobicContact CG1-CD2 3.84Å; V292-F305 HydrophobicContact CG1-CE2 4.09Å; F294-F305 HydrophobicContact CB-CE2 4.45Å; F294-F305 HydrophobicContact CB-CZ 4.36Å; F294-F305 HydrophobicContact CD1-CE2 4.03Å; F294-F305 AromaticContact CD1-CZ 3.84Å; F294-F305 HydrophobicContact CD1-CZ 3.84Å; F294-F305 AromaticContact CD2-CE2 3.67Å; F294-F305 HydrophobicContact CD2-CE2 3.67Å; F294-F305 HydrophobicContact CD2-CZ 4.27Å; F294-F305 HydrophobicContact CE1-CE2 4.17Å; F294-F305 HydrophobicContact CE1-CZ 4.16Å; F294-F305 AromaticContact CE2-CE2 3.83Å; F294-F305 HydrophobicContact CE2-CE2 3.83Å; F294-F305 AromaticContact CG-CE2 3.79Å; F294-F305 HydrophobicContact CG-CE2 3.79Å; F294-F305 AromaticContact CG-CZ 3.91Å; F294-F305 HydrophobicContact CG-CZ 3.91Å; F294-F305 HydrophobicContact CZ-CE2 4.08Å; R296-F305 HydrophobicContact CB-CE1 4.37Å; R296-F305 HydrophobicContact CG-CE1 4.43Å; R296-F305 HydrophobicContact CG-CZ 4.42Å; D300-F305 HydrophobicContact CB-CD1 4.25Å; Y301-F305 AromaticContact CD1-CE1 3.78Å; Y301-F305 HydrophobicContact CD1-CE1 3.78Å; Y301-F305 HydrophobicContact CD1-CZ 4.41Å; Y301-F305 HydrophobicContact CD2-CE1 4.07Å; Y301-F305 AromaticContact CE1-CE1 3.69Å; Y301-F305 HydrophobicContact CE1-CE1 3.69Å; Y301-F305 AromaticContact CE1-CZ 3.85Å; Y301-F305 HydrophobicContact CE1-CZ 3.85Å; Y301-F305 AromaticContact CE2-CE1 3.99Å; Y301-F305 HydrophobicContact CE2-CE1 3.99Å; Y301-F305 HydrophobicContact CE2-CZ 4.22Å; Y301-F305 AromaticContact CG-CE1 3.99Å; Y301-F305 HydrophobicContact CG-CE1 3.99Å; Y301-F305 AromaticContact CZ-CE1 3.81Å; Y301-F305 AromaticContact CZ-CZ 3.76Å; F305-Y323 CarbonylContact O-C 3.55Å; F305-Y323 VanDerWaalsContact O-CA 3.25Å; F305-Y323 WeakPolarHBondContact O-CA 3.06Å; F305-Y323 WeakPolarHBondContact O-CB 2.95Å; F305-W324 HydrophobicContact CD1-CB 4.03Å; F305-W324 HydrophobicContact CE1-CB 3.62Å; F305-W324 HydrophobicContact CE1-CG 4.13Å; F305-W324 HydrophobicContact CE2-CB 4.16Å; F305-W324 HydrophobicContact CG-CB 4.49Å; F305-W324 HydrophobicContact CZ-CB 3.69Å; F305-W324 HydrophobicContact CZ-CG 4.48Å; F305-W324 PolarHBondContact N-O 3.04Å; F305-W324 PolarHBondContact O-N 3.49Å
306	G	97.8	Very high	90.9	Very high	35 Å²	35	67.6 Å²	67.6	36%	0.361	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.5	-171.1	178.8	0	0	0	0	0	113.5	E322	G306-E322 CarbonylContact C-O 3.59Å; G306-E322 WeakPolarHBondContact CA-O 3.32Å
307	N	97	Very high	90.6	Very high	57 Å²	57	63.9 Å²	63.9	31%	0.305	32%	0.321	S	S	.	.			trans	-107.9	115.5	-173.6	-63.3	-62.1	0	0	0	109.7	A309 F310 G321 E322 Y323	N307-A309 PolarHBondContact O-N 3.42Å; N307-F310 HydrophobicContact CB-CE1 3.84Å; N307-F310 HydrophobicContact CB-CE2 4.1Å; N307-F310 HydrophobicContact CB-CZ 3.41Å; N307-F310 VanDerWaalsContact CB-CZ 3.41Å; N307-G321 CarbonylContact O-C 3.53Å; N307-G321 WeakPolarHBondContact O-CA 3.3Å; N307-E322 PolarHBondContact N-O 3.09Å; N307-Y323 WeakPolarHBondContact O-CD1 3.33Å
308	I	96.9	Very high	90.3	Very high	37 Å²	37	59.8 Å²	59.8	19%	0.19	31%	0.307	C	S	.	.	S	Bend	trans	-64.6	-45.1	-176.4	-65.8	164.1	0	0	0	111.2	M256 K269 F271 G321 Y323	M256-I308 HydrophobicContact CG-CG2 4.08Å; K269-I308 HydrophobicContact CB-CD1 3.54Å; K269-I308 VanDerWaalsContact O-CD1 3.3Å; K269-I308 WeakPolarHBondContact O-CD1 3.28Å; F271-I308 HydrophobicContact CB-CG2 4.1Å; I308-G321 PolarHBondContact O-N 3.14Å; I308-G321 VanDerWaalsContact O-N 3.1Å; I308-Y323 HydrophobicContact CG1-CD2 4.25Å; I308-Y323 HydrophobicContact CG1-CE2 4.32Å; I308-Y323 HydrophobicContact CG1-CG 4.42Å; I308-Y323 HydrophobicContact CG2-CE1 4.45Å
309	A	95.7	Very high	90.1	Very high	5 Å²	5	61.9 Å²	61.9	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	156.3	-175.8	0	0	0	0	0	112.9	M256 F271 N307 C317 T319	M256-A309 HydrophobicContact CB-CB 3.85Å; M256-A309 HydrophobicContact CG-CB 4.49Å; F271-A309 HydrophobicContact CD2-CB 3.98Å; F271-A309 HydrophobicContact CE2-CB 4.49Å; N307-A309 PolarHBondContact O-N 3.42Å; A309-C317 HydrophobicContact CB-CB 3.6Å; A309-T319 CarbonylContact C-O 3.48Å; A309-T319 WeakPolarHBondContact CA-O 3.22Å; A309-T319 WeakPolarHBondContact CB-O 3.42Å
310	F	92.8	Very high	90	Very high	65 Å²	65	60.7 Å²	60.7	29%	0.285	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.8	175.4	-58.2	-72	0	0	0	110.9	N307 C317 E318 T319 G321	N307-F310 HydrophobicContact CB-CE1 3.84Å; N307-F310 HydrophobicContact CB-CE2 4.1Å; N307-F310 HydrophobicContact CB-CZ 3.41Å; N307-F310 VanDerWaalsContact CB-CZ 3.41Å; F310-C317 CarbonylContact O-C 3.55Å; F310-C317 WeakPolarHBondContact O-CA 3.19Å; F310-E318 PolarHBondContact O-N 3.11Å; F310-T319 PolarHBondContact N-O 3.21Å; F310-T319 PolarHBondContact O-N 3.43Å; F310-G321 VanDerWaalsContact CE2-CA 3.43Å
311	A	88.2	Confident	89.9	Confident	54 Å²	54	58.6 Å²	58.6	45%	0.446	31%	0.306	S	S	.	.			trans	-79.7	128.2	174.6	0	0	0	0	0	109.9
312	S	70.1	Confident	89.9	Confident	66 Å²	66	58.6 Å²	58.6	46%	0.462	31%	0.306	S	S	.	.			trans	-107.9	-15.6	-173.4	131.3	0	0	0	0	115.1	E318 T319	S312-E318 PolarHBondContact OG-OE1 3.43Å; S312-E318 VanDerWaalsContact OG-OE1 3.09Å; S312-T319 WeakPolarHBondContact CB-OG1 3.37Å
313	S	67.8	Low	89.9	Confident	103 Å²	103	55.6 Å²	55.6	72%	0.72	30%	0.295	S	S	*	.	S	Bend	trans	170	-27.5	173.9	50.1	0	0	0	0	111.8	E318	S313-E318 PolarHBondContact OG-OE1 2.91Å
314	K	60	Low	89.9	Confident	131 Å²	131	50 Å²	50	57%	0.57	27%	0.274	S	S	*	.	S	Bend	trans	-94.2	166.3	179.8	-61.6	175.7	-161.7	141	0	111.2	F316 E318	K314-F316 PolarHBondContact O-N 3.4Å; K314-E318 IonicContact NZ-OE2 2.72Å; K314-E318 PolarHBondContact NZ-OE2 3.44Å
315	R	73.8	Confident	89.9	Confident	221 Å²	221	49 Å²	49	83%	0.834	26%	0.263	S	S	*	.	S	Bend	trans	-62.6	16.9	173.6	-75.3	-175.8	-178.9	161.6	0.2	114.3	P234	P234-R315 WeakPolarHBondContact CD-O 3.36Å; P234-R315 WeakPolarHBondContact CG-O 3.48Å
316	F	83.2	Confident	89.9	Confident	86 Å²	86	48 Å²	48	38%	0.377	26%	0.259	S	S	.	.	S	Bend	trans	-138.4	159.5	-178.4	-57.9	-73.4	0	0	0	111.2	P234 K314 E318	P234-F316 HydrophobicContact CB-CD1 4.5Å; K314-F316 PolarHBondContact O-N 3.4Å; F316-E318 PolarHBondContact O-N 2.88Å
317	C	91.6	Very high	90	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	24%	0.242	C	C	.	.			trans	-95	88.5	179.4	-70.4	0	0	0	0	110.7	C233 Q255 M256 A309 F310	C233-C317 WeakPolarHBondContact CA-SG 3.34Å; C233-C317 HydrophobicContact CB-CB 3.78Å; C233-C317 WeakPolarHBondContact CB-SG 3.47Å; C233-C317 WeakPolarHBondContact SG-CB 3.24Å; C233-C317 CovalentContact SG-SG 2.02Å; C233-C317 PolarHBondContact SG-SG 3.33Å; Q255-C317 CarbonylContact C-O 3.59Å; Q255-C317 WeakPolarHBondContact CA-O 3.08Å; Q255-C317 WeakPolarHBondContact CB-O 3.48Å; M256-C317 HydrophobicContact CB-CB 4.16Å; M256-C317 PolarHBondContact N-O 2.98Å; A309-C317 HydrophobicContact CB-CB 3.6Å; F310-C317 CarbonylContact O-C 3.55Å; F310-C317 WeakPolarHBondContact O-CA 3.19Å
318	E	92.8	Very high	90	Very high	47 Å²	47	47 Å²	47	22%	0.22	25%	0.245	C	C	.	.			trans	-92	-13	-175.1	66.6	-165.6	145.6	0	0	113.7	F271 F310 S312 S313 K314 F316	F271-E318 WeakPolarHBondContact CE2-O 3.32Å; F271-E318 WeakPolarHBondContact CZ-O 3.37Å; F310-E318 PolarHBondContact O-N 3.11Å; S312-E318 PolarHBondContact OG-OE1 3.43Å; S312-E318 VanDerWaalsContact OG-OE1 3.09Å; S313-E318 PolarHBondContact OG-OE1 2.91Å; K314-E318 IonicContact NZ-OE2 2.72Å; K314-E318 PolarHBondContact NZ-OE2 3.44Å; F316-E318 PolarHBondContact O-N 2.88Å
319	T	94.3	Very high	90.1	Very high	56 Å²	56	49.4 Å²	49.4	34%	0.344	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.1	178.7	-51.7	0	0	0	0	110.1	A309 F310 S312	A309-T319 CarbonylContact C-O 3.48Å; A309-T319 WeakPolarHBondContact CA-O 3.22Å; A309-T319 WeakPolarHBondContact CB-O 3.42Å; F310-T319 PolarHBondContact N-O 3.21Å; F310-T319 PolarHBondContact O-N 3.43Å; S312-T319 WeakPolarHBondContact CB-OG1 3.37Å
320	P	96.1	Very high	90.2	Very high	37 Å²	37	49.2 Å²	49.2	24%	0.24	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.5	175.3	30.2	-33.3	0	0	0	110.1	F271 L283	F271-P320 HydrophobicContact CD1-CB 4.07Å; F271-P320 HydrophobicContact CD2-CB 3.81Å; F271-P320 HydrophobicContact CE1-CB 4.12Å; F271-P320 HydrophobicContact CE1-CG 4.28Å; F271-P320 HydrophobicContact CE2-CB 3.87Å; F271-P320 HydrophobicContact CE2-CG 4.31Å; F271-P320 HydrophobicContact CG-CB 3.92Å; F271-P320 HydrophobicContact CZ-CB 4.03Å; F271-P320 HydrophobicContact CZ-CG 4.09Å; L283-P320 HydrophobicContact CD2-CB 3.76Å
321	G	96.9	Very high	90.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.			trans	-95.5	-175.8	170.6	0	0	0	0	0	112.1	N286 N307 I308 F310 Y323	N286-G321 WeakPolarHBondContact CB-O 3.27Å; N286-G321 PolarHBondContact ND2-O 3.5Å; N307-G321 CarbonylContact O-C 3.53Å; N307-G321 WeakPolarHBondContact O-CA 3.3Å; I308-G321 PolarHBondContact O-N 3.14Å; I308-G321 VanDerWaalsContact O-N 3.1Å; F310-G321 VanDerWaalsContact CE2-CA 3.43Å; G321-Y323 WeakPolarHBondContact O-CD1 3.39Å
322	E	98.6	Very high	90.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-83.9	125.6	170.1	-62	-163.5	146.6	0	0	110.8	N286 R287 L288 D289 G290 S291 V292 F294 G306 N307	N286-E322 VanDerWaalsContact O-CA 3.27Å; N286-E322 WeakPolarHBondContact O-CA 3.28Å; R287-E322 WeakPolarHBondContact CA-OE1 3.09Å; R287-E322 IonicContact CZ-OE2 2.97Å; R287-E322 IonicContact NH1-OE1 3.88Å; R287-E322 IonicContact NH1-OE2 3.16Å; R287-E322 PolarHBondContact NH1-OE2 2.93Å; L288-E322 HydrophobicContact CD2-CG 3.75Å; L288-E322 HydrophobicContact CG-CG 3.93Å; L288-E322 PolarHBondContact N-OE1 3.34Å; D289-E322 PolarHBondContact N-OE1 3.09Å; D289-E322 WeakPolarHBondContact OD1-CG 3.45Å; G290-E322 WeakPolarHBondContact CA-OE2 3.43Å; G290-E322 VanDerWaalsContact N-CD 3.31Å; G290-E322 PolarHBondContact N-OE1 3.36Å; G290-E322 PolarHBondContact N-OE2 3.39Å; S291-E322 PolarHBondContact N-OE2 3.19Å; S291-E322 VanDerWaalsContact N-OE2 3.07Å; V292-E322 HydrophobicContact CB-CB 3.94Å; V292-E322 HydrophobicContact CG2-CB 3.96Å; V292-E322 WeakPolarHBondContact CG2-O 3.44Å; V292-E322 PolarHBondContact N-OE2 3.1Å; F294-E322 HydrophobicContact CE2-CB 4.4Å; G306-E322 CarbonylContact C-O 3.59Å; G306-E322 WeakPolarHBondContact CA-O 3.32Å; N307-E322 PolarHBondContact N-O 3.09Å
323	Y	98.7	Very high	92.2	Very high	3 Å²	3	44 Å²	44	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	164.3	178.6	72.1	-81.7	0	0	0	112.5	F271 L283 Q285 N286 F305 N307 I308 G321 L325	F271-Y323 HydrophobicContact CB-CE1 4.45Å; F271-Y323 WeakPolarHBondContact CB-OH 3.34Å; F271-Y323 PolarHBondContact N-OH 3.3Å; L283-Y323 WeakPolarHBondContact CB-OH 3.44Å; L283-Y323 HydrophobicContact CD2-CE1 3.83Å; L283-Y323 HydrophobicContact CG-CE1 4.14Å; L283-Y323 PolarHBondContact O-OH 2.77Å; Q285-Y323 WeakPolarHBondContact CA-O 3.13Å; N286-Y323 HydrophobicContact CB-CD1 4.47Å; N286-Y323 HydrophobicContact CB-CE1 4.49Å; N286-Y323 PolarHBondContact N-O 3.42Å; N286-Y323 VanDerWaalsContact N-O 3.1Å; N286-Y323 PolarHBondContact O-N 3.09Å; F305-Y323 CarbonylContact O-C 3.55Å; F305-Y323 VanDerWaalsContact O-CA 3.25Å; F305-Y323 WeakPolarHBondContact O-CA 3.06Å; F305-Y323 WeakPolarHBondContact O-CB 2.95Å; N307-Y323 WeakPolarHBondContact O-CD1 3.33Å; I308-Y323 HydrophobicContact CG1-CD2 4.25Å; I308-Y323 HydrophobicContact CG1-CE2 4.32Å; I308-Y323 HydrophobicContact CG1-CG 4.42Å; I308-Y323 HydrophobicContact CG2-CE1 4.45Å; G321-Y323 WeakPolarHBondContact O-CD1 3.39Å; Y323-L325 HydrophobicContact CE2-CB 4.23Å; Y323-L325 HydrophobicContact CE2-CD1 4.4Å
324	W	98.9	Very high	93.5	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.6	164.4	-179.8	-103.1	0	0	0	108.2	Q285 F294 Y301 G304 F305 G326 N327 I330 F406 W433 W434	Q285-W324 HydrophobicContact CB-CE3 3.67Å; Q285-W324 HydrophobicContact CB-CZ3 3.72Å; Q285-W324 HydrophobicContact CG-CE3 3.5Å; Q285-W324 HydrophobicContact CG-CZ3 3.71Å; F294-W324 HydrophobicContact CE1-CB 4.43Å; Y301-W324 AromaticContact CD1-CD1 3.6Å; Y301-W324 HydrophobicContact CD1-CD2 4.11Å; Y301-W324 AromaticContact CD1-CE2 3.93Å; Y301-W324 AromaticContact CD1-CG 3.93Å; Y301-W324 HydrophobicContact CD1-CG 3.93Å; Y301-W324 AromaticContact CD1-NE1 3.61Å; Y301-W324 HydrophobicContact CE1-CD2 4.12Å; Y301-W324 HydrophobicContact CE1-CG 4.07Å; Y301-W324 PolarHBondContact O-NE1 2.98Å; G304-W324 CarbonylContact C-O 3.58Å; G304-W324 WeakPolarHBondContact CA-O 3.39Å; F305-W324 HydrophobicContact CD1-CB 4.03Å; F305-W324 HydrophobicContact CE1-CB 3.62Å; F305-W324 HydrophobicContact CE1-CG 4.13Å; F305-W324 HydrophobicContact CE2-CB 4.16Å; F305-W324 HydrophobicContact CG-CB 4.49Å; F305-W324 HydrophobicContact CZ-CB 3.69Å; F305-W324 HydrophobicContact CZ-CG 4.48Å; F305-W324 PolarHBondContact N-O 3.04Å; F305-W324 PolarHBondContact O-N 3.49Å; W324-G326 VanDerWaalsContact C-N 3.26Å; W324-G326 PolarHBondContact O-N 3.37Å; W324-N327 VanDerWaalsContact CE2-OD1 3.24Å; W324-N327 WeakPolarHBondContact CZ2-OD1 3.49Å; W324-N327 PolarHBondContact NE1-OD1 3.28Å; W324-I330 HydrophobicContact CD2-CD1 4.37Å; W324-I330 HydrophobicContact CH2-CD1 4.04Å; W324-I330 HydrophobicContact CZ2-CD1 3.53Å; W324-F406 HydrophobicContact CH2-CE2 4.49Å; W324-F406 HydrophobicContact CZ2-CE2 4.16Å; W324-F406 HydrophobicContact CZ2-CZ 4.41Å; W324-W433 HydrophobicContact CH2-CZ3 4.38Å; W324-W433 HydrophobicContact CZ3-CZ3 4.33Å; W324-W434 AromaticContact CH2-CH2 3.89Å; W324-W434 HydrophobicContact CH2-CH2 3.89Å; W324-W434 HydrophobicContact CH2-CZ3 4.29Å; W324-W434 HydrophobicContact CZ2-CH2 4.45Å
325	L	98.8	Very high	95.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	17%	0.169	C	C	.	.			trans	-63.7	-33	-171.7	-179.1	61.7	0	0	0	113.2	Y268 V270 V282 I284 Y323 R329 I330 L333	Y268-L325 HydrophobicContact CD2-CD1 4.28Å; Y268-L325 HydrophobicContact CE2-CD1 4.12Å; Y268-L325 HydrophobicContact CE2-CD2 4.43Å; V270-L325 HydrophobicContact CG1-CD1 3.81Å; V270-L325 HydrophobicContact CG1-CD2 4.34Å; V282-L325 HydrophobicContact CG1-CD2 4.41Å; I284-L325 HydrophobicContact CB-CB 4.31Å; I284-L325 HydrophobicContact CB-CD2 4.45Å; I284-L325 HydrophobicContact CG2-CD2 3.82Å; I284-L325 WeakPolarHBondContact O-CB 3.32Å; I284-L325 PolarHBondContact O-N 3.43Å; Y323-L325 HydrophobicContact CE2-CB 4.23Å; Y323-L325 HydrophobicContact CE2-CD1 4.4Å; L325-R329 HydrophobicContact CD2-CB 4.24Å; L325-R329 HydrophobicContact CG-CB 4.04Å; L325-R329 WeakPolarHBondContact O-CD 3.32Å; L325-R329 PolarHBondContact O-NH1 3.09Å; L325-R329 VanDerWaalsContact O-NH1 3.09Å; L325-I330 HydrophobicContact CB-CD1 4.33Å; L325-I330 HydrophobicContact CB-CG1 4.07Å; L325-I330 HydrophobicContact CD2-CG1 4.21Å; L325-I330 HydrophobicContact CG-CG1 4.43Å; L325-L333 HydrophobicContact CD2-CD1 3.81Å
326	G	98.6	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.			trans	116.5	129.9	-176.9	0	0	0	0	0	112.3	Y301 R302 G304 W324 D328 R329 I330	Y301-G326 CarbonylContact O-C 3.19Å; Y301-G326 WeakPolarHBondContact O-CA 3.12Å; R302-G326 CarbonylContact O-C 3.54Å; R302-G326 WeakPolarHBondContact O-CA 3.48Å; G304-G326 VanDerWaalsContact CA-CA 3.46Å; G304-G326 VanDerWaalsContact N-CA 3.35Å; W324-G326 VanDerWaalsContact C-N 3.26Å; W324-G326 PolarHBondContact O-N 3.37Å; G326-D328 VanDerWaalsContact C-N 3.28Å; G326-D328 PolarHBondContact O-N 3.05Å; G326-R329 PolarHBondContact O-N 3.42Å; G326-R329 VanDerWaalsContact O-N 3.09Å; G326-I330 VanDerWaalsContact O-CG1 3.29Å; G326-I330 WeakPolarHBondContact O-CG1 3.3Å; G326-I330 PolarHBondContact O-N 3.07Å
327	N	98.8	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59	-38	-173.4	-64.4	-9.2	0	0	0	112.6	Y301 R302 W324 R329 I330 S331 Y369 F406	Y301-N327 VanDerWaalsContact O-CG 3.31Å; Y301-N327 PolarHBondContact O-N 3.18Å; Y301-N327 PolarHBondContact O-OD1 3.49Å; R302-N327 PolarHBondContact O-N 3.2Å; R302-N327 VanDerWaalsContact O-N 3.08Å; W324-N327 VanDerWaalsContact CE2-OD1 3.24Å; W324-N327 WeakPolarHBondContact CZ2-OD1 3.49Å; W324-N327 PolarHBondContact NE1-OD1 3.28Å; N327-R329 VanDerWaalsContact C-N 3.34Å; N327-R329 PolarHBondContact O-N 3.46Å; N327-I330 PolarHBondContact O-N 2.71Å; N327-S331 VanDerWaalsContact O-CB 3.23Å; N327-S331 WeakPolarHBondContact O-CB 3.34Å; N327-S331 PolarHBondContact O-N 2.72Å; N327-Y369 HydrophobicContact CB-CD1 3.58Å; N327-Y369 HydrophobicContact CB-CD2 3.76Å; N327-Y369 HydrophobicContact CB-CE1 3.52Å; N327-Y369 HydrophobicContact CB-CE2 3.69Å; N327-Y369 HydrophobicContact CB-CG 3.71Å; N327-Y369 WeakPolarHBondContact ND2-CD2 3.44Å; N327-F406 WeakPolarHBondContact ND2-CD1 3.32Å; N327-F406 WeakPolarHBondContact ND2-CE1 3.21Å
328	D	98.1	Very high	96.7	Very high	70 Å²	70	32.4 Å²	32.4	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-62.3	-43.3	177.6	-73.7	-20.5	0	0	0	111.7	R302 G326 H332 Y369	R302-D328 WeakPolarHBondContact CG-OD2 3.43Å; R302-D328 PolarHBondContact O-N 3.47Å; G326-D328 VanDerWaalsContact C-N 3.28Å; G326-D328 PolarHBondContact O-N 3.05Å; D328-H332 WeakPolarHBondContact O-CB 3.41Å; D328-H332 PolarHBondContact O-N 2.85Å; D328-Y369 VanDerWaalsContact OD1-CE1 3.28Å; D328-Y369 WeakPolarHBondContact OD1-CE1 3.25Å; D328-Y369 PolarHBondContact OD1-OH 3.43Å
329	R	98.2	Very high	97	Very high	89 Å²	89	30.5 Å²	30.5	34%	0.336	17%	0.166	S	C	.	.	H	α-helix	trans	-68	-42.7	179	-69	174.2	179.9	154.5	-0.2	111.4	Y268 R303 L325 G326 N327 H332 L333	Y268-R329 HydrophobicContact CE1-CG 4.19Å; Y268-R329 HydrophobicContact CE2-CB 4.33Å; Y268-R329 HydrophobicContact CE2-CG 4.18Å; R303-R329 PolarHBondContact O-NH1 3.5Å; L325-R329 HydrophobicContact CD2-CB 4.24Å; L325-R329 HydrophobicContact CG-CB 4.04Å; L325-R329 WeakPolarHBondContact O-CD 3.32Å; L325-R329 PolarHBondContact O-NH1 3.09Å; L325-R329 VanDerWaalsContact O-NH1 3.09Å; G326-R329 PolarHBondContact O-N 3.42Å; G326-R329 VanDerWaalsContact O-N 3.09Å; N327-R329 VanDerWaalsContact C-N 3.34Å; N327-R329 PolarHBondContact O-N 3.46Å; R329-H332 PolarHBondContact O-N 3.37Å; R329-L333 WeakPolarHBondContact O-CB 3.35Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.48Å; R329-L333 PolarHBondContact O-N 2.95Å
330	I	98.6	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.7	-41.9	-179.7	-51	161.4	0	0	0	110.3	I284 W324 L325 G326 N327 H332 L333 S334 F360 I362 I485	I284-I330 HydrophobicContact CB-CD1 4.13Å; I284-I330 HydrophobicContact CB-CG1 4.06Å; I284-I330 HydrophobicContact CD1-CD1 4.36Å; I284-I330 HydrophobicContact CD1-CG2 3.75Å; I284-I330 HydrophobicContact CG2-CG1 4.15Å; I284-I330 HydrophobicContact CG2-CG2 4.36Å; W324-I330 HydrophobicContact CD2-CD1 4.37Å; W324-I330 HydrophobicContact CH2-CD1 4.04Å; W324-I330 HydrophobicContact CZ2-CD1 3.53Å; L325-I330 HydrophobicContact CB-CD1 4.33Å; L325-I330 HydrophobicContact CB-CG1 4.07Å; L325-I330 HydrophobicContact CD2-CG1 4.21Å; L325-I330 HydrophobicContact CG-CG1 4.43Å; G326-I330 VanDerWaalsContact O-CG1 3.29Å; G326-I330 WeakPolarHBondContact O-CG1 3.3Å; G326-I330 PolarHBondContact O-N 3.07Å; N327-I330 PolarHBondContact O-N 2.71Å; I330-H332 VanDerWaalsContact C-N 3.35Å; I330-H332 PolarHBondContact O-N 3.05Å; I330-L333 PolarHBondContact O-N 3.33Å; I330-S334 WeakPolarHBondContact O-CB 3.17Å; I330-S334 PolarHBondContact O-N 2.89Å; I330-S334 PolarHBondContact O-OG 2.99Å; I330-F360 HydrophobicContact CG2-CE1 3.94Å; I330-F360 HydrophobicContact CG2-CZ 4.44Å; I330-I362 HydrophobicContact CB-CD1 3.77Å; I330-I362 HydrophobicContact CG2-CD1 3.31Å; I330-I362 HydrophobicContact CG2-CG1 4.46Å; I330-I485 HydrophobicContact CG2-CD1 4.34Å
331	S	98.1	Very high	97.2	Very high	7 Å²	7	26.6 Å²	26.6	5%	0.049	14%	0.141	C	C	.	.	H	α-helix	trans	-54.3	-51.6	171.2	163	0	0	0	0	110.7	N327 S334 K335 I362 Q363	N327-S331 VanDerWaalsContact O-CB 3.23Å; N327-S331 WeakPolarHBondContact O-CB 3.34Å; N327-S331 PolarHBondContact O-N 2.72Å; S331-S334 PolarHBondContact O-N 2.91Å; S331-S334 PolarHBondContact O-OG 2.91Å; S331-K335 WeakPolarHBondContact O-CB 3.45Å; S331-K335 WeakPolarHBondContact O-CG 3.32Å; S331-K335 PolarHBondContact O-N 2.95Å; S331-K335 VanDerWaalsContact O-N 3.13Å; S331-I362 PolarHBondContact OG-O 3.06Å; S331-Q363 WeakPolarHBondContact CB-O 3.2Å; S331-Q363 PolarHBondContact OG-O 3.48Å
332	H	96.4	Very high	97.3	Very high	61 Å²	61	26.6 Å²	26.6	28%	0.282	14%	0.141	S	C	.	.	H	α-helix	trans	-57.6	-52.7	179	-169.4	113.1	0	0	0	112	D262 D328 R329 I330 S334 K335 M336	D262-H332 IonicContact OD2-CE1 2.76Å; D328-H332 WeakPolarHBondContact O-CB 3.41Å; D328-H332 PolarHBondContact O-N 2.85Å; R329-H332 PolarHBondContact O-N 3.37Å; I330-H332 VanDerWaalsContact C-N 3.35Å; I330-H332 PolarHBondContact O-N 3.05Å; H332-S334 VanDerWaalsContact C-N 3.33Å; H332-S334 PolarHBondContact O-N 3.33Å; H332-K335 PolarHBondContact O-N 3.48Å; H332-K335 VanDerWaalsContact O-N 3.13Å; H332-M336 PolarHBondContact O-N 3.45Å
333	L	97.6	Very high	97.3	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-45.5	179.8	-74.4	169.3	0	0	0	111.7	E242 I259 P261 Y268 V282 L325 R329 I330 K335 M336 I485	E242-L333 HydrophobicContact CB-CD2 4.07Å; I259-L333 HydrophobicContact CD1-CD2 4.17Å; P261-L333 HydrophobicContact CB-CD2 4.24Å; P261-L333 HydrophobicContact CG-CD2 3.66Å; P261-L333 HydrophobicContact CG-CG 4.45Å; Y268-L333 WeakPolarHBondContact OH-CD1 3.35Å; Y268-L333 WeakPolarHBondContact OH-CG 3.41Å; V282-L333 HydrophobicContact CG1-CD1 4.13Å; L325-L333 HydrophobicContact CD2-CD1 3.81Å; R329-L333 WeakPolarHBondContact O-CB 3.35Å; R329-L333 VanDerWaalsContact O-CG 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.48Å; R329-L333 PolarHBondContact O-N 2.95Å; I330-L333 PolarHBondContact O-N 3.33Å; L333-K335 PolarHBondContact O-N 3.22Å; L333-M336 HydrophobicContact CD2-SD 4.18Å; L333-M336 PolarHBondContact O-N 3.34Å; L333-I485 HydrophobicContact CB-CD1 3.75Å; L333-I485 HydrophobicContact CD1-CD1 4.12Å
334	S	96.6	Very high	97.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-68.1	-18.7	-179	75.9	0	0	0	0	114.1	I330 S331 H332 G337 T339 I362	I330-S334 WeakPolarHBondContact O-CB 3.17Å; I330-S334 PolarHBondContact O-N 2.89Å; I330-S334 PolarHBondContact O-OG 2.99Å; S331-S334 PolarHBondContact O-N 2.91Å; S331-S334 PolarHBondContact O-OG 2.91Å; H332-S334 VanDerWaalsContact C-N 3.33Å; H332-S334 PolarHBondContact O-N 3.33Å; S334-G337 VanDerWaalsContact O-O 3.14Å; S334-T339 PolarHBondContact O-OG1 3.2Å; S334-I362 PolarHBondContact OG-N 3.25Å
335	K	94.9	Very high	97.3	Very high	88 Å²	88	29.7 Å²	29.7	38%	0.383	16%	0.155	S	C	.	.	H	α-helix	trans	-95.3	-7.2	-179.8	-75.1	179.8	173.6	-174.8	0	114	S331 H332 L333 G337 T361 I362 Q363	S331-K335 WeakPolarHBondContact O-CB 3.45Å; S331-K335 WeakPolarHBondContact O-CG 3.32Å; S331-K335 PolarHBondContact O-N 2.95Å; S331-K335 VanDerWaalsContact O-N 3.13Å; H332-K335 PolarHBondContact O-N 3.48Å; H332-K335 VanDerWaalsContact O-N 3.13Å; L333-K335 PolarHBondContact O-N 3.22Å; K335-G337 PolarHBondContact O-N 3.08Å; K335-T361 HydrophobicContact CG-CG2 4.33Å; K335-I362 VanDerWaalsContact CE-O 3.24Å; K335-I362 WeakPolarHBondContact CE-O 3.23Å; K335-Q363 VanDerWaalsContact CE-OE1 3.25Å
336	M	92.8	Very high	97.3	Very high	82 Å²	82	31.9 Å²	31.9	40%	0.404	17%	0.166	S	C	.	.	S	Bend	trans	-64.8	-23.2	175	-72.2	176	51.6	0	0	113	K241 E242 P261 H332 L333	K241-M336 HydrophobicContact CB-CE 3.87Å; K241-M336 HydrophobicContact CD-CE 4.12Å; E242-M336 HydrophobicContact CG-CE 4.3Å; P261-M336 HydrophobicContact CB-SD 3.71Å; H332-M336 PolarHBondContact O-N 3.45Å; L333-M336 HydrophobicContact CD2-SD 4.18Å; L333-M336 PolarHBondContact O-N 3.34Å
337	G	91.8	Very high	97.3	Very high	33 Å²	33	31.9 Å²	31.9	34%	0.34	17%	0.166	S	C	.	.	S	Bend	trans	170.2	-174.8	179.5	0	0	0	0	0	111.1	S334 K335 T339	S334-G337 VanDerWaalsContact O-O 3.14Å; K335-G337 PolarHBondContact O-N 3.08Å; G337-T339 PolarHBondContact O-N 3.02Å; G337-T339 PolarHBondContact O-OG1 3.46Å
338	P	95.8	Very high	97.3	Very high	93 Å²	93	35.1 Å²	35.1	60%	0.604	18%	0.178	S	C	*	.			trans	-52.2	125.3	172.2	-23.6	34	0	0	0	110	P487 F488	P338-P487 CarbonylContact O-C 3.53Å; P338-P487 WeakPolarHBondContact O-CA 3.49Å; P338-F488 HydrophobicContact CB-CB 4.3Å; P338-F488 PolarHBondContact O-N 3.44Å
339	T	97.6	Very high	97.3	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.4	-173.3	-61.4	0	0	0	0	108.6	S334 G337 Q359 F360 I485 R486	S334-T339 PolarHBondContact O-OG1 3.2Å; G337-T339 PolarHBondContact O-N 3.02Å; G337-T339 PolarHBondContact O-OG1 3.46Å; T339-Q359 CarbonylContact O-C 3.56Å; T339-Q359 WeakPolarHBondContact O-CA 3.4Å; T339-F360 PolarHBondContact O-N 3.31Å; T339-I485 HydrophobicContact CG2-CB 3.81Å; T339-I485 HydrophobicContact CG2-CD1 4.34Å; T339-I485 HydrophobicContact CG2-CG1 4.49Å; T339-I485 HydrophobicContact CG2-CG2 4.32Å; T339-R486 WeakPolarHBondContact CA-O 3.43Å
340	E	97.9	Very high	97.2	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	151.7	170.1	58.6	174.7	158.5	0	0	110.6	W281 Q356 Y357 I485 R486 F488	W281-E340 HydrophobicContact CH2-CG 3.84Å; W281-E340 HydrophobicContact CZ3-CG 4.03Å; E340-Q356 PolarHBondContact OE2-NE2 3.42Å; E340-Y357 VanDerWaalsContact CA-O 3.26Å; E340-Y357 WeakPolarHBondContact CA-O 3.41Å; E340-Y357 WeakPolarHBondContact CB-O 2.93Å; E340-I485 WeakPolarHBondContact O-CA 3.28Å; E340-R486 HydrophobicContact CG-CB 4.21Å; E340-R486 WeakPolarHBondContact CG-O 3.5Å; E340-R486 PolarHBondContact N-O 2.88Å; E340-R486 PolarHBondContact O-N 3.46Å; E340-R486 IonicContact OE1-CZ 3.83Å; E340-R486 VanDerWaalsContact OE1-CZ 3.28Å; E340-R486 IonicContact OE1-NE 2.92Å; E340-R486 PolarHBondContact OE1-NE 2.8Å; E340-R486 IonicContact OE1-NH2 3.6Å; E340-R486 PolarHBondContact OE1-NH2 3.49Å; E340-F488 HydrophobicContact CB-CB 4.22Å; E340-F488 HydrophobicContact CB-CD2 4.32Å; E340-F488 HydrophobicContact CG-CB 4.33Å; E340-F488 HydrophobicContact CG-CD2 4.46Å
341	V	98.6	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.9	172.5	65.6	0	0	0	0	109.9	I343 Q356 Y357 F360 K484 I485	V341-I343 HydrophobicContact CG2-CG1 4.31Å; V341-Q356 CarbonylContact O-C 3.48Å; V341-Q356 VanDerWaalsContact O-CA 3.3Å; V341-Q356 WeakPolarHBondContact O-CA 3.15Å; V341-Y357 HydrophobicContact CG1-CD2 3.98Å; V341-Y357 HydrophobicContact CG1-CG 4.37Å; V341-Y357 PolarHBondContact N-O 2.89Å; V341-Y357 PolarHBondContact O-N 2.89Å; V341-F360 HydrophobicContact CB-CB 3.87Å; V341-F360 HydrophobicContact CB-CD1 4.14Å; V341-F360 HydrophobicContact CB-CD2 4.07Å; V341-F360 HydrophobicContact CB-CG 3.77Å; V341-F360 HydrophobicContact CG1-CB 3.69Å; V341-F360 HydrophobicContact CG1-CD2 3.68Å; V341-F360 HydrophobicContact CG1-CE2 4.44Å; V341-F360 HydrophobicContact CG1-CG 3.75Å; V341-K484 CarbonylContact C-O 3.51Å; V341-K484 WeakPolarHBondContact CA-O 3.39Å; V341-K484 WeakPolarHBondContact CG2-O 3.4Å; V341-I485 HydrophobicContact CB-CG2 3.89Å; V341-I485 HydrophobicContact CG2-CG2 3.81Å
342	L	98.7	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125	173.1	173.5	59.8	0	0	0	108.7	T276 Q277 W281 E344 Y354 Q356 K484	T276-L342 HydrophobicContact CG2-CD2 4.09Å; Q277-L342 HydrophobicContact CG-CD2 4.41Å; W281-L342 HydrophobicContact CE3-CB 4.21Å; W281-L342 HydrophobicContact CH2-CB 3.56Å; W281-L342 HydrophobicContact CH2-CD2 4.25Å; W281-L342 HydrophobicContact CZ2-CB 4.09Å; W281-L342 HydrophobicContact CZ2-CD2 3.9Å; W281-L342 HydrophobicContact CZ3-CB 3.62Å; L342-E344 HydrophobicContact CD1-CG 4.22Å; L342-E344 HydrophobicContact CD2-CG 4.33Å; L342-E344 HydrophobicContact CG-CG 4.03Å; L342-Y354 HydrophobicContact CD1-CD2 3.9Å; L342-Y354 HydrophobicContact CD1-CG 4.3Å; L342-Q356 HydrophobicContact CD1-CB 4.09Å; L342-Q356 HydrophobicContact CD1-CG 4.49Å; L342-K484 HydrophobicContact CB-CG 4.06Å; L342-K484 HydrophobicContact CG-CG 4.45Å; L342-K484 PolarHBondContact N-O 2.93Å; L342-K484 PolarHBondContact O-N 3.48Å
343	I	98.8	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.1	176.9	-51.5	177.7	0	0	0	107.5	V341 M345 Y354 A355 Y357 F384 W468 I481 S482 M483	V341-I343 HydrophobicContact CG2-CG1 4.31Å; I343-M345 HydrophobicContact CG2-CE 4.13Å; I343-M345 HydrophobicContact CG2-CG 4.38Å; I343-Y354 CarbonylContact O-C 3.53Å; I343-Y354 WeakPolarHBondContact O-CA 3.49Å; I343-Y354 WeakPolarHBondContact O-CB 3.12Å; I343-A355 HydrophobicContact CB-CB 4.4Å; I343-A355 PolarHBondContact N-O 3.23Å; I343-A355 PolarHBondContact O-N 3.44Å; I343-Y357 HydrophobicContact CD1-CE2 4.39Å; I343-F384 HydrophobicContact CD1-CE1 4.48Å; I343-F384 HydrophobicContact CD1-CE2 3.6Å; I343-F384 HydrophobicContact CD1-CZ 3.57Å; I343-W468 HydrophobicContact CD1-CH2 3.85Å; I343-W468 HydrophobicContact CD1-CZ3 4.06Å; I343-W468 HydrophobicContact CG2-CZ3 4.22Å; I343-I481 HydrophobicContact CG2-CD1 4.07Å; I343-I481 HydrophobicContact CG2-CG1 4.03Å; I343-S482 CarbonylContact C-O 3.56Å; I343-S482 VanDerWaalsContact CA-O 3.24Å; I343-S482 WeakPolarHBondContact CA-O 3.37Å; I343-M483 HydrophobicContact CD1-CE 4.15Å; I343-M483 HydrophobicContact CD1-CG 4.49Å; I343-M483 HydrophobicContact CG1-CE 4.45Å; I343-M483 HydrophobicContact CG1-CG 4.1Å; I343-M483 HydrophobicContact CG2-CG 4.27Å
344	E	98.7	Very high	97.4	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.299	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.1	177.9	-64.6	-178	129.5	0	0	110.1	L342 I481 S482 K484	L342-E344 HydrophobicContact CD1-CG 4.22Å; L342-E344 HydrophobicContact CD2-CG 4.33Å; L342-E344 HydrophobicContact CG-CG 4.03Å; E344-I481 CarbonylContact O-C 3.48Å; E344-I481 VanDerWaalsContact O-CA 3.28Å; E344-I481 WeakPolarHBondContact O-CA 3.33Å; E344-S482 PolarHBondContact N-O 3.36Å; E344-S482 PolarHBondContact O-N 2.88Å; E344-K484 VanDerWaalsContact CD-NZ 3.32Å; E344-K484 IonicContact OE1-NZ 2.73Å; E344-K484 WeakPolarHBondContact OE2-CE 3.31Å; E344-K484 IonicContact OE2-NZ 3.28Å; E344-K484 PolarHBondContact OE2-NZ 2.82Å
345	M	98.5	Very high	97.5	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.02	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.6	-172.9	-71.2	170.5	-86	0	0	110.6	I343 K352 V353 A355 A380 W468 W471 L478 A480 I481	I343-M345 HydrophobicContact CG2-CE 4.13Å; I343-M345 HydrophobicContact CG2-CG 4.38Å; M345-K352 VanDerWaalsContact O-CA 3.23Å; M345-K352 WeakPolarHBondContact O-CA 3.12Å; M345-V353 HydrophobicContact CB-CG2 3.94Å; M345-V353 HydrophobicContact CE-CG2 4.18Å; M345-V353 PolarHBondContact N-O 2.91Å; M345-V353 PolarHBondContact O-N 3.47Å; M345-A355 HydrophobicContact CE-CB 4.46Å; M345-A380 HydrophobicContact CE-CB 3.26Å; M345-W468 HydrophobicContact CE-CD2 3.7Å; M345-W468 HydrophobicContact CE-CE3 4.01Å; M345-W468 HydrophobicContact CE-CG 4.04Å; M345-W468 HydrophobicContact CE-CZ2 4.24Å; M345-W468 HydrophobicContact CE-CZ3 4.43Å; M345-W468 HydrophobicContact SD-CB 3.63Å; M345-W468 HydrophobicContact SD-CD2 3.47Å; M345-W468 HydrophobicContact SD-CE3 3.62Å; M345-W468 HydrophobicContact SD-CG 3.49Å; M345-W468 HydrophobicContact SD-CZ3 4.46Å; M345-W471 HydrophobicContact CB-CE3 4.33Å; M345-W471 HydrophobicContact CB-CZ3 3.87Å; M345-L478 HydrophobicContact CB-CD1 3.85Å; M345-L478 HydrophobicContact CG-CD1 3.61Å; M345-L478 HydrophobicContact SD-CD1 3.67Å; M345-A480 CarbonylContact C-O 3.47Å; M345-A480 WeakPolarHBondContact CA-O 3.33Å; M345-I481 HydrophobicContact CG-CB 4.17Å; M345-I481 HydrophobicContact CG-CD1 3.61Å; M345-I481 HydrophobicContact CG-CG1 3.65Å; M345-I481 HydrophobicContact SD-CD1 3.89Å
346	Q	98.6	Very high	97.6	Very high	48 Å²	48	42.3 Å²	42.3	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.7	175.8	-168.2	177.1	21	0	0	111	G350 A351 K352 K479 A480	Q346-G350 PolarHBondContact NE2-O 2.95Å; Q346-A351 VanDerWaalsContact CA-O 3.32Å; Q346-A351 WeakPolarHBondContact CA-O 3.4Å; Q346-K352 HydrophobicContact CB-CG 4.13Å; Q346-K352 HydrophobicContact CG-CG 3.86Å; Q346-K479 PolarHBondContact O-N 2.89Å; Q346-A480 HydrophobicContact CB-CB 4.01Å; Q346-A480 PolarHBondContact N-O 2.94Å; Q346-A480 PolarHBondContact O-N 3.21Å; Q346-A480 VanDerWaalsContact O-N 3.1Å
347	D	98.4	Very high	97.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.215	C	C	.	.			trans	-89.8	175.3	173.7	81.9	4.4	0	0	0	112	T349 G350 A351 W471 K472 Y476	D347-T349 VanDerWaalsContact CG-OG1 3.23Å; D347-T349 PolarHBondContact O-N 3.39Å; D347-T349 WeakPolarHBondContact OD1-CA 3.5Å; D347-T349 WeakPolarHBondContact OD1-CB 3.37Å; D347-T349 PolarHBondContact OD1-N 3.36Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 3.04Å; D347-T349 VanDerWaalsContact OD2-OG1 3.09Å; D347-G350 PolarHBondContact O-N 2.96Å; D347-G350 PolarHBondContact OD1-N 3.09Å; D347-A351 PolarHBondContact N-O 3.26Å; D347-A351 PolarHBondContact OD1-N 3.31Å; D347-W471 HydrophobicContact CB-CH2 3.55Å; D347-W471 HydrophobicContact CB-CZ2 4Å; D347-W471 HydrophobicContact CB-CZ3 4.24Å; D347-K472 WeakPolarHBondContact OD2-CE 3.31Å; D347-K472 IonicContact OD2-NZ 3.07Å; D347-K472 PolarHBondContact OD2-NZ 3.36Å; D347-Y476 HydrophobicContact CB-CE1 3.86Å; D347-Y476 WeakPolarHBondContact CB-OH 3.28Å
348	W	98.1	Very high	98.1	Very high	67 Å²	67	41 Å²	41	25%	0.254	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.7	-178.5	-66.9	82.1	0	0	0	114.1	Y447 Y448 M449 G450 G451 Y476 S477 K479	W348-Y447 HydrophobicContact CH2-CE1 4.02Å; W348-Y447 HydrophobicContact CZ2-CE1 4.03Å; W348-Y447 AromaticContact CZ2-CZ 3.91Å; W348-Y448 WeakPolarHBondContact CZ2-O 3.49Å; W348-M449 HydrophobicContact CH2-CB 4.33Å; W348-M449 HydrophobicContact CH2-CE 4.02Å; W348-M449 HydrophobicContact CH2-SD 3.66Å; W348-M449 HydrophobicContact CZ2-SD 4.49Å; W348-M449 HydrophobicContact CZ3-CE 4.28Å; W348-M449 HydrophobicContact CZ3-SD 4.49Å; W348-G450 VanDerWaalsContact CE2-N 3.34Å; W348-G450 VanDerWaalsContact CZ2-N 3.25Å; W348-G451 VanDerWaalsContact NE1-N 3.16Å; W348-Y476 AromaticContact CD1-CZ 3.88Å; W348-Y476 PolarHBondContact N-OH 3.35Å; W348-S477 PolarHBondContact NE1-O 3.36Å; W348-K479 HydrophobicContact CD2-CB 3.83Å; W348-K479 HydrophobicContact CD2-CD 4.31Å; W348-K479 HydrophobicContact CD2-CG 4.08Å; W348-K479 HydrophobicContact CE3-CB 4.4Å; W348-K479 HydrophobicContact CE3-CD 4.11Å; W348-K479 HydrophobicContact CE3-CG 4.15Å; W348-K479 HydrophobicContact CG-CB 3.99Å; W348-K479 HydrophobicContact CH2-CG 4.32Å; W348-K479 HydrophobicContact CZ2-CB 4.22Å; W348-K479 HydrophobicContact CZ2-CG 4.29Å; W348-K479 HydrophobicContact CZ3-CD 4.47Å; W348-K479 HydrophobicContact CZ3-CG 4.27Å
349	T	97.8	Very high	98.2	Very high	118 Å²	118	41.8 Å²	41.8	72%	0.724	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10	174	73.4	0	0	0	0	112.6	D347	D347-T349 VanDerWaalsContact CG-OG1 3.23Å; D347-T349 PolarHBondContact O-N 3.39Å; D347-T349 WeakPolarHBondContact OD1-CA 3.5Å; D347-T349 WeakPolarHBondContact OD1-CB 3.37Å; D347-T349 PolarHBondContact OD1-N 3.36Å; D347-T349 PolarHBondContact OD1-OG1 3.12Å; D347-T349 PolarHBondContact OD2-OG1 3.04Å; D347-T349 VanDerWaalsContact OD2-OG1 3.09Å
350	G	97.6	Very high	98.2	Very high	36 Å²	36	41.4 Å²	41.4	37%	0.371	21%	0.212	S	C	.	.	S	Bend	trans	97.8	-1.5	180	0	0	0	0	0	114.4	Q346 D347	Q346-G350 PolarHBondContact NE2-O 2.95Å; D347-G350 PolarHBondContact O-N 2.96Å; D347-G350 PolarHBondContact OD1-N 3.09Å
351	A	98.4	Very high	98.2	Very high	45 Å²	45	43 Å²	43	37%	0.372	22%	0.222	S	C	.	.			trans	-66.6	140.5	176.3	0	0	0	0	0	110.3	Q346 D347 W471	Q346-A351 VanDerWaalsContact CA-O 3.32Å; Q346-A351 WeakPolarHBondContact CA-O 3.4Å; D347-A351 PolarHBondContact N-O 3.26Å; D347-A351 PolarHBondContact OD1-N 3.31Å; A351-W471 HydrophobicContact CB-CZ2 4.23Å; A351-W471 WeakPolarHBondContact O-CH2 3.41Å
352	K	98.3	Very high	98.2	Very high	148 Å²	148	43 Å²	43	64%	0.643	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	140	-176.4	-64.7	-177.7	179.9	-174.4	0	111.3	M345 Q346	M345-K352 VanDerWaalsContact O-CA 3.23Å; M345-K352 WeakPolarHBondContact O-CA 3.12Å; Q346-K352 HydrophobicContact CB-CG 4.13Å; Q346-K352 HydrophobicContact CG-CG 3.86Å
353	V	98.6	Very high	98.2	Very high	18 Å²	18	46.4 Å²	46.4	11%	0.109	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.1	173.5	-63.3	0	0	0	0	109.4	M345 N379 A380 W471	M345-V353 HydrophobicContact CB-CG2 3.94Å; M345-V353 HydrophobicContact CE-CG2 4.18Å; M345-V353 PolarHBondContact N-O 2.91Å; M345-V353 PolarHBondContact O-N 3.47Å; V353-N379 WeakPolarHBondContact CA-OD1 3.33Å; V353-N379 WeakPolarHBondContact CB-OD1 3.1Å; V353-A380 HydrophobicContact CB-CB 3.9Å; V353-A380 HydrophobicContact CG2-CB 3.58Å; V353-W471 HydrophobicContact CG1-CD2 4.2Å; V353-W471 HydrophobicContact CG1-CG 4.49Å; V353-W471 HydrophobicContact CG1-CZ2 3.98Å; V353-W471 HydrophobicContact CG2-CD2 3.48Å; V353-W471 VanDerWaalsContact CG2-CD2 3.48Å; V353-W471 HydrophobicContact CG2-CE3 3.45Å; V353-W471 VanDerWaalsContact CG2-CE3 3.45Å; V353-W471 HydrophobicContact CG2-CG 4.05Å; V353-W471 HydrophobicContact CG2-CH2 3.96Å; V353-W471 HydrophobicContact CG2-CZ2 4.03Å; V353-W471 HydrophobicContact CG2-CZ3 3.68Å
354	Y	98.6	Very high	98.1	Very high	89 Å²	89	49.1 Å²	49.1	35%	0.349	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.1	176.2	71.5	-81.4	0	0	0	112.3	L342 I343 Q356 G378 N379 A380	L342-Y354 HydrophobicContact CD1-CD2 3.9Å; L342-Y354 HydrophobicContact CD1-CG 4.3Å; I343-Y354 CarbonylContact O-C 3.53Å; I343-Y354 WeakPolarHBondContact O-CA 3.49Å; I343-Y354 WeakPolarHBondContact O-CB 3.12Å; Y354-Q356 HydrophobicContact CD2-CB 4.35Å; Y354-G378 VanDerWaalsContact CE2-CA 3.49Å; Y354-G378 CarbonylContact O-C 3.45Å; Y354-G378 WeakPolarHBondContact O-CA 3.48Å; Y354-N379 WeakPolarHBondContact CD1-OD1 3.4Å; Y354-N379 PolarHBondContact N-OD1 3.22Å; Y354-N379 PolarHBondContact O-N 3.36Å; Y354-N379 PolarHBondContact O-OD1 2.99Å; Y354-A380 WeakPolarHBondContact O-CB 3.41Å; Y354-A380 PolarHBondContact O-N 2.82Å; Y354-A380 VanDerWaalsContact O-N 3.07Å
355	A	98.6	Very high	98	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124	168.4	0	0	0	0	0	108.2	I343 M345 Y357 Y376 A380 W468	I343-A355 HydrophobicContact CB-CB 4.4Å; I343-A355 PolarHBondContact N-O 3.23Å; I343-A355 PolarHBondContact O-N 3.44Å; M345-A355 HydrophobicContact CE-CB 4.46Å; A355-Y357 HydrophobicContact CB-CE2 4.13Å; A355-Y376 HydrophobicContact CB-CE2 3.84Å; A355-A380 HydrophobicContact CB-CB 4.25Å; A355-W468 HydrophobicContact CB-CH2 4.18Å; A355-W468 HydrophobicContact CB-CZ2 3.8Å
356	Q	98.4	Very high	97.9	Very high	23 Å²	23	54.4 Å²	54.4	11%	0.107	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.2	-179.8	-174.4	167.6	-0.8	0	0	109.2	E340 V341 L342 Y354 Y376 S377	E340-Q356 PolarHBondContact OE2-NE2 3.42Å; V341-Q356 CarbonylContact O-C 3.48Å; V341-Q356 VanDerWaalsContact O-CA 3.3Å; V341-Q356 WeakPolarHBondContact O-CA 3.15Å; L342-Q356 HydrophobicContact CD1-CB 4.09Å; L342-Q356 HydrophobicContact CD1-CG 4.49Å; Y354-Q356 HydrophobicContact CD2-CB 4.35Å; Q356-Y376 CarbonylContact O-C 3.59Å; Q356-Y376 VanDerWaalsContact O-CA 3.28Å; Q356-Y376 WeakPolarHBondContact O-CA 3.34Å; Q356-S377 PolarHBondContact N-O 3.29Å; Q356-S377 PolarHBondContact O-N 3.36Å
357	Y	98.3	Very high	97.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.2	175.8	-58.9	-100.2	0	0	0	108.1	E340 V341 I343 A355 Q359 V373 N374 Y376 N382 F384 L385	E340-Y357 VanDerWaalsContact CA-O 3.26Å; E340-Y357 WeakPolarHBondContact CA-O 3.41Å; E340-Y357 WeakPolarHBondContact CB-O 2.93Å; V341-Y357 HydrophobicContact CG1-CD2 3.98Å; V341-Y357 HydrophobicContact CG1-CG 4.37Å; V341-Y357 PolarHBondContact N-O 2.89Å; V341-Y357 PolarHBondContact O-N 2.89Å; I343-Y357 HydrophobicContact CD1-CE2 4.39Å; A355-Y357 HydrophobicContact CB-CE2 4.13Å; Y357-Q359 PolarHBondContact O-N 3.04Å; Y357-V373 HydrophobicContact CD1-CB 3.87Å; Y357-V373 HydrophobicContact CD1-CG2 4.13Å; Y357-V373 HydrophobicContact CE1-CB 4.44Å; Y357-V373 HydrophobicContact CE1-CG2 4.21Å; Y357-V373 HydrophobicContact CG-CB 4.18Å; Y357-V373 HydrophobicContact CG-CG1 4.39Å; Y357-N374 CarbonylContact C-O 3.51Å; Y357-N374 WeakPolarHBondContact CB-O 3.49Å; Y357-Y376 HydrophobicContact CD1-CD2 4.31Å; Y357-Y376 AromaticContact CE1-CD2 3.71Å; Y357-Y376 HydrophobicContact CE1-CD2 3.71Å; Y357-Y376 HydrophobicContact CE1-CG 4.18Å; Y357-Y376 HydrophobicContact CE2-CD2 4.14Å; Y357-Y376 AromaticContact CZ-CD2 3.6Å; Y357-N382 WeakPolarHBondContact CE1-OD1 3.49Å; Y357-N382 PolarHBondContact OH-OD1 2.88Å; Y357-F384 HydrophobicContact CD2-CD2 4.43Å; Y357-F384 HydrophobicContact CE1-CB 4.02Å; Y357-F384 AromaticContact CE2-CD2 3.84Å; Y357-F384 HydrophobicContact CE2-CD2 3.84Å; Y357-F384 HydrophobicContact CE2-CE2 4.38Å; Y357-F384 HydrophobicContact CE2-CG 4.29Å; Y357-F384 AromaticContact CZ-CD2 3.91Å; Y357-F384 AromaticContact CZ-CG 3.95Å; Y357-F384 WeakPolarHBondContact OH-CB 3.39Å; Y357-F384 PolarHBondContact OH-N 3.48Å; Y357-L385 HydrophobicContact CD1-CD1 4.17Å; Y357-L385 HydrophobicContact CE1-CD1 3.96Å; Y357-L385 HydrophobicContact CE1-CG 4.14Å
358	Q	96.9	Very high	97.8	Very high	88 Å²	88	55.8 Å²	55.8	41%	0.411	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-23.4	-177.8	-67.8	176.2	-12.2	0	0	113.3	N374 G375 F488	Q358-N374 PolarHBondContact N-O 3.03Å; Q358-N374 VanDerWaalsContact N-O 3.08Å; Q358-G375 PolarHBondContact N-O 3.5Å; Q358-G375 VanDerWaalsContact N-O 3.17Å; Q358-F488 HydrophobicContact CB-CE2 4.35Å; Q358-F488 HydrophobicContact CB-CZ 4.39Å; Q358-F488 HydrophobicContact CG-CE2 4.15Å; Q358-F488 HydrophobicContact CG-CZ 4.33Å
359	Q	96.6	Very high	97.8	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.509	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.4	175	-60.2	177.6	13.8	0	0	108.6	T339 Y357 V373 N374	T339-Q359 CarbonylContact O-C 3.56Å; T339-Q359 WeakPolarHBondContact O-CA 3.4Å; Y357-Q359 PolarHBondContact O-N 3.04Å; Q359-V373 CarbonylContact O-C 3.59Å; Q359-V373 WeakPolarHBondContact O-CA 3.47Å; Q359-N374 HydrophobicContact CB-CB 4.05Å; Q359-N374 HydrophobicContact CG-CB 4.45Å; Q359-N374 PolarHBondContact N-O 3.05Å; Q359-N374 VanDerWaalsContact N-O 3.1Å; Q359-N374 PolarHBondContact O-N 3.04Å
360	F	98	Very high	97.9	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	123.7	175.6	176.7	-104.9	0	0	0	109	I284 I330 T339 V341 I362 M371 A372 V373 W434 I485	I284-F360 HydrophobicContact CD1-CE1 4.16Å; I284-F360 HydrophobicContact CD1-CZ 4.27Å; I330-F360 HydrophobicContact CG2-CE1 3.94Å; I330-F360 HydrophobicContact CG2-CZ 4.44Å; T339-F360 PolarHBondContact O-N 3.31Å; V341-F360 HydrophobicContact CB-CB 3.87Å; V341-F360 HydrophobicContact CB-CD1 4.14Å; V341-F360 HydrophobicContact CB-CD2 4.07Å; V341-F360 HydrophobicContact CB-CG 3.77Å; V341-F360 HydrophobicContact CG1-CB 3.69Å; V341-F360 HydrophobicContact CG1-CD2 3.68Å; V341-F360 HydrophobicContact CG1-CE2 4.44Å; V341-F360 HydrophobicContact CG1-CG 3.75Å; F360-I362 HydrophobicContact CE1-CD1 3.97Å; F360-I362 HydrophobicContact CE1-CG1 4.04Å; F360-I362 HydrophobicContact CE2-CG1 4.38Å; F360-I362 HydrophobicContact CZ-CD1 3.66Å; F360-I362 HydrophobicContact CZ-CG1 3.75Å; F360-M371 HydrophobicContact CD2-CG 4.48Å; F360-M371 HydrophobicContact CE2-CG 4.07Å; F360-M371 HydrophobicContact CE2-SD 3.91Å; F360-A372 WeakPolarHBondContact CA-O 3.48Å; F360-V373 HydrophobicContact CD2-CG1 3.62Å; F360-V373 HydrophobicContact CE2-CG1 4.39Å; F360-W434 HydrophobicContact CZ-CH2 4.29Å; F360-I485 HydrophobicContact CD1-CG2 3.76Å; F360-I485 HydrophobicContact CE1-CG2 3.83Å
361	T	98.1	Very high	97.9	Very high	43 Å²	43	46.8 Å²	46.8	26%	0.264	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136.6	177.5	-54.3	0	0	0	0	109.9	K335 M371 A372	K335-T361 HydrophobicContact CG-CG2 4.33Å; T361-M371 WeakPolarHBondContact O-CA 3.49Å; T361-A372 PolarHBondContact N-O 3.24Å; T361-A372 PolarHBondContact O-N 3.48Å
362	I	98.2	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.6	170.9	-61	173.1	0	0	0	108.1	I330 S331 S334 K335 F360 Y369 V370 W434	I330-I362 HydrophobicContact CB-CD1 3.77Å; I330-I362 HydrophobicContact CG2-CD1 3.31Å; I330-I362 HydrophobicContact CG2-CG1 4.46Å; S331-I362 PolarHBondContact OG-O 3.06Å; S334-I362 PolarHBondContact OG-N 3.25Å; K335-I362 VanDerWaalsContact CE-O 3.24Å; K335-I362 WeakPolarHBondContact CE-O 3.23Å; F360-I362 HydrophobicContact CE1-CD1 3.97Å; F360-I362 HydrophobicContact CE1-CG1 4.04Å; F360-I362 HydrophobicContact CE2-CG1 4.38Å; F360-I362 HydrophobicContact CZ-CD1 3.66Å; F360-I362 HydrophobicContact CZ-CG1 3.75Å; I362-Y369 HydrophobicContact CG2-CD1 4.19Å; I362-Y369 HydrophobicContact CG2-CG 4.44Å; I362-V370 WeakPolarHBondContact CA-O 3.35Å; I362-W434 HydrophobicContact CD1-CH2 3.86Å; I362-W434 HydrophobicContact CD1-CZ2 3.5Å; I362-W434 VanDerWaalsContact CD1-CZ2 3.5Å; I362-W434 HydrophobicContact CG1-CH2 4.41Å; I362-W434 HydrophobicContact CG1-CZ2 3.8Å
363	Q	98	Very high	97.8	Very high	73 Å²	73	40 Å²	40	34%	0.341	22%	0.217	S	C	.	.			trans	-77.3	174.2	176.5	-64.3	-58.6	-20.4	0	0	113.2	S331 K335 Y369 V370	S331-Q363 WeakPolarHBondContact CB-O 3.2Å; S331-Q363 PolarHBondContact OG-O 3.48Å; K335-Q363 VanDerWaalsContact CE-OE1 3.25Å; Q363-Y369 WeakPolarHBondContact O-CA 3.47Å; Q363-Y369 VanDerWaalsContact O-CD1 3.26Å; Q363-Y369 WeakPolarHBondContact O-CD1 3.46Å; Q363-V370 HydrophobicContact CB-CB 4.23Å; Q363-V370 HydrophobicContact CG-CB 4.06Å; Q363-V370 PolarHBondContact N-O 3.24Å
364	T	97.3	Very high	97.8	Very high	57 Å²	57	43.1 Å²	43.1	35%	0.35	23%	0.233	S	C	.	.			trans	-72.8	170.6	177.6	44.4	0	0	0	0	112.2	T366 S367 N368 Y369	T364-T366 PolarHBondContact O-N 2.86Å; T364-T366 PolarHBondContact OG1-OG1 3.25Å; T364-S367 CarbonylContact O-C 3.5Å; T364-S367 PolarHBondContact O-N 3.4Å; T364-N368 PolarHBondContact O-N 3.33Å; T364-Y369 PolarHBondContact O-N 3.41Å; T364-Y369 VanDerWaalsContact O-N 3.11Å
365	E	97.4	Very high	97.7	Very high	53 Å²	53	40 Å²	40	25%	0.248	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-55	-35.4	174.4	-170.9	168	-163.1	0	0	113.1	W298 R302 S367 N368 Y369 R411	W298-E365 HydrophobicContact CZ2-CG 4.26Å; W298-E365 PolarHBondContact NE1-OE1 2.95Å; R302-E365 VanDerWaalsContact CD-OE2 3.26Å; R302-E365 WeakPolarHBondContact CD-OE2 3.33Å; R302-E365 IonicContact CZ-OE2 2.87Å; R302-E365 IonicContact NE-OE1 3.8Å; R302-E365 IonicContact NE-OE2 3.86Å; R302-E365 IonicContact NH1-OE1 2.74Å; R302-E365 IonicContact NH1-OE2 3.22Å; R302-E365 PolarHBondContact NH1-OE2 3.04Å; E365-S367 PolarHBondContact O-N 3.49Å; E365-S367 VanDerWaalsContact O-N 3.11Å; E365-N368 PolarHBondContact O-N 2.8Å; E365-Y369 HydrophobicContact CB-CE1 4.06Å; E365-Y369 HydrophobicContact CB-CE2 4.18Å; E365-Y369 WeakPolarHBondContact CB-OH 3.45Å; E365-Y369 HydrophobicContact CG-CE2 4.1Å; E365-R411 IonicContact OE1-NH1 3.31Å
366	T	96.7	Very high	97.6	Very high	125 Å²	125	42.8 Å²	42.8	77%	0.767	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-59.3	-22.9	177.3	55.2	0	0	0	0	113.6	T364	T364-T366 PolarHBondContact O-N 2.86Å; T364-T366 PolarHBondContact OG1-OG1 3.25Å
367	S	96.4	Very high	97.6	Very high	51 Å²	51	44 Å²	44	36%	0.357	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-113.5	27.1	175.7	-54.1	0	0	0	0	110.8	T364 E365 Y369 V370	T364-S367 CarbonylContact O-C 3.5Å; T364-S367 PolarHBondContact O-N 3.4Å; E365-S367 PolarHBondContact O-N 3.49Å; E365-S367 VanDerWaalsContact O-N 3.11Å; S367-Y369 PolarHBondContact O-N 2.93Å; S367-V370 WeakPolarHBondContact O-CG2 3.44Å; S367-V370 PolarHBondContact O-N 3.25Å
368	N	97.8	Very high	97.5	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.144	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	35.5	178.2	-60.3	-36.9	0	0	0	113.7	W298 T364 E365 V370 M405 F406 R411 N413	W298-N368 HydrophobicContact CH2-CB 4.35Å; T364-N368 PolarHBondContact O-N 3.33Å; E365-N368 PolarHBondContact O-N 2.8Å; N368-V370 VanDerWaalsContact C-N 3.31Å; N368-V370 PolarHBondContact O-N 2.85Å; N368-M405 HydrophobicContact CB-CB 3.89Å; N368-M405 HydrophobicContact CB-CG 4.05Å; N368-M405 HydrophobicContact CB-SD 3.98Å; N368-M405 PolarHBondContact ND2-SD 3.43Å; N368-F406 WeakPolarHBondContact O-CB 3.46Å; N368-F406 PolarHBondContact O-N 3.29Å; N368-R411 PolarHBondContact OD1-NH2 2.8Å; N368-N413 PolarHBondContact ND2-OD1 2.7Å; N368-N413 VanDerWaalsContact ND2-OD1 3.13Å
369	Y	98.6	Very high	97.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	40.8	179.5	-53.1	-71.2	0	0	0	114.7	W298 R302 N327 D328 I362 Q363 T364 E365 S367 M371 F406 W434	W298-Y369 AromaticContact CE2-CE2 3.85Å; W298-Y369 AromaticContact CH2-CD2 3.55Å; W298-Y369 HydrophobicContact CH2-CD2 3.55Å; W298-Y369 AromaticContact CH2-CE2 3.89Å; W298-Y369 HydrophobicContact CH2-CE2 3.89Å; W298-Y369 AromaticContact CZ2-CD2 3.48Å; W298-Y369 HydrophobicContact CZ2-CD2 3.48Å; W298-Y369 VanDerWaalsContact CZ2-CD2 3.48Å; W298-Y369 AromaticContact CZ2-CE2 3.31Å; W298-Y369 HydrophobicContact CZ2-CE2 3.31Å; W298-Y369 HydrophobicContact CZ3-CD2 4.46Å; R302-Y369 WeakPolarHBondContact CD-OH 3.3Å; R302-Y369 WeakPolarHBondContact CG-OH 3.5Å; N327-Y369 HydrophobicContact CB-CD1 3.58Å; N327-Y369 HydrophobicContact CB-CD2 3.76Å; N327-Y369 HydrophobicContact CB-CE1 3.52Å; N327-Y369 HydrophobicContact CB-CE2 3.69Å; N327-Y369 HydrophobicContact CB-CG 3.71Å; N327-Y369 WeakPolarHBondContact ND2-CD2 3.44Å; D328-Y369 VanDerWaalsContact OD1-CE1 3.28Å; D328-Y369 WeakPolarHBondContact OD1-CE1 3.25Å; D328-Y369 PolarHBondContact OD1-OH 3.43Å; I362-Y369 HydrophobicContact CG2-CD1 4.19Å; I362-Y369 HydrophobicContact CG2-CG 4.44Å; Q363-Y369 WeakPolarHBondContact O-CA 3.47Å; Q363-Y369 VanDerWaalsContact O-CD1 3.26Å; Q363-Y369 WeakPolarHBondContact O-CD1 3.46Å; T364-Y369 PolarHBondContact O-N 3.41Å; T364-Y369 VanDerWaalsContact O-N 3.11Å; E365-Y369 HydrophobicContact CB-CE1 4.06Å; E365-Y369 HydrophobicContact CB-CE2 4.18Å; E365-Y369 WeakPolarHBondContact CB-OH 3.45Å; E365-Y369 HydrophobicContact CG-CE2 4.1Å; S367-Y369 PolarHBondContact O-N 2.93Å; Y369-M371 PolarHBondContact O-N 2.99Å; Y369-F406 HydrophobicContact CD2-CB 4.45Å; Y369-W434 PolarHBondContact O-NE1 3.25Å
370	V	98.4	Very high	97.6	Very high	33 Å²	33	40.7 Å²	40.7	20%	0.2	25%	0.246	C	C	.	.			trans	-48.2	129.2	176.2	-179.7	0	0	0	0	111.2	I362 Q363 S367 N368 M404 M405	I362-V370 WeakPolarHBondContact CA-O 3.35Å; Q363-V370 HydrophobicContact CB-CB 4.23Å; Q363-V370 HydrophobicContact CG-CB 4.06Å; Q363-V370 PolarHBondContact N-O 3.24Å; S367-V370 WeakPolarHBondContact O-CG2 3.44Å; S367-V370 PolarHBondContact O-N 3.25Å; N368-V370 VanDerWaalsContact C-N 3.31Å; N368-V370 PolarHBondContact O-N 2.85Å; V370-M404 WeakPolarHBondContact CA-O 3.49Å; V370-M405 HydrophobicContact CG2-CG 3.91Å
371	M	98.1	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.8	174.3	179	-179.6	67.8	0	0	111.2	F360 T361 Y369 V373 F384 H401 G403 M404 W434	F360-M371 HydrophobicContact CD2-CG 4.48Å; F360-M371 HydrophobicContact CE2-CG 4.07Å; F360-M371 HydrophobicContact CE2-SD 3.91Å; T361-M371 WeakPolarHBondContact O-CA 3.49Å; Y369-M371 PolarHBondContact O-N 2.99Å; M371-V373 HydrophobicContact CG-CG1 4.16Å; M371-V373 HydrophobicContact SD-CG1 4.18Å; M371-F384 HydrophobicContact CE-CD2 3.93Å; M371-F384 HydrophobicContact CE-CE2 4.23Å; M371-F384 HydrophobicContact CE-CG 4.15Å; M371-F384 HydrophobicContact SD-CD2 4.09Å; M371-F384 HydrophobicContact SD-CE2 4Å; M371-H401 HydrophobicContact CE-CB 3.52Å; M371-H401 WeakPolarHBondContact CE-O 3.49Å; M371-G403 VanDerWaalsContact O-CA 3.3Å; M371-G403 WeakPolarHBondContact O-CA 3.27Å; M371-G403 PolarHBondContact O-N 2.98Å; M371-M404 PolarHBondContact N-O 2.93Å; M371-M404 VanDerWaalsContact N-O 3.15Å; M371-W434 HydrophobicContact CB-CD2 3.74Å; M371-W434 HydrophobicContact CB-CG 3.74Å; M371-W434 HydrophobicContact CB-CZ2 4.24Å; M371-W434 HydrophobicContact CE-CB 4.19Å; M371-W434 HydrophobicContact CE-CD2 4.15Å; M371-W434 HydrophobicContact CE-CE3 4.07Å; M371-W434 HydrophobicContact CE-CG 4.21Å; M371-W434 HydrophobicContact CG-CD2 4.28Å; M371-W434 HydrophobicContact SD-CD2 3.73Å; M371-W434 HydrophobicContact SD-CE3 3.51Å; M371-W434 VanDerWaalsContact SD-CE3 3.51Å; M371-W434 HydrophobicContact SD-CG 4.33Å; M371-W434 HydrophobicContact SD-CH2 4.25Å; M371-W434 HydrophobicContact SD-CZ2 4.45Å; M371-W434 HydrophobicContact SD-CZ3 3.78Å
372	A	97.9	Very high	97.4	Very high	43 Å²	43	39.8 Å²	39.8	36%	0.355	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.1	166.9	0	0	0	0	0	109.9	F360 T361 N402	F360-A372 WeakPolarHBondContact CA-O 3.48Å; T361-A372 PolarHBondContact N-O 3.24Å; T361-A372 PolarHBondContact O-N 3.48Å; A372-N402 WeakPolarHBondContact CA-OD1 3.1Å
373	V	97.8	Very high	97.4	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.4	174.9	-71.5	0	0	0	0	112.5	Y357 Q359 F360 M371 F384 L385 N402	Y357-V373 HydrophobicContact CD1-CB 3.87Å; Y357-V373 HydrophobicContact CD1-CG2 4.13Å; Y357-V373 HydrophobicContact CE1-CB 4.44Å; Y357-V373 HydrophobicContact CE1-CG2 4.21Å; Y357-V373 HydrophobicContact CG-CB 4.18Å; Y357-V373 HydrophobicContact CG-CG1 4.39Å; Q359-V373 CarbonylContact O-C 3.59Å; Q359-V373 WeakPolarHBondContact O-CA 3.47Å; F360-V373 HydrophobicContact CD2-CG1 3.62Å; F360-V373 HydrophobicContact CE2-CG1 4.39Å; M371-V373 HydrophobicContact CG-CG1 4.16Å; M371-V373 HydrophobicContact SD-CG1 4.18Å; V373-F384 HydrophobicContact CG1-CD2 4.17Å; V373-F384 HydrophobicContact CG2-CB 3.74Å; V373-F384 HydrophobicContact CG2-CD2 4.25Å; V373-L385 HydrophobicContact CG2-CD2 4.01Å; V373-L385 HydrophobicContact CG2-CG 4.12Å; V373-L385 WeakPolarHBondContact O-CD2 3.5Å; V373-N402 HydrophobicContact CG2-CB 3.99Å; V373-N402 PolarHBondContact N-OD1 3.43Å; V373-N402 PolarHBondContact O-OD1 3.42Å
374	N	97	Very high	97.4	Very high	84 Å²	84	36.3 Å²	36.3	45%	0.449	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	170.1	170.7	-159.4	5	0	0	0	111.8	Y357 Q358 Q359	Y357-N374 CarbonylContact C-O 3.51Å; Y357-N374 WeakPolarHBondContact CB-O 3.49Å; Q358-N374 PolarHBondContact N-O 3.03Å; Q358-N374 VanDerWaalsContact N-O 3.08Å; Q359-N374 HydrophobicContact CB-CB 4.05Å; Q359-N374 HydrophobicContact CG-CB 4.45Å; Q359-N374 PolarHBondContact N-O 3.05Å; Q359-N374 VanDerWaalsContact N-O 3.1Å; Q359-N374 PolarHBondContact O-N 3.04Å
375	G	96.4	Very high	97.4	Very high	22 Å²	22	35.5 Å²	35.5	23%	0.227	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	48.6	175.2	0	0	0	0	0	112.2	Q358	Q358-G375 PolarHBondContact N-O 3.5Å; Q358-G375 VanDerWaalsContact N-O 3.17Å
376	Y	98.1	Very high	97.3	Very high	60 Å²	60	37 Å²	37	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	137.3	179.1	170.1	-96.5	0	0	0	111.9	A355 Q356 Y357 G378 G381 N382	A355-Y376 HydrophobicContact CB-CE2 3.84Å; Q356-Y376 CarbonylContact O-C 3.59Å; Q356-Y376 VanDerWaalsContact O-CA 3.28Å; Q356-Y376 WeakPolarHBondContact O-CA 3.34Å; Y357-Y376 HydrophobicContact CD1-CD2 4.31Å; Y357-Y376 AromaticContact CE1-CD2 3.71Å; Y357-Y376 HydrophobicContact CE1-CD2 3.71Å; Y357-Y376 HydrophobicContact CE1-CG 4.18Å; Y357-Y376 HydrophobicContact CE2-CD2 4.14Å; Y357-Y376 AromaticContact CZ-CD2 3.6Å; Y376-G378 VanDerWaalsContact OH-C 3.29Å; Y376-G378 PolarHBondContact OH-O 3.07Å; Y376-G381 VanDerWaalsContact OH-CA 3.3Å; Y376-G381 WeakPolarHBondContact OH-CA 3.47Å; Y376-G381 PolarHBondContact OH-N 3.42Å; Y376-N382 HydrophobicContact CD1-CB 3.74Å; Y376-N382 HydrophobicContact CD2-CB 3.98Å; Y376-N382 HydrophobicContact CE1-CB 3.84Å; Y376-N382 HydrophobicContact CE2-CB 4.03Å; Y376-N382 HydrophobicContact CG-CB 3.83Å; Y376-N382 VanDerWaalsContact CG-CG 3.5Å
377	S	97.5	Very high	97.3	Very high	47 Å²	47	31.1 Å²	31.1	33%	0.329	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.4	164.1	69.2	0	0	0	0	109.9	Q356	Q356-S377 PolarHBondContact N-O 3.29Å; Q356-S377 PolarHBondContact O-N 3.36Å
378	G	97.1	Very high	97.3	Very high	30 Å²	30	28.7 Å²	28.7	31%	0.309	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126.8	179.9	177.2	0	0	0	0	0	113.6	Y354 Y376	Y354-G378 VanDerWaalsContact CE2-CA 3.49Å; Y354-G378 CarbonylContact O-C 3.45Å; Y354-G378 WeakPolarHBondContact O-CA 3.48Å; Y376-G378 VanDerWaalsContact OH-C 3.29Å; Y376-G378 PolarHBondContact OH-O 3.07Å
379	N	97.8	Very high	97	Very high	97 Å²	97	31.1 Å²	31.1	52%	0.519	19%	0.186	S	C	.	.	S	Bend	trans	-114.6	4.6	-170.2	65.4	-12.1	0	0	0	113.8	V353 Y354	V353-N379 WeakPolarHBondContact CA-OD1 3.33Å; V353-N379 WeakPolarHBondContact CB-OD1 3.1Å; Y354-N379 WeakPolarHBondContact CD1-OD1 3.4Å; Y354-N379 PolarHBondContact N-OD1 3.22Å; Y354-N379 PolarHBondContact O-N 3.36Å; Y354-N379 PolarHBondContact O-OD1 2.99Å
380	A	96.8	Very high	96.6	Very high	2 Å²	2	36 Å²	36	2%	0.017	21%	0.209	C	C	.	.	S	Bend	trans	-86.1	-11.4	176.6	0	0	0	0	0	114.2	M345 V353 Y354 A355 W468	M345-A380 HydrophobicContact CE-CB 3.26Å; V353-A380 HydrophobicContact CB-CB 3.9Å; V353-A380 HydrophobicContact CG2-CB 3.58Å; Y354-A380 WeakPolarHBondContact O-CB 3.41Å; Y354-A380 PolarHBondContact O-N 2.82Å; Y354-A380 VanDerWaalsContact O-N 3.07Å; A355-A380 HydrophobicContact CB-CB 4.25Å; A380-W468 PolarHBondContact O-NE1 3.04Å
381	G	96.2	Very high	96.3	Very high	15 Å²	15	35.7 Å²	35.7	16%	0.155	21%	0.206	C	C	.	.			trans	85.9	148.6	-174.3	0	0	0	0	0	113	Y376 C383 W468	Y376-G381 VanDerWaalsContact OH-CA 3.3Å; Y376-G381 WeakPolarHBondContact OH-CA 3.47Å; Y376-G381 PolarHBondContact OH-N 3.42Å; G381-C383 PolarHBondContact O-N 3.42Å; G381-W468 WeakPolarHBondContact O-CZ2 3.15Å; G381-W468 PolarHBondContact O-NE1 3.01Å; G381-W468 VanDerWaalsContact O-NE1 3.14Å
382	N	96.9	Very high	95.9	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.053	24%	0.241	C	C	.	.			trans	-88.3	65.2	-165.9	-170.6	2.7	0	0	0	113.2	Y357 Y376 F384 L385 E386	Y357-N382 WeakPolarHBondContact CE1-OD1 3.49Å; Y357-N382 PolarHBondContact OH-OD1 2.88Å; Y376-N382 HydrophobicContact CD1-CB 3.74Å; Y376-N382 HydrophobicContact CD2-CB 3.98Å; Y376-N382 HydrophobicContact CE1-CB 3.84Å; Y376-N382 HydrophobicContact CE2-CB 4.03Å; Y376-N382 HydrophobicContact CG-CB 3.83Å; Y376-N382 VanDerWaalsContact CG-CG 3.5Å; N382-F384 VanDerWaalsContact C-N 3.28Å; N382-F384 PolarHBondContact O-N 2.83Å; N382-L385 WeakPolarHBondContact OD1-CB 3.38Å; N382-L385 PolarHBondContact OD1-N 3.26Å; N382-E386 HydrophobicContact CB-CB 4.35Å; N382-E386 HydrophobicContact CB-CG 4.17Å; N382-E386 PolarHBondContact ND2-OE1 3.28Å; N382-E386 WeakPolarHBondContact O-CB 3.36Å; N382-E386 PolarHBondContact O-N 2.85Å
383	C	96.9	Very high	95.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-37.9	-178.4	-72.6	0	0	0	0	112.7	G381 G387 S440 A441 W468 N470	G381-C383 PolarHBondContact O-N 3.42Å; C383-G387 WeakPolarHBondContact O-CA 3.39Å; C383-G387 PolarHBondContact O-N 2.84Å; C383-G387 VanDerWaalsContact O-N 3.13Å; C383-S440 WeakPolarHBondContact CB-OG 3.32Å; C383-S440 PolarHBondContact O-OG 3.42Å; C383-S440 PolarHBondContact SG-O 2.9Å; C383-A441 HydrophobicContact CB-CB 3.85Å; C383-W468 HydrophobicContact CB-CD2 4.47Å; C383-W468 HydrophobicContact CB-CH2 4.23Å; C383-W468 HydrophobicContact CB-CZ2 3.8Å; C383-W468 VanDerWaalsContact SG-CE2 3.59Å; C383-W468 PolarHBondContact SG-NE1 3.12Å; C383-W468 VanDerWaalsContact SG-NE1 3.43Å; C383-N470 PolarHBondContact N-ND2 3.24Å; C383-N470 PolarHBondContact SG-ND2 3.3Å
384	F	97.9	Very high	95.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-73.8	-34.9	-171.1	-66.5	-1.2	0	0	0	113.6	I343 Y357 M371 V373 N382 I400 H401 N402 W433 A441 W468 M483	I343-F384 HydrophobicContact CD1-CE1 4.48Å; I343-F384 HydrophobicContact CD1-CE2 3.6Å; I343-F384 HydrophobicContact CD1-CZ 3.57Å; Y357-F384 HydrophobicContact CD2-CD2 4.43Å; Y357-F384 HydrophobicContact CE1-CB 4.02Å; Y357-F384 AromaticContact CE2-CD2 3.84Å; Y357-F384 HydrophobicContact CE2-CD2 3.84Å; Y357-F384 HydrophobicContact CE2-CE2 4.38Å; Y357-F384 HydrophobicContact CE2-CG 4.29Å; Y357-F384 AromaticContact CZ-CD2 3.91Å; Y357-F384 AromaticContact CZ-CG 3.95Å; Y357-F384 WeakPolarHBondContact OH-CB 3.39Å; Y357-F384 PolarHBondContact OH-N 3.48Å; M371-F384 HydrophobicContact CE-CD2 3.93Å; M371-F384 HydrophobicContact CE-CE2 4.23Å; M371-F384 HydrophobicContact CE-CG 4.15Å; M371-F384 HydrophobicContact SD-CD2 4.09Å; M371-F384 HydrophobicContact SD-CE2 4Å; V373-F384 HydrophobicContact CG1-CD2 4.17Å; V373-F384 HydrophobicContact CG2-CB 3.74Å; V373-F384 HydrophobicContact CG2-CD2 4.25Å; N382-F384 VanDerWaalsContact C-N 3.28Å; N382-F384 PolarHBondContact O-N 2.83Å; F384-I400 WeakPolarHBondContact O-CG2 3.49Å; F384-H401 HydrophobicContact CB-CB 4.35Å; F384-H401 HydrophobicContact CD1-CB 4.08Å; F384-H401 AromaticContact CD1-CD2 3.72Å; F384-H401 HydrophobicContact CG-CB 4.33Å; F384-H401 PolarHBondContact O-N 3.18Å; F384-H401 VanDerWaalsContact O-N 3.16Å; F384-N402 WeakPolarHBondContact O-CB 3.19Å; F384-N402 PolarHBondContact O-N 3.07Å; F384-W433 AromaticContact CE1-CZ2 3.72Å; F384-W433 HydrophobicContact CE1-CZ2 3.72Å; F384-W433 AromaticContact CZ-CH2 3.98Å; F384-W433 HydrophobicContact CZ-CH2 3.98Å; F384-W433 AromaticContact CZ-CZ2 3.6Å; F384-W433 HydrophobicContact CZ-CZ2 3.6Å; F384-A441 HydrophobicContact CE1-CB 4.14Å; F384-W468 HydrophobicContact CD1-CH2 4.1Å; F384-W468 AromaticContact CE1-CH2 3.73Å; F384-W468 HydrophobicContact CE1-CH2 3.73Å; F384-W468 AromaticContact CE1-CZ3 3.81Å; F384-W468 HydrophobicContact CE1-CZ3 3.81Å; F384-W468 HydrophobicContact CZ-CH2 4.14Å; F384-W468 HydrophobicContact CZ-CZ3 4.2Å; F384-M483 HydrophobicContact CZ-CE 4.47Å
385	L	97.5	Very high	95	Very high	40 Å²	40	49 Å²	49	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-98.8	-30.7	-179.2	-65.3	164.8	0	0	0	113.4	Y357 V373 N382 N402	Y357-L385 HydrophobicContact CD1-CD1 4.17Å; Y357-L385 HydrophobicContact CE1-CD1 3.96Å; Y357-L385 HydrophobicContact CE1-CG 4.14Å; V373-L385 HydrophobicContact CG2-CD2 4.01Å; V373-L385 HydrophobicContact CG2-CG 4.12Å; V373-L385 WeakPolarHBondContact O-CD2 3.5Å; N382-L385 WeakPolarHBondContact OD1-CB 3.38Å; N382-L385 PolarHBondContact OD1-N 3.26Å; L385-N402 HydrophobicContact CD2-CB 3.86Å; L385-N402 WeakPolarHBondContact CD2-ND2 3.35Å
386	E	96.6	Very high	94.8	Very high	85 Å²	85	51.2 Å²	51.2	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-113.1	-6	-171.4	-65.3	175.1	-144.5	0	0	114	N382 R396	N382-E386 HydrophobicContact CB-CB 4.35Å; N382-E386 HydrophobicContact CB-CG 4.17Å; N382-E386 PolarHBondContact ND2-OE1 3.28Å; N382-E386 WeakPolarHBondContact O-CB 3.36Å; N382-E386 PolarHBondContact O-N 2.85Å; E386-R396 VanDerWaalsContact O-CG 3.24Å; E386-R396 WeakPolarHBondContact O-CG 3.39Å; E386-R396 PolarHBondContact O-NE 3.4Å; E386-R396 IonicContact OE2-NH2 3.57Å; E386-R396 PolarHBondContact OE2-NH2 2.84Å; E386-R396 VanDerWaalsContact OE2-NH2 3.16Å
387	G	96.1	Very high	94.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.			trans	68.4	-160.1	-177.3	0	0	0	0	0	112.2	C383 N470	C383-G387 WeakPolarHBondContact O-CA 3.39Å; C383-G387 PolarHBondContact O-N 2.84Å; C383-G387 VanDerWaalsContact O-N 3.13Å; G387-N470 PolarHBondContact O-ND2 3.34Å; G387-N470 PolarHBondContact O-OD1 2.87Å
388	A	95.9	Very high	94.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.			trans	-83.6	121.4	-176.1	0	0	0	0	0	112.7	E390 L391 R396 T399 M469 N470	A388-E390 VanDerWaalsContact C-N 3.29Å; A388-E390 PolarHBondContact O-N 2.9Å; A388-L391 HydrophobicContact CB-CD1 3.45Å; A388-L391 VanDerWaalsContact CB-CD1 3.45Å; A388-L391 HydrophobicContact CB-CG 4.45Å; A388-L391 PolarHBondContact O-N 2.85Å; A388-R396 WeakPolarHBondContact O-CG 3.47Å; A388-T399 PolarHBondContact N-OG1 3.5Å; A388-T399 VanDerWaalsContact N-OG1 3.09Å; A388-M469 HydrophobicContact CB-CB 4.1Å; A388-M469 HydrophobicContact CB-CE 3.69Å; A388-M469 HydrophobicContact CB-SD 3.75Å; A388-N470 WeakPolarHBondContact CA-OD1 3.5Å
389	L	92.1	Very high	94.4	Very high	79 Å²	79	49.5 Å²	49.5	41%	0.414	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.8	-175.3	-75.5	167.5	0	0	0	113.9	L391 N470	L389-L391 PolarHBondContact O-N 3.48Å; L389-N470 WeakPolarHBondContact CB-OD1 3.38Å; L389-N470 HydrophobicContact CD1-CB 4Å; L389-N470 WeakPolarHBondContact CG-OD1 3.31Å; L389-N470 PolarHBondContact N-OD1 3.32Å
390	E	90.6	Very high	94.4	Very high	101 Å²	101	46.7 Å²	46.7	47%	0.472	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.4	177.3	64.9	-173.9	160.5	0	0	113.4	A388 M469	A388-E390 VanDerWaalsContact C-N 3.29Å; A388-E390 PolarHBondContact O-N 2.9Å; E390-M469 HydrophobicContact CG-CE 4.19Å; E390-M469 WeakPolarHBondContact OE1-CE 3.38Å
391	L	90.9	Very high	94.4	Very high	28 Å²	28	46.6 Å²	46.6	15%	0.147	24%	0.239	C	C	.	.			trans	-117.7	158.6	-174.5	-65.2	147.1	0	0	0	110.4	R47 A388 L389 N395 R396 M469	R47-L391 VanDerWaalsContact NH2-CD1 3.29Å; A388-L391 HydrophobicContact CB-CD1 3.45Å; A388-L391 VanDerWaalsContact CB-CD1 3.45Å; A388-L391 HydrophobicContact CB-CG 4.45Å; A388-L391 PolarHBondContact O-N 2.85Å; L389-L391 PolarHBondContact O-N 3.48Å; L391-N395 HydrophobicContact CB-CB 4.31Å; L391-N395 HydrophobicContact CD2-CB 4.44Å; L391-R396 HydrophobicContact CB-CB 4.36Å; L391-R396 WeakPolarHBondContact O-CD 3.44Å; L391-M469 HydrophobicContact CD1-CE 3.67Å
392	Y	90.8	Very high	94.5	Very high	186 Å²	186	48.6 Å²	48.6	73%	0.729	25%	0.247	S	C	*	.			trans	-132.9	148.9	-170.7	-57	-86.9	0	0	0	112	N395	Y392-N395 WeakPolarHBondContact O-CB 3.49Å; Y392-N395 PolarHBondContact O-N 2.61Å
393	G	93.3	Very high	94.6	Very high	56 Å²	56	50 Å²	50	58%	0.577	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	-136.4	176.1	0	0	0	0	0	113	N395 R396 T397	G393-N395 PolarHBondContact O-N 2.94Å; G393-R396 PolarHBondContact O-N 3.4Å; G393-T397 PolarHBondContact O-N 3.38Å
394	E	90.7	Very high	94.6	Very high	137 Å²	137	51.5 Å²	51.5	64%	0.64	27%	0.271	S	S	*	.	H	α-helix	trans	-54	-38.8	-179.2	-165.6	-165.8	158.6	0	0	112.2	R396 T397 M398	E394-R396 VanDerWaalsContact C-N 3.35Å; E394-R396 PolarHBondContact O-N 3.36Å; E394-T397 WeakPolarHBondContact CA-OG1 3.48Å; E394-T397 PolarHBondContact O-N 3.28Å; E394-T397 PolarHBondContact O-OG1 3.46Å; E394-M398 HydrophobicContact CB-CE 4.25Å; E394-M398 HydrophobicContact CG-CE 3.64Å; E394-M398 WeakPolarHBondContact O-CB 3.4Å; E394-M398 WeakPolarHBondContact O-CE 3.46Å; E394-M398 VanDerWaalsContact O-CG 3.3Å; E394-M398 WeakPolarHBondContact O-CG 3.49Å; E394-M398 PolarHBondContact O-N 3.25Å
395	N	89.9	Confident	94.6	Very high	34 Å²	34	55.4 Å²	55.4	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-49.5	176.6	-76.7	-37.6	0	0	0	110.3	R47 L391 Y392 G393 T397 M398	R47-N395 WeakPolarHBondContact CG-OD1 3.45Å; R47-N395 PolarHBondContact NE-OD1 2.9Å; R47-N395 VanDerWaalsContact NE-OD1 3.1Å; R47-N395 PolarHBondContact NH2-O 3.16Å; L391-N395 HydrophobicContact CB-CB 4.31Å; L391-N395 HydrophobicContact CD2-CB 4.44Å; Y392-N395 WeakPolarHBondContact O-CB 3.49Å; Y392-N395 PolarHBondContact O-N 2.61Å; G393-N395 PolarHBondContact O-N 2.94Å; N395-T397 PolarHBondContact O-N 2.96Å; N395-M398 WeakPolarHBondContact O-CG 3.33Å
396	R	92.3	Very high	94.7	Very high	68 Å²	68	53.5 Å²	53.5	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-46.6	179.4	-175.9	167.7	-179.7	-171.9	-2.9	111.6	E386 A388 L391 G393 E394 M398 T399	E386-R396 VanDerWaalsContact O-CG 3.24Å; E386-R396 WeakPolarHBondContact O-CG 3.39Å; E386-R396 PolarHBondContact O-NE 3.4Å; E386-R396 IonicContact OE2-NH2 3.57Å; E386-R396 PolarHBondContact OE2-NH2 2.84Å; E386-R396 VanDerWaalsContact OE2-NH2 3.16Å; A388-R396 WeakPolarHBondContact O-CG 3.47Å; L391-R396 HydrophobicContact CB-CB 4.36Å; L391-R396 WeakPolarHBondContact O-CD 3.44Å; G393-R396 PolarHBondContact O-N 3.4Å; E394-R396 VanDerWaalsContact C-N 3.35Å; E394-R396 PolarHBondContact O-N 3.36Å; R396-M398 VanDerWaalsContact C-N 3.3Å; R396-M398 PolarHBondContact O-N 3.45Å; R396-T399 PolarHBondContact O-N 3.33Å; R396-T399 VanDerWaalsContact O-N 3.13Å; R396-T399 PolarHBondContact O-OG1 3.17Å
397	T	93.2	Very high	94.7	Very high	78 Å²	78	49.4 Å²	49.4	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-31.8	-175	54.1	0	0	0	0	113.3	G393 E394 N395 T399 I400 N436	G393-T397 PolarHBondContact O-N 3.38Å; E394-T397 WeakPolarHBondContact CA-OG1 3.48Å; E394-T397 PolarHBondContact O-N 3.28Å; E394-T397 PolarHBondContact O-OG1 3.46Å; N395-T397 PolarHBondContact O-N 2.96Å; T397-T399 PolarHBondContact O-N 2.99Å; T397-I400 HydrophobicContact CG2-CD1 4.4Å; T397-I400 WeakPolarHBondContact O-CB 3.43Å; T397-I400 PolarHBondContact O-N 3.48Å; T397-N436 PolarHBondContact O-ND2 3.45Å
398	M	93.7	Very high	94.8	Very high	21 Å²	21	49.5 Å²	49.5	10%	0.103	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-1.5	178.2	72.2	176.4	60.2	0	0	114	E394 N395 R396 N436 R437	E394-M398 HydrophobicContact CB-CE 4.25Å; E394-M398 HydrophobicContact CG-CE 3.64Å; E394-M398 WeakPolarHBondContact O-CB 3.4Å; E394-M398 WeakPolarHBondContact O-CE 3.46Å; E394-M398 VanDerWaalsContact O-CG 3.3Å; E394-M398 WeakPolarHBondContact O-CG 3.49Å; E394-M398 PolarHBondContact O-N 3.25Å; N395-M398 WeakPolarHBondContact O-CG 3.33Å; R396-M398 VanDerWaalsContact C-N 3.3Å; R396-M398 PolarHBondContact O-N 3.45Å; M398-N436 VanDerWaalsContact O-CB 3.28Å; M398-N436 WeakPolarHBondContact O-CB 3.34Å; M398-N436 PolarHBondContact O-ND2 3.16Å; M398-R437 HydrophobicContact CB-CB 3.69Å; M398-R437 HydrophobicContact CG-CB 3.99Å; M398-R437 HydrophobicContact CG-CG 4.47Å; M398-R437 WeakPolarHBondContact O-CA 3.5Å; M398-R437 WeakPolarHBondContact O-CB 3.39Å; M398-R437 PolarHBondContact O-N 2.88Å; M398-R437 HydrophobicContact SD-CB 4.13Å; M398-R437 HydrophobicContact SD-CG 3.96Å
399	T	96.1	Very high	94.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	7.4	176.2	62.2	0	0	0	0	113.5	R47 A388 R396 T397 H439 S440	R47-T399 VanDerWaalsContact NH2-CG2 3.33Å; A388-T399 PolarHBondContact N-OG1 3.5Å; A388-T399 VanDerWaalsContact N-OG1 3.09Å; R396-T399 PolarHBondContact O-N 3.33Å; R396-T399 VanDerWaalsContact O-N 3.13Å; R396-T399 PolarHBondContact O-OG1 3.17Å; T397-T399 PolarHBondContact O-N 2.99Å; T399-H439 WeakPolarHBondContact CB-O 3.44Å; T399-H439 WeakPolarHBondContact CG2-O 3.31Å; T399-S440 WeakPolarHBondContact O-CB 3.37Å; T399-S440 PolarHBondContact O-N 3.02Å; T399-S440 PolarHBondContact O-OG 2.94Å
400	I	97.9	Very high	95	Very high	39 Å²	39	52.7 Å²	52.7	20%	0.2	27%	0.274	C	S	.	.			trans	-76.4	133.4	176.3	-67.2	172.8	0	0	0	109.1	F384 T397 N402 M404 N436	F384-I400 WeakPolarHBondContact O-CG2 3.49Å; T397-I400 HydrophobicContact CG2-CD1 4.4Å; T397-I400 WeakPolarHBondContact O-CB 3.43Å; T397-I400 PolarHBondContact O-N 3.48Å; I400-N402 HydrophobicContact CG2-CB 4.22Å; I400-M404 WeakPolarHBondContact O-CG 3.31Å; I400-N436 WeakPolarHBondContact O-CB 3.31Å; I400-N436 PolarHBondContact O-ND2 3.33Å
401	H	97.9	Very high	95.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.			trans	-95.1	-23.8	-177.4	-62.1	-77.6	0	0	0	113.7	M371 F384 G403 M404 W433 W434 H439 S440 A441	M371-H401 HydrophobicContact CE-CB 3.52Å; M371-H401 WeakPolarHBondContact CE-O 3.49Å; F384-H401 HydrophobicContact CB-CB 4.35Å; F384-H401 HydrophobicContact CD1-CB 4.08Å; F384-H401 AromaticContact CD1-CD2 3.72Å; F384-H401 HydrophobicContact CG-CB 4.33Å; F384-H401 PolarHBondContact O-N 3.18Å; F384-H401 VanDerWaalsContact O-N 3.16Å; H401-G403 PolarHBondContact O-N 2.86Å; H401-M404 VanDerWaalsContact O-CB 3.29Å; H401-M404 WeakPolarHBondContact O-CB 3.35Å; H401-M404 WeakPolarHBondContact O-CG 3.37Å; H401-M404 PolarHBondContact O-N 3.23Å; H401-M404 VanDerWaalsContact O-N 3.07Å; H401-W433 AromaticContact CE1-CD1 3.65Å; H401-W433 AromaticContact CE1-NE1 3.26Å; H401-W433 PolarHBondContact CE1-NE1 3.47Å; H401-W433 VanDerWaalsContact CE1-NE1 3.26Å; H401-W433 AromaticContact ND1-CD1 3.76Å; H401-W433 AromaticContact ND1-NE1 3.36Å; H401-W433 PolarHBondContact ND1-NE1 3.41Å; H401-W433 AromaticContact NE2-NE1 3.99Å; H401-W434 PolarHBondContact ND1-O 3.47Å; H401-H439 VanDerWaalsContact CE1-CB 3.48Å; H401-H439 WeakPolarHBondContact CE1-CB 3.39Å; H401-S440 PolarHBondContact CD2-OG 3.33Å; H401-S440 VanDerWaalsContact CD2-OG 3.32Å; H401-S440 PolarHBondContact NE2-N 2.93Å; H401-S440 PolarHBondContact NE2-OG 3.4Å; H401-A441 PolarHBondContact CE1-O 3.26Å; H401-A441 VanDerWaalsContact CE1-O 3.29Å; H401-A441 PolarHBondContact NE2-N 2.9Å; H401-A441 PolarHBondContact NE2-O 2.84Å
402	N	98.3	Very high	95.4	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	128.2	179.9	-173.6	39.8	0	0	0	111.1	A372 V373 F384 L385 I400 M404	A372-N402 WeakPolarHBondContact CA-OD1 3.1Å; V373-N402 HydrophobicContact CG2-CB 3.99Å; V373-N402 PolarHBondContact N-OD1 3.43Å; V373-N402 PolarHBondContact O-OD1 3.42Å; F384-N402 WeakPolarHBondContact O-CB 3.19Å; F384-N402 PolarHBondContact O-N 3.07Å; L385-N402 HydrophobicContact CD2-CB 3.86Å; L385-N402 WeakPolarHBondContact CD2-ND2 3.35Å; I400-N402 HydrophobicContact CG2-CB 4.22Å; N402-M404 VanDerWaalsContact C-N 3.3Å
403	G	97.1	Very high	95.6	Very high	40 Å²	40	45.2 Å²	45.2	41%	0.412	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	0.2	-176.9	0	0	0	0	0	114.8	M371 H401	M371-G403 VanDerWaalsContact O-CA 3.3Å; M371-G403 WeakPolarHBondContact O-CA 3.27Å; M371-G403 PolarHBondContact O-N 2.98Å; H401-G403 PolarHBondContact O-N 2.86Å
404	M	97.9	Very high	95.5	Very high	31 Å²	31	43 Å²	43	15%	0.153	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-80.5	148	-179.5	-61.8	-61.9	98.2	0	0	112.1	V370 M371 I400 H401 N402 N415 W434 N436	V370-M404 WeakPolarHBondContact CA-O 3.49Å; M371-M404 PolarHBondContact N-O 2.93Å; M371-M404 VanDerWaalsContact N-O 3.15Å; I400-M404 WeakPolarHBondContact O-CG 3.31Å; H401-M404 VanDerWaalsContact O-CB 3.29Å; H401-M404 WeakPolarHBondContact O-CB 3.35Å; H401-M404 WeakPolarHBondContact O-CG 3.37Å; H401-M404 PolarHBondContact O-N 3.23Å; H401-M404 VanDerWaalsContact O-N 3.07Å; N402-M404 VanDerWaalsContact C-N 3.3Å; M404-N415 PolarHBondContact SD-ND2 3.19Å; M404-N415 VanDerWaalsContact SD-ND2 3.38Å; M404-W434 HydrophobicContact CB-CB 4.14Å; M404-N436 HydrophobicContact CG-CB 3.76Å; M404-N436 HydrophobicContact SD-CB 3.46Å; M404-N436 WeakPolarHBondContact SD-CB 3.33Å
405	M	98.3	Very high	95.6	Very high	81 Å²	81	40.6 Å²	40.6	40%	0.399	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-76.2	155.2	170.9	-62.2	-176.3	-169.1	0	0	109.9	N368 V370 N413 W434	N368-M405 HydrophobicContact CB-CB 3.89Å; N368-M405 HydrophobicContact CB-CG 4.05Å; N368-M405 HydrophobicContact CB-SD 3.98Å; N368-M405 PolarHBondContact ND2-SD 3.43Å; V370-M405 HydrophobicContact CG2-CG 3.91Å; M405-N413 HydrophobicContact CB-CB 3.59Å; M405-N413 HydrophobicContact CG-CB 4.43Å; M405-N413 HydrophobicContact SD-CB 4.08Å; M405-W434 WeakPolarHBondContact O-CA 3.35Å
406	F	98.6	Very high	95.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-78.6	140.6	173	-160.1	-93.9	0	0	0	109.7	W298 Y301 W324 N327 N368 Y369 T408 N413 G432 W433 W434	W298-F406 HydrophobicContact CE3-CD1 4.29Å; W298-F406 HydrophobicContact CH2-CB 4.32Å; W298-F406 HydrophobicContact CZ3-CB 4.17Å; W298-F406 AromaticContact CZ3-CD1 3.84Å; W298-F406 HydrophobicContact CZ3-CD1 3.84Å; W298-F406 HydrophobicContact CZ3-CG 4.5Å; W298-F406 VanDerWaalsContact CZ3-O 3.27Å; W298-F406 WeakPolarHBondContact CZ3-O 3.48Å; Y301-F406 AromaticContact CD1-CE1 3.79Å; Y301-F406 HydrophobicContact CD1-CE1 3.79Å; Y301-F406 AromaticContact CD1-CZ 3.43Å; Y301-F406 HydrophobicContact CD1-CZ 3.43Å; Y301-F406 VanDerWaalsContact CD1-CZ 3.43Å; Y301-F406 HydrophobicContact CD2-CE1 4.35Å; Y301-F406 HydrophobicContact CE1-CE1 4.49Å; Y301-F406 AromaticContact CE1-CZ 3.88Å; Y301-F406 HydrophobicContact CE1-CZ 3.88Å; Y301-F406 AromaticContact CG-CE1 3.7Å; Y301-F406 HydrophobicContact CG-CE1 3.7Å; Y301-F406 AromaticContact CG-CZ 3.86Å; Y301-F406 HydrophobicContact CG-CZ 3.86Å; W324-F406 HydrophobicContact CH2-CE2 4.49Å; W324-F406 HydrophobicContact CZ2-CE2 4.16Å; W324-F406 HydrophobicContact CZ2-CZ 4.41Å; N327-F406 WeakPolarHBondContact ND2-CD1 3.32Å; N327-F406 WeakPolarHBondContact ND2-CE1 3.21Å; N368-F406 WeakPolarHBondContact O-CB 3.46Å; N368-F406 PolarHBondContact O-N 3.29Å; Y369-F406 HydrophobicContact CD2-CB 4.45Å; F406-T408 HydrophobicContact CD1-CG2 4.3Å; F406-T408 HydrophobicContact CE1-CG2 3.84Å; F406-N413 PolarHBondContact O-ND2 3.22Å; F406-G432 WeakPolarHBondContact CZ-O 3.46Å; F406-W433 WeakPolarHBondContact CA-O 3.37Å; F406-W434 AromaticContact CD2-CD1 3.99Å; F406-W434 HydrophobicContact CD2-CD2 4.07Å; F406-W434 AromaticContact CD2-CE2 3.74Å; F406-W434 HydrophobicContact CD2-CG 4.22Å; F406-W434 HydrophobicContact CD2-CZ2 4.19Å; F406-W434 AromaticContact CD2-NE1 3.68Å; F406-W434 HydrophobicContact CE2-CZ2 4.48Å
407	S	97.6	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-132	148.1	177.3	-60.1	0	0	0	0	110.3	R411 N413 D414 G432 W433	S407-R411 WeakPolarHBondContact CA-O 3.37Å; S407-N413 WeakPolarHBondContact OG-CA 3.3Å; S407-N413 PolarHBondContact OG-N 3.2Å; S407-D414 PolarHBondContact OG-N 3.41Å; S407-G432 CarbonylContact O-C 3.33Å; S407-G432 WeakPolarHBondContact O-CA 3.35Å; S407-W433 PolarHBondContact N-O 3.32Å; S407-W433 PolarHBondContact O-N 2.9Å
408	T	98.1	Very high	93.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-130.1	167.6	170.6	53.5	0	0	0	0	109.1	W298 Y301 F406 D410 R411	W298-T408 VanDerWaalsContact CA-OG1 3.3Å; W298-T408 WeakPolarHBondContact CA-OG1 3.42Å; W298-T408 WeakPolarHBondContact CB-OG1 3.47Å; W298-T408 HydrophobicContact CE3-CG2 4.17Å; W298-T408 PolarHBondContact N-OG1 2.93Å; W298-T408 VanDerWaalsContact N-OG1 3.13Å; Y301-T408 HydrophobicContact CD2-CG2 3.58Å; Y301-T408 HydrophobicContact CE2-CG2 4.27Å; Y301-T408 HydrophobicContact CG-CG2 4.12Å; F406-T408 HydrophobicContact CD1-CG2 4.3Å; F406-T408 HydrophobicContact CE1-CG2 3.84Å; T408-D410 WeakPolarHBondContact CB-OD1 3.48Å; T408-D410 PolarHBondContact O-N 2.92Å; T408-D410 PolarHBondContact OG1-OD1 2.85Å; T408-R411 PolarHBondContact N-O 2.91Å; T408-R411 CarbonylContact O-C 3.57Å; T408-R411 PolarHBondContact O-N 3.37Å
409	Y	95.4	Very high	92.5	Very high	77 Å²	77	43.3 Å²	43.3	30%	0.302	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.2	-175.5	70.8	-106.9	0	0	0	114.3	G295 R296 R297 R427	G295-Y409 WeakPolarHBondContact O-CE1 3.43Å; R296-Y409 WeakPolarHBondContact O-CD1 3.46Å; R296-Y409 WeakPolarHBondContact O-CE1 3.32Å; R297-Y409 HydrophobicContact CG-CE1 4.01Å; R297-Y409 HydrophobicContact CG-CE2 3.99Å; R297-Y409 VanDerWaalsContact CG-CZ 3.4Å; R297-Y409 WeakPolarHBondContact CG-OH 3.14Å; R297-Y409 PolarHBondContact NE-OH 2.92Å; R297-Y409 VanDerWaalsContact NE-OH 3.16Å; Y409-R427 PolarHBondContact O-NE 3.45Å; Y409-R427 VanDerWaalsContact O-NE 3.09Å
410	D	95.8	Very high	91.6	Very high	69 Å²	69	45 Å²	45	37%	0.369	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-1	177.7	67	-35.2	0	0	0	113.9	R297 W298 T408	R297-D410 WeakPolarHBondContact CA-OD1 3.36Å; R297-D410 VanDerWaalsContact CB-OD2 3.3Å; R297-D410 WeakPolarHBondContact CB-OD2 3.41Å; W298-D410 PolarHBondContact N-OD1 3.36Å; W298-D410 PolarHBondContact N-OD2 3.09Å; T408-D410 WeakPolarHBondContact CB-OD1 3.48Å; T408-D410 PolarHBondContact O-N 2.92Å; T408-D410 PolarHBondContact OG1-OD1 2.85Å
411	R	95	Very high	90.6	Very high	78 Å²	78	47 Å²	47	29%	0.294	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-145.5	104.3	175.6	-170	173.2	177	169.3	-5.3	111	W298 E365 N368 S407 T408	W298-R411 HydrophobicContact CB-CB 4.28Å; W298-R411 HydrophobicContact CD2-CB 4.35Å; W298-R411 VanDerWaalsContact CD2-CD 3.43Å; W298-R411 HydrophobicContact CD2-CG 4.46Å; W298-R411 HydrophobicContact CE3-CB 3.97Å; W298-R411 HydrophobicContact CE3-CG 4.18Å; W298-R411 HydrophobicContact CG-CB 4.5Å; W298-R411 VanDerWaalsContact CZ2-NH1 3.31Å; W298-R411 HydrophobicContact CZ3-CG 4.43Å; E365-R411 IonicContact OE1-NH1 3.31Å; N368-R411 PolarHBondContact OD1-NH2 2.8Å; S407-R411 WeakPolarHBondContact CA-O 3.37Å; T408-R411 PolarHBondContact N-O 2.91Å; T408-R411 CarbonylContact O-C 3.57Å; T408-R411 PolarHBondContact O-N 3.37Å
412	D	95.2	Very high	89.7	Confident	47 Å²	47	50.9 Å²	50.9	25%	0.251	30%	0.303	S	S	.	.			trans	-85.5	114.8	179.2	-178.6	12.5	0	0	0	111.3	D414 Q424	D412-D414 VanDerWaalsContact OD1-CG 3.26Å; D412-D414 PolarHBondContact OD1-N 3.02Å; D412-Q424 HydrophobicContact CB-CG 4.14Å
413	N	95	Very high	89	Confident	33 Å²	33	50.8 Å²	50.8	18%	0.176	30%	0.301	C	S	.	.			trans	-129.4	23.1	167.1	-53.4	-66.3	0	0	0	110.6	N368 M405 F406 S407	N368-N413 PolarHBondContact ND2-OD1 2.7Å; N368-N413 VanDerWaalsContact ND2-OD1 3.13Å; M405-N413 HydrophobicContact CB-CB 3.59Å; M405-N413 HydrophobicContact CG-CB 4.43Å; M405-N413 HydrophobicContact SD-CB 4.08Å; F406-N413 PolarHBondContact O-ND2 3.22Å; S407-N413 WeakPolarHBondContact OG-CA 3.3Å; S407-N413 PolarHBondContact OG-N 3.2Å
414	D	92.9	Very high	88.8	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.053	28%	0.284	C	S	.	.			trans	-87.2	168	-178.5	79.4	49.1	0	0	0	111.8	S407 D412 W416 C425 N436	S407-D414 PolarHBondContact OG-N 3.41Å; D412-D414 VanDerWaalsContact OD1-CG 3.26Å; D412-D414 PolarHBondContact OD1-N 3.02Å; D414-W416 WeakPolarHBondContact OD1-CB 3.28Å; D414-W416 PolarHBondContact OD1-N 3.43Å; D414-C425 WeakPolarHBondContact OD2-CB 3.18Å; D414-C425 PolarHBondContact OD2-N 2.87Å; D414-N436 WeakPolarHBondContact CB-O 3.39Å
415	N	91.6	Very high	88.7	Confident	87 Å²	87	48.2 Å²	48.2	47%	0.465	28%	0.277	S	S	.	.	S	Bend	trans	-102.9	22.2	-175.8	-78.1	-23.1	0	0	0	112.1	M404 N436	M404-N415 PolarHBondContact SD-ND2 3.19Å; M404-N415 VanDerWaalsContact SD-ND2 3.38Å; N415-N436 VanDerWaalsContact CB-OD1 3.24Å; N415-N436 WeakPolarHBondContact CB-OD1 3.22Å; N415-N436 PolarHBondContact N-O 3.18Å; N415-N436 PolarHBondContact ND2-OD1 3.49Å; N415-N436 VanDerWaalsContact ND2-OD1 3.16Å
416	W	85.8	Confident	88.6	Confident	19 Å²	19	44.5 Å²	44.5	7%	0.072	26%	0.259	C	S	.	.	S	Bend	trans	-74.5	-69.3	-175.6	-173.6	2	0	0	0	112.3	H46 D414 K423 E428 R437	H46-W416 AromaticContact CD2-CZ2 3.7Å; D414-W416 WeakPolarHBondContact OD1-CB 3.28Å; D414-W416 PolarHBondContact OD1-N 3.43Å; W416-K423 HydrophobicContact CD2-CB 3.92Å; W416-K423 HydrophobicContact CE3-CB 3.94Å; W416-K423 HydrophobicContact CH2-CB 4.04Å; W416-K423 HydrophobicContact CH2-CG 4.19Å; W416-K423 HydrophobicContact CZ2-CB 4.04Å; W416-K423 HydrophobicContact CZ2-CD 4.1Å; W416-K423 HydrophobicContact CZ2-CG 4.04Å; W416-K423 HydrophobicContact CZ3-CB 4.02Å; W416-E428 HydrophobicContact CH2-CG 4.42Å; W416-E428 VanDerWaalsContact CH2-OE1 3.31Å; W416-E428 WeakPolarHBondContact CH2-OE1 3.09Å; W416-E428 WeakPolarHBondContact CH2-OE2 3.35Å; W416-E428 VanDerWaalsContact CZ3-CD 3.43Å; W416-E428 HydrophobicContact CZ3-CG 4.11Å; W416-E428 VanDerWaalsContact CZ3-OE2 3.24Å; W416-E428 WeakPolarHBondContact CZ3-OE2 3.45Å; W416-R437 HydrophobicContact CB-CG 4.24Å; W416-R437 HydrophobicContact CG-CG 4.08Å
417	T	83	Confident	88.4	Confident	48 Å²	48	50 Å²	50	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	-143.5	92.2	175.3	-47.7	0	0	0	0	108.5	G419 D420	T417-G419 PolarHBondContact O-N 2.92Å; T417-G419 VanDerWaalsContact O-N 3.13Å; T417-D420 HydrophobicContact CG2-CB 4.01Å; T417-D420 PolarHBondContact O-N 2.96Å; T417-D420 VanDerWaalsContact O-N 3.09Å
418	P	68.7	Low	88.3	Confident	114 Å²	114	51.9 Å²	51.9	74%	0.74	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	121.1	-172.7	-27.8	34.9	0	0	0	112.5
419	G	67.2	Low	88.2	Confident	76 Å²	76	52 Å²	52	78%	0.784	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	1.3	176.4	0	0	0	0	0	115.8	T417 P421	T417-G419 PolarHBondContact O-N 2.92Å; T417-G419 VanDerWaalsContact O-N 3.13Å; G419-P421 VanDerWaalsContact O-CD 3.3Å; G419-P421 WeakPolarHBondContact O-CD 3.36Å
420	D	77.4	Confident	88.2	Confident	38 Å²	38	49.1 Å²	49.1	20%	0.203	28%	0.283	C	S	.	.			trans	-94.2	104.1	171.4	-172.9	-12.6	0	0	0	110.8	T417 S422 K423	T417-D420 HydrophobicContact CG2-CB 4.01Å; T417-D420 PolarHBondContact O-N 2.96Å; T417-D420 VanDerWaalsContact O-N 3.09Å; D420-S422 PolarHBondContact O-N 3.4Å; D420-S422 VanDerWaalsContact O-N 3.1Å; D420-S422 VanDerWaalsContact OD1-CB 3.3Å; D420-S422 WeakPolarHBondContact OD1-CB 3.46Å; D420-S422 PolarHBondContact OD1-N 3.48Å; D420-S422 PolarHBondContact OD1-OG 3.29Å; D420-S422 PolarHBondContact OD2-OG 2.89Å; D420-K423 HydrophobicContact CB-CB 4.44Å; D420-K423 PolarHBondContact O-N 3.39Å; D420-K423 VanDerWaalsContact O-N 3.11Å; D420-K423 IonicContact OD2-NZ 3.98Å; D420-K423 PolarHBondContact OD2-NZ 3.19Å
421	P	76.7	Confident	88.2	Confident	81 Å²	81	45.9 Å²	45.9	53%	0.526	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.9	-178.7	29.7	-35.7	0	0	0	113.9	G419 R427	G419-P421 VanDerWaalsContact O-CD 3.3Å; G419-P421 WeakPolarHBondContact O-CD 3.36Å; P421-R427 PolarHBondContact O-NH1 3.44Å
422	S	78.4	Confident	88.4	Confident	81 Å²	81	42.2 Å²	42.2	57%	0.566	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-15.1	175.6	74.1	0	0	0	0	113.3	D420	D420-S422 PolarHBondContact O-N 3.4Å; D420-S422 VanDerWaalsContact O-N 3.1Å; D420-S422 VanDerWaalsContact OD1-CB 3.3Å; D420-S422 WeakPolarHBondContact OD1-CB 3.46Å; D420-S422 PolarHBondContact OD1-N 3.48Å; D420-S422 PolarHBondContact OD1-OG 3.29Å; D420-S422 PolarHBondContact OD2-OG 2.89Å
423	K	84.6	Confident	88.5	Confident	56 Å²	56	40 Å²	40	24%	0.243	24%	0.241	C	C	.	.			trans	-124.8	76.8	-174.7	-67.4	-171.7	-165	101.1	0	111.6	W416 D420	W416-K423 HydrophobicContact CD2-CB 3.92Å; W416-K423 HydrophobicContact CE3-CB 3.94Å; W416-K423 HydrophobicContact CH2-CB 4.04Å; W416-K423 HydrophobicContact CH2-CG 4.19Å; W416-K423 HydrophobicContact CZ2-CB 4.04Å; W416-K423 HydrophobicContact CZ2-CD 4.1Å; W416-K423 HydrophobicContact CZ2-CG 4.04Å; W416-K423 HydrophobicContact CZ3-CB 4.02Å; D420-K423 HydrophobicContact CB-CB 4.44Å; D420-K423 PolarHBondContact O-N 3.39Å; D420-K423 VanDerWaalsContact O-N 3.11Å; D420-K423 IonicContact OD2-NZ 3.98Å; D420-K423 PolarHBondContact OD2-NZ 3.19Å
424	Q	92.6	Very high	88.7	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.075	23%	0.232	C	C	.	.			trans	-124.8	125.6	-179.9	-61.4	179.7	-2.6	0	0	109.7	D412 A426 R427 E428	D412-Q424 HydrophobicContact CB-CG 4.14Å; Q424-A426 VanDerWaalsContact C-N 3.32Å; Q424-A426 PolarHBondContact O-N 2.94Å; Q424-R427 HydrophobicContact CB-CB 4.22Å; Q424-R427 HydrophobicContact CB-CG 4Å; Q424-R427 WeakPolarHBondContact O-CB 3.25Å; Q424-R427 PolarHBondContact O-N 2.85Å; Q424-R427 VanDerWaalsContact O-N 3.11Å; Q424-R427 VanDerWaalsContact OE1-CD 3.3Å; Q424-E428 PolarHBondContact O-N 3.45Å
425	C	95.8	Very high	88.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-39.9	-176.2	-64.2	0	0	0	0	111.7	D414 R427 E428 D429 Y435 C438	D414-C425 WeakPolarHBondContact OD2-CB 3.18Å; D414-C425 PolarHBondContact OD2-N 2.87Å; C425-R427 PolarHBondContact O-N 2.9Å; C425-E428 PolarHBondContact O-N 3.38Å; C425-D429 VanDerWaalsContact O-CB 3.28Å; C425-D429 WeakPolarHBondContact O-CB 3.5Å; C425-D429 PolarHBondContact O-N 3.36Å; C425-Y435 HydrophobicContact CB-CD1 3.98Å; C425-Y435 HydrophobicContact CB-CD2 4.14Å; C425-Y435 HydrophobicContact CB-CG 3.71Å; C425-C438 HydrophobicContact CB-CB 3.74Å; C425-C438 WeakPolarHBondContact CB-SG 3.41Å; C425-C438 WeakPolarHBondContact SG-CA 3.31Å; C425-C438 WeakPolarHBondContact SG-CB 3.4Å; C425-C438 PolarHBondContact SG-N 3.18Å; C425-C438 CovalentContact SG-SG 2.06Å; C425-C438 PolarHBondContact SG-SG 3.46Å
426	A	95.9	Very high	89.1	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-25.9	178.2	0	0	0	0	0	113.5	Q424 G430 G431 Y435	Q424-A426 VanDerWaalsContact C-N 3.32Å; Q424-A426 PolarHBondContact O-N 2.94Å; A426-G430 PolarHBondContact O-N 3.47Å; A426-G431 WeakPolarHBondContact CB-O 3.43Å; A426-Y435 HydrophobicContact CB-CD2 3.95Å; A426-Y435 HydrophobicContact CB-CE2 3.77Å
427	R	94.4	Very high	89.5	Confident	117 Å²	117	37.6 Å²	37.6	44%	0.442	22%	0.223	S	C	.	.	H	α-helix	trans	-75.9	-46.3	173.7	-71.4	-175.4	174.3	-166.1	-4.7	111.2	Y409 P421 Q424 C425 H460	Y409-R427 PolarHBondContact O-NE 3.45Å; Y409-R427 VanDerWaalsContact O-NE 3.09Å; P421-R427 PolarHBondContact O-NH1 3.44Å; Q424-R427 HydrophobicContact CB-CB 4.22Å; Q424-R427 HydrophobicContact CB-CG 4Å; Q424-R427 WeakPolarHBondContact O-CB 3.25Å; Q424-R427 PolarHBondContact O-N 2.85Å; Q424-R427 VanDerWaalsContact O-N 3.11Å; Q424-R427 VanDerWaalsContact OE1-CD 3.3Å; C425-R427 PolarHBondContact O-N 2.9Å; R427-H460 PolarHBondContact O-CE1 2.87Å; R427-H460 PolarHBondContact O-ND1 2.89Å
428	E	94.5	Very high	90.1	Very high	39 Å²	39	36.2 Å²	36.2	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-72.7	-47.7	-176.3	-65.4	-163.9	166.3	0	0	112.2	W416 Q424 C425 G430 H460 T462 D464	W416-E428 HydrophobicContact CH2-CG 4.42Å; W416-E428 VanDerWaalsContact CH2-OE1 3.31Å; W416-E428 WeakPolarHBondContact CH2-OE1 3.09Å; W416-E428 WeakPolarHBondContact CH2-OE2 3.35Å; W416-E428 VanDerWaalsContact CZ3-CD 3.43Å; W416-E428 HydrophobicContact CZ3-CG 4.11Å; W416-E428 VanDerWaalsContact CZ3-OE2 3.24Å; W416-E428 WeakPolarHBondContact CZ3-OE2 3.45Å; Q424-E428 PolarHBondContact O-N 3.45Å; C425-E428 PolarHBondContact O-N 3.38Å; E428-G430 VanDerWaalsContact C-N 3.34Å; E428-G430 PolarHBondContact O-N 2.95Å; E428-H460 WeakPolarHBondContact CA-ND1 3.4Å; E428-H460 HydrophobicContact CB-CB 4.17Å; E428-H460 HydrophobicContact CG-CB 4.08Å; E428-H460 PolarHBondContact O-ND1 3.41Å; E428-T462 HydrophobicContact CB-CG2 3.97Å; E428-T462 PolarHBondContact O-OG1 3.22Å; E428-T462 WeakPolarHBondContact OE2-CG2 3.42Å; E428-D464 WeakPolarHBondContact O-CB 3.36Å
429	D	96.3	Very high	91.5	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.011	18%	0.182	C	C	.	.	S	Bend	trans	-88.9	1.4	-172.9	-60.5	-22.9	0	0	0	114.1	C425 G431 Y435 C438 H439 N442 T462	C425-D429 VanDerWaalsContact O-CB 3.28Å; C425-D429 WeakPolarHBondContact O-CB 3.5Å; C425-D429 PolarHBondContact O-N 3.36Å; D429-G431 PolarHBondContact O-N 3.25Å; D429-Y435 HydrophobicContact CB-CE1 4.02Å; D429-C438 WeakPolarHBondContact OD2-CB 3.42Å; D429-H439 IonicContact OD1-CE1 2.7Å; D429-H439 IonicContact OD2-CE1 3.92Å; D429-H439 PolarHBondContact OD2-CE1 2.9Å; D429-H439 VanDerWaalsContact OD2-CE1 3.28Å; D429-H439 IonicContact OD2-ND1 2.83Å; D429-H439 PolarHBondContact OD2-ND1 3.4Å; D429-N442 PolarHBondContact O-ND2 2.83Å; D429-T462 PolarHBondContact OD1-OG1 3.28Å; D429-T462 VanDerWaalsContact OD1-OG1 3.04Å
430	G	94.6	Very high	92.9	Very high	17 Å²	17	27.5 Å²	27.5	18%	0.175	14%	0.144	C	C	.	.			trans	73.9	26.6	158.5	0	0	0	0	0	116.7	A426 E428	A426-G430 PolarHBondContact O-N 3.47Å; E428-G430 VanDerWaalsContact C-N 3.34Å; E428-G430 PolarHBondContact O-N 2.95Å
431	G	96.8	Very high	93.9	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	-159.5	175.7	179.7	0	0	0	0	0	113.6	A426 D429 Y435	A426-G431 WeakPolarHBondContact CB-O 3.43Å; D429-G431 PolarHBondContact O-N 3.25Å; G431-Y435 WeakPolarHBondContact O-CE2 3.4Å
432	G	98.5	Very high	95	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.			trans	-94.3	127.5	167.4	0	0	0	0	0	111	Y301 F406 S407 N444	Y301-G432 VanDerWaalsContact CE2-CA 3.47Å; Y301-G432 VanDerWaalsContact CE2-N 3.28Å; Y301-G432 VanDerWaalsContact CZ-CA 3.47Å; Y301-G432 PolarHBondContact OH-N 3Å; F406-G432 WeakPolarHBondContact CZ-O 3.46Å; S407-G432 CarbonylContact O-C 3.33Å; S407-G432 WeakPolarHBondContact O-CA 3.35Å; G432-N444 WeakPolarHBondContact O-CB 3.39Å; G432-N444 PolarHBondContact O-ND2 2.89Å
433	W	98.7	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-159.7	170.4	-176.2	-162.9	-123.3	0	0	0	113.3	W324 F384 H401 F406 S407 Y435 A441 P443 N444 M483	W324-W433 HydrophobicContact CH2-CZ3 4.38Å; W324-W433 HydrophobicContact CZ3-CZ3 4.33Å; F384-W433 AromaticContact CE1-CZ2 3.72Å; F384-W433 HydrophobicContact CE1-CZ2 3.72Å; F384-W433 AromaticContact CZ-CH2 3.98Å; F384-W433 HydrophobicContact CZ-CH2 3.98Å; F384-W433 AromaticContact CZ-CZ2 3.6Å; F384-W433 HydrophobicContact CZ-CZ2 3.6Å; H401-W433 AromaticContact CE1-CD1 3.65Å; H401-W433 AromaticContact CE1-NE1 3.26Å; H401-W433 PolarHBondContact CE1-NE1 3.47Å; H401-W433 VanDerWaalsContact CE1-NE1 3.26Å; H401-W433 AromaticContact ND1-CD1 3.76Å; H401-W433 AromaticContact ND1-NE1 3.36Å; H401-W433 PolarHBondContact ND1-NE1 3.41Å; H401-W433 AromaticContact NE2-NE1 3.99Å; F406-W433 WeakPolarHBondContact CA-O 3.37Å; S407-W433 PolarHBondContact N-O 3.32Å; S407-W433 PolarHBondContact O-N 2.9Å; W433-Y435 HydrophobicContact CB-CD1 4.1Å; W433-Y435 HydrophobicContact CB-CD2 3.79Å; W433-Y435 HydrophobicContact CB-CE1 3.76Å; W433-Y435 HydrophobicContact CB-CE2 3.42Å; W433-Y435 VanDerWaalsContact CB-CE2 3.42Å; W433-Y435 HydrophobicContact CB-CG 4.11Å; W433-Y435 VanDerWaalsContact CB-CZ 3.4Å; W433-Y435 AromaticContact CD1-CE1 3.99Å; W433-Y435 HydrophobicContact CG-CE1 4.25Å; W433-Y435 PolarHBondContact O-N 2.96Å; W433-A441 PolarHBondContact NE1-O 3.46Å; W433-P443 HydrophobicContact CH2-CB 4.14Å; W433-P443 HydrophobicContact CH2-CG 3.52Å; W433-P443 HydrophobicContact CZ2-CG 3.62Å; W433-P443 HydrophobicContact CZ3-CB 4.3Å; W433-P443 HydrophobicContact CZ3-CG 4.13Å; W433-N444 HydrophobicContact CE3-CB 4.45Å; W433-M483 HydrophobicContact CH2-CE 3.96Å; W433-M483 HydrophobicContact CH2-SD 3.66Å; W433-M483 HydrophobicContact CZ3-SD 3.96Å
434	W	98.6	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.			trans	-76.7	67.3	167.2	-60.1	-73.3	0	0	0	110.8	W324 F360 I362 Y369 M371 H401 M404 M405 F406 M483	W324-W434 AromaticContact CH2-CH2 3.89Å; W324-W434 HydrophobicContact CH2-CH2 3.89Å; W324-W434 HydrophobicContact CH2-CZ3 4.29Å; W324-W434 HydrophobicContact CZ2-CH2 4.45Å; F360-W434 HydrophobicContact CZ-CH2 4.29Å; I362-W434 HydrophobicContact CD1-CH2 3.86Å; I362-W434 HydrophobicContact CD1-CZ2 3.5Å; I362-W434 VanDerWaalsContact CD1-CZ2 3.5Å; I362-W434 HydrophobicContact CG1-CH2 4.41Å; I362-W434 HydrophobicContact CG1-CZ2 3.8Å; Y369-W434 PolarHBondContact O-NE1 3.25Å; M371-W434 HydrophobicContact CB-CD2 3.74Å; M371-W434 HydrophobicContact CB-CG 3.74Å; M371-W434 HydrophobicContact CB-CZ2 4.24Å; M371-W434 HydrophobicContact CE-CB 4.19Å; M371-W434 HydrophobicContact CE-CD2 4.15Å; M371-W434 HydrophobicContact CE-CE3 4.07Å; M371-W434 HydrophobicContact CE-CG 4.21Å; M371-W434 HydrophobicContact CG-CD2 4.28Å; M371-W434 HydrophobicContact SD-CD2 3.73Å; M371-W434 HydrophobicContact SD-CE3 3.51Å; M371-W434 VanDerWaalsContact SD-CE3 3.51Å; M371-W434 HydrophobicContact SD-CG 4.33Å; M371-W434 HydrophobicContact SD-CH2 4.25Å; M371-W434 HydrophobicContact SD-CZ2 4.45Å; M371-W434 HydrophobicContact SD-CZ3 3.78Å; H401-W434 PolarHBondContact ND1-O 3.47Å; M404-W434 HydrophobicContact CB-CB 4.14Å; M405-W434 WeakPolarHBondContact O-CA 3.35Å; F406-W434 AromaticContact CD2-CD1 3.99Å; F406-W434 HydrophobicContact CD2-CD2 4.07Å; F406-W434 AromaticContact CD2-CE2 3.74Å; F406-W434 HydrophobicContact CD2-CG 4.22Å; F406-W434 HydrophobicContact CD2-CZ2 4.19Å; F406-W434 AromaticContact CD2-NE1 3.68Å; F406-W434 HydrophobicContact CE2-CZ2 4.48Å; W434-M483 HydrophobicContact CZ3-CE 4.32Å
435	Y	97.9	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.068	C	C	.	.			trans	-74.1	139.8	179	-65.3	-63.5	0	0	0	111.3	C425 A426 D429 G431 W433 C438 H439 N442	C425-Y435 HydrophobicContact CB-CD1 3.98Å; C425-Y435 HydrophobicContact CB-CD2 4.14Å; C425-Y435 HydrophobicContact CB-CG 3.71Å; A426-Y435 HydrophobicContact CB-CD2 3.95Å; A426-Y435 HydrophobicContact CB-CE2 3.77Å; D429-Y435 HydrophobicContact CB-CE1 4.02Å; G431-Y435 WeakPolarHBondContact O-CE2 3.4Å; W433-Y435 HydrophobicContact CB-CD1 4.1Å; W433-Y435 HydrophobicContact CB-CD2 3.79Å; W433-Y435 HydrophobicContact CB-CE1 3.76Å; W433-Y435 HydrophobicContact CB-CE2 3.42Å; W433-Y435 VanDerWaalsContact CB-CE2 3.42Å; W433-Y435 HydrophobicContact CB-CG 4.11Å; W433-Y435 VanDerWaalsContact CB-CZ 3.4Å; W433-Y435 AromaticContact CD1-CE1 3.99Å; W433-Y435 HydrophobicContact CG-CE1 4.25Å; W433-Y435 PolarHBondContact O-N 2.96Å; Y435-C438 WeakPolarHBondContact CA-O 3.42Å; Y435-H439 HydrophobicContact CD1-CB 4.11Å; Y435-H439 HydrophobicContact CE1-CB 4.21Å; Y435-N442 PolarHBondContact OH-OD1 3.36Å
436	N	94.8	Very high	97	Very high	17 Å²	17	20 Å²	20	9%	0.091	9%	0.088	C	C	.	.	S	Bend	trans	-102.1	-116.8	170.7	-171.8	-9.6	0	0	0	108.3	T397 M398 I400 M404 D414 N415 C438	T397-N436 PolarHBondContact O-ND2 3.45Å; M398-N436 VanDerWaalsContact O-CB 3.28Å; M398-N436 WeakPolarHBondContact O-CB 3.34Å; M398-N436 PolarHBondContact O-ND2 3.16Å; I400-N436 WeakPolarHBondContact O-CB 3.31Å; I400-N436 PolarHBondContact O-ND2 3.33Å; M404-N436 HydrophobicContact CG-CB 3.76Å; M404-N436 HydrophobicContact SD-CB 3.46Å; M404-N436 WeakPolarHBondContact SD-CB 3.33Å; D414-N436 WeakPolarHBondContact CB-O 3.39Å; N415-N436 VanDerWaalsContact CB-OD1 3.24Å; N415-N436 WeakPolarHBondContact CB-OD1 3.22Å; N415-N436 PolarHBondContact N-O 3.18Å; N415-N436 PolarHBondContact ND2-OD1 3.49Å; N415-N436 VanDerWaalsContact ND2-OD1 3.16Å; N436-C438 PolarHBondContact N-O 3.42Å; N436-C438 PolarHBondContact O-N 2.97Å
437	R	94.4	Very high	97.1	Very high	82 Å²	82	21.5 Å²	21.5	31%	0.309	9%	0.094	S	C	.	.	S	Bend	trans	-82.8	62.6	153.6	-164.3	152	175.4	-170	6.7	108	M398 W416	M398-R437 HydrophobicContact CB-CB 3.69Å; M398-R437 HydrophobicContact CG-CB 3.99Å; M398-R437 HydrophobicContact CG-CG 4.47Å; M398-R437 WeakPolarHBondContact O-CA 3.5Å; M398-R437 WeakPolarHBondContact O-CB 3.39Å; M398-R437 PolarHBondContact O-N 2.88Å; M398-R437 HydrophobicContact SD-CB 4.13Å; M398-R437 HydrophobicContact SD-CG 3.96Å; W416-R437 HydrophobicContact CB-CG 4.24Å; W416-R437 HydrophobicContact CG-CG 4.08Å
438	C	95.4	Very high	97.3	Very high	19 Å²	19	17.2 Å²	17.2	13%	0.128	8%	0.078	C	C	.	.	S	Bend	trans	76.5	-119.5	-174.1	-50.4	0	0	0	0	112.3	C425 D429 Y435 N436	C425-C438 HydrophobicContact CB-CB 3.74Å; C425-C438 WeakPolarHBondContact CB-SG 3.41Å; C425-C438 WeakPolarHBondContact SG-CA 3.31Å; C425-C438 WeakPolarHBondContact SG-CB 3.4Å; C425-C438 PolarHBondContact SG-N 3.18Å; C425-C438 CovalentContact SG-SG 2.06Å; C425-C438 PolarHBondContact SG-SG 3.46Å; D429-C438 WeakPolarHBondContact OD2-CB 3.42Å; Y435-C438 WeakPolarHBondContact CA-O 3.42Å; N436-C438 PolarHBondContact N-O 3.42Å; N436-C438 PolarHBondContact O-N 2.97Å
439	H	97.7	Very high	97.4	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.032	10%	0.101	C	C	.	.			trans	-149.1	160	-162.7	67.7	-96.7	0	0	0	115.8	T399 H401 D429 Y435 A441 D463	T399-H439 WeakPolarHBondContact CB-O 3.44Å; T399-H439 WeakPolarHBondContact CG2-O 3.31Å; H401-H439 VanDerWaalsContact CE1-CB 3.48Å; H401-H439 WeakPolarHBondContact CE1-CB 3.39Å; D429-H439 IonicContact OD1-CE1 2.7Å; D429-H439 IonicContact OD2-CE1 3.92Å; D429-H439 PolarHBondContact OD2-CE1 2.9Å; D429-H439 VanDerWaalsContact OD2-CE1 3.28Å; D429-H439 IonicContact OD2-ND1 2.83Å; D429-H439 PolarHBondContact OD2-ND1 3.4Å; Y435-H439 HydrophobicContact CD1-CB 4.11Å; Y435-H439 HydrophobicContact CE1-CB 4.21Å; H439-A441 WeakPolarHBondContact CB-O 3.46Å; H439-D463 PolarHBondContact CE1-O 3Å; H439-D463 VanDerWaalsContact CE1-O 3.31Å; H439-D463 IonicContact CE1-OD1 2.71Å; H439-D463 PolarHBondContact NE2-O 3Å; H439-D463 IonicContact NE2-OD2 3.29Å
440	S	97.8	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-111.6	-14.2	158.4	55.2	0	0	0	0	112.4	C383 T399 H401 M469	C383-S440 WeakPolarHBondContact CB-OG 3.32Å; C383-S440 PolarHBondContact O-OG 3.42Å; C383-S440 PolarHBondContact SG-O 2.9Å; T399-S440 WeakPolarHBondContact O-CB 3.37Å; T399-S440 PolarHBondContact O-N 3.02Å; T399-S440 PolarHBondContact O-OG 2.94Å; H401-S440 PolarHBondContact CD2-OG 3.33Å; H401-S440 VanDerWaalsContact CD2-OG 3.32Å; H401-S440 PolarHBondContact NE2-N 2.93Å; H401-S440 PolarHBondContact NE2-OG 3.4Å; S440-M469 VanDerWaalsContact O-CB 3.28Å; S440-M469 WeakPolarHBondContact O-CB 3.46Å; S440-M469 VanDerWaalsContact O-CG 3.29Å; S440-M469 WeakPolarHBondContact O-CG 3.26Å; S440-M469 PolarHBondContact O-N 3.49Å
441	A	98.4	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.5	169.2	0	0	0	0	0	109.7	C383 F384 H401 W433 H439 V467 W468	C383-A441 HydrophobicContact CB-CB 3.85Å; F384-A441 HydrophobicContact CE1-CB 4.14Å; H401-A441 PolarHBondContact CE1-O 3.26Å; H401-A441 VanDerWaalsContact CE1-O 3.29Å; H401-A441 PolarHBondContact NE2-N 2.9Å; H401-A441 PolarHBondContact NE2-O 2.84Å; W433-A441 PolarHBondContact NE1-O 3.46Å; H439-A441 WeakPolarHBondContact CB-O 3.46Å; A441-V467 CarbonylContact C-O 3.57Å; A441-V467 WeakPolarHBondContact CA-O 3.41Å; A441-W468 HydrophobicContact CB-CD2 3.93Å; A441-W468 HydrophobicContact CB-CE3 3.36Å; A441-W468 HydrophobicContact CB-CH2 4.28Å; A441-W468 HydrophobicContact CB-CZ3 3.56Å
442	N	98.6	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	69.1	177.2	-171	21.7	0	0	0	111.4	D429 Y435 N444 G445 G465 V466 V467	D429-N442 PolarHBondContact O-ND2 2.83Å; Y435-N442 PolarHBondContact OH-OD1 3.36Å; N442-N444 PolarHBondContact O-N 3.37Å; N442-N444 VanDerWaalsContact O-N 3.14Å; N442-G445 PolarHBondContact O-N 3.43Å; N442-G445 PolarHBondContact OD1-N 2.6Å; N442-G465 PolarHBondContact ND2-O 3.42Å; N442-V466 WeakPolarHBondContact O-CA 3.47Å; N442-V467 HydrophobicContact CB-CB 4.39Å; N442-V467 PolarHBondContact N-O 2.95Å; N442-V467 PolarHBondContact O-N 3.43Å
443	P	98.6	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.4	-178.5	-27.3	39.8	0	0	0	114.4	Q285 W433 I481	Q285-P443 PolarHBondContact NE2-O 2.83Å; W433-P443 HydrophobicContact CH2-CB 4.14Å; W433-P443 HydrophobicContact CH2-CG 3.52Å; W433-P443 HydrophobicContact CZ2-CG 3.62Å; W433-P443 HydrophobicContact CZ3-CB 4.3Å; W433-P443 HydrophobicContact CZ3-CG 4.13Å; P443-I481 HydrophobicContact CB-CD1 3.73Å; P443-I481 HydrophobicContact CB-CG1 4.42Å; P443-I481 HydrophobicContact CB-CG2 4.43Å; P443-I481 HydrophobicContact CG-CD1 3.83Å
444	N	98.8	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	8.2	-176	-72.4	-9.8	0	0	0	113.3	Q285 F294 G432 W433 N442	Q285-N444 WeakPolarHBondContact CG-OD1 3.02Å; Q285-N444 PolarHBondContact NE2-OD1 2.88Å; F294-N444 VanDerWaalsContact CB-O 3.3Å; F294-N444 WeakPolarHBondContact CB-O 3.31Å; F294-N444 HydrophobicContact CD1-CB 3.93Å; G432-N444 WeakPolarHBondContact O-CB 3.39Å; G432-N444 PolarHBondContact O-ND2 2.89Å; W433-N444 HydrophobicContact CE3-CB 4.45Å; N442-N444 PolarHBondContact O-N 3.37Å; N442-N444 VanDerWaalsContact O-N 3.14Å
445	G	98	Very high	97.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-68.1	-176.6	177.3	0	0	0	0	0	114.3	R287 N442	R287-G445 PolarHBondContact NH2-O 3.46Å; R287-G445 VanDerWaalsContact NH2-O 3.16Å; N442-G445 PolarHBondContact O-N 3.43Å; N442-G445 PolarHBondContact OD1-N 2.6Å
446	R	98.3	Very high	97.2	Very high	113 Å²	113	41.1 Å²	41.1	43%	0.426	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-70.5	139.1	179.5	-58.7	178.8	67	72.1	0.3	110.6	Y448 D464 G465 V466	R446-Y448 HydrophobicContact CB-CD2 4.44Å; R446-Y448 HydrophobicContact CB-CE2 3.89Å; R446-Y448 WeakPolarHBondContact O-CD2 3.37Å; R446-Y448 PolarHBondContact O-N 3.02Å; R446-D464 WeakPolarHBondContact CB-O 3.35Å; R446-D464 VanDerWaalsContact CD-OD2 3.22Å; R446-D464 WeakPolarHBondContact CD-OD2 3.22Å; R446-D464 PolarHBondContact N-O 2.95Å; R446-G465 CarbonylContact O-C 3.56Å; R446-G465 VanDerWaalsContact O-CA 3.32Å; R446-G465 WeakPolarHBondContact O-CA 3.3Å; R446-V466 PolarHBondContact O-N 2.84Å
447	Y	98.4	Very high	97.2	Very high	35 Å²	35	45.4 Å²	45.4	14%	0.137	24%	0.237	C	C	.	.			trans	-86.4	98.1	-176.5	-166.4	-97.3	0	0	0	111.2	L288 D289 W348 M449 V466 K479	L288-Y447 PolarHBondContact O-OH 3Å; D289-Y447 VanDerWaalsContact C-CE1 3.43Å; W348-Y447 HydrophobicContact CH2-CE1 4.02Å; W348-Y447 HydrophobicContact CZ2-CE1 4.03Å; W348-Y447 AromaticContact CZ2-CZ 3.91Å; Y447-M449 HydrophobicContact CD1-SD 3.98Å; Y447-M449 HydrophobicContact CE1-SD 3.54Å; Y447-M449 VanDerWaalsContact CE1-SD 3.54Å; Y447-V466 HydrophobicContact CD2-CG2 4.16Å; Y447-K479 WeakPolarHBondContact CE2-O 3.26Å; Y447-K479 PolarHBondContact OH-O 3.31Å
448	Y	98.3	Very high	97.3	Very high	27 Å²	27	42 Å²	42	11%	0.106	23%	0.227	C	C	.	.			trans	-87.4	112	176.4	-68.6	-87.1	0	0	0	111.8	W348 R446 G450 G451 Y453 M457 A458 D464 S477	W348-Y448 WeakPolarHBondContact CZ2-O 3.49Å; R446-Y448 HydrophobicContact CB-CD2 4.44Å; R446-Y448 HydrophobicContact CB-CE2 3.89Å; R446-Y448 WeakPolarHBondContact O-CD2 3.37Å; R446-Y448 PolarHBondContact O-N 3.02Å; Y448-G450 PolarHBondContact O-N 2.85Å; Y448-G451 PolarHBondContact O-N 2.91Å; Y448-Y453 HydrophobicContact CD1-CD2 4.47Å; Y448-Y453 HydrophobicContact CD1-CG 4.26Å; Y448-Y453 HydrophobicContact CD2-CD1 4.16Å; Y448-Y453 AromaticContact CD2-CD2 3.95Å; Y448-Y453 HydrophobicContact CD2-CD2 3.95Å; Y448-Y453 HydrophobicContact CD2-CE1 4.49Å; Y448-Y453 HydrophobicContact CD2-CE2 4.28Å; Y448-Y453 AromaticContact CD2-CG 3.88Å; Y448-Y453 HydrophobicContact CD2-CG 3.88Å; Y448-Y453 HydrophobicContact CE1-CD2 4.29Å; Y448-Y453 AromaticContact CE2-CD2 3.73Å; Y448-Y453 HydrophobicContact CE2-CD2 3.73Å; Y448-Y453 AromaticContact CE2-CE2 3.91Å; Y448-Y453 HydrophobicContact CE2-CE2 3.91Å; Y448-Y453 HydrophobicContact CE2-CG 4.15Å; Y448-Y453 HydrophobicContact CG-CD1 4.36Å; Y448-Y453 HydrophobicContact CG-CD2 4.31Å; Y448-Y453 AromaticContact CG-CG 3.94Å; Y448-Y453 HydrophobicContact CG-CG 3.94Å; Y448-Y453 AromaticContact CZ-CD2 3.92Å; Y448-M457 HydrophobicContact CD1-CE 4.24Å; Y448-M457 HydrophobicContact CE1-CB 4.35Å; Y448-A458 WeakPolarHBondContact OH-CA 3.13Å; Y448-D464 WeakPolarHBondContact CE2-OD1 3.17Å; Y448-D464 VanDerWaalsContact CZ-OD1 3.25Å; Y448-D464 VanDerWaalsContact OH-CG 3.32Å; Y448-D464 PolarHBondContact OH-OD1 3.13Å; Y448-D464 PolarHBondContact OH-OD2 3.42Å; Y448-S477 PolarHBondContact N-OG 3.45Å
449	M	97.2	Very high	97.2	Very high	138 Å²	138	48.4 Å²	48.4	68%	0.68	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	132.1	176.4	-66.3	-67.5	-70.2	0	0	111.7	W348 Y447 G451	W348-M449 HydrophobicContact CH2-CB 4.33Å; W348-M449 HydrophobicContact CH2-CE 4.02Å; W348-M449 HydrophobicContact CH2-SD 3.66Å; W348-M449 HydrophobicContact CZ2-SD 4.49Å; W348-M449 HydrophobicContact CZ3-CE 4.28Å; W348-M449 HydrophobicContact CZ3-SD 4.49Å; Y447-M449 HydrophobicContact CD1-SD 3.98Å; Y447-M449 HydrophobicContact CE1-SD 3.54Å; Y447-M449 VanDerWaalsContact CE1-SD 3.54Å; M449-G451 PolarHBondContact O-N 3.34Å
450	G	96.6	Very high	97	Very high	47 Å²	47	52.1 Å²	52.1	49%	0.485	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-5.7	-179	0	0	0	0	0	114.7	W348 Y448 A452	W348-G450 VanDerWaalsContact CE2-N 3.34Å; W348-G450 VanDerWaalsContact CZ2-N 3.25Å; Y448-G450 PolarHBondContact O-N 2.85Å; G450-A452 VanDerWaalsContact C-N 3.31Å; G450-A452 PolarHBondContact O-N 3.43Å
451	G	96.6	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	83.7	-54.6	168.8	0	0	0	0	0	114.9	W348 Y448 M449 Y453 Y476 S477	W348-G451 VanDerWaalsContact NE1-N 3.16Å; Y448-G451 PolarHBondContact O-N 2.91Å; M449-G451 PolarHBondContact O-N 3.34Å; G451-Y453 PolarHBondContact O-N 3.43Å; G451-Y476 CarbonylContact O-C 3.39Å; G451-Y476 WeakPolarHBondContact O-CA 3.31Å; G451-S477 WeakPolarHBondContact CA-O 3.38Å; G451-S477 PolarHBondContact O-N 2.98Å
452	A	97.6	Very high	96.5	Very high	72 Å²	72	54.2 Å²	54.2	60%	0.595	29%	0.288	S	S	*	.	B	Isolated β-bridge	trans	-67.6	125.4	178.4	0	0	0	0	0	111.1	G450	G450-A452 VanDerWaalsContact C-N 3.31Å; G450-A452 PolarHBondContact O-N 3.43Å
453	Y	98	Very high	96.3	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.02	30%	0.296	C	S	.	.			trans	-139.1	171.1	173.4	74.8	-72.8	0	0	0	110.3	Y448 G451 D463 G465 V467 S474 W475	Y448-Y453 HydrophobicContact CD1-CD2 4.47Å; Y448-Y453 HydrophobicContact CD1-CG 4.26Å; Y448-Y453 HydrophobicContact CD2-CD1 4.16Å; Y448-Y453 AromaticContact CD2-CD2 3.95Å; Y448-Y453 HydrophobicContact CD2-CD2 3.95Å; Y448-Y453 HydrophobicContact CD2-CE1 4.49Å; Y448-Y453 HydrophobicContact CD2-CE2 4.28Å; Y448-Y453 AromaticContact CD2-CG 3.88Å; Y448-Y453 HydrophobicContact CD2-CG 3.88Å; Y448-Y453 HydrophobicContact CE1-CD2 4.29Å; Y448-Y453 AromaticContact CE2-CD2 3.73Å; Y448-Y453 HydrophobicContact CE2-CD2 3.73Å; Y448-Y453 AromaticContact CE2-CE2 3.91Å; Y448-Y453 HydrophobicContact CE2-CE2 3.91Å; Y448-Y453 HydrophobicContact CE2-CG 4.15Å; Y448-Y453 HydrophobicContact CG-CD1 4.36Å; Y448-Y453 HydrophobicContact CG-CD2 4.31Å; Y448-Y453 AromaticContact CG-CG 3.94Å; Y448-Y453 HydrophobicContact CG-CG 3.94Å; Y448-Y453 AromaticContact CZ-CD2 3.92Å; G451-Y453 PolarHBondContact O-N 3.43Å; Y453-D463 WeakPolarHBondContact OH-CA 3.4Å; Y453-D463 VanDerWaalsContact OH-CB 3.32Å; Y453-D463 WeakPolarHBondContact OH-CB 3.3Å; Y453-D463 PolarHBondContact OH-O 3.45Å; Y453-G465 PolarHBondContact OH-N 2.78Å; Y453-G465 VanDerWaalsContact OH-N 3.15Å; Y453-V467 HydrophobicContact CE1-CG2 4.27Å; Y453-V467 VanDerWaalsContact OH-CG2 3.3Å; Y453-V467 WeakPolarHBondContact OH-CG2 3.21Å; Y453-S474 VanDerWaalsContact CE1-O 3.32Å; Y453-S474 WeakPolarHBondContact CE1-O 3.41Å; Y453-S474 VanDerWaalsContact CZ-O 3.26Å; Y453-S474 PolarHBondContact OH-O 3.27Å; Y453-W475 VanDerWaalsContact CD1-C 3.5Å; Y453-W475 WeakPolarHBondContact CD1-O 3.27Å; Y453-W475 HydrophobicContact CD2-CE3 4.04Å; Y453-W475 HydrophobicContact CD2-CZ3 4.31Å; Y453-W475 AromaticContact CE2-CE3 3.75Å; Y453-W475 HydrophobicContact CE2-CE3 3.75Å; Y453-W475 AromaticContact CE2-CZ3 3.9Å; Y453-W475 HydrophobicContact CE2-CZ3 3.9Å; Y453-W475 PolarHBondContact N-O 3.26Å
454	T	97.1	Very high	96.3	Very high	70 Å²	70	55.8 Å²	55.8	43%	0.429	30%	0.296	S	S	.	.			trans	-137	164.6	-176	64.5	0	0	0	0	110.7	K456 M457 A458	T454-K456 PolarHBondContact O-N 3.42Å; T454-K456 VanDerWaalsContact O-N 3.12Å; T454-M457 WeakPolarHBondContact O-CB 3.32Å; T454-M457 PolarHBondContact O-N 3.43Å; T454-A458 PolarHBondContact O-N 2.99Å
455	S	94.5	Very high	96.3	Very high	35 Å²	35	55.8 Å²	55.8	25%	0.245	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.6	176.4	59.9	0	0	0	0	113.2	M457 A458 G461	S455-M457 PolarHBondContact O-N 2.91Å; S455-A458 PolarHBondContact O-N 3.23Å; S455-G461 WeakPolarHBondContact CB-O 3.21Å; S455-G461 WeakPolarHBondContact O-CA 3.46Å
456	K	95.4	Very high	96.3	Very high	195 Å²	195	55.8 Å²	55.8	85%	0.848	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.8	176.9	-65.2	-179.4	-180	-179.9	0	113.9	T454	T454-K456 PolarHBondContact O-N 3.42Å; T454-K456 VanDerWaalsContact O-N 3.12Å
457	M	96.3	Very high	96.3	Very high	108 Å²	108	50.4 Å²	50.4	53%	0.532	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-27.8	177.3	-63.1	168	61.7	0	0	111.9	Y448 T454 S455	Y448-M457 HydrophobicContact CD1-CE 4.24Å; Y448-M457 HydrophobicContact CE1-CB 4.35Å; T454-M457 WeakPolarHBondContact O-CB 3.32Å; T454-M457 PolarHBondContact O-N 3.43Å; S455-M457 PolarHBondContact O-N 2.91Å
458	A	95.4	Very high	96.3	Very high	11 Å²	11	48.7 Å²	48.7	9%	0.091	27%	0.269	C	S	.	.	S	Bend	trans	-67.3	143.9	177.5	0	0	0	0	0	111.7	Y448 T454 S455 H460 G461 T462 D464	Y448-A458 WeakPolarHBondContact OH-CA 3.13Å; T454-A458 PolarHBondContact O-N 2.99Å; S455-A458 PolarHBondContact O-N 3.23Å; A458-H460 VanDerWaalsContact C-N 3.28Å; A458-H460 PolarHBondContact O-N 3.28Å; A458-G461 PolarHBondContact O-N 3.4Å; A458-T462 WeakPolarHBondContact CB-O 3.38Å; A458-D464 WeakPolarHBondContact CB-OD1 3.41Å
459	K	93.8	Very high	96.3	Very high	153 Å²	153	48 Å²	48	67%	0.665	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.5	-173.9	-173.6	179.5	171.2	-168.8	0	112	D464	K459-D464 PolarHBondContact N-OD2 3.46Å; K459-D464 VanDerWaalsContact N-OD2 3.14Å
460	H	92.6	Very high	96.3	Very high	85 Å²	85	42.7 Å²	42.7	39%	0.394	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	13.3	-178.3	-50.5	98.8	0	0	0	112.5	R427 E428 A458 T462	R427-H460 PolarHBondContact O-CE1 2.87Å; R427-H460 PolarHBondContact O-ND1 2.89Å; E428-H460 WeakPolarHBondContact CA-ND1 3.4Å; E428-H460 HydrophobicContact CB-CB 4.17Å; E428-H460 HydrophobicContact CG-CB 4.08Å; E428-H460 PolarHBondContact O-ND1 3.41Å; A458-H460 VanDerWaalsContact C-N 3.28Å; A458-H460 PolarHBondContact O-N 3.28Å; H460-T462 PolarHBondContact O-N 2.99Å
461	G	92.4	Very high	96.4	Very high	28 Å²	28	43.1 Å²	43.1	29%	0.289	23%	0.228	S	C	.	.	S	Bend	trans	75.6	3.9	-178.6	0	0	0	0	0	115.7	S455 A458	S455-G461 WeakPolarHBondContact CB-O 3.21Å; S455-G461 WeakPolarHBondContact O-CA 3.46Å; A458-G461 PolarHBondContact O-N 3.4Å
462	T	93.8	Very high	96.4	Very high	15 Å²	15	46.8 Å²	46.8	9%	0.092	24%	0.244	C	C	.	.	S	Bend	trans	-94.9	177	176.8	64.3	0	0	0	0	112.8	E428 D429 A458 H460 D464	E428-T462 HydrophobicContact CB-CG2 3.97Å; E428-T462 PolarHBondContact O-OG1 3.22Å; E428-T462 WeakPolarHBondContact OE2-CG2 3.42Å; D429-T462 PolarHBondContact OD1-OG1 3.28Å; D429-T462 VanDerWaalsContact OD1-OG1 3.04Å; A458-T462 WeakPolarHBondContact CB-O 3.38Å; H460-T462 PolarHBondContact O-N 2.99Å; T462-D464 PolarHBondContact O-N 3.47Å; T462-D464 VanDerWaalsContact O-N 3.08Å
463	D	95.5	Very high	96.3	Very high	32 Å²	32	44 Å²	44	17%	0.171	22%	0.222	C	C	.	.			trans	-82.6	61.3	176.4	47.8	-26	0	0	0	112.7	H439 Y453 G465 S474 W475	H439-D463 PolarHBondContact CE1-O 3Å; H439-D463 VanDerWaalsContact CE1-O 3.31Å; H439-D463 IonicContact CE1-OD1 2.71Å; H439-D463 PolarHBondContact NE2-O 3Å; H439-D463 IonicContact NE2-OD2 3.29Å; Y453-D463 WeakPolarHBondContact OH-CA 3.4Å; Y453-D463 VanDerWaalsContact OH-CB 3.32Å; Y453-D463 WeakPolarHBondContact OH-CB 3.3Å; Y453-D463 PolarHBondContact OH-O 3.45Å; D463-G465 PolarHBondContact O-N 3.43Å; D463-G465 VanDerWaalsContact O-N 3.09Å; D463-S474 WeakPolarHBondContact OD2-CB 3.46Å; D463-S474 PolarHBondContact OD2-OG 2.86Å; D463-W475 HydrophobicContact CB-CZ3 4.46Å
464	D	97.7	Very high	96.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.227	C	C	.	.			trans	-76.5	14.1	-175.6	69.9	-4.2	0	0	0	115.4	E428 R446 Y448 A458 K459 T462	E428-D464 WeakPolarHBondContact O-CB 3.36Å; R446-D464 WeakPolarHBondContact CB-O 3.35Å; R446-D464 VanDerWaalsContact CD-OD2 3.22Å; R446-D464 WeakPolarHBondContact CD-OD2 3.22Å; R446-D464 PolarHBondContact N-O 2.95Å; Y448-D464 WeakPolarHBondContact CE2-OD1 3.17Å; Y448-D464 VanDerWaalsContact CZ-OD1 3.25Å; Y448-D464 VanDerWaalsContact OH-CG 3.32Å; Y448-D464 PolarHBondContact OH-OD1 3.13Å; Y448-D464 PolarHBondContact OH-OD2 3.42Å; A458-D464 WeakPolarHBondContact CB-OD1 3.41Å; K459-D464 PolarHBondContact N-OD2 3.46Å; K459-D464 VanDerWaalsContact N-OD2 3.14Å; T462-D464 PolarHBondContact O-N 3.47Å; T462-D464 VanDerWaalsContact O-N 3.08Å
465	G	98.1	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-84.7	178.8	-178.9	0	0	0	0	0	114.8	N442 R446 Y453 D463 V467	N442-G465 PolarHBondContact ND2-O 3.42Å; R446-G465 CarbonylContact O-C 3.56Å; R446-G465 VanDerWaalsContact O-CA 3.32Å; R446-G465 WeakPolarHBondContact O-CA 3.3Å; Y453-G465 PolarHBondContact OH-N 2.78Å; Y453-G465 VanDerWaalsContact OH-N 3.15Å; D463-G465 PolarHBondContact O-N 3.43Å; D463-G465 VanDerWaalsContact O-N 3.09Å; G465-V467 VanDerWaalsContact C-N 3.34Å; G465-V467 PolarHBondContact O-N 2.77Å
466	V	98.6	Very high	96.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	22%	0.221	C	C	.	.	S	Bend	trans	-75.2	85.6	168.6	-176.2	0	0	0	0	109.5	N442 R446 Y447 S477 L478 I481	N442-V466 WeakPolarHBondContact O-CA 3.47Å; R446-V466 PolarHBondContact O-N 2.84Å; Y447-V466 HydrophobicContact CD2-CG2 4.16Å; V466-S477 PolarHBondContact N-OG 2.9Å; V466-S477 VanDerWaalsContact N-OG 3.16Å; V466-S477 CarbonylContact O-C 3.54Å; V466-S477 WeakPolarHBondContact O-CA 3.46Å; V466-L478 HydrophobicContact CG1-CB 4.06Å; V466-L478 WeakPolarHBondContact O-CG 3.26Å; V466-L478 PolarHBondContact O-N 3.45Å; V466-I481 HydrophobicContact CG1-CB 4.3Å; V466-I481 HydrophobicContact CG1-CG2 3.44Å; V466-I481 VanDerWaalsContact CG1-CG2 3.44Å
467	V	98.4	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.2	-164.8	171.6	0	0	0	0	112.8	A441 N442 Y453 G465 M469 S474	A441-V467 CarbonylContact C-O 3.57Å; A441-V467 WeakPolarHBondContact CA-O 3.41Å; N442-V467 HydrophobicContact CB-CB 4.39Å; N442-V467 PolarHBondContact N-O 2.95Å; N442-V467 PolarHBondContact O-N 3.43Å; Y453-V467 HydrophobicContact CE1-CG2 4.27Å; Y453-V467 VanDerWaalsContact OH-CG2 3.3Å; Y453-V467 WeakPolarHBondContact OH-CG2 3.21Å; G465-V467 VanDerWaalsContact C-N 3.34Å; G465-V467 PolarHBondContact O-N 2.77Å; V467-M469 HydrophobicContact CG1-CG 3.66Å; V467-S474 WeakPolarHBondContact CG2-O 3.38Å
468	W	98.5	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	95	161.5	-162.6	-87.5	0	0	0	108.9	I343 M345 A355 A380 G381 C383 F384 A441 N470 W471 K472 L478 I481	I343-W468 HydrophobicContact CD1-CH2 3.85Å; I343-W468 HydrophobicContact CD1-CZ3 4.06Å; I343-W468 HydrophobicContact CG2-CZ3 4.22Å; M345-W468 HydrophobicContact CE-CD2 3.7Å; M345-W468 HydrophobicContact CE-CE3 4.01Å; M345-W468 HydrophobicContact CE-CG 4.04Å; M345-W468 HydrophobicContact CE-CZ2 4.24Å; M345-W468 HydrophobicContact CE-CZ3 4.43Å; M345-W468 HydrophobicContact SD-CB 3.63Å; M345-W468 HydrophobicContact SD-CD2 3.47Å; M345-W468 HydrophobicContact SD-CE3 3.62Å; M345-W468 HydrophobicContact SD-CG 3.49Å; M345-W468 HydrophobicContact SD-CZ3 4.46Å; A355-W468 HydrophobicContact CB-CH2 4.18Å; A355-W468 HydrophobicContact CB-CZ2 3.8Å; A380-W468 PolarHBondContact O-NE1 3.04Å; G381-W468 WeakPolarHBondContact O-CZ2 3.15Å; G381-W468 PolarHBondContact O-NE1 3.01Å; G381-W468 VanDerWaalsContact O-NE1 3.14Å; C383-W468 HydrophobicContact CB-CD2 4.47Å; C383-W468 HydrophobicContact CB-CH2 4.23Å; C383-W468 HydrophobicContact CB-CZ2 3.8Å; C383-W468 VanDerWaalsContact SG-CE2 3.59Å; C383-W468 PolarHBondContact SG-NE1 3.12Å; C383-W468 VanDerWaalsContact SG-NE1 3.43Å; F384-W468 HydrophobicContact CD1-CH2 4.1Å; F384-W468 AromaticContact CE1-CH2 3.73Å; F384-W468 HydrophobicContact CE1-CH2 3.73Å; F384-W468 AromaticContact CE1-CZ3 3.81Å; F384-W468 HydrophobicContact CE1-CZ3 3.81Å; F384-W468 HydrophobicContact CZ-CH2 4.14Å; F384-W468 HydrophobicContact CZ-CZ3 4.2Å; A441-W468 HydrophobicContact CB-CD2 3.93Å; A441-W468 HydrophobicContact CB-CE3 3.36Å; A441-W468 HydrophobicContact CB-CH2 4.28Å; A441-W468 HydrophobicContact CB-CZ3 3.56Å; W468-N470 VanDerWaalsContact C-N 3.28Å; W468-N470 PolarHBondContact O-N 3.01Å; W468-W471 PolarHBondContact O-N 3.01Å; W468-K472 PolarHBondContact O-N 3.22Å; W468-L478 HydrophobicContact CB-CD1 4.17Å; W468-I481 HydrophobicContact CE3-CD1 4.35Å
469	M	97.9	Very high	96.8	Very high	11 Å²	11	35.2 Å²	35.2	5%	0.054	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-38.8	-166	-67.2	178.3	71.4	0	0	112.3	A388 E390 L391 S440 V467 W471 G473 S474	A388-M469 HydrophobicContact CB-CB 4.1Å; A388-M469 HydrophobicContact CB-CE 3.69Å; A388-M469 HydrophobicContact CB-SD 3.75Å; E390-M469 HydrophobicContact CG-CE 4.19Å; E390-M469 WeakPolarHBondContact OE1-CE 3.38Å; L391-M469 HydrophobicContact CD1-CE 3.67Å; S440-M469 VanDerWaalsContact O-CB 3.28Å; S440-M469 WeakPolarHBondContact O-CB 3.46Å; S440-M469 VanDerWaalsContact O-CG 3.29Å; S440-M469 WeakPolarHBondContact O-CG 3.26Å; S440-M469 PolarHBondContact O-N 3.49Å; V467-M469 HydrophobicContact CG1-CG 3.66Å; M469-W471 PolarHBondContact O-N 3.11Å; M469-G473 WeakPolarHBondContact O-CA 3.39Å; M469-G473 PolarHBondContact O-N 3.19Å; M469-S474 VanDerWaalsContact CE-OG 3.29Å; M469-S474 WeakPolarHBondContact CE-OG 3.02Å
470	N	97.5	Very high	97	Very high	27 Å²	27	29 Å²	29	14%	0.144	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-9.5	-179	-70.3	-12.1	0	0	0	114.4	C383 G387 A388 L389 W468	C383-N470 PolarHBondContact N-ND2 3.24Å; C383-N470 PolarHBondContact SG-ND2 3.3Å; G387-N470 PolarHBondContact O-ND2 3.34Å; G387-N470 PolarHBondContact O-OD1 2.87Å; A388-N470 WeakPolarHBondContact CA-OD1 3.5Å; L389-N470 WeakPolarHBondContact CB-OD1 3.38Å; L389-N470 HydrophobicContact CD1-CB 4Å; L389-N470 WeakPolarHBondContact CG-OD1 3.31Å; L389-N470 PolarHBondContact N-OD1 3.32Å; W468-N470 VanDerWaalsContact C-N 3.28Å; W468-N470 PolarHBondContact O-N 3.01Å
471	W	97.9	Very high	97.3	Very high	57 Å²	57	25 Å²	25	22%	0.216	13%	0.126	C	C	.	.	H	α-helix	trans	-110.9	-49.1	176.1	-178.9	36.6	0	0	0	113.6	M345 D347 A351 V353 W468 M469 L478	M345-W471 HydrophobicContact CB-CE3 4.33Å; M345-W471 HydrophobicContact CB-CZ3 3.87Å; D347-W471 HydrophobicContact CB-CH2 3.55Å; D347-W471 HydrophobicContact CB-CZ2 4Å; D347-W471 HydrophobicContact CB-CZ3 4.24Å; A351-W471 HydrophobicContact CB-CZ2 4.23Å; A351-W471 WeakPolarHBondContact O-CH2 3.41Å; V353-W471 HydrophobicContact CG1-CD2 4.2Å; V353-W471 HydrophobicContact CG1-CG 4.49Å; V353-W471 HydrophobicContact CG1-CZ2 3.98Å; V353-W471 HydrophobicContact CG2-CD2 3.48Å; V353-W471 VanDerWaalsContact CG2-CD2 3.48Å; V353-W471 HydrophobicContact CG2-CE3 3.45Å; V353-W471 VanDerWaalsContact CG2-CE3 3.45Å; V353-W471 HydrophobicContact CG2-CG 4.05Å; V353-W471 HydrophobicContact CG2-CH2 3.96Å; V353-W471 HydrophobicContact CG2-CZ2 4.03Å; V353-W471 HydrophobicContact CG2-CZ3 3.68Å; W468-W471 PolarHBondContact O-N 3.01Å; M469-W471 PolarHBondContact O-N 3.11Å; W471-L478 HydrophobicContact CE3-CD1 4.49Å; W471-L478 HydrophobicContact CE3-CD2 3.56Å; W471-L478 HydrophobicContact CH2-CD2 4.35Å; W471-L478 HydrophobicContact CZ3-CD1 4.39Å; W471-L478 HydrophobicContact CZ3-CD2 3.31Å; W471-L478 HydrophobicContact CZ3-CG 4.45Å
472	K	97.4	Very high	97.6	Very high	77 Å²	77	24.4 Å²	24.4	34%	0.335	12%	0.118	S	C	.	.	H	α-helix	trans	-125.8	2.3	-172.6	-63.6	-69.5	-170.3	172.5	0	114.7	D347 W468 Y476 L478	D347-K472 WeakPolarHBondContact OD2-CE 3.31Å; D347-K472 IonicContact OD2-NZ 3.07Å; D347-K472 PolarHBondContact OD2-NZ 3.36Å; W468-K472 PolarHBondContact O-N 3.22Å; K472-Y476 HydrophobicContact CB-CD1 3.61Å; K472-Y476 HydrophobicContact CB-CE1 4.48Å; K472-Y476 HydrophobicContact CB-CG 3.71Å; K472-Y476 HydrophobicContact CD-CD1 4.28Å; K472-Y476 HydrophobicContact CD-CE1 4.39Å; K472-Y476 HydrophobicContact CG-CD1 3.68Å; K472-Y476 HydrophobicContact CG-CE1 4.07Å; K472-Y476 HydrophobicContact CG-CG 4.15Å; K472-L478 HydrophobicContact CG-CD2 4.42Å
473	G	95.5	Very high	97.9	Very high	13 Å²	13	23.7 Å²	23.7	13%	0.134	11%	0.113	C	C	.	.			trans	72.3	178.6	-174.3	0	0	0	0	0	113.5	M469 W475	M469-G473 WeakPolarHBondContact O-CA 3.39Å; M469-G473 PolarHBondContact O-N 3.19Å; G473-W475 PolarHBondContact O-N 3.22Å
474	S	95.9	Very high	98	Very high	18 Å²	18	22.3 Å²	22.3	13%	0.126	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-39.8	-178.4	-71.5	0	0	0	0	115	Y453 D463 V467 M469 Y476	Y453-S474 VanDerWaalsContact CE1-O 3.32Å; Y453-S474 WeakPolarHBondContact CE1-O 3.41Å; Y453-S474 VanDerWaalsContact CZ-O 3.26Å; Y453-S474 PolarHBondContact OH-O 3.27Å; D463-S474 WeakPolarHBondContact OD2-CB 3.46Å; D463-S474 PolarHBondContact OD2-OG 2.86Å; V467-S474 WeakPolarHBondContact CG2-O 3.38Å; M469-S474 VanDerWaalsContact CE-OG 3.29Å; M469-S474 WeakPolarHBondContact CE-OG 3.02Å; S474-Y476 VanDerWaalsContact C-N 3.3Å; S474-Y476 PolarHBondContact O-N 3.4Å
475	W	97.4	Very high	98.1	Very high	103 Å²	103	22.5 Å²	22.5	39%	0.39	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	27.3	-165.9	-58.9	108.8	0	0	0	114	Y453 D463 G473	Y453-W475 VanDerWaalsContact CD1-C 3.5Å; Y453-W475 WeakPolarHBondContact CD1-O 3.27Å; Y453-W475 HydrophobicContact CD2-CE3 4.04Å; Y453-W475 HydrophobicContact CD2-CZ3 4.31Å; Y453-W475 AromaticContact CE2-CE3 3.75Å; Y453-W475 HydrophobicContact CE2-CE3 3.75Å; Y453-W475 AromaticContact CE2-CZ3 3.9Å; Y453-W475 HydrophobicContact CE2-CZ3 3.9Å; Y453-W475 PolarHBondContact N-O 3.26Å; D463-W475 HydrophobicContact CB-CZ3 4.46Å; G473-W475 PolarHBondContact O-N 3.22Å
476	Y	98.3	Very high	98	Very high	38 Å²	38	24.1 Å²	24.1	15%	0.149	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-133.6	112.1	178	-167.7	-83.4	0	0	0	111.6	D347 W348 G451 K472 S474 L478	D347-Y476 HydrophobicContact CB-CE1 3.86Å; D347-Y476 WeakPolarHBondContact CB-OH 3.28Å; W348-Y476 AromaticContact CD1-CZ 3.88Å; W348-Y476 PolarHBondContact N-OH 3.35Å; G451-Y476 CarbonylContact O-C 3.39Å; G451-Y476 WeakPolarHBondContact O-CA 3.31Å; K472-Y476 HydrophobicContact CB-CD1 3.61Å; K472-Y476 HydrophobicContact CB-CE1 4.48Å; K472-Y476 HydrophobicContact CB-CG 3.71Å; K472-Y476 HydrophobicContact CD-CD1 4.28Å; K472-Y476 HydrophobicContact CD-CE1 4.39Å; K472-Y476 HydrophobicContact CG-CD1 3.68Å; K472-Y476 HydrophobicContact CG-CE1 4.07Å; K472-Y476 HydrophobicContact CG-CG 4.15Å; S474-Y476 VanDerWaalsContact C-N 3.3Å; S474-Y476 PolarHBondContact O-N 3.4Å; Y476-L478 HydrophobicContact CD1-CD2 4.11Å; Y476-L478 HydrophobicContact CE1-CD2 4.15Å
477	S	98.5	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.			trans	-84.4	126.9	173.4	-170.6	0	0	0	0	110.7	W348 Y448 G451 V466	W348-S477 PolarHBondContact NE1-O 3.36Å; Y448-S477 PolarHBondContact N-OG 3.45Å; G451-S477 WeakPolarHBondContact CA-O 3.38Å; G451-S477 PolarHBondContact O-N 2.98Å; V466-S477 PolarHBondContact N-OG 2.9Å; V466-S477 VanDerWaalsContact N-OG 3.16Å; V466-S477 CarbonylContact O-C 3.54Å; V466-S477 WeakPolarHBondContact O-CA 3.46Å
478	L	98.6	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.			trans	-66.1	151.8	177.9	-60.2	179.9	0	0	0	111.8	M345 V466 W468 W471 K472 Y476 I481	M345-L478 HydrophobicContact CB-CD1 3.85Å; M345-L478 HydrophobicContact CG-CD1 3.61Å; M345-L478 HydrophobicContact SD-CD1 3.67Å; V466-L478 HydrophobicContact CG1-CB 4.06Å; V466-L478 WeakPolarHBondContact O-CG 3.26Å; V466-L478 PolarHBondContact O-N 3.45Å; W468-L478 HydrophobicContact CB-CD1 4.17Å; W471-L478 HydrophobicContact CE3-CD1 4.49Å; W471-L478 HydrophobicContact CE3-CD2 3.56Å; W471-L478 HydrophobicContact CH2-CD2 4.35Å; W471-L478 HydrophobicContact CZ3-CD1 4.39Å; W471-L478 HydrophobicContact CZ3-CD2 3.31Å; W471-L478 HydrophobicContact CZ3-CG 4.45Å; K472-L478 HydrophobicContact CG-CD2 4.42Å; Y476-L478 HydrophobicContact CD1-CD2 4.11Å; Y476-L478 HydrophobicContact CE1-CD2 4.15Å; L478-I481 HydrophobicContact CD1-CB 4.45Å; L478-I481 HydrophobicContact CD1-CD1 4.18Å
479	K	98.6	Very high	96.9	Very high	81 Å²	81	34.6 Å²	34.6	35%	0.352	16%	0.159	S	C	.	.	S	Bend	trans	-80.5	-39.6	174.6	-178	-178	173.7	-177.6	0	110.9	Q346 W348 Y447	Q346-K479 PolarHBondContact O-N 2.89Å; W348-K479 HydrophobicContact CD2-CB 3.83Å; W348-K479 HydrophobicContact CD2-CD 4.31Å; W348-K479 HydrophobicContact CD2-CG 4.08Å; W348-K479 HydrophobicContact CE3-CB 4.4Å; W348-K479 HydrophobicContact CE3-CD 4.11Å; W348-K479 HydrophobicContact CE3-CG 4.15Å; W348-K479 HydrophobicContact CG-CB 3.99Å; W348-K479 HydrophobicContact CH2-CG 4.32Å; W348-K479 HydrophobicContact CZ2-CB 4.22Å; W348-K479 HydrophobicContact CZ2-CG 4.29Å; W348-K479 HydrophobicContact CZ3-CD 4.47Å; W348-K479 HydrophobicContact CZ3-CG 4.27Å; Y447-K479 WeakPolarHBondContact CE2-O 3.26Å; Y447-K479 PolarHBondContact OH-O 3.31Å
480	A	98.6	Very high	95.7	Very high	22 Å²	22	37.8 Å²	37.8	18%	0.182	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.7	172.8	0	0	0	0	0	110.2	R287 M345 Q346	R287-A480 WeakPolarHBondContact O-CA 3.2Å; M345-A480 CarbonylContact C-O 3.47Å; M345-A480 WeakPolarHBondContact CA-O 3.33Å; Q346-A480 HydrophobicContact CB-CB 4.01Å; Q346-A480 PolarHBondContact N-O 2.94Å; Q346-A480 PolarHBondContact O-N 3.21Å; Q346-A480 VanDerWaalsContact O-N 3.1Å
481	I	98.8	Very high	94	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	136.9	167	-174.5	160.4	0	0	0	107.8	Q285 N286 R287 I343 E344 M345 P443 V466 W468 L478	Q285-I481 PolarHBondContact OE1-O 3.42Å; N286-I481 CarbonylContact C-O 3.57Å; R287-I481 HydrophobicContact CB-CG2 3.71Å; R287-I481 HydrophobicContact CG-CG2 3.65Å; R287-I481 PolarHBondContact N-O 3.33Å; R287-I481 PolarHBondContact O-N 3.23Å; I343-I481 HydrophobicContact CG2-CD1 4.07Å; I343-I481 HydrophobicContact CG2-CG1 4.03Å; E344-I481 CarbonylContact O-C 3.48Å; E344-I481 VanDerWaalsContact O-CA 3.28Å; E344-I481 WeakPolarHBondContact O-CA 3.33Å; M345-I481 HydrophobicContact CG-CB 4.17Å; M345-I481 HydrophobicContact CG-CD1 3.61Å; M345-I481 HydrophobicContact CG-CG1 3.65Å; M345-I481 HydrophobicContact SD-CD1 3.89Å; P443-I481 HydrophobicContact CB-CD1 3.73Å; P443-I481 HydrophobicContact CB-CG1 4.42Å; P443-I481 HydrophobicContact CB-CG2 4.43Å; P443-I481 HydrophobicContact CG-CD1 3.83Å; V466-I481 HydrophobicContact CG1-CB 4.3Å; V466-I481 HydrophobicContact CG1-CG2 3.44Å; V466-I481 VanDerWaalsContact CG1-CG2 3.44Å; W468-I481 HydrophobicContact CE3-CD1 4.35Å; L478-I481 HydrophobicContact CD1-CB 4.45Å; L478-I481 HydrophobicContact CD1-CD1 4.18Å
482	S	98.7	Very high	91.1	Very high	16 Å²	16	54.4 Å²	54.4	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.8	174.3	60.9	0	0	0	0	109.9	Q285 N286 I343 E344	Q285-S482 WeakPolarHBondContact O-CA 3.28Å; N286-S482 WeakPolarHBondContact OD1-CB 3.08Å; I343-S482 CarbonylContact C-O 3.56Å; I343-S482 VanDerWaalsContact CA-O 3.24Å; I343-S482 WeakPolarHBondContact CA-O 3.37Å; E344-S482 PolarHBondContact N-O 3.36Å; E344-S482 PolarHBondContact O-N 2.88Å
483	M	98.8	Very high	90.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.5	170.7	-54.1	176.6	62.1	0	0	108.3	I284 Q285 I343 F384 W433 W434	I284-M483 HydrophobicContact CD1-CB 4.25Å; I284-M483 HydrophobicContact CG1-CB 3.88Å; I284-M483 WeakPolarHBondContact CG1-O 3.32Å; I284-M483 PolarHBondContact N-O 2.96Å; Q285-M483 HydrophobicContact CB-CB 3.93Å; Q285-M483 HydrophobicContact CB-CG 4.03Å; Q285-M483 HydrophobicContact CB-SD 4.08Å; Q285-M483 HydrophobicContact CG-SD 4.44Å; Q285-M483 PolarHBondContact N-O 3.06Å; Q285-M483 PolarHBondContact O-N 3.18Å; I343-M483 HydrophobicContact CD1-CE 4.15Å; I343-M483 HydrophobicContact CD1-CG 4.49Å; I343-M483 HydrophobicContact CG1-CE 4.45Å; I343-M483 HydrophobicContact CG1-CG 4.1Å; I343-M483 HydrophobicContact CG2-CG 4.27Å; F384-M483 HydrophobicContact CZ-CE 4.47Å; W433-M483 HydrophobicContact CH2-CE 3.96Å; W433-M483 HydrophobicContact CH2-SD 3.66Å; W433-M483 HydrophobicContact CZ3-SD 3.96Å; W434-M483 HydrophobicContact CZ3-CE 4.32Å
484	K	98.6	Very high	90.6	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.4	-180	60.2	-164.3	179.8	-167.5	0	111.4	D273 T276 W281 V282 L283 V341 L342 E344	D273-K484 IonicContact OD2-NZ 3.54Å; D273-K484 PolarHBondContact OD2-NZ 3.09Å; T276-K484 PolarHBondContact OG1-NZ 2.86Å; W281-K484 HydrophobicContact CB-CB 4.09Å; W281-K484 HydrophobicContact CB-CD 3.87Å; W281-K484 HydrophobicContact CB-CG 4.04Å; W281-K484 HydrophobicContact CD2-CD 4.26Å; W281-K484 HydrophobicContact CD2-CG 3.95Å; W281-K484 HydrophobicContact CE3-CB 4.21Å; W281-K484 HydrophobicContact CE3-CG 3.72Å; W281-K484 HydrophobicContact CG-CD 3.98Å; W281-K484 HydrophobicContact CG-CG 4.11Å; W281-K484 HydrophobicContact CZ3-CG 4.48Å; V282-K484 CarbonylContact O-C 3.37Å; V282-K484 WeakPolarHBondContact O-CA 3.25Å; V282-K484 WeakPolarHBondContact O-CB 3.29Å; L283-K484 HydrophobicContact CD1-CB 4.29Å; V341-K484 CarbonylContact C-O 3.51Å; V341-K484 WeakPolarHBondContact CA-O 3.39Å; V341-K484 WeakPolarHBondContact CG2-O 3.4Å; L342-K484 HydrophobicContact CB-CG 4.06Å; L342-K484 HydrophobicContact CG-CG 4.45Å; L342-K484 PolarHBondContact N-O 2.93Å; L342-K484 PolarHBondContact O-N 3.48Å; E344-K484 VanDerWaalsContact CD-NZ 3.32Å; E344-K484 IonicContact OE1-NZ 2.73Å; E344-K484 WeakPolarHBondContact OE2-CE 3.31Å; E344-K484 IonicContact OE2-NZ 3.28Å; E344-K484 PolarHBondContact OE2-NZ 2.82Å
485	I	98.6	Very high	90.3	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153.1	-175.9	63.2	176.3	0	0	0	111.8	V282 I284 I330 L333 T339 E340 V341 F360	V282-I485 HydrophobicContact CB-CG1 4.05Å; V282-I485 PolarHBondContact N-O 2.97Å; V282-I485 PolarHBondContact O-N 2.84Å; I284-I485 HydrophobicContact CD1-CG2 3.74Å; I284-I485 HydrophobicContact CG1-CG2 4.36Å; I284-I485 HydrophobicContact CG2-CD1 3.81Å; I284-I485 HydrophobicContact CG2-CG1 3.76Å; I330-I485 HydrophobicContact CG2-CD1 4.34Å; L333-I485 HydrophobicContact CB-CD1 3.75Å; L333-I485 HydrophobicContact CD1-CD1 4.12Å; T339-I485 HydrophobicContact CG2-CB 3.81Å; T339-I485 HydrophobicContact CG2-CD1 4.34Å; T339-I485 HydrophobicContact CG2-CG1 4.49Å; T339-I485 HydrophobicContact CG2-CG2 4.32Å; E340-I485 WeakPolarHBondContact O-CA 3.28Å; V341-I485 HydrophobicContact CB-CG2 3.89Å; V341-I485 HydrophobicContact CG2-CG2 3.81Å; F360-I485 HydrophobicContact CD1-CG2 3.76Å; F360-I485 HydrophobicContact CE1-CG2 3.83Å
486	R	96.9	Very high	89.9	Confident	34 Å²	34	54.8 Å²	54.8	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150.1	177.1	-175.4	175	65.5	-173.2	-2.6	110.1	E244 Q277 G279 G280 W281 T339 E340 F488	E244-R486 HydrophobicContact CB-CG 4.21Å; Q277-R486 PolarHBondContact O-NH1 3.02Å; G279-R486 WeakPolarHBondContact O-CD 3.44Å; G279-R486 PolarHBondContact O-NH1 3.12Å; G280-R486 WeakPolarHBondContact O-CG 2.86Å; W281-R486 HydrophobicContact CD2-CB 4.03Å; W281-R486 HydrophobicContact CE3-CB 3.6Å; W281-R486 HydrophobicContact CH2-CB 4.31Å; W281-R486 HydrophobicContact CZ3-CB 3.76Å; T339-R486 WeakPolarHBondContact CA-O 3.43Å; E340-R486 HydrophobicContact CG-CB 4.21Å; E340-R486 WeakPolarHBondContact CG-O 3.5Å; E340-R486 PolarHBondContact N-O 2.88Å; E340-R486 PolarHBondContact O-N 3.46Å; E340-R486 IonicContact OE1-CZ 3.83Å; E340-R486 VanDerWaalsContact OE1-CZ 3.28Å; E340-R486 IonicContact OE1-NE 2.92Å; E340-R486 PolarHBondContact OE1-NE 2.8Å; E340-R486 IonicContact OE1-NH2 3.6Å; E340-R486 PolarHBondContact OE1-NH2 3.49Å; R486-F488 PolarHBondContact O-N 2.92Å
487	P	95.9	Very high	89.4	Confident	28 Å²	28	55.9 Å²	55.9	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	131.2	169.6	-25.3	35.4	0	0	0	112.1	E242 E244 P338 Y489	E242-P487 HydrophobicContact CG-CG 4.25Å; E244-P487 HydrophobicContact CB-CG 4.47Å; P338-P487 CarbonylContact O-C 3.53Å; P338-P487 WeakPolarHBondContact O-CA 3.49Å; P487-Y489 HydrophobicContact CB-CE2 3.9Å
488	F	92	Very high	88.7	Confident	59 Å²	59	59.6 Å²	59.6	26%	0.259	30%	0.296	S	S	.	.			trans	-94.2	127	176.5	-177.2	-104.9	0	0	0	110.7	P338 E340 Q358 R486 A490	P338-F488 HydrophobicContact CB-CB 4.3Å; P338-F488 PolarHBondContact O-N 3.44Å; E340-F488 HydrophobicContact CB-CB 4.22Å; E340-F488 HydrophobicContact CB-CD2 4.32Å; E340-F488 HydrophobicContact CG-CB 4.33Å; E340-F488 HydrophobicContact CG-CD2 4.46Å; Q358-F488 HydrophobicContact CB-CE2 4.35Å; Q358-F488 HydrophobicContact CB-CZ 4.39Å; Q358-F488 HydrophobicContact CG-CE2 4.15Å; Q358-F488 HydrophobicContact CG-CZ 4.33Å; R486-F488 PolarHBondContact O-N 2.92Å; F488-A490 HydrophobicContact CE1-CB 4.17Å
489	Y	84.4	Confident	88	Confident	135 Å²	135	63.9 Å²	63.9	53%	0.529	32%	0.317	S	S	.	.			trans	-115.5	109.8	174.1	-56.6	-80.4	0	0	0	108.5	P487 S491	P487-Y489 HydrophobicContact CB-CE2 3.9Å; Y489-S491 PolarHBondContact O-N 3.04Å
490	A	72.2	Confident	87.2	Confident	77 Å²	77	62.5 Å²	62.5	64%	0.636	31%	0.314	S	S	*	.			trans	-61.3	123	172.6	0	0	0	0	0	108.9	F488 R492	F488-A490 HydrophobicContact CE1-CB 4.17Å; A490-R492 PolarHBondContact O-N 2.93Å; A490-R492 VanDerWaalsContact O-N 3.1Å
491	S	62.3	Low	86.3	Confident	119 Å²	119	65.9 Å²	65.9	83%	0.832	33%	0.326	S	S	*	.			trans	-60.6	114	168.8	52.3	0	0	0	0	107.9	Y489	Y489-S491 PolarHBondContact O-N 3.04Å
492	R	38.3	Very low	85.1	Confident	315 Å²	315	71.8 Å²	71.8	100%	1.189	36%	0.355	S	S	*	.			trans	-67.8	0	172.8	-85.7	-172.2	176.9	-177.3	-0.5	111.6	A490	A490-R492 PolarHBondContact O-N 2.93Å; A490-R492 VanDerWaalsContact O-N 3.1Å

Retrieved 492 of 492 residues in 904.5 ms (Link to these results)

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