A0A093K921_STRCA Loading...

Noelin-3

AlphaFold DB , UniProt , Accession A0A093K921, Species STRCA (Struthio camelus australis), Gene n/a, Length 478 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	36.1	Very low	33.1	Very low	246 Å²	246	114.6 Å²	114.6	100%	1.212	66%	0.656	S	S	*	*				0	117.5	0	-74	168.3	74	0	0	107.9
2	S	35.2	Very low	33.2	Very low	76 Å²	76	115 Å²	115	53%	0.531	65%	0.653	S	S	.	*			trans	-82.9	149.7	-172.2	32.1	0	0	0	0	111.9	P4	S2-P4 VanDerWaalsContact O-CD 3.28Å; S2-P4 WeakPolarHBondContact O-CD 3.4Å
3	P	36.3	Very low	33	Very low	106 Å²	106	111.6 Å²	111.6	69%	0.688	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-8.6	-174	26.5	-33.7	0	0	0	119
4	P	35	Very low	33	Very low	81 Å²	81	109 Å²	109	53%	0.526	63%	0.628	S	S	.	*	H	α-helix	trans	-78.5	-18.1	179.7	24.1	-21.9	0	0	0	114.4	S2	S2-P4 VanDerWaalsContact O-CD 3.28Å; S2-P4 WeakPolarHBondContact O-CD 3.4Å
5	L	33.5	Very low	32.9	Very low	135 Å²	135	110.3 Å²	110.3	71%	0.707	63%	0.629	S	S	*	*	H	α-helix	trans	-74.4	-30.6	178.8	-79	158.4	0	0	0	113	K7 L8 G9	L5-K7 VanDerWaalsContact C-N 3.34Å; L5-L8 PolarHBondContact O-N 3.45Å; L5-G9 PolarHBondContact O-N 2.95Å
6	L	31.3	Very low	33.1	Very low	144 Å²	144	106.9 Å²	106.9	75%	0.754	62%	0.619	S	S	*	*	H	α-helix	trans	-70.5	-28.4	175.6	-97	135.7	0	0	0	112.8	A10	L6-A10 PolarHBondContact O-N 3.39Å
7	K	31.6	Very low	32.9	Very low	165 Å²	165	108.4 Å²	108.4	72%	0.717	62%	0.62	S	S	*	*	H	α-helix	trans	-76	-28.1	176.6	-73.5	-172.7	175.9	-176.9	0	113.1	L5 V11	L5-K7 VanDerWaalsContact C-N 3.34Å; K7-V11 WeakPolarHBondContact O-CG2 3.48Å
8	L	32.1	Very low	32.8	Very low	121 Å²	121	107.7 Å²	107.7	63%	0.634	61%	0.613	S	S	*	*	H	α-helix	trans	-71.7	-35.8	171.2	-102.7	95.3	0	0	0	112.4	L5 V11 L12	L5-L8 PolarHBondContact O-N 3.45Å; L8-V11 PolarHBondContact O-N 2.84Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 2.84Å
9	G	31.8	Very low	32.9	Very low	43 Å²	43	105.7 Å²	105.7	44%	0.443	61%	0.607	S	S	.	*	H	α-helix	trans	-64.7	-37.5	177.9	0	0	0	0	0	113.8	L5 S13	L5-G9 PolarHBondContact O-N 2.95Å; G9-S13 PolarHBondContact O-N 2.9Å
10	A	30.2	Very low	32.9	Very low	60 Å²	60	105 Å²	105	50%	0.496	60%	0.601	S	S	.	*	H	α-helix	trans	-71.9	-30.3	178	0	0	0	0	0	113.5	L6 T14	L6-A10 PolarHBondContact O-N 3.39Å; A10-T14 PolarHBondContact O-N 2.78Å; A10-T14 PolarHBondContact O-OG1 2.89Å
11	V	31.6	Very low	32.9	Very low	84 Å²	84	108.4 Å²	108.4	51%	0.509	60%	0.604	S	S	.	*	H	α-helix	trans	-75.7	-32.8	177.3	175.2	0	0	0	0	111.6	K7 L8 T14 M15	K7-V11 WeakPolarHBondContact O-CG2 3.48Å; L8-V11 PolarHBondContact O-N 2.84Å; V11-T14 PolarHBondContact O-OG1 2.87Å; V11-M15 WeakPolarHBondContact O-CG 3.36Å; V11-M15 PolarHBondContact O-N 3.44Å
12	L	33.7	Very low	32.6	Very low	119 Å²	119	101.9 Å²	101.9	62%	0.623	57%	0.572	S	S	*	*	H	α-helix	trans	-71.3	-33.6	175.4	-74.4	163.3	0	0	0	112.8	L8 A16	L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 2.84Å; L12-A16 PolarHBondContact O-N 2.86Å
13	S	30.3	Very low	32.5	Very low	71 Å²	71	102.3 Å²	102.3	50%	0.497	58%	0.575	S	S	.	*	H	α-helix	trans	-73.5	-34.3	179.6	-166.6	0	0	0	0	113.1	G9 M17	G9-S13 PolarHBondContact O-N 2.9Å; S13-M17 PolarHBondContact O-N 3.09Å
14	T	33.4	Very low	32.6	Very low	75 Å²	75	103.7 Å²	103.7	46%	0.46	57%	0.572	S	S	.	*	H	α-helix	trans	-73.9	-31.4	175.1	41.8	0	0	0	0	112.5	A10 V11 M17 I18	A10-T14 PolarHBondContact O-N 2.78Å; A10-T14 PolarHBondContact O-OG1 2.89Å; V11-T14 PolarHBondContact O-OG1 2.87Å; T14-M17 PolarHBondContact O-N 2.73Å; T14-I18 WeakPolarHBondContact O-CG1 3.48Å; T14-I18 PolarHBondContact O-N 2.68Å
15	M	32.3	Very low	32.8	Very low	128 Å²	128	102.7 Å²	102.7	63%	0.631	57%	0.565	S	S	*	*	H	α-helix	trans	-68.4	-36.2	172.8	-76.9	-173.4	150.5	0	0	113.2	V11 I18 S19	V11-M15 WeakPolarHBondContact O-CG 3.36Å; V11-M15 PolarHBondContact O-N 3.44Å; M15-I18 PolarHBondContact O-N 3.23Å; M15-S19 PolarHBondContact O-N 2.74Å; M15-S19 VanDerWaalsContact O-N 3.15Å; M15-S19 PolarHBondContact O-OG 2.87Å
16	A	34.7	Very low	32.6	Very low	57 Å²	57	101.4 Å²	101.4	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-66.1	-36.3	175.7	0	0	0	0	0	112.8	L12 S19 N20	L12-A16 PolarHBondContact O-N 2.86Å; A16-S19 WeakPolarHBondContact CA-OG 3.29Å; A16-S19 PolarHBondContact O-OG 2.96Å; A16-N20 PolarHBondContact O-N 3Å
17	M	30.5	Very low	32.9	Very low	131 Å²	131	98.8 Å²	98.8	65%	0.645	55%	0.55	S	S	*	.	H	α-helix	trans	-69.6	-36.6	176	-85.6	-163.9	-100.8	0	0	113.1	S13 T14 N20 W21	S13-M17 PolarHBondContact O-N 3.09Å; T14-M17 PolarHBondContact O-N 2.73Å; M17-N20 PolarHBondContact O-N 3.34Å; M17-W21 PolarHBondContact O-N 3.2Å; M17-W21 VanDerWaalsContact O-N 3.11Å
18	I	31.5	Very low	33	Very low	97 Å²	97	95.6 Å²	95.6	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-72.6	-36.6	179.1	-65.7	167.7	0	0	0	111.4	T14 M15 N20 W21 M22	T14-I18 WeakPolarHBondContact O-CG1 3.48Å; T14-I18 PolarHBondContact O-N 2.68Å; M15-I18 PolarHBondContact O-N 3.23Å; I18-N20 VanDerWaalsContact C-N 3.32Å; I18-N20 PolarHBondContact O-N 2.88Å; I18-W21 PolarHBondContact O-N 3.22Å; I18-M22 HydrophobicContact CG2-CE 3.68Å; I18-M22 PolarHBondContact O-N 3.45Å; I18-M22 VanDerWaalsContact O-N 3.14Å
19	S	34.6	Very low	33	Very low	70 Å²	70	97 Å²	97	49%	0.49	56%	0.556	S	S	.	*	H	α-helix	trans	-66	-32.1	172.3	45.8	0	0	0	0	113.4	M15 A16 S23	M15-S19 PolarHBondContact O-N 2.74Å; M15-S19 VanDerWaalsContact O-N 3.15Å; M15-S19 PolarHBondContact O-OG 2.87Å; A16-S19 WeakPolarHBondContact CA-OG 3.29Å; A16-S19 PolarHBondContact O-OG 2.96Å; S19-S23 WeakPolarHBondContact O-CB 3.3Å; S19-S23 PolarHBondContact O-N 3.49Å
20	N	31.6	Very low	33.1	Very low	90 Å²	90	99.7 Å²	99.7	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-76.7	-33.5	178.5	-151.2	20.1	0	0	0	111.9	A16 M17 I18 Q24	A16-N20 PolarHBondContact O-N 3Å; M17-N20 PolarHBondContact O-N 3.34Å; I18-N20 VanDerWaalsContact C-N 3.32Å; I18-N20 PolarHBondContact O-N 2.88Å; N20-Q24 WeakPolarHBondContact O-CG 3.46Å; N20-Q24 PolarHBondContact O-N 3.03Å; N20-Q24 PolarHBondContact OD1-NE2 3.37Å
21	W	33.7	Very low	33.3	Very low	177 Å²	177	100.2 Å²	100.2	67%	0.67	58%	0.575	S	S	*	*	H	α-helix	trans	-70	-38.5	174.1	-174.1	77.9	0	0	0	113	M17 I18 T25	M17-W21 PolarHBondContact O-N 3.2Å; M17-W21 VanDerWaalsContact O-N 3.11Å; I18-W21 PolarHBondContact O-N 3.22Å; W21-T25 PolarHBondContact O-N 3.14Å; W21-T25 PolarHBondContact O-OG1 3.34Å
22	M	30.1	Very low	33.3	Very low	109 Å²	109	104.2 Å²	104.2	54%	0.537	59%	0.592	S	S	.	*	H	α-helix	trans	-72.6	-29.2	176.1	-73.5	-159.8	-98.1	0	0	113.7	I18	I18-M22 HydrophobicContact CG2-CE 3.68Å; I18-M22 PolarHBondContact O-N 3.45Å; I18-M22 VanDerWaalsContact O-N 3.14Å
23	S	33.9	Very low	33.1	Very low	86 Å²	86	105.3 Å²	105.3	60%	0.601	60%	0.599	S	S	*	*	H	α-helix	trans	-74.3	-34.8	178.3	-178.9	0	0	0	0	113.4	S19	S19-S23 WeakPolarHBondContact O-CB 3.3Å; S19-S23 PolarHBondContact O-N 3.49Å
24	Q	37.1	Very low	33.1	Very low	134 Å²	134	108.6 Å²	108.6	63%	0.626	61%	0.609	S	S	*	*	H	α-helix	trans	-96.4	-25	-170.9	-64	-173.6	22.3	0	0	114.7	N20	N20-Q24 WeakPolarHBondContact O-CG 3.46Å; N20-Q24 PolarHBondContact O-N 3.03Å; N20-Q24 PolarHBondContact OD1-NE2 3.37Å
25	T	38.5	Very low	32.7	Very low	61 Å²	61	111.4 Å²	111.4	37%	0.374	63%	0.626	S	S	.	*	H	α-helix	trans	-109.5	-17.9	-165.8	-13.1	0	0	0	0	115.5	W21 S28	W21-T25 PolarHBondContact O-N 3.14Å; W21-T25 PolarHBondContact O-OG1 3.34Å; T25-S28 PolarHBondContact O-OG 2.95Å
26	L	31.3	Very low	32.7	Very low	107 Å²	107	116.3 Å²	116.3	56%	0.56	64%	0.638	S	S	*	*	S	Bend	trans	-72.8	-32.1	174.6	-104.2	94.9	0	0	0	115.6	S28 L29	L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 2.93Å; L26-L29 PolarHBondContact O-N 3.45Å
27	P	36	Very low	32.1	Very low	90 Å²	90	121.4 Å²	121.4	58%	0.584	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-69.4	-23.7	-175	-22.4	33.5	0	0	0	115.2	L29	P27-L29 VanDerWaalsContact C-N 3.31Å; P27-L29 PolarHBondContact O-N 2.95Å
28	S	33.8	Very low	31.8	Very low	98 Å²	98	120.1 Å²	120.1	69%	0.685	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-76.6	-16.9	-179.7	64.1	0	0	0	0	113.6	T25 L26	T25-S28 PolarHBondContact O-OG 2.95Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 2.93Å
29	L	33.4	Very low	31.5	Very low	150 Å²	150	121.9 Å²	121.9	79%	0.785	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-86.7	-9.9	-179.1	-94.8	134.9	0	0	0	114.1	L26 P27	L26-L29 PolarHBondContact O-N 3.45Å; P27-L29 VanDerWaalsContact C-N 3.31Å; P27-L29 PolarHBondContact O-N 2.95Å
30	V	33.8	Very low	31.1	Very low	99 Å²	99	123.5 Å²	123.5	60%	0.6	69%	0.687	S	S	*	*	S	Bend	trans	-113	6.9	-168.8	-159.3	0	0	0	0	113.7	L32	V30-L32 PolarHBondContact O-N 3.15Å; V30-L32 VanDerWaalsContact O-N 3.08Å
31	G	32.8	Very low	30.8	Very low	72 Å²	72	126.8 Å²	126.8	74%	0.742	71%	0.705	S	S	*	*			trans	52.7	40.8	157.2	0	0	0	0	0	117.4	N33	G31-N33 PolarHBondContact O-N 2.87Å
32	L	31.8	Very low	30.4	Very low	167 Å²	167	124 Å²	124	87%	0.874	71%	0.707	S	S	*	*			trans	-95.1	77.1	176.1	-71.5	169.5	0	0	0	110.7	V30	V30-L32 PolarHBondContact O-N 3.15Å; V30-L32 VanDerWaalsContact O-N 3.08Å
33	N	30.2	Very low	30.2	Very low	142 Å²	142	126 Å²	126	76%	0.759	72%	0.719	S	S	*	*			trans	-118.4	131.2	167.8	-127.7	-1.4	0	0	0	109.3	G31	G31-N33 PolarHBondContact O-N 2.87Å
34	I	29.4	Very low	29.8	Very low	140 Å²	140	128.3 Å²	128.3	72%	0.718	73%	0.73	S	S	*	*			trans	80.1	130.7	160.1	-49.9	163.2	0	0	0	113
35	T	26.5	Very low	29.4	Very low	134 Å²	134	130.2 Å²	130.2	82%	0.822	74%	0.739	S	S	*	*			cis	-162.6	158.2	41.4	-7.7	0	0	0	0	112.8
36	R	31.2	Very low	28.8	Very low	232 Å²	232	134.5 Å²	134.5	88%	0.875	76%	0.758	S	S	*	*			trans	-83.8	158.3	172.3	-68.4	172.2	167.4	175.6	-4.3	113.1
37	L	22.8	Very low	28.6	Very low	163 Å²	163	134.7 Å²	134.7	85%	0.853	77%	0.768	S	S	*	*			trans	-174.6	109.3	140.8	-95.2	134.3	0	0	0	108.4
38	S	23	Very low	28.7	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	77%	0.774	S	S	*	*				81.2	128.4	86.6	82.9	0	0	0	0	116.1
39	T	26.3	Very low	28.9	Very low	135 Å²	135	140.7 Å²	140.7	83%	0.828	78%	0.784	S	S	*	*			trans	-63.8	148.8	-178.7	46.7	0	0	0	0	116.7
40	S	25.6	Very low	29.6	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	79%	0.791	S	S	*	*				175.9	131.5	110.8	70.9	0	0	0	0	113.6
41	D	26.2	Very low	30.2	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	79%	0.787	S	S	*	*			trans	65.9	149.2	131.2	-63.8	-12.3	0	0	0	125.8
42	T	25.1	Very low	31.1	Very low	117 Å²	117	145.4 Å²	145.4	72%	0.718	78%	0.782	S	S	*	*			trans	-102.3	158.3	-155.3	16.3	0	0	0	0	115
43	L	26.5	Very low	32	Very low	152 Å²	152	144.7 Å²	144.7	80%	0.796	77%	0.774	S	S	*	*			trans	73.4	117.3	142.2	-69.6	158.4	0	0	0	119.6
44	T	25.2	Very low	33.1	Very low	134 Å²	134	142.6 Å²	142.6	82%	0.822	77%	0.766	S	S	*	*				-175.3	114.3	107.5	20.7	0	0	0	0	113.2
45	Q	27.3	Very low	34.2	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	77%	0.768	S	S	*	*				27.7	139.2	128.8	-120.8	177	8.3	0	0	123.3
46	I	26.1	Very low	35.4	Very low	150 Å²	150	141.5 Å²	141.5	77%	0.769	75%	0.748	S	S	*	*			trans	114.6	108.4	144.4	-58.4	151.9	0	0	0	116.3
47	S	27.2	Very low	36.7	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	73%	0.734	S	S	*	*			trans	-80	150.2	155.7	-46.3	0	0	0	0	109.8
48	P	39.6	Very low	38.4	Very low	108 Å²	108	129.4 Å²	129.4	70%	0.701	72%	0.717	S	S	*	*				-154.9	154	89.1	36.1	-15.5	0	0	0	118
49	K	37.8	Very low	40.1	Very low	206 Å²	206	131.2 Å²	131.2	90%	0.896	71%	0.713	S	S	*	*			trans	83.2	113.4	148.8	-73.8	176.3	179.8	-174	0	120.5
50	E	47.4	Very low	41.9	Very low	200 Å²	200	127.8 Å²	127.8	94%	0.935	69%	0.69	S	S	*	*			trans	-71.2	133.5	166.3	-67.2	170.8	140.1	0	0	112.1
51	G	47	Very low	43.3	Very low	49 Å²	49	129 Å²	129	51%	0.505	70%	0.696	S	S	.	*			trans	165.6	128	167.8	0	0	0	0	0	110.7	Q53	G51-Q53 PolarHBondContact O-N 3.22Å
52	W	52	Low	45.5	Very low	170 Å²	170	126.9 Å²	126.9	64%	0.644	68%	0.684	S	S	*	*			trans	-61.7	124.5	175.3	-66.5	78.4	0	0	0	109.7	V69 A71 P72	W52-V69 HydrophobicContact CE3-CB 4.32Å; W52-V69 HydrophobicContact CE3-CG2 4.02Å; W52-V69 HydrophobicContact CZ3-CG2 4.11Å; W52-A71 HydrophobicContact CE3-CB 4.04Å; W52-A71 HydrophobicContact CH2-CB 3.37Å; W52-A71 HydrophobicContact CZ2-CB 4.32Å; W52-A71 HydrophobicContact CZ3-CB 3.22Å; W52-P72 HydrophobicContact CD2-CG 4.48Å; W52-P72 HydrophobicContact CG-CG 4.5Å
53	Q	50.7	Low	47	Very low	153 Å²	153	123.4 Å²	123.4	72%	0.715	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.5	123.7	176.1	-70.1	-174.5	-13.5	0	0	109.9	G51 V70	G51-Q53 PolarHBondContact O-N 3.22Å; Q53-V70 PolarHBondContact O-N 3.5Å; Q53-V70 VanDerWaalsContact O-N 3.09Å
54	V	53.3	Low	48.7	Very low	98 Å²	98	123.6 Å²	123.6	59%	0.594	66%	0.662	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.4	119.2	175.2	-175	0	0	0	0	108	C67 V69	V54-C67 HydrophobicContact CG1-CB 4.33Å; V54-V69 HydrophobicContact CB-CG1 4.43Å; V54-V69 HydrophobicContact CG1-CG1 4.46Å; V54-V69 HydrophobicContact CG2-CG1 3.98Å
55	Y	51.8	Low	50.4	Low	193 Å²	193	121.5 Å²	121.5	76%	0.757	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.1	-35.5	-173.1	-163.7	-96.1	0	0	0	112.2	T68 V70	Y55-T68 PolarHBondContact N-O 2.99Å; Y55-V70 HydrophobicContact CD2-CG2 4.43Å
56	S	51.4	Low	51.9	Low	57 Å²	57	117.4 Å²	117.4	40%	0.399	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-158.3	157.8	171.1	86.7	0	0	0	0	111.7	C67 T68	S56-C67 CarbonylContact O-C 3.58Å; S56-C67 WeakPolarHBondContact O-CA 3.27Å; S56-T68 PolarHBondContact N-O 3.07Å; S56-T68 PolarHBondContact O-N 3.17Å
57	S	58.7	Low	53.7	Low	82 Å²	82	113.8 Å²	113.8	57%	0.573	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.9	126.6	168.5	60	0	0	0	0	109.6	I66	S57-I66 CarbonylContact C-O 3.59Å; S57-I66 WeakPolarHBondContact CA-O 3.43Å
58	A	58.8	Low	55.2	Low	60 Å²	60	112.2 Å²	112.2	50%	0.496	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.6	151.8	176.7	0	0	0	0	0	110	I66	A58-I66 PolarHBondContact N-O 3.01Å; A58-I66 PolarHBondContact O-N 3.48Å
59	Q	58.9	Low	56.2	Low	141 Å²	141	110.4 Å²	110.4	66%	0.659	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	178.9	-156.4	169.6	23.2	0	0	109.6	G63 R64	Q59-G63 PolarHBondContact NE2-O 2.92Å; Q59-R64 CarbonylContact C-O 3.59Å; Q59-R64 WeakPolarHBondContact CA-O 3.36Å
60	D	63.3	Low	56.8	Low	63 Å²	63	104.7 Å²	104.7	34%	0.337	58%	0.576	S	S	.	*			trans	-71.8	150.7	175.3	-159.4	15.4	0	0	0	109.6	D62 G63 R64 I66	D60-D62 PolarHBondContact O-N 3.43Å; D60-G63 WeakPolarHBondContact O-CA 3.41Å; D60-G63 PolarHBondContact O-N 3.28Å; D60-R64 PolarHBondContact N-O 2.66Å; D60-I66 HydrophobicContact CB-CD1 3.84Å; D60-I66 HydrophobicContact CB-CG1 4.37Å
61	P	54.2	Low	56.9	Low	129 Å²	129	97.7 Å²	97.7	84%	0.838	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.1	-27.7	171.7	-1.5	-22.3	0	0	0	117.7	G63	P61-G63 PolarHBondContact O-N 3.48Å
62	D	73.6	Confident	57	Low	116 Å²	116	98.1 Å²	98.1	62%	0.62	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	8.1	174.2	-64.6	-30.2	0	0	0	113.9	D60 R64	D60-D62 PolarHBondContact O-N 3.43Å; D62-R64 VanDerWaalsContact C-N 3.33Å; D62-R64 PolarHBondContact O-N 2.9Å; D62-R64 IonicContact OD2-CZ 3.87Å; D62-R64 IonicContact OD2-NH2 2.84Å; D62-R64 PolarHBondContact OD2-NH2 3.42Å
63	G	57	Low	56.6	Low	43 Å²	43	98.9 Å²	98.9	44%	0.443	56%	0.557	S	S	.	*	S	Bend	trans	79.8	7.2	-179.8	0	0	0	0	0	115.1	Q59 D60 P61	Q59-G63 PolarHBondContact NE2-O 2.92Å; D60-G63 WeakPolarHBondContact O-CA 3.41Å; D60-G63 PolarHBondContact O-N 3.28Å; P61-G63 PolarHBondContact O-N 3.48Å
64	R	60.5	Low	56.3	Low	156 Å²	156	99.9 Å²	99.9	59%	0.589	56%	0.562	S	S	*	*			trans	-85.4	132.9	179.9	-70	-178.2	-79.9	-167.7	-6.2	111.3	Q59 D60 D62	Q59-R64 CarbonylContact C-O 3.59Å; Q59-R64 WeakPolarHBondContact CA-O 3.36Å; D60-R64 PolarHBondContact N-O 2.66Å; D62-R64 VanDerWaalsContact C-N 3.33Å; D62-R64 PolarHBondContact O-N 2.9Å; D62-R64 IonicContact OD2-CZ 3.87Å; D62-R64 IonicContact OD2-NH2 2.84Å; D62-R64 PolarHBondContact OD2-NH2 3.42Å
65	C	61.4	Low	56.1	Low	90 Å²	90	101.5 Å²	101.5	61%	0.608	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.7	120.7	178.8	-144.7	0	0	0	0	110.1
66	I	59.7	Low	55.7	Low	90 Å²	90	99.9 Å²	99.9	46%	0.462	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	116.7	178	-57.3	178.8	0	0	0	108	S57 A58 D60	S57-I66 CarbonylContact C-O 3.59Å; S57-I66 WeakPolarHBondContact CA-O 3.43Å; A58-I66 PolarHBondContact N-O 3.01Å; A58-I66 PolarHBondContact O-N 3.48Å; D60-I66 HydrophobicContact CB-CD1 3.84Å; D60-I66 HydrophobicContact CB-CG1 4.37Å
67	C	62.7	Low	55.5	Low	73 Å²	73	102.8 Å²	102.8	49%	0.493	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	130.5	175.8	-63	0	0	0	0	110.5	V54 S56	V54-C67 HydrophobicContact CG1-CB 4.33Å; S56-C67 CarbonylContact O-C 3.58Å; S56-C67 WeakPolarHBondContact O-CA 3.27Å
68	T	59.7	Low	55	Low	79 Å²	79	100.5 Å²	100.5	49%	0.485	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.2	116.4	169.9	-38.3	0	0	0	0	108.6	Y55 S56	Y55-T68 PolarHBondContact N-O 2.99Å; S56-T68 PolarHBondContact N-O 3.07Å; S56-T68 PolarHBondContact O-N 3.17Å
69	V	59.8	Low	54.6	Low	71 Å²	71	106.8 Å²	106.8	43%	0.43	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	142.3	178.2	-64.3	0	0	0	0	110.4	W52 V54	W52-V69 HydrophobicContact CE3-CB 4.32Å; W52-V69 HydrophobicContact CE3-CG2 4.02Å; W52-V69 HydrophobicContact CZ3-CG2 4.11Å; V54-V69 HydrophobicContact CB-CG1 4.43Å; V54-V69 HydrophobicContact CG1-CG1 4.46Å; V54-V69 HydrophobicContact CG2-CG1 3.98Å
70	V	51.4	Low	54.3	Low	86 Å²	86	104.4 Å²	104.4	52%	0.521	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90	114.1	167.5	-179.3	0	0	0	0	107.5	Q53 Y55	Q53-V70 PolarHBondContact O-N 3.5Å; Q53-V70 VanDerWaalsContact O-N 3.09Å; Y55-V70 HydrophobicContact CD2-CG2 4.43Å
71	A	49.4	Very low	53.8	Low	52 Å²	52	104 Å²	104	43%	0.43	58%	0.581	S	S	.	*			trans	-68.4	132.6	171.4	0	0	0	0	0	109.7	W52 E73	W52-A71 HydrophobicContact CE3-CB 4.04Å; W52-A71 HydrophobicContact CH2-CB 3.37Å; W52-A71 HydrophobicContact CZ2-CB 4.32Å; W52-A71 HydrophobicContact CZ3-CB 3.22Å; A71-E73 PolarHBondContact O-N 2.82Å
72	P	48.5	Very low	53.7	Low	58 Å²	58	103.3 Å²	103.3	38%	0.377	57%	0.566	S	S	.	*			trans	-59.5	126.1	167.4	-0.5	9.1	0	0	0	108	W52 Q74	W52-P72 HydrophobicContact CD2-CG 4.48Å; W52-P72 HydrophobicContact CG-CG 4.5Å; P72-Q74 PolarHBondContact O-N 2.9Å
73	E	44.1	Very low	52.9	Low	186 Å²	186	100 Å²	100	87%	0.869	55%	0.551	S	S	*	*			trans	-57.9	102.4	177.2	-78.2	-170.1	152.6	0	0	109.8	A71 N75	A71-E73 PolarHBondContact O-N 2.82Å; E73-N75 VanDerWaalsContact C-N 3.26Å; E73-N75 PolarHBondContact O-N 3.22Å
74	Q	45	Very low	52.8	Low	174 Å²	174	105.1 Å²	105.1	81%	0.813	56%	0.557	S	S	*	*			trans	-72.9	89.4	161.9	-78.8	-168.4	-15.8	0	0	108.1	P72 L76	P72-Q74 PolarHBondContact O-N 2.9Å; Q74-L76 PolarHBondContact O-N 3.4Å
75	N	48.6	Very low	52.6	Low	132 Å²	132	101.4 Å²	101.4	71%	0.706	55%	0.547	S	S	*	.			trans	31.7	47.2	150.1	-73.7	-28.4	0	0	0	116.9	E73 C77 S78	E73-N75 VanDerWaalsContact C-N 3.26Å; E73-N75 PolarHBondContact O-N 3.22Å; N75-C77 PolarHBondContact O-N 3.26Å; N75-C77 VanDerWaalsContact O-N 3.07Å; N75-S78 WeakPolarHBondContact O-CB 3.35Å; N75-S78 PolarHBondContact O-N 2.94Å
76	L	42.1	Very low	52.3	Low	160 Å²	160	98.5 Å²	98.5	84%	0.838	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.2	178.4	-83.5	144.3	0	0	0	112	Q74	Q74-L76 PolarHBondContact O-N 3.4Å
77	C	47.8	Very low	52.4	Low	117 Å²	117	103 Å²	103	79%	0.791	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	1.7	173.3	-61.5	0	0	0	0	114.9	N75 R79	N75-C77 PolarHBondContact O-N 3.26Å; N75-C77 VanDerWaalsContact O-N 3.07Å; C77-R79 PolarHBondContact O-N 3.48Å
78	S	49.2	Very low	52.1	Low	35 Å²	35	105.1 Å²	105.1	25%	0.245	54%	0.539	C	S	.	.	H	α-helix	trans	-68.6	-19.5	177.2	157.7	0	0	0	0	113.7	N75 D80 A81 K82	N75-S78 WeakPolarHBondContact O-CB 3.35Å; N75-S78 PolarHBondContact O-N 2.94Å; S78-D80 PolarHBondContact O-N 3.48Å; S78-A81 PolarHBondContact O-N 2.96Å; S78-K82 PolarHBondContact O-N 3.18Å; S78-K82 WeakPolarHBondContact OG-CE 3.4Å
79	R	49.5	Very low	51.8	Low	191 Å²	191	101.7 Å²	101.7	72%	0.721	52%	0.517	S	S	*	.	H	α-helix	trans	-58	-34.5	178.3	-89.8	179.1	73.1	-179	3.4	111.8	C77 S83	C77-R79 PolarHBondContact O-N 3.48Å; R79-S83 WeakPolarHBondContact O-CB 3.47Å; R79-S83 PolarHBondContact O-N 3.37Å; R79-S83 PolarHBondContact O-OG 2.89Å
80	D	53.2	Low	51.6	Low	91 Å²	91	100.4 Å²	100.4	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-74.6	-38.9	-178.9	-105.8	31.6	0	0	0	113.2	S78 S83 R84	S78-D80 PolarHBondContact O-N 3.48Å; D80-S83 WeakPolarHBondContact CA-OG 3.33Å; D80-S83 PolarHBondContact O-OG 2.93Å; D80-S83 VanDerWaalsContact O-OG 3.12Å; D80-R84 VanDerWaalsContact O-CB 3.28Å; D80-R84 WeakPolarHBondContact O-CB 3.5Å; D80-R84 WeakPolarHBondContact O-CG 3.48Å; D80-R84 PolarHBondContact O-N 2.92Å; D80-R84 PolarHBondContact O-NE 3.34Å; D80-R84 IonicContact OD2-CZ 2.78Å; D80-R84 IonicContact OD2-NH2 3.47Å; D80-R84 PolarHBondContact OD2-NH2 3.31Å
81	A	52.6	Low	52	Low	54 Å²	54	102.1 Å²	102.1	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-70.6	-46.9	176.7	0	0	0	0	0	111.2	S78 S83 R84 Q85	S78-A81 PolarHBondContact O-N 2.96Å; A81-S83 PolarHBondContact O-N 2.9Å; A81-R84 PolarHBondContact O-N 3.49Å; A81-Q85 WeakPolarHBondContact O-CG 3.46Å; A81-Q85 PolarHBondContact O-N 3.45Å
82	K	52.4	Low	52.1	Low	116 Å²	116	103.5 Å²	103.5	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-39	177.7	-71.7	-176.3	178.7	-177.9	0	112.2	S78 Q85 L86	S78-K82 PolarHBondContact O-N 3.18Å; S78-K82 WeakPolarHBondContact OG-CE 3.4Å; K82-Q85 PolarHBondContact O-N 3.16Å; K82-L86 VanDerWaalsContact O-CB 3.29Å; K82-L86 WeakPolarHBondContact O-CB 3.38Å; K82-L86 PolarHBondContact O-N 3.39Å
83	S	55.5	Low	52.4	Low	46 Å²	46	101.2 Å²	101.2	32%	0.322	49%	0.491	S	S	.	.	H	α-helix	trans	-70.6	-35.8	175.8	59.8	0	0	0	0	113	R79 D80 A81 L86 R87	R79-S83 WeakPolarHBondContact O-CB 3.47Å; R79-S83 PolarHBondContact O-N 3.37Å; R79-S83 PolarHBondContact O-OG 2.89Å; D80-S83 WeakPolarHBondContact CA-OG 3.33Å; D80-S83 PolarHBondContact O-OG 2.93Å; D80-S83 VanDerWaalsContact O-OG 3.12Å; A81-S83 PolarHBondContact O-N 2.9Å; S83-L86 PolarHBondContact O-N 3.3Å; S83-R87 WeakPolarHBondContact O-CB 3.36Å; S83-R87 WeakPolarHBondContact O-CG 3.39Å; S83-R87 PolarHBondContact O-N 3.45Å
84	R	56.6	Low	53.1	Low	150 Å²	150	98 Å²	98	57%	0.566	48%	0.476	S	S	*	.	H	α-helix	trans	-64	-43.8	171.4	-77.7	177.5	-131.9	-172.1	0	111.6	D80 A81 R87 Q88	D80-R84 VanDerWaalsContact O-CB 3.28Å; D80-R84 WeakPolarHBondContact O-CB 3.5Å; D80-R84 WeakPolarHBondContact O-CG 3.48Å; D80-R84 PolarHBondContact O-N 2.92Å; D80-R84 PolarHBondContact O-NE 3.34Å; D80-R84 IonicContact OD2-CZ 2.78Å; D80-R84 IonicContact OD2-NH2 3.47Å; D80-R84 PolarHBondContact OD2-NH2 3.31Å; A81-R84 PolarHBondContact O-N 3.49Å; R84-R87 WeakPolarHBondContact O-CB 3.25Å; R84-R87 PolarHBondContact O-N 3.19Å; R84-Q88 WeakPolarHBondContact O-CG 3.38Å; R84-Q88 PolarHBondContact O-N 2.93Å
85	Q	55.6	Low	53.5	Low	79 Å²	79	93.5 Å²	93.5	37%	0.369	46%	0.458	S	S	.	.	H	α-helix	trans	-68.4	-39	176.9	-66.9	174.6	-47.2	0	0	112.3	A81 K82 R87 Q88 L89 Y196	A81-Q85 WeakPolarHBondContact O-CG 3.46Å; A81-Q85 PolarHBondContact O-N 3.45Å; K82-Q85 PolarHBondContact O-N 3.16Å; Q85-R87 VanDerWaalsContact C-N 3.31Å; Q85-R87 PolarHBondContact O-N 2.87Å; Q85-Q88 WeakPolarHBondContact O-CB 3.49Å; Q85-Q88 PolarHBondContact O-N 2.93Å; Q85-Q88 VanDerWaalsContact O-N 3.17Å; Q85-L89 PolarHBondContact O-N 3.31Å; Q85-Y196 HydrophobicContact CB-CE2 4.21Å; Q85-Y196 WeakPolarHBondContact CB-OH 3.46Å; Q85-Y196 PolarHBondContact OE1-OH 3.15Å
86	L	55	Low	53.5	Low	28 Å²	28	88.3 Å²	88.3	15%	0.147	43%	0.43	C	S	.	.	H	α-helix	trans	-61.2	-40	172.9	-170.4	70.6	0	0	0	111.3	K82 S83 L89 L90 L184 Q188	K82-L86 VanDerWaalsContact O-CB 3.29Å; K82-L86 WeakPolarHBondContact O-CB 3.38Å; K82-L86 PolarHBondContact O-N 3.39Å; S83-L86 PolarHBondContact O-N 3.3Å; L86-L89 WeakPolarHBondContact O-CB 3.38Å; L86-L89 PolarHBondContact O-N 3.49Å; L86-L90 HydrophobicContact CG-CD1 4.23Å; L86-L90 WeakPolarHBondContact O-CB 3.09Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.4Å; L86-L90 PolarHBondContact O-N 2.94Å; L86-L184 HydrophobicContact CD1-CD2 3.81Å; L86-Q188 HydrophobicContact CD2-CB 4.47Å
87	R	60.6	Low	54.2	Low	185 Å²	185	83 Å²	83	70%	0.698	41%	0.406	S	S	*	.	H	α-helix	trans	-61.8	-41.7	172.4	-80.2	177.9	177.7	174.2	0.9	112.5	S83 R84 Q85 L89 L90 E91	S83-R87 WeakPolarHBondContact O-CB 3.36Å; S83-R87 WeakPolarHBondContact O-CG 3.39Å; S83-R87 PolarHBondContact O-N 3.45Å; R84-R87 WeakPolarHBondContact O-CB 3.25Å; R84-R87 PolarHBondContact O-N 3.19Å; Q85-R87 VanDerWaalsContact C-N 3.31Å; Q85-R87 PolarHBondContact O-N 2.87Å; R87-L89 VanDerWaalsContact C-N 3.33Å; R87-L90 PolarHBondContact O-N 3.33Å; R87-E91 WeakPolarHBondContact O-CB 3.32Å; R87-E91 PolarHBondContact O-N 2.83Å
88	Q	57.6	Low	54.7	Low	118 Å²	118	82.5 Å²	82.5	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-63.6	-39.6	174.5	-72.8	176.1	-16.3	0	0	112	R84 Q85 E91 K92	R84-Q88 WeakPolarHBondContact O-CG 3.38Å; R84-Q88 PolarHBondContact O-N 2.93Å; Q85-Q88 WeakPolarHBondContact O-CB 3.49Å; Q85-Q88 PolarHBondContact O-N 2.93Å; Q85-Q88 VanDerWaalsContact O-N 3.17Å; Q88-E91 PolarHBondContact O-N 3.29Å; Q88-K92 WeakPolarHBondContact O-CB 3.46Å; Q88-K92 WeakPolarHBondContact O-CG 3.39Å; Q88-K92 PolarHBondContact O-N 2.65Å
89	L	52.4	Low	54.8	Low	7 Å²	7	83.6 Å²	83.6	4%	0.037	40%	0.4	C	S	.	.	H	α-helix	trans	-65.2	-43.8	174.9	-82.5	151.2	0	0	0	111.7	Q85 L86 R87 K92 V93 Y196 V203	Q85-L89 PolarHBondContact O-N 3.31Å; L86-L89 WeakPolarHBondContact O-CB 3.38Å; L86-L89 PolarHBondContact O-N 3.49Å; R87-L89 VanDerWaalsContact C-N 3.33Å; L89-K92 PolarHBondContact O-N 2.95Å; L89-V93 WeakPolarHBondContact O-CB 3.45Å; L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 2.96Å; L89-Y196 HydrophobicContact CD1-CE2 3.88Å; L89-V203 HydrophobicContact CD2-CB 3.61Å; L89-V203 HydrophobicContact CD2-CG1 3.56Å; L89-V203 HydrophobicContact CD2-CG2 3.68Å
90	L	57.2	Low	54.9	Low	43 Å²	43	75.2 Å²	75.2	23%	0.225	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-43.7	174.6	-74.1	163.6	0	0	0	111.5	L86 R87 K92 V93 Q94 L184 Q188	L86-L90 HydrophobicContact CG-CD1 4.23Å; L86-L90 WeakPolarHBondContact O-CB 3.09Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.4Å; L86-L90 PolarHBondContact O-N 2.94Å; R87-L90 PolarHBondContact O-N 3.33Å; L90-K92 PolarHBondContact O-N 3.03Å; L90-V93 PolarHBondContact O-N 2.85Å; L90-Q94 WeakPolarHBondContact O-CB 3.29Å; L90-Q94 PolarHBondContact O-N 3.31Å; L90-L184 HydrophobicContact CD2-CB 4.33Å; L90-L184 HydrophobicContact CD2-CD2 3.96Å; L90-L184 HydrophobicContact CG-CD2 4.19Å; L90-Q188 VanDerWaalsContact CD1-OE1 3.3Å
91	E	58.3	Low	55.1	Low	122 Å²	122	76.3 Å²	76.3	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-63.2	-41.7	176.8	-170.3	175.9	-169.5	0	0	111.5	R87 Q88 Q94 N95	R87-E91 WeakPolarHBondContact O-CB 3.32Å; R87-E91 PolarHBondContact O-N 2.83Å; Q88-E91 PolarHBondContact O-N 3.29Å; E91-Q94 PolarHBondContact O-N 3.03Å; E91-N95 WeakPolarHBondContact O-CB 3.36Å; E91-N95 PolarHBondContact O-N 3.26Å; E91-N95 PolarHBondContact O-ND2 2.64Å
92	K	53.1	Low	55.3	Low	82 Å²	82	77.4 Å²	77.4	36%	0.357	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-48.9	172.9	-81	164.8	151	-120.7	0	112.4	Q88 L89 L90 Q94 N95 M96 E207	Q88-K92 WeakPolarHBondContact O-CB 3.46Å; Q88-K92 WeakPolarHBondContact O-CG 3.39Å; Q88-K92 PolarHBondContact O-N 2.65Å; L89-K92 PolarHBondContact O-N 2.95Å; L90-K92 PolarHBondContact O-N 3.03Å; K92-Q94 VanDerWaalsContact C-N 3.3Å; K92-Q94 PolarHBondContact O-N 3.27Å; K92-N95 PolarHBondContact O-N 2.91Å; K92-M96 VanDerWaalsContact O-CG 3.28Å; K92-M96 WeakPolarHBondContact O-CG 3.34Å; K92-M96 PolarHBondContact O-N 3.49Å; K92-E207 WeakPolarHBondContact CD-OE1 3.08Å; K92-E207 WeakPolarHBondContact CE-OE1 3.48Å; K92-E207 WeakPolarHBondContact CG-OE1 3.36Å; K92-E207 VanDerWaalsContact NZ-CD 3.29Å; K92-E207 IonicContact NZ-OE1 3.88Å; K92-E207 PolarHBondContact NZ-OE1 3.46Å; K92-E207 IonicContact NZ-OE2 3.28Å; K92-E207 PolarHBondContact NZ-OE2 2.85Å
93	V	53.9	Low	55.1	Low	10 Å²	10	72.6 Å²	72.6	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-37.3	178.3	170.5	0	0	0	0	111.1	L89 L90 M96 S97 L180 L184	L89-V93 WeakPolarHBondContact O-CB 3.45Å; L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 2.96Å; L90-V93 PolarHBondContact O-N 2.85Å; V93-M96 PolarHBondContact O-N 3.36Å; V93-S97 WeakPolarHBondContact O-CB 3.39Å; V93-S97 PolarHBondContact O-N 3.12Å; V93-L180 HydrophobicContact CG2-CD2 4.29Å; V93-L184 HydrophobicContact CG2-CD1 3.88Å
94	Q	58.8	Low	55	Low	118 Å²	118	71.9 Å²	71.9	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-67.7	-42.2	175.8	-169.3	163.6	3.7	0	0	111.8	L90 E91 K92 M96 S97 Q98	L90-Q94 WeakPolarHBondContact O-CB 3.29Å; L90-Q94 PolarHBondContact O-N 3.31Å; E91-Q94 PolarHBondContact O-N 3.03Å; K92-Q94 VanDerWaalsContact C-N 3.3Å; K92-Q94 PolarHBondContact O-N 3.27Å; Q94-M96 VanDerWaalsContact C-N 3.33Å; Q94-M96 PolarHBondContact O-N 2.93Å; Q94-S97 PolarHBondContact O-N 3.28Å; Q94-Q98 WeakPolarHBondContact O-CG 3.46Å; Q94-Q98 PolarHBondContact O-N 3.42Å
95	N	53.1	Low	55.1	Low	79 Å²	79	69.3 Å²	69.3	42%	0.422	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-39.8	172.8	-71.4	-24.2	0	0	0	111.7	E91 K92 Q98 S99	E91-N95 WeakPolarHBondContact O-CB 3.36Å; E91-N95 PolarHBondContact O-N 3.26Å; E91-N95 PolarHBondContact O-ND2 2.64Å; K92-N95 PolarHBondContact O-N 2.91Å; N95-Q98 PolarHBondContact O-N 2.94Å; N95-S99 WeakPolarHBondContact O-CB 3.33Å; N95-S99 PolarHBondContact O-N 3.17Å; N95-S99 PolarHBondContact O-OG 2.78Å
96	M	49.2	Very low	54.9	Low	23 Å²	23	69.8 Å²	69.8	11%	0.113	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-42.8	173.9	-70.5	169.8	68.2	0	0	111.9	K92 V93 Q94 Q98 S99 I100 E207 L210	K92-M96 VanDerWaalsContact O-CG 3.28Å; K92-M96 WeakPolarHBondContact O-CG 3.34Å; K92-M96 PolarHBondContact O-N 3.49Å; V93-M96 PolarHBondContact O-N 3.36Å; Q94-M96 VanDerWaalsContact C-N 3.33Å; Q94-M96 PolarHBondContact O-N 2.93Å; M96-Q98 VanDerWaalsContact C-N 3.34Å; M96-Q98 PolarHBondContact O-N 3.24Å; M96-S99 PolarHBondContact O-N 2.98Å; M96-I100 PolarHBondContact O-N 3.44Å; M96-E207 HydrophobicContact CE-CG 4.23Å; M96-E207 HydrophobicContact SD-CG 3.59Å; M96-E207 VanDerWaalsContact SD-CG 3.59Å; M96-L210 HydrophobicContact CB-CD2 3.8Å; M96-L210 HydrophobicContact CE-CB 3.97Å; M96-L210 HydrophobicContact CE-CD2 3.36Å; M96-L210 HydrophobicContact CE-CG 4.28Å; M96-L210 HydrophobicContact CG-CD2 3.71Å; M96-L210 HydrophobicContact SD-CD2 4.32Å
97	S	57	Low	54.7	Low	49 Å²	49	69.6 Å²	69.6	34%	0.343	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-39.8	176.4	-170.4	0	0	0	0	111.8	V93 Q94 I100 E101	V93-S97 WeakPolarHBondContact O-CB 3.39Å; V93-S97 PolarHBondContact O-N 3.12Å; Q94-S97 PolarHBondContact O-N 3.28Å; S97-I100 VanDerWaalsContact O-CG2 3.29Å; S97-I100 WeakPolarHBondContact O-CG2 3.38Å; S97-E101 WeakPolarHBondContact O-CB 3.45Å; S97-E101 PolarHBondContact O-N 2.97Å; S97-E101 VanDerWaalsContact O-N 3.07Å
98	Q	58.1	Low	54.3	Low	106 Å²	106	65.6 Å²	65.6	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-66.7	-43.4	173.4	-71.7	174.4	-3	0	0	111.3	Q94 N95 M96 I100 E101 V102	Q94-Q98 WeakPolarHBondContact O-CG 3.46Å; Q94-Q98 PolarHBondContact O-N 3.42Å; N95-Q98 PolarHBondContact O-N 2.94Å; M96-Q98 VanDerWaalsContact C-N 3.34Å; M96-Q98 PolarHBondContact O-N 3.24Å; Q98-I100 PolarHBondContact O-N 2.95Å; Q98-E101 PolarHBondContact O-N 3.39Å; Q98-V102 WeakPolarHBondContact O-CG2 3.43Å; Q98-V102 PolarHBondContact O-N 2.78Å
99	S	50.1	Low	54.3	Low	59 Å²	59	67.5 Å²	67.5	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-41.4	178	-57.5	0	0	0	0	112.2	N95 M96 L103	N95-S99 WeakPolarHBondContact O-CB 3.33Å; N95-S99 PolarHBondContact O-N 3.17Å; N95-S99 PolarHBondContact O-OG 2.78Å; M96-S99 PolarHBondContact O-N 2.98Å; S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 PolarHBondContact O-N 3.46Å
100	I	52.7	Low	54	Low	15 Å²	15	70 Å²	70	8%	0.077	35%	0.345	C	S	.	.	H	α-helix	trans	-73.2	-30.5	178.4	-157.5	167.8	0	0	0	112	M96 S97 Q98 L103 N104 F173 I177	M96-I100 PolarHBondContact O-N 3.44Å; S97-I100 VanDerWaalsContact O-CG2 3.29Å; S97-I100 WeakPolarHBondContact O-CG2 3.38Å; Q98-I100 PolarHBondContact O-N 2.95Å; I100-L103 PolarHBondContact O-N 3.26Å; I100-N104 WeakPolarHBondContact O-CB 3.17Å; I100-N104 PolarHBondContact O-N 3.39Å; I100-F173 HydrophobicContact CD1-CB 4.09Å; I100-I177 HydrophobicContact CD1-CD1 3.72Å; I100-I177 HydrophobicContact CG2-CD1 4.33Å
101	E	58.2	Low	53.7	Low	114 Å²	114	71.8 Å²	71.8	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-70.8	-42.2	175.7	-171.2	142.4	-147.9	0	0	111.3	S97 Q98 L103 N104 L105	S97-E101 WeakPolarHBondContact O-CB 3.45Å; S97-E101 PolarHBondContact O-N 2.97Å; S97-E101 VanDerWaalsContact O-N 3.07Å; Q98-E101 PolarHBondContact O-N 3.39Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.14Å; E101-N104 PolarHBondContact O-N 3.13Å; E101-L105 HydrophobicContact CG-CD1 4.46Å; E101-L105 WeakPolarHBondContact O-CB 3.44Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.35Å; E101-L105 PolarHBondContact O-N 3.46Å
102	V	55.8	Low	53.5	Low	77 Å²	77	72.1 Å²	72.1	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-44.8	169.8	172.2	0	0	0	0	110.7	Q98 L105 R106	Q98-V102 WeakPolarHBondContact O-CG2 3.43Å; Q98-V102 PolarHBondContact O-N 2.78Å; V102-L105 PolarHBondContact O-N 3.47Å; V102-R106 VanDerWaalsContact O-CB 3.27Å; V102-R106 WeakPolarHBondContact O-CB 3.47Å; V102-R106 PolarHBondContact O-N 2.97Å
103	L	49.1	Very low	53.4	Low	14 Å²	14	75.6 Å²	75.6	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-47.3	175.4	-171.5	76.1	0	0	0	111.3	S99 I100 E101 L105 R106 T107 M214 L217	S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 PolarHBondContact O-N 3.46Å; I100-L103 PolarHBondContact O-N 3.26Å; E101-L103 VanDerWaalsContact C-N 3.33Å; E101-L103 PolarHBondContact O-N 3.14Å; L103-L105 PolarHBondContact O-N 3.28Å; L103-R106 CarbonylContact O-C 3.59Å; L103-R106 WeakPolarHBondContact O-CA 3.36Å; L103-R106 WeakPolarHBondContact O-CB 3.45Å; L103-R106 PolarHBondContact O-N 3.11Å; L103-R106 VanDerWaalsContact O-N 3.11Å; L103-T107 WeakPolarHBondContact O-CB 3.4Å; L103-T107 PolarHBondContact O-N 3.07Å; L103-T107 PolarHBondContact O-OG1 3.32Å; L103-M214 HydrophobicContact CB-SD 4.42Å; L103-M214 HydrophobicContact CD1-CE 4.13Å; L103-M214 HydrophobicContact CD1-SD 4.03Å; L103-M214 HydrophobicContact CD2-SD 3.49Å; L103-M214 WeakPolarHBondContact CD2-SD 3.41Å; L103-M214 HydrophobicContact CG-SD 4.18Å; L103-L217 HydrophobicContact CD2-CD1 3.96Å
104	N	53.1	Low	53.2	Low	32 Å²	32	77.1 Å²	77.1	17%	0.171	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-43.7	-179.6	177.9	50.8	0	0	0	111.5	I100 E101 R106 T107 Q108	I100-N104 WeakPolarHBondContact O-CB 3.17Å; I100-N104 PolarHBondContact O-N 3.39Å; E101-N104 PolarHBondContact O-N 3.13Å; N104-R106 VanDerWaalsContact C-N 3.27Å; N104-R106 PolarHBondContact O-N 3.13Å; N104-T107 PolarHBondContact O-N 3.43Å; N104-Q108 VanDerWaalsContact O-CB 3.27Å; N104-Q108 WeakPolarHBondContact O-CB 3.4Å; N104-Q108 VanDerWaalsContact O-CG 3.23Å; N104-Q108 WeakPolarHBondContact O-CG 3.17Å; N104-Q108 PolarHBondContact O-N 3.07Å
105	L	57.3	Low	52.8	Low	95 Å²	95	73.9 Å²	73.9	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-37.1	174.3	-72	170.3	0	0	0	111.6	E101 V102 L103 R109	E101-L105 HydrophobicContact CG-CD1 4.46Å; E101-L105 WeakPolarHBondContact O-CB 3.44Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.35Å; E101-L105 PolarHBondContact O-N 3.46Å; V102-L105 PolarHBondContact O-N 3.47Å; L103-L105 PolarHBondContact O-N 3.28Å; L105-R109 WeakPolarHBondContact O-CB 3.14Å; L105-R109 PolarHBondContact O-N 2.77Å
106	R	52	Low	52.9	Low	90 Å²	90	76.5 Å²	76.5	34%	0.34	37%	0.368	S	S	.	.	H	α-helix	trans	-68.7	-49.6	176	-169.2	178	-172.8	165.7	7.2	111.7	V102 L103 N104 Q108 R109 D110	V102-R106 VanDerWaalsContact O-CB 3.27Å; V102-R106 WeakPolarHBondContact O-CB 3.47Å; V102-R106 PolarHBondContact O-N 2.97Å; L103-R106 CarbonylContact O-C 3.59Å; L103-R106 WeakPolarHBondContact O-CA 3.36Å; L103-R106 WeakPolarHBondContact O-CB 3.45Å; L103-R106 PolarHBondContact O-N 3.11Å; L103-R106 VanDerWaalsContact O-N 3.11Å; N104-R106 VanDerWaalsContact C-N 3.27Å; N104-R106 PolarHBondContact O-N 3.13Å; R106-Q108 VanDerWaalsContact C-N 3.31Å; R106-Q108 PolarHBondContact O-N 2.87Å; R106-R109 WeakPolarHBondContact O-CB 3.09Å; R106-R109 PolarHBondContact O-N 2.97Å; R106-R109 VanDerWaalsContact O-N 3.14Å; R106-D110 PolarHBondContact O-N 3.45Å
107	T	51.2	Low	53.2	Low	24 Å²	24	80.4 Å²	80.4	15%	0.147	39%	0.387	C	S	.	.	H	α-helix	trans	-61.3	-38	175.4	-56.1	0	0	0	0	111.6	L103 N104 D110 F111 Y163 I170	L103-T107 WeakPolarHBondContact O-CB 3.4Å; L103-T107 PolarHBondContact O-N 3.07Å; L103-T107 PolarHBondContact O-OG1 3.32Å; N104-T107 PolarHBondContact O-N 3.43Å; T107-D110 PolarHBondContact O-N 3.49Å; T107-F111 WeakPolarHBondContact O-CB 3.34Å; T107-F111 PolarHBondContact O-N 2.72Å; T107-Y163 HydrophobicContact CG2-CE1 4.39Å; T107-Y163 WeakPolarHBondContact CG2-OH 3.38Å; T107-Y163 PolarHBondContact O-OH 3.45Å; T107-I170 HydrophobicContact CG2-CD1 3.76Å
108	Q	52.6	Low	53.1	Low	100 Å²	100	80.7 Å²	80.7	47%	0.467	38%	0.383	S	S	.	.	H	α-helix	trans	-66.5	-38.8	174.5	-79	-179.2	-3.2	0	0	112.1	N104 R106 F111 Q112	N104-Q108 VanDerWaalsContact O-CB 3.27Å; N104-Q108 WeakPolarHBondContact O-CB 3.4Å; N104-Q108 VanDerWaalsContact O-CG 3.23Å; N104-Q108 WeakPolarHBondContact O-CG 3.17Å; N104-Q108 PolarHBondContact O-N 3.07Å; R106-Q108 VanDerWaalsContact C-N 3.31Å; R106-Q108 PolarHBondContact O-N 2.87Å; Q108-F111 WeakPolarHBondContact O-CB 3.5Å; Q108-F111 PolarHBondContact O-N 3.36Å; Q108-Q112 WeakPolarHBondContact O-CG 3.28Å; Q108-Q112 PolarHBondContact O-N 2.76Å
109	R	56.6	Low	53.2	Low	158 Å²	158	80.1 Å²	80.1	60%	0.596	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-48.4	174	-173.2	-170.5	-58.8	169.6	2.7	110.8	L105 R106 F111 Q112 Y113	L105-R109 WeakPolarHBondContact O-CB 3.14Å; L105-R109 PolarHBondContact O-N 2.77Å; R106-R109 WeakPolarHBondContact O-CB 3.09Å; R106-R109 PolarHBondContact O-N 2.97Å; R106-R109 VanDerWaalsContact O-N 3.14Å; R109-F111 VanDerWaalsContact C-N 3.27Å; R109-F111 PolarHBondContact O-N 3.14Å; R109-Q112 WeakPolarHBondContact O-CB 3.47Å; R109-Q112 PolarHBondContact O-N 3.25Å; R109-Q112 VanDerWaalsContact O-N 3.15Å; R109-Y113 HydrophobicContact CG-CD2 4.39Å; R109-Y113 HydrophobicContact CG-CE2 3.87Å; R109-Y113 WeakPolarHBondContact O-CD2 3.43Å; R109-Y113 PolarHBondContact O-N 3.44Å
110	D	47.7	Very low	53.6	Low	61 Å²	61	82.7 Å²	82.7	33%	0.326	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-36.3	177.2	-66.9	-16.8	0	0	0	110.7	R106 T107 Q112 Y113 V114 Y163	R106-D110 PolarHBondContact O-N 3.45Å; T107-D110 PolarHBondContact O-N 3.49Å; D110-Q112 PolarHBondContact O-N 2.81Å; D110-Y113 WeakPolarHBondContact O-CB 3.45Å; D110-Y113 PolarHBondContact O-N 3.48Å; D110-V114 WeakPolarHBondContact O-CB 3.35Å; D110-V114 VanDerWaalsContact O-CG2 3.24Å; D110-V114 WeakPolarHBondContact O-CG2 3.47Å; D110-V114 PolarHBondContact O-N 3.07Å; D110-Y163 WeakPolarHBondContact CB-OH 3.34Å
111	F	50	Low	53.8	Low	80 Å²	80	83.7 Å²	83.7	35%	0.351	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-38	173.6	-175.1	-121.5	0	0	0	112.7	T107 Q108 R109 V114 L115 Y163	T107-F111 WeakPolarHBondContact O-CB 3.34Å; T107-F111 PolarHBondContact O-N 2.72Å; Q108-F111 WeakPolarHBondContact O-CB 3.5Å; Q108-F111 PolarHBondContact O-N 3.36Å; R109-F111 VanDerWaalsContact C-N 3.27Å; R109-F111 PolarHBondContact O-N 3.14Å; F111-V114 PolarHBondContact O-N 3.22Å; F111-L115 HydrophobicContact CD1-CD1 3.54Å; F111-L115 HydrophobicContact CD1-CG 4.2Å; F111-L115 HydrophobicContact CD2-CD1 4.43Å; F111-L115 HydrophobicContact CD2-CG 4.2Å; F111-L115 HydrophobicContact CE1-CD1 3.25Å; F111-L115 HydrophobicContact CE1-CD2 4.44Å; F111-L115 HydrophobicContact CE1-CG 3.95Å; F111-L115 HydrophobicContact CE2-CD1 4.19Å; F111-L115 HydrophobicContact CE2-CD2 4.17Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CG-CD1 4.15Å; F111-L115 HydrophobicContact CG-CG 4.33Å; F111-L115 HydrophobicContact CZ-CD1 3.61Å; F111-L115 HydrophobicContact CZ-CD2 3.93Å; F111-L115 HydrophobicContact CZ-CG 3.81Å; F111-L115 VanDerWaalsContact O-CB 3.29Å; F111-L115 WeakPolarHBondContact O-CB 3.27Å; F111-L115 VanDerWaalsContact O-CG 3.3Å; F111-L115 WeakPolarHBondContact O-CG 3.47Å; F111-L115 PolarHBondContact O-N 3Å; F111-Y163 HydrophobicContact CB-CE1 3.83Å; F111-Y163 AromaticContact CD2-CD1 3.93Å; F111-Y163 HydrophobicContact CD2-CD1 3.93Å; F111-Y163 AromaticContact CD2-CE1 3.62Å; F111-Y163 HydrophobicContact CD2-CE1 3.62Å; F111-Y163 HydrophobicContact CG-CE1 4.18Å; F111-Y163 PolarHBondContact N-OH 3.26Å
112	Q	53.3	Low	54.1	Low	128 Å²	128	84.4 Å²	84.4	60%	0.598	40%	0.398	S	S	*	.	H	α-helix	trans	-66.2	-36.9	175.3	-73	-69.5	-31.4	0	0	112.1	Q108 R109 D110 K116	Q108-Q112 WeakPolarHBondContact O-CG 3.28Å; Q108-Q112 PolarHBondContact O-N 2.76Å; R109-Q112 WeakPolarHBondContact O-CB 3.47Å; R109-Q112 PolarHBondContact O-N 3.25Å; R109-Q112 VanDerWaalsContact O-N 3.15Å; D110-Q112 PolarHBondContact O-N 2.81Å; Q112-K116 VanDerWaalsContact O-CB 3.23Å; Q112-K116 WeakPolarHBondContact O-CB 3.13Å; Q112-K116 PolarHBondContact O-N 2.85Å
113	Y	50.9	Low	54.7	Low	155 Å²	155	82.3 Å²	82.3	61%	0.608	39%	0.392	S	S	*	.	H	α-helix	trans	-65.7	-44.4	173.1	-73.1	-73.9	0	0	0	111.4	R109 D110 K116 M117	R109-Y113 HydrophobicContact CG-CD2 4.39Å; R109-Y113 HydrophobicContact CG-CE2 3.87Å; R109-Y113 WeakPolarHBondContact O-CD2 3.43Å; R109-Y113 PolarHBondContact O-N 3.44Å; D110-Y113 WeakPolarHBondContact O-CB 3.45Å; D110-Y113 PolarHBondContact O-N 3.48Å; Y113-K116 PolarHBondContact O-N 3.48Å; Y113-M117 VanDerWaalsContact O-CG 3.25Å; Y113-M117 WeakPolarHBondContact O-CG 3.35Å; Y113-M117 PolarHBondContact O-N 3.35Å
114	V	50.6	Low	55.3	Low	42 Å²	42	85.8 Å²	85.8	26%	0.255	41%	0.411	S	S	.	.	H	α-helix	trans	-65.5	-45.6	179.7	172.2	0	0	0	0	111.8	D110 F111 K116 M117 E118 L160	D110-V114 WeakPolarHBondContact O-CB 3.35Å; D110-V114 VanDerWaalsContact O-CG2 3.24Å; D110-V114 WeakPolarHBondContact O-CG2 3.47Å; D110-V114 PolarHBondContact O-N 3.07Å; F111-V114 PolarHBondContact O-N 3.22Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 2.94Å; V114-M117 WeakPolarHBondContact O-CB 3.49Å; V114-M117 PolarHBondContact O-N 3.48Å; V114-E118 PolarHBondContact O-N 3.25Å; V114-L160 HydrophobicContact CB-CD2 4.47Å; V114-L160 HydrophobicContact CG1-CD2 3.05Å; V114-L160 HydrophobicContact CG1-CG 4.47Å
115	L	50.5	Low	55.6	Low	51 Å²	51	90 Å²	90	27%	0.267	43%	0.427	S	S	.	.	H	α-helix	trans	-60.5	-42.1	173.4	-79.8	173.1	0	0	0	111.8	F111 M117 E118 T119	F111-L115 HydrophobicContact CD1-CD1 3.54Å; F111-L115 HydrophobicContact CD1-CG 4.2Å; F111-L115 HydrophobicContact CD2-CD1 4.43Å; F111-L115 HydrophobicContact CD2-CG 4.2Å; F111-L115 HydrophobicContact CE1-CD1 3.25Å; F111-L115 HydrophobicContact CE1-CD2 4.44Å; F111-L115 HydrophobicContact CE1-CG 3.95Å; F111-L115 HydrophobicContact CE2-CD1 4.19Å; F111-L115 HydrophobicContact CE2-CD2 4.17Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CG-CD1 4.15Å; F111-L115 HydrophobicContact CG-CG 4.33Å; F111-L115 HydrophobicContact CZ-CD1 3.61Å; F111-L115 HydrophobicContact CZ-CD2 3.93Å; F111-L115 HydrophobicContact CZ-CG 3.81Å; F111-L115 VanDerWaalsContact O-CB 3.29Å; F111-L115 WeakPolarHBondContact O-CB 3.27Å; F111-L115 VanDerWaalsContact O-CG 3.3Å; F111-L115 WeakPolarHBondContact O-CG 3.47Å; F111-L115 PolarHBondContact O-N 3Å; L115-M117 VanDerWaalsContact C-N 3.33Å; L115-M117 PolarHBondContact O-N 3.46Å; L115-E118 PolarHBondContact O-N 3.31Å; L115-T119 WeakPolarHBondContact O-CB 3.44Å; L115-T119 PolarHBondContact O-N 3.32Å; L115-T119 PolarHBondContact O-OG1 3.01Å
116	K	55.2	Low	56.1	Low	134 Å²	134	88.3 Å²	88.3	58%	0.583	43%	0.427	S	S	*	.	H	α-helix	trans	-63.5	-41	176.9	-172	176.2	-177.7	178.1	0	111.3	Q112 Y113 V114 T119 Q120	Q112-K116 VanDerWaalsContact O-CB 3.23Å; Q112-K116 WeakPolarHBondContact O-CB 3.13Å; Q112-K116 PolarHBondContact O-N 2.85Å; Y113-K116 PolarHBondContact O-N 3.48Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 2.94Å; K116-T119 PolarHBondContact O-N 3.01Å; K116-Q120 WeakPolarHBondContact O-CB 3.36Å; K116-Q120 VanDerWaalsContact O-CG 3.26Å; K116-Q120 WeakPolarHBondContact O-CG 3.43Å; K116-Q120 PolarHBondContact O-N 3.34Å
117	M	54.7	Low	56.6	Low	104 Å²	104	90.6 Å²	90.6	51%	0.512	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-43.2	174.1	-70.9	-66.4	-69.5	0	0	111.6	Y113 V114 L115 T119 Q120 M121	Y113-M117 VanDerWaalsContact O-CG 3.25Å; Y113-M117 WeakPolarHBondContact O-CG 3.35Å; Y113-M117 PolarHBondContact O-N 3.35Å; V114-M117 WeakPolarHBondContact O-CB 3.49Å; V114-M117 PolarHBondContact O-N 3.48Å; L115-M117 VanDerWaalsContact C-N 3.33Å; L115-M117 PolarHBondContact O-N 3.46Å; M117-T119 VanDerWaalsContact C-N 3.34Å; M117-T119 PolarHBondContact O-N 3.12Å; M117-Q120 CarbonylContact O-C 3.32Å; M117-Q120 WeakPolarHBondContact O-CB 3.38Å; M117-Q120 PolarHBondContact O-N 3.5Å; M117-M121 WeakPolarHBondContact O-CB 3.5Å; M117-M121 PolarHBondContact O-N 3.13Å
118	E	54.7	Low	57.1	Low	55 Å²	55	91.2 Å²	91.2	26%	0.257	44%	0.44	S	S	.	.	H	α-helix	trans	-61	-42.4	175.1	-172	-167.3	169.8	0	0	111.7	V114 L115 Q120 M121 K122 L160	V114-E118 PolarHBondContact O-N 3.25Å; L115-E118 PolarHBondContact O-N 3.31Å; E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 2.91Å; E118-M121 PolarHBondContact O-N 3.44Å; E118-K122 HydrophobicContact CG-CD 4.32Å; E118-K122 WeakPolarHBondContact O-CB 3.4Å; E118-K122 WeakPolarHBondContact O-CG 3.29Å; E118-K122 PolarHBondContact O-N 3.34Å; E118-K122 VanDerWaalsContact OE1-CE 3.25Å; E118-K122 WeakPolarHBondContact OE1-CE 3.22Å; E118-K122 IonicContact OE1-NZ 2.64Å; E118-K122 PolarHBondContact OE1-NZ 3.2Å; E118-L160 HydrophobicContact CB-CD1 4.21Å; E118-L160 HydrophobicContact CB-CD2 4.43Å; E118-L160 HydrophobicContact CG-CD1 4.06Å
119	T	62	Low	57.6	Low	94 Å²	94	94.3 Å²	94.3	58%	0.577	45%	0.448	S	S	*	.	H	α-helix	trans	-65.3	-39.6	177.4	-40.5	0	0	0	0	110.8	L115 K116 M117 G123	L115-T119 WeakPolarHBondContact O-CB 3.44Å; L115-T119 PolarHBondContact O-N 3.32Å; L115-T119 PolarHBondContact O-OG1 3.01Å; K116-T119 PolarHBondContact O-N 3.01Å; M117-T119 VanDerWaalsContact C-N 3.34Å; M117-T119 PolarHBondContact O-N 3.12Å; T119-G123 PolarHBondContact O-N 3.36Å
120	Q	56.7	Low	57.9	Low	114 Å²	114	93 Å²	93	53%	0.533	45%	0.449	S	S	.	.	H	α-helix	trans	-65.5	-39.7	173.1	-73.9	176.9	-44.3	0	0	111.6	K116 M117 E118 G123 L124	K116-Q120 WeakPolarHBondContact O-CB 3.36Å; K116-Q120 VanDerWaalsContact O-CG 3.26Å; K116-Q120 WeakPolarHBondContact O-CG 3.43Å; K116-Q120 PolarHBondContact O-N 3.34Å; M117-Q120 CarbonylContact O-C 3.32Å; M117-Q120 WeakPolarHBondContact O-CB 3.38Å; M117-Q120 PolarHBondContact O-N 3.5Å; E118-Q120 VanDerWaalsContact C-N 3.33Å; E118-Q120 PolarHBondContact O-N 2.91Å; Q120-G123 PolarHBondContact O-N 3.01Å; Q120-L124 WeakPolarHBondContact O-CB 3.18Å; Q120-L124 PolarHBondContact O-N 2.82Å
121	M	57.5	Low	58.4	Low	35 Å²	35	94.4 Å²	94.4	17%	0.172	46%	0.455	C	S	.	.	H	α-helix	trans	-68.8	-41.7	179.3	-146.7	155.9	82.6	0	0	111.6	M117 E118 L124 K125 L153 L156 I157 L160	M117-M121 WeakPolarHBondContact O-CB 3.5Å; M117-M121 PolarHBondContact O-N 3.13Å; E118-M121 PolarHBondContact O-N 3.44Å; M121-L124 PolarHBondContact O-N 3.27Å; M121-K125 WeakPolarHBondContact O-CB 3.28Å; M121-K125 PolarHBondContact O-N 2.89Å; M121-L153 HydrophobicContact CG-CD1 4.45Å; M121-L153 HydrophobicContact SD-CB 4.01Å; M121-L153 HydrophobicContact SD-CD2 4.24Å; M121-L153 HydrophobicContact SD-CG 4.48Å; M121-L156 HydrophobicContact CE-CB 4.47Å; M121-I157 HydrophobicContact CE-CD1 4.39Å; M121-I157 HydrophobicContact CE-CG1 3.66Å; M121-L160 HydrophobicContact CE-CD1 4.07Å
122	K	65.6	Low	58.4	Low	129 Å²	129	95.3 Å²	95.3	56%	0.561	46%	0.46	S	S	*	.	H	α-helix	trans	-63.3	-42.6	171.1	-78.2	174.1	171	166.3	0	111.7	E118 L124 K125 A126	E118-K122 HydrophobicContact CG-CD 4.32Å; E118-K122 WeakPolarHBondContact O-CB 3.4Å; E118-K122 WeakPolarHBondContact O-CG 3.29Å; E118-K122 PolarHBondContact O-N 3.34Å; E118-K122 VanDerWaalsContact OE1-CE 3.25Å; E118-K122 WeakPolarHBondContact OE1-CE 3.22Å; E118-K122 IonicContact OE1-NZ 2.64Å; E118-K122 PolarHBondContact OE1-NZ 3.2Å; K122-L124 VanDerWaalsContact C-N 3.34Å; K122-K125 PolarHBondContact O-N 3.34Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.89Å
123	G	68.1	Low	58.8	Low	34 Å²	34	96 Å²	96	35%	0.351	47%	0.468	S	S	.	.	H	α-helix	trans	-63.8	-38	175	0	0	0	0	0	113	T119 Q120 K127	T119-G123 PolarHBondContact O-N 3.36Å; Q120-G123 PolarHBondContact O-N 3.01Å; G123-K127 WeakPolarHBondContact O-CG 3.37Å; G123-K127 PolarHBondContact O-N 3.37Å; G123-K127 VanDerWaalsContact O-N 3.08Å
124	L	62.2	Low	59.3	Low	87 Å²	87	94.8 Å²	94.8	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-42	174.9	-152.3	76.7	0	0	0	111	Q120 M121 K122 K127 F128 L153	Q120-L124 WeakPolarHBondContact O-CB 3.18Å; Q120-L124 PolarHBondContact O-N 2.82Å; M121-L124 PolarHBondContact O-N 3.27Å; K122-L124 VanDerWaalsContact C-N 3.34Å; L124-K127 PolarHBondContact O-N 2.96Å; L124-F128 WeakPolarHBondContact O-CB 3.44Å; L124-F128 PolarHBondContact O-N 3.48Å; L124-L153 HydrophobicContact CD2-CD1 4.34Å
125	K	58.8	Low	59.4	Low	119 Å²	119	97 Å²	97	52%	0.517	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-37.5	176.2	-167.7	173.9	-176	173	0	113	M121 K122 F128 R129	M121-K125 WeakPolarHBondContact O-CB 3.28Å; M121-K125 PolarHBondContact O-N 2.89Å; K122-K125 PolarHBondContact O-N 3.34Å; K125-F128 WeakPolarHBondContact O-CB 3.49Å; K125-F128 PolarHBondContact O-N 2.82Å; K125-R129 PolarHBondContact O-N 3.42Å; K125-R129 VanDerWaalsContact O-N 3.11Å
126	A	67.9	Low	59.6	Low	60 Å²	60	104.9 Å²	104.9	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-69.2	-44.7	175.9	0	0	0	0	0	112	K122 F128 R129 Q130	K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.89Å; A126-F128 PolarHBondContact O-N 3.27Å; A126-R129 PolarHBondContact O-N 3.36Å; A126-Q130 PolarHBondContact O-N 3.5Å; A126-Q130 VanDerWaalsContact O-N 3.15Å
127	K	63	Low	59.5	Low	139 Å²	139	102.3 Å²	102.3	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-61.8	-34.2	172.7	-74	-180	178.7	-176	0	112.1	G123 L124 Q130 I131	G123-K127 WeakPolarHBondContact O-CG 3.37Å; G123-K127 PolarHBondContact O-N 3.37Å; G123-K127 VanDerWaalsContact O-N 3.08Å; L124-K127 PolarHBondContact O-N 2.96Å; K127-Q130 PolarHBondContact O-N 3.34Å; K127-I131 WeakPolarHBondContact O-CB 3.25Å; K127-I131 WeakPolarHBondContact O-CD1 3.1Å; K127-I131 WeakPolarHBondContact O-CG1 3.45Å; K127-I131 PolarHBondContact O-N 2.82Å
128	F	59.9	Low	59.3	Low	36 Å²	36	104.2 Å²	104.2	16%	0.158	52%	0.523	C	S	.	.	H	α-helix	trans	-64	-46.7	175.3	-171.7	-89	0	0	0	112.2	L124 K125 A126 Q130 I131 E132 F143 L146 M150	L124-F128 WeakPolarHBondContact O-CB 3.44Å; L124-F128 PolarHBondContact O-N 3.48Å; K125-F128 WeakPolarHBondContact O-CB 3.49Å; K125-F128 PolarHBondContact O-N 2.82Å; A126-F128 PolarHBondContact O-N 3.27Å; F128-Q130 VanDerWaalsContact C-N 3.29Å; F128-Q130 PolarHBondContact O-N 2.88Å; F128-I131 CarbonylContact O-C 3.46Å; F128-I131 PolarHBondContact O-N 3.23Å; F128-I131 VanDerWaalsContact O-N 3.17Å; F128-E132 VanDerWaalsContact CE1-OE2 3.3Å; F128-E132 WeakPolarHBondContact CE1-OE2 3.35Å; F128-E132 VanDerWaalsContact O-CB 3.29Å; F128-E132 WeakPolarHBondContact O-CB 3.35Å; F128-E132 PolarHBondContact O-N 3.41Å; F128-F143 HydrophobicContact CE1-CZ 4.23Å; F128-F143 AromaticContact CE2-CE2 3.76Å; F128-F143 HydrophobicContact CE2-CE2 3.76Å; F128-F143 AromaticContact CE2-CZ 3.83Å; F128-F143 HydrophobicContact CE2-CZ 3.83Å; F128-F143 HydrophobicContact CZ-CE1 4.16Å; F128-F143 AromaticContact CZ-CE2 3.72Å; F128-F143 HydrophobicContact CZ-CE2 3.72Å; F128-F143 AromaticContact CZ-CZ 3.35Å; F128-F143 HydrophobicContact CZ-CZ 3.35Å; F128-L146 HydrophobicContact CD2-CD2 4.14Å; F128-L146 HydrophobicContact CE2-CD2 4.47Å; F128-M150 HydrophobicContact CB-CE 4.41Å; F128-M150 HydrophobicContact CD2-CE 3.88Å; F128-M150 HydrophobicContact CE2-CE 4.25Å; F128-M150 HydrophobicContact CG-CE 4.07Å
129	R	63.6	Low	59.5	Low	166 Å²	166	108 Å²	108	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-58.9	-42.8	175.3	-77.7	-174.2	175.9	-178.3	-2.8	112	K125 A126 I131 E132 D133	K125-R129 PolarHBondContact O-N 3.42Å; K125-R129 VanDerWaalsContact O-N 3.11Å; A126-R129 PolarHBondContact O-N 3.36Å; R129-I131 VanDerWaalsContact C-N 3.33Å; R129-I131 PolarHBondContact O-N 2.64Å; R129-E132 PolarHBondContact O-N 2.96Å; R129-D133 PolarHBondContact O-N 2.78Å
130	Q	63.3	Low	59.3	Low	131 Å²	131	109.2 Å²	109.2	61%	0.612	55%	0.55	S	S	*	.	H	α-helix	trans	-63.2	-40.6	177	-163.2	172.8	14.7	0	0	111.8	A126 K127 F128 D134	A126-Q130 PolarHBondContact O-N 3.5Å; A126-Q130 VanDerWaalsContact O-N 3.15Å; K127-Q130 PolarHBondContact O-N 3.34Å; F128-Q130 VanDerWaalsContact C-N 3.29Å; F128-Q130 PolarHBondContact O-N 2.88Å; Q130-D134 PolarHBondContact O-N 2.87Å
131	I	58.1	Low	59.2	Low	90 Å²	90	111.1 Å²	111.1	46%	0.462	56%	0.557	S	S	.	*	H	α-helix	trans	-69.9	-35.9	175.5	-69.6	165.1	0	0	0	111.5	K127 F128 R129 D134 R135	K127-I131 WeakPolarHBondContact O-CB 3.25Å; K127-I131 WeakPolarHBondContact O-CD1 3.1Å; K127-I131 WeakPolarHBondContact O-CG1 3.45Å; K127-I131 PolarHBondContact O-N 2.82Å; F128-I131 CarbonylContact O-C 3.46Å; F128-I131 PolarHBondContact O-N 3.23Å; F128-I131 VanDerWaalsContact O-N 3.17Å; R129-I131 VanDerWaalsContact C-N 3.33Å; R129-I131 PolarHBondContact O-N 2.64Å; I131-D134 CarbonylContact O-C 3.54Å; I131-D134 PolarHBondContact O-N 3.21Å; I131-R135 VanDerWaalsContact O-CB 3.26Å; I131-R135 WeakPolarHBondContact O-CB 3.23Å; I131-R135 PolarHBondContact O-N 2.75Å; I131-R135 VanDerWaalsContact O-N 3.12Å
132	E	50.8	Low	59.1	Low	99 Å²	99	116.3 Å²	116.3	46%	0.463	58%	0.58	S	S	.	*	H	α-helix	trans	-68.8	-37.6	178.7	-170.4	165.6	-153.2	0	0	112.2	F128 R129 D134 R135	F128-E132 VanDerWaalsContact CE1-OE2 3.3Å; F128-E132 WeakPolarHBondContact CE1-OE2 3.35Å; F128-E132 VanDerWaalsContact O-CB 3.29Å; F128-E132 WeakPolarHBondContact O-CB 3.35Å; F128-E132 PolarHBondContact O-N 3.41Å; R129-E132 PolarHBondContact O-N 2.96Å; E132-D134 VanDerWaalsContact C-N 3.32Å; E132-R135 VanDerWaalsContact O-CB 3.3Å; E132-R135 WeakPolarHBondContact O-CB 3.02Å; E132-R135 PolarHBondContact O-N 3.33Å; E132-R135 VanDerWaalsContact O-N 3.1Å
133	D	60.9	Low	58.7	Low	141 Å²	141	111.6 Å²	111.6	75%	0.754	56%	0.56	S	S	*	*	H	α-helix	trans	-67	-33.5	171.6	-72.6	-25.1	0	0	0	111.8	R129 R135	R129-D133 PolarHBondContact O-N 2.78Å; D133-R135 VanDerWaalsContact C-N 3.26Å; D133-R135 PolarHBondContact O-N 3.44Å
134	D	62.2	Low	58.1	Low	131 Å²	131	114.6 Å²	114.6	70%	0.701	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-7.7	172.4	-70.4	-22.9	0	0	0	112.7	Q130 I131 E132 K136	Q130-D134 PolarHBondContact O-N 2.87Å; I131-D134 CarbonylContact O-C 3.54Å; I131-D134 PolarHBondContact O-N 3.21Å; E132-D134 VanDerWaalsContact C-N 3.32Å; D134-K136 PolarHBondContact O-N 2.81Å
135	R	52.1	Low	57.9	Low	87 Å²	87	115.7 Å²	115.7	33%	0.328	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.6	50.5	-167.1	-145	176.8	83	116.8	-7	115.7	I131 E132 D133 A137 F143	I131-R135 VanDerWaalsContact O-CB 3.26Å; I131-R135 WeakPolarHBondContact O-CB 3.23Å; I131-R135 PolarHBondContact O-N 2.75Å; I131-R135 VanDerWaalsContact O-N 3.12Å; E132-R135 VanDerWaalsContact O-CB 3.3Å; E132-R135 WeakPolarHBondContact O-CB 3.02Å; E132-R135 PolarHBondContact O-N 3.33Å; E132-R135 VanDerWaalsContact O-N 3.1Å; D133-R135 VanDerWaalsContact C-N 3.26Å; D133-R135 PolarHBondContact O-N 3.44Å; R135-A137 VanDerWaalsContact C-N 3.32Å; R135-F143 VanDerWaalsContact CD-CD2 3.47Å; R135-F143 VanDerWaalsContact CZ-CD2 3.48Å; R135-F143 VanDerWaalsContact NE-CE2 3.28Å; R135-F143 VanDerWaalsContact NH1-CB 3.33Å
136	K	54.5	Low	57.7	Low	217 Å²	217	113.8 Å²	113.8	94%	0.943	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-7.1	148.5	-92	-177	178.5	176.6	0	113	D134	D134-K136 PolarHBondContact O-N 2.81Å
137	A	52.5	Low	57	Low	80 Å²	80	115.8 Å²	115.8	66%	0.661	56%	0.56	S	S	*	*	S	Bend	trans	-153.9	74	179.3	0	0	0	0	0	113.9	R135	R135-A137 VanDerWaalsContact C-N 3.32Å
138	L	51.8	Low	56.8	Low	144 Å²	144	114.1 Å²	114.1	75%	0.754	55%	0.554	S	S	*	*	S	Bend	trans	-165.8	120.3	149.6	-134.6	73.7	0	0	0	115.4
139	M	57.8	Low	56.7	Low	135 Å²	135	118.8 Å²	118.8	67%	0.665	57%	0.574	S	S	*	*			trans	35.2	98.9	153.6	-58.6	-59.9	-78.8	0	0	120.4	K141 H142	M139-K141 PolarHBondContact O-N 2.92Å; M139-K141 VanDerWaalsContact O-N 3.08Å; M139-H142 PolarHBondContact O-N 3.16Å
140	T	57.8	Low	56.3	Low	119 Å²	119	113.1 Å²	113.1	73%	0.73	56%	0.555	S	S	*	*	H	α-helix	trans	-53.7	-23.7	178.5	-29.1	0	0	0	0	115.9	Q144	T140-Q144 PolarHBondContact O-N 2.88Å
141	K	54.4	Low	56	Low	155 Å²	155	111.2 Å²	111.2	67%	0.674	55%	0.55	S	S	*	.	H	α-helix	trans	-80.6	-42.5	-175.4	-161.3	177.8	-179	-178.2	0	113.6	M139 F143 Q144 E145	M139-K141 PolarHBondContact O-N 2.92Å; M139-K141 VanDerWaalsContact O-N 3.08Å; K141-F143 VanDerWaalsContact C-N 3.26Å; K141-F143 PolarHBondContact O-N 3.44Å; K141-Q144 PolarHBondContact O-N 2.82Å; K141-E145 PolarHBondContact O-N 3.19Å
142	H	56.4	Low	55.8	Low	143 Å²	143	113.9 Å²	113.9	66%	0.662	56%	0.56	S	S	*	*	H	α-helix	trans	-67.6	-31.7	175.2	-78.3	78.8	0	0	0	111.3	M139 L146	M139-H142 PolarHBondContact O-N 3.16Å; H142-L146 WeakPolarHBondContact O-CB 3.48Å; H142-L146 PolarHBondContact O-N 3.31Å
143	F	57.1	Low	55.9	Low	31 Å²	31	111.3 Å²	111.3	14%	0.136	55%	0.549	C	S	.	.	H	α-helix	trans	-72.3	-32.4	178	-158.6	-97.5	0	0	0	112.9	F128 R135 K141 L146 K147	F128-F143 HydrophobicContact CE1-CZ 4.23Å; F128-F143 AromaticContact CE2-CE2 3.76Å; F128-F143 HydrophobicContact CE2-CE2 3.76Å; F128-F143 AromaticContact CE2-CZ 3.83Å; F128-F143 HydrophobicContact CE2-CZ 3.83Å; F128-F143 HydrophobicContact CZ-CE1 4.16Å; F128-F143 AromaticContact CZ-CE2 3.72Å; F128-F143 HydrophobicContact CZ-CE2 3.72Å; F128-F143 AromaticContact CZ-CZ 3.35Å; F128-F143 HydrophobicContact CZ-CZ 3.35Å; R135-F143 VanDerWaalsContact CD-CD2 3.47Å; R135-F143 VanDerWaalsContact CZ-CD2 3.48Å; R135-F143 VanDerWaalsContact NE-CE2 3.28Å; R135-F143 VanDerWaalsContact NH1-CB 3.33Å; K141-F143 VanDerWaalsContact C-N 3.26Å; K141-F143 PolarHBondContact O-N 3.44Å; F143-L146 PolarHBondContact O-N 3.38Å; F143-K147 VanDerWaalsContact O-CB 3.22Å; F143-K147 WeakPolarHBondContact O-CB 3.4Å; F143-K147 PolarHBondContact O-N 3.13Å
144	Q	54.8	Low	55.3	Low	96 Å²	96	108.9 Å²	108.9	45%	0.449	54%	0.536	S	S	.	.	H	α-helix	trans	-70.3	-46.5	178.3	-166.4	66.6	18.4	0	0	111.5	T140 K141 L146 K147 E148	T140-Q144 PolarHBondContact O-N 2.88Å; K141-Q144 PolarHBondContact O-N 2.82Å; Q144-L146 VanDerWaalsContact C-N 3.26Å; Q144-L146 PolarHBondContact O-N 2.88Å; Q144-K147 PolarHBondContact O-N 3.4Å; Q144-E148 WeakPolarHBondContact O-CG 3.35Å; Q144-E148 PolarHBondContact O-N 3.25Å
145	E	57.6	Low	54.9	Low	111 Å²	111	106.7 Å²	106.7	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-61.2	-35.1	173.8	-75.4	176.6	-178.6	0	0	112	K141 K149	K141-E145 PolarHBondContact O-N 3.19Å; E145-K149 WeakPolarHBondContact O-CG 3.31Å; E145-K149 PolarHBondContact O-N 3.2Å
146	L	55.3	Low	54.7	Low	78 Å²	78	105.3 Å²	105.3	41%	0.408	53%	0.527	S	S	.	.	H	α-helix	trans	-75.5	-33.8	177.9	-142.6	85.5	0	0	0	112.7	F128 H142 F143 Q144 K149 M150	F128-L146 HydrophobicContact CD2-CD2 4.14Å; F128-L146 HydrophobicContact CE2-CD2 4.47Å; H142-L146 WeakPolarHBondContact O-CB 3.48Å; H142-L146 PolarHBondContact O-N 3.31Å; F143-L146 PolarHBondContact O-N 3.38Å; Q144-L146 VanDerWaalsContact C-N 3.26Å; Q144-L146 PolarHBondContact O-N 2.88Å; L146-K149 PolarHBondContact O-N 3.11Å; L146-M150 PolarHBondContact O-N 3.02Å; L146-M150 VanDerWaalsContact O-N 3.14Å
147	K	52.8	Low	54.5	Low	102 Å²	102	98.8 Å²	98.8	44%	0.443	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-42.1	174.5	-175.8	-179.9	176.2	-175.7	0	111	F143 Q144 K149 M150 D151	F143-K147 VanDerWaalsContact O-CB 3.22Å; F143-K147 WeakPolarHBondContact O-CB 3.4Å; F143-K147 PolarHBondContact O-N 3.13Å; Q144-K147 PolarHBondContact O-N 3.4Å; K147-K149 VanDerWaalsContact C-N 3.31Å; K147-K149 PolarHBondContact O-N 2.92Å; K147-M150 WeakPolarHBondContact O-CA 3.2Å; K147-M150 WeakPolarHBondContact O-CB 3.38Å; K147-M150 PolarHBondContact O-N 2.87Å; K147-D151 PolarHBondContact O-N 3.33Å
148	E	59	Low	54.1	Low	105 Å²	105	99.2 Å²	99.2	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-58.3	-43.1	172.7	-77.1	171.6	179.2	0	0	111.4	Q144 M150 D151 E152	Q144-E148 WeakPolarHBondContact O-CG 3.35Å; Q144-E148 PolarHBondContact O-N 3.25Å; E148-M150 VanDerWaalsContact C-N 3.25Å; E148-M150 PolarHBondContact O-N 3.43Å; E148-D151 PolarHBondContact O-N 3.44Å; E148-E152 WeakPolarHBondContact O-CG 3.38Å; E148-E152 PolarHBondContact O-N 3.33Å
149	K	57.9	Low	53.8	Low	134 Å²	134	94.3 Å²	94.3	58%	0.583	47%	0.474	S	S	*	.	H	α-helix	trans	-64.7	-25.4	172.9	-72.4	-166.5	-179.6	-170.4	0	114.3	E145 L146 K147 L153	E145-K149 WeakPolarHBondContact O-CG 3.31Å; E145-K149 PolarHBondContact O-N 3.2Å; L146-K149 PolarHBondContact O-N 3.11Å; K147-K149 VanDerWaalsContact C-N 3.31Å; K147-K149 PolarHBondContact O-N 2.92Å; K149-L153 WeakPolarHBondContact O-CD1 3.26Å; K149-L153 VanDerWaalsContact O-CG 3.24Å; K149-L153 WeakPolarHBondContact O-CG 3.23Å; K149-L153 PolarHBondContact O-N 2.83Å
150	M	55.8	Low	53.3	Low	46 Å²	46	89.8 Å²	89.8	23%	0.227	45%	0.452	C	S	.	.	H	α-helix	trans	-79	-39.1	175.7	-164.9	84.1	74.4	0	0	111.2	F128 L146 K147 E148 E152 L153 L154	F128-M150 HydrophobicContact CB-CE 4.41Å; F128-M150 HydrophobicContact CD2-CE 3.88Å; F128-M150 HydrophobicContact CE2-CE 4.25Å; F128-M150 HydrophobicContact CG-CE 4.07Å; L146-M150 PolarHBondContact O-N 3.02Å; L146-M150 VanDerWaalsContact O-N 3.14Å; K147-M150 WeakPolarHBondContact O-CA 3.2Å; K147-M150 WeakPolarHBondContact O-CB 3.38Å; K147-M150 PolarHBondContact O-N 2.87Å; E148-M150 VanDerWaalsContact C-N 3.25Å; E148-M150 PolarHBondContact O-N 3.43Å; M150-E152 PolarHBondContact O-N 3.3Å; M150-L153 PolarHBondContact O-N 2.86Å; M150-L154 WeakPolarHBondContact O-CG 3.38Å; M150-L154 PolarHBondContact O-N 3.39Å
151	D	55.6	Low	52.9	Low	92 Å²	92	89.4 Å²	89.4	49%	0.492	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-31.3	173.6	-71	-24.2	0	0	0	111.2	K147 E148 L153 P155	K147-D151 PolarHBondContact O-N 3.33Å; E148-D151 PolarHBondContact O-N 3.44Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-P155 VanDerWaalsContact O-CD 3.22Å; D151-P155 WeakPolarHBondContact O-CD 3.26Å
152	E	53.7	Low	52.5	Low	145 Å²	145	83.9 Å²	83.9	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-68	-27.9	169.1	-74	179.8	174.6	0	0	113.9	E148 M150	E148-E152 WeakPolarHBondContact O-CG 3.38Å; E148-E152 PolarHBondContact O-N 3.33Å; M150-E152 PolarHBondContact O-N 3.3Å
153	L	53.1	Low	52.1	Low	45 Å²	45	79 Å²	79	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-95.5	-23.7	-175.7	-70.2	172.2	0	0	0	113.6	M121 L124 K149 M150 D151 P155 L156	M121-L153 HydrophobicContact CG-CD1 4.45Å; M121-L153 HydrophobicContact SD-CB 4.01Å; M121-L153 HydrophobicContact SD-CD2 4.24Å; M121-L153 HydrophobicContact SD-CG 4.48Å; L124-L153 HydrophobicContact CD2-CD1 4.34Å; K149-L153 WeakPolarHBondContact O-CD1 3.26Å; K149-L153 VanDerWaalsContact O-CG 3.24Å; K149-L153 WeakPolarHBondContact O-CG 3.23Å; K149-L153 PolarHBondContact O-N 2.83Å; M150-L153 PolarHBondContact O-N 2.86Å; D151-L153 VanDerWaalsContact C-N 3.34Å; L153-P155 VanDerWaalsContact C-CD 3.45Å; L153-L156 HydrophobicContact CB-CD1 4.43Å; L153-L156 HydrophobicContact CD2-CD1 3.46Å; L153-L156 VanDerWaalsContact CD2-CD1 3.46Å; L153-L156 VanDerWaalsContact O-CB 3.26Å; L153-L156 WeakPolarHBondContact O-CB 3.34Å; L153-L156 PolarHBondContact O-N 2.65Å
154	L	48.8	Very low	51.8	Low	91 Å²	91	82.6 Å²	82.6	48%	0.476	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-39.7	178.2	-87.8	162.7	0	0	0	114.3	M150 L156 I157	M150-L154 WeakPolarHBondContact O-CG 3.38Å; M150-L154 PolarHBondContact O-N 3.39Å; L154-L156 PolarHBondContact O-N 2.95Å; L154-L156 VanDerWaalsContact O-N 3.11Å; L154-I157 HydrophobicContact CD2-CD1 4.3Å; L154-I157 PolarHBondContact O-N 2.97Å
155	P	53.8	Low	51.7	Low	84 Å²	84	81.2 Å²	81.2	55%	0.545	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.7	174.6	-23.2	33.9	0	0	0	114.6	D151 L153 V159	D151-P155 VanDerWaalsContact O-CD 3.22Å; D151-P155 WeakPolarHBondContact O-CD 3.26Å; L153-P155 VanDerWaalsContact C-CD 3.45Å; P155-V159 VanDerWaalsContact O-CG2 3.26Å; P155-V159 WeakPolarHBondContact O-CG2 3.29Å
156	L	48.5	Very low	51.3	Low	58 Å²	58	77.2 Å²	77.2	30%	0.304	39%	0.391	S	S	.	.	H	α-helix	trans	-81.7	-14.7	178.8	-65.9	160.4	0	0	0	113.5	M121 L153 L154 V159 L160 F469	M121-L156 HydrophobicContact CE-CB 4.47Å; L153-L156 HydrophobicContact CB-CD1 4.43Å; L153-L156 HydrophobicContact CD2-CD1 3.46Å; L153-L156 VanDerWaalsContact CD2-CD1 3.46Å; L153-L156 VanDerWaalsContact O-CB 3.26Å; L153-L156 WeakPolarHBondContact O-CB 3.34Å; L153-L156 PolarHBondContact O-N 2.65Å; L154-L156 PolarHBondContact O-N 2.95Å; L154-L156 VanDerWaalsContact O-N 3.11Å; L156-V159 WeakPolarHBondContact O-CB 3.3Å; L156-V159 PolarHBondContact O-N 2.8Å; L156-L160 WeakPolarHBondContact O-CG 3.22Å; L156-L160 PolarHBondContact O-N 2.72Å; L156-L160 VanDerWaalsContact O-N 3.13Å; L156-F469 HydrophobicContact CD2-CE2 4.26Å
157	I	50.4	Low	51.3	Low	80 Å²	80	75 Å²	75	41%	0.41	38%	0.384	S	S	.	.	H	α-helix	trans	-70	-47.8	-178.9	-65.1	174.8	0	0	0	112.3	M121 L154 V159 L160 E161	M121-I157 HydrophobicContact CE-CD1 4.39Å; M121-I157 HydrophobicContact CE-CG1 3.66Å; L154-I157 HydrophobicContact CD2-CD1 4.3Å; L154-I157 PolarHBondContact O-N 2.97Å; I157-V159 PolarHBondContact O-N 2.81Å; I157-L160 WeakPolarHBondContact O-CB 2.87Å; I157-L160 PolarHBondContact O-N 3.46Å; I157-L160 VanDerWaalsContact O-N 3.13Å; I157-E161 PolarHBondContact O-N 2.89Å
158	P	44.5	Very low	51.6	Low	90 Å²	90	76.4 Å²	76.4	58%	0.584	39%	0.39	S	S	*	.	H	α-helix	trans	-58.8	-32.1	173	-22.1	32.7	0	0	0	112.4	E161 Q162	P158-E161 PolarHBondContact O-N 2.74Å; P158-Q162 WeakPolarHBondContact O-CB 3.49Å; P158-Q162 PolarHBondContact O-N 2.83Å
159	V	43.7	Very low	51.4	Low	41 Å²	41	74.7 Å²	74.7	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-65.3	-39.1	177.6	-176.5	0	0	0	0	111.4	P155 L156 I157 Q162 Y163 F469	P155-V159 VanDerWaalsContact O-CG2 3.26Å; P155-V159 WeakPolarHBondContact O-CG2 3.29Å; L156-V159 WeakPolarHBondContact O-CB 3.3Å; L156-V159 PolarHBondContact O-N 2.8Å; I157-V159 PolarHBondContact O-N 2.81Å; V159-Q162 PolarHBondContact O-N 3.43Å; V159-Y163 WeakPolarHBondContact O-CB 3.48Å; V159-Y163 PolarHBondContact O-N 3.24Å; V159-F469 HydrophobicContact CB-CE2 4.26Å; V159-F469 HydrophobicContact CB-CZ 4.35Å; V159-F469 HydrophobicContact CG1-CE2 3.69Å; V159-F469 HydrophobicContact CG1-CZ 4.14Å; V159-F469 HydrophobicContact CG2-CE1 4.37Å; V159-F469 HydrophobicContact CG2-CE2 3.59Å; V159-F469 HydrophobicContact CG2-CZ 3.26Å
160	L	49	Very low	51.3	Low	39 Å²	39	68.8 Å²	68.8	20%	0.204	36%	0.359	C	S	.	.	H	α-helix	trans	-67.2	-42.6	178	-73.4	168.4	0	0	0	112.5	V114 E118 M121 L156 I157 Q162 Y163 K164	V114-L160 HydrophobicContact CB-CD2 4.47Å; V114-L160 HydrophobicContact CG1-CD2 3.05Å; V114-L160 HydrophobicContact CG1-CG 4.47Å; E118-L160 HydrophobicContact CB-CD1 4.21Å; E118-L160 HydrophobicContact CB-CD2 4.43Å; E118-L160 HydrophobicContact CG-CD1 4.06Å; M121-L160 HydrophobicContact CE-CD1 4.07Å; L156-L160 WeakPolarHBondContact O-CG 3.22Å; L156-L160 PolarHBondContact O-N 2.72Å; L156-L160 VanDerWaalsContact O-N 3.13Å; I157-L160 WeakPolarHBondContact O-CB 2.87Å; I157-L160 PolarHBondContact O-N 3.46Å; I157-L160 VanDerWaalsContact O-N 3.13Å; L160-Q162 VanDerWaalsContact C-N 3.33Å; L160-Y163 PolarHBondContact O-N 2.88Å; L160-K164 PolarHBondContact O-N 3.26Å
161	E	47.9	Very low	51.6	Low	111 Å²	111	70.3 Å²	70.3	52%	0.519	37%	0.37	S	S	.	.	H	α-helix	trans	-69.9	-33.2	177.2	-73.3	-64.4	161.9	0	0	111.9	I157 P158 K164 T165	I157-E161 PolarHBondContact O-N 2.89Å; P158-E161 PolarHBondContact O-N 2.74Å; E161-K164 WeakPolarHBondContact O-CB 3.32Å; E161-K164 PolarHBondContact O-N 3.48Å; E161-K164 IonicContact OE1-NZ 3.19Å; E161-K164 WeakPolarHBondContact OE2-CD 3.05Å; E161-K164 IonicContact OE2-NZ 3.31Å; E161-K164 PolarHBondContact OE2-NZ 3.25Å; E161-T165 PolarHBondContact O-N 3.07Å
162	Q	46.6	Very low	52	Low	39 Å²	39	71.2 Å²	71.2	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-70.4	-38.8	173.9	-170.7	60.2	34.3	0	0	112.4	P158 V159 L160 K164 T165 D166 I472	P158-Q162 WeakPolarHBondContact O-CB 3.49Å; P158-Q162 PolarHBondContact O-N 2.83Å; V159-Q162 PolarHBondContact O-N 3.43Å; L160-Q162 VanDerWaalsContact C-N 3.33Å; Q162-K164 PolarHBondContact O-N 2.92Å; Q162-T165 WeakPolarHBondContact CA-OG1 3.3Å; Q162-T165 PolarHBondContact NE2-OG1 3.48Å; Q162-T165 PolarHBondContact O-N 3.43Å; Q162-T165 VanDerWaalsContact O-N 3.14Å; Q162-T165 PolarHBondContact O-OG1 2.95Å; Q162-D166 VanDerWaalsContact O-CG 3.26Å; Q162-D166 PolarHBondContact O-N 3.46Å; Q162-I472 HydrophobicContact CG-CB 3.82Å; Q162-I472 HydrophobicContact CG-CD1 4.26Å; Q162-I472 HydrophobicContact CG-CG1 4.44Å
163	Y	48.6	Very low	52	Low	40 Å²	40	65.3 Å²	65.3	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-32.1	173.8	-165.8	-87.8	0	0	0	112.3	T107 D110 F111 V159 L160 A167	T107-Y163 HydrophobicContact CG2-CE1 4.39Å; T107-Y163 WeakPolarHBondContact CG2-OH 3.38Å; T107-Y163 PolarHBondContact O-OH 3.45Å; D110-Y163 WeakPolarHBondContact CB-OH 3.34Å; F111-Y163 HydrophobicContact CB-CE1 3.83Å; F111-Y163 AromaticContact CD2-CD1 3.93Å; F111-Y163 HydrophobicContact CD2-CD1 3.93Å; F111-Y163 AromaticContact CD2-CE1 3.62Å; F111-Y163 HydrophobicContact CD2-CE1 3.62Å; F111-Y163 HydrophobicContact CG-CE1 4.18Å; F111-Y163 PolarHBondContact N-OH 3.26Å; V159-Y163 WeakPolarHBondContact O-CB 3.48Å; V159-Y163 PolarHBondContact O-N 3.24Å; L160-Y163 PolarHBondContact O-N 2.88Å; Y163-A167 PolarHBondContact O-N 3.3Å
164	K	51.1	Low	52.4	Low	108 Å²	108	68.6 Å²	68.6	47%	0.47	36%	0.356	S	S	.	.	H	α-helix	trans	-72.6	-32.9	176.9	-177.5	-173.9	176.1	-171.8	0	112.8	L160 E161 Q162 K168	L160-K164 PolarHBondContact O-N 3.26Å; E161-K164 WeakPolarHBondContact O-CB 3.32Å; E161-K164 PolarHBondContact O-N 3.48Å; E161-K164 IonicContact OE1-NZ 3.19Å; E161-K164 WeakPolarHBondContact OE2-CD 3.05Å; E161-K164 IonicContact OE2-NZ 3.31Å; E161-K164 PolarHBondContact OE2-NZ 3.25Å; Q162-K164 PolarHBondContact O-N 2.92Å; K164-K168 PolarHBondContact O-N 2.88Å
165	T	52.8	Low	53.3	Low	66 Å²	66	69.7 Å²	69.7	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-71.5	-38.1	172.5	49.1	0	0	0	0	111.1	E161 Q162 A167 K168 L169	E161-T165 PolarHBondContact O-N 3.07Å; Q162-T165 WeakPolarHBondContact CA-OG1 3.3Å; Q162-T165 PolarHBondContact NE2-OG1 3.48Å; Q162-T165 PolarHBondContact O-N 3.43Å; Q162-T165 VanDerWaalsContact O-N 3.14Å; Q162-T165 PolarHBondContact O-OG1 2.95Å; T165-A167 PolarHBondContact O-N 3.5Å; T165-K168 WeakPolarHBondContact O-CB 3.23Å; T165-K168 PolarHBondContact O-N 2.76Å; T165-K168 VanDerWaalsContact O-N 3.13Å; T165-L169 PolarHBondContact O-N 3.47Å; T165-L169 VanDerWaalsContact O-N 3.07Å
166	D	48.2	Very low	53.6	Low	27 Å²	27	69.1 Å²	69.1	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-40	175.9	-61.2	-24.7	0	0	0	112.6	Q162 K168 L169 I170 L217 I472	Q162-D166 VanDerWaalsContact O-CG 3.26Å; Q162-D166 PolarHBondContact O-N 3.46Å; D166-K168 PolarHBondContact O-N 3.42Å; D166-L169 WeakPolarHBondContact O-CB 3.41Å; D166-L169 PolarHBondContact O-N 3.49Å; D166-L169 VanDerWaalsContact O-N 3.11Å; D166-I170 WeakPolarHBondContact O-CG1 3.33Å; D166-I170 PolarHBondContact O-N 3.44Å; D166-L217 HydrophobicContact CB-CD2 4.13Å; D166-I472 VanDerWaalsContact CG-CD1 3.42Å; D166-I472 WeakPolarHBondContact OD1-CD1 3.34Å; D166-I472 WeakPolarHBondContact OD2-CD1 3.24Å
167	A	54.7	Low	54.1	Low	32 Å²	32	67.1 Å²	67.1	26%	0.264	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-34.1	174.2	0	0	0	0	0	112.4	Y163 T165 T171	Y163-A167 PolarHBondContact O-N 3.3Å; T165-A167 PolarHBondContact O-N 3.5Å; A167-T171 PolarHBondContact O-N 2.76Å; A167-T171 VanDerWaalsContact O-N 3.13Å; A167-T171 PolarHBondContact O-OG1 2.92Å
168	K	59.2	Low	55	Low	131 Å²	131	70.8 Å²	70.8	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-68.5	-41.6	173.1	-70.3	177.3	177.3	-178	0	111.5	K164 T165 D166 I170 T171 Q172	K164-K168 PolarHBondContact O-N 2.88Å; T165-K168 WeakPolarHBondContact O-CB 3.23Å; T165-K168 PolarHBondContact O-N 2.76Å; T165-K168 VanDerWaalsContact O-N 3.13Å; D166-K168 PolarHBondContact O-N 3.42Å; K168-I170 VanDerWaalsContact C-N 3.34Å; K168-I170 PolarHBondContact O-N 3.42Å; K168-T171 WeakPolarHBondContact O-CB 3.25Å; K168-T171 PolarHBondContact O-N 2.92Å; K168-T171 VanDerWaalsContact O-N 3.14Å; K168-Q172 WeakPolarHBondContact O-CG 3.33Å; K168-Q172 PolarHBondContact O-N 2.99Å
169	L	55.7	Low	56.2	Low	70 Å²	70	70.4 Å²	70.4	37%	0.366	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-45	176.6	-159.6	91.8	0	0	0	111.2	T165 D166 T171 Q172 F173	T165-L169 PolarHBondContact O-N 3.47Å; T165-L169 VanDerWaalsContact O-N 3.07Å; D166-L169 WeakPolarHBondContact O-CB 3.41Å; D166-L169 PolarHBondContact O-N 3.49Å; D166-L169 VanDerWaalsContact O-N 3.11Å; L169-T171 VanDerWaalsContact C-N 3.28Å; L169-T171 PolarHBondContact O-N 2.81Å; L169-Q172 PolarHBondContact O-N 2.74Å; L169-F173 HydrophobicContact CD2-CD2 4.33Å; L169-F173 HydrophobicContact CD2-CE2 3.98Å; L169-F173 HydrophobicContact CG-CD2 4.14Å; L169-F173 HydrophobicContact CG-CE2 4.05Å; L169-F173 WeakPolarHBondContact O-CD2 3.18Å; L169-F173 PolarHBondContact O-N 3.41Å
170	I	55.1	Low	57	Low	10 Å²	10	69.8 Å²	69.8	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-40.6	175.6	-68.8	168	0	0	0	111.1	T107 D166 K168 F173 K174 L217	T107-I170 HydrophobicContact CG2-CD1 3.76Å; D166-I170 WeakPolarHBondContact O-CG1 3.33Å; D166-I170 PolarHBondContact O-N 3.44Å; K168-I170 VanDerWaalsContact C-N 3.34Å; K168-I170 PolarHBondContact O-N 3.42Å; I170-F173 PolarHBondContact O-N 2.88Å; I170-K174 WeakPolarHBondContact O-CB 3.29Å; I170-K174 PolarHBondContact O-N 3.4Å; I170-L217 HydrophobicContact CD1-CD1 4.18Å; I170-L217 HydrophobicContact CD1-CD2 4.01Å; I170-L217 HydrophobicContact CG1-CD1 3.82Å; I170-L217 HydrophobicContact CG1-CD2 4.25Å
171	T	63.4	Low	57.7	Low	77 Å²	77	70.5 Å²	70.5	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-42.4	178.1	-53.2	0	0	0	0	111.3	A167 K168 L169 K174 E175	A167-T171 PolarHBondContact O-N 2.76Å; A167-T171 VanDerWaalsContact O-N 3.13Å; A167-T171 PolarHBondContact O-OG1 2.92Å; K168-T171 WeakPolarHBondContact O-CB 3.25Å; K168-T171 PolarHBondContact O-N 2.92Å; K168-T171 VanDerWaalsContact O-N 3.14Å; L169-T171 VanDerWaalsContact C-N 3.28Å; L169-T171 PolarHBondContact O-N 2.81Å; T171-K174 WeakPolarHBondContact O-CB 3.45Å; T171-K174 PolarHBondContact O-N 2.78Å; T171-E175 PolarHBondContact O-N 3.4Å; T171-E175 VanDerWaalsContact O-N 3.12Å
172	Q	62.8	Low	58.8	Low	111 Å²	111	69 Å²	69	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-45.1	174.9	-72.6	174.3	-23.4	0	0	112	K168 L169 K174 E175 E176	K168-Q172 WeakPolarHBondContact O-CG 3.33Å; K168-Q172 PolarHBondContact O-N 2.99Å; L169-Q172 PolarHBondContact O-N 2.74Å; Q172-K174 VanDerWaalsContact C-N 3.31Å; Q172-K174 PolarHBondContact O-N 3.11Å; Q172-E175 PolarHBondContact O-N 2.96Å; Q172-E175 VanDerWaalsContact O-N 3.16Å; Q172-E176 PolarHBondContact O-N 3.19Å
173	F	53.9	Low	59.6	Low	22 Å²	22	70.5 Å²	70.5	10%	0.096	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-37.4	175.8	-89.3	-71	0	0	0	112.7	I100 L169 I170 E175 E176 I177 R209 C213	I100-F173 HydrophobicContact CD1-CB 4.09Å; L169-F173 HydrophobicContact CD2-CD2 4.33Å; L169-F173 HydrophobicContact CD2-CE2 3.98Å; L169-F173 HydrophobicContact CG-CD2 4.14Å; L169-F173 HydrophobicContact CG-CE2 4.05Å; L169-F173 WeakPolarHBondContact O-CD2 3.18Å; L169-F173 PolarHBondContact O-N 3.41Å; I170-F173 PolarHBondContact O-N 2.88Å; F173-E175 VanDerWaalsContact C-N 3.29Å; F173-E175 PolarHBondContact O-N 3.14Å; F173-E176 PolarHBondContact O-N 2.96Å; F173-I177 WeakPolarHBondContact O-CG1 3.42Å; F173-I177 PolarHBondContact O-N 3.43Å; F173-R209 HydrophobicContact CE1-CB 4.4Å; F173-C213 HydrophobicContact CE2-CB 3.89Å; F173-C213 WeakPolarHBondContact CE2-SG 3.45Å; F173-C213 HydrophobicContact CZ-CB 3.95Å
174	K	61.7	Low	60	Low	113 Å²	113	68.7 Å²	68.7	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-40.2	174.9	-172.2	178.9	-178.9	177.4	0	111.5	I170 T171 Q172 R178	I170-K174 WeakPolarHBondContact O-CB 3.29Å; I170-K174 PolarHBondContact O-N 3.4Å; T171-K174 WeakPolarHBondContact O-CB 3.45Å; T171-K174 PolarHBondContact O-N 2.78Å; Q172-K174 VanDerWaalsContact C-N 3.31Å; Q172-K174 PolarHBondContact O-N 3.11Å; K174-R178 WeakPolarHBondContact O-CB 3.39Å; K174-R178 PolarHBondContact O-N 3.03Å
175	E	68.6	Low	60.7	Low	115 Å²	115	66.6 Å²	66.6	54%	0.537	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-43.1	175.8	-71.9	-178.5	167.2	0	0	112.4	T171 Q172 F173 I177 R178 N179	T171-E175 PolarHBondContact O-N 3.4Å; T171-E175 VanDerWaalsContact O-N 3.12Å; Q172-E175 PolarHBondContact O-N 2.96Å; Q172-E175 VanDerWaalsContact O-N 3.16Å; F173-E175 VanDerWaalsContact C-N 3.29Å; F173-E175 PolarHBondContact O-N 3.14Å; E175-I177 PolarHBondContact O-N 3.23Å; E175-R178 PolarHBondContact O-N 3.46Å; E175-N179 WeakPolarHBondContact O-CB 3.37Å; E175-N179 VanDerWaalsContact O-CG 3.25Å; E175-N179 PolarHBondContact O-N 2.76Å
176	E	60	Low	60.9	Low	72 Å²	72	64.9 Å²	64.9	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-45	175.9	-75.8	-173.4	-157.8	0	0	111.7	Q172 F173 N179 L180 R209	Q172-E176 PolarHBondContact O-N 3.19Å; F173-E176 PolarHBondContact O-N 2.96Å; E176-N179 PolarHBondContact O-N 2.79Å; E176-L180 WeakPolarHBondContact O-CB 3.35Å; E176-L180 PolarHBondContact O-N 2.62Å; E176-R209 IonicContact OE1-NH2 3.23Å; E176-R209 PolarHBondContact OE1-NH2 3.02Å; E176-R209 IonicContact OE2-CZ 2.96Å; E176-R209 IonicContact OE2-NH1 2.93Å; E176-R209 PolarHBondContact OE2-NH1 3.41Å; E176-R209 IonicContact OE2-NH2 3.31Å; E176-R209 PolarHBondContact OE2-NH2 3.28Å
177	I	58.7	Low	61.3	Low	15 Å²	15	64.8 Å²	64.8	8%	0.077	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-41.1	177.4	-68.6	175.6	0	0	0	111.2	I100 F173 E175 N179 L180 S181	I100-I177 HydrophobicContact CD1-CD1 3.72Å; I100-I177 HydrophobicContact CG2-CD1 4.33Å; F173-I177 WeakPolarHBondContact O-CG1 3.42Å; F173-I177 PolarHBondContact O-N 3.43Å; E175-I177 PolarHBondContact O-N 3.23Å; I177-N179 VanDerWaalsContact C-N 3.33Å; I177-N179 PolarHBondContact O-N 3.15Å; I177-L180 PolarHBondContact O-N 2.87Å; I177-S181 WeakPolarHBondContact O-CB 3.21Å; I177-S181 PolarHBondContact O-N 3.45Å
178	R	69.1	Low	61.2	Low	157 Å²	157	68.2 Å²	68.2	59%	0.592	35%	0.349	S	S	*	.	H	α-helix	trans	-60.7	-45.1	176.2	-168.6	-171.6	74	84.9	4.3	110.9	K174 E175 L180 S181 T182	K174-R178 WeakPolarHBondContact O-CB 3.39Å; K174-R178 PolarHBondContact O-N 3.03Å; E175-R178 PolarHBondContact O-N 3.46Å; R178-L180 VanDerWaalsContact C-N 3.34Å; R178-L180 PolarHBondContact O-N 3.43Å; R178-S181 PolarHBondContact O-N 3.03Å; R178-T182 PolarHBondContact O-N 3.35Å; R178-T182 PolarHBondContact O-OG1 3.31Å
179	N	69.6	Low	61.1	Low	83 Å²	83	69.8 Å²	69.8	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-43	176.8	-70.5	-12.8	0	0	0	111	E175 E176 I177 T182 V183	E175-N179 WeakPolarHBondContact O-CB 3.37Å; E175-N179 VanDerWaalsContact O-CG 3.25Å; E175-N179 PolarHBondContact O-N 2.76Å; E176-N179 PolarHBondContact O-N 2.79Å; I177-N179 VanDerWaalsContact C-N 3.33Å; I177-N179 PolarHBondContact O-N 3.15Å; N179-T182 WeakPolarHBondContact O-CB 3.3Å; N179-T182 PolarHBondContact O-N 3.34Å; N179-V183 WeakPolarHBondContact O-CG2 3.44Å; N179-V183 PolarHBondContact O-N 3.49Å
180	L	61.2	Low	61	Low	28 Å²	28	73.3 Å²	73.3	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-43.1	177.5	-150	88.7	0	0	0	112.6	V93 E176 I177 R178 T182 V183 L184 V203 L206	V93-L180 HydrophobicContact CG2-CD2 4.29Å; E176-L180 WeakPolarHBondContact O-CB 3.35Å; E176-L180 PolarHBondContact O-N 2.62Å; I177-L180 PolarHBondContact O-N 2.87Å; R178-L180 VanDerWaalsContact C-N 3.34Å; R178-L180 PolarHBondContact O-N 3.43Å; L180-T182 PolarHBondContact O-N 3.44Å; L180-V183 PolarHBondContact O-N 2.95Å; L180-L184 HydrophobicContact CD2-CD1 4.05Å; L180-L184 HydrophobicContact CG-CD1 4.22Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 PolarHBondContact O-N 3.22Å; L180-V203 HydrophobicContact CD2-CG2 3.94Å; L180-L206 HydrophobicContact CD1-CD1 3.43Å; L180-L206 VanDerWaalsContact CD1-CD1 3.43Å; L180-L206 HydrophobicContact CD2-CD1 3.76Å; L180-L206 HydrophobicContact CG-CD1 4.14Å
181	S	63.7	Low	60.9	Low	54 Å²	54	79.3 Å²	79.3	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-59.7	-39.1	174.5	-171.3	0	0	0	0	110.9	I177 R178 L184 T185	I177-S181 WeakPolarHBondContact O-CB 3.21Å; I177-S181 PolarHBondContact O-N 3.45Å; R178-S181 PolarHBondContact O-N 3.03Å; S181-L184 PolarHBondContact O-N 2.9Å; S181-T185 WeakPolarHBondContact O-CB 3.23Å; S181-T185 PolarHBondContact O-N 2.83Å; S181-T185 PolarHBondContact O-OG1 3.23Å
182	T	69.4	Low	60.3	Low	80 Å²	80	79.2 Å²	79.2	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-67.1	-42.6	176.4	-42.4	0	0	0	0	111.3	R178 N179 L180 T185 G186	R178-T182 PolarHBondContact O-N 3.35Å; R178-T182 PolarHBondContact O-OG1 3.31Å; N179-T182 WeakPolarHBondContact O-CB 3.3Å; N179-T182 PolarHBondContact O-N 3.34Å; L180-T182 PolarHBondContact O-N 3.44Å; T182-T185 PolarHBondContact O-N 3.49Å; T182-G186 PolarHBondContact O-N 2.81Å
183	V	65.1	Low	59.7	Low	70 Å²	70	78.1 Å²	78.1	42%	0.424	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.8	171	0	0	0	0	111.6	N179 L180 T185 G186 I187	N179-V183 WeakPolarHBondContact O-CG2 3.44Å; N179-V183 PolarHBondContact O-N 3.49Å; L180-V183 PolarHBondContact O-N 2.95Å; V183-T185 VanDerWaalsContact C-N 3.34Å; V183-T185 PolarHBondContact O-N 2.8Å; V183-G186 PolarHBondContact O-N 3.21Å; V183-I187 HydrophobicContact CG1-CD1 3.8Å; V183-I187 HydrophobicContact CG1-CG1 4.47Å; V183-I187 VanDerWaalsContact O-CG1 3.27Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 2.91Å
184	L	56.9	Low	59.6	Low	1 Å²	1	84.6 Å²	84.6	1%	0.005	45%	0.453	C	S	.	.	H	α-helix	trans	-62.5	-40.7	176.2	-98.9	138	0	0	0	112	L86 L90 V93 L180 S181 I187 Q188	L86-L184 HydrophobicContact CD1-CD2 3.81Å; L90-L184 HydrophobicContact CD2-CB 4.33Å; L90-L184 HydrophobicContact CD2-CD2 3.96Å; L90-L184 HydrophobicContact CG-CD2 4.19Å; V93-L184 HydrophobicContact CG2-CD1 3.88Å; L180-L184 HydrophobicContact CD2-CD1 4.05Å; L180-L184 HydrophobicContact CG-CD1 4.22Å; L180-L184 WeakPolarHBondContact O-CB 3.35Å; L180-L184 PolarHBondContact O-N 3.22Å; S181-L184 PolarHBondContact O-N 2.9Å; L184-I187 PolarHBondContact O-N 3.32Å; L184-Q188 WeakPolarHBondContact O-CB 3.4Å; L184-Q188 PolarHBondContact O-N 2.89Å
185	T	64.5	Low	59.5	Low	65 Å²	65	84.3 Å²	84.3	40%	0.399	46%	0.456	S	S	.	.	H	α-helix	trans	-65.8	-42.3	175.5	-49.5	0	0	0	0	110.7	S181 T182 V183 I187 Q188 E189	S181-T185 WeakPolarHBondContact O-CB 3.23Å; S181-T185 PolarHBondContact O-N 2.83Å; S181-T185 PolarHBondContact O-OG1 3.23Å; T182-T185 PolarHBondContact O-N 3.49Å; V183-T185 VanDerWaalsContact C-N 3.34Å; V183-T185 PolarHBondContact O-N 2.8Å; T185-I187 PolarHBondContact O-N 2.92Å; T185-Q188 WeakPolarHBondContact O-CB 3.38Å; T185-Q188 PolarHBondContact O-N 3.44Å; T185-E189 PolarHBondContact O-N 2.83Å; T185-E189 VanDerWaalsContact O-N 3.15Å
186	G	58.4	Low	59	Low	30 Å²	30	81.2 Å²	81.2	31%	0.309	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-38.5	174.8	0	0	0	0	0	113.6	T182 V183 Q188 E189 E190	T182-G186 PolarHBondContact O-N 2.81Å; V183-G186 PolarHBondContact O-N 3.21Å; G186-Q188 VanDerWaalsContact C-N 3.31Å; G186-Q188 PolarHBondContact O-N 3.36Å; G186-E189 PolarHBondContact O-N 3.08Å; G186-E190 PolarHBondContact O-N 3.34Å
187	I	55.9	Low	58.8	Low	25 Å²	25	82.8 Å²	82.8	13%	0.128	45%	0.447	C	S	.	.	H	α-helix	trans	-69	-30	174.5	-68.9	168.7	0	0	0	111.7	V183 L184 T185 E189 E190 Y194 L199	V183-I187 HydrophobicContact CG1-CD1 3.8Å; V183-I187 HydrophobicContact CG1-CG1 4.47Å; V183-I187 VanDerWaalsContact O-CG1 3.27Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 2.91Å; L184-I187 PolarHBondContact O-N 3.32Å; T185-I187 PolarHBondContact O-N 2.92Å; I187-E189 VanDerWaalsContact C-N 3.28Å; I187-E190 CarbonylContact O-C 3.57Å; I187-Y194 HydrophobicContact CD1-CD2 4.15Å; I187-Y194 HydrophobicContact CD1-CG 4.02Å; I187-Y194 HydrophobicContact CG1-CD2 3.84Å; I187-Y194 HydrophobicContact CG1-CG 4.2Å; I187-L199 HydrophobicContact CD1-CD1 3.99Å; I187-L199 HydrophobicContact CD1-CD2 3.88Å
188	Q	52.9	Low	58.7	Low	104 Å²	104	86.5 Å²	86.5	49%	0.486	46%	0.464	S	S	.	.	H	α-helix	trans	-70	-28.2	174.3	-171.1	169.9	-20.1	0	0	112	L86 L90 L184 T185 G186	L86-Q188 HydrophobicContact CD2-CB 4.47Å; L90-Q188 VanDerWaalsContact CD1-OE1 3.3Å; L184-Q188 WeakPolarHBondContact O-CB 3.4Å; L184-Q188 PolarHBondContact O-N 2.89Å; T185-Q188 WeakPolarHBondContact O-CB 3.38Å; T185-Q188 PolarHBondContact O-N 3.44Å; G186-Q188 VanDerWaalsContact C-N 3.31Å; G186-Q188 PolarHBondContact O-N 3.36Å
189	E	56.4	Low	58.2	Low	163 Å²	163	79.7 Å²	79.7	76%	0.762	44%	0.44	S	S	*	.	H	α-helix	trans	-85.3	-33.4	174.5	-68.8	178.2	171.4	0	0	112.5	T185 G186 I187	T185-E189 PolarHBondContact O-N 2.83Å; T185-E189 VanDerWaalsContact O-N 3.15Å; G186-E189 PolarHBondContact O-N 3.08Å; I187-E189 VanDerWaalsContact C-N 3.28Å
190	E	54.8	Low	57.6	Low	145 Å²	145	78.6 Å²	78.6	68%	0.678	43%	0.432	S	S	*	.			trans	-111.1	77.4	175.9	-70.7	-172.2	163.8	0	0	112	G186 I187 G192	G186-E190 PolarHBondContact O-N 3.34Å; I187-E190 CarbonylContact O-C 3.57Å; E190-G192 VanDerWaalsContact C-N 3.3Å; E190-G192 PolarHBondContact O-N 3.29Å
191	I	51.6	Low	57.4	Low	135 Å²	135	82.3 Å²	82.3	69%	0.692	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	89.3	169.3	-55.9	176.9	0	0	0	108.1
192	G	51.6	Low	57.2	Low	76 Å²	76	86.4 Å²	86.4	78%	0.784	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.2	-29.4	177.3	0	0	0	0	0	119.2	E190	E190-G192 VanDerWaalsContact C-N 3.3Å; E190-G192 PolarHBondContact O-N 3.29Å
193	A	49.2	Very low	56.4	Low	87 Å²	87	82.8 Å²	82.8	72%	0.719	43%	0.433	S	S	*	.	S	Bend	trans	-141.9	6.3	-159.2	0	0	0	0	0	118.5
194	Y	53.2	Low	55.9	Low	159 Å²	159	82.3 Å²	82.3	62%	0.624	43%	0.428	S	S	*	.			trans	-106.1	134.6	176.4	-85.7	-81.7	0	0	0	113	I187 Y196	I187-Y194 HydrophobicContact CD1-CD2 4.15Å; I187-Y194 HydrophobicContact CD1-CG 4.02Å; I187-Y194 HydrophobicContact CG1-CD2 3.84Å; I187-Y194 HydrophobicContact CG1-CG 4.2Å; Y194-Y196 PolarHBondContact O-N 3.11Å
195	D	59.4	Low	55.9	Low	106 Å²	106	85.2 Å²	85.2	57%	0.567	45%	0.448	S	S	*	.			trans	-66.3	100.5	173.6	-166.6	-5.6	0	0	0	109	E197 E198 L199	D195-E197 PolarHBondContact O-N 3.38Å; D195-E197 VanDerWaalsContact O-N 3.14Å; D195-E197 PolarHBondContact OD1-N 2.94Å; D195-E198 HydrophobicContact CB-CB 4.25Å; D195-E198 WeakPolarHBondContact O-CB 3.37Å; D195-E198 PolarHBondContact O-N 3.43Å; D195-L199 PolarHBondContact O-N 3.25Å
196	Y	57.9	Low	55.3	Low	50 Å²	50	82.8 Å²	82.8	20%	0.196	43%	0.433	C	S	.	.	H	α-helix	trans	-54.9	-30.4	-177.4	173.4	-89.9	0	0	0	111.9	Q85 L89 Y194 L199 H200	Q85-Y196 HydrophobicContact CB-CE2 4.21Å; Q85-Y196 WeakPolarHBondContact CB-OH 3.46Å; Q85-Y196 PolarHBondContact OE1-OH 3.15Å; L89-Y196 HydrophobicContact CD1-CE2 3.88Å; Y194-Y196 PolarHBondContact O-N 3.11Å; Y196-L199 PolarHBondContact O-N 3.47Å; Y196-H200 WeakPolarHBondContact O-CB 3.47Å; Y196-H200 PolarHBondContact O-N 3.44Å
197	E	54.6	Low	54.8	Low	106 Å²	106	82.6 Å²	82.6	50%	0.495	42%	0.424	S	S	.	.	H	α-helix	trans	-67.8	-42	177.9	-159.6	61.9	-148.8	0	0	111.2	D195 L199 H200 Q201	D195-E197 PolarHBondContact O-N 3.38Å; D195-E197 VanDerWaalsContact O-N 3.14Å; D195-E197 PolarHBondContact OD1-N 2.94Å; E197-L199 PolarHBondContact O-N 3.12Å; E197-H200 PolarHBondContact O-N 3.47Å; E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.27Å; E197-Q201 PolarHBondContact O-N 3.17Å
198	E	58.4	Low	54.5	Low	92 Å²	92	84.3 Å²	84.3	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-64.9	-40.7	176	-164.4	-170.7	162.7	0	0	111.5	D195 Q201 R202	D195-E198 HydrophobicContact CB-CB 4.25Å; D195-E198 WeakPolarHBondContact O-CB 3.37Å; D195-E198 PolarHBondContact O-N 3.43Å; E198-Q201 PolarHBondContact O-N 3.22Å; E198-R202 WeakPolarHBondContact O-CB 3.38Å; E198-R202 VanDerWaalsContact O-CG 3.3Å; E198-R202 WeakPolarHBondContact O-CG 3.3Å; E198-R202 PolarHBondContact O-N 3.4Å; E198-R202 IonicContact OE1-CZ 3.01Å; E198-R202 VanDerWaalsContact OE1-CZ 3.31Å; E198-R202 IonicContact OE1-NE 3.99Å; E198-R202 PolarHBondContact OE1-NE 2.93Å; E198-R202 IonicContact OE1-NH2 2.68Å; E198-R202 PolarHBondContact OE1-NH2 3.33Å
199	L	57.9	Low	54.5	Low	15 Å²	15	84.3 Å²	84.3	8%	0.079	43%	0.431	C	S	.	.	H	α-helix	trans	-65.3	-42	176.1	-170.3	73.7	0	0	0	111.5	I187 D195 Y196 E197 R202 V203	I187-L199 HydrophobicContact CD1-CD1 3.99Å; I187-L199 HydrophobicContact CD1-CD2 3.88Å; D195-L199 PolarHBondContact O-N 3.25Å; Y196-L199 PolarHBondContact O-N 3.47Å; E197-L199 PolarHBondContact O-N 3.12Å; L199-R202 PolarHBondContact O-N 3Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.32Å
200	H	55.9	Low	54.2	Low	59 Å²	59	77.3 Å²	77.3	27%	0.273	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.9	-170.9	71.5	0	0	0	111.6	Y196 E197 V203 L204	Y196-H200 WeakPolarHBondContact O-CB 3.47Å; Y196-H200 PolarHBondContact O-N 3.44Å; E197-H200 PolarHBondContact O-N 3.47Å; H200-V203 PolarHBondContact O-N 3.42Å; H200-L204 VanDerWaalsContact CD2-CD1 3.48Å; H200-L204 WeakPolarHBondContact CD2-CD1 3.15Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.48Å; H200-L204 WeakPolarHBondContact O-CB 3.44Å; H200-L204 PolarHBondContact O-N 2.72Å
201	Q	57.3	Low	54.1	Low	106 Å²	106	76.5 Å²	76.5	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175	-69.4	-59.9	-34.3	0	0	112.2	E197 E198 L204 S205	E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.27Å; E197-Q201 PolarHBondContact O-N 3.17Å; E198-Q201 PolarHBondContact O-N 3.22Å; Q201-L204 PolarHBondContact O-N 3.43Å; Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.24Å; Q201-S205 PolarHBondContact O-N 2.93Å
202	R	59.5	Low	54.1	Low	141 Å²	141	73.6 Å²	73.6	53%	0.532	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-41.9	174.4	-75.4	176.3	-176.2	-149.6	3.9	112.1	E198 L199 S205 L206	E198-R202 WeakPolarHBondContact O-CB 3.38Å; E198-R202 VanDerWaalsContact O-CG 3.3Å; E198-R202 WeakPolarHBondContact O-CG 3.3Å; E198-R202 PolarHBondContact O-N 3.4Å; E198-R202 IonicContact OE1-CZ 3.01Å; E198-R202 VanDerWaalsContact OE1-CZ 3.31Å; E198-R202 IonicContact OE1-NE 3.99Å; E198-R202 PolarHBondContact OE1-NE 2.93Å; E198-R202 IonicContact OE1-NH2 2.68Å; E198-R202 PolarHBondContact OE1-NH2 3.33Å; L199-R202 PolarHBondContact O-N 3Å; R202-S205 PolarHBondContact O-N 2.78Å; R202-L206 WeakPolarHBondContact O-CB 3.49Å; R202-L206 PolarHBondContact O-N 3.12Å
203	V	54.3	Low	54	Low	3 Å²	3	70.6 Å²	70.6	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-68.1	-43.3	176.6	174.7	0	0	0	0	111.6	L89 L180 L199 H200 S205 L206 E207	L89-V203 HydrophobicContact CD2-CB 3.61Å; L89-V203 HydrophobicContact CD2-CG1 3.56Å; L89-V203 HydrophobicContact CD2-CG2 3.68Å; L180-V203 HydrophobicContact CD2-CG2 3.94Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.32Å; H200-V203 PolarHBondContact O-N 3.42Å; V203-S205 VanDerWaalsContact C-N 3.34Å; V203-S205 PolarHBondContact O-N 3.44Å; V203-L206 PolarHBondContact O-N 3.1Å; V203-E207 HydrophobicContact CG1-CG 4.33Å; V203-E207 WeakPolarHBondContact O-CB 3.29Å; V203-E207 WeakPolarHBondContact O-CG 3.49Å; V203-E207 PolarHBondContact O-N 2.82Å
204	L	54.4	Low	54.1	Low	60 Å²	60	68.9 Å²	68.9	31%	0.314	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-42.3	174.6	-81.9	166.6	0	0	0	112.3	H200 Q201 E207 T208	H200-L204 VanDerWaalsContact CD2-CD1 3.48Å; H200-L204 WeakPolarHBondContact CD2-CD1 3.15Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.48Å; H200-L204 WeakPolarHBondContact O-CB 3.44Å; H200-L204 PolarHBondContact O-N 2.72Å; Q201-L204 PolarHBondContact O-N 3.43Å; L204-E207 PolarHBondContact O-N 2.81Å; L204-T208 WeakPolarHBondContact O-CB 3.41Å; L204-T208 PolarHBondContact O-N 3Å; L204-T208 PolarHBondContact O-OG1 3.23Å
205	S	55.8	Low	54.1	Low	62 Å²	62	64.6 Å²	64.6	43%	0.434	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-44.7	174.8	-177.9	0	0	0	0	111.5	Q201 R202 V203 T208 R209	Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.24Å; Q201-S205 PolarHBondContact O-N 2.93Å; R202-S205 PolarHBondContact O-N 2.78Å; V203-S205 VanDerWaalsContact C-N 3.34Å; V203-S205 PolarHBondContact O-N 3.44Å; S205-T208 PolarHBondContact O-N 3.29Å; S205-R209 WeakPolarHBondContact O-CB 3.48Å; S205-R209 WeakPolarHBondContact O-CG 3.36Å; S205-R209 PolarHBondContact O-N 2.02Å
206	L	51.4	Low	53.7	Low	15 Å²	15	66.9 Å²	66.9	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-39	176.4	-86	158.7	0	0	0	113.1	L180 R202 V203 T208 R209 L210	L180-L206 HydrophobicContact CD1-CD1 3.43Å; L180-L206 VanDerWaalsContact CD1-CD1 3.43Å; L180-L206 HydrophobicContact CD2-CD1 3.76Å; L180-L206 HydrophobicContact CG-CD1 4.14Å; R202-L206 WeakPolarHBondContact O-CB 3.49Å; R202-L206 PolarHBondContact O-N 3.12Å; V203-L206 PolarHBondContact O-N 3.1Å; L206-T208 VanDerWaalsContact C-N 3.28Å; L206-T208 PolarHBondContact O-N 2.76Å; L206-R209 PolarHBondContact O-N 3.32Å; L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 2.96Å
207	E	48.7	Very low	53.4	Low	25 Å²	25	65.8 Å²	65.8	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-41.1	172.2	-82.4	-175.5	171.9	0	0	110.9	K92 M96 V203 L204 R211	K92-E207 WeakPolarHBondContact CD-OE1 3.08Å; K92-E207 WeakPolarHBondContact CE-OE1 3.48Å; K92-E207 WeakPolarHBondContact CG-OE1 3.36Å; K92-E207 VanDerWaalsContact NZ-CD 3.29Å; K92-E207 IonicContact NZ-OE1 3.88Å; K92-E207 PolarHBondContact NZ-OE1 3.46Å; K92-E207 IonicContact NZ-OE2 3.28Å; K92-E207 PolarHBondContact NZ-OE2 2.85Å; M96-E207 HydrophobicContact CE-CG 4.23Å; M96-E207 HydrophobicContact SD-CG 3.59Å; M96-E207 VanDerWaalsContact SD-CG 3.59Å; V203-E207 HydrophobicContact CG1-CG 4.33Å; V203-E207 WeakPolarHBondContact O-CB 3.29Å; V203-E207 WeakPolarHBondContact O-CG 3.49Å; V203-E207 PolarHBondContact O-N 2.82Å; L204-E207 PolarHBondContact O-N 2.81Å; E207-R211 WeakPolarHBondContact O-CB 3.34Å; E207-R211 PolarHBondContact O-N 3.1Å
208	T	50.1	Low	53.5	Low	61 Å²	61	61.9 Å²	61.9	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-70.3	-48.1	179.6	-54.6	0	0	0	0	110.6	L204 S205 L206 L210 R211 D212	L204-T208 WeakPolarHBondContact O-CB 3.41Å; L204-T208 PolarHBondContact O-N 3Å; L204-T208 PolarHBondContact O-OG1 3.23Å; S205-T208 PolarHBondContact O-N 3.29Å; L206-T208 VanDerWaalsContact C-N 3.28Å; L206-T208 PolarHBondContact O-N 2.76Å; T208-L210 PolarHBondContact O-N 2.93Å; T208-R211 PolarHBondContact O-N 3.3Å; T208-D212 WeakPolarHBondContact O-CB 3.36Å; T208-D212 VanDerWaalsContact O-CG 3.27Å; T208-D212 PolarHBondContact O-N 2.75Å
209	R	51.8	Low	54.1	Low	105 Å²	105	58.8 Å²	58.8	40%	0.396	28%	0.279	S	S	.	.	H	α-helix	trans	-61	-40.5	174.8	-74	172.3	62.2	-147.5	-6.7	112.4	F173 E176 S205 L206 D212 C213	F173-R209 HydrophobicContact CE1-CB 4.4Å; E176-R209 IonicContact OE1-NH2 3.23Å; E176-R209 PolarHBondContact OE1-NH2 3.02Å; E176-R209 IonicContact OE2-CZ 2.96Å; E176-R209 IonicContact OE2-NH1 2.93Å; E176-R209 PolarHBondContact OE2-NH1 3.41Å; E176-R209 IonicContact OE2-NH2 3.31Å; E176-R209 PolarHBondContact OE2-NH2 3.28Å; S205-R209 WeakPolarHBondContact O-CB 3.48Å; S205-R209 WeakPolarHBondContact O-CG 3.36Å; S205-R209 PolarHBondContact O-N 2.02Å; L206-R209 PolarHBondContact O-N 3.32Å; R209-D212 PolarHBondContact O-N 2.99Å; R209-C213 WeakPolarHBondContact O-CB 3.2Å; R209-C213 PolarHBondContact O-N 3.44Å
210	L	51	Low	54.9	Low	15 Å²	15	58.6 Å²	58.6	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-43.1	175.4	-177.3	67.1	0	0	0	110.3	M96 L206 T208 D212 C213 M214	M96-L210 HydrophobicContact CB-CD2 3.8Å; M96-L210 HydrophobicContact CE-CB 3.97Å; M96-L210 HydrophobicContact CE-CD2 3.36Å; M96-L210 HydrophobicContact CE-CG 4.28Å; M96-L210 HydrophobicContact CG-CD2 3.71Å; M96-L210 HydrophobicContact SD-CD2 4.32Å; L206-L210 WeakPolarHBondContact O-CB 3.49Å; L206-L210 PolarHBondContact O-N 2.96Å; T208-L210 PolarHBondContact O-N 2.93Å; L210-D212 VanDerWaalsContact C-N 3.32Å; L210-D212 PolarHBondContact O-N 3.14Å; L210-C213 PolarHBondContact O-N 2.98Å; L210-M214 HydrophobicContact CD1-CG 4.19Å; L210-M214 HydrophobicContact CG-CG 4.16Å; L210-M214 VanDerWaalsContact O-CB 3.23Å; L210-M214 WeakPolarHBondContact O-CB 3.26Å; L210-M214 WeakPolarHBondContact O-CG 3.26Å; L210-M214 PolarHBondContact O-N 2.88Å
211	R	51.8	Low	56.1	Low	129 Å²	129	59.2 Å²	59.2	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-42	176	-168.4	-175.4	-58.1	134.4	4.5	111.4	E207 T208 K215	E207-R211 WeakPolarHBondContact O-CB 3.34Å; E207-R211 PolarHBondContact O-N 3.1Å; T208-R211 PolarHBondContact O-N 3.3Å; R211-K215 WeakPolarHBondContact O-CB 3.3Å; R211-K215 WeakPolarHBondContact O-CG 2.88Å; R211-K215 PolarHBondContact O-N 2.84Å
212	D	51.3	Low	57.6	Low	74 Å²	74	54.3 Å²	54.3	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-71.9	-36.6	177.8	-67.6	-20.2	0	0	0	112.3	T208 R209 L210 K215 K216	T208-D212 WeakPolarHBondContact O-CB 3.36Å; T208-D212 VanDerWaalsContact O-CG 3.27Å; T208-D212 PolarHBondContact O-N 2.75Å; R209-D212 PolarHBondContact O-N 2.99Å; L210-D212 VanDerWaalsContact C-N 3.32Å; L210-D212 PolarHBondContact O-N 3.14Å; D212-K215 PolarHBondContact O-N 2.89Å; D212-K216 WeakPolarHBondContact O-CB 3.4Å; D212-K216 WeakPolarHBondContact O-CG 3.44Å; D212-K216 PolarHBondContact O-N 3.22Å
213	C	50.7	Low	58.7	Low	12 Å²	12	52.4 Å²	52.4	8%	0.081	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-46.6	172.3	-176.6	0	0	0	0	111.2	F173 R209 L210 K216 L217	F173-C213 HydrophobicContact CE2-CB 3.89Å; F173-C213 WeakPolarHBondContact CE2-SG 3.45Å; F173-C213 HydrophobicContact CZ-CB 3.95Å; R209-C213 WeakPolarHBondContact O-CB 3.2Å; R209-C213 PolarHBondContact O-N 3.44Å; L210-C213 PolarHBondContact O-N 2.98Å; C213-K216 PolarHBondContact O-N 3.14Å; C213-K216 VanDerWaalsContact O-N 3.16Å; C213-L217 WeakPolarHBondContact O-CB 3.45Å; C213-L217 WeakPolarHBondContact O-CG 3.12Å; C213-L217 PolarHBondContact O-N 3.02Å; C213-L217 WeakPolarHBondContact SG-CD1 3.44Å
214	M	51.2	Low	60	Low	51 Å²	51	58 Å²	58	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-49	174.1	-73.2	-68.7	-70	0	0	110.2	L103 L210 K216 L217 T218	L103-M214 HydrophobicContact CB-SD 4.42Å; L103-M214 HydrophobicContact CD1-CE 4.13Å; L103-M214 HydrophobicContact CD1-SD 4.03Å; L103-M214 HydrophobicContact CD2-SD 3.49Å; L103-M214 WeakPolarHBondContact CD2-SD 3.41Å; L103-M214 HydrophobicContact CG-SD 4.18Å; L210-M214 HydrophobicContact CD1-CG 4.19Å; L210-M214 HydrophobicContact CG-CG 4.16Å; L210-M214 VanDerWaalsContact O-CB 3.23Å; L210-M214 WeakPolarHBondContact O-CB 3.26Å; L210-M214 WeakPolarHBondContact O-CG 3.26Å; L210-M214 PolarHBondContact O-N 2.88Å; M214-K216 VanDerWaalsContact C-N 3.29Å; M214-K216 PolarHBondContact O-N 3.04Å; M214-L217 PolarHBondContact O-N 3.35Å; M214-T218 WeakPolarHBondContact O-CB 3.46Å; M214-T218 VanDerWaalsContact O-CG2 3.26Å; M214-T218 WeakPolarHBondContact O-CG2 3.24Å; M214-T218 PolarHBondContact O-N 2.8Å; M214-T218 PolarHBondContact O-OG1 3.36Å
215	K	52.3	Low	61.7	Low	69 Å²	69	55.7 Å²	55.7	30%	0.3	27%	0.269	S	S	.	.	H	α-helix	trans	-55.1	-42.3	174.1	-77.2	170.5	177.6	-176.7	0	112.4	R211 D212 C219 E353	R211-K215 WeakPolarHBondContact O-CB 3.3Å; R211-K215 WeakPolarHBondContact O-CG 2.88Å; R211-K215 PolarHBondContact O-N 2.84Å; D212-K215 PolarHBondContact O-N 2.89Å; K215-C219 VanDerWaalsContact O-CB 3.23Å; K215-C219 WeakPolarHBondContact O-CB 3.1Å; K215-C219 PolarHBondContact O-N 2.91Å; K215-E353 VanDerWaalsContact CE-O 3.31Å; K215-E353 WeakPolarHBondContact CE-O 3.48Å
216	K	51.3	Low	63.1	Low	155 Å²	155	55.7 Å²	55.7	67%	0.674	27%	0.267	S	S	*	.	H	α-helix	trans	-69.2	-41	177.2	-76.1	-179.9	179	-174.1	0	112.7	D212 C213 M214	D212-K216 WeakPolarHBondContact O-CB 3.4Å; D212-K216 WeakPolarHBondContact O-CG 3.44Å; D212-K216 PolarHBondContact O-N 3.22Å; C213-K216 PolarHBondContact O-N 3.14Å; C213-K216 VanDerWaalsContact O-N 3.16Å; M214-K216 VanDerWaalsContact C-N 3.29Å; M214-K216 PolarHBondContact O-N 3.04Å
217	L	51.5	Low	64.8	Low	26 Å²	26	56.6 Å²	56.6	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-76.8	-24	-178.9	-75	164	0	0	0	113.1	L103 D166 I170 C213 M214 H470	L103-L217 HydrophobicContact CD2-CD1 3.96Å; D166-L217 HydrophobicContact CB-CD2 4.13Å; I170-L217 HydrophobicContact CD1-CD1 4.18Å; I170-L217 HydrophobicContact CD1-CD2 4.01Å; I170-L217 HydrophobicContact CG1-CD1 3.82Å; I170-L217 HydrophobicContact CG1-CD2 4.25Å; C213-L217 WeakPolarHBondContact O-CB 3.45Å; C213-L217 WeakPolarHBondContact O-CG 3.12Å; C213-L217 PolarHBondContact O-N 3.02Å; C213-L217 WeakPolarHBondContact SG-CD1 3.44Å; M214-L217 PolarHBondContact O-N 3.35Å; L217-H470 PolarHBondContact O-CE1 3.01Å
218	T	58	Low	67	Low	24 Å²	24	56.4 Å²	56.4	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-92.5	-12.6	-179.8	60.9	0	0	0	0	113.9	M214 R451	M214-T218 WeakPolarHBondContact O-CB 3.46Å; M214-T218 VanDerWaalsContact O-CG2 3.26Å; M214-T218 WeakPolarHBondContact O-CG2 3.24Å; M214-T218 PolarHBondContact O-N 2.8Å; M214-T218 PolarHBondContact O-OG1 3.36Å; T218-R451 VanDerWaalsContact CA-NH2 3.27Å; T218-R451 VanDerWaalsContact CB-NH2 3.28Å; T218-R451 VanDerWaalsContact CG2-NH2 3.35Å; T218-R451 PolarHBondContact O-NH2 3.26Å
219	C	70.9	Confident	69.1	Low	28 Å²	28	57.6 Å²	57.6	19%	0.189	28%	0.284	C	S	.	.			trans	-98.2	133.8	-172.4	-95.3	0	0	0	0	116.2	K215 C401 H470	K215-C219 VanDerWaalsContact O-CB 3.23Å; K215-C219 WeakPolarHBondContact O-CB 3.1Å; K215-C219 PolarHBondContact O-N 2.91Å; C219-C401 WeakPolarHBondContact CA-SG 3.41Å; C219-C401 HydrophobicContact CB-CB 3.62Å; C219-C401 WeakPolarHBondContact CB-SG 3.36Å; C219-C401 WeakPolarHBondContact SG-CA 3.36Å; C219-C401 WeakPolarHBondContact SG-CB 3.35Å; C219-C401 CovalentContact SG-SG 2.02Å; C219-C401 PolarHBondContact SG-SG 3.48Å; C219-H470 PolarHBondContact O-CE1 2.85Å; C219-H470 PolarHBondContact O-ND1 2.93Å
220	G	73.6	Confident	71.2	Confident	10 Å²	10	54.9 Å²	54.9	10%	0.103	28%	0.279	C	S	.	.			trans	-158.2	166.6	177.3	0	0	0	0	0	113.3	F469	G220-F469 CarbonylContact C-O 3.48Å; G220-F469 WeakPolarHBondContact CA-O 3.47Å
221	K	81.3	Confident	73.4	Confident	73 Å²	73	55.4 Å²	55.4	32%	0.317	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.9	175	-175	177	-179.8	172.1	0	109.8	M223 E428 L468 F469	K221-M223 PolarHBondContact O-N 3.23Å; K221-E428 WeakPolarHBondContact CE-OE1 3.4Å; K221-E428 IonicContact NZ-OE1 2.65Å; K221-E428 PolarHBondContact NZ-OE1 3.36Å; K221-E428 IonicContact NZ-OE2 2.75Å; K221-E428 PolarHBondContact NZ-OE2 2.91Å; K221-L468 CarbonylContact O-C 3.45Å; K221-L468 WeakPolarHBondContact O-CA 3.49Å; K221-F469 PolarHBondContact N-O 2.76Å; K221-F469 PolarHBondContact O-N 3.34Å
222	L	87.9	Confident	75.5	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	127.3	174.2	-178.1	67.1	0	0	0	110.9	I225 F398 I400 Y405 V416 I432 V466 L468	L222-I225 HydrophobicContact CD1-CG1 4.17Å; L222-I225 HydrophobicContact CD2-CD1 4.15Å; L222-I225 HydrophobicContact CD2-CG1 4.19Å; L222-F398 HydrophobicContact CD2-CE2 3.93Å; L222-F398 HydrophobicContact CD2-CZ 3.81Å; L222-I400 HydrophobicContact CD1-CD1 4.3Å; L222-Y405 HydrophobicContact CB-CD1 4.24Å; L222-Y405 HydrophobicContact CB-CD2 4.48Å; L222-Y405 HydrophobicContact CB-CE1 3.67Å; L222-Y405 HydrophobicContact CB-CE2 3.94Å; L222-Y405 VanDerWaalsContact CB-CZ 3.49Å; L222-Y405 HydrophobicContact CD2-CD1 4.09Å; L222-Y405 HydrophobicContact CD2-CE1 4.34Å; L222-Y405 HydrophobicContact CD2-CG 4.2Å; L222-Y405 PolarHBondContact N-OH 3.14Å; L222-V416 HydrophobicContact CD2-CG2 4.22Å; L222-I432 HydrophobicContact CB-CD1 4.27Å; L222-I432 HydrophobicContact CD2-CD1 4.01Å; L222-I432 HydrophobicContact CG-CD1 3.87Å; L222-I432 VanDerWaalsContact O-CD1 3.25Å; L222-I432 WeakPolarHBondContact O-CD1 3.5Å; L222-V466 HydrophobicContact CD1-CB 3.71Å; L222-V466 HydrophobicContact CD1-CG1 3.9Å; L222-L468 HydrophobicContact CB-CD2 4.32Å; L222-L468 HydrophobicContact CD1-CD2 4.05Å
223	M	82.5	Confident	77.7	Confident	101 Å²	101	52.8 Å²	52.8	50%	0.498	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-39.8	176	-66.4	-55.4	-62.3	0	0	112.7	K221 T467 F469	K221-M223 PolarHBondContact O-N 3.23Å; M223-T467 PolarHBondContact N-O 2.86Å; M223-F469 HydrophobicContact CG-CB 3.31Å; M223-F469 HydrophobicContact CG-CG 4.28Å; M223-F469 HydrophobicContact SD-CB 3.8Å; M223-F469 HydrophobicContact SD-CG 4.33Å
224	K	82.3	Confident	79.8	Confident	121 Å²	121	53.9 Å²	53.9	53%	0.526	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.3	-172.4	-172.8	177.8	177.3	-177.8	0	111.3	T467	K224-T467 PolarHBondContact N-O 3.01Å; K224-T467 PolarHBondContact O-N 2.93Å
225	I	91	Very high	82	Confident	11 Å²	11	53.5 Å²	53.5	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.6	169.6	-59.5	174.9	0	0	0	107.5	L222 F398 V416 I432 F434 L453 F464 V466	L222-I225 HydrophobicContact CD1-CG1 4.17Å; L222-I225 HydrophobicContact CD2-CD1 4.15Å; L222-I225 HydrophobicContact CD2-CG1 4.19Å; I225-F398 HydrophobicContact CD1-CZ 4.4Å; I225-V416 HydrophobicContact CD1-CG2 3.69Å; I225-I432 HydrophobicContact CG1-CG2 4.26Å; I225-F434 HydrophobicContact CB-CB 3.85Å; I225-F434 HydrophobicContact CD1-CB 4.2Å; I225-F434 HydrophobicContact CD1-CD1 4.03Å; I225-F434 HydrophobicContact CD1-CG 4.3Å; I225-F434 HydrophobicContact CG2-CB 3.65Å; I225-F434 HydrophobicContact CG2-CG 4.43Å; I225-L453 HydrophobicContact CD1-CD1 3.83Å; I225-L453 HydrophobicContact CG1-CD1 4.29Å; I225-L453 HydrophobicContact CG2-CD1 4.37Å; I225-F464 HydrophobicContact CG2-CB 3.51Å; I225-F464 HydrophobicContact CG2-CD1 3.89Å; I225-F464 HydrophobicContact CG2-CG 3.95Å; I225-V466 HydrophobicContact CG1-CG1 4.49Å
226	T	84.8	Confident	84.1	Confident	63 Å²	63	53.3 Å²	53.3	39%	0.387	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.4	-179.4	-53.7	0	0	0	0	110.3	F464 N465	T226-F464 CarbonylContact O-C 3.5Å; T226-F464 WeakPolarHBondContact O-CA 3.42Å; T226-N465 PolarHBondContact N-O 3.42Å; T226-N465 PolarHBondContact O-N 2.93Å
227	G	87.8	Confident	86.2	Confident	34 Å²	34	51.7 Å²	51.7	35%	0.351	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	139.4	-162.4	-174.1	0	0	0	0	0	110.8
228	P	93	Very high	88.4	Confident	21 Å²	21	52.5 Å²	52.5	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-82.7	156.7	7.1	30.8	-31.9	0	0	0	113.5	H435 Q437 V462 L463 F464	P228-H435 WeakPolarHBondContact CD-O 3.17Å; P228-Q437 HydrophobicContact CG-CB 3.58Å; P228-Q437 HydrophobicContact CG-CG 4.48Å; P228-Q437 VanDerWaalsContact CG-OE1 3.28Å; P228-V462 HydrophobicContact CB-CB 4.12Å; P228-V462 HydrophobicContact CB-CG2 4.38Å; P228-L463 WeakPolarHBondContact CA-O 3.43Å; P228-F464 HydrophobicContact CB-CD1 4.14Å; P228-F464 HydrophobicContact CB-CE1 3.56Å; P228-F464 HydrophobicContact CB-CE2 4.5Å; P228-F464 HydrophobicContact CB-CZ 3.77Å; P228-F464 HydrophobicContact CG-CE1 4.18Å; P228-F464 HydrophobicContact CG-CZ 4.49Å
229	I	95	Very high	90.3	Very high	85 Å²	85	51.4 Å²	51.4	44%	0.436	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.9	165.7	-59.4	169.4	0	0	0	107.3	V231 V462 L463	I229-V231 PolarHBondContact O-N 3.05Å; I229-V462 CarbonylContact O-C 3.56Å; I229-V462 VanDerWaalsContact O-CA 3.29Å; I229-V462 WeakPolarHBondContact O-CA 3.48Å; I229-L463 HydrophobicContact CB-CB 4.47Å; I229-L463 PolarHBondContact N-O 3.23Å; I229-L463 PolarHBondContact O-N 3.05Å
230	T	97.1	Very high	91.6	Very high	49 Å²	49	50 Å²	50	30%	0.301	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.2	177	-55.6	0	0	0	0	110.1	I233 Y438	T230-I233 HydrophobicContact CG2-CG1 4.25Å; T230-Y438 HydrophobicContact CG2-CE2 4.47Å; T230-Y438 WeakPolarHBondContact OG1-CE2 3.29Å; T230-Y438 PolarHBondContact OG1-OH 3.23Å
231	V	96.9	Very high	92.8	Very high	26 Å²	26	49.6 Å²	49.6	16%	0.158	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-47.9	180	177.2	0	0	0	0	110.4	I229 W241 M272 F275 V276 Q461 L463	I229-V231 PolarHBondContact O-N 3.05Å; V231-W241 HydrophobicContact CB-CH2 4.11Å; V231-W241 HydrophobicContact CG1-CH2 4.28Å; V231-W241 HydrophobicContact CG1-CZ3 4.3Å; V231-W241 HydrophobicContact CG2-CH2 3.83Å; V231-W241 HydrophobicContact CG2-CZ2 4.46Å; V231-M272 HydrophobicContact CG1-CG 4.43Å; V231-M272 HydrophobicContact CG1-SD 3.58Å; V231-M272 VanDerWaalsContact CG1-SD 3.58Å; V231-F275 HydrophobicContact CG1-CD1 3.88Å; V231-F275 HydrophobicContact CG1-CE1 3.93Å; V231-V276 HydrophobicContact CG1-CG2 3.89Å; V231-Q461 WeakPolarHBondContact CB-O 3.39Å; V231-Q461 PolarHBondContact N-O 2.89Å; V231-L463 HydrophobicContact CG2-CD1 3.7Å; V231-L463 HydrophobicContact CG2-CG 3.86Å
232	K	95.4	Very high	93.5	Very high	28 Å²	28	46.6 Å²	46.6	12%	0.122	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.3	-176.8	-166.8	-175.2	-175.4	70.7	0	111	F275 V276 Q461	K232-F275 HydrophobicContact CB-CD1 4.36Å; K232-F275 HydrophobicContact CB-CE1 3.66Å; K232-F275 HydrophobicContact CB-CZ 3.91Å; K232-F275 HydrophobicContact CD-CD1 4.31Å; K232-F275 HydrophobicContact CD-CD2 4.03Å; K232-F275 HydrophobicContact CD-CE1 3.89Å; K232-F275 HydrophobicContact CD-CE2 3.57Å; K232-F275 HydrophobicContact CD-CG 4.38Å; K232-F275 HydrophobicContact CD-CZ 3.48Å; K232-F275 VanDerWaalsContact CD-CZ 3.48Å; K232-F275 VanDerWaalsContact CD-O 3.3Å; K232-F275 WeakPolarHBondContact CD-O 3.31Å; K232-F275 VanDerWaalsContact CE-O 3.28Å; K232-F275 WeakPolarHBondContact CE-O 3.44Å; K232-F275 HydrophobicContact CG-CE1 4.41Å; K232-F275 HydrophobicContact CG-CZ 4.31Å; K232-F275 PolarHBondContact NZ-O 3.34Å; K232-V276 PolarHBondContact NZ-O 2.83Å; K232-Q461 HydrophobicContact CB-CB 4.34Å; K232-Q461 PolarHBondContact N-O 3.16Å; K232-Q461 PolarHBondContact O-N 2.72Å; K232-Q461 PolarHBondContact O-OE1 2.93Å
233	I	97.4	Very high	93.9	Very high	119 Å²	119	46.7 Å²	46.7	61%	0.61	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.3	169.3	-49.6	-178.4	0	0	0	106.4	T230	T230-I233 HydrophobicContact CG2-CG1 4.25Å
234	S	95.5	Very high	94.5	Very high	36 Å²	36	42.2 Å²	42.2	25%	0.252	24%	0.235	S	C	.	.			trans	-165.3	150.6	-175	-155.1	0	0	0	0	112	Y256 G459 Q461	S234-Y256 PolarHBondContact O-OH 3.18Å; S234-G459 PolarHBondContact N-O 2.94Å; S234-G459 VanDerWaalsContact O-O 3.09Å; S234-Q461 PolarHBondContact O-NE2 2.93Å
235	G	95.5	Very high	94.8	Very high	42 Å²	42	37.4 Å²	37.4	43%	0.433	22%	0.216	S	C	.	.	S	Bend	trans	86.4	-170.8	175.1	0	0	0	0	0	114.6	Y256 D258	G235-Y256 WeakPolarHBondContact CA-OH 3.16Å; G235-Y256 PolarHBondContact N-OH 3.17Å; G235-Y256 VanDerWaalsContact N-OH 3.15Å; G235-D258 WeakPolarHBondContact CA-OD2 3.38Å
236	T	96.6	Very high	94.5	Very high	65 Å²	65	41.1 Å²	41.1	40%	0.399	24%	0.235	S	C	.	.	S	Bend	trans	-77.6	-177.5	176.3	69.6	0	0	0	0	111.5	F238 D258 W456 G459	T236-F238 PolarHBondContact O-N 3.01Å; T236-F238 VanDerWaalsContact O-N 3.14Å; T236-F238 PolarHBondContact OG1-O 2.89Å; T236-D258 WeakPolarHBondContact CB-OD1 3.43Å; T236-D258 WeakPolarHBondContact CG2-OD1 3.39Å; T236-D258 PolarHBondContact N-OD1 3.16Å; T236-D258 PolarHBondContact N-OD2 3.29Å; T236-D258 PolarHBondContact OG1-OD1 3.33Å; T236-W456 VanDerWaalsContact O-CZ2 3.32Å; T236-W456 WeakPolarHBondContact O-CZ2 3.3Å; T236-W456 PolarHBondContact O-NE1 2.86Å; T236-G459 VanDerWaalsContact O-CA 3.23Å; T236-G459 WeakPolarHBondContact O-CA 3.49Å
237	R	96.8	Very high	94.3	Very high	122 Å²	122	38.9 Å²	38.9	46%	0.46	22%	0.223	S	C	.	.	S	Bend	trans	-57.6	-27.2	176.5	177.8	166	-176.8	-168.3	3.3	113.5	H440 W456 N458 G459	R237-H440 PolarHBondContact NH2-CD2 3.27Å; R237-W456 VanDerWaalsContact O-CD1 3.26Å; R237-W456 PolarHBondContact O-NE1 2.74Å; R237-W456 VanDerWaalsContact O-NE1 3.08Å; R237-N458 VanDerWaalsContact CG-OD1 3.31Å; R237-N458 WeakPolarHBondContact CG-OD1 3.48Å; R237-G459 PolarHBondContact O-N 3.14Å
238	F	97.8	Very high	93.4	Very high	43 Å²	43	40.7 Å²	40.7	19%	0.189	23%	0.231	C	C	.	.	S	Bend	trans	-128.9	145.8	-172.6	-43.6	-77.9	0	0	0	110.5	T236 S259 Y260 T293 W341 H440 W456	T236-F238 PolarHBondContact O-N 3.01Å; T236-F238 VanDerWaalsContact O-N 3.14Å; T236-F238 PolarHBondContact OG1-O 2.89Å; F238-S259 VanDerWaalsContact O-CA 3.24Å; F238-S259 WeakPolarHBondContact O-CA 3.46Å; F238-S259 PolarHBondContact O-N 3.34Å; F238-Y260 HydrophobicContact CB-CD1 3.81Å; F238-Y260 AromaticContact CD2-CD1 3.5Å; F238-Y260 HydrophobicContact CD2-CD1 3.5Å; F238-Y260 VanDerWaalsContact CD2-CD1 3.5Å; F238-Y260 AromaticContact CD2-CE1 3.6Å; F238-Y260 HydrophobicContact CD2-CE1 3.6Å; F238-Y260 HydrophobicContact CE2-CD1 4.18Å; F238-Y260 AromaticContact CE2-CE1 3.85Å; F238-Y260 HydrophobicContact CE2-CE1 3.85Å; F238-Y260 AromaticContact CG-CD1 3.72Å; F238-Y260 HydrophobicContact CG-CD1 3.72Å; F238-Y260 HydrophobicContact CG-CE1 4.24Å; F238-T293 HydrophobicContact CB-CG2 4.42Å; F238-W341 HydrophobicContact CD1-CE3 4.32Å; F238-W341 HydrophobicContact CD1-CZ3 4.12Å; F238-W341 HydrophobicContact CE1-CE3 4.37Å; F238-H440 AromaticContact CE1-CE1 3.53Å; F238-W456 VanDerWaalsContact C-CE2 3.5Å
239	G	97.8	Very high	91.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-174.4	176.7	0	0	0	0	0	110.6	M257 T293 M443 W456	G239-M257 CarbonylContact C-O 3.46Å; G239-M257 WeakPolarHBondContact CA-O 3.46Å; G239-T293 WeakPolarHBondContact O-CG2 3.41Å; G239-M443 WeakPolarHBondContact O-CB 3.44Å; G239-W456 VanDerWaalsContact C-CD2 3.5Å; G239-W456 WeakPolarHBondContact O-CB 3.23Å
240	A	97.9	Very high	90.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.4	177.8	0	0	0	0	0	109.5	M242 M257 T293 M443	A240-M242 HydrophobicContact CB-CE 3.9Å; A240-M257 HydrophobicContact CB-CB 4.41Å; A240-M257 HydrophobicContact CB-CE 4.34Å; A240-M257 PolarHBondContact N-O 3.1Å; A240-M257 PolarHBondContact O-N 2.94Å; A240-T293 WeakPolarHBondContact CB-O 2.98Å; A240-M443 HydrophobicContact CB-CG 4.25Å
241	W	98.3	Very high	89.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143.6	173.4	74.7	-64.4	0	0	0	109	V231 V254 W255 Y256 M272 F275 M443 Y454 A455 Q461 L463	V231-W241 HydrophobicContact CB-CH2 4.11Å; V231-W241 HydrophobicContact CG1-CH2 4.28Å; V231-W241 HydrophobicContact CG1-CZ3 4.3Å; V231-W241 HydrophobicContact CG2-CH2 3.83Å; V231-W241 HydrophobicContact CG2-CZ2 4.46Å; W241-V254 HydrophobicContact CE3-CG1 3.98Å; W241-W255 VanDerWaalsContact CA-O 3.23Å; W241-W255 WeakPolarHBondContact CA-O 3.32Å; W241-Y256 HydrophobicContact CB-CD2 4.29Å; W241-M272 HydrophobicContact CH2-CE 4.48Å; W241-M272 HydrophobicContact CZ3-CE 3.93Å; W241-M272 HydrophobicContact CZ3-SD 4.05Å; W241-F275 HydrophobicContact CD2-CE1 4.43Å; W241-F275 HydrophobicContact CE3-CD1 4.31Å; W241-F275 AromaticContact CE3-CE1 3.69Å; W241-F275 HydrophobicContact CE3-CE1 3.69Å; W241-F275 HydrophobicContact CE3-CZ 4.11Å; W241-F275 HydrophobicContact CZ3-CD1 4.27Å; W241-F275 AromaticContact CZ3-CE1 3.89Å; W241-F275 HydrophobicContact CZ3-CE1 3.89Å; W241-M443 WeakPolarHBondContact O-CE 3.47Å; W241-Y454 AromaticContact CD2-CD1 3.86Å; W241-Y454 HydrophobicContact CD2-CD1 3.86Å; W241-Y454 HydrophobicContact CD2-CE1 4.46Å; W241-Y454 AromaticContact CE2-CD1 3.69Å; W241-Y454 AromaticContact CE3-CD1 3.86Å; W241-Y454 HydrophobicContact CE3-CD1 3.86Å; W241-Y454 AromaticContact CE3-CE1 3.99Å; W241-Y454 HydrophobicContact CE3-CE1 3.99Å; W241-Y454 AromaticContact CH2-CD1 3.55Å; W241-Y454 HydrophobicContact CH2-CD1 3.55Å; W241-Y454 AromaticContact CH2-CE1 3.61Å; W241-Y454 HydrophobicContact CH2-CE1 3.61Å; W241-Y454 AromaticContact CZ2-CD1 3.54Å; W241-Y454 HydrophobicContact CZ2-CD1 3.54Å; W241-Y454 HydrophobicContact CZ2-CE1 4.11Å; W241-Y454 HydrophobicContact CZ2-CG 4.25Å; W241-Y454 AromaticContact CZ3-CD1 3.72Å; W241-Y454 HydrophobicContact CZ3-CD1 3.72Å; W241-Y454 AromaticContact CZ3-CE1 3.55Å; W241-Y454 HydrophobicContact CZ3-CE1 3.55Å; W241-A455 PolarHBondContact NE1-O 2.85Å; W241-Q461 HydrophobicContact CB-CG 4.23Å; W241-Q461 HydrophobicContact CD2-CB 3.75Å; W241-Q461 HydrophobicContact CD2-CG 3.87Å; W241-Q461 HydrophobicContact CE3-CB 4.33Å; W241-Q461 HydrophobicContact CG-CB 4.03Å; W241-Q461 HydrophobicContact CG-CG 3.61Å; W241-Q461 HydrophobicContact CZ2-CB 3.99Å; W241-L463 HydrophobicContact CH2-CD1 4.22Å; W241-L463 HydrophobicContact CH2-CD2 3.69Å; W241-L463 HydrophobicContact CH2-CG 3.75Å; W241-L463 HydrophobicContact CZ2-CD2 3.82Å; W241-L463 HydrophobicContact CZ2-CG 3.99Å
242	M	97.1	Very high	88.3	Confident	10 Å²	10	54.1 Å²	54.1	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	166.8	-172	60.2	-154	60.8	0	0	111.5	A240 W255 M257 H295 V296 V297 M443	A240-M242 HydrophobicContact CB-CE 3.9Å; M242-W255 HydrophobicContact CG-CB 4.5Å; M242-W255 PolarHBondContact N-O 3.3Å; M242-W255 PolarHBondContact O-N 3.06Å; M242-M257 HydrophobicContact CE-CE 3.67Å; M242-M257 HydrophobicContact CG-CE 4.32Å; M242-M257 HydrophobicContact SD-CE 4.01Å; M242-H295 HydrophobicContact CE-CB 4.33Å; M242-H295 WeakPolarHBondContact CE-O 3.46Å; M242-H295 VanDerWaalsContact SD-O 3.39Å; M242-V296 VanDerWaalsContact SD-CA 3.54Å; M242-V297 HydrophobicContact CG-CB 4.1Å; M242-V297 HydrophobicContact CG-CG2 3.85Å; M242-V297 HydrophobicContact SD-CB 4.13Å; M242-V297 HydrophobicContact SD-CG2 3.75Å; M242-V297 PolarHBondContact SD-N 3.42Å; M242-M443 HydrophobicContact CE-CE 4.31Å
243	T	95.8	Very high	88.3	Confident	5 Å²	5	56 Å²	56	3%	0.031	29%	0.291	C	S	.	.			trans	-120.3	160.6	165.4	66.6	0	0	0	0	109	P245 R253 V254 M272 N447 R449 Y454	T243-P245 WeakPolarHBondContact O-CD 3.41Å; T243-R253 WeakPolarHBondContact CG2-O 3.36Å; T243-V254 HydrophobicContact CG2-CG2 4.01Å; T243-M272 HydrophobicContact CG2-CE 4.46Å; T243-N447 PolarHBondContact O-ND2 3.46Å; T243-N447 VanDerWaalsContact O-ND2 3.1Å; T243-N447 PolarHBondContact OG1-ND2 2.84Å; T243-R449 PolarHBondContact OG1-NH2 2.95Å; T243-Y454 HydrophobicContact CG2-CE1 4.07Å; T243-Y454 WeakPolarHBondContact CG2-OH 3.34Å; T243-Y454 PolarHBondContact OG1-OH 2.89Å
244	D	94.1	Very high	88.3	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	26%	0.262	C	S	.	.			trans	-81.6	117.2	178.5	-174.4	-13.8	0	0	0	109.3	L246 A247 W255 V297 N299 G300 R449	D244-L246 PolarHBondContact O-N 2.9Å; D244-L246 PolarHBondContact OD1-N 2.75Å; D244-A247 HydrophobicContact CB-CB 3.89Å; D244-A247 PolarHBondContact O-N 2.82Å; D244-W255 HydrophobicContact CB-CH2 3.82Å; D244-W255 HydrophobicContact CB-CZ3 3.79Å; D244-V297 HydrophobicContact CB-CG1 3.87Å; D244-N299 PolarHBondContact OD1-N 2.65Å; D244-N299 WeakPolarHBondContact OD2-CA 3.36Å; D244-N299 PolarHBondContact OD2-N 3.41Å; D244-N299 VanDerWaalsContact OD2-N 3.11Å; D244-G300 PolarHBondContact OD2-N 3.13Å; D244-R449 PolarHBondContact O-NH1 3.21Å; D244-R449 VanDerWaalsContact O-NH1 3.14Å
245	P	88.8	Confident	88.4	Confident	20 Å²	20	48.8 Å²	48.8	13%	0.13	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.8	-179.6	28.6	-35.4	0	0	0	113.1	T243 V297 Y298 R449	T243-P245 WeakPolarHBondContact O-CD 3.41Å; P245-V297 WeakPolarHBondContact CD-O 3.38Å; P245-Y298 HydrophobicContact CG-CD2 3.74Å; P245-Y298 HydrophobicContact CG-CE2 4.05Å; P245-R449 HydrophobicContact CB-CB 4.35Å
246	L	84.8	Confident	88.6	Confident	89 Å²	89	46.9 Å²	46.9	47%	0.466	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.6	176.9	-61.9	-169	0	0	0	113.7	D244 Y298 N299	D244-L246 PolarHBondContact O-N 2.9Å; D244-L246 PolarHBondContact OD1-N 2.75Å; L246-Y298 HydrophobicContact CD1-CD1 4.44Å; L246-Y298 HydrophobicContact CD1-CD2 4.46Å; L246-Y298 HydrophobicContact CD1-CE1 3.9Å; L246-Y298 HydrophobicContact CD1-CE2 3.94Å; L246-Y298 HydrophobicContact CD2-CE2 4.32Å; L246-Y298 HydrophobicContact CG-CD2 4.3Å; L246-Y298 HydrophobicContact CG-CE2 3.83Å; L246-N299 HydrophobicContact CD1-CB 3.91Å
247	A	80.6	Confident	88.7	Confident	15 Å²	15	43.8 Å²	43.8	12%	0.124	21%	0.212	C	C	.	.	S	Bend	trans	-71.5	138.9	176.6	0	0	0	0	0	111.1	D244 N251 R449	D244-A247 HydrophobicContact CB-CB 3.89Å; D244-A247 PolarHBondContact O-N 2.82Å; A247-N251 HydrophobicContact CB-CB 4.38Å; A247-N251 WeakPolarHBondContact CB-O 3.11Å; A247-R449 PolarHBondContact O-NH1 2.95Å
248	S	69.9	Low	88.7	Confident	73 Å²	73	39.6 Å²	39.6	51%	0.51	20%	0.198	S	C	.	.			trans	-55.7	153.1	173.8	66.2	0	0	0	0	111.6	K250 N251	S248-K250 PolarHBondContact O-N 2.68Å; S248-N251 CarbonylContact O-C 3.52Å; S248-N251 WeakPolarHBondContact O-CA 3.34Å; S248-N251 PolarHBondContact O-N 2.87Å
249	E	61.9	Low	88.7	Confident	145 Å²	145	38.9 Å²	38.9	68%	0.678	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.3	177.9	-63.5	-171.8	166.9	0	0	114.6	N251 N252	E249-N251 PolarHBondContact O-N 2.93Å; E249-N252 VanDerWaalsContact O-CG 3.27Å; E249-N252 PolarHBondContact O-ND2 2.98Å; E249-N252 PolarHBondContact O-OD1 2.94Å
250	K	58.8	Low	88.6	Confident	208 Å²	208	41.9 Å²	41.9	90%	0.904	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.9	172.8	-65	-178.9	-179.2	174.9	0	113	S248	S248-K250 PolarHBondContact O-N 2.68Å
251	N	72.5	Confident	88.5	Confident	42 Å²	42	42.7 Å²	42.7	23%	0.225	22%	0.215	C	C	.	.			trans	-122.3	76	-173.6	-172	0.1	0	0	0	109.5	A247 S248 E249 R253	A247-N251 HydrophobicContact CB-CB 4.38Å; A247-N251 WeakPolarHBondContact CB-O 3.11Å; S248-N251 CarbonylContact O-C 3.52Å; S248-N251 WeakPolarHBondContact O-CA 3.34Å; S248-N251 PolarHBondContact O-N 2.87Å; E249-N251 PolarHBondContact O-N 2.93Å; N251-R253 VanDerWaalsContact C-N 3.27Å; N251-R253 VanDerWaalsContact ND2-CZ 3.26Å; N251-R253 PolarHBondContact ND2-NH2 3.44Å; N251-R253 PolarHBondContact O-N 3.42Å; N251-R253 WeakPolarHBondContact OD1-CG 3.43Å; N251-R253 PolarHBondContact OD1-NE 2.76Å
252	N	81.6	Confident	88.2	Confident	68 Å²	68	47.3 Å²	47.3	36%	0.364	24%	0.24	S	C	.	.			trans	-96.6	43.9	-178	-63.9	-25.9	0	0	0	111.4	E249 K270 S271	E249-N252 VanDerWaalsContact O-CG 3.27Å; E249-N252 PolarHBondContact O-ND2 2.98Å; E249-N252 PolarHBondContact O-OD1 2.94Å; N252-K270 CarbonylContact C-O 3.54Å; N252-S271 VanDerWaalsContact O-CA 3.32Å; N252-S271 WeakPolarHBondContact O-CA 3.08Å
253	R	94.9	Very high	88.1	Confident	67 Å²	67	48.6 Å²	48.6	25%	0.253	25%	0.247	S	C	.	.			trans	-60.2	142.2	176.4	-79.2	-175.6	-66.7	-127.4	10.9	110.6	T243 N251 W255 E268 Y269	T243-R253 WeakPolarHBondContact CG2-O 3.36Å; N251-R253 VanDerWaalsContact C-N 3.27Å; N251-R253 VanDerWaalsContact ND2-CZ 3.26Å; N251-R253 PolarHBondContact ND2-NH2 3.44Å; N251-R253 PolarHBondContact O-N 3.42Å; N251-R253 WeakPolarHBondContact OD1-CG 3.43Å; N251-R253 PolarHBondContact OD1-NE 2.76Å; R253-W255 HydrophobicContact CB-CE3 4.39Å; R253-W255 HydrophobicContact CB-CH2 3.56Å; R253-W255 HydrophobicContact CB-CZ2 3.89Å; R253-W255 HydrophobicContact CB-CZ3 3.8Å; R253-W255 WeakPolarHBondContact O-CZ3 3.13Å; R253-E268 VanDerWaalsContact CD-CD 3.48Å; R253-E268 WeakPolarHBondContact CD-OE1 3.47Å; R253-E268 HydrophobicContact CG-CG 4.3Å; R253-Y269 CarbonylContact C-O 3.56Å; R253-Y269 WeakPolarHBondContact CA-O 3.36Å
254	V	97.6	Very high	88.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.9	174.8	-175.4	0	0	0	0	108.1	W241 T243 E268 Y269 M272 F275	W241-V254 HydrophobicContact CE3-CG1 3.98Å; T243-V254 HydrophobicContact CG2-CG2 4.01Å; V254-E268 WeakPolarHBondContact O-CA 3.15Å; V254-Y269 PolarHBondContact N-O 3.08Å; V254-Y269 PolarHBondContact O-N 2.94Å; V254-M272 HydrophobicContact CG2-CE 4.08Å; V254-M272 HydrophobicContact CG2-SD 4.14Å; V254-F275 HydrophobicContact CB-CB 4.12Å; V254-F275 HydrophobicContact CB-CG 4.27Å; V254-F275 HydrophobicContact CG1-CB 4.28Å; V254-F275 HydrophobicContact CG1-CD1 4.16Å; V254-F275 HydrophobicContact CG1-CD2 4.01Å; V254-F275 HydrophobicContact CG1-CE2 4.41Å; V254-F275 HydrophobicContact CG1-CG 3.87Å; V254-F275 HydrophobicContact CG2-CB 4.03Å; V254-F275 HydrophobicContact CG2-CG 4.43Å
255	W	98.4	Very high	88.3	Confident	3 Å²	3	55.3 Å²	55.3	1%	0.011	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.2	173.3	-64.8	-95.7	0	0	0	109.5	W241 M242 D244 R253 M257 V266 R267 V297 F317	W241-W255 VanDerWaalsContact CA-O 3.23Å; W241-W255 WeakPolarHBondContact CA-O 3.32Å; M242-W255 HydrophobicContact CG-CB 4.5Å; M242-W255 PolarHBondContact N-O 3.3Å; M242-W255 PolarHBondContact O-N 3.06Å; D244-W255 HydrophobicContact CB-CH2 3.82Å; D244-W255 HydrophobicContact CB-CZ3 3.79Å; R253-W255 HydrophobicContact CB-CE3 4.39Å; R253-W255 HydrophobicContact CB-CH2 3.56Å; R253-W255 HydrophobicContact CB-CZ2 3.89Å; R253-W255 HydrophobicContact CB-CZ3 3.8Å; R253-W255 WeakPolarHBondContact O-CZ3 3.13Å; W255-M257 HydrophobicContact CB-CE 4.21Å; W255-V266 HydrophobicContact CB-CG1 4.29Å; W255-R267 CarbonylContact C-O 3.56Å; W255-R267 WeakPolarHBondContact CA-O 3.47Å; W255-V297 HydrophobicContact CB-CG2 4.06Å; W255-V297 HydrophobicContact CD2-CB 4.42Å; W255-V297 HydrophobicContact CD2-CG1 4.07Å; W255-V297 HydrophobicContact CD2-CG2 3.99Å; W255-V297 HydrophobicContact CE3-CB 4.29Å; W255-V297 HydrophobicContact CE3-CG1 4Å; W255-V297 HydrophobicContact CE3-CG2 4.27Å; W255-V297 HydrophobicContact CG-CG2 3.91Å; W255-V297 HydrophobicContact CH2-CG1 4.07Å; W255-V297 HydrophobicContact CZ2-CG1 4.14Å; W255-V297 HydrophobicContact CZ3-CG1 4.03Å; W255-F317 AromaticContact CD1-CE1 3.71Å; W255-F317 AromaticContact CD1-CE2 3.62Å; W255-F317 AromaticContact CD1-CZ 3.28Å; W255-F317 HydrophobicContact CD2-CE2 4.43Å; W255-F317 AromaticContact CE2-CE2 3.85Å; W255-F317 HydrophobicContact CG-CE2 4.29Å; W255-F317 HydrophobicContact CG-CZ 4.1Å; W255-F317 HydrophobicContact CZ2-CD2 4.34Å; W255-F317 HydrophobicContact CZ2-CE2 4.45Å; W255-F317 AromaticContact NE1-CD2 3.54Å; W255-F317 AromaticContact NE1-CE1 3.79Å; W255-F317 AromaticContact NE1-CE2 3.3Å; W255-F317 VanDerWaalsContact NE1-CE2 3.3Å; W255-F317 AromaticContact NE1-CG 3.88Å; W255-F317 AromaticContact NE1-CZ 3.41Å
256	Y	98.4	Very high	88.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.7	-173	175.1	-85.8	0	0	0	110.1	S234 G235 W241 D258 R267 Y269 F275 W456 Q461	S234-Y256 PolarHBondContact O-OH 3.18Å; G235-Y256 WeakPolarHBondContact CA-OH 3.16Å; G235-Y256 PolarHBondContact N-OH 3.17Å; G235-Y256 VanDerWaalsContact N-OH 3.15Å; W241-Y256 HydrophobicContact CB-CD2 4.29Å; Y256-D258 HydrophobicContact CE1-CB 3.85Å; Y256-R267 HydrophobicContact CD1-CB 4.37Å; Y256-R267 PolarHBondContact N-O 3.19Å; Y256-R267 PolarHBondContact O-N 3.46Å; Y256-Y269 HydrophobicContact CG-CE2 4.44Å; Y256-F275 AromaticContact CD2-CE2 3.64Å; Y256-F275 HydrophobicContact CD2-CE2 3.64Å; Y256-F275 HydrophobicContact CD2-CZ 4.01Å; Y256-F275 HydrophobicContact CE2-CE2 4.3Å; Y256-F275 HydrophobicContact CE2-CZ 4.49Å; Y256-F275 HydrophobicContact CG-CE2 4.26Å; Y256-W456 HydrophobicContact CD2-CH2 4.35Å; Y256-W456 AromaticContact CD2-CZ3 3.88Å; Y256-W456 HydrophobicContact CD2-CZ3 3.88Å; Y256-W456 HydrophobicContact CE1-CH2 4.43Å; Y256-W456 AromaticContact CE2-CH2 3.42Å; Y256-W456 HydrophobicContact CE2-CH2 3.42Å; Y256-W456 VanDerWaalsContact CE2-CH2 3.42Å; Y256-W456 AromaticContact CE2-CZ3 3.34Å; Y256-W456 HydrophobicContact CE2-CZ3 3.34Å; Y256-W456 AromaticContact CZ-CH2 3.47Å; Y256-W456 VanDerWaalsContact CZ-CH2 3.47Å; Y256-W456 AromaticContact CZ-CZ3 3.86Å; Y256-W456 VanDerWaalsContact OH-CH2 3.31Å; Y256-W456 WeakPolarHBondContact OH-CH2 3.35Å; Y256-Q461 HydrophobicContact CE2-CG 4.49Å
257	M	98.3	Very high	89.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	105.9	-176.5	-71.9	142.2	-69.5	0	0	108.8	G239 A240 M242 W255 V266 W290 H295 L302	G239-M257 CarbonylContact C-O 3.46Å; G239-M257 WeakPolarHBondContact CA-O 3.46Å; A240-M257 HydrophobicContact CB-CB 4.41Å; A240-M257 HydrophobicContact CB-CE 4.34Å; A240-M257 PolarHBondContact N-O 3.1Å; A240-M257 PolarHBondContact O-N 2.94Å; M242-M257 HydrophobicContact CE-CE 3.67Å; M242-M257 HydrophobicContact CG-CE 4.32Å; M242-M257 HydrophobicContact SD-CE 4.01Å; W255-M257 HydrophobicContact CB-CE 4.21Å; M257-V266 HydrophobicContact CG-CB 4.3Å; M257-V266 HydrophobicContact CG-CG1 4.02Å; M257-V266 HydrophobicContact CG-CG2 3.88Å; M257-V266 HydrophobicContact SD-CG1 4.32Å; M257-V266 HydrophobicContact SD-CG2 4.34Å; M257-W290 HydrophobicContact CB-CH2 4Å; M257-W290 HydrophobicContact CB-CZ2 3.9Å; M257-W290 HydrophobicContact CG-CH2 4.06Å; M257-W290 HydrophobicContact CG-CZ2 4.41Å; M257-W290 HydrophobicContact CG-CZ3 4.36Å; M257-H295 HydrophobicContact SD-CB 4.18Å; M257-L302 HydrophobicContact SD-CD1 3.86Å; M257-L302 HydrophobicContact SD-CD2 4.35Å
258	D	97.4	Very high	90.2	Very high	33 Å²	33	54.7 Å²	54.7	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.8	179.6	-164.1	4.1	0	0	0	111.1	G235 T236 Y256 N263 W290	G235-D258 WeakPolarHBondContact CA-OD2 3.38Å; T236-D258 WeakPolarHBondContact CB-OD1 3.43Å; T236-D258 WeakPolarHBondContact CG2-OD1 3.39Å; T236-D258 PolarHBondContact N-OD1 3.16Å; T236-D258 PolarHBondContact N-OD2 3.29Å; T236-D258 PolarHBondContact OG1-OD1 3.33Å; Y256-D258 HydrophobicContact CE1-CB 3.85Å; D258-N263 PolarHBondContact O-ND2 2.94Å; D258-W290 WeakPolarHBondContact O-CZ2 3.21Å
259	S	97.2	Very high	91.5	Very high	28 Å²	28	51.6 Å²	51.6	20%	0.196	24%	0.241	C	C	.	.			trans	69.9	153.7	-175.4	-173.7	0	0	0	0	114.9	F238 T261 W290	F238-S259 VanDerWaalsContact O-CA 3.24Å; F238-S259 WeakPolarHBondContact O-CA 3.46Å; F238-S259 PolarHBondContact O-N 3.34Å; S259-T261 PolarHBondContact OG-N 3.05Å; S259-T261 PolarHBondContact OG-O 3.04Å; S259-W290 PolarHBondContact O-NE1 3.35Å
260	Y	96.8	Very high	93.1	Very high	64 Å²	64	51.2 Å²	51.2	25%	0.251	24%	0.238	S	C	.	.	S	Bend	trans	-92.2	-7.2	174.2	69.7	-93.6	0	0	0	113.1	F238 G292 W341 G343 F344	F238-Y260 HydrophobicContact CB-CD1 3.81Å; F238-Y260 AromaticContact CD2-CD1 3.5Å; F238-Y260 HydrophobicContact CD2-CD1 3.5Å; F238-Y260 VanDerWaalsContact CD2-CD1 3.5Å; F238-Y260 AromaticContact CD2-CE1 3.6Å; F238-Y260 HydrophobicContact CD2-CE1 3.6Å; F238-Y260 HydrophobicContact CE2-CD1 4.18Å; F238-Y260 AromaticContact CE2-CE1 3.85Å; F238-Y260 HydrophobicContact CE2-CE1 3.85Å; F238-Y260 AromaticContact CG-CD1 3.72Å; F238-Y260 HydrophobicContact CG-CD1 3.72Å; F238-Y260 HydrophobicContact CG-CE1 4.24Å; Y260-G292 WeakPolarHBondContact CA-O 3.33Å; Y260-G292 PolarHBondContact O-N 2.87Å; Y260-W341 HydrophobicContact CG-CZ3 4.43Å; Y260-G343 WeakPolarHBondContact CD2-O 3.42Å; Y260-F344 AromaticContact CD2-CD2 3.7Å; Y260-F344 HydrophobicContact CD2-CD2 3.7Å; Y260-F344 HydrophobicContact CD2-CE2 4.13Å; Y260-F344 AromaticContact CE2-CD2 3.69Å; Y260-F344 HydrophobicContact CE2-CD2 3.69Å; Y260-F344 AromaticContact CE2-CE2 3.66Å; Y260-F344 HydrophobicContact CE2-CE2 3.66Å
261	T	94.8	Very high	94.7	Very high	16 Å²	16	42.9 Å²	42.9	10%	0.098	21%	0.205	C	C	.	.	S	Bend	trans	-155.2	164.7	-175.3	-170	0	0	0	0	112.3	S259 N263 Y307 F344	S259-T261 PolarHBondContact OG-N 3.05Å; S259-T261 PolarHBondContact OG-O 3.04Å; T261-N263 PolarHBondContact O-N 3.28Å; T261-Y307 VanDerWaalsContact OG1-CE2 3.23Å; T261-Y307 WeakPolarHBondContact OG1-CE2 3.46Å; T261-F344 HydrophobicContact CG2-CE2 4.2Å
262	N	91.7	Very high	95.6	Very high	98 Å²	98	43.6 Å²	43.6	52%	0.524	21%	0.208	S	C	.	.	S	Bend	trans	56.1	12.9	175	-80	-43.4	0	0	0	115.9	K289	N262-K289 PolarHBondContact OD1-NZ 2.82Å
263	N	94.9	Very high	96.2	Very high	36 Å²	36	43.6 Å²	43.6	19%	0.193	22%	0.218	C	C	.	.			trans	-116	154.6	176.7	-162.7	-0.1	0	0	0	110.6	D258 T261 I265 K289 W290	D258-N263 PolarHBondContact O-ND2 2.94Å; T261-N263 PolarHBondContact O-N 3.28Å; N263-I265 WeakPolarHBondContact OD1-CB 3.4Å; N263-I265 PolarHBondContact OD1-N 2.75Å; N263-K289 WeakPolarHBondContact O-CA 3.28Å; N263-W290 HydrophobicContact CB-CH2 3.83Å; N263-W290 HydrophobicContact CB-CZ2 3.54Å; N263-W290 PolarHBondContact O-N 2.87Å
264	K	96.8	Very high	96.3	Very high	81 Å²	81	42.8 Å²	42.8	35%	0.352	22%	0.218	S	C	.	.			trans	-145.9	12.6	179	61.7	176.3	-174.4	158.9	0	112	N285 L286 K289 W290	K264-N285 VanDerWaalsContact CD-OD1 3.31Å; K264-N285 WeakPolarHBondContact CD-OD1 3.4Å; K264-N285 WeakPolarHBondContact CE-OD1 3.25Å; K264-N285 WeakPolarHBondContact CG-OD1 3.47Å; K264-N285 PolarHBondContact NZ-OD1 3.49Å; K264-L286 HydrophobicContact CB-CB 4.22Å; K264-L286 WeakPolarHBondContact CD-O 3.37Å; K264-L286 WeakPolarHBondContact O-CB 3.47Å; K264-L286 WeakPolarHBondContact O-CG 3.44Å; K264-L286 PolarHBondContact O-N 3.41Å; K264-K289 HydrophobicContact CB-CG 4.38Å; K264-W290 VanDerWaalsContact C-CZ3 3.46Å
265	I	98.2	Very high	96.2	Very high	73 Å²	73	42.8 Å²	42.8	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.2	-174.8	-60.9	-178.3	0	0	0	109.1	N263 T283 Y284 W290	N263-I265 WeakPolarHBondContact OD1-CB 3.4Å; N263-I265 PolarHBondContact OD1-N 2.75Å; I265-T283 HydrophobicContact CG2-CG2 3.59Å; I265-Y284 WeakPolarHBondContact CA-O 3.22Å; I265-W290 WeakPolarHBondContact O-CH2 3.4Å
266	V	98.4	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.4	173.8	-175	0	0	0	0	108.5	W255 M257 T283 Y284 L286 W290 L302 F317	W255-V266 HydrophobicContact CB-CG1 4.29Å; M257-V266 HydrophobicContact CG-CB 4.3Å; M257-V266 HydrophobicContact CG-CG1 4.02Å; M257-V266 HydrophobicContact CG-CG2 3.88Å; M257-V266 HydrophobicContact SD-CG1 4.32Å; M257-V266 HydrophobicContact SD-CG2 4.34Å; V266-T283 WeakPolarHBondContact O-CA 3.4Å; V266-Y284 PolarHBondContact N-O 2.86Å; V266-Y284 PolarHBondContact O-N 2.84Å; V266-L286 HydrophobicContact CG2-CD1 3.76Å; V266-L286 HydrophobicContact CG2-CD2 4.14Å; V266-L286 HydrophobicContact CG2-CG 3.93Å; V266-W290 HydrophobicContact CG2-CZ3 4.22Å; V266-L302 HydrophobicContact CG2-CD2 3.88Å; V266-F317 HydrophobicContact CG1-CE1 4.08Å; V266-F317 HydrophobicContact CG1-CZ 4.27Å
267	R	98.4	Very high	96	Very high	98 Å²	98	50.3 Å²	50.3	37%	0.37	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137	175.3	-62.3	179.9	-175.3	179.8	3.5	110	W255 Y256 Y269 E280	W255-R267 CarbonylContact C-O 3.56Å; W255-R267 WeakPolarHBondContact CA-O 3.47Å; Y256-R267 HydrophobicContact CD1-CB 4.37Å; Y256-R267 PolarHBondContact N-O 3.19Å; Y256-R267 PolarHBondContact O-N 3.46Å; R267-Y269 HydrophobicContact CB-CE2 4.07Å; R267-E280 VanDerWaalsContact CD-OE2 3.3Å; R267-E280 WeakPolarHBondContact CD-OE2 3.27Å; R267-E280 IonicContact NE-OE2 3.65Å
268	E	98	Very high	95.8	Very high	13 Å²	13	52 Å²	52	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.2	175.8	177.9	-166	115.3	0	0	110.4	R253 V254 S281 R282 Y284	R253-E268 VanDerWaalsContact CD-CD 3.48Å; R253-E268 WeakPolarHBondContact CD-OE1 3.47Å; R253-E268 HydrophobicContact CG-CG 4.3Å; V254-E268 WeakPolarHBondContact O-CA 3.15Å; E268-S281 VanDerWaalsContact O-CB 3.3Å; E268-S281 WeakPolarHBondContact O-CB 3.46Å; E268-S281 PolarHBondContact O-N 3.04Å; E268-R282 HydrophobicContact CB-CB 4.34Å; E268-R282 PolarHBondContact N-O 2.76Å; E268-R282 PolarHBondContact O-N 3.09Å; E268-Y284 HydrophobicContact CB-CE2 3.84Å; E268-Y284 VanDerWaalsContact OE2-CE2 3.29Å; E268-Y284 WeakPolarHBondContact OE2-CE2 3.46Å; E268-Y284 PolarHBondContact OE2-OH 2.82Å
269	Y	97.6	Very high	95.7	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.9	170.9	-57	-97	0	0	0	108.3	R253 V254 Y256 R267 S271 D274 F275 A279 E280	R253-Y269 CarbonylContact C-O 3.56Å; R253-Y269 WeakPolarHBondContact CA-O 3.36Å; V254-Y269 PolarHBondContact N-O 3.08Å; V254-Y269 PolarHBondContact O-N 2.94Å; Y256-Y269 HydrophobicContact CG-CE2 4.44Å; R267-Y269 HydrophobicContact CB-CE2 4.07Å; Y269-S271 VanDerWaalsContact C-N 3.25Å; Y269-S271 PolarHBondContact O-N 3.23Å; Y269-D274 WeakPolarHBondContact CD1-O 3.46Å; Y269-F275 HydrophobicContact CD1-CB 4.36Å; Y269-F275 HydrophobicContact CD1-CD2 4.37Å; Y269-F275 HydrophobicContact CD2-CB 4.36Å; Y269-F275 AromaticContact CD2-CD2 3.57Å; Y269-F275 HydrophobicContact CD2-CD2 3.57Å; Y269-F275 HydrophobicContact CD2-CE2 4.39Å; Y269-F275 HydrophobicContact CD2-CG 4.43Å; Y269-F275 HydrophobicContact CE1-CD2 4.38Å; Y269-F275 AromaticContact CE2-CD2 3.59Å; Y269-F275 HydrophobicContact CE2-CD2 3.59Å; Y269-F275 HydrophobicContact CE2-CE2 4.05Å; Y269-F275 HydrophobicContact CG-CB 3.99Å; Y269-F275 AromaticContact CG-CD2 3.98Å; Y269-F275 HydrophobicContact CG-CD2 3.98Å; Y269-A279 WeakPolarHBondContact CD1-O 3.43Å; Y269-E280 HydrophobicContact CE1-CB 4.25Å
270	K	94.4	Very high	95.7	Very high	137 Å²	137	55.6 Å²	55.6	60%	0.596	31%	0.307	S	S	*	.	S	Bend	trans	-68.1	-27.5	-175.8	-66.9	178.7	-176.2	170.9	0	113	N252 D274 S281	N252-K270 CarbonylContact C-O 3.54Å; K270-D274 WeakPolarHBondContact CB-OD2 3.44Å; K270-S281 WeakPolarHBondContact CE-OG 3.22Å; K270-S281 VanDerWaalsContact CG-OG 3.28Å; K270-S281 WeakPolarHBondContact CG-OG 3.37Å
271	S	92.6	Very high	95.6	Very high	33 Å²	33	54.9 Å²	54.9	23%	0.231	31%	0.311	C	S	.	.	S	Bend	trans	-148.9	166.2	-177.1	69.5	0	0	0	0	111.5	N252 Y269 A273 D274 F275	N252-S271 VanDerWaalsContact O-CA 3.32Å; N252-S271 WeakPolarHBondContact O-CA 3.08Å; Y269-S271 VanDerWaalsContact C-N 3.25Å; Y269-S271 PolarHBondContact O-N 3.23Å; S271-A273 PolarHBondContact O-N 3.38Å; S271-A273 PolarHBondContact OG-N 3.46Å; S271-D274 PolarHBondContact N-OD2 3.48Å; S271-D274 PolarHBondContact O-N 3.01Å; S271-D274 PolarHBondContact OG-N 3.17Å; S271-D274 VanDerWaalsContact OG-N 3.09Å; S271-D274 PolarHBondContact OG-OD2 3.18Å; S271-F275 PolarHBondContact O-N 3.34Å
272	M	92.2	Very high	95.6	Very high	57 Å²	57	60 Å²	60	28%	0.281	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-34.8	170.2	-168.2	62.4	71.7	0	0	112.2	V231 W241 T243 V254 F275 V276	V231-M272 HydrophobicContact CG1-CG 4.43Å; V231-M272 HydrophobicContact CG1-SD 3.58Å; V231-M272 VanDerWaalsContact CG1-SD 3.58Å; W241-M272 HydrophobicContact CH2-CE 4.48Å; W241-M272 HydrophobicContact CZ3-CE 3.93Å; W241-M272 HydrophobicContact CZ3-SD 4.05Å; T243-M272 HydrophobicContact CG2-CE 4.46Å; V254-M272 HydrophobicContact CG2-CE 4.08Å; V254-M272 HydrophobicContact CG2-SD 4.14Å; M272-F275 WeakPolarHBondContact O-CB 3.23Å; M272-F275 PolarHBondContact O-N 3.26Å; M272-F275 HydrophobicContact SD-CD1 3.93Å; M272-V276 VanDerWaalsContact O-CG2 3.3Å; M272-V276 WeakPolarHBondContact O-CG2 3.26Å; M272-V276 PolarHBondContact O-N 2.89Å
273	A	93.6	Very high	95.9	Very high	69 Å²	69	58.2 Å²	58.2	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-66	-42.6	177.3	0	0	0	0	0	111.7	S271 F275 V276 S277	S271-A273 PolarHBondContact O-N 3.38Å; S271-A273 PolarHBondContact OG-N 3.46Å; A273-F275 VanDerWaalsContact C-N 3.31Å; A273-V276 PolarHBondContact O-N 3.22Å; A273-S277 PolarHBondContact O-N 3.44Å; A273-S277 PolarHBondContact O-OG 3.33Å
274	D	96.1	Very high	96.1	Very high	49 Å²	49	57.2 Å²	57.2	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-65.7	-37	174.9	-61.9	-39.3	0	0	0	111.4	Y269 K270 S271 S277 G278 A279	Y269-D274 WeakPolarHBondContact CD1-O 3.46Å; K270-D274 WeakPolarHBondContact CB-OD2 3.44Å; S271-D274 PolarHBondContact N-OD2 3.48Å; S271-D274 PolarHBondContact O-N 3.01Å; S271-D274 PolarHBondContact OG-N 3.17Å; S271-D274 VanDerWaalsContact OG-N 3.09Å; S271-D274 PolarHBondContact OG-OD2 3.18Å; D274-S277 WeakPolarHBondContact CA-OG 3.39Å; D274-S277 PolarHBondContact O-OG 3.35Å; D274-G278 CarbonylContact O-C 3.49Å; D274-G278 WeakPolarHBondContact O-CA 3.25Å; D274-G278 PolarHBondContact O-N 3.42Å; D274-A279 HydrophobicContact CB-CB 4.11Å; D274-A279 PolarHBondContact O-N 3.08Å
275	F	97	Very high	96.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-49.1	172.8	178.3	-118.4	0	0	0	111.3	V231 K232 W241 V254 Y256 Y269 S271 M272 A273 G278 Q461	V231-F275 HydrophobicContact CG1-CD1 3.88Å; V231-F275 HydrophobicContact CG1-CE1 3.93Å; K232-F275 HydrophobicContact CB-CD1 4.36Å; K232-F275 HydrophobicContact CB-CE1 3.66Å; K232-F275 HydrophobicContact CB-CZ 3.91Å; K232-F275 HydrophobicContact CD-CD1 4.31Å; K232-F275 HydrophobicContact CD-CD2 4.03Å; K232-F275 HydrophobicContact CD-CE1 3.89Å; K232-F275 HydrophobicContact CD-CE2 3.57Å; K232-F275 HydrophobicContact CD-CG 4.38Å; K232-F275 HydrophobicContact CD-CZ 3.48Å; K232-F275 VanDerWaalsContact CD-CZ 3.48Å; K232-F275 VanDerWaalsContact CD-O 3.3Å; K232-F275 WeakPolarHBondContact CD-O 3.31Å; K232-F275 VanDerWaalsContact CE-O 3.28Å; K232-F275 WeakPolarHBondContact CE-O 3.44Å; K232-F275 HydrophobicContact CG-CE1 4.41Å; K232-F275 HydrophobicContact CG-CZ 4.31Å; K232-F275 PolarHBondContact NZ-O 3.34Å; W241-F275 HydrophobicContact CD2-CE1 4.43Å; W241-F275 HydrophobicContact CE3-CD1 4.31Å; W241-F275 AromaticContact CE3-CE1 3.69Å; W241-F275 HydrophobicContact CE3-CE1 3.69Å; W241-F275 HydrophobicContact CE3-CZ 4.11Å; W241-F275 HydrophobicContact CZ3-CD1 4.27Å; W241-F275 AromaticContact CZ3-CE1 3.89Å; W241-F275 HydrophobicContact CZ3-CE1 3.89Å; V254-F275 HydrophobicContact CB-CB 4.12Å; V254-F275 HydrophobicContact CB-CG 4.27Å; V254-F275 HydrophobicContact CG1-CB 4.28Å; V254-F275 HydrophobicContact CG1-CD1 4.16Å; V254-F275 HydrophobicContact CG1-CD2 4.01Å; V254-F275 HydrophobicContact CG1-CE2 4.41Å; V254-F275 HydrophobicContact CG1-CG 3.87Å; V254-F275 HydrophobicContact CG2-CB 4.03Å; V254-F275 HydrophobicContact CG2-CG 4.43Å; Y256-F275 AromaticContact CD2-CE2 3.64Å; Y256-F275 HydrophobicContact CD2-CE2 3.64Å; Y256-F275 HydrophobicContact CD2-CZ 4.01Å; Y256-F275 HydrophobicContact CE2-CE2 4.3Å; Y256-F275 HydrophobicContact CE2-CZ 4.49Å; Y256-F275 HydrophobicContact CG-CE2 4.26Å; Y269-F275 HydrophobicContact CD1-CB 4.36Å; Y269-F275 HydrophobicContact CD1-CD2 4.37Å; Y269-F275 HydrophobicContact CD2-CB 4.36Å; Y269-F275 AromaticContact CD2-CD2 3.57Å; Y269-F275 HydrophobicContact CD2-CD2 3.57Å; Y269-F275 HydrophobicContact CD2-CE2 4.39Å; Y269-F275 HydrophobicContact CD2-CG 4.43Å; Y269-F275 HydrophobicContact CE1-CD2 4.38Å; Y269-F275 AromaticContact CE2-CD2 3.59Å; Y269-F275 HydrophobicContact CE2-CD2 3.59Å; Y269-F275 HydrophobicContact CE2-CE2 4.05Å; Y269-F275 HydrophobicContact CG-CB 3.99Å; Y269-F275 AromaticContact CG-CD2 3.98Å; Y269-F275 HydrophobicContact CG-CD2 3.98Å; S271-F275 PolarHBondContact O-N 3.34Å; M272-F275 WeakPolarHBondContact O-CB 3.23Å; M272-F275 PolarHBondContact O-N 3.26Å; M272-F275 HydrophobicContact SD-CD1 3.93Å; A273-F275 VanDerWaalsContact C-N 3.31Å; F275-G278 PolarHBondContact O-N 3.43Å; F275-Q461 HydrophobicContact CE1-CB 4.12Å; F275-Q461 HydrophobicContact CE1-CG 4.36Å; F275-Q461 HydrophobicContact CZ-CB 4.13Å; F275-Q461 HydrophobicContact CZ-CG 3.85Å
276	V	95.8	Very high	96.1	Very high	77 Å²	77	54.7 Å²	54.7	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-60.5	-48.5	178.4	172.8	0	0	0	0	111.2	V231 K232 M272 A273 G278	V231-V276 HydrophobicContact CG1-CG2 3.89Å; K232-V276 PolarHBondContact NZ-O 2.83Å; M272-V276 VanDerWaalsContact O-CG2 3.3Å; M272-V276 WeakPolarHBondContact O-CG2 3.26Å; M272-V276 PolarHBondContact O-N 2.89Å; A273-V276 PolarHBondContact O-N 3.22Å; V276-G278 VanDerWaalsContact C-N 3.26Å; V276-G278 PolarHBondContact O-N 3.26Å
277	S	95.7	Very high	96	Very high	86 Å²	86	58.1 Å²	58.1	60%	0.601	33%	0.329	S	S	*	.	H	α-helix	trans	-70.6	-18.9	-180	68.4	0	0	0	0	113.8	A273 D274	A273-S277 PolarHBondContact O-N 3.44Å; A273-S277 PolarHBondContact O-OG 3.33Å; D274-S277 WeakPolarHBondContact CA-OG 3.39Å; D274-S277 PolarHBondContact O-OG 3.35Å
278	G	94.4	Very high	96	Very high	37 Å²	37	56.4 Å²	56.4	38%	0.381	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	16.9	-177	0	0	0	0	0	114	D274 F275 V276 E280	D274-G278 CarbonylContact O-C 3.49Å; D274-G278 WeakPolarHBondContact O-CA 3.25Å; D274-G278 PolarHBondContact O-N 3.42Å; F275-G278 PolarHBondContact O-N 3.43Å; V276-G278 VanDerWaalsContact C-N 3.26Å; V276-G278 PolarHBondContact O-N 3.26Å; G278-E280 PolarHBondContact O-N 2.89Å
279	A	95.8	Very high	96	Very high	48 Å²	48	59.8 Å²	59.8	40%	0.397	34%	0.338	S	S	.	.			trans	-76.2	85	176.5	0	0	0	0	0	111	Y269 D274 S281	Y269-A279 WeakPolarHBondContact CD1-O 3.43Å; D274-A279 HydrophobicContact CB-CB 4.11Å; D274-A279 PolarHBondContact O-N 3.08Å; A279-S281 PolarHBondContact O-N 3.47Å
280	E	95.9	Very high	96	Very high	89 Å²	89	59.5 Å²	59.5	42%	0.416	34%	0.337	S	S	.	.			trans	-61.9	131.8	177.2	-170.5	-176.2	123.6	0	0	111.4	R267 Y269 G278 T283	R267-E280 VanDerWaalsContact CD-OE2 3.3Å; R267-E280 WeakPolarHBondContact CD-OE2 3.27Å; R267-E280 IonicContact NE-OE2 3.65Å; Y269-E280 HydrophobicContact CE1-CB 4.25Å; G278-E280 PolarHBondContact O-N 2.89Å; E280-T283 VanDerWaalsContact CD-OG1 3.29Å; E280-T283 WeakPolarHBondContact OE1-CB 3.38Å; E280-T283 PolarHBondContact OE1-OG1 2.98Å
281	S	94.9	Very high	96.2	Very high	48 Å²	48	53 Å²	53	34%	0.336	31%	0.31	S	S	.	.			trans	-91.9	-49.9	178.4	-179.5	0	0	0	0	111.9	E268 K270 A279	E268-S281 VanDerWaalsContact O-CB 3.3Å; E268-S281 WeakPolarHBondContact O-CB 3.46Å; E268-S281 PolarHBondContact O-N 3.04Å; K270-S281 WeakPolarHBondContact CE-OG 3.22Å; K270-S281 VanDerWaalsContact CG-OG 3.28Å; K270-S281 WeakPolarHBondContact CG-OG 3.37Å; A279-S281 PolarHBondContact O-N 3.47Å
282	R	95.9	Very high	96.4	Very high	124 Å²	124	51.5 Å²	51.5	47%	0.468	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	147	-174.3	-166.4	171.2	-175.5	-157.8	6.7	110.2	E268 Y284	E268-R282 HydrophobicContact CB-CB 4.34Å; E268-R282 PolarHBondContact N-O 2.76Å; E268-R282 PolarHBondContact O-N 3.09Å; R282-Y284 HydrophobicContact CB-CE2 4.42Å; R282-Y284 HydrophobicContact CG-CE2 4.3Å; R282-Y284 PolarHBondContact NH1-OH 2.98Å
283	T	97.4	Very high	96.7	Very high	61 Å²	61	48.8 Å²	48.8	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135	170.1	-85.8	0	0	0	0	110.1	I265 V266 E280	I265-T283 HydrophobicContact CG2-CG2 3.59Å; V266-T283 WeakPolarHBondContact O-CA 3.4Å; E280-T283 VanDerWaalsContact CD-OG1 3.29Å; E280-T283 WeakPolarHBondContact OE1-CB 3.38Å; E280-T283 PolarHBondContact OE1-OG1 2.98Å
284	Y	97.9	Very high	96.6	Very high	14 Å²	14	45.6 Å²	45.6	6%	0.055	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.2	173.3	-56.9	-91.9	0	0	0	110.1	I265 V266 E268 R282 Y315 F317	I265-Y284 WeakPolarHBondContact CA-O 3.22Å; V266-Y284 PolarHBondContact N-O 2.86Å; V266-Y284 PolarHBondContact O-N 2.84Å; E268-Y284 HydrophobicContact CB-CE2 3.84Å; E268-Y284 VanDerWaalsContact OE2-CE2 3.29Å; E268-Y284 WeakPolarHBondContact OE2-CE2 3.46Å; E268-Y284 PolarHBondContact OE2-OH 2.82Å; R282-Y284 HydrophobicContact CB-CE2 4.42Å; R282-Y284 HydrophobicContact CG-CE2 4.3Å; R282-Y284 PolarHBondContact NH1-OH 2.98Å; Y284-Y315 HydrophobicContact CD1-CE1 4.26Å; Y284-F317 AromaticContact CD1-CD1 3.84Å; Y284-F317 HydrophobicContact CD1-CD1 3.84Å; Y284-F317 AromaticContact CD2-CD1 3.75Å; Y284-F317 HydrophobicContact CD2-CD1 3.75Å; Y284-F317 AromaticContact CD2-CE1 3.92Å; Y284-F317 HydrophobicContact CD2-CE1 3.92Å; Y284-F317 HydrophobicContact CE1-CB 4.02Å; Y284-F317 AromaticContact CE1-CD1 3.77Å; Y284-F317 HydrophobicContact CE1-CD1 3.77Å; Y284-F317 HydrophobicContact CE1-CG 4.38Å; Y284-F317 WeakPolarHBondContact CE1-O 3.19Å; Y284-F317 AromaticContact CE2-CD1 3.68Å; Y284-F317 HydrophobicContact CE2-CD1 3.68Å; Y284-F317 HydrophobicContact CE2-CE1 4.16Å; Y284-F317 HydrophobicContact CE2-CG 4.46Å; Y284-F317 AromaticContact CG-CD1 3.83Å; Y284-F317 HydrophobicContact CG-CD1 3.83Å; Y284-F317 HydrophobicContact CG-CE1 4.14Å; Y284-F317 AromaticContact CZ-CD1 3.69Å
285	N	97.8	Very high	96.6	Very high	101 Å²	101	43.3 Å²	43.3	54%	0.54	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103.2	173.6	-172.5	2.7	0	0	0	108.6	K264	K264-N285 VanDerWaalsContact CD-OD1 3.31Å; K264-N285 WeakPolarHBondContact CD-OD1 3.4Å; K264-N285 WeakPolarHBondContact CE-OD1 3.25Å; K264-N285 WeakPolarHBondContact CG-OD1 3.47Å; K264-N285 PolarHBondContact NZ-OD1 3.49Å
286	L	98.1	Very high	96.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.25	C	S	.	.			trans	-67.5	148.9	-177.3	-57.9	178.2	0	0	0	110.7	K264 V266 F288 W290 L302 F304 Y315	K264-L286 HydrophobicContact CB-CB 4.22Å; K264-L286 WeakPolarHBondContact CD-O 3.37Å; K264-L286 WeakPolarHBondContact O-CB 3.47Å; K264-L286 WeakPolarHBondContact O-CG 3.44Å; K264-L286 PolarHBondContact O-N 3.41Å; V266-L286 HydrophobicContact CG2-CD1 3.76Å; V266-L286 HydrophobicContact CG2-CD2 4.14Å; V266-L286 HydrophobicContact CG2-CG 3.93Å; L286-F288 WeakPolarHBondContact CB-O 3.31Å; L286-F288 PolarHBondContact O-N 2.81Å; L286-W290 HydrophobicContact CD1-CE3 3.78Å; L286-W290 HydrophobicContact CD1-CZ3 3.91Å; L286-L302 HydrophobicContact CD1-CD2 3.8Å; L286-L302 HydrophobicContact CD2-CD2 4.18Å; L286-F304 HydrophobicContact CD1-CD1 4.45Å; L286-F304 HydrophobicContact CD1-CE1 4.05Å; L286-F304 HydrophobicContact CD1-CZ 4.08Å; L286-Y315 HydrophobicContact CD2-CD1 3.58Å; L286-Y315 HydrophobicContact CD2-CD2 3.96Å; L286-Y315 HydrophobicContact CD2-CE1 3.72Å; L286-Y315 HydrophobicContact CD2-CE2 4.08Å; L286-Y315 HydrophobicContact CD2-CG 3.7Å
287	P	97.3	Very high	96.8	Very high	71 Å²	71	40.3 Å²	40.3	46%	0.461	23%	0.228	S	C	.	.	S	Bend	trans	-68.6	-21.4	177.2	24.7	-30.6	0	0	0	112.9	V322	P287-V322 HydrophobicContact CG-CG2 3.51Å
288	F	97.8	Very high	96.7	Very high	62 Å²	62	37.2 Å²	37.2	27%	0.272	20%	0.203	S	C	.	.	S	Bend	trans	-129.8	149.1	-179.4	-53.4	-72	0	0	0	110.9	L286 F304 K306 I313 V322	L286-F288 WeakPolarHBondContact CB-O 3.31Å; L286-F288 PolarHBondContact O-N 2.81Å; F288-F304 HydrophobicContact CB-CE2 4.33Å; F288-F304 HydrophobicContact CB-CZ 4.46Å; F288-K306 HydrophobicContact CB-CG 4.25Å; F288-I313 HydrophobicContact CB-CD1 4.04Å; F288-I313 HydrophobicContact CD2-CD1 3.24Å; F288-I313 HydrophobicContact CE2-CD1 3.88Å; F288-I313 HydrophobicContact CG-CD1 3.85Å; F288-V322 HydrophobicContact CE2-CG2 4.37Å
289	K	98.1	Very high	96.6	Very high	84 Å²	84	39.5 Å²	39.5	37%	0.365	21%	0.207	S	C	.	.			trans	-72.1	149.7	168.2	-68.3	170.6	168.6	-174.4	0	109.8	N262 N263 K264 Y307	N262-K289 PolarHBondContact OD1-NZ 2.82Å; N263-K289 WeakPolarHBondContact O-CA 3.28Å; K264-K289 HydrophobicContact CB-CG 4.38Å; K289-Y307 HydrophobicContact CB-CG 4.46Å; K289-Y307 WeakPolarHBondContact O-CB 3.33Å; K289-Y307 PolarHBondContact O-N 3.01Å
290	W	98	Very high	96.5	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-94.5	163.4	173.3	63.3	76.7	0	0	0	112.7	M257 D258 S259 N263 K264 I265 V266 L286 H295 F304 N305	M257-W290 HydrophobicContact CB-CH2 4Å; M257-W290 HydrophobicContact CB-CZ2 3.9Å; M257-W290 HydrophobicContact CG-CH2 4.06Å; M257-W290 HydrophobicContact CG-CZ2 4.41Å; M257-W290 HydrophobicContact CG-CZ3 4.36Å; D258-W290 WeakPolarHBondContact O-CZ2 3.21Å; S259-W290 PolarHBondContact O-NE1 3.35Å; N263-W290 HydrophobicContact CB-CH2 3.83Å; N263-W290 HydrophobicContact CB-CZ2 3.54Å; N263-W290 PolarHBondContact O-N 2.87Å; K264-W290 VanDerWaalsContact C-CZ3 3.46Å; I265-W290 WeakPolarHBondContact O-CH2 3.4Å; V266-W290 HydrophobicContact CG2-CZ3 4.22Å; L286-W290 HydrophobicContact CD1-CE3 3.78Å; L286-W290 HydrophobicContact CD1-CZ3 3.91Å; W290-H295 VanDerWaalsContact CB-CE1 3.42Å; W290-H295 WeakPolarHBondContact CB-CE1 3.25Å; W290-H295 AromaticContact CD1-CE1 3.4Å; W290-H295 VanDerWaalsContact CD1-CE1 3.4Å; W290-H295 AromaticContact CD1-NE2 3.24Å; W290-H295 AromaticContact CG-CE1 3.42Å; W290-H295 VanDerWaalsContact CG-CE1 3.42Å; W290-H295 AromaticContact CG-NE2 3.52Å; W290-H295 AromaticContact NE1-NE2 3.57Å; W290-F304 HydrophobicContact CB-CB 4.44Å; W290-F304 HydrophobicContact CB-CD2 3.71Å; W290-F304 HydrophobicContact CB-CE2 4.41Å; W290-F304 HydrophobicContact CB-CG 4.44Å; W290-N305 CarbonylContact C-O 3.53Å; W290-N305 VanDerWaalsContact CA-O 3.26Å; W290-N305 WeakPolarHBondContact CA-O 3.34Å
291	A	97.9	Very high	96.6	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	18%	0.176	C	C	.	.			trans	-115.6	136.7	165.9	0	0	0	0	0	109.5	N305 Y307 F344	A291-N305 WeakPolarHBondContact CB-OD1 3.44Å; A291-N305 PolarHBondContact N-O 3.47Å; A291-Y307 HydrophobicContact CB-CD2 4.34Å; A291-F344 HydrophobicContact CB-CB 3.8Å
292	G	97.6	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	75.8	-168.4	-179.7	0	0	0	0	0	113.7	Y260 H295 G343 F344	Y260-G292 WeakPolarHBondContact CA-O 3.33Å; Y260-G292 PolarHBondContact O-N 2.87Å; G292-H295 PolarHBondContact O-CE1 2.86Å; G292-H295 PolarHBondContact O-NE2 3.2Å; G292-G343 VanDerWaalsContact CA-O 3.29Å; G292-G343 WeakPolarHBondContact CA-O 3.35Å; G292-F344 PolarHBondContact N-O 2.85Å
293	T	97.6	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-119.7	7.4	-179	42.7	0	0	0	0	111.4	F238 G239 A240 H295 W341 S442	F238-T293 HydrophobicContact CB-CG2 4.42Å; G239-T293 WeakPolarHBondContact O-CG2 3.41Å; A240-T293 WeakPolarHBondContact CB-O 2.98Å; T293-H295 VanDerWaalsContact C-N 3.29Å; T293-H295 PolarHBondContact O-N 3.01Å; T293-H295 VanDerWaalsContact O-N 3.17Å; T293-W341 HydrophobicContact CG2-CH2 4.09Å; T293-W341 WeakPolarHBondContact OG1-CH2 3.48Å; T293-W341 WeakPolarHBondContact OG1-CZ2 3.38Å; T293-S442 VanDerWaalsContact CB-O 3.3Å; T293-S442 WeakPolarHBondContact CB-O 3.18Å; T293-S442 PolarHBondContact OG1-O 3.49Å
294	N	92.6	Very high	97	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.121	C	C	.	.			trans	-96.8	52.9	-167.7	-53.5	-18	0	0	0	111.4	S345 I347 D348 L349	N294-S345 WeakPolarHBondContact ND2-CA 3.32Å; N294-S345 WeakPolarHBondContact ND2-CB 3.34Å; N294-S345 PolarHBondContact ND2-O 2.79Å; N294-I347 PolarHBondContact ND2-O 3.5Å; N294-D348 VanDerWaalsContact CB-CA 3.49Å; N294-D348 HydrophobicContact CB-CB 3.83Å; N294-D348 WeakPolarHBondContact CB-OD1 3.15Å; N294-L349 PolarHBondContact O-N 3.34Å
295	H	95.4	Very high	97	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.119	C	C	.	.			trans	-95	154.5	-179.9	-42.5	-58	0	0	0	108.9	M242 M257 W290 G292 T293 L302 Y303 F304	M242-H295 HydrophobicContact CE-CB 4.33Å; M242-H295 WeakPolarHBondContact CE-O 3.46Å; M242-H295 VanDerWaalsContact SD-O 3.39Å; M257-H295 HydrophobicContact SD-CB 4.18Å; W290-H295 VanDerWaalsContact CB-CE1 3.42Å; W290-H295 WeakPolarHBondContact CB-CE1 3.25Å; W290-H295 AromaticContact CD1-CE1 3.4Å; W290-H295 VanDerWaalsContact CD1-CE1 3.4Å; W290-H295 AromaticContact CD1-NE2 3.24Å; W290-H295 AromaticContact CG-CE1 3.42Å; W290-H295 VanDerWaalsContact CG-CE1 3.42Å; W290-H295 AromaticContact CG-NE2 3.52Å; W290-H295 AromaticContact NE1-NE2 3.57Å; G292-H295 PolarHBondContact O-CE1 2.86Å; G292-H295 PolarHBondContact O-NE2 3.2Å; T293-H295 VanDerWaalsContact C-N 3.29Å; T293-H295 PolarHBondContact O-N 3.01Å; T293-H295 VanDerWaalsContact O-N 3.17Å; H295-L302 HydrophobicContact CB-CD1 4.02Å; H295-Y303 WeakPolarHBondContact CA-O 3.43Å; H295-F304 HydrophobicContact CB-CB 4.33Å; H295-F304 WeakPolarHBondContact ND1-CB 3.21Å
296	V	97.9	Very high	97	Very high	12 Å²	12	20.2 Å²	20.2	7%	0.073	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.1	172.3	64.4	0	0	0	0	111.1	M242 Y303 L349 A351 L356	M242-V296 VanDerWaalsContact SD-CA 3.54Å; V296-Y303 HydrophobicContact CG1-CD2 4.24Å; V296-Y303 HydrophobicContact CG1-CG 4.37Å; V296-Y303 PolarHBondContact N-O 3Å; V296-Y303 PolarHBondContact O-N 3.32Å; V296-L349 WeakPolarHBondContact CB-O 3.3Å; V296-L349 HydrophobicContact CG1-CB 3.86Å; V296-A351 HydrophobicContact CG2-CB 3.95Å; V296-L356 HydrophobicContact CG1-CD1 3.6Å
297	V	97.8	Very high	97	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.1	166.4	177.6	0	0	0	0	108.1	M242 D244 P245 W255 S301 L302 F317	M242-V297 HydrophobicContact CG-CB 4.1Å; M242-V297 HydrophobicContact CG-CG2 3.85Å; M242-V297 HydrophobicContact SD-CB 4.13Å; M242-V297 HydrophobicContact SD-CG2 3.75Å; M242-V297 PolarHBondContact SD-N 3.42Å; D244-V297 HydrophobicContact CB-CG1 3.87Å; P245-V297 WeakPolarHBondContact CD-O 3.38Å; W255-V297 HydrophobicContact CB-CG2 4.06Å; W255-V297 HydrophobicContact CD2-CB 4.42Å; W255-V297 HydrophobicContact CD2-CG1 4.07Å; W255-V297 HydrophobicContact CD2-CG2 3.99Å; W255-V297 HydrophobicContact CE3-CB 4.29Å; W255-V297 HydrophobicContact CE3-CG1 4Å; W255-V297 HydrophobicContact CE3-CG2 4.27Å; W255-V297 HydrophobicContact CG-CG2 3.91Å; W255-V297 HydrophobicContact CH2-CG1 4.07Å; W255-V297 HydrophobicContact CZ2-CG1 4.14Å; W255-V297 HydrophobicContact CZ3-CG1 4.03Å; V297-S301 CarbonylContact C-O 3.59Å; V297-S301 WeakPolarHBondContact CA-O 3.47Å; V297-L302 HydrophobicContact CG2-CD1 3.79Å; V297-F317 HydrophobicContact CG1-CE2 3.9Å; V297-F317 HydrophobicContact CG2-CE2 3.8Å; V297-F317 HydrophobicContact CG2-CZ 4.1Å
298	Y	95.4	Very high	97	Very high	21 Å²	21	24.3 Å²	24.3	8%	0.082	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	122.9	-177.6	-168.6	-105.5	0	0	0	110.2	P245 L246 G300 S301 Y303 A351	P245-Y298 HydrophobicContact CG-CD2 3.74Å; P245-Y298 HydrophobicContact CG-CE2 4.05Å; L246-Y298 HydrophobicContact CD1-CD1 4.44Å; L246-Y298 HydrophobicContact CD1-CD2 4.46Å; L246-Y298 HydrophobicContact CD1-CE1 3.9Å; L246-Y298 HydrophobicContact CD1-CE2 3.94Å; L246-Y298 HydrophobicContact CD2-CE2 4.32Å; L246-Y298 HydrophobicContact CG-CD2 4.3Å; L246-Y298 HydrophobicContact CG-CE2 3.83Å; Y298-G300 PolarHBondContact O-N 3.35Å; Y298-S301 PolarHBondContact N-O 3.39Å; Y298-S301 PolarHBondContact O-N 2.95Å; Y298-Y303 WeakPolarHBondContact O-CE2 3.41Å; Y298-A351 HydrophobicContact CD2-CB 3.39Å; Y298-A351 HydrophobicContact CE2-CB 3.67Å; Y298-A351 HydrophobicContact CG-CB 4.11Å
299	N	92.1	Very high	97	Very high	85 Å²	85	22 Å²	22	46%	0.455	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	49.5	179.3	-156.2	15.1	0	0	0	114	D244 L246 S301	D244-N299 PolarHBondContact OD1-N 2.65Å; D244-N299 WeakPolarHBondContact OD2-CA 3.36Å; D244-N299 PolarHBondContact OD2-N 3.41Å; D244-N299 VanDerWaalsContact OD2-N 3.11Å; L246-N299 HydrophobicContact CD1-CB 3.91Å; N299-S301 PolarHBondContact O-N 2.78Å; N299-S301 VanDerWaalsContact O-N 3.17Å
300	G	93.5	Very high	97	Very high	12 Å²	12	19.5 Å²	19.5	12%	0.124	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	8.6	178.1	0	0	0	0	0	115.2	D244 Y298 F317	D244-G300 PolarHBondContact OD2-N 3.13Å; Y298-G300 PolarHBondContact O-N 3.35Å; G300-F317 WeakPolarHBondContact O-CD2 3.4Å; G300-F317 PolarHBondContact O-N 3.1Å
301	S	97.9	Very high	97.1	Very high	7 Å²	7	21.6 Å²	21.6	5%	0.049	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.2	178.3	-58.9	0	0	0	0	111.7	V297 Y298 N299 Y303 Y315	V297-S301 CarbonylContact C-O 3.59Å; V297-S301 WeakPolarHBondContact CA-O 3.47Å; Y298-S301 PolarHBondContact N-O 3.39Å; Y298-S301 PolarHBondContact O-N 2.95Å; N299-S301 PolarHBondContact O-N 2.78Å; N299-S301 VanDerWaalsContact O-N 3.17Å; S301-Y303 WeakPolarHBondContact O-CE2 3.31Å; S301-Y315 CarbonylContact C-O 3.56Å; S301-Y315 WeakPolarHBondContact CA-O 3.5Å; S301-Y315 WeakPolarHBondContact CB-O 3.37Å
302	L	98.6	Very high	97.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132	168.7	-178.3	67.5	0	0	0	110.1	M257 V266 L286 H295 V297 F304 K314 Y315 F317	M257-L302 HydrophobicContact SD-CD1 3.86Å; M257-L302 HydrophobicContact SD-CD2 4.35Å; V266-L302 HydrophobicContact CG2-CD2 3.88Å; L286-L302 HydrophobicContact CD1-CD2 3.8Å; L286-L302 HydrophobicContact CD2-CD2 4.18Å; H295-L302 HydrophobicContact CB-CD1 4.02Å; V297-L302 HydrophobicContact CG2-CD1 3.79Å; L302-F304 HydrophobicContact CD2-CD1 3.94Å; L302-F304 HydrophobicContact CD2-CE1 4.46Å; L302-F304 HydrophobicContact CG-CD1 4.02Å; L302-K314 WeakPolarHBondContact O-CA 3.41Å; L302-Y315 PolarHBondContact N-O 3.17Å; L302-Y315 PolarHBondContact O-N 2.56Å; L302-F317 HydrophobicContact CB-CE1 4.35Å; L302-F317 HydrophobicContact CB-CE2 3.87Å; L302-F317 HydrophobicContact CB-CZ 3.6Å; L302-F317 HydrophobicContact CD2-CZ 4.39Å; L302-F317 HydrophobicContact CG-CZ 4.39Å
303	Y	98.8	Very high	97.1	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.1	171.4	-56.3	-103.2	0	0	0	108.4	H295 V296 Y298 S301 I313 K314 L356 Q376 L379	H295-Y303 WeakPolarHBondContact CA-O 3.43Å; V296-Y303 HydrophobicContact CG1-CD2 4.24Å; V296-Y303 HydrophobicContact CG1-CG 4.37Å; V296-Y303 PolarHBondContact N-O 3Å; V296-Y303 PolarHBondContact O-N 3.32Å; Y298-Y303 WeakPolarHBondContact O-CE2 3.41Å; S301-Y303 WeakPolarHBondContact O-CE2 3.31Å; Y303-I313 VanDerWaalsContact CA-O 3.28Å; Y303-I313 WeakPolarHBondContact CA-O 3.49Å; Y303-K314 HydrophobicContact CD1-CB 4.09Å; Y303-K314 HydrophobicContact CD1-CG 4.26Å; Y303-K314 HydrophobicContact CE1-CB 3.89Å; Y303-K314 HydrophobicContact CE1-CD 3.77Å; Y303-K314 HydrophobicContact CE1-CG 3.67Å; Y303-K314 VanDerWaalsContact OH-CE 3.22Å; Y303-K314 WeakPolarHBondContact OH-CE 3.35Å; Y303-K314 PolarHBondContact OH-NZ 3.15Å; Y303-L356 HydrophobicContact CD1-CD2 3.57Å; Y303-L356 HydrophobicContact CD2-CD1 4.47Å; Y303-L356 HydrophobicContact CE1-CD2 3.54Å; Y303-L356 HydrophobicContact CG-CD1 4.4Å; Y303-L356 HydrophobicContact CG-CD2 4.11Å; Y303-Q376 PolarHBondContact OH-O 2.54Å; Y303-L379 HydrophobicContact CD1-CD2 3.61Å; Y303-L379 HydrophobicContact CE1-CD2 3.66Å
304	F	98.6	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.2	-178	67.5	-82.5	0	0	0	112.1	L286 F288 W290 H295 L302 I313	L286-F304 HydrophobicContact CD1-CD1 4.45Å; L286-F304 HydrophobicContact CD1-CE1 4.05Å; L286-F304 HydrophobicContact CD1-CZ 4.08Å; F288-F304 HydrophobicContact CB-CE2 4.33Å; F288-F304 HydrophobicContact CB-CZ 4.46Å; W290-F304 HydrophobicContact CB-CB 4.44Å; W290-F304 HydrophobicContact CB-CD2 3.71Å; W290-F304 HydrophobicContact CB-CE2 4.41Å; W290-F304 HydrophobicContact CB-CG 4.44Å; H295-F304 HydrophobicContact CB-CB 4.33Å; H295-F304 WeakPolarHBondContact ND1-CB 3.21Å; L302-F304 HydrophobicContact CD2-CD1 3.94Å; L302-F304 HydrophobicContact CD2-CE1 4.46Å; L302-F304 HydrophobicContact CG-CD1 4.02Å; F304-I313 HydrophobicContact CD1-CB 4.13Å; F304-I313 HydrophobicContact CD1-CG2 4.38Å; F304-I313 HydrophobicContact CE1-CB 3.72Å; F304-I313 HydrophobicContact CE1-CG2 3.58Å; F304-I313 HydrophobicContact CE2-CB 4.24Å; F304-I313 HydrophobicContact CE2-CD1 4.03Å; F304-I313 HydrophobicContact CE2-CG1 4.43Å; F304-I313 HydrophobicContact CZ-CB 3.79Å; F304-I313 HydrophobicContact CZ-CD1 3.88Å; F304-I313 HydrophobicContact CZ-CG1 4.29Å; F304-I313 HydrophobicContact CZ-CG2 3.74Å; F304-I313 PolarHBondContact N-O 3.03Å; F304-I313 VanDerWaalsContact N-O 3.14Å; F304-I313 PolarHBondContact O-N 3.11Å
305	N	98.5	Very high	97.5	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.1	171.3	175.8	-129.4	0	0	0	110.8	W290 A291 S309 I311 I347	W290-N305 CarbonylContact C-O 3.53Å; W290-N305 VanDerWaalsContact CA-O 3.26Å; W290-N305 WeakPolarHBondContact CA-O 3.34Å; A291-N305 WeakPolarHBondContact CB-OD1 3.44Å; A291-N305 PolarHBondContact N-O 3.47Å; N305-S309 PolarHBondContact ND2-O 3.22Å; N305-S309 PolarHBondContact OD1-O 3.08Å; N305-I311 PolarHBondContact ND2-O 3.14Å; N305-I311 VanDerWaalsContact ND2-O 3.1Å; N305-I347 HydrophobicContact CB-CB 4.32Å
306	K	98.3	Very high	97.6	Very high	58 Å²	58	23 Å²	23	25%	0.252	12%	0.116	S	C	.	.	B	Isolated β-bridge	trans	-69.2	130.8	176.3	178.6	-172.8	-173.7	174.8	0	110.4	F288 Q308 S309 I311 I313	F288-K306 HydrophobicContact CB-CG 4.25Å; K306-Q308 PolarHBondContact O-N 3.36Å; K306-S309 WeakPolarHBondContact CB-OG 3.4Å; K306-S309 PolarHBondContact O-N 2.79Å; K306-S309 VanDerWaalsContact O-N 3.16Å; K306-S309 PolarHBondContact O-OG 3.49Å; K306-I311 HydrophobicContact CB-CB 4.31Å; K306-I311 HydrophobicContact CD-CB 4.43Å; K306-I311 PolarHBondContact N-O 3.19Å; K306-I313 HydrophobicContact CB-CD1 3.8Å; K306-I313 HydrophobicContact CB-CG1 4.12Å; K306-I313 HydrophobicContact CD-CD1 4.15Å; K306-I313 HydrophobicContact CG-CD1 4.12Å
307	Y	97.6	Very high	97.5	Very high	55 Å²	55	22.7 Å²	22.7	22%	0.216	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	135.1	-179.8	-176.6	-107.5	0	0	0	112.9	T261 K289 A291 S309 F344	T261-Y307 VanDerWaalsContact OG1-CE2 3.23Å; T261-Y307 WeakPolarHBondContact OG1-CE2 3.46Å; K289-Y307 HydrophobicContact CB-CG 4.46Å; K289-Y307 WeakPolarHBondContact O-CB 3.33Å; K289-Y307 PolarHBondContact O-N 3.01Å; A291-Y307 HydrophobicContact CB-CD2 4.34Å; Y307-S309 VanDerWaalsContact C-N 3.26Å; Y307-S309 PolarHBondContact O-N 2.94Å; Y307-F344 HydrophobicContact CE2-CD2 4.3Å; Y307-F344 HydrophobicContact CE2-CE2 4.07Å
308	Q	97.1	Very high	97.3	Very high	103 Å²	103	28.8 Å²	28.8	48%	0.481	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	34.6	-179.6	-78.7	179.6	-28.7	0	0	114.5	K306 F333 H334	K306-Q308 PolarHBondContact O-N 3.36Å; Q308-F333 WeakPolarHBondContact O-CE2 3.47Å; Q308-H334 WeakPolarHBondContact CG-CE1 3.22Å; Q308-H334 WeakPolarHBondContact CG-ND1 3.29Å; Q308-H334 PolarHBondContact NE2-CE1 2.89Å; Q308-H334 VanDerWaalsContact NE2-CE1 3.31Å; Q308-H334 PolarHBondContact NE2-NE2 3.16Å
309	S	98.2	Very high	97.3	Very high	14 Å²	14	30.6 Å²	30.6	10%	0.098	16%	0.162	C	C	.	.	S	Bend	trans	-152.8	166.8	175.5	72.3	0	0	0	0	111.9	N305 K306 Y307 I311 F333	N305-S309 PolarHBondContact ND2-O 3.22Å; N305-S309 PolarHBondContact OD1-O 3.08Å; K306-S309 WeakPolarHBondContact CB-OG 3.4Å; K306-S309 PolarHBondContact O-N 2.79Å; K306-S309 VanDerWaalsContact O-N 3.16Å; K306-S309 PolarHBondContact O-OG 3.49Å; Y307-S309 VanDerWaalsContact C-N 3.26Å; Y307-S309 PolarHBondContact O-N 2.94Å; S309-I311 VanDerWaalsContact C-N 3.28Å; S309-I311 PolarHBondContact OG-N 3.34Å; S309-F333 VanDerWaalsContact C-CG 3.46Å; S309-F333 VanDerWaalsContact CA-CD2 3.47Å; S309-F333 WeakPolarHBondContact O-CB 3.25Å
310	N	98.2	Very high	97.5	Very high	31 Å²	31	28.1 Å²	28.1	17%	0.166	16%	0.156	C	C	.	.	S	Bend	trans	-91.4	21.7	166.6	62.1	-23.5	0	0	0	112.8	S327 L328 A331 F333 I347	N310-S327 PolarHBondContact ND2-OG 3.22Å; N310-S327 PolarHBondContact OD1-OG 2.92Å; N310-L328 PolarHBondContact ND2-O 3Å; N310-L328 PolarHBondContact O-N 2.78Å; N310-A331 HydrophobicContact CB-CB 4.17Å; N310-F333 HydrophobicContact CB-CB 4.46Å; N310-F333 HydrophobicContact CB-CD1 3.81Å; N310-F333 HydrophobicContact CB-CE1 4.46Å; N310-F333 HydrophobicContact CB-CG 4.38Å; N310-I347 HydrophobicContact CB-CD1 4.08Å
311	I	98.7	Very high	97.7	Very high	45 Å²	45	36.3 Å²	36.3	23%	0.231	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.6	-177.5	-62.8	170.5	0	0	0	109.8	N305 K306 S309 I313 Q325 R326	N305-I311 PolarHBondContact ND2-O 3.14Å; N305-I311 VanDerWaalsContact ND2-O 3.1Å; K306-I311 HydrophobicContact CB-CB 4.31Å; K306-I311 HydrophobicContact CD-CB 4.43Å; K306-I311 PolarHBondContact N-O 3.19Å; S309-I311 VanDerWaalsContact C-N 3.28Å; S309-I311 PolarHBondContact OG-N 3.34Å; I311-I313 HydrophobicContact CG2-CG1 4.31Å; I311-Q325 HydrophobicContact CG2-CB 4.17Å; I311-R326 CarbonylContact C-O 3.56Å; I311-R326 WeakPolarHBondContact CA-O 3.31Å
312	I	98.6	Very high	97.7	Very high	3 Å²	3	38 Å²	38	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138	169.8	-58.8	166.5	0	0	0	108.3	Q325 R326 L328 L349 A358 L374 L379	I312-Q325 VanDerWaalsContact O-CA 3.31Å; I312-Q325 WeakPolarHBondContact O-CA 2.97Å; I312-R326 PolarHBondContact N-O 2.89Å; I312-R326 PolarHBondContact O-N 3.48Å; I312-L328 HydrophobicContact CD1-CB 4.32Å; I312-L328 HydrophobicContact CD1-CD1 4.17Å; I312-L328 HydrophobicContact CD1-CD2 4.25Å; I312-L349 HydrophobicContact CD1-CD2 3.8Å; I312-L349 HydrophobicContact CG1-CD2 4.13Å; I312-L349 HydrophobicContact CG2-CD1 3.8Å; I312-L349 HydrophobicContact CG2-CD2 4.21Å; I312-A358 HydrophobicContact CD1-CB 4.36Å; I312-L374 HydrophobicContact CD1-CD1 3.83Å; I312-L379 HydrophobicContact CB-CD1 4.39Å; I312-L379 HydrophobicContact CG2-CD1 4.07Å; I312-L379 HydrophobicContact CG2-CD2 4.21Å
313	I	98.6	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.7	178.8	-58.4	-165.8	0	0	0	109.7	F288 Y303 F304 K306 I311 V322 Q325	F288-I313 HydrophobicContact CB-CD1 4.04Å; F288-I313 HydrophobicContact CD2-CD1 3.24Å; F288-I313 HydrophobicContact CE2-CD1 3.88Å; F288-I313 HydrophobicContact CG-CD1 3.85Å; Y303-I313 VanDerWaalsContact CA-O 3.28Å; Y303-I313 WeakPolarHBondContact CA-O 3.49Å; F304-I313 HydrophobicContact CD1-CB 4.13Å; F304-I313 HydrophobicContact CD1-CG2 4.38Å; F304-I313 HydrophobicContact CE1-CB 3.72Å; F304-I313 HydrophobicContact CE1-CG2 3.58Å; F304-I313 HydrophobicContact CE2-CB 4.24Å; F304-I313 HydrophobicContact CE2-CD1 4.03Å; F304-I313 HydrophobicContact CE2-CG1 4.43Å; F304-I313 HydrophobicContact CZ-CB 3.79Å; F304-I313 HydrophobicContact CZ-CD1 3.88Å; F304-I313 HydrophobicContact CZ-CG1 4.29Å; F304-I313 HydrophobicContact CZ-CG2 3.74Å; F304-I313 PolarHBondContact N-O 3.03Å; F304-I313 VanDerWaalsContact N-O 3.14Å; F304-I313 PolarHBondContact O-N 3.11Å; K306-I313 HydrophobicContact CB-CD1 3.8Å; K306-I313 HydrophobicContact CB-CG1 4.12Å; K306-I313 HydrophobicContact CD-CD1 4.15Å; K306-I313 HydrophobicContact CG-CD1 4.12Å; I311-I313 HydrophobicContact CG2-CG1 4.31Å; I313-V322 HydrophobicContact CG2-CB 4.43Å; I313-V322 HydrophobicContact CG2-CG1 3.82Å; I313-V322 HydrophobicContact CG2-CG2 3.76Å; I313-Q325 HydrophobicContact CD1-CG 4.43Å; I313-Q325 HydrophobicContact CG1-CG 4.09Å; I313-Q325 HydrophobicContact CG2-CG 4.36Å
314	K	98.6	Very high	97.6	Very high	10 Å²	10	43.4 Å²	43.4	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.6	165.6	-180	179.7	-177.8	167.9	0	109.4	L302 Y303 V322 L323 A324 Q376 D377 L379	L302-K314 WeakPolarHBondContact O-CA 3.41Å; Y303-K314 HydrophobicContact CD1-CB 4.09Å; Y303-K314 HydrophobicContact CD1-CG 4.26Å; Y303-K314 HydrophobicContact CE1-CB 3.89Å; Y303-K314 HydrophobicContact CE1-CD 3.77Å; Y303-K314 HydrophobicContact CE1-CG 3.67Å; Y303-K314 VanDerWaalsContact OH-CE 3.22Å; Y303-K314 WeakPolarHBondContact OH-CE 3.35Å; Y303-K314 PolarHBondContact OH-NZ 3.15Å; K314-V322 CarbonylContact O-C 3.56Å; K314-V322 WeakPolarHBondContact O-CA 3.19Å; K314-L323 HydrophobicContact CD-CB 4.19Å; K314-L323 HydrophobicContact CG-CB 4.26Å; K314-L323 PolarHBondContact O-N 2.96Å; K314-A324 HydrophobicContact CB-CB 4.11Å; K314-A324 PolarHBondContact N-O 3.22Å; K314-Q376 WeakPolarHBondContact CD-O 3.3Å; K314-Q376 WeakPolarHBondContact CE-O 3.12Å; K314-Q376 PolarHBondContact NZ-O 2.97Å; K314-D377 IonicContact NZ-OD1 2.82Å; K314-D377 PolarHBondContact NZ-OD1 2.94Å; K314-L379 HydrophobicContact CB-CD1 4.2Å; K314-L379 HydrophobicContact CB-CD2 4.33Å
315	Y	98.6	Very high	97.6	Very high	11 Å²	11	47.9 Å²	47.9	4%	0.043	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.2	176.4	177.3	-91.3	0	0	0	110.4	Y284 L286 S301 L302 F317 G320 V322	Y284-Y315 HydrophobicContact CD1-CE1 4.26Å; L286-Y315 HydrophobicContact CD2-CD1 3.58Å; L286-Y315 HydrophobicContact CD2-CD2 3.96Å; L286-Y315 HydrophobicContact CD2-CE1 3.72Å; L286-Y315 HydrophobicContact CD2-CE2 4.08Å; L286-Y315 HydrophobicContact CD2-CG 3.7Å; S301-Y315 CarbonylContact C-O 3.56Å; S301-Y315 WeakPolarHBondContact CA-O 3.5Å; S301-Y315 WeakPolarHBondContact CB-O 3.37Å; L302-Y315 PolarHBondContact N-O 3.17Å; L302-Y315 PolarHBondContact O-N 2.56Å; Y315-F317 HydrophobicContact CD1-CD1 4.21Å; Y315-F317 HydrophobicContact CD1-CE1 4.34Å; Y315-F317 AromaticContact CE1-CD1 3.98Å; Y315-F317 HydrophobicContact CE1-CD1 3.98Å; Y315-F317 HydrophobicContact CE1-CE1 4.35Å; Y315-G320 VanDerWaalsContact CE2-C 3.41Å; Y315-G320 VanDerWaalsContact CE2-O 3.26Å; Y315-G320 WeakPolarHBondContact CE2-O 3.45Å; Y315-G320 VanDerWaalsContact OH-CA 3.25Å; Y315-G320 WeakPolarHBondContact OH-CA 3.16Å; Y315-G320 PolarHBondContact OH-O 3.44Å; Y315-V322 HydrophobicContact CD2-CG2 4.19Å
316	S	97.9	Very high	97.6	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.084	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.6	177.7	158.2	0	0	0	0	110.6	D318 S319 G320 R321	S316-D318 VanDerWaalsContact C-N 3.34Å; S316-D318 PolarHBondContact OG-N 3.47Å; S316-S319 WeakPolarHBondContact CB-OG 3.28Å; S316-S319 PolarHBondContact OG-N 2.86Å; S316-S319 PolarHBondContact OG-OG 3.41Å; S316-G320 VanDerWaalsContact O-CA 3.25Å; S316-G320 WeakPolarHBondContact O-CA 3.24Å; S316-G320 PolarHBondContact O-N 3.24Å; S316-R321 PolarHBondContact N-O 3.39Å; S316-R321 PolarHBondContact O-N 3.4Å
317	F	96.4	Very high	97.6	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.018	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-32.3	176.5	-68	-64.1	0	0	0	112.6	W255 V266 Y284 V297 G300 L302 Y315	W255-F317 AromaticContact CD1-CE1 3.71Å; W255-F317 AromaticContact CD1-CE2 3.62Å; W255-F317 AromaticContact CD1-CZ 3.28Å; W255-F317 HydrophobicContact CD2-CE2 4.43Å; W255-F317 AromaticContact CE2-CE2 3.85Å; W255-F317 HydrophobicContact CG-CE2 4.29Å; W255-F317 HydrophobicContact CG-CZ 4.1Å; W255-F317 HydrophobicContact CZ2-CD2 4.34Å; W255-F317 HydrophobicContact CZ2-CE2 4.45Å; W255-F317 AromaticContact NE1-CD2 3.54Å; W255-F317 AromaticContact NE1-CE1 3.79Å; W255-F317 AromaticContact NE1-CE2 3.3Å; W255-F317 VanDerWaalsContact NE1-CE2 3.3Å; W255-F317 AromaticContact NE1-CG 3.88Å; W255-F317 AromaticContact NE1-CZ 3.41Å; V266-F317 HydrophobicContact CG1-CE1 4.08Å; V266-F317 HydrophobicContact CG1-CZ 4.27Å; Y284-F317 AromaticContact CD1-CD1 3.84Å; Y284-F317 HydrophobicContact CD1-CD1 3.84Å; Y284-F317 AromaticContact CD2-CD1 3.75Å; Y284-F317 HydrophobicContact CD2-CD1 3.75Å; Y284-F317 AromaticContact CD2-CE1 3.92Å; Y284-F317 HydrophobicContact CD2-CE1 3.92Å; Y284-F317 HydrophobicContact CE1-CB 4.02Å; Y284-F317 AromaticContact CE1-CD1 3.77Å; Y284-F317 HydrophobicContact CE1-CD1 3.77Å; Y284-F317 HydrophobicContact CE1-CG 4.38Å; Y284-F317 WeakPolarHBondContact CE1-O 3.19Å; Y284-F317 AromaticContact CE2-CD1 3.68Å; Y284-F317 HydrophobicContact CE2-CD1 3.68Å; Y284-F317 HydrophobicContact CE2-CE1 4.16Å; Y284-F317 HydrophobicContact CE2-CG 4.46Å; Y284-F317 AromaticContact CG-CD1 3.83Å; Y284-F317 HydrophobicContact CG-CD1 3.83Å; Y284-F317 HydrophobicContact CG-CE1 4.14Å; Y284-F317 AromaticContact CZ-CD1 3.69Å; V297-F317 HydrophobicContact CG1-CE2 3.9Å; V297-F317 HydrophobicContact CG2-CE2 3.8Å; V297-F317 HydrophobicContact CG2-CZ 4.1Å; G300-F317 WeakPolarHBondContact O-CD2 3.4Å; G300-F317 PolarHBondContact O-N 3.1Å; L302-F317 HydrophobicContact CB-CE1 4.35Å; L302-F317 HydrophobicContact CB-CE2 3.87Å; L302-F317 HydrophobicContact CB-CZ 3.6Å; L302-F317 HydrophobicContact CD2-CZ 4.39Å; L302-F317 HydrophobicContact CG-CZ 4.39Å; Y315-F317 HydrophobicContact CD1-CD1 4.21Å; Y315-F317 HydrophobicContact CD1-CE1 4.34Å; Y315-F317 AromaticContact CE1-CD1 3.98Å; Y315-F317 HydrophobicContact CE1-CD1 3.98Å; Y315-F317 HydrophobicContact CE1-CE1 4.35Å
318	D	93.4	Very high	97.6	Very high	129 Å²	129	49.9 Å²	49.9	69%	0.69	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-49.8	-179.9	-67.2	-20.1	0	0	0	111.6	S316	S316-D318 VanDerWaalsContact C-N 3.34Å; S316-D318 PolarHBondContact OG-N 3.47Å
319	S	95.6	Very high	97.5	Very high	60 Å²	60	51.4 Å²	51.4	42%	0.42	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-18.6	179.8	65	0	0	0	0	113.6	S316 R321	S316-S319 WeakPolarHBondContact CB-OG 3.28Å; S316-S319 PolarHBondContact OG-N 2.86Å; S316-S319 PolarHBondContact OG-OG 3.41Å; S319-R321 PolarHBondContact O-N 3.46Å; S319-R321 PolarHBondContact OG-N 2.88Å
320	G	96	Very high	97.4	Very high	32 Å²	32	57.9 Å²	57.9	33%	0.33	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	22.3	-173.8	0	0	0	0	0	113.9	Y315 S316	Y315-G320 VanDerWaalsContact CE2-C 3.41Å; Y315-G320 VanDerWaalsContact CE2-O 3.26Å; Y315-G320 WeakPolarHBondContact CE2-O 3.45Å; Y315-G320 VanDerWaalsContact OH-CA 3.25Å; Y315-G320 WeakPolarHBondContact OH-CA 3.16Å; Y315-G320 PolarHBondContact OH-O 3.44Å; S316-G320 VanDerWaalsContact O-CA 3.25Å; S316-G320 WeakPolarHBondContact O-CA 3.24Å; S316-G320 PolarHBondContact O-N 3.24Å
321	R	96.8	Very high	97.4	Very high	185 Å²	185	56.7 Å²	56.7	70%	0.698	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	158	-172.9	-67.1	179.2	-177.5	-175.9	0.7	112.3	S316 S319	S316-R321 PolarHBondContact N-O 3.39Å; S316-R321 PolarHBondContact O-N 3.4Å; S319-R321 PolarHBondContact O-N 3.46Å; S319-R321 PolarHBondContact OG-N 2.88Å
322	V	98.4	Very high	97.4	Very high	41 Å²	41	55 Å²	55	25%	0.248	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.5	169.5	173	0	0	0	0	108.9	P287 F288 I313 K314 Y315 Q325	P287-V322 HydrophobicContact CG-CG2 3.51Å; F288-V322 HydrophobicContact CE2-CG2 4.37Å; I313-V322 HydrophobicContact CG2-CB 4.43Å; I313-V322 HydrophobicContact CG2-CG1 3.82Å; I313-V322 HydrophobicContact CG2-CG2 3.76Å; K314-V322 CarbonylContact O-C 3.56Å; K314-V322 WeakPolarHBondContact O-CA 3.19Å; Y315-V322 HydrophobicContact CD2-CG2 4.19Å; V322-Q325 HydrophobicContact CG1-CG 3.48Å; V322-Q325 VanDerWaalsContact CG1-CG 3.48Å
323	L	98	Very high	97.4	Very high	101 Å²	101	58.4 Å²	58.4	53%	0.529	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-33.8	179.7	-61.5	-173.1	0	0	0	112.3	K314	K314-L323 HydrophobicContact CD-CB 4.19Å; K314-L323 HydrophobicContact CG-CB 4.26Å; K314-L323 PolarHBondContact O-N 2.96Å
324	A	98.1	Very high	97.3	Very high	15 Å²	15	61.8 Å²	61.8	12%	0.124	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.6	178.7	0	0	0	0	0	111	K314 L379	K314-A324 HydrophobicContact CB-CB 4.11Å; K314-A324 PolarHBondContact N-O 3.22Å; A324-L379 HydrophobicContact CB-CD1 3.78Å; A324-L379 HydrophobicContact CB-CG 3.95Å
325	Q	98.2	Very high	97.3	Very high	94 Å²	94	64.4 Å²	64.4	44%	0.439	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.6	169.6	-60.9	-178.1	63.1	0	0	108.2	I311 I312 I313 V322	I311-Q325 HydrophobicContact CG2-CB 4.17Å; I312-Q325 VanDerWaalsContact O-CA 3.31Å; I312-Q325 WeakPolarHBondContact O-CA 2.97Å; I313-Q325 HydrophobicContact CD1-CG 4.43Å; I313-Q325 HydrophobicContact CG1-CG 4.09Å; I313-Q325 HydrophobicContact CG2-CG 4.36Å; V322-Q325 HydrophobicContact CG1-CG 3.48Å; V322-Q325 VanDerWaalsContact CG1-CG 3.48Å
326	R	98.3	Very high	97.3	Very high	99 Å²	99	66.9 Å²	66.9	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.2	177.6	-168.5	174.5	-72.7	-114.9	2.5	111.4	I311 I312 T378 L379	I311-R326 CarbonylContact C-O 3.56Å; I311-R326 WeakPolarHBondContact CA-O 3.31Å; I312-R326 PolarHBondContact N-O 2.89Å; I312-R326 PolarHBondContact O-N 3.48Å; R326-T378 PolarHBondContact NE-O 2.96Å; R326-T378 PolarHBondContact NH2-O 2.78Å; R326-L379 HydrophobicContact CB-CB 3.81Å; R326-L379 HydrophobicContact CB-CD1 4.42Å; R326-L379 WeakPolarHBondContact CD-O 3.28Å
327	S	98.1	Very high	97.3	Very high	56 Å²	56	67.6 Å²	67.6	39%	0.392	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133	171	173	0	0	0	0	110	N310 E329	N310-S327 PolarHBondContact ND2-OG 3.22Å; N310-S327 PolarHBondContact OD1-OG 2.92Å; S327-E329 PolarHBondContact O-N 2.89Å
328	L	97.4	Very high	97.4	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.016	34%	0.343	C	S	.	.			trans	-85.7	101.4	168.2	-161.4	65.4	0	0	0	108	N310 I312 Y330 A331 I347 A358 Y360 L374 V381	N310-L328 PolarHBondContact ND2-O 3Å; N310-L328 PolarHBondContact O-N 2.78Å; I312-L328 HydrophobicContact CD1-CB 4.32Å; I312-L328 HydrophobicContact CD1-CD1 4.17Å; I312-L328 HydrophobicContact CD1-CD2 4.25Å; L328-Y330 PolarHBondContact O-N 2.83Å; L328-A331 HydrophobicContact CB-CB 3.93Å; L328-A331 HydrophobicContact CD2-CB 3.91Å; L328-A331 HydrophobicContact CG-CB 3.99Å; L328-A331 VanDerWaalsContact O-CB 3.3Å; L328-A331 WeakPolarHBondContact O-CB 3.25Å; L328-A331 PolarHBondContact O-N 3.02Å; L328-I347 HydrophobicContact CD2-CD1 4.41Å; L328-I347 HydrophobicContact CD2-CG1 4.44Å; L328-I347 HydrophobicContact CD2-CG2 4.15Å; L328-A358 HydrophobicContact CD2-CB 4.07Å; L328-Y360 HydrophobicContact CD1-CE1 4.07Å; L328-Y360 HydrophobicContact CD2-CD1 3.32Å; L328-Y360 HydrophobicContact CD2-CD2 3.86Å; L328-Y360 HydrophobicContact CD2-CE1 3.48Å; L328-Y360 VanDerWaalsContact CD2-CE1 3.48Å; L328-Y360 HydrophobicContact CD2-CE2 3.98Å; L328-Y360 HydrophobicContact CD2-CG 3.5Å; L328-Y360 HydrophobicContact CG-CD1 4.23Å; L328-Y360 HydrophobicContact CG-CD2 4.35Å; L328-Y360 HydrophobicContact CG-CE1 3.91Å; L328-Y360 HydrophobicContact CG-CE2 4.01Å; L328-Y360 HydrophobicContact CG-CG 4.42Å; L328-L374 HydrophobicContact CD1-CD2 4.47Å; L328-V381 HydrophobicContact CD1-CG2 3.75Å
329	E	94.9	Very high	97.7	Very high	135 Å²	135	62 Å²	62	63%	0.631	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136.1	-172.2	-64.8	-174.3	175.3	0	0	111.9	S327 A331	S327-E329 PolarHBondContact O-N 2.89Å; E329-A331 PolarHBondContact O-N 2.82Å
330	Y	97.3	Very high	97.8	Very high	150 Å²	150	61.7 Å²	61.7	59%	0.588	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-0.9	-179.9	-44.1	-70.1	0	0	0	116.7	L328 G332 T362	L328-Y330 PolarHBondContact O-N 2.83Å; Y330-G332 PolarHBondContact O-N 2.82Å; Y330-T362 WeakPolarHBondContact O-CB 3.29Å; Y330-T362 WeakPolarHBondContact O-CG2 3.14Å
331	A	98.5	Very high	97.8	Very high	5 Å²	5	61.5 Å²	61.5	4%	0.041	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-63.7	129.4	177.8	0	0	0	0	0	110.7	N310 L328 E329 I347 Y360	N310-A331 HydrophobicContact CB-CB 4.17Å; L328-A331 HydrophobicContact CB-CB 3.93Å; L328-A331 HydrophobicContact CD2-CB 3.91Å; L328-A331 HydrophobicContact CG-CB 3.99Å; L328-A331 VanDerWaalsContact O-CB 3.3Å; L328-A331 WeakPolarHBondContact O-CB 3.25Å; L328-A331 PolarHBondContact O-N 3.02Å; E329-A331 PolarHBondContact O-N 2.82Å; A331-I347 HydrophobicContact CB-CD1 4.1Å; A331-I347 HydrophobicContact CB-CG1 4.35Å; A331-Y360 HydrophobicContact CB-CD2 3.38Å; A331-Y360 HydrophobicContact CB-CE2 3.84Å; A331-Y360 HydrophobicContact CB-CG 4.09Å
332	G	98	Very high	97.9	Very high	9 Å²	9	53.5 Å²	53.5	9%	0.093	27%	0.27	C	S	.	.			trans	-65.4	149.2	167.9	0	0	0	0	0	110.5	Y330 D346 A361	Y330-G332 PolarHBondContact O-N 2.82Å; G332-D346 WeakPolarHBondContact O-CB 3.34Å; G332-A361 PolarHBondContact N-O 2.67Å
333	F	98.1	Very high	97.8	Very high	75 Å²	75	52 Å²	52	33%	0.329	26%	0.264	S	S	.	.			trans	-149.3	163.9	179	63.1	-85.9	0	0	0	109.4	Q308 S309 N310 V336	Q308-F333 WeakPolarHBondContact O-CE2 3.47Å; S309-F333 VanDerWaalsContact C-CG 3.46Å; S309-F333 VanDerWaalsContact CA-CD2 3.47Å; S309-F333 WeakPolarHBondContact O-CB 3.25Å; N310-F333 HydrophobicContact CB-CB 4.46Å; N310-F333 HydrophobicContact CB-CD1 3.81Å; N310-F333 HydrophobicContact CB-CE1 4.46Å; N310-F333 HydrophobicContact CB-CG 4.38Å; F333-V336 WeakPolarHBondContact O-CG2 3.33Å
334	H	97.3	Very high	97.8	Very high	72 Å²	72	48.4 Å²	48.4	33%	0.333	24%	0.244	S	C	.	.	S	Bend	trans	63.6	52	177.1	-156.5	55.5	0	0	0	113.7	Q308 V336 F344 D346	Q308-H334 WeakPolarHBondContact CG-CE1 3.22Å; Q308-H334 WeakPolarHBondContact CG-ND1 3.29Å; Q308-H334 PolarHBondContact NE2-CE1 2.89Å; Q308-H334 VanDerWaalsContact NE2-CE1 3.31Å; Q308-H334 PolarHBondContact NE2-NE2 3.16Å; H334-V336 VanDerWaalsContact C-N 3.28Å; H334-V336 PolarHBondContact O-N 3.14Å; H334-F344 AromaticContact CE1-CE1 3.44Å; H334-F344 VanDerWaalsContact CE1-CE1 3.44Å; H334-F344 WeakPolarHBondContact CE1-CE1 3.49Å; H334-F344 AromaticContact CE1-CZ 3.84Å; H334-F344 AromaticContact ND1-CD1 3.54Å; H334-F344 AromaticContact ND1-CE1 3.3Å; H334-F344 VanDerWaalsContact ND1-CE1 3.3Å; H334-F344 WeakPolarHBondContact ND1-CE1 3.46Å; H334-D346 PolarHBondContact N-OD2 2.81Å
335	N	97.9	Very high	97.8	Very high	65 Å²	65	47.7 Å²	47.7	35%	0.348	24%	0.238	S	C	.	.	S	Bend	trans	63.5	25.4	-177.8	-72.1	-31.6	0	0	0	114.7	P338 G343 F344 D346	N335-P338 HydrophobicContact CB-CG 4.3Å; N335-P338 WeakPolarHBondContact O-CD 3.19Å; N335-G343 PolarHBondContact OD1-N 2.94Å; N335-F344 HydrophobicContact CB-CD1 4.33Å; N335-F344 WeakPolarHBondContact ND2-CD1 3.33Å; N335-F344 VanDerWaalsContact ND2-CE1 3.3Å; N335-F344 WeakPolarHBondContact ND2-CE1 3.44Å; N335-F344 WeakPolarHBondContact OD1-CA 3.04Å; N335-F344 PolarHBondContact OD1-N 3.27Å; N335-D346 WeakPolarHBondContact CA-OD1 3.38Å; N335-D346 PolarHBondContact N-OD1 2.79Å; N335-D346 PolarHBondContact N-OD2 2.82Å
336	V	98.3	Very high	97.8	Very high	63 Å²	63	43.2 Å²	43.2	38%	0.382	22%	0.217	S	C	.	.	S	Bend	trans	-75.7	-43.6	169.5	174.1	0	0	0	0	110.6	F333 H334 D346 R392	F333-V336 WeakPolarHBondContact O-CG2 3.33Å; H334-V336 VanDerWaalsContact C-N 3.28Å; H334-V336 PolarHBondContact O-N 3.14Å; V336-D346 PolarHBondContact N-OD1 3.16Å; V336-R392 VanDerWaalsContact O-CZ 3.24Å; V336-R392 PolarHBondContact O-NE 3.18Å; V336-R392 PolarHBondContact O-NH2 2.76Å
337	Y	98.4	Very high	97.9	Very high	27 Å²	27	38.6 Å²	38.6	11%	0.106	20%	0.199	C	C	.	.	S	Bend	trans	-136.3	59.1	174.3	-57.8	-61.1	0	0	0	112.2	D346 A361 N363 K391	Y337-D346 PolarHBondContact N-OD1 3.39Å; Y337-A361 HydrophobicContact CD1-CB 4.46Å; Y337-A361 HydrophobicContact CD2-CB 3.85Å; Y337-A361 WeakPolarHBondContact CD2-O 3.44Å; Y337-A361 HydrophobicContact CG-CB 3.77Å; Y337-N363 WeakPolarHBondContact OH-CA 3.21Å; Y337-N363 WeakPolarHBondContact OH-CB 3.43Å; Y337-N363 PolarHBondContact OH-OD1 3.41Å; Y337-K391 WeakPolarHBondContact O-CD 3.36Å
338	P	98.5	Very high	97.9	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.091	18%	0.181	C	C	.	.			trans	-73.1	167.9	177.4	34.9	-35.6	0	0	0	110.4	N335 S345 R392	N335-P338 HydrophobicContact CB-CG 4.3Å; N335-P338 WeakPolarHBondContact O-CD 3.19Å; P338-S345 WeakPolarHBondContact CB-OG 3.44Å; P338-R392 WeakPolarHBondContact O-CA 3.5Å
339	Y	98.7	Very high	98	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	18%	0.18	C	C	.	.			trans	-63.2	170.2	160.3	-67.6	-51.3	0	0	0	111.4	W341 G342 S345 D348 K391 A394 G395 E396 S397	Y339-W341 PolarHBondContact O-N 2.54Å; Y339-G342 PolarHBondContact O-N 3.02Å; Y339-S345 PolarHBondContact N-OG 3.1Å; Y339-D348 HydrophobicContact CE2-CB 4.15Å; Y339-D348 WeakPolarHBondContact CE2-OD2 3.35Å; Y339-D348 PolarHBondContact OH-OD2 2.68Å; Y339-K391 HydrophobicContact CD1-CG 4.05Å; Y339-K391 HydrophobicContact CE1-CD 4.48Å; Y339-K391 HydrophobicContact CE1-CG 3.95Å; Y339-A394 HydrophobicContact CD1-CB 3.72Å; Y339-A394 HydrophobicContact CE1-CB 3.94Å; Y339-G395 WeakPolarHBondContact CB-O 3.49Å; Y339-E396 WeakPolarHBondContact CD2-OE1 3.47Å; Y339-E396 WeakPolarHBondContact CE2-OE2 3.38Å; Y339-S397 PolarHBondContact OH-OG 3.11Å
340	T	97.9	Very high	98.1	Very high	52 Å²	52	29.5 Å²	29.5	32%	0.319	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.9	-177.9	48.7	0	0	0	0	114.2	R392 A394 G395 H410	T340-R392 WeakPolarHBondContact CG2-O 3.29Å; T340-A394 WeakPolarHBondContact CB-O 3.49Å; T340-A394 VanDerWaalsContact CG2-O 3.26Å; T340-A394 WeakPolarHBondContact CG2-O 3.45Å; T340-A394 PolarHBondContact N-O 2.99Å; T340-A394 PolarHBondContact OG1-O 2.86Å; T340-G395 WeakPolarHBondContact OG1-CA 3.35Å; T340-H410 PolarHBondContact OG1-ND1 3.2Å
341	W	97.1	Very high	98	Very high	28 Å²	28	22.6 Å²	22.6	11%	0.106	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.6	177.8	68.3	-95.4	0	0	0	114.2	F238 Y260 T293 Y339 E396 H410 S442	F238-W341 HydrophobicContact CD1-CE3 4.32Å; F238-W341 HydrophobicContact CD1-CZ3 4.12Å; F238-W341 HydrophobicContact CE1-CE3 4.37Å; Y260-W341 HydrophobicContact CG-CZ3 4.43Å; T293-W341 HydrophobicContact CG2-CH2 4.09Å; T293-W341 WeakPolarHBondContact OG1-CH2 3.48Å; T293-W341 WeakPolarHBondContact OG1-CZ2 3.38Å; Y339-W341 PolarHBondContact O-N 2.54Å; W341-E396 PolarHBondContact NE1-OE1 3.32Å; W341-H410 HydrophobicContact CB-CB 4.19Å; W341-S442 WeakPolarHBondContact CZ2-O 3.35Å
342	G	97.8	Very high	97.8	Very high	17 Å²	17	22.5 Å²	22.5	18%	0.175	12%	0.123	C	C	.	.			trans	79	-133	179.8	0	0	0	0	0	113.3	Y339 F344 S345	Y339-G342 PolarHBondContact O-N 3.02Å; G342-F344 PolarHBondContact O-N 2.91Å; G342-S345 WeakPolarHBondContact O-CB 3.41Å; G342-S345 PolarHBondContact O-N 2.94Å; G342-S345 PolarHBondContact O-OG 3.44Å
343	G	97.1	Very high	97.3	Very high	11 Å²	11	23.1 Å²	23.1	11%	0.113	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	31.1	170.7	0	0	0	0	0	116.6	Y260 G292 N335 S345	Y260-G343 WeakPolarHBondContact CD2-O 3.42Å; G292-G343 VanDerWaalsContact CA-O 3.29Å; G292-G343 WeakPolarHBondContact CA-O 3.35Å; N335-G343 PolarHBondContact OD1-N 2.94Å; G343-S345 PolarHBondContact O-N 3.14Å
344	F	98.3	Very high	96.8	Very high	25 Å²	25	22.5 Å²	22.5	11%	0.11	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.1	-179.4	-43.6	-59.3	0	0	0	113.6	Y260 T261 A291 G292 Y307 H334 N335 G342 D346	Y260-F344 AromaticContact CD2-CD2 3.7Å; Y260-F344 HydrophobicContact CD2-CD2 3.7Å; Y260-F344 HydrophobicContact CD2-CE2 4.13Å; Y260-F344 AromaticContact CE2-CD2 3.69Å; Y260-F344 HydrophobicContact CE2-CD2 3.69Å; Y260-F344 AromaticContact CE2-CE2 3.66Å; Y260-F344 HydrophobicContact CE2-CE2 3.66Å; T261-F344 HydrophobicContact CG2-CE2 4.2Å; A291-F344 HydrophobicContact CB-CB 3.8Å; G292-F344 PolarHBondContact N-O 2.85Å; Y307-F344 HydrophobicContact CE2-CD2 4.3Å; Y307-F344 HydrophobicContact CE2-CE2 4.07Å; H334-F344 AromaticContact CE1-CE1 3.44Å; H334-F344 VanDerWaalsContact CE1-CE1 3.44Å; H334-F344 WeakPolarHBondContact CE1-CE1 3.49Å; H334-F344 AromaticContact CE1-CZ 3.84Å; H334-F344 AromaticContact ND1-CD1 3.54Å; H334-F344 AromaticContact ND1-CE1 3.3Å; H334-F344 VanDerWaalsContact ND1-CE1 3.3Å; H334-F344 WeakPolarHBondContact ND1-CE1 3.46Å; N335-F344 HydrophobicContact CB-CD1 4.33Å; N335-F344 WeakPolarHBondContact ND2-CD1 3.33Å; N335-F344 VanDerWaalsContact ND2-CE1 3.3Å; N335-F344 WeakPolarHBondContact ND2-CE1 3.44Å; N335-F344 WeakPolarHBondContact OD1-CA 3.04Å; N335-F344 PolarHBondContact OD1-N 3.27Å; G342-F344 PolarHBondContact O-N 2.91Å; F344-D346 WeakPolarHBondContact CA-OD2 3.33Å; F344-D346 PolarHBondContact O-N 3.1Å
345	S	98.3	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.			trans	-77.7	29.1	178.2	57.4	0	0	0	0	113.3	N294 P338 Y339 G342 G343 I347 K391	N294-S345 WeakPolarHBondContact ND2-CA 3.32Å; N294-S345 WeakPolarHBondContact ND2-CB 3.34Å; N294-S345 PolarHBondContact ND2-O 2.79Å; P338-S345 WeakPolarHBondContact CB-OG 3.44Å; Y339-S345 PolarHBondContact N-OG 3.1Å; G342-S345 WeakPolarHBondContact O-CB 3.41Å; G342-S345 PolarHBondContact O-N 2.94Å; G342-S345 PolarHBondContact O-OG 3.44Å; G343-S345 PolarHBondContact O-N 3.14Å; S345-I347 PolarHBondContact O-N 3.31Å; S345-K391 PolarHBondContact O-NZ 2.89Å
346	D	98.6	Very high	96.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-65.9	-41	-171.6	-56.9	-96.9	0	0	0	113	G332 H334 N335 V336 Y337 F344 K391	G332-D346 WeakPolarHBondContact O-CB 3.34Å; H334-D346 PolarHBondContact N-OD2 2.81Å; N335-D346 WeakPolarHBondContact CA-OD1 3.38Å; N335-D346 PolarHBondContact N-OD1 2.79Å; N335-D346 PolarHBondContact N-OD2 2.82Å; V336-D346 PolarHBondContact N-OD1 3.16Å; Y337-D346 PolarHBondContact N-OD1 3.39Å; F344-D346 WeakPolarHBondContact CA-OD2 3.33Å; F344-D346 PolarHBondContact O-N 3.1Å; D346-K391 WeakPolarHBondContact O-CE 3.38Å; D346-K391 PolarHBondContact O-NZ 2.78Å
347	I	98.8	Very high	96.5	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.079	C	C	.	.	S	Bend	trans	-114.9	127.2	179.9	-62.3	168.7	0	0	0	107.6	N294 N305 N310 L328 A331 S345 L349	N294-I347 PolarHBondContact ND2-O 3.5Å; N305-I347 HydrophobicContact CB-CB 4.32Å; N310-I347 HydrophobicContact CB-CD1 4.08Å; L328-I347 HydrophobicContact CD2-CD1 4.41Å; L328-I347 HydrophobicContact CD2-CG1 4.44Å; L328-I347 HydrophobicContact CD2-CG2 4.15Å; A331-I347 HydrophobicContact CB-CD1 4.1Å; A331-I347 HydrophobicContact CB-CG1 4.35Å; S345-I347 PolarHBondContact O-N 3.31Å; I347-L349 HydrophobicContact CG2-CD2 4.38Å
348	D	98.7	Very high	96.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.9	-175.5	-178.1	1.2	0	0	0	110.7	N294 Y339 M350 A358 V359	N294-D348 VanDerWaalsContact CB-CA 3.49Å; N294-D348 HydrophobicContact CB-CB 3.83Å; N294-D348 WeakPolarHBondContact CB-OD1 3.15Å; Y339-D348 HydrophobicContact CE2-CB 4.15Å; Y339-D348 WeakPolarHBondContact CE2-OD2 3.35Å; Y339-D348 PolarHBondContact OH-OD2 2.68Å; D348-M350 HydrophobicContact CB-CE 4.1Å; D348-M350 WeakPolarHBondContact OD1-CE 3.47Å; D348-M350 WeakPolarHBondContact OD2-CE 3.14Å; D348-A358 CarbonylContact O-C 3.38Å; D348-A358 WeakPolarHBondContact O-CA 3.46Å; D348-V359 HydrophobicContact CB-CB 4.2Å; D348-V359 WeakPolarHBondContact CB-O 3.32Å; D348-V359 PolarHBondContact N-O 3.07Å; D348-V359 PolarHBondContact O-N 3.32Å
349	L	98.7	Very high	96.5	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.5	-175.9	-60.2	170.5	0	0	0	109	N294 V296 I312 I347 W357 A358 L374	N294-L349 PolarHBondContact O-N 3.34Å; V296-L349 WeakPolarHBondContact CB-O 3.3Å; V296-L349 HydrophobicContact CG1-CB 3.86Å; I312-L349 HydrophobicContact CD1-CD2 3.8Å; I312-L349 HydrophobicContact CG1-CD2 4.13Å; I312-L349 HydrophobicContact CG2-CD1 3.8Å; I312-L349 HydrophobicContact CG2-CD2 4.21Å; I347-L349 HydrophobicContact CG2-CD2 4.38Å; L349-W357 WeakPolarHBondContact CA-O 3.32Å; L349-A358 HydrophobicContact CD2-CB 3.87Å; L349-L374 HydrophobicContact CD2-CD1 4.24Å
350	M	97.7	Very high	96.5	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.015	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161	-174.3	60.9	-167.2	68	0	0	110.8	D348 W357 V359 M399 L404	D348-M350 HydrophobicContact CB-CE 4.1Å; D348-M350 WeakPolarHBondContact OD1-CE 3.47Å; D348-M350 WeakPolarHBondContact OD2-CE 3.14Å; M350-W357 HydrophobicContact CG-CB 3.84Å; M350-W357 PolarHBondContact N-O 3Å; M350-W357 VanDerWaalsContact N-O 3.09Å; M350-W357 PolarHBondContact O-N 3.19Å; M350-V359 HydrophobicContact CE-CB 3.81Å; M350-V359 HydrophobicContact CE-CG2 3.42Å; M350-V359 VanDerWaalsContact CE-CG2 3.42Å; M350-V359 HydrophobicContact SD-CG2 3.68Å; M350-M399 HydrophobicContact CG-CB 4.13Å; M350-M399 HydrophobicContact CG-CG 3.95Å; M350-M399 HydrophobicContact SD-CB 3.73Å; M350-M399 HydrophobicContact SD-CG 3.25Å; M350-M399 WeakPolarHBondContact SD-CG 3.33Å; M350-M399 PolarHBondContact SD-N 3.43Å; M350-M399 VanDerWaalsContact SD-N 3.44Å; M350-L404 HydrophobicContact SD-CD1 4.45Å
351	A	95.2	Very high	96.6	Very high	4 Å²	4	9.8 Å²	9.8	3%	0.033	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.7	178.8	0	0	0	0	0	111.1	V296 Y298 G355	V296-A351 HydrophobicContact CG2-CB 3.95Å; Y298-A351 HydrophobicContact CD2-CB 3.39Å; Y298-A351 HydrophobicContact CE2-CB 3.67Å; Y298-A351 HydrophobicContact CG-CB 4.11Å; A351-G355 VanDerWaalsContact CA-O 3.29Å; A351-G355 WeakPolarHBondContact CA-O 3.42Å
352	D	94	Very high	96.6	Very high	4 Å²	4	9 Å²	9	2%	0.021	6%	0.055	C	C	.	.			trans	-134	-165.2	177.4	74.6	-8.6	0	0	0	110.5	I354 G355 W357 M399 C401 G402 Y446	D352-I354 PolarHBondContact O-N 3.26Å; D352-I354 WeakPolarHBondContact OD1-CG1 3.37Å; D352-I354 PolarHBondContact OD1-N 3.32Å; D352-I354 WeakPolarHBondContact OD2-CG1 3.38Å; D352-G355 PolarHBondContact N-O 3.18Å; D352-G355 PolarHBondContact OD1-N 2.86Å; D352-W357 VanDerWaalsContact CG-NE1 3.33Å; D352-W357 PolarHBondContact OD1-NE1 3.29Å; D352-M399 HydrophobicContact CB-CB 4.28Å; D352-C401 PolarHBondContact OD2-N 3.2Å; D352-G402 PolarHBondContact OD2-N 2.92Å; D352-Y446 HydrophobicContact CB-CD1 4.48Å
353	E	88	Confident	96.6	Very high	21 Å²	21	14.3 Å²	14.3	10%	0.098	8%	0.079	C	C	.	.	S	Bend	trans	-61.6	-24.4	179.4	-63.4	84	171.7	0	0	113.6	K215 C401 Y446 A448	K215-E353 VanDerWaalsContact CE-O 3.31Å; K215-E353 WeakPolarHBondContact CE-O 3.48Å; E353-C401 PolarHBondContact OE2-N 2.94Å; E353-C401 PolarHBondContact OE2-SG 2.86Å; E353-Y446 WeakPolarHBondContact OE1-CE1 3.37Å; E353-Y446 PolarHBondContact OE1-OH 2.83Å; E353-Y446 VanDerWaalsContact OE1-OH 3.1Å; E353-A448 HydrophobicContact CG-CB 4.09Å
354	I	88.7	Confident	96.6	Very high	63 Å²	63	20.6 Å²	20.6	32%	0.323	11%	0.105	S	C	.	.	S	Bend	trans	-106.2	-13.9	-172	58.8	165.2	0	0	0	113.4	D352 W357	D352-I354 PolarHBondContact O-N 3.26Å; D352-I354 WeakPolarHBondContact OD1-CG1 3.37Å; D352-I354 PolarHBondContact OD1-N 3.32Å; D352-I354 WeakPolarHBondContact OD2-CG1 3.38Å; I354-W357 HydrophobicContact CD1-CH2 3.92Å; I354-W357 HydrophobicContact CD1-CZ2 3.27Å; I354-W357 HydrophobicContact CG1-CZ2 3.54Å
355	G	90.3	Very high	96.5	Very high	10 Å²	10	20.7 Å²	20.7	10%	0.103	11%	0.107	C	C	.	.			trans	153.6	-151.6	165	0	0	0	0	0	114.9	A351 D352 W357	A351-G355 VanDerWaalsContact CA-O 3.29Å; A351-G355 WeakPolarHBondContact CA-O 3.42Å; D352-G355 PolarHBondContact N-O 3.18Å; D352-G355 PolarHBondContact OD1-N 2.86Å; G355-W357 VanDerWaalsContact O-CD1 3.25Å; G355-W357 PolarHBondContact O-NE1 2.76Å
356	L	97	Very high	96.5	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.7	179	-175.5	70.4	0	0	0	110.6	V296 Y303 L374	V296-L356 HydrophobicContact CG1-CD1 3.6Å; Y303-L356 HydrophobicContact CD1-CD2 3.57Å; Y303-L356 HydrophobicContact CD2-CD1 4.47Å; Y303-L356 HydrophobicContact CE1-CD2 3.54Å; Y303-L356 HydrophobicContact CG-CD1 4.4Å; Y303-L356 HydrophobicContact CG-CD2 4.11Å; L356-L374 HydrophobicContact CD2-CB 4.19Å; L356-L374 HydrophobicContact CD2-CD1 4.34Å; L356-L374 HydrophobicContact CG-CB 4.34Å; L356-L374 PolarHBondContact O-N 3.07Å
357	W	98.5	Very high	96.5	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.6	-174.2	-58.1	90.8	0	0	0	111.3	L349 M350 D352 I354 G355 I371 S372 Q373 W385 M399 T422	L349-W357 WeakPolarHBondContact CA-O 3.32Å; M350-W357 HydrophobicContact CG-CB 3.84Å; M350-W357 PolarHBondContact N-O 3Å; M350-W357 VanDerWaalsContact N-O 3.09Å; M350-W357 PolarHBondContact O-N 3.19Å; D352-W357 VanDerWaalsContact CG-NE1 3.33Å; D352-W357 PolarHBondContact OD1-NE1 3.29Å; I354-W357 HydrophobicContact CD1-CH2 3.92Å; I354-W357 HydrophobicContact CD1-CZ2 3.27Å; I354-W357 HydrophobicContact CG1-CZ2 3.54Å; G355-W357 VanDerWaalsContact O-CD1 3.25Å; G355-W357 PolarHBondContact O-NE1 2.76Å; W357-I371 HydrophobicContact CE3-CG2 3.6Å; W357-I371 HydrophobicContact CZ3-CG2 4Å; W357-S372 CarbonylContact C-O 3.6Å; W357-S372 WeakPolarHBondContact CA-O 3.42Å; W357-Q373 HydrophobicContact CD2-CG 4.38Å; W357-Q373 HydrophobicContact CE3-CB 3.86Å; W357-Q373 HydrophobicContact CE3-CG 4.18Å; W357-Q373 HydrophobicContact CH2-CB 3.76Å; W357-Q373 HydrophobicContact CH2-CG 3.67Å; W357-Q373 HydrophobicContact CZ2-CB 4.36Å; W357-Q373 HydrophobicContact CZ2-CG 3.81Å; W357-Q373 HydrophobicContact CZ3-CB 3.51Å; W357-Q373 HydrophobicContact CZ3-CG 3.89Å; W357-W385 HydrophobicContact CH2-CH2 4.13Å; W357-W385 HydrophobicContact CH2-CZ3 4.26Å; W357-W385 HydrophobicContact CZ3-CE3 4.3Å; W357-W385 AromaticContact CZ3-CH2 3.9Å; W357-W385 HydrophobicContact CZ3-CH2 3.9Å; W357-W385 AromaticContact CZ3-CZ3 3.57Å; W357-W385 HydrophobicContact CZ3-CZ3 3.57Å; W357-M399 HydrophobicContact CB-CG 4.46Å; W357-M399 HydrophobicContact CD2-CE 3.5Å; W357-M399 HydrophobicContact CE3-CE 3.69Å; W357-M399 HydrophobicContact CG-CE 3.98Å; W357-M399 HydrophobicContact CG-CG 4.3Å; W357-M399 HydrophobicContact CH2-CE 4.23Å; W357-M399 HydrophobicContact CZ2-CE 4.13Å; W357-M399 HydrophobicContact CZ3-CE 3.99Å; W357-T422 HydrophobicContact CH2-CG2 4.48Å; W357-T422 HydrophobicContact CZ3-CG2 4.13Å
358	A	98.7	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.5	164.2	0	0	0	0	0	110.1	I312 L328 D348 L349 Y360 I371 S372 L374	I312-A358 HydrophobicContact CD1-CB 4.36Å; L328-A358 HydrophobicContact CD2-CB 4.07Å; D348-A358 CarbonylContact O-C 3.38Å; D348-A358 WeakPolarHBondContact O-CA 3.46Å; L349-A358 HydrophobicContact CD2-CB 3.87Å; A358-Y360 HydrophobicContact CB-CD1 4.28Å; A358-Y360 HydrophobicContact CB-CE1 4.48Å; A358-I371 CarbonylContact O-C 3.55Å; A358-S372 PolarHBondContact N-O 2.81Å; A358-S372 PolarHBondContact O-N 2.89Å; A358-L374 HydrophobicContact CB-CD1 3.93Å; A358-L374 HydrophobicContact CB-CD2 4.46Å; A358-L374 HydrophobicContact CB-CG 4.25Å
359	V	98.8	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	175.9	179.7	0	0	0	0	108.3	D348 M350 I369 V370 L404	D348-V359 HydrophobicContact CB-CB 4.2Å; D348-V359 WeakPolarHBondContact CB-O 3.32Å; D348-V359 PolarHBondContact N-O 3.07Å; D348-V359 PolarHBondContact O-N 3.32Å; M350-V359 HydrophobicContact CE-CB 3.81Å; M350-V359 HydrophobicContact CE-CG2 3.42Å; M350-V359 VanDerWaalsContact CE-CG2 3.42Å; M350-V359 HydrophobicContact SD-CG2 3.68Å; V359-I369 HydrophobicContact CG1-CG2 3.54Å; V359-V370 WeakPolarHBondContact CA-O 3.33Å; V359-L404 HydrophobicContact CG1-CD1 4.32Å; V359-L404 HydrophobicContact CG2-CD1 3.81Å
360	Y	98.8	Very high	96.5	Very high	13 Å²	13	26.7 Å²	26.7	5%	0.051	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-172.3	-172.9	61.4	-75.5	0	0	0	109.7	L328 A331 A358 T362 I369 V370 S372	L328-Y360 HydrophobicContact CD1-CE1 4.07Å; L328-Y360 HydrophobicContact CD2-CD1 3.32Å; L328-Y360 HydrophobicContact CD2-CD2 3.86Å; L328-Y360 HydrophobicContact CD2-CE1 3.48Å; L328-Y360 VanDerWaalsContact CD2-CE1 3.48Å; L328-Y360 HydrophobicContact CD2-CE2 3.98Å; L328-Y360 HydrophobicContact CD2-CG 3.5Å; L328-Y360 HydrophobicContact CG-CD1 4.23Å; L328-Y360 HydrophobicContact CG-CD2 4.35Å; L328-Y360 HydrophobicContact CG-CE1 3.91Å; L328-Y360 HydrophobicContact CG-CE2 4.01Å; L328-Y360 HydrophobicContact CG-CG 4.42Å; A331-Y360 HydrophobicContact CB-CD2 3.38Å; A331-Y360 HydrophobicContact CB-CE2 3.84Å; A331-Y360 HydrophobicContact CB-CG 4.09Å; A358-Y360 HydrophobicContact CB-CD1 4.28Å; A358-Y360 HydrophobicContact CB-CE1 4.48Å; Y360-T362 HydrophobicContact CD2-CG2 3.94Å; Y360-T362 HydrophobicContact CE2-CG2 3.62Å; Y360-I369 CarbonylContact O-C 3.58Å; Y360-I369 WeakPolarHBondContact O-CA 3.39Å; Y360-V370 HydrophobicContact CD1-CB 4.49Å; Y360-V370 HydrophobicContact CD2-CB 4.39Å; Y360-V370 HydrophobicContact CE1-CB 4.24Å; Y360-V370 HydrophobicContact CE1-CG1 3.98Å; Y360-V370 HydrophobicContact CE2-CB 4.18Å; Y360-V370 HydrophobicContact CE2-CG1 4.17Å; Y360-V370 PolarHBondContact N-O 2.76Å; Y360-V370 PolarHBondContact O-N 2.91Å; Y360-S372 WeakPolarHBondContact CE1-OG 3.46Å; Y360-S372 PolarHBondContact OH-OG 2.87Å
361	A	98.8	Very high	96.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.1	170.9	0	0	0	0	0	110.8	G332 Y337 N368 K391	G332-A361 PolarHBondContact N-O 2.67Å; Y337-A361 HydrophobicContact CD1-CB 4.46Å; Y337-A361 HydrophobicContact CD2-CB 3.85Å; Y337-A361 WeakPolarHBondContact CD2-O 3.44Å; Y337-A361 HydrophobicContact CG-CB 3.77Å; A361-N368 WeakPolarHBondContact CB-O 3.25Å; A361-K391 HydrophobicContact CB-CB 3.98Å; A361-K391 HydrophobicContact CB-CD 4.08Å
362	T	98.4	Very high	96.7	Very high	12 Å²	12	26.4 Å²	26.4	7%	0.074	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-128.1	154.9	-179.2	71.7	0	0	0	0	110.2	Y330 Y360 Q364 N365 G367 V370	Y330-T362 WeakPolarHBondContact O-CB 3.29Å; Y330-T362 WeakPolarHBondContact O-CG2 3.14Å; Y360-T362 HydrophobicContact CD2-CG2 3.94Å; Y360-T362 HydrophobicContact CE2-CG2 3.62Å; T362-Q364 VanDerWaalsContact C-N 3.28Å; T362-Q364 PolarHBondContact O-N 3.02Å; T362-N365 PolarHBondContact O-N 3.35Å; T362-N365 WeakPolarHBondContact OG1-CB 3.37Å; T362-N365 PolarHBondContact OG1-N 3.49Å; T362-G367 PolarHBondContact O-N 3.02Å; T362-V370 HydrophobicContact CG2-CG2 4.23Å
363	N	97.6	Very high	96.9	Very high	127 Å²	127	28.5 Å²	28.5	68%	0.679	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.7	175.4	-170.9	61.9	0	0	0	112.1	Y337 N365 A366	Y337-N363 WeakPolarHBondContact OH-CA 3.21Å; Y337-N363 WeakPolarHBondContact OH-CB 3.43Å; Y337-N363 PolarHBondContact OH-OD1 3.41Å; N363-N365 PolarHBondContact O-N 3.39Å; N363-A366 PolarHBondContact O-N 3.46Å
364	Q	96.1	Very high	97.4	Very high	143 Å²	143	27.8 Å²	27.8	67%	0.668	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.8	177	-64.8	170.7	-6.9	0	0	112.3	T362 A366	T362-Q364 VanDerWaalsContact C-N 3.28Å; T362-Q364 PolarHBondContact O-N 3.02Å; Q364-A366 VanDerWaalsContact C-N 3.31Å
365	N	97.3	Very high	97.8	Very high	28 Å²	28	27.2 Å²	27.2	15%	0.15	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	23.3	175.1	-163.5	34.9	0	0	0	112.6	T362 N363 G367 N368 I369 V370	T362-N365 PolarHBondContact O-N 3.35Å; T362-N365 WeakPolarHBondContact OG1-CB 3.37Å; T362-N365 PolarHBondContact OG1-N 3.49Å; N363-N365 PolarHBondContact O-N 3.39Å; N365-G367 PolarHBondContact O-N 3.24Å; N365-G367 VanDerWaalsContact O-N 3.1Å; N365-N368 PolarHBondContact ND2-O 3.15Å; N365-N368 VanDerWaalsContact ND2-O 3.13Å; N365-N368 VanDerWaalsContact O-CB 3.28Å; N365-N368 WeakPolarHBondContact O-CB 3.26Å; N365-N368 PolarHBondContact O-N 3.14Å; N365-N368 PolarHBondContact O-ND2 3.48Å; N365-I369 PolarHBondContact ND2-O 2.59Å; N365-V370 HydrophobicContact CB-CG2 4.08Å; N365-V370 WeakPolarHBondContact ND2-CG2 3.39Å
366	A	97.8	Very high	97.9	Very high	82 Å²	82	29.7 Å²	29.7	68%	0.678	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	31.4	179.1	0	0	0	0	0	114.8	N363 Q364 N368	N363-A366 PolarHBondContact O-N 3.46Å; Q364-A366 VanDerWaalsContact C-N 3.31Å; A366-N368 PolarHBondContact O-N 2.87Å
367	G	97.9	Very high	97.7	Very high	7 Å²	7	33.8 Å²	33.8	7%	0.072	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	9	-177.9	0	0	0	0	0	114.7	T362 N365 K391	T362-G367 PolarHBondContact O-N 3.02Å; N365-G367 PolarHBondContact O-N 3.24Å; N365-G367 VanDerWaalsContact O-N 3.1Å; G367-K391 PolarHBondContact O-N 3.39Å
368	N	98.6	Very high	97.6	Very high	34 Å²	34	36.5 Å²	36.5	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	150.2	169.5	-63.7	-40.1	0	0	0	110.8	A361 N365 A366 V370 Y389 P390	A361-N368 WeakPolarHBondContact CB-O 3.25Å; N365-N368 PolarHBondContact ND2-O 3.15Å; N365-N368 VanDerWaalsContact ND2-O 3.13Å; N365-N368 VanDerWaalsContact O-CB 3.28Å; N365-N368 WeakPolarHBondContact O-CB 3.26Å; N365-N368 PolarHBondContact O-N 3.14Å; N365-N368 PolarHBondContact O-ND2 3.48Å; A366-N368 PolarHBondContact O-N 2.87Å; N368-V370 PolarHBondContact O-N 3.02Å; N368-Y389 CarbonylContact C-O 3.47Å; N368-Y389 VanDerWaalsContact CA-O 3.31Å; N368-Y389 WeakPolarHBondContact CA-O 3.27Å; N368-P390 WeakPolarHBondContact OD1-CA 3.41Å
369	I	98.8	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	133.9	179.4	-67.4	169.2	0	0	0	109.8	V359 Y360 N365 I371 T387 Y389 K391 A394 L404 V406	V359-I369 HydrophobicContact CG1-CG2 3.54Å; Y360-I369 CarbonylContact O-C 3.58Å; Y360-I369 WeakPolarHBondContact O-CA 3.39Å; N365-I369 PolarHBondContact ND2-O 2.59Å; I369-I371 HydrophobicContact CG2-CG1 4.36Å; I369-T387 HydrophobicContact CB-CG2 4.25Å; I369-T387 WeakPolarHBondContact CB-OG1 3.18Å; I369-T387 HydrophobicContact CG2-CG2 3.94Å; I369-T387 PolarHBondContact O-N 2.96Å; I369-T387 PolarHBondContact O-OG1 3.21Å; I369-T387 VanDerWaalsContact O-OG1 3.08Å; I369-Y389 HydrophobicContact CD1-CD1 4.1Å; I369-Y389 WeakPolarHBondContact CG1-O 3.13Å; I369-Y389 PolarHBondContact N-O 3.19Å; I369-K391 HydrophobicContact CD1-CB 4.46Å; I369-K391 HydrophobicContact CD1-CG 4.45Å; I369-K391 HydrophobicContact CG1-CB 3.62Å; I369-K391 HydrophobicContact CG1-CD 4.32Å; I369-K391 HydrophobicContact CG1-CG 3.86Å; I369-A394 HydrophobicContact CD1-CB 4.32Å; I369-L404 HydrophobicContact CG2-CD2 3.8Å; I369-V406 HydrophobicContact CD1-CG1 4.39Å; I369-V406 HydrophobicContact CD1-CG2 4.07Å
370	V	98.8	Very high	97.5	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.6	168.9	-178.3	0	0	0	0	107.1	V359 Y360 T362 N365 N368 W385	V359-V370 WeakPolarHBondContact CA-O 3.33Å; Y360-V370 HydrophobicContact CD1-CB 4.49Å; Y360-V370 HydrophobicContact CD2-CB 4.39Å; Y360-V370 HydrophobicContact CE1-CB 4.24Å; Y360-V370 HydrophobicContact CE1-CG1 3.98Å; Y360-V370 HydrophobicContact CE2-CB 4.18Å; Y360-V370 HydrophobicContact CE2-CG1 4.17Å; Y360-V370 PolarHBondContact N-O 2.76Å; Y360-V370 PolarHBondContact O-N 2.91Å; T362-V370 HydrophobicContact CG2-CG2 4.23Å; N365-V370 HydrophobicContact CB-CG2 4.08Å; N365-V370 WeakPolarHBondContact ND2-CG2 3.39Å; N368-V370 PolarHBondContact O-N 3.02Å; V370-W385 WeakPolarHBondContact CA-O 3.3Å
371	I	98.6	Very high	97.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.4	172.6	-54.5	162.3	0	0	0	106.7	W357 A358 I369 S384 W385 T387 M399 L404 Y420 T422	W357-I371 HydrophobicContact CE3-CG2 3.6Å; W357-I371 HydrophobicContact CZ3-CG2 4Å; A358-I371 CarbonylContact O-C 3.55Å; I369-I371 HydrophobicContact CG2-CG1 4.36Å; I371-S384 CarbonylContact O-C 3.53Å; I371-S384 WeakPolarHBondContact O-CA 3.22Å; I371-W385 HydrophobicContact CB-CB 4.49Å; I371-W385 HydrophobicContact CB-CE3 4.47Å; I371-W385 HydrophobicContact CG2-CE3 4.41Å; I371-W385 PolarHBondContact N-O 3.33Å; I371-W385 PolarHBondContact O-N 2.86Å; I371-T387 HydrophobicContact CD1-CG2 3.61Å; I371-T387 HydrophobicContact CG1-CG2 3.85Å; I371-M399 HydrophobicContact CG2-CE 4.36Å; I371-L404 HydrophobicContact CD1-CB 3.64Å; I371-L404 HydrophobicContact CD1-CD2 3.76Å; I371-L404 HydrophobicContact CD1-CG 4.23Å; I371-L404 HydrophobicContact CG1-CB 4.44Å; I371-L404 HydrophobicContact CG1-CD2 3.9Å; I371-Y420 HydrophobicContact CD1-CD1 3.78Å; I371-Y420 HydrophobicContact CD1-CE1 4.44Å; I371-Y420 HydrophobicContact CD1-CG 4.36Å; I371-T422 HydrophobicContact CD1-CG2 4.17Å; I371-T422 HydrophobicContact CG2-CG2 4.27Å
372	S	98.6	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.1	171.6	-71.8	0	0	0	0	110.7	W357 A358 Y360 K383 S384	W357-S372 CarbonylContact C-O 3.6Å; W357-S372 WeakPolarHBondContact CA-O 3.42Å; A358-S372 PolarHBondContact N-O 2.81Å; A358-S372 PolarHBondContact O-N 2.89Å; Y360-S372 WeakPolarHBondContact CE1-OG 3.46Å; Y360-S372 PolarHBondContact OH-OG 2.87Å; S372-K383 CarbonylContact C-O 3.6Å; S372-K383 VanDerWaalsContact CA-O 3.29Å; S372-K383 WeakPolarHBondContact CA-O 3.41Å; S372-S384 PolarHBondContact OG-OG 2.95Å
373	Q	98.4	Very high	97.4	Very high	48 Å²	48	52.9 Å²	52.9	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.9	170	-164.2	174.9	22.5	0	0	108.8	W357 L382 K383 W385	W357-Q373 HydrophobicContact CD2-CG 4.38Å; W357-Q373 HydrophobicContact CE3-CB 3.86Å; W357-Q373 HydrophobicContact CE3-CG 4.18Å; W357-Q373 HydrophobicContact CH2-CB 3.76Å; W357-Q373 HydrophobicContact CH2-CG 3.67Å; W357-Q373 HydrophobicContact CZ2-CB 4.36Å; W357-Q373 HydrophobicContact CZ2-CG 3.81Å; W357-Q373 HydrophobicContact CZ3-CB 3.51Å; W357-Q373 HydrophobicContact CZ3-CG 3.89Å; Q373-L382 HydrophobicContact CB-CB 4.48Å; Q373-L382 HydrophobicContact CG-CD1 4.42Å; Q373-L382 PolarHBondContact O-N 2.76Å; Q373-K383 PolarHBondContact N-O 3.11Å; Q373-W385 HydrophobicContact CB-CH2 4.19Å; Q373-W385 HydrophobicContact CB-CZ3 3.98Å
374	L	98.3	Very high	97.4	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143	-176.4	-58.6	-175.8	0	0	0	111.6	I312 L328 L349 L356 A358 Q376 E380 V381	I312-L374 HydrophobicContact CD1-CD1 3.83Å; L328-L374 HydrophobicContact CD1-CD2 4.47Å; L349-L374 HydrophobicContact CD2-CD1 4.24Å; L356-L374 HydrophobicContact CD2-CB 4.19Å; L356-L374 HydrophobicContact CD2-CD1 4.34Å; L356-L374 HydrophobicContact CG-CB 4.34Å; L356-L374 PolarHBondContact O-N 3.07Å; A358-L374 HydrophobicContact CB-CD1 3.93Å; A358-L374 HydrophobicContact CB-CD2 4.46Å; A358-L374 HydrophobicContact CB-CG 4.25Å; L374-Q376 PolarHBondContact O-N 3.17Å; L374-E380 WeakPolarHBondContact CA-O 3.42Å; L374-V381 HydrophobicContact CD2-CG2 3.81Å
375	N	97.2	Very high	97.5	Very high	51 Å²	51	43.6 Å²	43.6	27%	0.273	24%	0.241	S	C	.	.			trans	-68.4	120.6	161.2	-174.4	-65.5	0	0	0	108.9	D377 T378 L379 E380 L382	N375-D377 PolarHBondContact O-N 2.96Å; N375-D377 VanDerWaalsContact O-N 3.14Å; N375-D377 WeakPolarHBondContact OD1-CA 3.16Å; N375-D377 PolarHBondContact OD1-N 3.3Å; N375-T378 WeakPolarHBondContact CB-OG1 3.47Å; N375-T378 PolarHBondContact OD1-N 3Å; N375-T378 PolarHBondContact OD1-OG1 3.36Å; N375-L379 WeakPolarHBondContact O-CA 3.45Å; N375-L379 PolarHBondContact O-N 3.35Å; N375-E380 HydrophobicContact CB-CB 4.42Å; N375-E380 PolarHBondContact N-O 3.04Å; N375-L382 HydrophobicContact CB-CD1 4.46Å; N375-L382 HydrophobicContact CB-CD2 4.1Å; N375-L382 HydrophobicContact CB-CG 4.3Å
376	Q	93.4	Very high	97.5	Very high	63 Å²	63	46.8 Å²	46.8	29%	0.294	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.6	-177.1	67.9	178.3	11	0	0	114	Y303 K314 L374	Y303-Q376 PolarHBondContact OH-O 2.54Å; K314-Q376 WeakPolarHBondContact CD-O 3.3Å; K314-Q376 WeakPolarHBondContact CE-O 3.12Å; K314-Q376 PolarHBondContact NZ-O 2.97Å; L374-Q376 PolarHBondContact O-N 3.17Å
377	D	92.5	Very high	97.5	Very high	88 Å²	88	43.1 Å²	43.1	47%	0.471	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-44.4	-174.9	-65.3	-47.2	0	0	0	112.1	K314 N375	K314-D377 IonicContact NZ-OD1 2.82Å; K314-D377 PolarHBondContact NZ-OD1 2.94Å; N375-D377 PolarHBondContact O-N 2.96Å; N375-D377 VanDerWaalsContact O-N 3.14Å; N375-D377 WeakPolarHBondContact OD1-CA 3.16Å; N375-D377 PolarHBondContact OD1-N 3.3Å
378	T	95.8	Very high	97.5	Very high	59 Å²	59	45 Å²	45	36%	0.362	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-10.4	-176.3	68.2	0	0	0	0	114.1	R326 N375 E380	R326-T378 PolarHBondContact NE-O 2.96Å; R326-T378 PolarHBondContact NH2-O 2.78Å; N375-T378 WeakPolarHBondContact CB-OG1 3.47Å; N375-T378 PolarHBondContact OD1-N 3Å; N375-T378 PolarHBondContact OD1-OG1 3.36Å; T378-E380 PolarHBondContact O-N 3.47Å; T378-E380 VanDerWaalsContact O-N 3.16Å; T378-E380 VanDerWaalsContact OG1-CB 3.3Å; T378-E380 WeakPolarHBondContact OG1-CB 3.35Å; T378-E380 PolarHBondContact OG1-N 2.82Å
379	L	98.1	Very high	97.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	24%	0.241	C	C	.	.			trans	60.3	10	-170.9	-55.3	175.7	0	0	0	114.5	Y303 I312 K314 A324 R326 N375	Y303-L379 HydrophobicContact CD1-CD2 3.61Å; Y303-L379 HydrophobicContact CE1-CD2 3.66Å; I312-L379 HydrophobicContact CB-CD1 4.39Å; I312-L379 HydrophobicContact CG2-CD1 4.07Å; I312-L379 HydrophobicContact CG2-CD2 4.21Å; K314-L379 HydrophobicContact CB-CD1 4.2Å; K314-L379 HydrophobicContact CB-CD2 4.33Å; A324-L379 HydrophobicContact CB-CD1 3.78Å; A324-L379 HydrophobicContact CB-CG 3.95Å; R326-L379 HydrophobicContact CB-CB 3.81Å; R326-L379 HydrophobicContact CB-CD1 4.42Å; R326-L379 WeakPolarHBondContact CD-O 3.28Å; N375-L379 WeakPolarHBondContact O-CA 3.45Å; N375-L379 PolarHBondContact O-N 3.35Å
380	E	97.8	Very high	97.5	Very high	97 Å²	97	46.8 Å²	46.8	45%	0.453	26%	0.258	S	S	.	.			trans	-66.3	140.4	179.8	-173.1	169	-169.2	0	0	111.5	L374 N375 T378 L382	L374-E380 WeakPolarHBondContact CA-O 3.42Å; N375-E380 HydrophobicContact CB-CB 4.42Å; N375-E380 PolarHBondContact N-O 3.04Å; T378-E380 PolarHBondContact O-N 3.47Å; T378-E380 VanDerWaalsContact O-N 3.16Å; T378-E380 VanDerWaalsContact OG1-CB 3.3Å; T378-E380 WeakPolarHBondContact OG1-CB 3.35Å; T378-E380 PolarHBondContact OG1-N 2.82Å; E380-L382 PolarHBondContact O-N 2.64Å
381	V	98.3	Very high	97.4	Very high	54 Å²	54	46.6 Å²	46.6	33%	0.327	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	115	174.7	175	0	0	0	0	108.3	L328 L374 S384	L328-V381 HydrophobicContact CD1-CG2 3.75Å; L374-V381 HydrophobicContact CD2-CG2 3.81Å; V381-S384 WeakPolarHBondContact CG1-OG 3.37Å
382	L	97.2	Very high	97.4	Very high	100 Å²	100	53.7 Å²	53.7	52%	0.524	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-41.6	178	-61.5	177.3	0	0	0	111.3	Q373 N375 E380	Q373-L382 HydrophobicContact CB-CB 4.48Å; Q373-L382 HydrophobicContact CG-CD1 4.42Å; Q373-L382 PolarHBondContact O-N 2.76Å; N375-L382 HydrophobicContact CB-CD1 4.46Å; N375-L382 HydrophobicContact CB-CD2 4.1Å; N375-L382 HydrophobicContact CB-CG 4.3Å; E380-L382 PolarHBondContact O-N 2.64Å
383	K	97.6	Very high	97.4	Very high	115 Å²	115	56.5 Å²	56.5	50%	0.5	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	151.6	-179.7	-173.3	166.8	175.4	-178.9	0	110.4	S372 Q373 W385	S372-K383 CarbonylContact C-O 3.6Å; S372-K383 VanDerWaalsContact CA-O 3.29Å; S372-K383 WeakPolarHBondContact CA-O 3.41Å; Q373-K383 PolarHBondContact N-O 3.11Å; K383-W385 HydrophobicContact CB-CH2 3.61Å; K383-W385 HydrophobicContact CB-CZ2 4.19Å; K383-W385 HydrophobicContact CB-CZ3 3.87Å; K383-W385 HydrophobicContact CD-CH2 3.74Å; K383-W385 HydrophobicContact CD-CZ2 3.42Å; K383-W385 VanDerWaalsContact CD-CZ2 3.42Å; K383-W385 HydrophobicContact CG-CD2 4.43Å; K383-W385 HydrophobicContact CG-CE3 4.37Å; K383-W385 HydrophobicContact CG-CH2 3.58Å; K383-W385 HydrophobicContact CG-CZ2 3.66Å; K383-W385 HydrophobicContact CG-CZ3 3.94Å; K383-W385 VanDerWaalsContact O-CZ3 3.24Å; K383-W385 WeakPolarHBondContact O-CZ3 3.48Å
384	S	98.3	Very high	97.4	Very high	57 Å²	57	54.2 Å²	54.2	40%	0.399	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.9	178.5	-56.2	0	0	0	0	112.7	I371 S372 V381	I371-S384 CarbonylContact O-C 3.53Å; I371-S384 WeakPolarHBondContact O-CA 3.22Å; S372-S384 PolarHBondContact OG-OG 2.95Å; V381-S384 WeakPolarHBondContact CG1-OG 3.37Å
385	W	98.5	Very high	97.4	Very high	18 Å²	18	53.9 Å²	53.9	7%	0.068	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136	178.5	-61.6	-104.1	0	0	0	110.8	W357 V370 I371 Q373 K383 Y420 T422	W357-W385 HydrophobicContact CH2-CH2 4.13Å; W357-W385 HydrophobicContact CH2-CZ3 4.26Å; W357-W385 HydrophobicContact CZ3-CE3 4.3Å; W357-W385 AromaticContact CZ3-CH2 3.9Å; W357-W385 HydrophobicContact CZ3-CH2 3.9Å; W357-W385 AromaticContact CZ3-CZ3 3.57Å; W357-W385 HydrophobicContact CZ3-CZ3 3.57Å; V370-W385 WeakPolarHBondContact CA-O 3.3Å; I371-W385 HydrophobicContact CB-CB 4.49Å; I371-W385 HydrophobicContact CB-CE3 4.47Å; I371-W385 HydrophobicContact CG2-CE3 4.41Å; I371-W385 PolarHBondContact N-O 3.33Å; I371-W385 PolarHBondContact O-N 2.86Å; Q373-W385 HydrophobicContact CB-CH2 4.19Å; Q373-W385 HydrophobicContact CB-CZ3 3.98Å; K383-W385 HydrophobicContact CB-CH2 3.61Å; K383-W385 HydrophobicContact CB-CZ2 4.19Å; K383-W385 HydrophobicContact CB-CZ3 3.87Å; K383-W385 HydrophobicContact CD-CH2 3.74Å; K383-W385 HydrophobicContact CD-CZ2 3.42Å; K383-W385 VanDerWaalsContact CD-CZ2 3.42Å; K383-W385 HydrophobicContact CG-CD2 4.43Å; K383-W385 HydrophobicContact CG-CE3 4.37Å; K383-W385 HydrophobicContact CG-CH2 3.58Å; K383-W385 HydrophobicContact CG-CZ2 3.66Å; K383-W385 HydrophobicContact CG-CZ3 3.94Å; K383-W385 VanDerWaalsContact O-CZ3 3.24Å; K383-W385 WeakPolarHBondContact O-CZ3 3.48Å; W385-Y420 HydrophobicContact CB-CE1 3.78Å; W385-Y420 HydrophobicContact CG-CE1 4.13Å; W385-T422 HydrophobicContact CD2-CG2 3.99Å; W385-T422 HydrophobicContact CE3-CG2 4.19Å; W385-T422 HydrophobicContact CG-CG2 4.33Å; W385-T422 HydrophobicContact CZ2-CG2 4.48Å; W385-T422 PolarHBondContact NE1-O 2.93Å
386	N	98.1	Very high	97.4	Very high	96 Å²	96	51.6 Å²	51.6	51%	0.513	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.5	173.6	-65.3	-25.8	0	0	0	109.4	Y420	N386-Y420 WeakPolarHBondContact O-CE2 3.49Å; N386-Y420 PolarHBondContact O-OH 2.8Å
387	T	97.8	Very high	97.7	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.025	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-30.3	-172.2	72.7	0	0	0	0	113.4	I369 I371 Y389 L404 Y418 Y420	I369-T387 HydrophobicContact CB-CG2 4.25Å; I369-T387 WeakPolarHBondContact CB-OG1 3.18Å; I369-T387 HydrophobicContact CG2-CG2 3.94Å; I369-T387 PolarHBondContact O-N 2.96Å; I369-T387 PolarHBondContact O-OG1 3.21Å; I369-T387 VanDerWaalsContact O-OG1 3.08Å; I371-T387 HydrophobicContact CD1-CG2 3.61Å; I371-T387 HydrophobicContact CG1-CG2 3.85Å; T387-Y389 VanDerWaalsContact C-N 3.3Å; T387-Y389 PolarHBondContact OG1-N 3.03Å; T387-L404 HydrophobicContact CG2-CD2 4.21Å; T387-Y418 WeakPolarHBondContact CB-OH 3.44Å; T387-Y418 PolarHBondContact O-OH 2.94Å; T387-Y420 HydrophobicContact CG2-CD1 4.27Å; T387-Y420 HydrophobicContact CG2-CD2 3.99Å; T387-Y420 HydrophobicContact CG2-CE2 4.49Å; T387-Y420 HydrophobicContact CG2-CG 3.9Å
388	G	96.8	Very high	98	Very high	46 Å²	46	44.4 Å²	44.4	47%	0.474	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	8.9	-172.7	0	0	0	0	0	114.3
389	Y	98.3	Very high	98	Very high	19 Å²	19	41.7 Å²	41.7	8%	0.075	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.9	173.7	-164.5	-86.6	0	0	0	111.2	N368 I369 T387 K391 A394 V406 Y418 Y429	N368-Y389 CarbonylContact C-O 3.47Å; N368-Y389 VanDerWaalsContact CA-O 3.31Å; N368-Y389 WeakPolarHBondContact CA-O 3.27Å; I369-Y389 HydrophobicContact CD1-CD1 4.1Å; I369-Y389 WeakPolarHBondContact CG1-O 3.13Å; I369-Y389 PolarHBondContact N-O 3.19Å; T387-Y389 VanDerWaalsContact C-N 3.3Å; T387-Y389 PolarHBondContact OG1-N 3.03Å; Y389-K391 PolarHBondContact O-N 2.8Å; Y389-A394 HydrophobicContact CD1-CB 4.44Å; Y389-A394 HydrophobicContact CE1-CB 4Å; Y389-V406 HydrophobicContact CD1-CG1 3.94Å; Y389-V406 HydrophobicContact CE1-CG1 3.69Å; Y389-Y418 HydrophobicContact CD2-CD1 4.04Å; Y389-Y418 AromaticContact CD2-CD2 3.54Å; Y389-Y418 HydrophobicContact CD2-CD2 3.54Å; Y389-Y418 HydrophobicContact CD2-CE2 4.04Å; Y389-Y418 AromaticContact CD2-CG 3.52Å; Y389-Y418 HydrophobicContact CD2-CG 3.52Å; Y389-Y418 HydrophobicContact CE2-CD2 4.21Å; Y389-Y418 HydrophobicContact CE2-CG 4.04Å; Y389-Y418 HydrophobicContact CG-CD1 4.15Å; Y389-Y418 HydrophobicContact CG-CD2 4.33Å; Y389-Y418 HydrophobicContact CG-CE1 4.41Å; Y389-Y418 HydrophobicContact CG-CG 4.1Å; Y389-Y429 HydrophobicContact CE2-CE1 4.48Å
390	P	98.4	Very high	97.9	Very high	54 Å²	54	41.5 Å²	41.5	35%	0.351	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	123.8	-179.3	-22	32.8	0	0	0	112.7	N368 R392 S393	N368-P390 WeakPolarHBondContact OD1-CA 3.41Å; P390-R392 VanDerWaalsContact C-N 3.29Å; P390-R392 PolarHBondContact O-N 3.36Å; P390-S393 WeakPolarHBondContact O-CB 3.26Å; P390-S393 PolarHBondContact O-N 3.44Å
391	K	98.6	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.5	-35.1	-176.4	-166.8	167.6	-171.7	-57.3	0	112.9	Y337 Y339 S345 D346 A361 G367 I369 Y389 S393 A394	Y337-K391 WeakPolarHBondContact O-CD 3.36Å; Y339-K391 HydrophobicContact CD1-CG 4.05Å; Y339-K391 HydrophobicContact CE1-CD 4.48Å; Y339-K391 HydrophobicContact CE1-CG 3.95Å; S345-K391 PolarHBondContact O-NZ 2.89Å; D346-K391 WeakPolarHBondContact O-CE 3.38Å; D346-K391 PolarHBondContact O-NZ 2.78Å; A361-K391 HydrophobicContact CB-CB 3.98Å; A361-K391 HydrophobicContact CB-CD 4.08Å; G367-K391 PolarHBondContact O-N 3.39Å; I369-K391 HydrophobicContact CD1-CB 4.46Å; I369-K391 HydrophobicContact CD1-CG 4.45Å; I369-K391 HydrophobicContact CG1-CB 3.62Å; I369-K391 HydrophobicContact CG1-CD 4.32Å; I369-K391 HydrophobicContact CG1-CG 3.86Å; Y389-K391 PolarHBondContact O-N 2.8Å; K391-S393 PolarHBondContact O-N 2.91Å; K391-A394 WeakPolarHBondContact O-CB 3.47Å; K391-A394 PolarHBondContact O-N 3.02Å
392	R	98.4	Very high	97.4	Very high	149 Å²	149	35.6 Å²	35.6	56%	0.562	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-67.6	-11.7	176	-66.8	-172.7	-177.2	-172.9	2.6	114.1	V336 P338 T340 P390	V336-R392 VanDerWaalsContact O-CZ 3.24Å; V336-R392 PolarHBondContact O-NE 3.18Å; V336-R392 PolarHBondContact O-NH2 2.76Å; P338-R392 WeakPolarHBondContact O-CA 3.5Å; T340-R392 WeakPolarHBondContact CG2-O 3.29Å; P390-R392 VanDerWaalsContact C-N 3.29Å; P390-R392 PolarHBondContact O-N 3.36Å
393	S	98.2	Very high	97.4	Very high	59 Å²	59	32 Å²	32	41%	0.413	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-97	-8	174.1	-60.1	0	0	0	0	112.8	P390 K391	P390-S393 WeakPolarHBondContact O-CB 3.26Å; P390-S393 PolarHBondContact O-N 3.44Å; K391-S393 PolarHBondContact O-N 2.91Å
394	A	98.5	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.			trans	-84.3	137.7	177.9	0	0	0	0	0	111.6	Y339 T340 I369 Y389 K391 V406 T407	Y339-A394 HydrophobicContact CD1-CB 3.72Å; Y339-A394 HydrophobicContact CE1-CB 3.94Å; T340-A394 WeakPolarHBondContact CB-O 3.49Å; T340-A394 VanDerWaalsContact CG2-O 3.26Å; T340-A394 WeakPolarHBondContact CG2-O 3.45Å; T340-A394 PolarHBondContact N-O 2.99Å; T340-A394 PolarHBondContact OG1-O 2.86Å; I369-A394 HydrophobicContact CD1-CB 4.32Å; Y389-A394 HydrophobicContact CD1-CB 4.44Å; Y389-A394 HydrophobicContact CE1-CB 4Å; K391-A394 WeakPolarHBondContact O-CB 3.47Å; K391-A394 PolarHBondContact O-N 3.02Å; A394-V406 HydrophobicContact CB-CG1 3.35Å; A394-T407 WeakPolarHBondContact CA-O 3.37Å
395	G	97.8	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-67.3	-57.7	169.8	0	0	0	0	0	111.9	Y339 T340 T407	Y339-G395 WeakPolarHBondContact CB-O 3.49Å; T340-G395 WeakPolarHBondContact OG1-CA 3.35Å; G395-T407 VanDerWaalsContact CA-OG1 3.32Å; G395-T407 WeakPolarHBondContact CA-OG1 3.32Å; G395-T407 PolarHBondContact N-O 3.32Å
396	E	98.1	Very high	97.5	Very high	3 Å²	3	23 Å²	23	1%	0.014	13%	0.132	C	C	.	.			trans	-159.6	169.8	178.3	-91.2	-55.1	152.1	0	0	107.7	Y339 W341 T407 I441 L444	Y339-E396 WeakPolarHBondContact CD2-OE1 3.47Å; Y339-E396 WeakPolarHBondContact CE2-OE2 3.38Å; W341-E396 PolarHBondContact NE1-OE1 3.32Å; E396-T407 PolarHBondContact N-OG1 3.43Å; E396-T407 PolarHBondContact O-N 2.68Å; E396-T407 PolarHBondContact O-OG1 3.38Å; E396-I441 HydrophobicContact CG-CG2 4.16Å; E396-L444 HydrophobicContact CB-CB 3.94Å; E396-L444 HydrophobicContact CB-CD2 4.32Å; E396-L444 HydrophobicContact CG-CB 4.04Å
397	S	98.3	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.5	171	80.8	0	0	0	0	112.4	Y339 Y405	Y339-S397 PolarHBondContact OH-OG 3.11Å; S397-Y405 CarbonylContact C-O 3.5Å; S397-Y405 WeakPolarHBondContact CA-O 3.09Å; S397-Y405 WeakPolarHBondContact CB-O 3.46Å
398	F	98.4	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.7	175	53.9	-90.8	0	0	0	110.5	L222 I225 I400 Y405 V416 L444 L453	L222-F398 HydrophobicContact CD2-CE2 3.93Å; L222-F398 HydrophobicContact CD2-CZ 3.81Å; I225-F398 HydrophobicContact CD1-CZ 4.4Å; F398-I400 HydrophobicContact CD2-CD1 3.99Å; F398-I400 HydrophobicContact CD2-CG1 3.95Å; F398-I400 HydrophobicContact CE2-CD1 3.72Å; F398-I400 HydrophobicContact CE2-CG1 4.15Å; F398-Y405 HydrophobicContact CD2-CD2 4.26Å; F398-Y405 VanDerWaalsContact CE2-CB 3.47Å; F398-Y405 AromaticContact CE2-CD2 3.84Å; F398-Y405 HydrophobicContact CE2-CD2 3.84Å; F398-Y405 AromaticContact CE2-CG 3.86Å; F398-Y405 HydrophobicContact CE2-CG 3.86Å; F398-Y405 HydrophobicContact CZ-CG 4.24Å; F398-Y405 PolarHBondContact N-O 3.41Å; F398-Y405 PolarHBondContact O-N 3.31Å; F398-V416 HydrophobicContact CE1-CG2 4.19Å; F398-V416 HydrophobicContact CZ-CG2 3.94Å; F398-L444 HydrophobicContact CD1-CD2 3.77Å; F398-L444 HydrophobicContact CD1-CG 4Å; F398-L444 HydrophobicContact CE1-CD2 3.78Å; F398-L444 HydrophobicContact CE1-CG 4.38Å; F398-L453 HydrophobicContact CB-CD2 4.3Å; F398-L453 HydrophobicContact CD1-CD1 4.44Å; F398-L453 HydrophobicContact CD1-CD2 4.03Å; F398-L453 HydrophobicContact CD2-CD2 3.61Å; F398-L453 HydrophobicContact CE1-CD1 3.95Å; F398-L453 HydrophobicContact CE1-CD2 4.26Å; F398-L453 HydrophobicContact CE2-CD1 4.29Å; F398-L453 HydrophobicContact CE2-CD2 3.85Å; F398-L453 HydrophobicContact CG-CD2 3.71Å; F398-L453 HydrophobicContact CZ-CD1 3.87Å; F398-L453 HydrophobicContact CZ-CD2 4.17Å
399	M	97.7	Very high	97.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.7	177.9	-75.3	-77.8	-75.4	0	0	110.8	M350 D352 W357 I371 T403 L404 T422 Y446	M350-M399 HydrophobicContact CG-CB 4.13Å; M350-M399 HydrophobicContact CG-CG 3.95Å; M350-M399 HydrophobicContact SD-CB 3.73Å; M350-M399 HydrophobicContact SD-CG 3.25Å; M350-M399 WeakPolarHBondContact SD-CG 3.33Å; M350-M399 PolarHBondContact SD-N 3.43Å; M350-M399 VanDerWaalsContact SD-N 3.44Å; D352-M399 HydrophobicContact CB-CB 4.28Å; W357-M399 HydrophobicContact CB-CG 4.46Å; W357-M399 HydrophobicContact CD2-CE 3.5Å; W357-M399 HydrophobicContact CE3-CE 3.69Å; W357-M399 HydrophobicContact CG-CE 3.98Å; W357-M399 HydrophobicContact CG-CG 4.3Å; W357-M399 HydrophobicContact CH2-CE 4.23Å; W357-M399 HydrophobicContact CZ2-CE 4.13Å; W357-M399 HydrophobicContact CZ3-CE 3.99Å; I371-M399 HydrophobicContact CG2-CE 4.36Å; M399-T403 VanDerWaalsContact SD-C 3.52Å; M399-L404 HydrophobicContact CG-CD1 4.11Å; M399-L404 WeakPolarHBondContact SD-CA 3.46Å; M399-L404 HydrophobicContact SD-CB 3.63Å; M399-L404 HydrophobicContact SD-CD1 3.98Å; M399-L404 HydrophobicContact SD-CG 4.45Å; M399-L404 PolarHBondContact SD-N 3.27Å; M399-T422 HydrophobicContact CE-CG2 4.21Å; M399-Y446 WeakPolarHBondContact O-CB 3.43Å; M399-Y446 VanDerWaalsContact O-CD1 3.27Å; M399-Y446 WeakPolarHBondContact O-CD1 3.3Å
400	I	95.3	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.2	167.3	-55.3	178.2	0	0	0	106.2	L222 F398 G402 T403 Y405 Y446 L468	L222-I400 HydrophobicContact CD1-CD1 4.3Å; F398-I400 HydrophobicContact CD2-CD1 3.99Å; F398-I400 HydrophobicContact CD2-CG1 3.95Å; F398-I400 HydrophobicContact CE2-CD1 3.72Å; F398-I400 HydrophobicContact CE2-CG1 4.15Å; I400-G402 VanDerWaalsContact C-N 3.26Å; I400-G402 PolarHBondContact O-N 3.23Å; I400-G402 VanDerWaalsContact O-N 3.16Å; I400-T403 PolarHBondContact N-O 3.26Å; I400-T403 WeakPolarHBondContact O-CB 3.26Å; I400-T403 PolarHBondContact O-N 3.39Å; I400-Y405 HydrophobicContact CB-CD2 4.35Å; I400-Y405 HydrophobicContact CB-CE2 4.02Å; I400-Y405 HydrophobicContact CD1-CD2 4.42Å; I400-Y405 HydrophobicContact CD1-CE2 4.45Å; I400-Y405 HydrophobicContact CG1-CD2 4.33Å; I400-Y405 HydrophobicContact CG1-CE2 4.41Å; I400-Y446 HydrophobicContact CB-CD1 4.43Å; I400-Y446 HydrophobicContact CB-CE1 4.37Å; I400-Y446 HydrophobicContact CD1-CD2 3.93Å; I400-Y446 HydrophobicContact CD1-CE2 4.04Å; I400-Y446 HydrophobicContact CD1-CG 4.27Å; I400-Y446 HydrophobicContact CG1-CD1 3.81Å; I400-Y446 HydrophobicContact CG1-CD2 3.87Å; I400-Y446 HydrophobicContact CG1-CE1 4.06Å; I400-Y446 HydrophobicContact CG1-CE2 4.12Å; I400-Y446 HydrophobicContact CG1-CG 3.7Å; I400-Y446 HydrophobicContact CG2-CE1 4.06Å; I400-L468 HydrophobicContact CD1-CD2 4.07Å; I400-L468 HydrophobicContact CG2-CD1 3.83Å; I400-L468 HydrophobicContact CG2-CD2 3.96Å
401	C	91.2	Very high	97.2	Very high	25 Å²	25	21.6 Å²	21.6	17%	0.169	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	37.3	173	-62.1	0	0	0	0	115.4	C219 D352 E353 T403	C219-C401 WeakPolarHBondContact CA-SG 3.41Å; C219-C401 HydrophobicContact CB-CB 3.62Å; C219-C401 WeakPolarHBondContact CB-SG 3.36Å; C219-C401 WeakPolarHBondContact SG-CA 3.36Å; C219-C401 WeakPolarHBondContact SG-CB 3.35Å; C219-C401 CovalentContact SG-SG 2.02Å; C219-C401 PolarHBondContact SG-SG 3.48Å; D352-C401 PolarHBondContact OD2-N 3.2Å; E353-C401 PolarHBondContact OE2-N 2.94Å; E353-C401 PolarHBondContact OE2-SG 2.86Å; C401-T403 PolarHBondContact O-N 3.38Å
402	G	94.2	Very high	96.9	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.021	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	12.8	-177.1	0	0	0	0	0	114.8	D352 I400 T422	D352-G402 PolarHBondContact OD2-N 2.92Å; I400-G402 VanDerWaalsContact C-N 3.26Å; I400-G402 PolarHBondContact O-N 3.23Å; I400-G402 VanDerWaalsContact O-N 3.16Å; G402-T422 WeakPolarHBondContact O-CB 3.48Å; G402-T422 WeakPolarHBondContact O-CG2 3.06Å; G402-T422 PolarHBondContact O-N 2.81Å; G402-T422 PolarHBondContact O-OG1 2.86Å
403	T	97	Very high	96.4	Very high	24 Å²	24	21.7 Å²	21.7	15%	0.147	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.7	172.6	-55.9	0	0	0	0	109.1	M399 I400 C401 Y405 Y420	M399-T403 VanDerWaalsContact SD-C 3.52Å; I400-T403 PolarHBondContact N-O 3.26Å; I400-T403 WeakPolarHBondContact O-CB 3.26Å; I400-T403 PolarHBondContact O-N 3.39Å; C401-T403 PolarHBondContact O-N 3.38Å; T403-Y405 HydrophobicContact CG2-CD2 4.4Å; T403-Y405 HydrophobicContact CG2-CE1 4.21Å; T403-Y405 HydrophobicContact CG2-CE2 3.77Å; T403-Y405 WeakPolarHBondContact O-CD2 3.48Å; T403-Y420 CarbonylContact C-O 3.57Å; T403-Y420 WeakPolarHBondContact CA-O 3.44Å
404	L	98.6	Very high	96.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.2	173	-177.9	72.5	0	0	0	108.4	M350 V359 I369 I371 T387 M399 V406 S419 Y420	M350-L404 HydrophobicContact SD-CD1 4.45Å; V359-L404 HydrophobicContact CG1-CD1 4.32Å; V359-L404 HydrophobicContact CG2-CD1 3.81Å; I369-L404 HydrophobicContact CG2-CD2 3.8Å; I371-L404 HydrophobicContact CD1-CB 3.64Å; I371-L404 HydrophobicContact CD1-CD2 3.76Å; I371-L404 HydrophobicContact CD1-CG 4.23Å; I371-L404 HydrophobicContact CG1-CB 4.44Å; I371-L404 HydrophobicContact CG1-CD2 3.9Å; T387-L404 HydrophobicContact CG2-CD2 4.21Å; M399-L404 HydrophobicContact CG-CD1 4.11Å; M399-L404 WeakPolarHBondContact SD-CA 3.46Å; M399-L404 HydrophobicContact SD-CB 3.63Å; M399-L404 HydrophobicContact SD-CD1 3.98Å; M399-L404 HydrophobicContact SD-CG 4.45Å; M399-L404 PolarHBondContact SD-N 3.27Å; L404-V406 HydrophobicContact CD2-CG2 3.71Å; L404-V406 HydrophobicContact CG-CG2 3.89Å; L404-S419 CarbonylContact O-C 3.59Å; L404-S419 WeakPolarHBondContact O-CA 3.3Å; L404-S419 WeakPolarHBondContact O-CB 3.4Å; L404-Y420 PolarHBondContact N-O 3.28Å; L404-Y420 PolarHBondContact O-N 2.95Å
405	Y	98.6	Very high	96.1	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.9	170.9	-69.2	-79.4	0	0	0	109.2	L222 S397 F398 I400 T403 V416	L222-Y405 HydrophobicContact CB-CD1 4.24Å; L222-Y405 HydrophobicContact CB-CD2 4.48Å; L222-Y405 HydrophobicContact CB-CE1 3.67Å; L222-Y405 HydrophobicContact CB-CE2 3.94Å; L222-Y405 VanDerWaalsContact CB-CZ 3.49Å; L222-Y405 HydrophobicContact CD2-CD1 4.09Å; L222-Y405 HydrophobicContact CD2-CE1 4.34Å; L222-Y405 HydrophobicContact CD2-CG 4.2Å; L222-Y405 PolarHBondContact N-OH 3.14Å; S397-Y405 CarbonylContact C-O 3.5Å; S397-Y405 WeakPolarHBondContact CA-O 3.09Å; S397-Y405 WeakPolarHBondContact CB-O 3.46Å; F398-Y405 HydrophobicContact CD2-CD2 4.26Å; F398-Y405 VanDerWaalsContact CE2-CB 3.47Å; F398-Y405 AromaticContact CE2-CD2 3.84Å; F398-Y405 HydrophobicContact CE2-CD2 3.84Å; F398-Y405 AromaticContact CE2-CG 3.86Å; F398-Y405 HydrophobicContact CE2-CG 3.86Å; F398-Y405 HydrophobicContact CZ-CG 4.24Å; F398-Y405 PolarHBondContact N-O 3.41Å; F398-Y405 PolarHBondContact O-N 3.31Å; I400-Y405 HydrophobicContact CB-CD2 4.35Å; I400-Y405 HydrophobicContact CB-CE2 4.02Å; I400-Y405 HydrophobicContact CD1-CD2 4.42Å; I400-Y405 HydrophobicContact CD1-CE2 4.45Å; I400-Y405 HydrophobicContact CG1-CD2 4.33Å; I400-Y405 HydrophobicContact CG1-CE2 4.41Å; T403-Y405 HydrophobicContact CG2-CD2 4.4Å; T403-Y405 HydrophobicContact CG2-CE1 4.21Å; T403-Y405 HydrophobicContact CG2-CE2 3.77Å; T403-Y405 WeakPolarHBondContact O-CD2 3.48Å; Y405-V416 HydrophobicContact CD1-CG1 3.76Å; Y405-V416 HydrophobicContact CG-CG1 4.22Å
406	V	98.8	Very high	96.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.1	-175	-177.2	0	0	0	0	109.5	I369 Y389 A394 L404 Y417 Y418	I369-V406 HydrophobicContact CD1-CG1 4.39Å; I369-V406 HydrophobicContact CD1-CG2 4.07Å; Y389-V406 HydrophobicContact CD1-CG1 3.94Å; Y389-V406 HydrophobicContact CE1-CG1 3.69Å; A394-V406 HydrophobicContact CB-CG1 3.35Å; L404-V406 HydrophobicContact CD2-CG2 3.71Å; L404-V406 HydrophobicContact CG-CG2 3.89Å; V406-Y417 PolarHBondContact O-N 3.01Å; V406-Y418 HydrophobicContact CB-CD1 4.12Å; V406-Y418 HydrophobicContact CG2-CD1 3.84Å; V406-Y418 PolarHBondContact N-O 3.32Å; V406-Y418 PolarHBondContact O-N 3.38Å
407	T	98.4	Very high	96.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.3	174	69.7	0	0	0	0	110.8	A394 G395 E396 S409 K415 V416 F434 L444	A394-T407 WeakPolarHBondContact CA-O 3.37Å; G395-T407 VanDerWaalsContact CA-OG1 3.32Å; G395-T407 WeakPolarHBondContact CA-OG1 3.32Å; G395-T407 PolarHBondContact N-O 3.32Å; E396-T407 PolarHBondContact N-OG1 3.43Å; E396-T407 PolarHBondContact O-N 2.68Å; E396-T407 PolarHBondContact O-OG1 3.38Å; T407-S409 VanDerWaalsContact C-N 3.33Å; T407-S409 PolarHBondContact OG1-O 3.41Å; T407-K415 CarbonylContact C-O 3.55Å; T407-K415 WeakPolarHBondContact CA-O 3.28Å; T407-V416 HydrophobicContact CG2-CG2 4.37Å; T407-F434 HydrophobicContact CG2-CE1 3.78Å; T407-F434 HydrophobicContact CG2-CZ 3.96Å; T407-L444 HydrophobicContact CG2-CD2 3.94Å
408	N	97.1	Very high	96.1	Very high	57 Å²	57	25.3 Å²	25.3	31%	0.305	15%	0.149	S	C	.	.	S	Bend	trans	-80.7	-10.4	179.3	66.6	-22	0	0	0	114.3	K415 Y417	N408-K415 PolarHBondContact N-O 2.75Å; N408-K415 WeakPolarHBondContact OD1-CG 3.3Å; N408-K415 PolarHBondContact OD1-N 3.35Å; N408-K415 PolarHBondContact OD1-O 3.35Å; N408-K415 VanDerWaalsContact OD1-O 3.14Å; N408-Y417 HydrophobicContact CB-CD1 4.4Å; N408-Y417 HydrophobicContact CB-CG 4.2Å
409	S	96.1	Very high	96	Very high	29 Å²	29	25.4 Å²	25.4	20%	0.203	15%	0.15	C	C	.	.			trans	-162.4	154.3	-174.7	-177	0	0	0	0	110.4	T407 L411 A414	T407-S409 VanDerWaalsContact C-N 3.33Å; T407-S409 PolarHBondContact OG1-O 3.41Å; S409-L411 PolarHBondContact OG-N 3.4Å; S409-A414 WeakPolarHBondContact O-CB 3.28Å
410	H	96.1	Very high	96.1	Very high	24 Å²	24	26 Å²	26	11%	0.111	15%	0.152	C	C	.	.	S	Bend	trans	-97.3	-5.5	170.1	64.1	-86.6	0	0	0	112.5	T340 W341 N436 H440 I441	T340-H410 PolarHBondContact OG1-ND1 3.2Å; W341-H410 HydrophobicContact CB-CB 4.19Å; H410-N436 PolarHBondContact O-ND2 2.93Å; H410-H440 AromaticContact CD2-CD2 3.51Å; H410-H440 AromaticContact CD2-NE2 3.46Å; H410-H440 PolarHBondContact CD2-NE2 3.4Å; H410-H440 AromaticContact NE2-CD2 3.9Å; H410-H440 AromaticContact NE2-NE2 3.78Å; H410-H440 WeakPolarHBondContact O-CA 3.3Å; H410-I441 WeakPolarHBondContact CB-O 3.38Å; H410-I441 PolarHBondContact O-N 2.81Å
411	L	96.6	Very high	96.1	Very high	77 Å²	77	27.2 Å²	27.2	40%	0.403	16%	0.16	S	C	.	.	S	Bend	trans	-97.4	-173.7	-176.1	-60.7	175.8	0	0	0	112.1	S409 A414 N436 F439	S409-L411 PolarHBondContact OG-N 3.4Å; L411-A414 VanDerWaalsContact O-CB 3.27Å; L411-A414 WeakPolarHBondContact O-CB 3.2Å; L411-A414 PolarHBondContact O-N 3.46Å; L411-N436 PolarHBondContact O-ND2 3.13Å; L411-F439 WeakPolarHBondContact CA-O 3.48Å; L411-F439 WeakPolarHBondContact CD2-O 3.44Å
412	T	91.3	Very high	96.3	Very high	90 Å²	90	26.6 Å²	26.6	55%	0.552	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	140.5	172.8	-41.1	0	0	0	0	111.7	A414 F439	T412-A414 VanDerWaalsContact C-N 3.27Å; T412-F439 WeakPolarHBondContact OG1-CD1 3.3Å
413	G	88.9	Confident	96.1	Very high	61 Å²	61	35.5 Å²	35.5	63%	0.629	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	8.4	-177.3	0	0	0	0	0	114.2
414	A	94.4	Very high	95.8	Very high	2 Å²	2	38 Å²	38	2%	0.017	21%	0.21	C	C	.	.			trans	-54	140.1	169.2	0	0	0	0	0	111.7	S409 L411 T412 F434	S409-A414 WeakPolarHBondContact O-CB 3.28Å; L411-A414 VanDerWaalsContact O-CB 3.27Å; L411-A414 WeakPolarHBondContact O-CB 3.2Å; L411-A414 PolarHBondContact O-N 3.46Å; T412-A414 VanDerWaalsContact C-N 3.27Å; A414-F434 HydrophobicContact CB-CE1 4.09Å; A414-F434 HydrophobicContact CB-CE2 4.24Å; A414-F434 HydrophobicContact CB-CZ 3.61Å
415	K	96	Very high	95.6	Very high	45 Å²	45	41 Å²	41	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.7	175.9	58.6	174.5	-174.2	179.9	0	110.1	T407 N408 Y417 D431 I432	T407-K415 CarbonylContact C-O 3.55Å; T407-K415 WeakPolarHBondContact CA-O 3.28Å; N408-K415 PolarHBondContact N-O 2.75Å; N408-K415 WeakPolarHBondContact OD1-CG 3.3Å; N408-K415 PolarHBondContact OD1-N 3.35Å; N408-K415 PolarHBondContact OD1-O 3.35Å; N408-K415 VanDerWaalsContact OD1-O 3.14Å; K415-Y417 PolarHBondContact O-N 3.42Å; K415-D431 WeakPolarHBondContact CD-OD1 3.41Å; K415-D431 WeakPolarHBondContact CE-OD1 3.35Å; K415-D431 IonicContact NZ-OD1 2.79Å; K415-D431 PolarHBondContact NZ-OD1 2.76Å; K415-D431 IonicContact NZ-OD2 2.94Å; K415-D431 PolarHBondContact NZ-OD2 3.11Å; K415-I432 WeakPolarHBondContact CA-O 3.46Å; K415-I432 WeakPolarHBondContact CB-O 3.34Å
416	V	98.1	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	113.9	168.8	-173.9	0	0	0	0	107.5	L222 I225 F398 Y405 T407 T430 I432	L222-V416 HydrophobicContact CD2-CG2 4.22Å; I225-V416 HydrophobicContact CD1-CG2 3.69Å; F398-V416 HydrophobicContact CE1-CG2 4.19Å; F398-V416 HydrophobicContact CZ-CG2 3.94Å; Y405-V416 HydrophobicContact CD1-CG1 3.76Å; Y405-V416 HydrophobicContact CG-CG1 4.22Å; T407-V416 HydrophobicContact CG2-CG2 4.37Å; V416-T430 VanDerWaalsContact C-OG1 3.24Å; V416-T430 CarbonylContact O-C 3.59Å; V416-T430 PolarHBondContact O-OG1 2.81Å; V416-I432 HydrophobicContact CB-CB 4.08Å; V416-I432 HydrophobicContact CG2-CB 4.48Å; V416-I432 PolarHBondContact N-O 2.94Å; V416-I432 PolarHBondContact O-N 3.42Å; V416-I432 VanDerWaalsContact O-N 3.1Å
417	Y	96.5	Very high	95.1	Very high	90 Å²	90	51.3 Å²	51.3	35%	0.353	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-16.6	-169.4	-175.9	-113.5	0	0	0	113.6	V406 N408 K415 Y429 T430	V406-Y417 PolarHBondContact O-N 3.01Å; N408-Y417 HydrophobicContact CB-CD1 4.4Å; N408-Y417 HydrophobicContact CB-CG 4.2Å; K415-Y417 PolarHBondContact O-N 3.42Å; Y417-Y429 AromaticContact CD1-CD1 3.92Å; Y417-Y429 HydrophobicContact CD1-CD1 3.92Å; Y417-Y429 HydrophobicContact CD1-CE1 4.23Å; Y417-Y429 AromaticContact CE1-CD1 3.45Å; Y417-Y429 HydrophobicContact CE1-CD1 3.45Å; Y417-Y429 VanDerWaalsContact CE1-CD1 3.45Å; Y417-Y429 AromaticContact CE1-CE1 3.64Å; Y417-Y429 HydrophobicContact CE1-CE1 3.64Å; Y417-Y429 HydrophobicContact CE2-CD1 4.43Å; Y417-Y429 AromaticContact CZ-CD1 3.74Å; Y417-Y429 CarbonylContact O-C 3.59Å; Y417-Y429 WeakPolarHBondContact O-CA 3.41Å; Y417-Y429 WeakPolarHBondContact O-CD1 3.44Å; Y417-T430 VanDerWaalsContact C-OG1 3.31Å; Y417-T430 WeakPolarHBondContact CA-O 3.46Å; Y417-T430 WeakPolarHBondContact CD2-O 3.39Å; Y417-T430 PolarHBondContact N-OG1 2.85Å; Y417-T430 PolarHBondContact O-N 2.99Å
418	Y	98.3	Very high	94.9	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.008	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.1	-177.3	174	-85.3	0	0	0	109.4	T387 Y389 V406 Y420 Y427 Y429 T430	T387-Y418 WeakPolarHBondContact CB-OH 3.44Å; T387-Y418 PolarHBondContact O-OH 2.94Å; Y389-Y418 HydrophobicContact CD2-CD1 4.04Å; Y389-Y418 AromaticContact CD2-CD2 3.54Å; Y389-Y418 HydrophobicContact CD2-CD2 3.54Å; Y389-Y418 HydrophobicContact CD2-CE2 4.04Å; Y389-Y418 AromaticContact CD2-CG 3.52Å; Y389-Y418 HydrophobicContact CD2-CG 3.52Å; Y389-Y418 HydrophobicContact CE2-CD2 4.21Å; Y389-Y418 HydrophobicContact CE2-CG 4.04Å; Y389-Y418 HydrophobicContact CG-CD1 4.15Å; Y389-Y418 HydrophobicContact CG-CD2 4.33Å; Y389-Y418 HydrophobicContact CG-CE1 4.41Å; Y389-Y418 HydrophobicContact CG-CG 4.1Å; V406-Y418 HydrophobicContact CB-CD1 4.12Å; V406-Y418 HydrophobicContact CG2-CD1 3.84Å; V406-Y418 PolarHBondContact N-O 3.32Å; V406-Y418 PolarHBondContact O-N 3.38Å; Y418-Y420 WeakPolarHBondContact OH-CD2 3.23Å; Y418-Y427 AromaticContact CE2-CD2 3.68Å; Y418-Y427 HydrophobicContact CE2-CD2 3.68Å; Y418-Y427 AromaticContact CE2-CG 3.73Å; Y418-Y427 HydrophobicContact CE2-CG 3.73Å; Y418-Y427 VanDerWaalsContact CZ-CB 3.45Å; Y418-Y427 AromaticContact CZ-CG 3.97Å; Y418-Y427 WeakPolarHBondContact OH-CB 3.21Å; Y418-Y429 HydrophobicContact CD2-CD1 4.3Å; Y418-Y429 HydrophobicContact CD2-CE1 4.07Å; Y418-T430 PolarHBondContact N-OG1 2.83Å
419	S	97.8	Very high	94.6	Very high	1 Å²	1	59 Å²	59	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.5	170.2	65.6	0	0	0	0	112.5	L404 Y427 E428	L404-S419 CarbonylContact O-C 3.59Å; L404-S419 WeakPolarHBondContact O-CA 3.3Å; L404-S419 WeakPolarHBondContact O-CB 3.4Å; S419-Y427 CarbonylContact O-C 3.46Å; S419-Y427 WeakPolarHBondContact O-CA 3.35Å; S419-Y427 WeakPolarHBondContact O-CB 3.18Å; S419-E428 PolarHBondContact N-O 2.82Å; S419-E428 PolarHBondContact O-N 3.09Å; S419-E428 WeakPolarHBondContact OG-CG 3.47Å
420	Y	98.3	Very high	94.4	Very high	14 Å²	14	58.4 Å²	58.4	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.8	178.3	-174.9	-79.3	0	0	0	110.1	I371 W385 N386 T387 T403 L404 Y418 S425	I371-Y420 HydrophobicContact CD1-CD1 3.78Å; I371-Y420 HydrophobicContact CD1-CE1 4.44Å; I371-Y420 HydrophobicContact CD1-CG 4.36Å; W385-Y420 HydrophobicContact CB-CE1 3.78Å; W385-Y420 HydrophobicContact CG-CE1 4.13Å; N386-Y420 WeakPolarHBondContact O-CE2 3.49Å; N386-Y420 PolarHBondContact O-OH 2.8Å; T387-Y420 HydrophobicContact CG2-CD1 4.27Å; T387-Y420 HydrophobicContact CG2-CD2 3.99Å; T387-Y420 HydrophobicContact CG2-CE2 4.49Å; T387-Y420 HydrophobicContact CG2-CG 3.9Å; T403-Y420 CarbonylContact C-O 3.57Å; T403-Y420 WeakPolarHBondContact CA-O 3.44Å; L404-Y420 PolarHBondContact N-O 3.28Å; L404-Y420 PolarHBondContact O-N 2.95Å; Y418-Y420 WeakPolarHBondContact OH-CD2 3.23Å; Y420-S425 WeakPolarHBondContact OH-CA 3.39Å
421	S	95.9	Very high	94.1	Very high	25 Å²	25	62.4 Å²	62.4	18%	0.175	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.7	177.4	159.9	0	0	0	0	110.1	K423 T424 S425 T426	S421-K423 PolarHBondContact O-N 2.87Å; S421-T424 VanDerWaalsContact CB-OG1 3.25Å; S421-T424 WeakPolarHBondContact CB-OG1 3.47Å; S421-T424 PolarHBondContact OG-N 2.85Å; S421-T424 PolarHBondContact OG-OG1 2.88Å; S421-S425 VanDerWaalsContact O-CA 3.23Å; S421-S425 WeakPolarHBondContact O-CA 3.29Å; S421-S425 PolarHBondContact O-N 2.87Å; S421-T426 PolarHBondContact N-O 3.29Å; S421-T426 PolarHBondContact O-N 2.91Å
422	T	95.5	Very high	93.9	Very high	12 Å²	12	59.6 Å²	59.6	7%	0.074	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.6	176	60.8	0	0	0	0	112.6	W357 I371 W385 M399 G402	W357-T422 HydrophobicContact CH2-CG2 4.48Å; W357-T422 HydrophobicContact CZ3-CG2 4.13Å; I371-T422 HydrophobicContact CD1-CG2 4.17Å; I371-T422 HydrophobicContact CG2-CG2 4.27Å; W385-T422 HydrophobicContact CD2-CG2 3.99Å; W385-T422 HydrophobicContact CE3-CG2 4.19Å; W385-T422 HydrophobicContact CG-CG2 4.33Å; W385-T422 HydrophobicContact CZ2-CG2 4.48Å; W385-T422 PolarHBondContact NE1-O 2.93Å; M399-T422 HydrophobicContact CE-CG2 4.21Å; G402-T422 WeakPolarHBondContact O-CB 3.48Å; G402-T422 WeakPolarHBondContact O-CG2 3.06Å; G402-T422 PolarHBondContact O-N 2.81Å; G402-T422 PolarHBondContact O-OG1 2.86Å
423	K	90.6	Very high	93.9	Very high	190 Å²	190	59.6 Å²	59.6	83%	0.826	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-47.2	178.2	-176.4	178.7	-179.8	-179.3	0	111.7	S421	S421-K423 PolarHBondContact O-N 2.87Å
424	T	90.3	Very high	94.1	Very high	77 Å²	77	57.6 Å²	57.6	47%	0.472	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-10.9	-178.2	53.1	0	0	0	0	112.8	S421 T426	S421-T424 VanDerWaalsContact CB-OG1 3.25Å; S421-T424 WeakPolarHBondContact CB-OG1 3.47Å; S421-T424 PolarHBondContact OG-N 2.85Å; S421-T424 PolarHBondContact OG-OG1 2.88Å; T424-T426 WeakPolarHBondContact CB-OG1 3.31Å; T424-T426 PolarHBondContact O-N 2.88Å; T424-T426 PolarHBondContact OG1-OG1 2.96Å
425	S	94.6	Very high	94	Very high	63 Å²	63	63 Å²	63	44%	0.441	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	35.3	-172.6	-52.6	0	0	0	0	112.8	Y420 S421	Y420-S425 WeakPolarHBondContact OH-CA 3.39Å; S421-S425 VanDerWaalsContact O-CA 3.23Å; S421-S425 WeakPolarHBondContact O-CA 3.29Å; S421-S425 PolarHBondContact O-N 2.87Å
426	T	91.8	Very high	93.9	Very high	79 Å²	79	61 Å²	61	49%	0.485	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154	-179.3	58.7	0	0	0	0	110.5	S421 T424	S421-T426 PolarHBondContact N-O 3.29Å; S421-T426 PolarHBondContact O-N 2.91Å; T424-T426 WeakPolarHBondContact CB-OG1 3.31Å; T424-T426 PolarHBondContact O-N 2.88Å; T424-T426 PolarHBondContact OG1-OG1 2.96Å
427	Y	95.3	Very high	93.8	Very high	138 Å²	138	64.5 Å²	64.5	54%	0.541	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	160.2	174.5	64	-95	0	0	0	112.6	Y418 S419 Y429	Y418-Y427 AromaticContact CE2-CD2 3.68Å; Y418-Y427 HydrophobicContact CE2-CD2 3.68Å; Y418-Y427 AromaticContact CE2-CG 3.73Å; Y418-Y427 HydrophobicContact CE2-CG 3.73Å; Y418-Y427 VanDerWaalsContact CZ-CB 3.45Å; Y418-Y427 AromaticContact CZ-CG 3.97Å; Y418-Y427 WeakPolarHBondContact OH-CB 3.21Å; S419-Y427 CarbonylContact O-C 3.46Å; S419-Y427 WeakPolarHBondContact O-CA 3.35Å; S419-Y427 WeakPolarHBondContact O-CB 3.18Å; Y427-Y429 HydrophobicContact CE2-CE2 4.26Å
428	E	92.9	Very high	93.7	Very high	82 Å²	82	62.1 Å²	62.1	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.2	170.8	62.7	-174.6	148	0	0	109.9	K221 S419 T430	K221-E428 WeakPolarHBondContact CE-OE1 3.4Å; K221-E428 IonicContact NZ-OE1 2.65Å; K221-E428 PolarHBondContact NZ-OE1 3.36Å; K221-E428 IonicContact NZ-OE2 2.75Å; K221-E428 PolarHBondContact NZ-OE2 2.91Å; S419-E428 PolarHBondContact N-O 2.82Å; S419-E428 PolarHBondContact O-N 3.09Å; S419-E428 WeakPolarHBondContact OG-CG 3.47Å; E428-T430 HydrophobicContact CG-CG2 4.19Å
429	Y	91.6	Very high	93.6	Very high	137 Å²	137	68.2 Å²	68.2	54%	0.537	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	137.9	168.8	-71.2	-85.3	0	0	0	109.4	Y389 Y417 Y418 Y427	Y389-Y429 HydrophobicContact CE2-CE1 4.48Å; Y417-Y429 AromaticContact CD1-CD1 3.92Å; Y417-Y429 HydrophobicContact CD1-CD1 3.92Å; Y417-Y429 HydrophobicContact CD1-CE1 4.23Å; Y417-Y429 AromaticContact CE1-CD1 3.45Å; Y417-Y429 HydrophobicContact CE1-CD1 3.45Å; Y417-Y429 VanDerWaalsContact CE1-CD1 3.45Å; Y417-Y429 AromaticContact CE1-CE1 3.64Å; Y417-Y429 HydrophobicContact CE1-CE1 3.64Å; Y417-Y429 HydrophobicContact CE2-CD1 4.43Å; Y417-Y429 AromaticContact CZ-CD1 3.74Å; Y417-Y429 CarbonylContact O-C 3.59Å; Y417-Y429 WeakPolarHBondContact O-CA 3.41Å; Y417-Y429 WeakPolarHBondContact O-CD1 3.44Å; Y418-Y429 HydrophobicContact CD2-CD1 4.3Å; Y418-Y429 HydrophobicContact CD2-CE1 4.07Å; Y427-Y429 HydrophobicContact CE2-CE2 4.26Å
430	T	91.4	Very high	93.5	Very high	18 Å²	18	68.6 Å²	68.6	11%	0.11	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	168.5	-176.4	62.2	0	0	0	0	110.8	V416 Y417 Y418 E428	V416-T430 VanDerWaalsContact C-OG1 3.24Å; V416-T430 CarbonylContact O-C 3.59Å; V416-T430 PolarHBondContact O-OG1 2.81Å; Y417-T430 VanDerWaalsContact C-OG1 3.31Å; Y417-T430 WeakPolarHBondContact CA-O 3.46Å; Y417-T430 WeakPolarHBondContact CD2-O 3.39Å; Y417-T430 PolarHBondContact N-OG1 2.85Å; Y417-T430 PolarHBondContact O-N 2.99Å; Y418-T430 PolarHBondContact N-OG1 2.83Å; E428-T430 HydrophobicContact CG-CG2 4.19Å
431	D	90	Very high	93.5	Very high	107 Å²	107	68.1 Å²	68.1	57%	0.572	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	71.1	173	-160	-9.4	0	0	0	110.3	K415 P433	K415-D431 WeakPolarHBondContact CD-OD1 3.41Å; K415-D431 WeakPolarHBondContact CE-OD1 3.35Å; K415-D431 IonicContact NZ-OD1 2.79Å; K415-D431 PolarHBondContact NZ-OD1 2.76Å; K415-D431 IonicContact NZ-OD2 2.94Å; K415-D431 PolarHBondContact NZ-OD2 3.11Å; D431-P433 VanDerWaalsContact O-CD 3.31Å; D431-P433 WeakPolarHBondContact O-CD 3.23Å
432	I	91.6	Very high	93.6	Very high	18 Å²	18	66.9 Å²	66.9	9%	0.092	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	99.6	-179.3	-50.1	174.2	0	0	0	108.5	L222 I225 K415 V416	L222-I432 HydrophobicContact CB-CD1 4.27Å; L222-I432 HydrophobicContact CD2-CD1 4.01Å; L222-I432 HydrophobicContact CG-CD1 3.87Å; L222-I432 VanDerWaalsContact O-CD1 3.25Å; L222-I432 WeakPolarHBondContact O-CD1 3.5Å; I225-I432 HydrophobicContact CG1-CG2 4.26Å; K415-I432 WeakPolarHBondContact CA-O 3.46Å; K415-I432 WeakPolarHBondContact CB-O 3.34Å; V416-I432 HydrophobicContact CB-CB 4.08Å; V416-I432 HydrophobicContact CG2-CB 4.48Å; V416-I432 PolarHBondContact N-O 2.94Å; V416-I432 PolarHBondContact O-N 3.42Å; V416-I432 VanDerWaalsContact O-N 3.1Å
433	P	92.4	Very high	93.7	Very high	91 Å²	91	66.3 Å²	66.3	59%	0.591	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	150.9	-179.6	31.1	-35.4	0	0	0	111.2	D431	D431-P433 VanDerWaalsContact O-CD 3.31Å; D431-P433 WeakPolarHBondContact O-CD 3.23Å
434	F	93.8	Very high	94	Very high	19 Å²	19	57.4 Å²	57.4	8%	0.083	29%	0.286	C	S	.	.			trans	-144.7	153.9	167.7	65.5	-85.3	0	0	0	110	I225 T407 A414 N436 I441 L444 F464	I225-F434 HydrophobicContact CB-CB 3.85Å; I225-F434 HydrophobicContact CD1-CB 4.2Å; I225-F434 HydrophobicContact CD1-CD1 4.03Å; I225-F434 HydrophobicContact CD1-CG 4.3Å; I225-F434 HydrophobicContact CG2-CB 3.65Å; I225-F434 HydrophobicContact CG2-CG 4.43Å; T407-F434 HydrophobicContact CG2-CE1 3.78Å; T407-F434 HydrophobicContact CG2-CZ 3.96Å; A414-F434 HydrophobicContact CB-CE1 4.09Å; A414-F434 HydrophobicContact CB-CE2 4.24Å; A414-F434 HydrophobicContact CB-CZ 3.61Å; F434-N436 PolarHBondContact O-N 3.01Å; F434-I441 HydrophobicContact CE2-CD1 3.52Å; F434-I441 HydrophobicContact CZ-CD1 4.18Å; F434-L444 HydrophobicContact CZ-CD2 4.49Å; F434-F464 HydrophobicContact CD2-CE1 4.1Å; F434-F464 HydrophobicContact CD2-CZ 4.12Å
435	H	91.9	Very high	94.3	Very high	114 Å²	114	54.2 Å²	54.2	53%	0.528	27%	0.266	S	S	.	.			trans	-88	105	-173.7	-173.6	57.3	0	0	0	111.6	P228 Q437 F464	P228-H435 WeakPolarHBondContact CD-O 3.17Å; H435-Q437 PolarHBondContact O-N 2.91Å; H435-Q437 VanDerWaalsContact O-N 3.11Å; H435-F464 WeakPolarHBondContact O-CE1 3.37Å
436	N	94.2	Very high	94.5	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	25%	0.247	C	C	.	.			trans	-77.5	88.1	169.1	-175.8	-6.3	0	0	0	110.3	H410 L411 F434 F439 I441 N457	H410-N436 PolarHBondContact O-ND2 2.93Å; L411-N436 PolarHBondContact O-ND2 3.13Å; F434-N436 PolarHBondContact O-N 3.01Å; N436-F439 PolarHBondContact OD1-N 3.16Å; N436-F439 VanDerWaalsContact OD1-N 3.13Å; N436-I441 HydrophobicContact CB-CD1 4.22Å; N436-N457 PolarHBondContact OD1-ND2 3.15Å; N436-N457 PolarHBondContact OD1-OD1 2.94Å
437	Q	94.2	Very high	94.6	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-33	-174.2	179.7	170.8	-24.3	0	0	114.3	P228 H435	P228-Q437 HydrophobicContact CG-CB 3.58Å; P228-Q437 HydrophobicContact CG-CG 4.48Å; P228-Q437 VanDerWaalsContact CG-OE1 3.28Å; H435-Q437 PolarHBondContact O-N 2.91Å; H435-Q437 VanDerWaalsContact O-N 3.11Å
438	Y	96.3	Very high	94.3	Very high	39 Å²	39	42.8 Å²	42.8	15%	0.153	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	23.5	-173.9	-51.7	-77	0	0	0	113.6	T230 H440 N457 N458 H460 V462	T230-Y438 HydrophobicContact CG2-CE2 4.47Å; T230-Y438 WeakPolarHBondContact OG1-CE2 3.29Å; T230-Y438 PolarHBondContact OG1-OH 3.23Å; Y438-H440 PolarHBondContact O-N 3.23Å; Y438-N457 WeakPolarHBondContact CA-OD1 3.13Å; Y438-N457 VanDerWaalsContact CB-OD1 3.3Å; Y438-N457 WeakPolarHBondContact CB-OD1 3.35Å; Y438-N457 HydrophobicContact CD2-CB 4.17Å; Y438-N457 PolarHBondContact O-OD1 2.85Å; Y438-N458 VanDerWaalsContact O-CB 3.29Å; Y438-N458 WeakPolarHBondContact O-CB 3.24Å; Y438-N458 PolarHBondContact O-ND2 3.05Å; Y438-H460 AromaticContact CD1-CD2 3.75Å; Y438-H460 AromaticContact CD1-CE1 3.65Å; Y438-H460 AromaticContact CD1-CG 3.87Å; Y438-H460 AromaticContact CD1-ND1 3.78Å; Y438-H460 AromaticContact CD1-NE2 3.63Å; Y438-H460 HydrophobicContact CD2-CB 3.68Å; Y438-H460 AromaticContact CD2-CG 3.71Å; Y438-H460 AromaticContact CE1-CD2 3.37Å; Y438-H460 WeakPolarHBondContact CE1-CD2 3.31Å; Y438-H460 AromaticContact CE1-CE1 3.94Å; Y438-H460 AromaticContact CE1-CG 3.9Å; Y438-H460 AromaticContact CE1-NE2 3.42Å; Y438-H460 WeakPolarHBondContact CE1-NE2 3.29Å; Y438-H460 HydrophobicContact CE2-CB 3.71Å; Y438-H460 AromaticContact CE2-CD2 3.77Å; Y438-H460 AromaticContact CE2-CG 3.74Å; Y438-H460 HydrophobicContact CG-CB 4.2Å; Y438-H460 AromaticContact CG-CG 3.75Å; Y438-H460 AromaticContact CG-ND1 3.71Å; Y438-H460 AromaticContact CZ-CD2 3.35Å; Y438-H460 AromaticContact CZ-CG 3.81Å; Y438-H460 AromaticContact CZ-NE2 3.93Å; Y438-V462 HydrophobicContact CD2-CG1 4.06Å; Y438-V462 HydrophobicContact CE2-CG1 3.75Å
439	F	94.4	Very high	94	Very high	130 Å²	130	41.4 Å²	41.4	57%	0.57	20%	0.2	S	C	*	.	S	Bend	trans	66	-13.3	167.9	-45.4	-73.4	0	0	0	117	L411 T412 N436	L411-F439 WeakPolarHBondContact CA-O 3.48Å; L411-F439 WeakPolarHBondContact CD2-O 3.44Å; T412-F439 WeakPolarHBondContact OG1-CD1 3.3Å; N436-F439 PolarHBondContact OD1-N 3.16Å; N436-F439 VanDerWaalsContact OD1-N 3.13Å
440	H	97.1	Very high	93.7	Very high	10 Å²	10	38 Å²	38	5%	0.046	19%	0.19	C	C	.	.			trans	-151.8	104.2	-174.5	-174.1	-66.9	0	0	0	112.4	R237 F238 H410 Y438 N457 N458	R237-H440 PolarHBondContact NH2-CD2 3.27Å; F238-H440 AromaticContact CE1-CE1 3.53Å; H410-H440 AromaticContact CD2-CD2 3.51Å; H410-H440 AromaticContact CD2-NE2 3.46Å; H410-H440 PolarHBondContact CD2-NE2 3.4Å; H410-H440 AromaticContact NE2-CD2 3.9Å; H410-H440 AromaticContact NE2-NE2 3.78Å; H410-H440 WeakPolarHBondContact O-CA 3.3Å; Y438-H440 PolarHBondContact O-N 3.23Å; H440-N457 VanDerWaalsContact C-OD1 3.25Å; H440-N457 PolarHBondContact N-OD1 2.98Å; H440-N457 CarbonylContact O-C 3.46Å; H440-N457 WeakPolarHBondContact O-CA 3.48Å; H440-N457 PolarHBondContact O-OD1 3.46Å; H440-N457 VanDerWaalsContact O-OD1 3.05Å; H440-N458 HydrophobicContact CB-CB 4.28Å; H440-N458 PolarHBondContact O-N 3.3Å
441	I	98	Very high	93.5	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.7	175	-66.3	169.4	0	0	0	109.3	E396 H410 F434 N436 M443 L444 W456 N457	E396-I441 HydrophobicContact CG-CG2 4.16Å; H410-I441 WeakPolarHBondContact CB-O 3.38Å; H410-I441 PolarHBondContact O-N 2.81Å; F434-I441 HydrophobicContact CE2-CD1 3.52Å; F434-I441 HydrophobicContact CZ-CD1 4.18Å; N436-I441 HydrophobicContact CB-CD1 4.22Å; I441-M443 WeakPolarHBondContact CG2-O 3.48Å; I441-L444 HydrophobicContact CG2-CB 4.22Å; I441-W456 WeakPolarHBondContact CA-O 3.26Å; I441-N457 HydrophobicContact CG1-CB 4.27Å
442	S	97.1	Very high	93.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	3.2	176	67.4	0	0	0	0	113.2	T293 W341 W456	T293-S442 VanDerWaalsContact CB-O 3.3Å; T293-S442 WeakPolarHBondContact CB-O 3.18Å; T293-S442 PolarHBondContact OG1-O 3.49Å; W341-S442 WeakPolarHBondContact CZ2-O 3.35Å; S442-W456 PolarHBondContact N-O 3.29Å
443	M	97.9	Very high	93.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	136.3	177.1	172.9	-102.5	173	0	0	106.7	G239 A240 W241 M242 I441 D445 Y454 A455 W456	G239-M443 WeakPolarHBondContact O-CB 3.44Å; A240-M443 HydrophobicContact CB-CG 4.25Å; W241-M443 WeakPolarHBondContact O-CE 3.47Å; M242-M443 HydrophobicContact CE-CE 4.31Å; I441-M443 WeakPolarHBondContact CG2-O 3.48Å; M443-D445 HydrophobicContact CE-CB 3.56Å; M443-D445 WeakPolarHBondContact CE-OD2 3.28Å; M443-Y454 VanDerWaalsContact SD-O 3.4Å; M443-A455 WeakPolarHBondContact O-CA 3.49Å; M443-A455 VanDerWaalsContact O-CB 3.28Å; M443-A455 WeakPolarHBondContact O-CB 3.45Å; M443-W456 HydrophobicContact CB-CB 3.88Å; M443-W456 PolarHBondContact O-N 3.46Å; M443-W456 VanDerWaalsContact O-N 3.11Å
444	L	98	Very high	94.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	87.2	178.3	-175.3	67.4	0	0	0	109.5	E396 F398 T407 F434 I441 L453 Y454 A455 F464	E396-L444 HydrophobicContact CB-CB 3.94Å; E396-L444 HydrophobicContact CB-CD2 4.32Å; E396-L444 HydrophobicContact CG-CB 4.04Å; F398-L444 HydrophobicContact CD1-CD2 3.77Å; F398-L444 HydrophobicContact CD1-CG 4Å; F398-L444 HydrophobicContact CE1-CD2 3.78Å; F398-L444 HydrophobicContact CE1-CG 4.38Å; T407-L444 HydrophobicContact CG2-CD2 3.94Å; F434-L444 HydrophobicContact CZ-CD2 4.49Å; I441-L444 HydrophobicContact CG2-CB 4.22Å; L444-L453 HydrophobicContact CD1-CB 3.76Å; L444-L453 HydrophobicContact CD1-CD1 4.1Å; L444-L453 HydrophobicContact CD1-CG 4.44Å; L444-L453 HydrophobicContact CG-CD1 4.46Å; L444-Y454 CarbonylContact C-O 3.57Å; L444-Y454 VanDerWaalsContact CA-O 3.3Å; L444-Y454 WeakPolarHBondContact CA-O 3Å; L444-A455 HydrophobicContact CD1-CB 3.77Å; L444-F464 HydrophobicContact CD1-CD2 4.29Å; L444-F464 HydrophobicContact CD1-CE2 4.42Å
445	D	96.8	Very high	94.4	Very high	11 Å²	11	28 Å²	28	6%	0.059	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.7	-179.8	-75.8	-46.2	0	0	0	113.1	M443 L453 Y454	M443-D445 HydrophobicContact CE-CB 3.56Å; M443-D445 WeakPolarHBondContact CE-OD2 3.28Å; D445-L453 CarbonylContact O-C 3.56Å; D445-L453 VanDerWaalsContact O-CA 3.24Å; D445-L453 WeakPolarHBondContact O-CA 3.31Å; D445-Y454 PolarHBondContact N-O 2.85Å; D445-Y454 PolarHBondContact O-N 3.38Å
446	Y	97.5	Very high	94.7	Very high	13 Å²	13	22.5 Å²	22.5	5%	0.051	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.1	172.8	-179.5	-116	0	0	0	112	D352 E353 M399 I400 A448 L453 V466	D352-Y446 HydrophobicContact CB-CD1 4.48Å; E353-Y446 WeakPolarHBondContact OE1-CE1 3.37Å; E353-Y446 PolarHBondContact OE1-OH 2.83Å; E353-Y446 VanDerWaalsContact OE1-OH 3.1Å; M399-Y446 WeakPolarHBondContact O-CB 3.43Å; M399-Y446 VanDerWaalsContact O-CD1 3.27Å; M399-Y446 WeakPolarHBondContact O-CD1 3.3Å; I400-Y446 HydrophobicContact CB-CD1 4.43Å; I400-Y446 HydrophobicContact CB-CE1 4.37Å; I400-Y446 HydrophobicContact CD1-CD2 3.93Å; I400-Y446 HydrophobicContact CD1-CE2 4.04Å; I400-Y446 HydrophobicContact CD1-CG 4.27Å; I400-Y446 HydrophobicContact CG1-CD1 3.81Å; I400-Y446 HydrophobicContact CG1-CD2 3.87Å; I400-Y446 HydrophobicContact CG1-CE1 4.06Å; I400-Y446 HydrophobicContact CG1-CE2 4.12Å; I400-Y446 HydrophobicContact CG1-CG 3.7Å; I400-Y446 HydrophobicContact CG2-CE1 4.06Å; Y446-A448 HydrophobicContact CD1-CB 4.41Å; Y446-A448 VanDerWaalsContact CE1-CA 3.43Å; Y446-A448 HydrophobicContact CE1-CB 3.77Å; Y446-L453 HydrophobicContact CD2-CD2 4.04Å; Y446-L453 HydrophobicContact CG-CD2 4.45Å; Y446-V466 HydrophobicContact CD2-CG2 4.44Å; Y446-V466 HydrophobicContact CE2-CG2 3.71Å
447	N	94	Very high	94.9	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.027	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.9	167.1	-171.7	-58.9	0	0	0	109.9	T243 R449 D450 R451 A452 Y454	T243-N447 PolarHBondContact O-ND2 3.46Å; T243-N447 VanDerWaalsContact O-ND2 3.1Å; T243-N447 PolarHBondContact OG1-ND2 2.84Å; N447-R449 VanDerWaalsContact C-N 3.29Å; N447-R449 PolarHBondContact O-N 2.9Å; N447-R449 VanDerWaalsContact OD1-CB 3.31Å; N447-R449 WeakPolarHBondContact OD1-CB 3.41Å; N447-R449 PolarHBondContact OD1-N 3.16Å; N447-D450 HydrophobicContact CB-CB 4.47Å; N447-D450 PolarHBondContact O-N 2.88Å; N447-D450 PolarHBondContact OD1-N 3.3Å; N447-D450 VanDerWaalsContact OD1-N 3.17Å; N447-R451 WeakPolarHBondContact O-CA 3.3Å; N447-R451 PolarHBondContact O-N 3.23Å; N447-A452 PolarHBondContact N-O 3.06Å; N447-A452 PolarHBondContact O-N 3.31Å; N447-Y454 HydrophobicContact CB-CD2 3.81Å; N447-Y454 HydrophobicContact CB-CE2 3.57Å
448	A	89.7	Confident	95	Very high	22 Å²	22	21.6 Å²	21.6	18%	0.182	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.8	-177.1	0	0	0	0	0	114.2	E353 Y446	E353-A448 HydrophobicContact CG-CB 4.09Å; Y446-A448 HydrophobicContact CD1-CB 4.41Å; Y446-A448 VanDerWaalsContact CE1-CA 3.43Å; Y446-A448 HydrophobicContact CE1-CB 3.77Å
449	R	85.8	Confident	95.1	Very high	53 Å²	53	20.1 Å²	20.1	20%	0.2	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-50.3	177.6	-177.1	-177.4	66.8	-170.6	-5.1	110.6	T243 D244 P245 A247 N447 R451	T243-R449 PolarHBondContact OG1-NH2 2.95Å; D244-R449 PolarHBondContact O-NH1 3.21Å; D244-R449 VanDerWaalsContact O-NH1 3.14Å; P245-R449 HydrophobicContact CB-CB 4.35Å; A247-R449 PolarHBondContact O-NH1 2.95Å; N447-R449 VanDerWaalsContact C-N 3.29Å; N447-R449 PolarHBondContact O-N 2.9Å; N447-R449 VanDerWaalsContact OD1-CB 3.31Å; N447-R449 WeakPolarHBondContact OD1-CB 3.41Å; N447-R449 PolarHBondContact OD1-N 3.16Å; R449-R451 VanDerWaalsContact C-N 3.34Å
450	D	85.4	Confident	95.3	Very high	64 Å²	64	15.5 Å²	15.5	34%	0.342	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.7	-174.2	-55.8	-13.6	0	0	0	112	N447 A452 Y454	N447-D450 HydrophobicContact CB-CB 4.47Å; N447-D450 PolarHBondContact O-N 2.88Å; N447-D450 PolarHBondContact OD1-N 3.3Å; N447-D450 VanDerWaalsContact OD1-N 3.17Å; D450-A452 HydrophobicContact CB-CB 4.29Å; D450-A452 PolarHBondContact O-N 2.73Å; D450-Y454 PolarHBondContact OD2-OH 2.54Å
451	R	87.3	Confident	95.3	Very high	33 Å²	33	15 Å²	15	13%	0.125	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	50.7	-168.3	-57.8	-163.1	-175.2	168.3	2	111.6	T218 N447 R449 V466	T218-R451 VanDerWaalsContact CA-NH2 3.27Å; T218-R451 VanDerWaalsContact CB-NH2 3.28Å; T218-R451 VanDerWaalsContact CG2-NH2 3.35Å; T218-R451 PolarHBondContact O-NH2 3.26Å; N447-R451 WeakPolarHBondContact O-CA 3.3Å; N447-R451 PolarHBondContact O-N 3.23Å; R449-R451 VanDerWaalsContact C-N 3.34Å; R451-V466 HydrophobicContact CB-CG2 4.23Å; R451-V466 VanDerWaalsContact O-CG2 3.29Å; R451-V466 WeakPolarHBondContact O-CG2 3.44Å; R451-V466 PolarHBondContact O-N 3.02Å
452	A	92.1	Very high	95.3	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.025	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.7	179.1	0	0	0	0	0	110.2	N447 D450 L463 F464	N447-A452 PolarHBondContact N-O 3.06Å; N447-A452 PolarHBondContact O-N 3.31Å; D450-A452 HydrophobicContact CB-CB 4.29Å; D450-A452 PolarHBondContact O-N 2.73Å; A452-L463 HydrophobicContact CB-CD2 4.38Å; A452-F464 CarbonylContact C-O 3.51Å; A452-F464 WeakPolarHBondContact CA-O 3.37Å; A452-F464 WeakPolarHBondContact CB-O 3.32Å
453	L	98.1	Very high	95.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.1	166.5	-56.3	169.7	0	0	0	108.4	I225 F398 L444 D445 Y446 L463 F464 V466	I225-L453 HydrophobicContact CD1-CD1 3.83Å; I225-L453 HydrophobicContact CG1-CD1 4.29Å; I225-L453 HydrophobicContact CG2-CD1 4.37Å; F398-L453 HydrophobicContact CB-CD2 4.3Å; F398-L453 HydrophobicContact CD1-CD1 4.44Å; F398-L453 HydrophobicContact CD1-CD2 4.03Å; F398-L453 HydrophobicContact CD2-CD2 3.61Å; F398-L453 HydrophobicContact CE1-CD1 3.95Å; F398-L453 HydrophobicContact CE1-CD2 4.26Å; F398-L453 HydrophobicContact CE2-CD1 4.29Å; F398-L453 HydrophobicContact CE2-CD2 3.85Å; F398-L453 HydrophobicContact CG-CD2 3.71Å; F398-L453 HydrophobicContact CZ-CD1 3.87Å; F398-L453 HydrophobicContact CZ-CD2 4.17Å; L444-L453 HydrophobicContact CD1-CB 3.76Å; L444-L453 HydrophobicContact CD1-CD1 4.1Å; L444-L453 HydrophobicContact CD1-CG 4.44Å; L444-L453 HydrophobicContact CG-CD1 4.46Å; D445-L453 CarbonylContact O-C 3.56Å; D445-L453 VanDerWaalsContact O-CA 3.24Å; D445-L453 WeakPolarHBondContact O-CA 3.31Å; Y446-L453 HydrophobicContact CD2-CD2 4.04Å; Y446-L453 HydrophobicContact CG-CD2 4.45Å; L453-L463 CarbonylContact O-C 3.59Å; L453-L463 WeakPolarHBondContact O-CA 3.4Å; L453-F464 HydrophobicContact CB-CB 4.21Å; L453-F464 HydrophobicContact CB-CD2 4.45Å; L453-F464 PolarHBondContact N-O 3.35Å; L453-F464 PolarHBondContact O-N 3.38Å; L453-V466 HydrophobicContact CD1-CG1 3.98Å; L453-V466 HydrophobicContact CD2-CG1 4.37Å; L453-V466 HydrophobicContact CG-CG1 3.73Å
454	Y	98.1	Very high	95.2	Very high	6 Å²	6	16.2 Å²	16.2	2%	0.024	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.9	169.5	-78	-115.3	0	0	0	107.8	W241 T243 M443 L444 D445 N447 D450 L463	W241-Y454 AromaticContact CD2-CD1 3.86Å; W241-Y454 HydrophobicContact CD2-CD1 3.86Å; W241-Y454 HydrophobicContact CD2-CE1 4.46Å; W241-Y454 AromaticContact CE2-CD1 3.69Å; W241-Y454 AromaticContact CE3-CD1 3.86Å; W241-Y454 HydrophobicContact CE3-CD1 3.86Å; W241-Y454 AromaticContact CE3-CE1 3.99Å; W241-Y454 HydrophobicContact CE3-CE1 3.99Å; W241-Y454 AromaticContact CH2-CD1 3.55Å; W241-Y454 HydrophobicContact CH2-CD1 3.55Å; W241-Y454 AromaticContact CH2-CE1 3.61Å; W241-Y454 HydrophobicContact CH2-CE1 3.61Å; W241-Y454 AromaticContact CZ2-CD1 3.54Å; W241-Y454 HydrophobicContact CZ2-CD1 3.54Å; W241-Y454 HydrophobicContact CZ2-CE1 4.11Å; W241-Y454 HydrophobicContact CZ2-CG 4.25Å; W241-Y454 AromaticContact CZ3-CD1 3.72Å; W241-Y454 HydrophobicContact CZ3-CD1 3.72Å; W241-Y454 AromaticContact CZ3-CE1 3.55Å; W241-Y454 HydrophobicContact CZ3-CE1 3.55Å; T243-Y454 HydrophobicContact CG2-CE1 4.07Å; T243-Y454 WeakPolarHBondContact CG2-OH 3.34Å; T243-Y454 PolarHBondContact OG1-OH 2.89Å; M443-Y454 VanDerWaalsContact SD-O 3.4Å; L444-Y454 CarbonylContact C-O 3.57Å; L444-Y454 VanDerWaalsContact CA-O 3.3Å; L444-Y454 WeakPolarHBondContact CA-O 3Å; D445-Y454 PolarHBondContact N-O 2.85Å; D445-Y454 PolarHBondContact O-N 3.38Å; N447-Y454 HydrophobicContact CB-CD2 3.81Å; N447-Y454 HydrophobicContact CB-CE2 3.57Å; D450-Y454 PolarHBondContact OD2-OH 2.54Å; Y454-L463 HydrophobicContact CD1-CD2 3.79Å; Y454-L463 HydrophobicContact CD2-CD2 3.57Å; Y454-L463 HydrophobicContact CE1-CD2 3.82Å; Y454-L463 HydrophobicContact CE2-CD2 3.59Å; Y454-L463 HydrophobicContact CG-CD2 3.66Å
455	A	98.3	Very high	94.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.7	179.2	0	0	0	0	0	113	W241 M443 L444 V462 F464	W241-A455 PolarHBondContact NE1-O 2.85Å; M443-A455 WeakPolarHBondContact O-CA 3.49Å; M443-A455 VanDerWaalsContact O-CB 3.28Å; M443-A455 WeakPolarHBondContact O-CB 3.45Å; L444-A455 HydrophobicContact CD1-CB 3.77Å; A455-V462 HydrophobicContact CB-CG2 3.68Å; A455-V462 PolarHBondContact N-O 2.92Å; A455-V462 PolarHBondContact O-N 3.14Å; A455-F464 HydrophobicContact CB-CD2 4.31Å; A455-F464 HydrophobicContact CB-CE2 3.87Å
456	W	98.5	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114	164.6	-166.8	-74.9	0	0	0	109	T236 R237 F238 G239 Y256 I441 S442 M443 Q461	T236-W456 VanDerWaalsContact O-CZ2 3.32Å; T236-W456 WeakPolarHBondContact O-CZ2 3.3Å; T236-W456 PolarHBondContact O-NE1 2.86Å; R237-W456 VanDerWaalsContact O-CD1 3.26Å; R237-W456 PolarHBondContact O-NE1 2.74Å; R237-W456 VanDerWaalsContact O-NE1 3.08Å; F238-W456 VanDerWaalsContact C-CE2 3.5Å; G239-W456 VanDerWaalsContact C-CD2 3.5Å; G239-W456 WeakPolarHBondContact O-CB 3.23Å; Y256-W456 HydrophobicContact CD2-CH2 4.35Å; Y256-W456 AromaticContact CD2-CZ3 3.88Å; Y256-W456 HydrophobicContact CD2-CZ3 3.88Å; Y256-W456 HydrophobicContact CE1-CH2 4.43Å; Y256-W456 AromaticContact CE2-CH2 3.42Å; Y256-W456 HydrophobicContact CE2-CH2 3.42Å; Y256-W456 VanDerWaalsContact CE2-CH2 3.42Å; Y256-W456 AromaticContact CE2-CZ3 3.34Å; Y256-W456 HydrophobicContact CE2-CZ3 3.34Å; Y256-W456 AromaticContact CZ-CH2 3.47Å; Y256-W456 VanDerWaalsContact CZ-CH2 3.47Å; Y256-W456 AromaticContact CZ-CZ3 3.86Å; Y256-W456 VanDerWaalsContact OH-CH2 3.31Å; Y256-W456 WeakPolarHBondContact OH-CH2 3.35Å; I441-W456 WeakPolarHBondContact CA-O 3.26Å; S442-W456 PolarHBondContact N-O 3.29Å; M443-W456 HydrophobicContact CB-CB 3.88Å; M443-W456 PolarHBondContact O-N 3.46Å; M443-W456 VanDerWaalsContact O-N 3.11Å; W456-Q461 HydrophobicContact CE3-CG 4.02Å; W456-Q461 VanDerWaalsContact CH2-NE2 3.32Å; W456-Q461 HydrophobicContact CZ3-CG 4.21Å; W456-Q461 VanDerWaalsContact CZ3-NE2 3.25Å
457	N	97.8	Very high	93.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	92.2	-174.7	-161.6	-20.8	0	0	0	109.9	N436 Y438 H440 I441 G459 H460 V462	N436-N457 PolarHBondContact OD1-ND2 3.15Å; N436-N457 PolarHBondContact OD1-OD1 2.94Å; Y438-N457 WeakPolarHBondContact CA-OD1 3.13Å; Y438-N457 VanDerWaalsContact CB-OD1 3.3Å; Y438-N457 WeakPolarHBondContact CB-OD1 3.35Å; Y438-N457 HydrophobicContact CD2-CB 4.17Å; Y438-N457 PolarHBondContact O-OD1 2.85Å; H440-N457 VanDerWaalsContact C-OD1 3.25Å; H440-N457 PolarHBondContact N-OD1 2.98Å; H440-N457 CarbonylContact O-C 3.46Å; H440-N457 WeakPolarHBondContact O-CA 3.48Å; H440-N457 PolarHBondContact O-OD1 3.46Å; H440-N457 VanDerWaalsContact O-OD1 3.05Å; I441-N457 HydrophobicContact CG1-CB 4.27Å; N457-G459 PolarHBondContact O-N 2.77Å; N457-H460 PolarHBondContact N-O 3.36Å; N457-H460 VanDerWaalsContact O-CB 3.26Å; N457-H460 WeakPolarHBondContact O-CB 3.37Å; N457-H460 PolarHBondContact O-N 2.84Å; N457-H460 PolarHBondContact O-ND1 3.35Å; N457-H460 VanDerWaalsContact O-ND1 3.14Å; N457-V462 HydrophobicContact CB-CG1 4.47Å; N457-V462 HydrophobicContact CB-CG2 4.09Å
458	N	97.4	Very high	92.6	Very high	59 Å²	59	23.7 Å²	23.7	32%	0.316	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	50.9	176.9	-163.9	25.8	0	0	0	113.8	R237 Y438 H440 H460	R237-N458 VanDerWaalsContact CG-OD1 3.31Å; R237-N458 WeakPolarHBondContact CG-OD1 3.48Å; Y438-N458 VanDerWaalsContact O-CB 3.29Å; Y438-N458 WeakPolarHBondContact O-CB 3.24Å; Y438-N458 PolarHBondContact O-ND2 3.05Å; H440-N458 HydrophobicContact CB-CB 4.28Å; H440-N458 PolarHBondContact O-N 3.3Å; N458-H460 PolarHBondContact O-CE1 3.2Å; N458-H460 PolarHBondContact O-ND1 3.08Å
459	G	97.7	Very high	91.5	Very high	7 Å²	7	25.4 Å²	25.4	7%	0.072	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	6.9	-177.8	0	0	0	0	0	115.4	S234 T236 R237 N457	S234-G459 PolarHBondContact N-O 2.94Å; S234-G459 VanDerWaalsContact O-O 3.09Å; T236-G459 VanDerWaalsContact O-CA 3.23Å; T236-G459 WeakPolarHBondContact O-CA 3.49Å; R237-G459 PolarHBondContact O-N 3.14Å; N457-G459 PolarHBondContact O-N 2.77Å
460	H	98.4	Very high	90.2	Very high	33 Å²	33	25.2 Å²	25.2	15%	0.153	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.2	176	-54.4	69	0	0	0	109.6	Y438 N457 N458 V462	Y438-H460 AromaticContact CD1-CD2 3.75Å; Y438-H460 AromaticContact CD1-CE1 3.65Å; Y438-H460 AromaticContact CD1-CG 3.87Å; Y438-H460 AromaticContact CD1-ND1 3.78Å; Y438-H460 AromaticContact CD1-NE2 3.63Å; Y438-H460 HydrophobicContact CD2-CB 3.68Å; Y438-H460 AromaticContact CD2-CG 3.71Å; Y438-H460 AromaticContact CE1-CD2 3.37Å; Y438-H460 WeakPolarHBondContact CE1-CD2 3.31Å; Y438-H460 AromaticContact CE1-CE1 3.94Å; Y438-H460 AromaticContact CE1-CG 3.9Å; Y438-H460 AromaticContact CE1-NE2 3.42Å; Y438-H460 WeakPolarHBondContact CE1-NE2 3.29Å; Y438-H460 HydrophobicContact CE2-CB 3.71Å; Y438-H460 AromaticContact CE2-CD2 3.77Å; Y438-H460 AromaticContact CE2-CG 3.74Å; Y438-H460 HydrophobicContact CG-CB 4.2Å; Y438-H460 AromaticContact CG-CG 3.75Å; Y438-H460 AromaticContact CG-ND1 3.71Å; Y438-H460 AromaticContact CZ-CD2 3.35Å; Y438-H460 AromaticContact CZ-CG 3.81Å; Y438-H460 AromaticContact CZ-NE2 3.93Å; N457-H460 PolarHBondContact N-O 3.36Å; N457-H460 VanDerWaalsContact O-CB 3.26Å; N457-H460 WeakPolarHBondContact O-CB 3.37Å; N457-H460 PolarHBondContact O-N 2.84Å; N457-H460 PolarHBondContact O-ND1 3.35Å; N457-H460 VanDerWaalsContact O-ND1 3.14Å; N458-H460 PolarHBondContact O-CE1 3.2Å; N458-H460 PolarHBondContact O-ND1 3.08Å; H460-V462 HydrophobicContact CB-CG1 3.97Å
461	Q	98.3	Very high	88.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113	172.3	-68.9	83.2	46.7	0	0	108.2	V231 K232 S234 W241 Y256 F275 W456	V231-Q461 WeakPolarHBondContact CB-O 3.39Å; V231-Q461 PolarHBondContact N-O 2.89Å; K232-Q461 HydrophobicContact CB-CB 4.34Å; K232-Q461 PolarHBondContact N-O 3.16Å; K232-Q461 PolarHBondContact O-N 2.72Å; K232-Q461 PolarHBondContact O-OE1 2.93Å; S234-Q461 PolarHBondContact O-NE2 2.93Å; W241-Q461 HydrophobicContact CB-CG 4.23Å; W241-Q461 HydrophobicContact CD2-CB 3.75Å; W241-Q461 HydrophobicContact CD2-CG 3.87Å; W241-Q461 HydrophobicContact CE3-CB 4.33Å; W241-Q461 HydrophobicContact CG-CB 4.03Å; W241-Q461 HydrophobicContact CG-CG 3.61Å; W241-Q461 HydrophobicContact CZ2-CB 3.99Å; Y256-Q461 HydrophobicContact CE2-CG 4.49Å; F275-Q461 HydrophobicContact CE1-CB 4.12Å; F275-Q461 HydrophobicContact CE1-CG 4.36Å; F275-Q461 HydrophobicContact CZ-CB 4.13Å; F275-Q461 HydrophobicContact CZ-CG 3.85Å; W456-Q461 HydrophobicContact CE3-CG 4.02Å; W456-Q461 VanDerWaalsContact CH2-NE2 3.32Å; W456-Q461 HydrophobicContact CZ3-CG 4.21Å; W456-Q461 VanDerWaalsContact CZ3-NE2 3.25Å
462	V	97.6	Very high	86.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.1	-171.2	-53	0	0	0	0	111.5	P228 I229 Y438 A455 N457 H460 F464	P228-V462 HydrophobicContact CB-CB 4.12Å; P228-V462 HydrophobicContact CB-CG2 4.38Å; I229-V462 CarbonylContact O-C 3.56Å; I229-V462 VanDerWaalsContact O-CA 3.29Å; I229-V462 WeakPolarHBondContact O-CA 3.48Å; Y438-V462 HydrophobicContact CD2-CG1 4.06Å; Y438-V462 HydrophobicContact CE2-CG1 3.75Å; A455-V462 HydrophobicContact CB-CG2 3.68Å; A455-V462 PolarHBondContact N-O 2.92Å; A455-V462 PolarHBondContact O-N 3.14Å; N457-V462 HydrophobicContact CB-CG1 4.47Å; N457-V462 HydrophobicContact CB-CG2 4.09Å; H460-V462 HydrophobicContact CB-CG1 3.97Å; V462-F464 HydrophobicContact CG2-CD2 4.46Å; V462-F464 HydrophobicContact CG2-CE2 3.72Å; V462-F464 HydrophobicContact CG2-CZ 4.2Å
463	L	96.5	Very high	83.4	Confident	27 Å²	27	36 Å²	36	14%	0.141	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142	174.4	-69	171.6	0	0	0	110.8	P228 I229 V231 W241 A452 L453 Y454	P228-L463 WeakPolarHBondContact CA-O 3.43Å; I229-L463 HydrophobicContact CB-CB 4.47Å; I229-L463 PolarHBondContact N-O 3.23Å; I229-L463 PolarHBondContact O-N 3.05Å; V231-L463 HydrophobicContact CG2-CD1 3.7Å; V231-L463 HydrophobicContact CG2-CG 3.86Å; W241-L463 HydrophobicContact CH2-CD1 4.22Å; W241-L463 HydrophobicContact CH2-CD2 3.69Å; W241-L463 HydrophobicContact CH2-CG 3.75Å; W241-L463 HydrophobicContact CZ2-CD2 3.82Å; W241-L463 HydrophobicContact CZ2-CG 3.99Å; A452-L463 HydrophobicContact CB-CD2 4.38Å; L453-L463 CarbonylContact O-C 3.59Å; L453-L463 WeakPolarHBondContact O-CA 3.4Å; Y454-L463 HydrophobicContact CD1-CD2 3.79Å; Y454-L463 HydrophobicContact CD2-CD2 3.57Å; Y454-L463 HydrophobicContact CE1-CD2 3.82Å; Y454-L463 HydrophobicContact CE2-CD2 3.59Å; Y454-L463 HydrophobicContact CG-CD2 3.66Å
464	F	95.1	Very high	80.3	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.8	165.9	-57	-92.9	0	0	0	110.1	I225 T226 P228 F434 H435 L444 A452 L453 A455 V462	I225-F464 HydrophobicContact CG2-CB 3.51Å; I225-F464 HydrophobicContact CG2-CD1 3.89Å; I225-F464 HydrophobicContact CG2-CG 3.95Å; T226-F464 CarbonylContact O-C 3.5Å; T226-F464 WeakPolarHBondContact O-CA 3.42Å; P228-F464 HydrophobicContact CB-CD1 4.14Å; P228-F464 HydrophobicContact CB-CE1 3.56Å; P228-F464 HydrophobicContact CB-CE2 4.5Å; P228-F464 HydrophobicContact CB-CZ 3.77Å; P228-F464 HydrophobicContact CG-CE1 4.18Å; P228-F464 HydrophobicContact CG-CZ 4.49Å; F434-F464 HydrophobicContact CD2-CE1 4.1Å; F434-F464 HydrophobicContact CD2-CZ 4.12Å; H435-F464 WeakPolarHBondContact O-CE1 3.37Å; L444-F464 HydrophobicContact CD1-CD2 4.29Å; L444-F464 HydrophobicContact CD1-CE2 4.42Å; A452-F464 CarbonylContact C-O 3.51Å; A452-F464 WeakPolarHBondContact CA-O 3.37Å; A452-F464 WeakPolarHBondContact CB-O 3.32Å; L453-F464 HydrophobicContact CB-CB 4.21Å; L453-F464 HydrophobicContact CB-CD2 4.45Å; L453-F464 PolarHBondContact N-O 3.35Å; L453-F464 PolarHBondContact O-N 3.38Å; A455-F464 HydrophobicContact CB-CD2 4.31Å; A455-F464 HydrophobicContact CB-CE2 3.87Å; V462-F464 HydrophobicContact CG2-CD2 4.46Å; V462-F464 HydrophobicContact CG2-CE2 3.72Å; V462-F464 HydrophobicContact CG2-CZ 4.2Å
465	N	85.9	Confident	77.5	Confident	77 Å²	77	47.7 Å²	47.7	41%	0.412	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.5	173.5	-67.9	-19.1	0	0	0	109.7	T226	T226-N465 PolarHBondContact N-O 3.42Å; T226-N465 PolarHBondContact O-N 2.93Å
466	V	87.3	Confident	74.4	Confident	16 Å²	16	54.6 Å²	54.6	10%	0.097	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.4	174.7	-58.3	0	0	0	0	111.6	L222 I225 Y446 R451 L453 L468	L222-V466 HydrophobicContact CD1-CB 3.71Å; L222-V466 HydrophobicContact CD1-CG1 3.9Å; I225-V466 HydrophobicContact CG1-CG1 4.49Å; Y446-V466 HydrophobicContact CD2-CG2 4.44Å; Y446-V466 HydrophobicContact CE2-CG2 3.71Å; R451-V466 HydrophobicContact CB-CG2 4.23Å; R451-V466 VanDerWaalsContact O-CG2 3.29Å; R451-V466 WeakPolarHBondContact O-CG2 3.44Å; R451-V466 PolarHBondContact O-N 3.02Å; L453-V466 HydrophobicContact CD1-CG1 3.98Å; L453-V466 HydrophobicContact CD2-CG1 4.37Å; L453-V466 HydrophobicContact CG-CG1 3.73Å; V466-L468 HydrophobicContact CB-CD2 4.39Å; V466-L468 HydrophobicContact CG2-CD2 4.02Å; V466-L468 HydrophobicContact CG2-CG 4.28Å
467	T	78.3	Confident	71.2	Confident	73 Å²	73	61.6 Å²	61.6	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.2	168.8	-53.5	0	0	0	0	108.1	M223 K224	M223-T467 PolarHBondContact N-O 2.86Å; K224-T467 PolarHBondContact N-O 3.01Å; K224-T467 PolarHBondContact O-N 2.93Å
468	L	81.1	Confident	68.1	Low	22 Å²	22	71.4 Å²	71.4	12%	0.115	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	149	179.8	-52.5	-176.9	0	0	0	110	K221 L222 I400 V466	K221-L468 CarbonylContact O-C 3.45Å; K221-L468 WeakPolarHBondContact O-CA 3.49Å; L222-L468 HydrophobicContact CB-CD2 4.32Å; L222-L468 HydrophobicContact CD1-CD2 4.05Å; I400-L468 HydrophobicContact CD1-CD2 4.07Å; I400-L468 HydrophobicContact CG2-CD1 3.83Å; I400-L468 HydrophobicContact CG2-CD2 3.96Å; V466-L468 HydrophobicContact CB-CD2 4.39Å; V466-L468 HydrophobicContact CG2-CD2 4.02Å; V466-L468 HydrophobicContact CG2-CG 4.28Å
469	F	67.2	Low	66.6	Low	58 Å²	58	72 Å²	72	25%	0.254	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.5	175.5	177	-106.3	0	0	0	109.9	L156 V159 G220 K221 M223 V471	L156-F469 HydrophobicContact CD2-CE2 4.26Å; V159-F469 HydrophobicContact CB-CE2 4.26Å; V159-F469 HydrophobicContact CB-CZ 4.35Å; V159-F469 HydrophobicContact CG1-CE2 3.69Å; V159-F469 HydrophobicContact CG1-CZ 4.14Å; V159-F469 HydrophobicContact CG2-CE1 4.37Å; V159-F469 HydrophobicContact CG2-CE2 3.59Å; V159-F469 HydrophobicContact CG2-CZ 3.26Å; G220-F469 CarbonylContact C-O 3.48Å; G220-F469 WeakPolarHBondContact CA-O 3.47Å; K221-F469 PolarHBondContact N-O 2.76Å; K221-F469 PolarHBondContact O-N 3.34Å; M223-F469 HydrophobicContact CG-CB 3.31Å; M223-F469 HydrophobicContact CG-CG 4.28Å; M223-F469 HydrophobicContact SD-CB 3.8Å; M223-F469 HydrophobicContact SD-CG 4.33Å; F469-V471 HydrophobicContact CD1-CG2 3.4Å; F469-V471 VanDerWaalsContact CD1-CG2 3.4Å; F469-V471 HydrophobicContact CE1-CG2 3.47Å; F469-V471 VanDerWaalsContact CE1-CG2 3.47Å; F469-V471 PolarHBondContact O-N 3.5Å
470	H	58.6	Low	65	Low	50 Å²	50	75.4 Å²	75.4	23%	0.231	40%	0.399	C	S	.	.			trans	-78	104.2	-178.5	-63.4	-76.6	0	0	0	109.4	L217 C219	L217-H470 PolarHBondContact O-CE1 3.01Å; C219-H470 PolarHBondContact O-CE1 2.85Å; C219-H470 PolarHBondContact O-ND1 2.93Å
471	V	42.9	Very low	63.1	Low	89 Å²	89	77.8 Å²	77.8	54%	0.539	41%	0.413	S	S	.	.			trans	-96.2	97.1	167.9	-172.6	0	0	0	0	107.2	F469	F469-V471 HydrophobicContact CD1-CG2 3.4Å; F469-V471 VanDerWaalsContact CD1-CG2 3.4Å; F469-V471 HydrophobicContact CE1-CG2 3.47Å; F469-V471 VanDerWaalsContact CE1-CG2 3.47Å; F469-V471 PolarHBondContact O-N 3.5Å
472	I	42.4	Very low	61.1	Low	62 Å²	62	82.4 Å²	82.4	32%	0.318	44%	0.437	S	S	.	.			trans	-94.1	107.6	169.9	-55.9	174.4	0	0	0	106.8	Q162 D166	Q162-I472 HydrophobicContact CG-CB 3.82Å; Q162-I472 HydrophobicContact CG-CD1 4.26Å; Q162-I472 HydrophobicContact CG-CG1 4.44Å; D166-I472 VanDerWaalsContact CG-CD1 3.42Å; D166-I472 WeakPolarHBondContact OD1-CD1 3.34Å; D166-I472 WeakPolarHBondContact OD2-CD1 3.24Å
473	K	36.2	Very low	58.8	Low	175 Å²	175	87.5 Å²	87.5	76%	0.761	46%	0.464	S	S	*	.			trans	-75.9	121.3	161.8	-73.1	-171.9	172.9	-169.6	0	107.3
474	T	33.2	Very low	56.3	Low	71 Å²	71	91.5 Å²	91.5	44%	0.436	49%	0.486	S	S	.	.			trans	-61.7	139.7	163.4	41.9	0	0	0	0	108.4	D476	T474-D476 PolarHBondContact O-N 2.99Å
475	E	38	Very low	53.5	Low	181 Å²	181	98 Å²	98	85%	0.846	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	8.4	179.2	-81.8	174.5	165.4	0	0	113.8
476	D	34.3	Very low	51	Low	146 Å²	146	99.6 Å²	99.6	78%	0.781	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	11.2	-175.8	-70.5	-24.8	0	0	0	114.9	T474	T474-D476 PolarHBondContact O-N 2.99Å
477	D	30.2	Very low	48	Very low	147 Å²	147	106.6 Å²	106.6	79%	0.786	56%	0.564	S	S	*	*			trans	-109.8	51.5	176	-80.5	-17.1	0	0	0	112.7
478	T	33.3	Very low	45.2	Very low	205 Å²	205	109.6 Å²	109.6	100%	1.258	58%	0.575	S	S	*	*			trans	-125.8	0	158	51.7	0	0	0	0	111.6

Retrieved 478 of 478 residues in 337.1 ms (Link to these results)

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