A0A096NAM9_PAPAN Loading...

FAM111 trypsin like peptidase A

AlphaFold DB , UniProt , Accession A0A096NAM9, Species PAPAN (Papio anubis, Olive baboon), Gene FAM111A, Length 611 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31	Very low	26.4	Very low	246 Å²	246	181.3 Å²	181.3	100%	1.212	89%	0.885	S	S	*	*				0	153.1	0	-77.9	-166.2	-78.3	0	0	109.7
2	S	27.8	Very low	26.1	Very low	113 Å²	113	175.5 Å²	175.5	79%	0.79	88%	0.876	S	S	*	*			trans	63	88.9	170	-154.9	0	0	0	0	118.4
3	C	24.8	Very low	26.1	Very low	124 Å²	124	172.2 Å²	172.2	84%	0.838	87%	0.871	S	S	*	*			trans	-73.4	130.4	160.6	-52.4	0	0	0	0	110.3
4	K	29	Very low	26	Very low	204 Å²	204	168.8 Å²	168.8	89%	0.887	86%	0.856	S	S	*	*			trans	-97.2	109	159.6	-81.7	-174.2	176	178.7	0	109.5	Q6	K4-Q6 PolarHBondContact O-N 3.07Å
5	K	28.6	Very low	25.9	Very low	205 Å²	205	169.9 Å²	169.9	89%	0.891	86%	0.857	S	S	*	*			trans	-66.3	115.3	172.3	-70.1	178.8	175.5	179.8	0	109.4
6	Q	25.8	Very low	25.9	Very low	195 Å²	195	170.2 Å²	170.2	91%	0.911	85%	0.851	S	S	*	*			trans	-76.5	133	161.1	-123.4	169.4	-9.8	0	0	108.3	K4 S8	K4-Q6 PolarHBondContact O-N 3.07Å; Q6-S8 PolarHBondContact O-N 3.19Å
7	R	24.1	Very low	26.1	Very low	243 Å²	243	165.9 Å²	165.9	92%	0.917	84%	0.839	S	S	*	*			trans	-66.1	127.5	-178.4	-84	174.5	163.3	166	-7.5	109.9	Q9	R7-Q9 PolarHBondContact O-N 3.08Å
8	S	25.4	Very low	26.3	Very low	110 Å²	110	163.3 Å²	163.3	77%	0.769	83%	0.828	S	S	*	*			trans	-60.1	113.8	160.9	52.9	0	0	0	0	109.4	Q6 K10	Q6-S8 PolarHBondContact O-N 3.19Å; S8-K10 PolarHBondContact O-N 3.19Å; S8-K10 VanDerWaalsContact O-N 3.12Å
9	Q	24.6	Very low	26.9	Very low	181 Å²	181	161 Å²	161	85%	0.846	82%	0.816	S	S	*	*			trans	-67.5	106.8	162.1	-81.5	175.3	-51	0	0	107.5	R7 H11	R7-Q9 PolarHBondContact O-N 3.08Å; Q9-H11 PolarHBondContact O-N 2.86Å
10	K	25.1	Very low	27.2	Very low	191 Å²	191	159.4 Å²	159.4	83%	0.83	80%	0.803	S	S	*	*			trans	-64	119.1	159.1	-79.4	-173.8	169.6	-169.9	0	106.6	S8 S12	S8-K10 PolarHBondContact O-N 3.19Å; S8-K10 VanDerWaalsContact O-N 3.12Å; K10-S12 PolarHBondContact O-N 2.88Å
11	H	24.3	Very low	27.9	Very low	182 Å²	182	153.3 Å²	153.3	84%	0.843	77%	0.772	S	S	*	*			trans	-63.2	107.2	159.4	-79.2	-89.7	0	0	0	107.1	Q9 V13	Q9-H11 PolarHBondContact O-N 2.86Å; H11-V13 PolarHBondContact O-N 2.97Å
12	S	23.4	Very low	28.2	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	74%	0.742	S	S	*	*			trans	-74.5	105.7	168.6	51.1	0	0	0	0	107.8	K10 N14	K10-S12 PolarHBondContact O-N 2.88Å; S12-N14 PolarHBondContact O-N 2.9Å
13	V	25.5	Very low	28.8	Very low	133 Å²	133	147 Å²	147	81%	0.806	73%	0.731	S	S	*	*			trans	-55.7	129.9	164.9	178.5	0	0	0	0	107.4	H11 E15	H11-V13 PolarHBondContact O-N 2.97Å; V13-E15 PolarHBondContact O-N 2.77Å
14	N	24.2	Very low	29.3	Very low	124 Å²	124	144 Å²	144	66%	0.663	70%	0.702	S	S	*	*			trans	-81.2	106.6	-172	-169.7	13.9	0	0	0	109.2	S12 K16	S12-N14 PolarHBondContact O-N 2.9Å; N14-K16 PolarHBondContact O-N 3.41Å
15	E	25.5	Very low	29.6	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	67%	0.669	S	S	*	*			trans	-71	39.6	-177.2	-62.1	177.3	145.8	0	0	113.6	V13	V13-E15 PolarHBondContact O-N 2.77Å
16	K	25.7	Very low	29.7	Very low	174 Å²	174	131.5 Å²	131.5	76%	0.757	66%	0.661	S	S	*	*			trans	-131.1	50.9	-175.8	-76.3	-168.8	173.8	-176.8	0	113.3	N14	N14-K16 PolarHBondContact O-N 3.41Å
17	C	28.4	Very low	29.8	Very low	97 Å²	97	128 Å²	128	66%	0.655	66%	0.655	S	S	*	*			trans	-117.3	48.3	166.9	-66.6	0	0	0	0	111.6	M19	C17-M19 PolarHBondContact O-N 2.9Å
18	N	30.3	Very low	30.1	Very low	119 Å²	119	123.1 Å²	123.1	64%	0.636	65%	0.652	S	S	*	*			trans	-86.1	95.5	164.1	-76.8	-52.6	0	0	0	108.4	N563	N18-N563 PolarHBondContact OD1-ND2 2.98Å
19	M	37.3	Very low	30.1	Very low	120 Å²	120	123.1 Å²	123.1	59%	0.591	65%	0.652	S	S	*	*			trans	-122.6	146.5	176	-62.6	-174.1	80.4	0	0	110.4	C17	C17-M19 PolarHBondContact O-N 2.9Å
20	K	33.8	Very low	30.6	Very low	128 Å²	128	124.2 Å²	124.2	56%	0.557	65%	0.654	S	S	*	*			trans	-102.1	160.6	-162.2	-65.5	178.5	177.9	180	0	113.2	D22	K20-D22 HydrophobicContact CB-CB 4.37Å; K20-D22 WeakPolarHBondContact CD-OD2 2.98Å; K20-D22 IonicContact NZ-OD2 3.11Å; K20-D22 PolarHBondContact O-N 2.69Å
21	I	41.7	Very low	30.7	Very low	33 Å²	33	124.2 Å²	124.2	17%	0.169	65%	0.654	C	S	.	*	G	3₁₀ helix	trans	-56.7	-14.2	169.5	-84.6	160.8	0	0	0	114.5	H23 Y24 F25 Y515 G559 F560	I21-H23 PolarHBondContact O-N 3.1Å; I21-Y24 PolarHBondContact O-N 3Å; I21-F25 HydrophobicContact CG2-CD2 4.07Å; I21-F25 HydrophobicContact CG2-CE2 4.3Å; I21-Y515 HydrophobicContact CB-CE1 4.47Å; I21-Y515 HydrophobicContact CD1-CE1 3.72Å; I21-Y515 WeakPolarHBondContact CD1-OH 3.39Å; I21-G559 WeakPolarHBondContact CD1-O 3.47Å; I21-F560 HydrophobicContact CD1-CB 4.2Å; I21-F560 HydrophobicContact CD1-CD1 3.45Å; I21-F560 VanDerWaalsContact CD1-CD1 3.45Å; I21-F560 HydrophobicContact CD1-CE1 3.91Å; I21-F560 HydrophobicContact CD1-CG 3.85Å; I21-F560 HydrophobicContact CG2-CE1 4.3Å
22	D	36.7	Very low	30.9	Very low	106 Å²	106	124.1 Å²	124.1	57%	0.567	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-56.2	-14.1	-176	-57.6	-24.7	0	0	0	114.3	K20	K20-D22 HydrophobicContact CB-CB 4.37Å; K20-D22 WeakPolarHBondContact CD-OD2 2.98Å; K20-D22 IonicContact NZ-OD2 3.11Å; K20-D22 PolarHBondContact O-N 2.69Å
23	H	40.4	Very low	31	Very low	120 Å²	120	126.8 Å²	126.8	56%	0.556	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-83.2	-22.8	173.7	-66.2	-83.5	0	0	0	114.9	I21	I21-H23 PolarHBondContact O-N 3.1Å
24	Y	36.2	Very low	30.9	Very low	62 Å²	62	128.5 Å²	128.5	24%	0.243	66%	0.658	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-21.6	179.6	-164.7	-82.5	0	0	0	111.9	I21 D439 V557 F574	I21-Y24 PolarHBondContact O-N 3Å; Y24-D439 HydrophobicContact CE2-CB 4.11Å; Y24-V557 HydrophobicContact CE2-CG1 3.85Å; Y24-F574 HydrophobicContact CD1-CZ 4.49Å; Y24-F574 HydrophobicContact CD2-CZ 4.34Å; Y24-F574 HydrophobicContact CE1-CE2 4.3Å; Y24-F574 HydrophobicContact CE1-CZ 4.11Å; Y24-F574 AromaticContact CE2-CE2 3.98Å; Y24-F574 HydrophobicContact CE2-CE2 3.98Å; Y24-F574 AromaticContact CE2-CZ 3.91Å; Y24-F574 HydrophobicContact CE2-CZ 3.91Å; Y24-F574 AromaticContact CZ-CE2 3.7Å; Y24-F574 AromaticContact CZ-CZ 3.81Å
25	F	35.6	Very low	31	Very low	42 Å²	42	129.3 Å²	129.3	18%	0.184	66%	0.663	C	S	.	*	S	Bend	trans	-130.6	82.6	-178.8	-57.4	-57.7	0	0	0	111.8	I21 E522 I523 F560	I21-F25 HydrophobicContact CG2-CD2 4.07Å; I21-F25 HydrophobicContact CG2-CE2 4.3Å; F25-E522 HydrophobicContact CD1-CB 4.2Å; F25-E522 HydrophobicContact CD1-CG 4.12Å; F25-E522 VanDerWaalsContact CD1-OE1 3.23Å; F25-E522 WeakPolarHBondContact CD1-OE1 3.39Å; F25-E522 WeakPolarHBondContact CD1-OE2 2.92Å; F25-E522 HydrophobicContact CE1-CB 3.32Å; F25-E522 HydrophobicContact CE1-CG 3.74Å; F25-E522 WeakPolarHBondContact CE1-OE2 3.49Å; F25-E522 HydrophobicContact CZ-CB 3.67Å; F25-E522 HydrophobicContact CZ-CG 4.32Å; F25-I523 HydrophobicContact CZ-CD1 4.01Å; F25-F560 HydrophobicContact CE2-CZ 4.28Å
26	S	29.4	Very low	31	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-67.1	133.2	177	-80	0	0	0	0	112.5	V28	S26-V28 PolarHBondContact O-N 3.01Å
27	P	29.3	Very low	30.9	Very low	122 Å²	122	123.2 Å²	123.2	79%	0.792	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-68	129.4	-178.8	-20.9	32.6	0	0	0	113.8	S29	P27-S29 PolarHBondContact O-N 2.98Å
28	V	28.4	Very low	30.8	Very low	139 Å²	139	125 Å²	125	84%	0.842	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-56.3	117.7	177	178.5	0	0	0	0	111.9	S26 K30	S26-V28 PolarHBondContact O-N 3.01Å; V28-K30 PolarHBondContact O-N 3.06Å
29	S	27.4	Very low	30.4	Very low	110 Å²	110	125.1 Å²	125.1	77%	0.769	68%	0.681	S	S	*	*			trans	-70.1	108.2	174.6	59.5	0	0	0	0	111.3	P27 K31	P27-S29 PolarHBondContact O-N 2.98Å; S29-K31 PolarHBondContact O-N 3.04Å
30	K	33.2	Very low	29.8	Very low	204 Å²	204	127.3 Å²	127.3	89%	0.887	69%	0.69	S	S	*	*			trans	-64.1	122.8	171.9	-70.2	177.5	178.2	174.6	0	111.1	V28	V28-K30 PolarHBondContact O-N 3.06Å
31	K	28.1	Very low	29.2	Very low	192 Å²	192	128.4 Å²	128.4	84%	0.835	70%	0.699	S	S	*	*			trans	-129.3	110.2	154.2	-90.1	-171.9	175.7	177.1	0	112.5	S29	S29-K31 PolarHBondContact O-N 3.04Å
32	Q	27.5	Very low	28.3	Very low	179 Å²	179	137 Å²	137	84%	0.836	73%	0.729	S	S	*	*			trans	45.2	107.4	150.5	-75.4	169.9	-48	0	0	119.8
33	Q	26.4	Very low	27.7	Very low	168 Å²	168	139.8 Å²	139.8	79%	0.785	74%	0.741	S	S	*	*			trans	-48.6	142.4	141.1	-63.8	163.5	-55.5	0	0	110.7
34	N	24.1	Very low	27	Very low	169 Å²	169	142.2 Å²	142.2	90%	0.904	75%	0.752	S	S	*	*			trans	-137.1	123.7	142.5	-115.7	-14.1	0	0	0	108.3
35	N	26.3	Very low	26.5	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	78%	0.779	S	S	*	*			trans	-84.2	139.4	-179.3	-62.2	-38.4	0	0	0	109.9
36	S	24.2	Very low	26.1	Very low	126 Å²	126	154.7 Å²	154.7	88%	0.881	82%	0.815	S	S	*	*			trans	-145.1	130.8	143.2	58.1	0	0	0	0	109.5
37	S	25.1	Very low	25.8	Very low	105 Å²	105	161.8 Å²	161.8	73%	0.734	83%	0.826	S	S	*	*			trans	-113.4	158.9	-171.4	53.6	0	0	0	0	111.5
38	T	24.5	Very low	25.7	Very low	135 Å²	135	159.4 Å²	159.4	83%	0.828	82%	0.824	S	S	*	*			trans	71	117.7	160.5	11.3	0	0	0	0	118.7
39	S	22.6	Very low	25.9	Very low	122 Å²	122	158.6 Å²	158.6	85%	0.853	82%	0.821	S	S	*	*				-161.6	172.7	114.7	-161	0	0	0	0	111.2
40	Q	25.3	Very low	25.9	Very low	165 Å²	165	163.6 Å²	163.6	77%	0.771	82%	0.823	S	S	*	*			trans	-107.8	173.9	-161.4	-55.5	172.3	-51.8	0	0	115.2
41	M	20.4	Very low	25.5	Very low	152 Å²	152	159.8 Å²	159.8	75%	0.749	81%	0.812	S	S	*	*			trans	90.5	132.1	149.2	-75.9	-179.6	64.2	0	0	121.5
42	R	23.7	Very low	25.4	Very low	214 Å²	214	156 Å²	156	81%	0.808	81%	0.805	S	S	*	*			trans	21.7	143.9	138.5	-63.2	-178.2	173	177.1	-3.7	118.1
43	M	23	Very low	25.2	Very low	164 Å²	164	152.9 Å²	152.9	81%	0.808	80%	0.799	S	S	*	*				-168.6	-177.4	50.7	-155.7	156.5	166.8	0	0	112.9
44	E	25.6	Very low	25.1	Very low	170 Å²	170	151.3 Å²	151.3	79%	0.794	80%	0.796	S	S	*	*			trans	-70.1	154.9	-175.8	-51.7	159	108.3	0	0	116.2
45	S	26.4	Very low	25.2	Very low	115 Å²	115	149.1 Å²	149.1	80%	0.804	79%	0.789	S	S	*	*			trans	-155.8	129.9	140.1	62.6	0	0	0	0	108.2
46	R	26.4	Very low	25.1	Very low	252 Å²	252	151 Å²	151	95%	0.951	79%	0.793	S	S	*	*				76.5	142.4	61.4	-80.7	-166.6	176.1	-164.7	0.9	115.1
47	R	24.2	Very low	25.2	Very low	253 Å²	253	149 Å²	149	96%	0.955	78%	0.784	S	S	*	*			trans	-89.6	145.9	-156.1	-66.7	174.9	169.4	-173.9	-3.9	116
48	G	25.9	Very low	25.2	Very low	72 Å²	72	151.3 Å²	151.3	74%	0.742	78%	0.783	S	S	*	*			trans	79	169.4	137.9	0	0	0	0	0	118.1
49	P	33.1	Very low	25.2	Very low	121 Å²	121	151.3 Å²	151.3	79%	0.786	77%	0.774	S	S	*	*			cis	-130.8	167.5	11.5	41.5	-25.6	0	0	0	117.5
50	R	27.4	Very low	25.2	Very low	215 Å²	215	152.5 Å²	152.5	81%	0.811	76%	0.763	S	S	*	*			trans	0.9	153.1	136.9	-78.9	-173.4	-66.6	-137.3	2.7	119.8
51	D	24.4	Very low	25.3	Very low	124 Å²	124	152.8 Å²	152.8	66%	0.663	76%	0.764	S	S	*	*			cis	-163	156.2	20.5	-108.9	-24.9	0	0	0	113.4
52	V	27.2	Very low	25.5	Very low	114 Å²	114	150.8 Å²	150.8	69%	0.691	77%	0.765	S	S	*	*			trans	56.9	130.7	137.8	-177.4	0	0	0	0	119
53	T	23.8	Very low	25.6	Very low	113 Å²	113	149.1 Å²	149.1	69%	0.693	77%	0.772	S	S	*	*				-171.2	145.7	67.2	-24.5	0	0	0	0	114
54	N	24.4	Very low	25.9	Very low	135 Å²	135	150.2 Å²	150.2	72%	0.722	77%	0.772	S	S	*	*			trans	34.1	149.7	145.8	-55.6	-4.1	0	0	0	121.8
55	T	25.8	Very low	26	Very low	123 Å²	123	152 Å²	152	76%	0.755	78%	0.777	S	S	*	*			cis	-157.7	135.5	33	-40.8	0	0	0	0	107.2
56	Q	24.8	Very low	26.1	Very low	181 Å²	181	153.9 Å²	153.9	85%	0.846	78%	0.778	S	S	*	*				75.4	147.8	55.4	-133	-175.9	23.9	0	0	115.4
57	A	24.4	Very low	26.7	Very low	84 Å²	84	147.3 Å²	147.3	69%	0.694	77%	0.768	S	S	*	*			trans	85.8	137.7	-179.4	0	0	0	0	0	117.2
58	Q	25.9	Very low	27.2	Very low	153 Å²	153	144.6 Å²	144.6	72%	0.715	77%	0.766	S	S	*	*			cis	-158.8	163.3	-21.4	-130.3	167.4	-39.9	0	0	113.3
59	E	23.8	Very low	27.4	Very low	136 Å²	136	147.9 Å²	147.9	64%	0.636	77%	0.767	S	S	*	*			trans	-30.4	161.4	163.4	-60.5	162.4	122.6	0	0	116.8
60	F	23.4	Very low	27.6	Very low	146 Å²	146	151.8 Å²	151.8	64%	0.64	78%	0.775	S	S	*	*				-160.2	169.6	54	-73.8	-81.4	0	0	0	111.1
61	H	27.6	Very low	28.4	Very low	171 Å²	171	146.5 Å²	146.5	79%	0.792	77%	0.767	S	S	*	*			cis	-147.6	149.2	2	-118.3	-53	0	0	0	109.1
62	S	24.2	Very low	29.4	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	77%	0.774	S	S	*	*			trans	-104.9	142.5	177.4	52.8	0	0	0	0	113.1
63	L	26.5	Very low	30.7	Very low	180 Å²	180	147.4 Å²	147.4	94%	0.942	77%	0.769	S	S	*	*			trans	-94.9	121.5	170.6	-124.3	136.4	0	0	0	109.6
64	K	28.2	Very low	33.1	Very low	186 Å²	186	148.3 Å²	148.3	81%	0.809	76%	0.763	S	S	*	*			trans	-65.6	141.2	-172.6	-66	174	177.6	175.3	0	112.5
65	K	29.3	Very low	35.8	Very low	209 Å²	209	146.6 Å²	146.6	91%	0.909	75%	0.754	S	S	*	*			trans	-122	140.5	148.8	-84.2	-171.1	173.5	-177.2	0	109.1
66	N	27	Very low	38.6	Very low	153 Å²	153	143 Å²	143	82%	0.818	73%	0.727	S	S	*	*			trans	-74.4	156.5	-177.5	-70.5	-16.1	0	0	0	111.9
67	P	40	Very low	41.5	Very low	115 Å²	115	138 Å²	138	75%	0.747	71%	0.705	S	S	*	*			trans	-93.5	118.4	177.4	34.4	-29	0	0	0	111.8
68	E	33.2	Very low	44.5	Very low	195 Å²	195	134 Å²	134	91%	0.911	67%	0.672	S	S	*	*			trans	-158.6	156.4	162.7	-113.3	151.4	-145	0	0	110.7
69	D	30.3	Very low	47.5	Very low	142 Å²	142	129.4 Å²	129.4	76%	0.759	65%	0.652	S	S	*	*			trans	62.5	77.2	-175.5	-79.6	-5.3	0	0	0	119.3	T71	D69-T71 VanDerWaalsContact C-N 3.3Å; D69-T71 PolarHBondContact O-N 2.86Å
70	Q	38.5	Very low	50.7	Low	202 Å²	202	123 Å²	123	94%	0.944	62%	0.622	S	S	*	*			trans	-76.5	79.5	147.2	-69.4	-172.9	21.1	0	0	110.5	M72	Q70-M72 PolarHBondContact O-N 2.84Å
71	T	43	Very low	53.8	Low	105 Å²	105	116.5 Å²	116.5	64%	0.644	60%	0.595	S	S	*	*			trans	-67.8	123.2	169.5	46.3	0	0	0	0	111.1	D69	D69-T71 VanDerWaalsContact C-N 3.3Å; D69-T71 PolarHBondContact O-N 2.86Å
72	M	46.7	Very low	56.5	Low	164 Å²	164	108.4 Å²	108.4	81%	0.808	56%	0.557	S	S	*	*			trans	-50.5	143.2	171.6	-71.7	-76.5	-78.9	0	0	111.8	Q70 K74	Q70-M72 PolarHBondContact O-N 2.84Å; M72-K74 PolarHBondContact O-N 3.35Å
73	P	54.4	Low	59.3	Low	92 Å²	92	106.6 Å²	106.6	60%	0.597	54%	0.539	S	S	*	.			trans	-65.1	110.3	179.8	26.4	-33.7	0	0	0	110.7
74	K	74.1	Confident	61.6	Low	132 Å²	132	98.3 Å²	98.3	57%	0.574	50%	0.496	S	S	*	.			trans	-69.6	139.3	176.2	-65.3	176.1	-176.2	175.2	0	110.3	M72 E100	M72-K74 PolarHBondContact O-N 3.35Å; K74-E100 HydrophobicContact CB-CG 4Å; K74-E100 WeakPolarHBondContact CB-OE2 3.23Å; K74-E100 PolarHBondContact O-N 2.99Å
75	N	81.2	Confident	63.1	Low	99 Å²	99	96.4 Å²	96.4	53%	0.529	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.3	176	-69.5	-35.3	0	0	0	109.8	T97 H98 S99	N75-T97 HydrophobicContact CB-CG2 3.91Å; N75-H98 CarbonylContact C-O 3.52Å; N75-H98 VanDerWaalsContact CA-O 3.31Å; N75-H98 WeakPolarHBondContact CA-O 3.47Å; N75-S99 WeakPolarHBondContact OD1-CA 3.25Å; N75-S99 PolarHBondContact OD1-N 2.95Å
76	R	84.3	Confident	64.5	Low	48 Å²	48	94.4 Å²	94.4	18%	0.181	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.9	175.2	-71	-83.3	158.7	178.6	-12.8	110.3	T97 H98 E100 L144 F147	R76-T97 WeakPolarHBondContact O-CA 3.41Å; R76-H98 PolarHBondContact N-O 2.7Å; R76-H98 PolarHBondContact O-N 3.01Å; R76-H98 VanDerWaalsContact O-N 3.07Å; R76-E100 HydrophobicContact CG-CG 3.5Å; R76-E100 VanDerWaalsContact CG-CG 3.5Å; R76-E100 IonicContact CZ-OE1 3.53Å; R76-E100 IonicContact NE-OE1 3.37Å; R76-E100 PolarHBondContact NE-OE1 2.84Å; R76-E100 IonicContact NH2-OE1 3.44Å; R76-E100 PolarHBondContact NH2-OE1 2.84Å; R76-L144 HydrophobicContact CB-CB 4.3Å; R76-L144 HydrophobicContact CB-CD1 4.3Å; R76-L144 HydrophobicContact CG-CB 4.3Å; R76-F147 PolarHBondContact NH1-O 2.85Å
77	I	85.6	Confident	65.8	Low	75 Å²	75	98.8 Å²	98.8	39%	0.385	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.4	175	-54.6	179.9	0	0	0	108.5	E95 L96 T97	I77-E95 HydrophobicContact CG2-CG 3.55Å; I77-L96 CarbonylContact C-O 3.53Å; I77-L96 WeakPolarHBondContact CA-O 3.43Å; I77-T97 HydrophobicContact CG1-CG2 4.38Å
78	I	88.2	Confident	66.8	Low	1 Å²	1	101.8 Å²	101.8	1%	0.005	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.3	179.6	-56.4	176.3	0	0	0	108.4	V80 L96 L104 L144 F147 V153	I78-V80 HydrophobicContact CG2-CG2 4.04Å; I78-L96 HydrophobicContact CB-CB 4.48Å; I78-L96 HydrophobicContact CB-CD2 4.46Å; I78-L96 PolarHBondContact N-O 3.37Å; I78-L96 WeakPolarHBondContact O-CB 3.5Å; I78-L96 PolarHBondContact O-N 2.72Å; I78-L104 HydrophobicContact CD1-CD1 4.32Å; I78-L144 HydrophobicContact CD1-CD1 3.9Å; I78-L144 HydrophobicContact CD1-CD2 3.57Å; I78-L144 HydrophobicContact CD1-CG 4.35Å; I78-F147 HydrophobicContact CD1-CD1 4.08Å; I78-F147 HydrophobicContact CD1-CE1 4.18Å; I78-F147 HydrophobicContact CD1-CG 4.45Å; I78-F147 HydrophobicContact CG1-CD1 4.5Å; I78-V153 HydrophobicContact CG2-CG1 4.35Å; I78-V153 HydrophobicContact CG2-CG2 3.96Å
79	L	89	Confident	68	Low	57 Å²	57	93.9 Å²	93.9	30%	0.298	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.3	167.8	-63.3	173.1	0	0	0	108.4	E95 C151 H152 V153	L79-E95 HydrophobicContact CD2-CB 4.18Å; L79-E95 HydrophobicContact CD2-CG 4.15Å; L79-C151 PolarHBondContact N-O 2.82Å; L79-H152 HydrophobicContact CB-CB 4.28Å; L79-H152 CarbonylContact O-C 3.45Å; L79-H152 WeakPolarHBondContact O-CA 3.38Å; L79-H152 PolarHBondContact O-CD2 3.03Å; L79-V153 PolarHBondContact O-N 2.8Å
80	V	89.1	Confident	69.5	Low	0 Å²	0	91.5 Å²	91.5	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.1	-177.9	-177.6	0	0	0	0	109.3	I78 L82 K93 H94 L96 L111 V153 I155	I78-V80 HydrophobicContact CG2-CG2 4.04Å; V80-L82 HydrophobicContact CG1-CD2 4.26Å; V80-K93 CarbonylContact O-C 3.54Å; V80-K93 WeakPolarHBondContact O-CA 3.44Å; V80-H94 PolarHBondContact N-O 3.46Å; V80-H94 PolarHBondContact O-N 3.09Å; V80-L96 HydrophobicContact CG2-CB 4.36Å; V80-L96 HydrophobicContact CG2-CD2 4.1Å; V80-L111 HydrophobicContact CB-CD1 4.04Å; V80-L111 HydrophobicContact CG1-CD1 4.11Å; V80-L111 HydrophobicContact CG2-CD1 4.05Å; V80-V153 CarbonylContact C-O 3.58Å; V80-V153 WeakPolarHBondContact CA-O 3.48Å; V80-V153 HydrophobicContact CB-CG2 4.38Å; V80-V153 HydrophobicContact CG1-CG2 4.39Å; V80-V153 HydrophobicContact CG2-CG2 3.93Å; V80-I155 HydrophobicContact CG1-CD1 3.54Å; V80-I155 HydrophobicContact CG1-CG1 3.92Å
81	T	88.9	Confident	70.8	Confident	11 Å²	11	86.6 Å²	86.6	7%	0.067	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.5	170.1	-64.2	0	0	0	0	111.4	M92 H152 V153 V154 I155	T81-M92 WeakPolarHBondContact CA-O 3.34Å; T81-H152 PolarHBondContact OG1-NE2 3.46Å; T81-V153 PolarHBondContact N-O 2.85Å; T81-V154 CarbonylContact O-C 3.58Å; T81-V154 WeakPolarHBondContact O-CA 3.47Å; T81-I155 PolarHBondContact O-N 3.09Å
82	L	85.1	Confident	72.2	Confident	0 Å²	0	86 Å²	86	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.3	176.2	-56	-177.8	0	0	0	109.9	V80 V84 N89 N91 M92 A113 L114 E117 I155	V80-L82 HydrophobicContact CG1-CD2 4.26Å; L82-V84 HydrophobicContact CB-CG2 4.34Å; L82-V84 PolarHBondContact O-N 2.95Å; L82-N89 HydrophobicContact CD1-CB 4.45Å; L82-N91 PolarHBondContact O-N 2.91Å; L82-M92 PolarHBondContact N-O 2.93Å; L82-A113 HydrophobicContact CD1-CB 3.94Å; L82-L114 HydrophobicContact CD2-CB 4.44Å; L82-L114 HydrophobicContact CD2-CD1 3.83Å; L82-E117 HydrophobicContact CD1-CG 4.37Å; L82-I155 HydrophobicContact CD2-CB 4.05Å; L82-I155 HydrophobicContact CD2-CD1 4.13Å; L82-I155 HydrophobicContact CD2-CG1 4.39Å
83	D	82.1	Confident	73.8	Confident	73 Å²	73	85.3 Å²	85.3	39%	0.39	40%	0.401	S	S	.	.			trans	-94.7	83.3	175.4	178.6	26.5	0	0	0	109.1	V154 I155 T156	D83-V154 HydrophobicContact CB-CG1 3.71Å; D83-I155 PolarHBondContact N-O 3.39Å; D83-T156 HydrophobicContact CB-CG2 3.82Å
84	V	75.7	Confident	75.2	Confident	5 Å²	5	83 Å²	83	3%	0.03	38%	0.382	C	S	.	.			trans	-129.8	148.5	-174.7	-67	0	0	0	0	111.4	L82 Y86 N89 Q90 E117 F157	L82-V84 HydrophobicContact CB-CG2 4.34Å; L82-V84 PolarHBondContact O-N 2.95Å; V84-Y86 VanDerWaalsContact C-N 3.26Å; V84-Y86 PolarHBondContact O-N 3.14Å; V84-N89 HydrophobicContact CG2-CB 4.32Å; V84-Q90 WeakPolarHBondContact O-CB 3.17Å; V84-Q90 VanDerWaalsContact O-CG 3.31Å; V84-Q90 WeakPolarHBondContact O-CG 3.47Å; V84-E117 HydrophobicContact CG1-CG 4.32Å; V84-E117 HydrophobicContact CG2-CG 4.39Å; V84-F157 HydrophobicContact CG1-CD2 4.01Å; V84-F157 HydrophobicContact CG1-CE2 4.02Å
85	N	59.4	Low	75.7	Confident	147 Å²	147	82.7 Å²	82.7	79%	0.786	38%	0.383	S	S	*	.	S	Bend	trans	-80	10.1	-171.1	-77.7	-28.8	0	0	0	115.4
86	Y	57.9	Low	75.9	Confident	166 Å²	166	78.2 Å²	78.2	65%	0.651	36%	0.359	S	S	*	.	S	Bend	trans	-105.9	131.3	-179.3	-91.8	-84.2	0	0	0	112.7	V84 K88 N89 Q90	V84-Y86 VanDerWaalsContact C-N 3.26Å; V84-Y86 PolarHBondContact O-N 3.14Å; Y86-K88 PolarHBondContact O-N 3.03Å; Y86-N89 PolarHBondContact O-N 3.18Å; Y86-Q90 PolarHBondContact O-N 2.87Å
87	R	56	Low	75.9	Confident	246 Å²	246	79.6 Å²	79.6	93%	0.928	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-5.4	-173	-65.6	-176.1	179.6	176	-0.5	117.1
88	K	59.8	Low	75.9	Confident	177 Å²	177	78.1 Å²	78.1	77%	0.77	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-37.7	-177.6	-76.7	-171.6	174.9	-178.2	0	114.3	Y86 M92	Y86-K88 PolarHBondContact O-N 3.03Å; K88-M92 WeakPolarHBondContact O-CE 3.37Å
89	N	59	Low	75.6	Confident	30 Å²	30	79.5 Å²	79.5	16%	0.16	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-3.2	-171.1	-61.3	-34.2	0	0	0	113.6	L82 V84 Y86 N91 M92 E117	L82-N89 HydrophobicContact CD1-CB 4.45Å; V84-N89 HydrophobicContact CG2-CB 4.32Å; Y86-N89 PolarHBondContact O-N 3.18Å; N89-N91 PolarHBondContact O-N 3.23Å; N89-M92 PolarHBondContact O-N 3.03Å; N89-M92 VanDerWaalsContact O-N 3.08Å; N89-E117 PolarHBondContact ND2-OE1 3.14Å
90	Q	62.6	Low	75.3	Confident	91 Å²	91	78.3 Å²	78.3	43%	0.425	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	120	-175.5	-173.9	169.9	24.8	0	0	111.8	V84 Y86 M92	V84-Q90 WeakPolarHBondContact O-CB 3.17Å; V84-Q90 VanDerWaalsContact O-CG 3.31Å; V84-Q90 WeakPolarHBondContact O-CG 3.47Å; Y86-Q90 PolarHBondContact O-N 2.87Å; Q90-M92 PolarHBondContact O-N 3.24Å
91	N	64.5	Low	74.7	Confident	100 Å²	100	85.2 Å²	85.2	54%	0.535	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	15	-179.4	-58.8	-38.4	0	0	0	115.9	L82 N89 K93	L82-N91 PolarHBondContact O-N 2.91Å; N89-N91 PolarHBondContact O-N 3.23Å; N91-K93 PolarHBondContact O-N 2.84Å
92	M	72.5	Confident	74.4	Confident	92 Å²	92	85 Å²	85	45%	0.453	40%	0.403	S	S	.	.			trans	-63.9	135.5	170.8	-75.2	-166.6	170.5	0	0	110.7	T81 L82 K88 N89 Q90	T81-M92 WeakPolarHBondContact CA-O 3.34Å; L82-M92 PolarHBondContact N-O 2.93Å; K88-M92 WeakPolarHBondContact O-CE 3.37Å; N89-M92 PolarHBondContact O-N 3.03Å; N89-M92 VanDerWaalsContact O-N 3.08Å; Q90-M92 PolarHBondContact O-N 3.24Å
93	K	80.5	Confident	74.6	Confident	150 Å²	150	85.5 Å²	85.5	65%	0.652	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.3	169.3	-64.5	-170.6	177.4	-169.7	0	108.9	V80 N91	V80-K93 CarbonylContact O-C 3.54Å; V80-K93 WeakPolarHBondContact O-CA 3.44Å; N91-K93 PolarHBondContact O-N 2.84Å
94	H	83.4	Confident	74.9	Confident	42 Å²	42	82 Å²	82	19%	0.194	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.4	172.6	-58.3	-69.9	0	0	0	108.9	V80 L111	V80-H94 PolarHBondContact N-O 3.46Å; V80-H94 PolarHBondContact O-N 3.09Å; H94-L111 HydrophobicContact CB-CD1 4.09Å; H94-L111 HydrophobicContact CB-CD2 3.9Å
95	E	85	Confident	75.4	Confident	127 Å²	127	84.8 Å²	84.8	59%	0.593	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.1	168.9	-166.9	174.1	123.5	0	0	109.4	I77 L79	I77-E95 HydrophobicContact CG2-CG 3.55Å; L79-E95 HydrophobicContact CD2-CB 4.18Å; L79-E95 HydrophobicContact CD2-CG 4.15Å
96	L	84.5	Confident	76.7	Confident	5 Å²	5	82.8 Å²	82.8	3%	0.026	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	119.7	-173.4	166.4	64.2	0	0	0	109.3	I77 I78 V80 A107 V108 T110	I77-L96 CarbonylContact C-O 3.53Å; I77-L96 WeakPolarHBondContact CA-O 3.43Å; I78-L96 HydrophobicContact CB-CB 4.48Å; I78-L96 HydrophobicContact CB-CD2 4.46Å; I78-L96 PolarHBondContact N-O 3.37Å; I78-L96 WeakPolarHBondContact O-CB 3.5Å; I78-L96 PolarHBondContact O-N 2.72Å; V80-L96 HydrophobicContact CG2-CB 4.36Å; V80-L96 HydrophobicContact CG2-CD2 4.1Å; L96-A107 HydrophobicContact CD1-CB 4.46Å; L96-A107 VanDerWaalsContact CD1-O 3.22Å; L96-A107 WeakPolarHBondContact CD1-O 3.43Å; L96-A107 HydrophobicContact CD2-CB 3.81Å; L96-A107 HydrophobicContact CG-CB 4.36Å; L96-V108 HydrophobicContact CD2-CG1 4.05Å; L96-T110 WeakPolarHBondContact CD1-OG1 3.47Å
97	T	84.8	Confident	78.1	Confident	77 Å²	77	74.9 Å²	74.9	47%	0.472	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.3	176.2	-55.1	0	0	0	0	109.9	N75 R76 I77	N75-T97 HydrophobicContact CB-CG2 3.91Å; R76-T97 WeakPolarHBondContact O-CA 3.41Å; I77-T97 HydrophobicContact CG1-CG2 4.38Å
98	H	85.5	Confident	79.6	Confident	43 Å²	43	63.1 Å²	63.1	20%	0.199	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.2	-177.6	-162.5	72.3	0	0	0	111.7	N75 R76 A107 L144	N75-H98 CarbonylContact C-O 3.52Å; N75-H98 VanDerWaalsContact CA-O 3.31Å; N75-H98 WeakPolarHBondContact CA-O 3.47Å; R76-H98 PolarHBondContact N-O 2.7Å; R76-H98 PolarHBondContact O-N 3.01Å; R76-H98 VanDerWaalsContact O-N 3.07Å; H98-A107 HydrophobicContact CB-CB 3.75Å; H98-L144 HydrophobicContact CB-CD1 3.78Å
99	S	82.6	Confident	80.7	Confident	31 Å²	31	56.2 Å²	56.2	22%	0.217	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	141.4	-177	-177.5	0	0	0	0	112.3	N75 N101 G102	N75-S99 WeakPolarHBondContact OD1-CA 3.25Å; N75-S99 PolarHBondContact OD1-N 2.95Å; S99-N101 PolarHBondContact O-N 3.34Å; S99-N101 VanDerWaalsContact O-N 3.13Å; S99-N101 PolarHBondContact OG-N 2.95Å; S99-G102 PolarHBondContact O-N 2.99Å
100	E	81.8	Confident	82	Confident	31 Å²	31	58.3 Å²	58.3	15%	0.145	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-30	172.4	-80.9	-176.1	176.9	0	0	113.4	K74 R76 G102 L144 S145	K74-E100 HydrophobicContact CB-CG 4Å; K74-E100 WeakPolarHBondContact CB-OE2 3.23Å; K74-E100 PolarHBondContact O-N 2.99Å; R76-E100 HydrophobicContact CG-CG 3.5Å; R76-E100 VanDerWaalsContact CG-CG 3.5Å; R76-E100 IonicContact CZ-OE1 3.53Å; R76-E100 IonicContact NE-OE1 3.37Å; R76-E100 PolarHBondContact NE-OE1 2.84Å; R76-E100 IonicContact NH2-OE1 3.44Å; R76-E100 PolarHBondContact NH2-OE1 2.84Å; E100-G102 VanDerWaalsContact C-N 3.33Å; E100-L144 PolarHBondContact O-N 3.05Å; E100-S145 PolarHBondContact O-N 3.01Å
101	N	77.9	Confident	83.1	Confident	145 Å²	145	55 Å²	55	78%	0.775	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.8	-179.9	-65.9	-29.1	0	0	0	113.8	S99	S99-N101 PolarHBondContact O-N 3.34Å; S99-N101 VanDerWaalsContact O-N 3.13Å; S99-N101 PolarHBondContact OG-N 2.95Å
102	G	82.3	Confident	84	Confident	6 Å²	6	56.7 Å²	56.7	6%	0.062	29%	0.286	C	S	.	.	S	Bend	trans	-80.3	156.9	174.6	0	0	0	0	0	111.9	S99 E100 P143 L144	S99-G102 PolarHBondContact O-N 2.99Å; E100-G102 VanDerWaalsContact C-N 3.33Å; G102-P143 WeakPolarHBondContact O-CA 3.34Å; G102-L144 WeakPolarHBondContact O-CG 3.44Å; G102-L144 PolarHBondContact O-N 3.29Å
103	S	88.1	Confident	84.5	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.084	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-83.5	158.9	169.7	65.7	0	0	0	0	111.6	Y105 M106 A107 G141 M142	S103-Y105 PolarHBondContact O-N 3.14Å; S103-M106 PolarHBondContact O-N 2.79Å; S103-M106 VanDerWaalsContact O-N 3.13Å; S103-M106 WeakPolarHBondContact OG-CG 3.47Å; S103-M106 PolarHBondContact OG-N 2.87Å; S103-A107 PolarHBondContact O-N 2.86Å; S103-G141 WeakPolarHBondContact CB-O 3.23Å; S103-M142 WeakPolarHBondContact CA-O 3.39Å
104	L	88.3	Confident	84.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-50.8	-42	171.6	176.8	65.5	0	0	0	111.6	I78 A107 V108 V128 I138 L140 M142 L144 F147	I78-L104 HydrophobicContact CD1-CD1 4.32Å; L104-A107 PolarHBondContact O-N 3.48Å; L104-V108 HydrophobicContact CD1-CG1 3.76Å; L104-V108 HydrophobicContact CG-CG1 4.3Å; L104-V108 WeakPolarHBondContact O-CG1 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 2.99Å; L104-V128 HydrophobicContact CD2-CB 4.19Å; L104-V128 HydrophobicContact CD2-CG1 4.03Å; L104-V128 HydrophobicContact CD2-CG2 4.29Å; L104-I138 HydrophobicContact CD2-CB 4.16Å; L104-I138 HydrophobicContact CD2-CG2 3.72Å; L104-L140 HydrophobicContact CD2-CD2 4.03Å; L104-L140 HydrophobicContact CG-CD2 4.13Å; L104-M142 PolarHBondContact N-O 2.99Å; L104-L144 HydrophobicContact CB-CD2 4.29Å; L104-F147 HydrophobicContact CB-CE2 4.39Å; L104-F147 HydrophobicContact CB-CZ 4.04Å; L104-F147 HydrophobicContact CD1-CE1 4.17Å; L104-F147 HydrophobicContact CD1-CZ 3.81Å; L104-F147 HydrophobicContact CD2-CZ 4.09Å; L104-F147 HydrophobicContact CG-CZ 4.17Å
105	Y	87.9	Confident	84.6	Confident	62 Å²	62	50.5 Å²	50.5	24%	0.243	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-47.1	177.8	-176.5	-119.5	0	0	0	113.2	S103 A107 N109 M126 L140 V170 F171	S103-Y105 PolarHBondContact O-N 3.14Å; Y105-A107 VanDerWaalsContact C-N 3.3Å; Y105-A107 PolarHBondContact O-N 2.89Å; Y105-N109 VanDerWaalsContact CE1-ND2 3.29Å; Y105-N109 WeakPolarHBondContact CE1-ND2 3.44Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.27Å; Y105-N109 VanDerWaalsContact O-CB 3.26Å; Y105-N109 WeakPolarHBondContact O-CB 3.23Å; Y105-N109 PolarHBondContact O-N 2.85Å; Y105-N109 PolarHBondContact OH-ND2 2.93Å; Y105-M126 HydrophobicContact CD2-CE 4.12Å; Y105-M126 HydrophobicContact CE2-CE 4.23Å; Y105-L140 VanDerWaalsContact CB-O 3.3Å; Y105-L140 WeakPolarHBondContact CB-O 3.39Å; Y105-L140 HydrophobicContact CD2-CD2 4.41Å; Y105-L140 PolarHBondContact N-O 3.38Å; Y105-V170 HydrophobicContact CD1-CG1 3.75Å; Y105-V170 HydrophobicContact CE1-CG1 3.78Å; Y105-F171 HydrophobicContact CD1-CD2 4.04Å; Y105-F171 AromaticContact CD1-CE2 3.78Å; Y105-F171 HydrophobicContact CD1-CE2 3.78Å; Y105-F171 HydrophobicContact CD2-CD2 4.03Å; Y105-F171 AromaticContact CD2-CE2 3.33Å; Y105-F171 HydrophobicContact CD2-CE2 3.33Å; Y105-F171 AromaticContact CD2-CZ 3.98Å; Y105-F171 HydrophobicContact CD2-CZ 3.98Å; Y105-F171 HydrophobicContact CE1-CD2 4.47Å; Y105-F171 AromaticContact CE1-CE2 3.85Å; Y105-F171 HydrophobicContact CE1-CE2 3.85Å; Y105-F171 HydrophobicContact CE2-CD2 4.48Å; Y105-F171 AromaticContact CE2-CE2 3.42Å; Y105-F171 HydrophobicContact CE2-CE2 3.42Å; Y105-F171 VanDerWaalsContact CE2-CE2 3.42Å; Y105-F171 AromaticContact CE2-CZ 3.88Å; Y105-F171 HydrophobicContact CE2-CZ 3.88Å; Y105-F171 AromaticContact CG-CD2 3.79Å; Y105-F171 HydrophobicContact CG-CD2 3.79Å; Y105-F171 AromaticContact CG-CE2 3.51Å; Y105-F171 HydrophobicContact CG-CE2 3.51Å; Y105-F171 AromaticContact CZ-CE2 3.67Å
106	M	85.8	Confident	84.6	Confident	105 Å²	105	49.3 Å²	49.3	52%	0.517	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-44.5	177.1	-71.2	175	66.1	0	0	110.9	S103	S103-M106 PolarHBondContact O-N 2.79Å; S103-M106 VanDerWaalsContact O-N 3.13Å; S103-M106 WeakPolarHBondContact OG-CG 3.47Å; S103-M106 PolarHBondContact OG-N 2.87Å
107	A	86.9	Confident	84.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-54.9	-179.5	0	0	0	0	0	111.5	L96 H98 S103 L104 Y105 N109 T110 L144	L96-A107 HydrophobicContact CD1-CB 4.46Å; L96-A107 VanDerWaalsContact CD1-O 3.22Å; L96-A107 WeakPolarHBondContact CD1-O 3.43Å; L96-A107 HydrophobicContact CD2-CB 3.81Å; L96-A107 HydrophobicContact CG-CB 4.36Å; H98-A107 HydrophobicContact CB-CB 3.75Å; S103-A107 PolarHBondContact O-N 2.86Å; L104-A107 PolarHBondContact O-N 3.48Å; Y105-A107 VanDerWaalsContact C-N 3.3Å; Y105-A107 PolarHBondContact O-N 2.89Å; A107-N109 PolarHBondContact O-N 2.84Å; A107-T110 WeakPolarHBondContact O-CB 3.49Å; A107-T110 WeakPolarHBondContact O-CG2 3.47Å; A107-T110 PolarHBondContact O-N 3.06Å; A107-T110 PolarHBondContact O-OG1 2.84Å; A107-L144 HydrophobicContact CB-CD1 3.81Å; A107-L144 HydrophobicContact CB-CD2 4.38Å; A107-L144 HydrophobicContact CB-CG 4.42Å
108	V	87.1	Confident	84.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-29.5	-177.8	-57.9	0	0	0	0	112.5	L96 L104 T110 L111 L114 M126 L140 I155	L96-V108 HydrophobicContact CD2-CG1 4.05Å; L104-V108 HydrophobicContact CD1-CG1 3.76Å; L104-V108 HydrophobicContact CG-CG1 4.3Å; L104-V108 WeakPolarHBondContact O-CG1 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 2.99Å; V108-T110 PolarHBondContact O-N 2.79Å; V108-T110 VanDerWaalsContact O-N 3.15Å; V108-L111 WeakPolarHBondContact O-CB 3.31Å; V108-L111 PolarHBondContact O-N 3.46Å; V108-L114 HydrophobicContact CB-CD2 3.53Å; V108-L114 HydrophobicContact CG2-CD2 3.57Å; V108-M126 HydrophobicContact CG2-CE 4.35Å; V108-L140 HydrophobicContact CG2-CD2 4.43Å; V108-I155 HydrophobicContact CB-CD1 4.36Å; V108-I155 HydrophobicContact CG1-CD1 4.24Å
109	N	84.6	Confident	84.3	Confident	32 Å²	32	53.1 Å²	53.1	17%	0.171	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.6	173.1	-87.9	-10.8	0	0	0	114.7	Y105 A107 L111 R115	Y105-N109 VanDerWaalsContact CE1-ND2 3.29Å; Y105-N109 WeakPolarHBondContact CE1-ND2 3.44Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.27Å; Y105-N109 VanDerWaalsContact O-CB 3.26Å; Y105-N109 WeakPolarHBondContact O-CB 3.23Å; Y105-N109 PolarHBondContact O-N 2.85Å; Y105-N109 PolarHBondContact OH-ND2 2.93Å; A107-N109 PolarHBondContact O-N 2.84Å; N109-L111 VanDerWaalsContact C-N 3.33Å; N109-R115 VanDerWaalsContact O-CZ 3.24Å; N109-R115 PolarHBondContact O-NE 2.77Å; N109-R115 PolarHBondContact O-NH2 2.8Å
110	T	85.5	Confident	84.3	Confident	74 Å²	74	56 Å²	56	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-24	168	65	0	0	0	0	112.2	L96 A107 V108 Q112	L96-T110 WeakPolarHBondContact CD1-OG1 3.47Å; A107-T110 WeakPolarHBondContact O-CB 3.49Å; A107-T110 WeakPolarHBondContact O-CG2 3.47Å; A107-T110 PolarHBondContact O-N 3.06Å; A107-T110 PolarHBondContact O-OG1 2.84Å; V108-T110 PolarHBondContact O-N 2.79Å; V108-T110 VanDerWaalsContact O-N 3.15Å; T110-Q112 PolarHBondContact O-N 3.26Å
111	L	85.8	Confident	84.2	Confident	22 Å²	22	56.3 Å²	56.3	12%	0.115	28%	0.279	C	S	.	.			trans	-75	111.8	-178	-67.1	171.2	0	0	0	111.2	V80 H94 V108 N109 A113 L114 R115	V80-L111 HydrophobicContact CB-CD1 4.04Å; V80-L111 HydrophobicContact CG1-CD1 4.11Å; V80-L111 HydrophobicContact CG2-CD1 4.05Å; H94-L111 HydrophobicContact CB-CD1 4.09Å; H94-L111 HydrophobicContact CB-CD2 3.9Å; V108-L111 WeakPolarHBondContact O-CB 3.31Å; V108-L111 PolarHBondContact O-N 3.46Å; N109-L111 VanDerWaalsContact C-N 3.33Å; L111-A113 PolarHBondContact O-N 2.88Å; L111-L114 HydrophobicContact CB-CB 4.07Å; L111-L114 PolarHBondContact O-N 2.66Å; L111-R115 PolarHBondContact O-N 3.04Å; L111-R115 VanDerWaalsContact O-N 3.09Å
112	Q	83.2	Confident	84.2	Confident	134 Å²	134	57.8 Å²	57.8	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-60	-31.5	178	-160.5	-161.4	36.8	0	0	112.6	T110 K116	T110-Q112 PolarHBondContact O-N 3.26Å; Q112-K116 WeakPolarHBondContact O-CG 3.28Å; Q112-K116 PolarHBondContact O-N 3.35Å
113	A	82.3	Confident	83.7	Confident	17 Å²	17	60.6 Å²	60.6	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-46.2	173.9	0	0	0	0	0	111.3	L82 L111 K116 E117	L82-A113 HydrophobicContact CD1-CB 3.94Å; L111-A113 PolarHBondContact O-N 2.88Å; A113-K116 PolarHBondContact O-N 2.88Å; A113-E117 PolarHBondContact O-N 3.39Å
114	L	83.9	Confident	83.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.9	-40	178.6	-178.5	63.3	0	0	0	112.3	L82 V108 L111 K116 E117 I118 M126 I155 F157	L82-L114 HydrophobicContact CD2-CB 4.44Å; L82-L114 HydrophobicContact CD2-CD1 3.83Å; V108-L114 HydrophobicContact CB-CD2 3.53Å; V108-L114 HydrophobicContact CG2-CD2 3.57Å; L111-L114 HydrophobicContact CB-CB 4.07Å; L111-L114 PolarHBondContact O-N 2.66Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 2.64Å; L114-E117 CarbonylContact O-C 3.58Å; L114-E117 PolarHBondContact O-N 3.39Å; L114-I118 HydrophobicContact CD1-CG1 4.27Å; L114-I118 HydrophobicContact CD2-CD1 4.4Å; L114-I118 HydrophobicContact CG-CD1 4Å; L114-I118 HydrophobicContact CG-CG1 4.2Å; L114-I118 WeakPolarHBondContact O-CG1 3.48Å; L114-I118 PolarHBondContact O-N 3.26Å; L114-M126 HydrophobicContact CD1-SD 4.01Å; L114-M126 HydrophobicContact CD2-SD 4.15Å; L114-M126 HydrophobicContact CG-SD 4.48Å; L114-I155 HydrophobicContact CD1-CD1 4.04Å; L114-I155 HydrophobicContact CD1-CG2 4.04Å; L114-I155 HydrophobicContact CD2-CD1 3.69Å; L114-I155 HydrophobicContact CG-CD1 4.5Å; L114-F157 HydrophobicContact CD1-CZ 4.08Å
115	R	83.6	Confident	83.3	Confident	138 Å²	138	66.4 Å²	66.4	52%	0.521	34%	0.337	S	S	.	.	H	α-helix	trans	-54.3	-44.7	176.3	-69.5	-170.4	-175.1	-168.9	0.6	112	N109 L111 E117 I118 E119	N109-R115 VanDerWaalsContact O-CZ 3.24Å; N109-R115 PolarHBondContact O-NE 2.77Å; N109-R115 PolarHBondContact O-NH2 2.8Å; L111-R115 PolarHBondContact O-N 3.04Å; L111-R115 VanDerWaalsContact O-N 3.09Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-E117 PolarHBondContact O-N 3.36Å; R115-I118 PolarHBondContact O-N 3.18Å; R115-E119 WeakPolarHBondContact O-CG 3.42Å; R115-E119 PolarHBondContact O-N 3.28Å
116	K	83.4	Confident	83.3	Confident	101 Å²	101	64.6 Å²	64.6	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-38.7	175.8	-68.4	168.1	-178.7	167	0	112	Q112 A113 L114 E119 T120	Q112-K116 WeakPolarHBondContact O-CG 3.28Å; Q112-K116 PolarHBondContact O-N 3.35Å; A113-K116 PolarHBondContact O-N 2.88Å; L114-K116 VanDerWaalsContact C-N 3.27Å; L114-K116 PolarHBondContact O-N 2.64Å; K116-E119 PolarHBondContact O-N 3.3Å; K116-T120 WeakPolarHBondContact O-CG2 3.32Å; K116-T120 PolarHBondContact O-N 2.78Å; K116-T120 PolarHBondContact O-OG1 3.47Å
117	E	83.8	Confident	83.5	Confident	9 Å²	9	60.1 Å²	60.1	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-72.7	-30.7	175.7	-59.3	-56.7	163.3	0	0	113.3	L82 V84 N89 A113 L114 R115 E119 T120 H121 F157	L82-E117 HydrophobicContact CD1-CG 4.37Å; V84-E117 HydrophobicContact CG1-CG 4.32Å; V84-E117 HydrophobicContact CG2-CG 4.39Å; N89-E117 PolarHBondContact ND2-OE1 3.14Å; A113-E117 PolarHBondContact O-N 3.39Å; L114-E117 CarbonylContact O-C 3.58Å; L114-E117 PolarHBondContact O-N 3.39Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-E117 PolarHBondContact O-N 3.36Å; E117-E119 VanDerWaalsContact C-N 3.33Å; E117-T120 WeakPolarHBondContact CA-OG1 3.41Å; E117-T120 PolarHBondContact O-N 3.43Å; E117-T120 PolarHBondContact O-OG1 2.83Å; E117-T120 VanDerWaalsContact O-OG1 3.04Å; E117-T120 PolarHBondContact OE2-OG1 3.04Å; E117-H121 VanDerWaalsContact O-CB 3.28Å; E117-H121 WeakPolarHBondContact O-CB 3.47Å; E117-H121 PolarHBondContact O-CD2 3.02Å; E117-H121 PolarHBondContact O-N 2.99Å; E117-F157 HydrophobicContact CB-CE2 3.89Å; E117-F157 HydrophobicContact CB-CZ 4.11Å
118	I	83	Confident	83.7	Confident	55 Å²	55	60.2 Å²	60.2	28%	0.282	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-39.4	172.4	-66.3	174.1	0	0	0	110.4	L114 R115 H121 Q122 M126 F157	L114-I118 HydrophobicContact CD1-CG1 4.27Å; L114-I118 HydrophobicContact CD2-CD1 4.4Å; L114-I118 HydrophobicContact CG-CD1 4Å; L114-I118 HydrophobicContact CG-CG1 4.2Å; L114-I118 WeakPolarHBondContact O-CG1 3.48Å; L114-I118 PolarHBondContact O-N 3.26Å; R115-I118 PolarHBondContact O-N 3.18Å; I118-H121 CarbonylContact O-C 3.58Å; I118-Q122 PolarHBondContact O-N 2.78Å; I118-M126 HydrophobicContact CD1-CE 4.32Å; I118-M126 HydrophobicContact CD1-SD 4.17Å; I118-M126 HydrophobicContact CG1-SD 4.26Å; I118-F157 HydrophobicContact CG1-CE1 4.25Å; I118-F157 HydrophobicContact CG1-CZ 4.17Å
119	E	83.4	Confident	83.9	Confident	141 Å²	141	66.3 Å²	66.3	66%	0.659	33%	0.332	S	S	*	.	H	α-helix	trans	-65	-45.8	174.8	-70.8	165.3	-168.2	0	0	112.1	R115 K116 E117 H121 Q122	R115-E119 WeakPolarHBondContact O-CG 3.42Å; R115-E119 PolarHBondContact O-N 3.28Å; K116-E119 PolarHBondContact O-N 3.3Å; E117-E119 VanDerWaalsContact C-N 3.33Å; E119-H121 VanDerWaalsContact C-N 3.34Å; E119-H121 PolarHBondContact O-N 2.77Å; E119-Q122 PolarHBondContact O-N 3.37Å
120	T	81.8	Confident	84.2	Confident	91 Å²	91	65 Å²	65	56%	0.558	33%	0.326	S	S	*	.	H	α-helix	trans	-69.3	-29.4	178.2	56.5	0	0	0	0	113.1	K116 E117	K116-T120 WeakPolarHBondContact O-CG2 3.32Å; K116-T120 PolarHBondContact O-N 2.78Å; K116-T120 PolarHBondContact O-OG1 3.47Å; E117-T120 WeakPolarHBondContact CA-OG1 3.41Å; E117-T120 PolarHBondContact O-N 3.43Å; E117-T120 PolarHBondContact O-OG1 2.83Å; E117-T120 VanDerWaalsContact O-OG1 3.04Å; E117-T120 PolarHBondContact OE2-OG1 3.04Å
121	H	80.3	Confident	84.3	Confident	38 Å²	38	64.9 Å²	64.9	18%	0.176	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	25.1	178.6	-72.6	-93.9	0	0	0	113.9	E117 I118 E119 G123 Q124 F157	E117-H121 VanDerWaalsContact O-CB 3.28Å; E117-H121 WeakPolarHBondContact O-CB 3.47Å; E117-H121 PolarHBondContact O-CD2 3.02Å; E117-H121 PolarHBondContact O-N 2.99Å; I118-H121 CarbonylContact O-C 3.58Å; E119-H121 VanDerWaalsContact C-N 3.34Å; E119-H121 PolarHBondContact O-N 2.77Å; H121-G123 PolarHBondContact O-N 2.87Å; H121-Q124 HydrophobicContact CB-CB 4.31Å; H121-Q124 HydrophobicContact CB-CG 4.46Å; H121-Q124 PolarHBondContact ND1-OE1 3.25Å; H121-Q124 VanDerWaalsContact O-CB 3.23Å; H121-Q124 WeakPolarHBondContact O-CB 3.48Å; H121-Q124 WeakPolarHBondContact O-CG 3.44Å; H121-Q124 PolarHBondContact O-N 3.17Å; H121-F157 HydrophobicContact CB-CB 4.09Å; H121-F157 HydrophobicContact CB-CD1 3.62Å; H121-F157 HydrophobicContact CB-CD2 4.17Å; H121-F157 HydrophobicContact CB-CE1 4.04Å; H121-F157 HydrophobicContact CB-CG 3.69Å; H121-F157 HydrophobicContact CB-CZ 4.5Å; H121-F157 AromaticContact CD2-CD2 3.86Å; H121-F157 AromaticContact CG-CD2 3.8Å; H121-F157 AromaticContact CG-CG 3.65Å; H121-F157 AromaticContact ND1-CG 3.86Å
122	Q	76.5	Confident	84.3	Confident	177 Å²	177	69.2 Å²	69.2	83%	0.827	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	129.2	-178.9	-164.4	-178.4	31.4	0	0	112.8	I118 E119 Q124	I118-Q122 PolarHBondContact O-N 2.78Å; E119-Q122 PolarHBondContact O-N 3.37Å; Q122-Q124 VanDerWaalsContact C-N 3.34Å
123	G	73.3	Confident	84.4	Confident	65 Å²	65	65.4 Å²	65.4	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	3.8	-175.7	0	0	0	0	0	115.1	H121	H121-G123 PolarHBondContact O-N 2.87Å
124	Q	82.6	Confident	84.6	Confident	69 Å²	69	64.7 Å²	64.7	32%	0.322	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	148.4	167.5	-56.2	-172.3	17.1	0	0	110.8	H121 Q122 F157 S158	H121-Q124 HydrophobicContact CB-CB 4.31Å; H121-Q124 HydrophobicContact CB-CG 4.46Å; H121-Q124 PolarHBondContact ND1-OE1 3.25Å; H121-Q124 VanDerWaalsContact O-CB 3.23Å; H121-Q124 WeakPolarHBondContact O-CB 3.48Å; H121-Q124 WeakPolarHBondContact O-CG 3.44Å; H121-Q124 PolarHBondContact O-N 3.17Å; Q122-Q124 VanDerWaalsContact C-N 3.34Å; Q124-F157 HydrophobicContact CB-CB 4.21Å; Q124-S158 CarbonylContact C-O 3.53Å; Q124-S158 VanDerWaalsContact CA-O 3.29Å; Q124-S158 WeakPolarHBondContact CA-O 3.39Å; Q124-S158 VanDerWaalsContact CB-O 3.31Å; Q124-S158 WeakPolarHBondContact CB-O 3.45Å
125	E	84.6	Confident	84.7	Confident	65 Å²	65	69.8 Å²	69.8	30%	0.304	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.1	174.3	-176.4	-177.4	-164	0	0	109.4	L127 S158 C201	E125-L127 HydrophobicContact CG-CD2 4.04Å; E125-S158 PolarHBondContact N-O 3.41Å; E125-S158 PolarHBondContact O-N 2.99Å; E125-C201 WeakPolarHBondContact OE2-CB 3.41Å; E125-C201 PolarHBondContact OE2-SG 3.44Å
126	M	87.8	Confident	85	Confident	23 Å²	23	63.7 Å²	63.7	11%	0.113	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.5	174.4	-176.4	166.7	65.6	0	0	109.9	Y105 V108 L114 I118 L140 I155 F157	Y105-M126 HydrophobicContact CD2-CE 4.12Å; Y105-M126 HydrophobicContact CE2-CE 4.23Å; V108-M126 HydrophobicContact CG2-CE 4.35Å; L114-M126 HydrophobicContact CD1-SD 4.01Å; L114-M126 HydrophobicContact CD2-SD 4.15Å; L114-M126 HydrophobicContact CG-SD 4.48Å; I118-M126 HydrophobicContact CD1-CE 4.32Å; I118-M126 HydrophobicContact CD1-SD 4.17Å; I118-M126 HydrophobicContact CG1-SD 4.26Å; M126-L140 HydrophobicContact CB-CD1 4.41Å; M126-L140 HydrophobicContact CE-CD1 3.59Å; M126-L140 HydrophobicContact CE-CD2 3.83Å; M126-L140 HydrophobicContact CE-CG 4.39Å; M126-I155 HydrophobicContact CG-CG2 3.66Å; M126-I155 HydrophobicContact SD-CG2 3.84Å; M126-F157 HydrophobicContact CB-CD1 4.18Å; M126-F157 HydrophobicContact CB-CE1 3.91Å; M126-F157 HydrophobicContact CG-CE1 3.99Å; M126-F157 HydrophobicContact CG-CZ 4.38Å; M126-F157 HydrophobicContact SD-CE1 4.2Å; M126-F157 HydrophobicContact SD-CZ 4.26Å
127	L	90.1	Very high	85.5	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.058	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.8	-179.1	-61.4	178.3	0	0	0	109.7	E125 Y137 T156 K203 L204	E125-L127 HydrophobicContact CG-CD2 4.04Å; L127-Y137 HydrophobicContact CB-CD1 4.24Å; L127-Y137 HydrophobicContact CB-CE1 4.14Å; L127-T156 PolarHBondContact N-O 2.88Å; L127-T156 PolarHBondContact O-N 3.1Å; L127-T156 PolarHBondContact O-OG1 3.11Å; L127-K203 HydrophobicContact CD1-CB 4.45Å; L127-L204 HydrophobicContact CD1-CD2 4.06Å; L127-L204 HydrophobicContact CD2-CD1 4.16Å; L127-L204 HydrophobicContact CD2-CD2 4.39Å; L127-L204 HydrophobicContact CD2-CG 4.44Å
128	V	91.6	Very high	85.9	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131	174	-170.2	0	0	0	0	109.8	L104 Y137 I138 L140 V153 V154 I155	L104-V128 HydrophobicContact CD2-CB 4.19Å; L104-V128 HydrophobicContact CD2-CG1 4.03Å; L104-V128 HydrophobicContact CD2-CG2 4.29Å; V128-Y137 CarbonylContact O-C 3.6Å; V128-Y137 WeakPolarHBondContact O-CA 3.45Å; V128-I138 HydrophobicContact CG1-CD1 4.33Å; V128-I138 PolarHBondContact O-N 3.33Å; V128-L140 HydrophobicContact CG2-CD2 3.68Å; V128-L140 HydrophobicContact CG2-CG 4.25Å; V128-V153 HydrophobicContact CG1-CB 3.67Å; V128-V153 HydrophobicContact CG1-CG1 4.22Å; V128-V153 HydrophobicContact CG1-CG2 3.9Å; V128-V154 WeakPolarHBondContact CA-O 3.32Å; V128-I155 HydrophobicContact CG1-CG1 4.34Å; V128-I155 HydrophobicContact CG2-CD1 4.46Å; V128-I155 HydrophobicContact CG2-CG1 4.13Å
129	R	91.8	Very high	86.3	Confident	128 Å²	128	58.1 Å²	58.1	48%	0.483	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.2	178.4	-179.4	-178.1	173.6	-173.1	-1.7	110.4	G136 Y137 V153 V154	R129-G136 CarbonylContact C-O 3.46Å; R129-G136 WeakPolarHBondContact CA-O 3.21Å; R129-Y137 HydrophobicContact CB-CD1 3.96Å; R129-Y137 HydrophobicContact CB-CE1 3.89Å; R129-Y137 HydrophobicContact CG-CE1 4.44Å; R129-V153 CarbonylContact O-C 3.56Å; R129-V153 VanDerWaalsContact O-CA 3.31Å; R129-V153 WeakPolarHBondContact O-CA 3.27Å; R129-V154 PolarHBondContact N-O 3.05Å; R129-V154 PolarHBondContact O-N 3.13Å
130	G	90.4	Very high	86.5	Confident	4 Å²	4	51.8 Å²	51.8	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132	168.7	0	0	0	0	0	111.8	I134 G136	G130-I134 CarbonylContact C-O 3.49Å; G130-I134 VanDerWaalsContact CA-O 3.24Å; G130-I134 WeakPolarHBondContact CA-O 3.15Å; G130-G136 PolarHBondContact N-O 2.98Å
131	T	86.8	Confident	86.8	Confident	72 Å²	72	47.9 Å²	47.9	44%	0.442	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-28.4	175.8	41.9	0	0	0	0	112.7	H152 V154	T131-H152 PolarHBondContact N-O 2.88Å; T131-H152 VanDerWaalsContact OG1-CG 3.29Å; T131-H152 PolarHBondContact OG1-ND1 3.32Å; T131-H152 VanDerWaalsContact OG1-ND1 3.09Å; T131-H152 PolarHBondContact OG1-O 2.87Å; T131-H152 VanDerWaalsContact OG1-O 3.13Å; T131-V154 HydrophobicContact CG2-CG2 3.65Å
132	E	86.3	Confident	87.2	Confident	114 Å²	114	46.1 Å²	46.1	53%	0.533	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.9	177.5	-163	175.1	179.6	0	0	110.2	I134 C151 H152	E132-I134 PolarHBondContact O-N 3.21Å; E132-C151 WeakPolarHBondContact O-CA 3.42Å; E132-C151 PolarHBondContact O-SG 3Å; E132-C151 VanDerWaalsContact O-SG 3.39Å; E132-H152 HydrophobicContact CB-CB 3.59Å; E132-H152 PolarHBondContact N-O 2.65Å; E132-H152 PolarHBondContact O-N 3.11Å
133	G	84.3	Confident	87.7	Confident	54 Å²	54	38.9 Å²	38.9	56%	0.557	22%	0.221	S	C	*	.	S	Bend	trans	73.8	-48.8	-175.1	0	0	0	0	0	114
134	I	87	Confident	88.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.19	C	C	.	.	S	Bend	trans	-124.7	147.7	177.8	-156.2	167.6	0	0	0	110.7	G130 E132 I138 M142 C151	G130-I134 CarbonylContact C-O 3.49Å; G130-I134 VanDerWaalsContact CA-O 3.24Å; G130-I134 WeakPolarHBondContact CA-O 3.15Å; E132-I134 PolarHBondContact O-N 3.21Å; I134-I138 HydrophobicContact CG2-CD1 3.5Å; I134-I138 HydrophobicContact CG2-CG1 4.27Å; I134-M142 HydrophobicContact CD1-CE 3.45Å; I134-M142 VanDerWaalsContact CD1-CE 3.45Å; I134-C151 WeakPolarHBondContact CG2-SG 3.44Å
135	Q	87.1	Confident	88.5	Confident	107 Å²	107	35 Å²	35	50%	0.5	19%	0.192	S	C	.	.			trans	-113.6	155.5	-174.6	-66.5	-165.9	6	0	0	113.8	Y185	Q135-Y185 HydrophobicContact CB-CE1 4.21Å; Q135-Y185 VanDerWaalsContact O-CE1 3.27Å; Q135-Y185 WeakPolarHBondContact O-CE1 3.38Å
136	G	90.2	Very high	88.6	Confident	11 Å²	11	32.3 Å²	32.3	11%	0.113	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-168.2	173.3	0	0	0	0	0	113.4	R129 G130 K210	R129-G136 CarbonylContact C-O 3.46Å; R129-G136 WeakPolarHBondContact CA-O 3.21Å; G130-G136 PolarHBondContact N-O 2.98Å; G136-K210 CarbonylContact C-O 3.58Å; G136-K210 WeakPolarHBondContact CA-O 3.2Å
137	Y	93.4	Very high	88.5	Confident	38 Å²	38	31.4 Å²	31.4	15%	0.149	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131	179.1	-72.1	-87.9	0	0	0	110.6	L127 V128 R129 L204 K210 C212 R230	L127-Y137 HydrophobicContact CB-CD1 4.24Å; L127-Y137 HydrophobicContact CB-CE1 4.14Å; V128-Y137 CarbonylContact O-C 3.6Å; V128-Y137 WeakPolarHBondContact O-CA 3.45Å; R129-Y137 HydrophobicContact CB-CD1 3.96Å; R129-Y137 HydrophobicContact CB-CE1 3.89Å; R129-Y137 HydrophobicContact CG-CE1 4.44Å; Y137-L204 HydrophobicContact CD1-CD2 3.59Å; Y137-L204 HydrophobicContact CD2-CD2 3.54Å; Y137-L204 HydrophobicContact CE1-CD2 3.57Å; Y137-L204 HydrophobicContact CE2-CD2 3.51Å; Y137-L204 HydrophobicContact CG-CD2 3.57Å; Y137-K210 PolarHBondContact N-O 2.67Å; Y137-C212 PolarHBondContact O-N 3.39Å; Y137-R230 VanDerWaalsContact C-NH1 3.32Å; Y137-R230 PolarHBondContact O-NH1 3.13Å
138	I	92.7	Very high	88.3	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.036	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-98.9	148.3	-170	-52	172.9	0	0	0	110	L104 V128 I134 M142 F147 V153 R230	L104-I138 HydrophobicContact CD2-CB 4.16Å; L104-I138 HydrophobicContact CD2-CG2 3.72Å; V128-I138 HydrophobicContact CG1-CD1 4.33Å; V128-I138 PolarHBondContact O-N 3.33Å; I134-I138 HydrophobicContact CG2-CD1 3.5Å; I134-I138 HydrophobicContact CG2-CG1 4.27Å; I138-M142 HydrophobicContact CG2-CB 4.46Å; I138-M142 HydrophobicContact CG2-CE 3.36Å; I138-M142 HydrophobicContact CG2-SD 4.16Å; I138-F147 HydrophobicContact CD1-CE1 4.17Å; I138-F147 HydrophobicContact CG2-CZ 4.09Å; I138-V153 HydrophobicContact CD1-CG1 3.57Å; I138-R230 PolarHBondContact O-NH1 2.97Å; I138-R230 VanDerWaalsContact O-NH1 3.11Å
139	N	90.9	Very high	87.6	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-81	132.5	171.1	-166.6	-27.2	0	0	0	109.6	G141 M142 Y214 D228	N139-G141 PolarHBondContact O-N 3.16Å; N139-G141 PolarHBondContact OD1-N 3.06Å; N139-M142 WeakPolarHBondContact O-CB 3.32Å; N139-M142 PolarHBondContact O-N 2.97Å; N139-M142 VanDerWaalsContact O-N 3.1Å; N139-Y214 HydrophobicContact CB-CD1 4.09Å; N139-Y214 HydrophobicContact CB-CE1 3.88Å; N139-D228 VanDerWaalsContact ND2-CG 3.31Å; N139-D228 PolarHBondContact ND2-O 3.46Å; N139-D228 PolarHBondContact ND2-OD2 2.94Å
140	L	87.8	Confident	86.9	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.042	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.5	179.1	-81.7	167.7	0	0	0	113.1	L104 Y105 V108 M126 V128 M142 F171	L104-L140 HydrophobicContact CD2-CD2 4.03Å; L104-L140 HydrophobicContact CG-CD2 4.13Å; Y105-L140 VanDerWaalsContact CB-O 3.3Å; Y105-L140 WeakPolarHBondContact CB-O 3.39Å; Y105-L140 HydrophobicContact CD2-CD2 4.41Å; Y105-L140 PolarHBondContact N-O 3.38Å; V108-L140 HydrophobicContact CG2-CD2 4.43Å; M126-L140 HydrophobicContact CB-CD1 4.41Å; M126-L140 HydrophobicContact CE-CD1 3.59Å; M126-L140 HydrophobicContact CE-CD2 3.83Å; M126-L140 HydrophobicContact CE-CG 4.39Å; V128-L140 HydrophobicContact CG2-CD2 3.68Å; V128-L140 HydrophobicContact CG2-CG 4.25Å; L140-M142 VanDerWaalsContact C-N 3.3Å; L140-F171 HydrophobicContact CB-CB 3.96Å; L140-F171 HydrophobicContact CB-CD1 3.67Å; L140-F171 HydrophobicContact CB-CD2 3.78Å; L140-F171 HydrophobicContact CB-CE1 4.15Å; L140-F171 HydrophobicContact CB-CE2 4.28Å; L140-F171 HydrophobicContact CB-CG 3.47Å; L140-F171 VanDerWaalsContact CB-CG 3.47Å; L140-F171 HydrophobicContact CB-CZ 4.45Å; L140-F171 HydrophobicContact CD1-CD1 3.75Å; L140-F171 HydrophobicContact CD1-CE1 3.4Å; L140-F171 VanDerWaalsContact CD1-CE1 3.4Å; L140-F171 HydrophobicContact CD1-CE2 4.28Å; L140-F171 HydrophobicContact CD1-CG 4.31Å; L140-F171 HydrophobicContact CD1-CZ 3.71Å; L140-F171 HydrophobicContact CG-CD1 4.34Å; L140-F171 HydrophobicContact CG-CE1 4.42Å
141	G	87.1	Confident	86.7	Confident	9 Å²	9	38.2 Å²	38.2	9%	0.093	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.4	170.6	0	0	0	0	0	114.7	S103 N139 Y214	S103-G141 WeakPolarHBondContact CB-O 3.23Å; N139-G141 PolarHBondContact O-N 3.16Å; N139-G141 PolarHBondContact OD1-N 3.06Å; G141-Y214 PolarHBondContact O-OH 3.45Å
142	M	88.3	Confident	86.9	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.			trans	-61.9	128.4	-170.7	-168.4	167.7	79.5	0	0	112.3	S103 L104 I134 I138 N139 L140 C146 F147 Y214	S103-M142 WeakPolarHBondContact CA-O 3.39Å; L104-M142 PolarHBondContact N-O 2.99Å; I134-M142 HydrophobicContact CD1-CE 3.45Å; I134-M142 VanDerWaalsContact CD1-CE 3.45Å; I138-M142 HydrophobicContact CG2-CB 4.46Å; I138-M142 HydrophobicContact CG2-CE 3.36Å; I138-M142 HydrophobicContact CG2-SD 4.16Å; N139-M142 WeakPolarHBondContact O-CB 3.32Å; N139-M142 PolarHBondContact O-N 2.97Å; N139-M142 VanDerWaalsContact O-N 3.1Å; L140-M142 VanDerWaalsContact C-N 3.3Å; M142-C146 HydrophobicContact CE-CB 4.25Å; M142-C146 HydrophobicContact CG-CB 3.91Å; M142-C146 HydrophobicContact SD-CB 4.09Å; M142-F147 HydrophobicContact CE-CD2 3.81Å; M142-F147 HydrophobicContact CE-CE1 4.18Å; M142-F147 HydrophobicContact CE-CE2 3.2Å; M142-F147 HydrophobicContact CE-CZ 3.4Å; M142-F147 HydrophobicContact CG-CE2 4.36Å; M142-Y214 VanDerWaalsContact CA-CE1 3.5Å; M142-Y214 HydrophobicContact CB-CD1 3.62Å; M142-Y214 HydrophobicContact CB-CE1 3.82Å; M142-Y214 HydrophobicContact CB-CG 4.18Å; M142-Y214 HydrophobicContact CG-CD1 3.64Å; M142-Y214 HydrophobicContact CG-CD2 4.43Å; M142-Y214 HydrophobicContact CG-CE1 4.3Å; M142-Y214 HydrophobicContact CG-CG 3.72Å; M142-Y214 HydrophobicContact SD-CD1 4.2Å; M142-Y214 HydrophobicContact SD-CG 4.33Å
143	P	88.3	Confident	87.2	Confident	25 Å²	25	30.5 Å²	30.5	16%	0.162	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-60.2	145.5	176.1	-25.7	35.3	0	0	0	112.8	G102 S145 C146 F147 Y214	G102-P143 WeakPolarHBondContact O-CA 3.34Å; P143-S145 PolarHBondContact O-N 2.75Å; P143-C146 VanDerWaalsContact O-CB 3.32Å; P143-C146 WeakPolarHBondContact O-CB 3.49Å; P143-C146 PolarHBondContact O-N 2.69Å; P143-C146 VanDerWaalsContact O-N 3.1Å; P143-F147 WeakPolarHBondContact O-CD2 3.29Å; P143-Y214 HydrophobicContact CG-CE2 4.42Å
144	L	86.9	Confident	87.5	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-67.8	-23.4	177.6	-68	-154.2	0	0	0	113.4	R76 I78 H98 E100 G102 L104 A107 C146 F147	R76-L144 HydrophobicContact CB-CB 4.3Å; R76-L144 HydrophobicContact CB-CD1 4.3Å; R76-L144 HydrophobicContact CG-CB 4.3Å; I78-L144 HydrophobicContact CD1-CD1 3.9Å; I78-L144 HydrophobicContact CD1-CD2 3.57Å; I78-L144 HydrophobicContact CD1-CG 4.35Å; H98-L144 HydrophobicContact CB-CD1 3.78Å; E100-L144 PolarHBondContact O-N 3.05Å; G102-L144 WeakPolarHBondContact O-CG 3.44Å; G102-L144 PolarHBondContact O-N 3.29Å; L104-L144 HydrophobicContact CB-CD2 4.29Å; A107-L144 HydrophobicContact CB-CD1 3.81Å; A107-L144 HydrophobicContact CB-CD2 4.38Å; A107-L144 HydrophobicContact CB-CG 4.42Å; L144-C146 PolarHBondContact O-N 2.8Å; L144-C146 VanDerWaalsContact O-N 3.11Å; L144-F147 HydrophobicContact CD2-CD2 3.97Å; L144-F147 HydrophobicContact CD2-CE2 3.74Å; L144-F147 HydrophobicContact CD2-CZ 4.27Å; L144-F147 WeakPolarHBondContact O-CB 3.1Å; L144-F147 PolarHBondContact O-N 3.11Å
145	S	84.8	Confident	87.7	Confident	52 Å²	52	29.2 Å²	29.2	36%	0.364	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-55.8	-22	168.9	60.7	0	0	0	0	114.1	E100 P143 F147	E100-S145 PolarHBondContact O-N 3.01Å; P143-S145 PolarHBondContact O-N 2.75Å; S145-F147 VanDerWaalsContact C-N 3.3Å
146	C	86.3	Confident	87.8	Confident	8 Å²	8	25.6 Å²	25.6	5%	0.054	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-78	-12.5	176.4	-60.8	0	0	0	0	113.5	M142 P143 L144 C181 K183	M142-C146 HydrophobicContact CE-CB 4.25Å; M142-C146 HydrophobicContact CG-CB 3.91Å; M142-C146 HydrophobicContact SD-CB 4.09Å; P143-C146 VanDerWaalsContact O-CB 3.32Å; P143-C146 WeakPolarHBondContact O-CB 3.49Å; P143-C146 PolarHBondContact O-N 2.69Å; P143-C146 VanDerWaalsContact O-N 3.1Å; L144-C146 PolarHBondContact O-N 2.8Å; L144-C146 VanDerWaalsContact O-N 3.11Å; C146-C181 WeakPolarHBondContact SG-CB 3.24Å; C146-K183 WeakPolarHBondContact O-CD 3.33Å; C146-K183 WeakPolarHBondContact O-CE 3.34Å
147	F	87.4	Confident	87.7	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.018	15%	0.147	C	C	.	.	S	Bend	trans	-91	140.8	-174.8	-69.7	-113.6	0	0	0	111.4	R76 I78 L104 I138 M142 P143 L144 S145 C151 V153	R76-F147 PolarHBondContact NH1-O 2.85Å; I78-F147 HydrophobicContact CD1-CD1 4.08Å; I78-F147 HydrophobicContact CD1-CE1 4.18Å; I78-F147 HydrophobicContact CD1-CG 4.45Å; I78-F147 HydrophobicContact CG1-CD1 4.5Å; L104-F147 HydrophobicContact CB-CE2 4.39Å; L104-F147 HydrophobicContact CB-CZ 4.04Å; L104-F147 HydrophobicContact CD1-CE1 4.17Å; L104-F147 HydrophobicContact CD1-CZ 3.81Å; L104-F147 HydrophobicContact CD2-CZ 4.09Å; L104-F147 HydrophobicContact CG-CZ 4.17Å; I138-F147 HydrophobicContact CD1-CE1 4.17Å; I138-F147 HydrophobicContact CG2-CZ 4.09Å; M142-F147 HydrophobicContact CE-CD2 3.81Å; M142-F147 HydrophobicContact CE-CE1 4.18Å; M142-F147 HydrophobicContact CE-CE2 3.2Å; M142-F147 HydrophobicContact CE-CZ 3.4Å; M142-F147 HydrophobicContact CG-CE2 4.36Å; P143-F147 WeakPolarHBondContact O-CD2 3.29Å; L144-F147 HydrophobicContact CD2-CD2 3.97Å; L144-F147 HydrophobicContact CD2-CE2 3.74Å; L144-F147 HydrophobicContact CD2-CZ 4.27Å; L144-F147 WeakPolarHBondContact O-CB 3.1Å; L144-F147 PolarHBondContact O-N 3.11Å; S145-F147 VanDerWaalsContact C-N 3.3Å; F147-C151 HydrophobicContact CD1-CB 4.06Å; F147-V153 HydrophobicContact CE1-CG1 4.39Å
148	P	84.5	Confident	87.1	Confident	43 Å²	43	24.2 Å²	24.2	28%	0.279	14%	0.142	S	C	.	.			trans	-63.1	168	169.8	27.6	-32.7	0	0	0	111.7	S150 C151	P148-S150 VanDerWaalsContact C-N 3.29Å; P148-S150 WeakPolarHBondContact CG-O 3.49Å; P148-S150 PolarHBondContact O-N 2.88Å; P148-C151 HydrophobicContact CG-CB 4.26Å
149	E	78	Confident	86.2	Confident	162 Å²	162	31.2 Å²	31.2	76%	0.757	17%	0.174	S	C	*	.	S	Bend	trans	-61.5	-36.1	-174.9	-65.4	179.1	171.8	0	0	113
150	S	76.6	Confident	84.8	Confident	81 Å²	81	33.8 Å²	33.8	57%	0.566	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	125	166.2	57.1	0	0	0	0	109.8	P148	P148-S150 VanDerWaalsContact C-N 3.29Å; P148-S150 WeakPolarHBondContact CG-O 3.49Å; P148-S150 PolarHBondContact O-N 2.88Å
151	C	87	Confident	83	Confident	2 Å²	2	43 Å²	43	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.6	176.6	-176.7	0	0	0	0	110.1	L79 E132 I134 F147 P148	L79-C151 PolarHBondContact N-O 2.82Å; E132-C151 WeakPolarHBondContact O-CA 3.42Å; E132-C151 PolarHBondContact O-SG 3Å; E132-C151 VanDerWaalsContact O-SG 3.39Å; I134-C151 WeakPolarHBondContact CG2-SG 3.44Å; F147-C151 HydrophobicContact CD1-CB 4.06Å; P148-C151 HydrophobicContact CG-CB 4.26Å
152	H	90.4	Very high	81.2	Confident	25 Å²	25	48 Å²	48	12%	0.116	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.1	171.1	-173.6	-153.6	0	0	0	109.8	L79 T81 T131 E132	L79-H152 HydrophobicContact CB-CB 4.28Å; L79-H152 CarbonylContact O-C 3.45Å; L79-H152 WeakPolarHBondContact O-CA 3.38Å; L79-H152 PolarHBondContact O-CD2 3.03Å; T81-H152 PolarHBondContact OG1-NE2 3.46Å; T131-H152 PolarHBondContact N-O 2.88Å; T131-H152 VanDerWaalsContact OG1-CG 3.29Å; T131-H152 PolarHBondContact OG1-ND1 3.32Å; T131-H152 VanDerWaalsContact OG1-ND1 3.09Å; T131-H152 PolarHBondContact OG1-O 2.87Å; T131-H152 VanDerWaalsContact OG1-O 3.13Å; E132-H152 HydrophobicContact CB-CB 3.59Å; E132-H152 PolarHBondContact N-O 2.65Å; E132-H152 PolarHBondContact O-N 3.11Å
153	V	92.6	Very high	78.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.4	175.3	-54.6	0	0	0	0	111.5	I78 L79 V80 T81 V128 R129 I138 F147	I78-V153 HydrophobicContact CG2-CG1 4.35Å; I78-V153 HydrophobicContact CG2-CG2 3.96Å; L79-V153 PolarHBondContact O-N 2.8Å; V80-V153 CarbonylContact C-O 3.58Å; V80-V153 WeakPolarHBondContact CA-O 3.48Å; V80-V153 HydrophobicContact CB-CG2 4.38Å; V80-V153 HydrophobicContact CG1-CG2 4.39Å; V80-V153 HydrophobicContact CG2-CG2 3.93Å; T81-V153 PolarHBondContact N-O 2.85Å; V128-V153 HydrophobicContact CG1-CB 3.67Å; V128-V153 HydrophobicContact CG1-CG1 4.22Å; V128-V153 HydrophobicContact CG1-CG2 3.9Å; R129-V153 CarbonylContact O-C 3.56Å; R129-V153 VanDerWaalsContact O-CA 3.31Å; R129-V153 WeakPolarHBondContact O-CA 3.27Å; I138-V153 HydrophobicContact CD1-CG1 3.57Å; F147-V153 HydrophobicContact CE1-CG1 4.39Å
154	V	91.3	Very high	76.4	Confident	28 Å²	28	64 Å²	64	17%	0.17	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.4	174.3	-177.6	0	0	0	0	109	T81 D83 V128 R129 T131 T156	T81-V154 CarbonylContact O-C 3.58Å; T81-V154 WeakPolarHBondContact O-CA 3.47Å; D83-V154 HydrophobicContact CB-CG1 3.71Å; V128-V154 WeakPolarHBondContact CA-O 3.32Å; R129-V154 PolarHBondContact N-O 3.05Å; R129-V154 PolarHBondContact O-N 3.13Å; T131-V154 HydrophobicContact CG2-CG2 3.65Å; V154-T156 HydrophobicContact CG1-CG2 4.45Å
155	I	90.8	Very high	74	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.9	178.6	-52.8	-174	0	0	0	109.4	V80 T81 L82 D83 V108 L114 M126 V128 F157	V80-I155 HydrophobicContact CG1-CD1 3.54Å; V80-I155 HydrophobicContact CG1-CG1 3.92Å; T81-I155 PolarHBondContact O-N 3.09Å; L82-I155 HydrophobicContact CD2-CB 4.05Å; L82-I155 HydrophobicContact CD2-CD1 4.13Å; L82-I155 HydrophobicContact CD2-CG1 4.39Å; D83-I155 PolarHBondContact N-O 3.39Å; V108-I155 HydrophobicContact CB-CD1 4.36Å; V108-I155 HydrophobicContact CG1-CD1 4.24Å; L114-I155 HydrophobicContact CD1-CD1 4.04Å; L114-I155 HydrophobicContact CD1-CG2 4.04Å; L114-I155 HydrophobicContact CD2-CD1 3.69Å; L114-I155 HydrophobicContact CG-CD1 4.5Å; M126-I155 HydrophobicContact CG-CG2 3.66Å; M126-I155 HydrophobicContact SD-CG2 3.84Å; V128-I155 HydrophobicContact CG1-CG1 4.34Å; V128-I155 HydrophobicContact CG2-CD1 4.46Å; V128-I155 HydrophobicContact CG2-CG1 4.13Å; I155-F157 HydrophobicContact CG2-CE2 4.5Å
156	T	89.5	Confident	71.5	Confident	30 Å²	30	78.9 Å²	78.9	18%	0.184	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159.1	176.9	54.9	0	0	0	0	110.3	D83 L127 V154	D83-T156 HydrophobicContact CB-CG2 3.82Å; L127-T156 PolarHBondContact N-O 2.88Å; L127-T156 PolarHBondContact O-N 3.1Å; L127-T156 PolarHBondContact O-OG1 3.11Å; V154-T156 HydrophobicContact CG1-CG2 4.45Å
157	F	86.5	Confident	68.8	Low	16 Å²	16	85 Å²	85	7%	0.07	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.7	177.4	-64.8	-88.3	0	0	0	112.7	V84 L114 E117 I118 H121 Q124 M126 I155 K203	V84-F157 HydrophobicContact CG1-CD2 4.01Å; V84-F157 HydrophobicContact CG1-CE2 4.02Å; L114-F157 HydrophobicContact CD1-CZ 4.08Å; E117-F157 HydrophobicContact CB-CE2 3.89Å; E117-F157 HydrophobicContact CB-CZ 4.11Å; I118-F157 HydrophobicContact CG1-CE1 4.25Å; I118-F157 HydrophobicContact CG1-CZ 4.17Å; H121-F157 HydrophobicContact CB-CB 4.09Å; H121-F157 HydrophobicContact CB-CD1 3.62Å; H121-F157 HydrophobicContact CB-CD2 4.17Å; H121-F157 HydrophobicContact CB-CE1 4.04Å; H121-F157 HydrophobicContact CB-CG 3.69Å; H121-F157 HydrophobicContact CB-CZ 4.5Å; H121-F157 AromaticContact CD2-CD2 3.86Å; H121-F157 AromaticContact CG-CD2 3.8Å; H121-F157 AromaticContact CG-CG 3.65Å; H121-F157 AromaticContact ND1-CG 3.86Å; Q124-F157 HydrophobicContact CB-CB 4.21Å; M126-F157 HydrophobicContact CB-CD1 4.18Å; M126-F157 HydrophobicContact CB-CE1 3.91Å; M126-F157 HydrophobicContact CG-CE1 3.99Å; M126-F157 HydrophobicContact CG-CZ 4.38Å; M126-F157 HydrophobicContact SD-CE1 4.2Å; M126-F157 HydrophobicContact SD-CZ 4.26Å; I155-F157 HydrophobicContact CG2-CE2 4.5Å; F157-K203 PolarHBondContact O-NZ 3.45Å
158	S	81.8	Confident	66.2	Low	5 Å²	5	92.4 Å²	92.4	4%	0.035	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129	-176.9	-174.8	0	0	0	0	112.4	Q124 E125 S160 K203	Q124-S158 CarbonylContact C-O 3.53Å; Q124-S158 VanDerWaalsContact CA-O 3.29Å; Q124-S158 WeakPolarHBondContact CA-O 3.39Å; Q124-S158 VanDerWaalsContact CB-O 3.31Å; Q124-S158 WeakPolarHBondContact CB-O 3.45Å; E125-S158 PolarHBondContact N-O 3.41Å; E125-S158 PolarHBondContact O-N 2.99Å; S158-S160 PolarHBondContact O-N 2.83Å; S158-S160 VanDerWaalsContact O-N 3.07Å; S158-K203 VanDerWaalsContact OG-CD 3.25Å; S158-K203 WeakPolarHBondContact OG-CD 3.35Å; S158-K203 WeakPolarHBondContact OG-CE 3.46Å; S158-K203 WeakPolarHBondContact OG-CG 3.22Å
159	Q	73.9	Confident	64	Low	153 Å²	153	98.7 Å²	98.7	72%	0.715	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	116.4	172.3	-69.4	179.8	-8	0	0	110.7
160	S	61	Low	62.6	Low	58 Å²	58	95.1 Å²	95.1	41%	0.406	47%	0.473	S	S	.	.			trans	-71.5	133.1	166.4	179.6	0	0	0	0	109.1	S158 N162	S158-S160 PolarHBondContact O-N 2.83Å; S158-S160 VanDerWaalsContact O-N 3.07Å; S160-N162 PolarHBondContact OG-N 2.9Å; S160-N162 PolarHBondContact OG-O 2.74Å
161	K	50	Low	61.6	Low	200 Å²	200	94.6 Å²	94.6	87%	0.87	46%	0.461	S	S	*	.	S	Bend	trans	-87.7	-7.3	171.5	-71.4	-166	174	-170.4	0	113.1
162	N	49.1	Very low	59.9	Low	114 Å²	114	95.7 Å²	95.7	61%	0.61	47%	0.473	S	S	*	.			trans	-99.7	105.7	176.5	-78.2	7	0	0	0	109.8	S160 Q164	S160-N162 PolarHBondContact OG-N 2.9Å; S160-N162 PolarHBondContact OG-O 2.74Å; N162-Q164 PolarHBondContact O-N 2.77Å
163	K	37.2	Very low	58.3	Low	218 Å²	218	97.7 Å²	97.7	95%	0.948	48%	0.479	S	S	*	.			trans	-83.8	50.1	158.6	-75.1	-169.4	173.9	-174.3	0	110.5
164	Q	39.3	Very low	56.1	Low	143 Å²	143	105 Å²	105	67%	0.668	51%	0.513	S	S	*	.			trans	-98.6	122.2	160.8	-80.4	179.8	-49.8	0	0	106.8	N162 E166	N162-Q164 PolarHBondContact O-N 2.77Å; Q164-E166 PolarHBondContact O-N 2.99Å
165	K	36.4	Very low	54.2	Low	211 Å²	211	109 Å²	109	92%	0.917	53%	0.533	S	S	*	.			trans	-73.5	85.7	162.7	-70.1	-176.9	176	-174.4	0	106.4
166	E	32.8	Very low	52.5	Low	156 Å²	156	119.6 Å²	119.6	73%	0.729	58%	0.579	S	S	*	*			trans	-69.5	132.3	151.2	-71.7	177.9	149.9	0	0	106.2	Q164	Q164-E166 PolarHBondContact O-N 2.99Å
167	D	28.3	Very low	50.4	Low	136 Å²	136	123.1 Å²	123.1	73%	0.727	61%	0.611	S	S	*	*			trans	-56.9	156.9	176.7	-72.5	-56.6	0	0	0	111.5	H169	D167-H169 PolarHBondContact O-N 3.1Å; D167-H169 PolarHBondContact O-ND1 3.05Å
168	N	33.7	Very low	48.8	Very low	159 Å²	159	124.5 Å²	124.5	85%	0.85	62%	0.623	S	S	*	*			trans	-56.2	62.9	-170.9	-68.2	-41.4	0	0	0	115.9	V170	N168-V170 PolarHBondContact O-N 3.14Å
169	H	38.1	Very low	47.8	Very low	175 Å²	175	130.8 Å²	130.8	81%	0.81	66%	0.662	S	S	*	*			trans	-78	82.1	164.6	-76.3	76.7	0	0	0	107.9	D167 F171	D167-H169 PolarHBondContact O-N 3.1Å; D167-H169 PolarHBondContact O-ND1 3.05Å; H169-F171 PolarHBondContact O-N 3.2Å
170	V	47.4	Very low	48	Very low	88 Å²	88	128.5 Å²	128.5	53%	0.533	65%	0.651	S	S	.	*			trans	-52.7	99.8	170.6	175.8	0	0	0	0	108.6	Y105 N168	Y105-V170 HydrophobicContact CD1-CG1 3.75Å; Y105-V170 HydrophobicContact CE1-CG1 3.78Å; N168-V170 PolarHBondContact O-N 3.14Å
171	F	56.4	Low	49.2	Very low	70 Å²	70	127.3 Å²	127.3	31%	0.307	64%	0.642	S	S	.	*	S	Bend	trans	37.8	98.6	168.7	-41.9	-72.8	0	0	0	115.8	Y105 L140 H169 R173	Y105-F171 HydrophobicContact CD1-CD2 4.04Å; Y105-F171 AromaticContact CD1-CE2 3.78Å; Y105-F171 HydrophobicContact CD1-CE2 3.78Å; Y105-F171 HydrophobicContact CD2-CD2 4.03Å; Y105-F171 AromaticContact CD2-CE2 3.33Å; Y105-F171 HydrophobicContact CD2-CE2 3.33Å; Y105-F171 AromaticContact CD2-CZ 3.98Å; Y105-F171 HydrophobicContact CD2-CZ 3.98Å; Y105-F171 HydrophobicContact CE1-CD2 4.47Å; Y105-F171 AromaticContact CE1-CE2 3.85Å; Y105-F171 HydrophobicContact CE1-CE2 3.85Å; Y105-F171 HydrophobicContact CE2-CD2 4.48Å; Y105-F171 AromaticContact CE2-CE2 3.42Å; Y105-F171 HydrophobicContact CE2-CE2 3.42Å; Y105-F171 VanDerWaalsContact CE2-CE2 3.42Å; Y105-F171 AromaticContact CE2-CZ 3.88Å; Y105-F171 HydrophobicContact CE2-CZ 3.88Å; Y105-F171 AromaticContact CG-CD2 3.79Å; Y105-F171 HydrophobicContact CG-CD2 3.79Å; Y105-F171 AromaticContact CG-CE2 3.51Å; Y105-F171 HydrophobicContact CG-CE2 3.51Å; Y105-F171 AromaticContact CZ-CE2 3.67Å; L140-F171 HydrophobicContact CB-CB 3.96Å; L140-F171 HydrophobicContact CB-CD1 3.67Å; L140-F171 HydrophobicContact CB-CD2 3.78Å; L140-F171 HydrophobicContact CB-CE1 4.15Å; L140-F171 HydrophobicContact CB-CE2 4.28Å; L140-F171 HydrophobicContact CB-CG 3.47Å; L140-F171 VanDerWaalsContact CB-CG 3.47Å; L140-F171 HydrophobicContact CB-CZ 4.45Å; L140-F171 HydrophobicContact CD1-CD1 3.75Å; L140-F171 HydrophobicContact CD1-CE1 3.4Å; L140-F171 VanDerWaalsContact CD1-CE1 3.4Å; L140-F171 HydrophobicContact CD1-CE2 4.28Å; L140-F171 HydrophobicContact CD1-CG 4.31Å; L140-F171 HydrophobicContact CD1-CZ 3.71Å; L140-F171 HydrophobicContact CG-CD1 4.34Å; L140-F171 HydrophobicContact CG-CE1 4.42Å; H169-F171 PolarHBondContact O-N 3.2Å; F171-R173 PolarHBondContact O-N 3.49Å
172	G	50.6	Low	51.1	Low	25 Å²	25	118 Å²	118	26%	0.258	60%	0.602	S	S	.	*	S	Bend	trans	-12.3	111.2	179.6	0	0	0	0	0	118.4	K227	G172-K227 CarbonylContact C-O 3.57Å; G172-K227 VanDerWaalsContact C-O 3.3Å; G172-K227 VanDerWaalsContact CA-O 3.31Å; G172-K227 WeakPolarHBondContact CA-O 3.4Å
173	R	57.3	Low	53.1	Low	66 Å²	66	114.9 Å²	114.9	25%	0.249	58%	0.583	C	S	.	*			trans	84.7	115.3	158.8	-146.6	-164.7	-170	174.2	-7.5	120.1	F171 Y214 E219 K227	F171-R173 PolarHBondContact O-N 3.49Å; R173-Y214 PolarHBondContact O-OH 3.39Å; R173-E219 IonicContact CZ-OE1 3.33Å; R173-E219 IonicContact CZ-OE2 2.79Å; R173-E219 IonicContact NH1-OE1 3.47Å; R173-E219 PolarHBondContact NH1-OE1 3.3Å; R173-E219 IonicContact NH1-OE2 3.94Å; R173-E219 PolarHBondContact NH1-OE2 2.66Å; R173-E219 IonicContact NH2-OE1 2.67Å; R173-E219 PolarHBondContact NH2-OE1 3.28Å; R173-K227 HydrophobicContact CB-CB 4.17Å; R173-K227 HydrophobicContact CG-CB 4.2Å; R173-K227 VanDerWaalsContact NH1-CD 3.32Å
174	H	47.3	Very low	55.8	Low	155 Å²	155	104.5 Å²	104.5	72%	0.718	54%	0.538	S	S	*	.			trans	-114.6	135.3	146.5	-75.2	-52.2	0	0	0	109.8
175	D	50.4	Low	58.4	Low	112 Å²	112	98.6 Å²	98.6	60%	0.599	51%	0.51	S	S	*	.			trans	-150.5	128.7	147.9	-103.2	-38.8	0	0	0	107.2	A177	D175-A177 PolarHBondContact O-N 3.36Å
176	K	54.6	Low	61.1	Low	221 Å²	221	88.6 Å²	88.6	96%	0.961	47%	0.466	S	S	*	.			trans	-95.5	90.9	-178.6	-90.6	-175.5	171.8	-179.2	0	110
177	A	46.9	Very low	63.9	Low	104 Å²	104	83.1 Å²	83.1	86%	0.86	44%	0.441	S	S	*	.	S	Bend	trans	-131.4	-23	171.5	0	0	0	0	0	114.3	D175	D175-A177 PolarHBondContact O-N 3.36Å
178	S	52.1	Low	66.7	Low	46 Å²	46	76.7 Å²	76.7	32%	0.322	41%	0.406	S	S	.	.			trans	-134.4	144	179.2	-178.4	0	0	0	0	111.2	E180 F216	S178-E180 PolarHBondContact OG-N 3.05Å; S178-F216 WeakPolarHBondContact O-CD1 3.33Å; S178-F216 WeakPolarHBondContact O-CE1 3.48Å
179	T	60.8	Low	69.1	Low	137 Å²	137	70.5 Å²	70.5	84%	0.84	37%	0.374	S	S	*	.	S	Bend	trans	-91.8	-13.5	175.9	28.5	0	0	0	0	113.5
180	E	78.6	Confident	71.2	Confident	105 Å²	105	62.3 Å²	62.3	49%	0.491	34%	0.337	S	S	.	.			trans	-99.1	111.4	-177.4	-65.8	-165.2	174.7	0	0	111.8	S178 F216 K217	S178-E180 PolarHBondContact OG-N 3.05Å; E180-F216 WeakPolarHBondContact O-CA 3.34Å; E180-K217 HydrophobicContact CB-CD 4.15Å; E180-K217 HydrophobicContact CB-CG 4.3Å; E180-K217 PolarHBondContact O-N 3.26Å; E180-K217 WeakPolarHBondContact OE2-CD 3.29Å; E180-K217 VanDerWaalsContact OE2-CE 3.23Å; E180-K217 WeakPolarHBondContact OE2-CE 3.41Å; E180-K217 IonicContact OE2-NZ 3.37Å; E180-K217 PolarHBondContact OE2-NZ 2.77Å
181	C	85.8	Confident	72.6	Confident	32 Å²	32	60.4 Å²	60.4	22%	0.216	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142.1	174.2	-61.4	0	0	0	0	111.3	C146 A215 F216	C146-C181 WeakPolarHBondContact SG-CB 3.24Å; C181-A215 CarbonylContact C-O 3.56Å; C181-A215 VanDerWaalsContact CA-O 3.29Å; C181-A215 WeakPolarHBondContact CA-O 3.3Å; C181-F216 VanDerWaalsContact SG-CE1 3.5Å
182	V	89.9	Confident	73.2	Confident	4 Å²	4	59 Å²	59	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.5	167.2	-178.3	0	0	0	0	109.3	Y214 A215 K217 V256 L259 E260	V182-Y214 WeakPolarHBondContact O-CA 3.34Å; V182-A215 PolarHBondContact N-O 2.78Å; V182-A215 PolarHBondContact O-N 3.02Å; V182-K217 HydrophobicContact CG2-CG 3.8Å; V182-V256 HydrophobicContact CB-CG2 4.41Å; V182-V256 WeakPolarHBondContact CG1-O 3.49Å; V182-L259 HydrophobicContact CG1-CB 4.37Å; V182-E260 WeakPolarHBondContact CA-OE2 3.24Å; V182-E260 HydrophobicContact CG1-CB 3.97Å
183	K	91.9	Very high	73.6	Confident	49 Å²	49	66.8 Å²	66.8	21%	0.213	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131	176.6	57	177.8	179.4	-57.2	0	112.1	C146 V213 E260 G261	C146-K183 WeakPolarHBondContact O-CD 3.33Å; C146-K183 WeakPolarHBondContact O-CE 3.34Å; K183-V213 VanDerWaalsContact CA-O 3.3Å; K183-V213 WeakPolarHBondContact CA-O 3.32Å; K183-E260 WeakPolarHBondContact CE-OE1 3.24Å; K183-E260 VanDerWaalsContact CG-OE1 3.24Å; K183-E260 WeakPolarHBondContact CG-OE1 3.23Å; K183-E260 WeakPolarHBondContact CG-OE2 3.27Å; K183-E260 PolarHBondContact N-OE2 3.46Å; K183-E260 IonicContact NZ-OE1 3.86Å; K183-E260 PolarHBondContact NZ-OE1 2.81Å; K183-E260 WeakPolarHBondContact O-CA 3.48Å; K183-G261 PolarHBondContact O-N 3.4Å
184	F	94.1	Very high	73.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.7	-176.7	64.5	-81.9	0	0	0	111.9	I186 V213 A215 A224 L225 L242 V256 L259 F264	F184-I186 HydrophobicContact CD2-CD1 3.95Å; F184-I186 HydrophobicContact CD2-CG1 4.33Å; F184-I186 HydrophobicContact CE2-CD1 3.87Å; F184-I186 HydrophobicContact CE2-CG1 4.15Å; F184-V213 HydrophobicContact CD1-CB 4.44Å; F184-V213 HydrophobicContact CD2-CB 4.49Å; F184-V213 HydrophobicContact CE1-CB 4.15Å; F184-V213 HydrophobicContact CE1-CG1 3.93Å; F184-V213 HydrophobicContact CE2-CB 4.22Å; F184-V213 HydrophobicContact CE2-CG1 4.36Å; F184-V213 HydrophobicContact CZ-CB 4.04Å; F184-V213 HydrophobicContact CZ-CG1 3.76Å; F184-V213 PolarHBondContact N-O 3.27Å; F184-V213 PolarHBondContact O-N 2.64Å; F184-A215 HydrophobicContact CE1-CB 4.42Å; F184-A224 HydrophobicContact CE1-CB 4.19Å; F184-A224 HydrophobicContact CZ-CB 3.89Å; F184-L225 HydrophobicContact CE2-CD1 3.73Å; F184-L225 HydrophobicContact CZ-CD1 3.79Å; F184-L242 HydrophobicContact CE2-CD1 4.5Å; F184-V256 HydrophobicContact CE1-CB 4.38Å; F184-V256 HydrophobicContact CE1-CG1 3.94Å; F184-V256 HydrophobicContact CZ-CG1 4.2Å; F184-L259 HydrophobicContact CB-CB 4Å; F184-L259 VanDerWaalsContact CB-O 3.27Å; F184-L259 WeakPolarHBondContact CB-O 3.37Å; F184-L259 HydrophobicContact CD1-CB 4.3Å; F184-L259 HydrophobicContact CD2-CD1 4.44Å; F184-L259 HydrophobicContact CE2-CD1 4.44Å; F184-L259 HydrophobicContact CG-CB 4.13Å; F184-L259 HydrophobicContact CG-CD1 4.5Å; F184-F264 HydrophobicContact CB-CE2 4.25Å; F184-F264 HydrophobicContact CD2-CD2 4.1Å; F184-F264 HydrophobicContact CD2-CE2 4.16Å
185	Y	93.8	Very high	74.4	Confident	20 Å²	20	72.9 Å²	72.9	8%	0.078	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.7	-166.1	-58.6	-79.3	0	0	0	113.3	Q135 L211 C212 K262 H263 F264	Q135-Y185 HydrophobicContact CB-CE1 4.21Å; Q135-Y185 VanDerWaalsContact O-CE1 3.27Å; Q135-Y185 WeakPolarHBondContact O-CE1 3.38Å; Y185-L211 CarbonylContact C-O 3.6Å; Y185-L211 WeakPolarHBondContact CA-O 3.25Å; Y185-C212 HydrophobicContact CD1-CB 3.99Å; Y185-C212 HydrophobicContact CE1-CB 3.74Å; Y185-K262 PolarHBondContact N-O 3.48Å; Y185-H263 AromaticContact CD2-CE1 3.28Å; Y185-H263 WeakPolarHBondContact CD2-CE1 3.41Å; Y185-H263 AromaticContact CD2-ND1 3.65Å; Y185-H263 AromaticContact CD2-NE2 3.71Å; Y185-H263 AromaticContact CE2-CE1 3.86Å; Y185-H263 AromaticContact CG-CE1 3.84Å; Y185-H263 AromaticContact CG-NE2 3.77Å; Y185-H263 WeakPolarHBondContact O-CA 3.44Å; Y185-F264 PolarHBondContact O-N 3.05Å
186	I	92.9	Very high	75.4	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.9	177.5	-55.6	-57.9	0	0	0	111	F184 I198 K210 L211 V213 L225 F231 L242 F264 V266	F184-I186 HydrophobicContact CD2-CD1 3.95Å; F184-I186 HydrophobicContact CD2-CG1 4.33Å; F184-I186 HydrophobicContact CE2-CD1 3.87Å; F184-I186 HydrophobicContact CE2-CG1 4.15Å; I186-I198 HydrophobicContact CG2-CD1 3.88Å; I186-K210 CarbonylContact O-C 3.53Å; I186-K210 WeakPolarHBondContact O-CA 3.47Å; I186-L211 PolarHBondContact N-O 2.98Å; I186-L211 PolarHBondContact O-N 3.22Å; I186-V213 HydrophobicContact CB-CG2 4.48Å; I186-V213 HydrophobicContact CG1-CG2 3.86Å; I186-L225 HydrophobicContact CD1-CD1 4.47Å; I186-L225 HydrophobicContact CD1-CD2 4.49Å; I186-L225 HydrophobicContact CG1-CD1 4.31Å; I186-L225 HydrophobicContact CG1-CD2 4.18Å; I186-L225 HydrophobicContact CG1-CG 4.44Å; I186-F231 HydrophobicContact CB-CE1 4.07Å; I186-F231 HydrophobicContact CB-CZ 3.92Å; I186-F231 HydrophobicContact CG1-CE1 4.49Å; I186-F231 HydrophobicContact CG1-CZ 4.07Å; I186-F231 HydrophobicContact CG2-CE1 3.72Å; I186-F231 HydrophobicContact CG2-CZ 4.1Å; I186-L242 HydrophobicContact CD1-CD1 3.97Å; I186-L242 HydrophobicContact CD1-CD2 3.75Å; I186-F264 HydrophobicContact CD1-CB 3.84Å; I186-F264 HydrophobicContact CD1-CD2 4.16Å; I186-F264 HydrophobicContact CD1-CG 4.42Å; I186-V266 HydrophobicContact CG2-CG2 3.89Å
187	H	90.9	Very high	76.8	Confident	42 Å²	42	67.5 Å²	67.5	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.7	172	-67.8	81.7	0	0	0	111.5	V189 I198 F264 Q265	H187-V189 PolarHBondContact O-N 2.82Å; H187-I198 WeakPolarHBondContact O-CD1 3.37Å; H187-F264 PolarHBondContact N-O 3.33Å; H187-F264 PolarHBondContact ND1-O 3.13Å; H187-Q265 HydrophobicContact CB-CG 4.07Å
188	A	86.4	Confident	78.7	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.008	30%	0.302	C	S	.	.	S	Bend	trans	-71.8	9	-175.1	0	0	0	0	0	115.6	V199 L204 H205 C209	A188-V199 HydrophobicContact CB-CG1 3.81Å; A188-V199 HydrophobicContact CB-CG2 4.37Å; A188-L204 WeakPolarHBondContact CB-O 3.19Å; A188-H205 PolarHBondContact O-ND1 3.05Å; A188-C209 HydrophobicContact CB-CB 3.99Å; A188-C209 PolarHBondContact N-O 3.42Å
189	V	85.4	Confident	80.4	Confident	29 Å²	29	60.3 Å²	60.3	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.8	175.4	-179.3	0	0	0	0	106.8	H187 K195 K206	H187-V189 PolarHBondContact O-N 2.82Å; V189-K195 HydrophobicContact CG1-CB 4.18Å; V189-K206 WeakPolarHBondContact CG2-O 3.48Å
190	G	82.3	Confident	81.6	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	154.5	176.1	0	0	0	0	0	112.1	R196 V266	G190-R196 PolarHBondContact N-O 2.9Å; G190-V266 CarbonylContact C-O 3.59Å; G190-V266 VanDerWaalsContact CA-O 3.23Å; G190-V266 WeakPolarHBondContact CA-O 3.5Å
191	I	75.7	Confident	81.8	Confident	48 Å²	48	53.9 Å²	53.9	25%	0.246	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-95.9	173	179.4	45.6	173.1	0	0	0	112.4	I243 Q265 V266 E267	I191-I243 HydrophobicContact CD1-CB 4.11Å; I191-I243 HydrophobicContact CD1-CD1 3.81Å; I191-I243 HydrophobicContact CD1-CG1 4.21Å; I191-Q265 HydrophobicContact CD1-CB 3.85Å; I191-Q265 HydrophobicContact CG1-CB 4.11Å; I191-V266 WeakPolarHBondContact CG1-O 3.25Å; I191-V266 PolarHBondContact N-O 2.91Å; I191-E267 HydrophobicContact CD1-CB 4.15Å; I191-E267 HydrophobicContact CG1-CB 3.89Å
192	G	69.5	Low	81.6	Confident	40 Å²	40	54.6 Å²	54.6	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	109.5	-179.5	-173.3	0	0	0	0	0	114	Y194	G192-Y194 PolarHBondContact O-N 2.81Å
193	K	58.2	Low	81.2	Confident	189 Å²	189	59.2 Å²	59.2	82%	0.822	28%	0.278	S	S	*	.	S	Bend	trans	-55.3	-23.8	-169.8	-172.3	168.7	-177.7	168	0	115.4
194	Y	55.8	Low	80.9	Confident	180 Å²	180	57 Å²	57	71%	0.706	27%	0.269	S	S	*	.	S	Bend	trans	-132.9	114.9	170.9	-53.2	-82	0	0	0	107.8	G192 R196	G192-Y194 PolarHBondContact O-N 2.81Å; Y194-R196 WeakPolarHBondContact O-CG 3.48Å; Y194-R196 PolarHBondContact O-N 2.94Å
195	K	65.9	Low	80.6	Confident	169 Å²	169	59.8 Å²	59.8	74%	0.735	28%	0.281	S	S	*	.			trans	-54.2	108	177.4	-68.4	174.1	-178.1	167.5	0	109.4	V189	V189-K195 HydrophobicContact CG1-CB 4.18Å
196	R	72.1	Confident	80.1	Confident	108 Å²	108	65 Å²	65	41%	0.408	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	143.4	-177.1	-73	-165.5	-178.5	-169	7.6	110.9	G190 Y194 H205 D238	G190-R196 PolarHBondContact N-O 2.9Å; Y194-R196 WeakPolarHBondContact O-CG 3.48Å; Y194-R196 PolarHBondContact O-N 2.94Å; R196-H205 PolarHBondContact O-CE1 2.92Å; R196-D238 IonicContact NH1-OD2 3.62Å
197	R	83.7	Confident	79.3	Confident	112 Å²	112	74.7 Å²	74.7	42%	0.423	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.1	162	178.6	173.9	167.4	-164.8	-1.2	108.6	V199 K200 H205 L232	R197-V199 HydrophobicContact CG-CG2 4.32Å; R197-V199 WeakPolarHBondContact CG-O 3.47Å; R197-V199 PolarHBondContact NE-O 3.17Å; R197-K200 PolarHBondContact NH2-O 2.76Å; R197-H205 WeakPolarHBondContact CA-CE1 3.42Å; R197-H205 WeakPolarHBondContact CA-ND1 3.39Å; R197-H205 HydrophobicContact CG-CB 3.96Å; R197-L232 HydrophobicContact CG-CD1 4.13Å; R197-L232 WeakPolarHBondContact O-CD1 3.44Å
198	I	87.4	Confident	78.7	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.368	C	S	.	.			trans	-112.3	-2.2	179.6	78	175.5	0	0	0	112.9	I186 H187 F231 L232 F234 V266	I186-I198 HydrophobicContact CG2-CD1 3.88Å; H187-I198 WeakPolarHBondContact O-CD1 3.37Å; I198-F231 HydrophobicContact CD1-CD1 4.28Å; I198-F231 HydrophobicContact CD1-CE1 4.13Å; I198-F231 HydrophobicContact CG1-CD1 4.24Å; I198-F231 HydrophobicContact CG1-CE1 4.47Å; I198-F231 CarbonylContact O-C 3.19Å; I198-F231 WeakPolarHBondContact O-CA 3.48Å; I198-L232 PolarHBondContact O-N 2.72Å; I198-F234 HydrophobicContact CB-CE1 4.45Å; I198-F234 HydrophobicContact CB-CZ 4.11Å; I198-F234 HydrophobicContact CG2-CZ 3.92Å; I198-V266 HydrophobicContact CD1-CB 4.16Å; I198-V266 HydrophobicContact CD1-CG2 3.78Å
199	V	87.9	Confident	78.7	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-120.7	140.9	-169.6	-61.2	0	0	0	0	112.7	A188 R197 C201 L204 H205 L211	A188-V199 HydrophobicContact CB-CG1 3.81Å; A188-V199 HydrophobicContact CB-CG2 4.37Å; R197-V199 HydrophobicContact CG-CG2 4.32Å; R197-V199 WeakPolarHBondContact CG-O 3.47Å; R197-V199 PolarHBondContact NE-O 3.17Å; V199-C201 WeakPolarHBondContact CG2-O 3.45Å; V199-L204 HydrophobicContact CG2-CB 4.03Å; V199-H205 HydrophobicContact CG2-CB 3.91Å; V199-L211 HydrophobicContact CG1-CD1 3.49Å; V199-L211 VanDerWaalsContact CG1-CD1 3.49Å
200	K	85.9	Confident	79	Confident	102 Å²	102	77.7 Å²	77.7	44%	0.443	38%	0.377	S	S	.	.	S	Bend	trans	-65	-41.5	177.3	-72.4	-179	-173	168	0	112	R197 G202 G229 R230 F231 L232	R197-K200 PolarHBondContact NH2-O 2.76Å; K200-G202 PolarHBondContact O-N 3.24Å; K200-G229 VanDerWaalsContact CD-O 3.29Å; K200-G229 WeakPolarHBondContact CD-O 3.43Å; K200-G229 VanDerWaalsContact CE-O 3.25Å; K200-G229 WeakPolarHBondContact CE-O 3.23Å; K200-G229 PolarHBondContact NZ-O 2.87Å; K200-R230 PolarHBondContact N-O 2.81Å; K200-F231 VanDerWaalsContact CE-O 3.23Å; K200-F231 WeakPolarHBondContact CE-O 3.17Å; K200-F231 WeakPolarHBondContact CG-O 3.45Å; K200-L232 HydrophobicContact CG-CD2 3.97Å
201	C	82.4	Confident	79.5	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.034	38%	0.376	C	S	.	.			trans	-75.8	122.7	177.4	-173.4	0	0	0	0	112.5	E125 V199 K203 L204	E125-C201 WeakPolarHBondContact OE2-CB 3.41Å; E125-C201 PolarHBondContact OE2-SG 3.44Å; V199-C201 WeakPolarHBondContact CG2-O 3.45Å; C201-K203 VanDerWaalsContact C-N 3.34Å; C201-K203 PolarHBondContact O-N 2.92Å; C201-L204 HydrophobicContact CB-CB 4.31Å; C201-L204 HydrophobicContact CB-CD1 3.73Å; C201-L204 HydrophobicContact CB-CG 3.72Å; C201-L204 PolarHBondContact O-N 3.43Å
202	G	80.6	Confident	80.4	Confident	47 Å²	47	75.4 Å²	75.4	49%	0.485	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-66.2	-29.9	179.5	0	0	0	0	0	114.5	K200 L204 H205	K200-G202 PolarHBondContact O-N 3.24Å; G202-L204 VanDerWaalsContact C-N 3.28Å; G202-L204 PolarHBondContact O-N 2.66Å; G202-H205 PolarHBondContact O-N 2.88Å
203	K	83.3	Confident	81.5	Confident	100 Å²	100	73.5 Å²	73.5	44%	0.435	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-67.5	-28.5	177.8	-75.8	-166.3	-171.6	-179.3	0	112.7	L127 F157 S158 C201 K206	L127-K203 HydrophobicContact CD1-CB 4.45Å; F157-K203 PolarHBondContact O-NZ 3.45Å; S158-K203 VanDerWaalsContact OG-CD 3.25Å; S158-K203 WeakPolarHBondContact OG-CD 3.35Å; S158-K203 WeakPolarHBondContact OG-CE 3.46Å; S158-K203 WeakPolarHBondContact OG-CG 3.22Å; C201-K203 VanDerWaalsContact C-N 3.34Å; C201-K203 PolarHBondContact O-N 2.92Å; K203-K206 WeakPolarHBondContact O-CE 3.48Å
204	L	85.8	Confident	83.1	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-79.5	-19.2	-178	-57.9	-175.4	0	0	0	113	L127 Y137 A188 V199 C201 G202 K206 C209 L211	L127-L204 HydrophobicContact CD1-CD2 4.06Å; L127-L204 HydrophobicContact CD2-CD1 4.16Å; L127-L204 HydrophobicContact CD2-CD2 4.39Å; L127-L204 HydrophobicContact CD2-CG 4.44Å; Y137-L204 HydrophobicContact CD1-CD2 3.59Å; Y137-L204 HydrophobicContact CD2-CD2 3.54Å; Y137-L204 HydrophobicContact CE1-CD2 3.57Å; Y137-L204 HydrophobicContact CE2-CD2 3.51Å; Y137-L204 HydrophobicContact CG-CD2 3.57Å; A188-L204 WeakPolarHBondContact CB-O 3.19Å; V199-L204 HydrophobicContact CG2-CB 4.03Å; C201-L204 HydrophobicContact CB-CB 4.31Å; C201-L204 HydrophobicContact CB-CD1 3.73Å; C201-L204 HydrophobicContact CB-CG 3.72Å; C201-L204 PolarHBondContact O-N 3.43Å; G202-L204 VanDerWaalsContact C-N 3.28Å; G202-L204 PolarHBondContact O-N 2.66Å; L204-K206 PolarHBondContact O-N 2.84Å; L204-C209 WeakPolarHBondContact O-CB 3.3Å; L204-L211 HydrophobicContact CD1-CD2 4.15Å
205	H	86.1	Confident	84.8	Confident	58 Å²	58	56.9 Å²	56.9	27%	0.269	28%	0.276	S	S	.	.			trans	-78.9	69.4	178.7	-173.1	53.9	0	0	0	112	A188 R196 R197 V199 G202	A188-H205 PolarHBondContact O-ND1 3.05Å; R196-H205 PolarHBondContact O-CE1 2.92Å; R197-H205 WeakPolarHBondContact CA-CE1 3.42Å; R197-H205 WeakPolarHBondContact CA-ND1 3.39Å; R197-H205 HydrophobicContact CG-CB 3.96Å; V199-H205 HydrophobicContact CG2-CB 3.91Å; G202-H205 PolarHBondContact O-N 2.88Å
206	K	83.5	Confident	85.9	Confident	129 Å²	129	50.3 Å²	50.3	56%	0.561	25%	0.248	S	C	*	.	S	Bend	trans	-133.6	148.8	175.8	-60.4	178.9	-177.8	-179.5	0	110.1	V189 K203 L204 G208 C209	V189-K206 WeakPolarHBondContact CG2-O 3.48Å; K203-K206 WeakPolarHBondContact O-CE 3.48Å; L204-K206 PolarHBondContact O-N 2.84Å; K206-G208 PolarHBondContact O-N 3.03Å; K206-C209 WeakPolarHBondContact O-CB 3.47Å; K206-C209 PolarHBondContact O-N 3.4Å; K206-C209 VanDerWaalsContact O-N 3.14Å
207	K	76.8	Confident	86.6	Confident	204 Å²	204	49.6 Å²	49.6	89%	0.887	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	130.9	175.8	-169.2	-174.7	179.6	-168.8	0	109.1
208	G	77.3	Confident	86.6	Confident	62 Å²	62	47.1 Å²	47.1	64%	0.639	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-7.7	-178.1	0	0	0	0	0	115.6	K206 K210	K206-G208 PolarHBondContact O-N 3.03Å; G208-K210 PolarHBondContact O-N 2.78Å
209	C	87.1	Confident	86.7	Confident	22 Å²	22	48.6 Å²	48.6	15%	0.149	26%	0.264	C	S	.	.			trans	-72.9	127.2	170.1	-71.6	0	0	0	0	110.7	A188 L204 K206	A188-C209 HydrophobicContact CB-CB 3.99Å; A188-C209 PolarHBondContact N-O 3.42Å; L204-C209 WeakPolarHBondContact O-CB 3.3Å; K206-C209 WeakPolarHBondContact O-CB 3.47Å; K206-C209 PolarHBondContact O-N 3.4Å; K206-C209 VanDerWaalsContact O-N 3.14Å
210	K	91.8	Very high	86.8	Confident	52 Å²	52	50.4 Å²	50.4	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.8	173.7	-59.6	178.1	-177	178.1	0	110.3	G136 Y137 I186 G208 H263	G136-K210 CarbonylContact C-O 3.58Å; G136-K210 WeakPolarHBondContact CA-O 3.2Å; Y137-K210 PolarHBondContact N-O 2.67Å; I186-K210 CarbonylContact O-C 3.53Å; I186-K210 WeakPolarHBondContact O-CA 3.47Å; G208-K210 PolarHBondContact O-N 2.78Å; K210-H263 PolarHBondContact NZ-CD2 3.23Å; K210-H263 PolarHBondContact NZ-NE2 3.35Å
211	L	93.6	Very high	87.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.5	168.7	-73.8	163.7	0	0	0	108.6	Y185 I186 V199 L204 F231	Y185-L211 CarbonylContact C-O 3.6Å; Y185-L211 WeakPolarHBondContact CA-O 3.25Å; I186-L211 PolarHBondContact N-O 2.98Å; I186-L211 PolarHBondContact O-N 3.22Å; V199-L211 HydrophobicContact CG1-CD1 3.49Å; V199-L211 VanDerWaalsContact CG1-CD1 3.49Å; L204-L211 HydrophobicContact CD1-CD2 4.15Å; L211-F231 HydrophobicContact CB-CZ 4.18Å; L211-F231 HydrophobicContact CD1-CD1 4.19Å; L211-F231 HydrophobicContact CD1-CE1 3.5Å; L211-F231 VanDerWaalsContact CD1-CE1 3.5Å; L211-F231 HydrophobicContact CD1-CE2 4.16Å; L211-F231 HydrophobicContact CD1-CZ 3.49Å; L211-F231 VanDerWaalsContact CD1-CZ 3.49Å; L211-F231 HydrophobicContact CG-CZ 4.47Å
212	C	93.8	Very high	87.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.7	165.3	-174	0	0	0	0	107.9	Y137 Y185 R230	Y137-C212 PolarHBondContact O-N 3.39Å; Y185-C212 HydrophobicContact CD1-CB 3.99Å; Y185-C212 HydrophobicContact CE1-CB 3.74Å; C212-R230 PolarHBondContact O-NH2 2.97Å
213	V	93.3	Very high	87.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.9	176	-174.7	0	0	0	0	107.8	K183 F184 I186 A224 D228 F231	K183-V213 VanDerWaalsContact CA-O 3.3Å; K183-V213 WeakPolarHBondContact CA-O 3.32Å; F184-V213 HydrophobicContact CD1-CB 4.44Å; F184-V213 HydrophobicContact CD2-CB 4.49Å; F184-V213 HydrophobicContact CE1-CB 4.15Å; F184-V213 HydrophobicContact CE1-CG1 3.93Å; F184-V213 HydrophobicContact CE2-CB 4.22Å; F184-V213 HydrophobicContact CE2-CG1 4.36Å; F184-V213 HydrophobicContact CZ-CB 4.04Å; F184-V213 HydrophobicContact CZ-CG1 3.76Å; F184-V213 PolarHBondContact N-O 3.27Å; F184-V213 PolarHBondContact O-N 2.64Å; I186-V213 HydrophobicContact CB-CG2 4.48Å; I186-V213 HydrophobicContact CG1-CG2 3.86Å; V213-A224 HydrophobicContact CG1-CB 4.38Å; V213-D228 HydrophobicContact CG1-CB 4.39Å; V213-F231 HydrophobicContact CG2-CE2 3.66Å; V213-F231 HydrophobicContact CG2-CZ 3.65Å
214	Y	91.3	Very high	88.2	Confident	17 Å²	17	44.5 Å²	44.5	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.5	168.8	77.6	-78.2	0	0	0	109.4	N139 G141 M142 P143 R173 V182	N139-Y214 HydrophobicContact CB-CD1 4.09Å; N139-Y214 HydrophobicContact CB-CE1 3.88Å; G141-Y214 PolarHBondContact O-OH 3.45Å; M142-Y214 VanDerWaalsContact CA-CE1 3.5Å; M142-Y214 HydrophobicContact CB-CD1 3.62Å; M142-Y214 HydrophobicContact CB-CE1 3.82Å; M142-Y214 HydrophobicContact CB-CG 4.18Å; M142-Y214 HydrophobicContact CG-CD1 3.64Å; M142-Y214 HydrophobicContact CG-CD2 4.43Å; M142-Y214 HydrophobicContact CG-CE1 4.3Å; M142-Y214 HydrophobicContact CG-CG 3.72Å; M142-Y214 HydrophobicContact SD-CD1 4.2Å; M142-Y214 HydrophobicContact SD-CG 4.33Å; P143-Y214 HydrophobicContact CG-CE2 4.42Å; R173-Y214 PolarHBondContact O-OH 3.39Å; V182-Y214 WeakPolarHBondContact O-CA 3.34Å
215	A	91.2	Very high	88.5	Confident	3 Å²	3	44.3 Å²	44.3	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164.8	174.9	0	0	0	0	0	109.4	C181 V182 F184 A224 V256	C181-A215 CarbonylContact C-O 3.56Å; C181-A215 VanDerWaalsContact CA-O 3.29Å; C181-A215 WeakPolarHBondContact CA-O 3.3Å; V182-A215 PolarHBondContact N-O 2.78Å; V182-A215 PolarHBondContact O-N 3.02Å; F184-A215 HydrophobicContact CE1-CB 4.42Å; A215-A224 HydrophobicContact CB-CB 3.55Å; A215-V256 HydrophobicContact CB-CB 4.38Å; A215-V256 HydrophobicContact CB-CG1 4.08Å; A215-V256 HydrophobicContact CB-CG2 3.88Å
216	F	88.8	Confident	88.5	Confident	32 Å²	32	42.9 Å²	42.9	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	155.5	174	-60.3	-77.1	0	0	0	110.8	S178 E180 C181 E219 V256	S178-F216 WeakPolarHBondContact O-CD1 3.33Å; S178-F216 WeakPolarHBondContact O-CE1 3.48Å; E180-F216 WeakPolarHBondContact O-CA 3.34Å; C181-F216 VanDerWaalsContact SG-CE1 3.5Å; F216-E219 HydrophobicContact CB-CG 4.01Å; F216-E219 PolarHBondContact N-OE2 2.62Å; F216-E219 VanDerWaalsContact O-CB 3.32Å; F216-E219 WeakPolarHBondContact O-CB 3.31Å; F216-E219 VanDerWaalsContact O-CG 3.25Å; F216-E219 WeakPolarHBondContact O-CG 3.32Å; F216-E219 PolarHBondContact O-N 2.97Å; F216-V256 WeakPolarHBondContact O-CG2 3.47Å
217	K	87.6	Confident	88.7	Confident	92 Å²	92	40.3 Å²	40.3	40%	0.4	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	145.7	168.2	-74.7	-169.7	-178.9	170.1	0	111.4	E180 V182 E219 D257	E180-K217 HydrophobicContact CB-CD 4.15Å; E180-K217 HydrophobicContact CB-CG 4.3Å; E180-K217 PolarHBondContact O-N 3.26Å; E180-K217 WeakPolarHBondContact OE2-CD 3.29Å; E180-K217 VanDerWaalsContact OE2-CE 3.23Å; E180-K217 WeakPolarHBondContact OE2-CE 3.41Å; E180-K217 IonicContact OE2-NZ 3.37Å; E180-K217 PolarHBondContact OE2-NZ 2.77Å; V182-K217 HydrophobicContact CG2-CG 3.8Å; K217-E219 VanDerWaalsContact C-N 3.31Å; K217-D257 WeakPolarHBondContact CA-OD1 3.31Å; K217-D257 HydrophobicContact CG-CB 4.48Å
218	G	83.9	Confident	89.3	Confident	60 Å²	60	30.9 Å²	30.9	62%	0.619	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-7.3	-172	0	0	0	0	0	114.6	D257	G218-D257 PolarHBondContact N-OD1 3.07Å; G218-D257 PolarHBondContact N-OD2 2.78Å
219	E	88.4	Confident	89.6	Confident	31 Å²	31	29 Å²	29	15%	0.145	16%	0.163	C	C	.	.			trans	-87.2	147	-178.9	-57	-154.1	111.2	0	0	112.6	R173 F216 K217 P255 V256	R173-E219 IonicContact CZ-OE1 3.33Å; R173-E219 IonicContact CZ-OE2 2.79Å; R173-E219 IonicContact NH1-OE1 3.47Å; R173-E219 PolarHBondContact NH1-OE1 3.3Å; R173-E219 IonicContact NH1-OE2 3.94Å; R173-E219 PolarHBondContact NH1-OE2 2.66Å; R173-E219 IonicContact NH2-OE1 2.67Å; R173-E219 PolarHBondContact NH2-OE1 3.28Å; F216-E219 HydrophobicContact CB-CG 4.01Å; F216-E219 PolarHBondContact N-OE2 2.62Å; F216-E219 VanDerWaalsContact O-CB 3.32Å; F216-E219 WeakPolarHBondContact O-CB 3.31Å; F216-E219 VanDerWaalsContact O-CG 3.25Å; F216-E219 WeakPolarHBondContact O-CG 3.32Å; F216-E219 PolarHBondContact O-N 2.97Å; K217-E219 VanDerWaalsContact C-N 3.31Å; E219-P255 CarbonylContact O-C 3.5Å; E219-P255 VanDerWaalsContact O-CA 3.29Å; E219-P255 WeakPolarHBondContact O-CA 3.35Å; E219-V256 HydrophobicContact CB-CG2 4.34Å; E219-V256 WeakPolarHBondContact O-CG1 3.44Å; E219-V256 WeakPolarHBondContact O-CG2 3.44Å; E219-V256 PolarHBondContact O-N 2.79Å
220	T	90.9	Very high	89.7	Confident	38 Å²	38	29.6 Å²	29.6	23%	0.233	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-75.5	151	176.1	74.3	0	0	0	0	111.6	K222 D223 A224 Q254	T220-K222 PolarHBondContact O-N 3.01Å; T220-D223 PolarHBondContact O-N 3.03Å; T220-D223 VanDerWaalsContact O-N 3.11Å; T220-D223 WeakPolarHBondContact OG1-CB 3.41Å; T220-D223 VanDerWaalsContact OG1-CG 3.31Å; T220-D223 PolarHBondContact OG1-N 3.34Å; T220-D223 PolarHBondContact OG1-OD2 3.44Å; T220-A224 PolarHBondContact O-N 2.83Å; T220-Q254 CarbonylContact C-O 3.59Å; T220-Q254 WeakPolarHBondContact CA-O 3.39Å
221	I	91.6	Very high	89.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-50.1	-40.6	169.8	-74.4	164.7	0	0	0	111.2	L225 W240 L242 L250 Q254 V256 L259	I221-L225 HydrophobicContact CG2-CD1 4.27Å; I221-L225 VanDerWaalsContact O-CD1 3.23Å; I221-L225 WeakPolarHBondContact O-CD1 3.33Å; I221-L225 PolarHBondContact O-N 3.36Å; I221-L225 VanDerWaalsContact O-N 3.16Å; I221-W240 HydrophobicContact CG2-CH2 3.68Å; I221-W240 HydrophobicContact CG2-CZ3 3.82Å; I221-L242 HydrophobicContact CD1-CD1 4.23Å; I221-L242 HydrophobicContact CG1-CD1 4.43Å; I221-L242 HydrophobicContact CG2-CD1 3.58Å; I221-L242 HydrophobicContact CG2-CG 3.94Å; I221-L250 HydrophobicContact CD1-CB 4.27Å; I221-L250 HydrophobicContact CD1-CD2 4.26Å; I221-Q254 HydrophobicContact CD1-CB 4Å; I221-Q254 WeakPolarHBondContact CG1-O 3.4Å; I221-Q254 PolarHBondContact N-O 3.17Å; I221-V256 HydrophobicContact CG1-CG1 4.21Å; I221-L259 HydrophobicContact CD1-CD1 3.77Å; I221-L259 HydrophobicContact CG1-CD1 3.46Å; I221-L259 VanDerWaalsContact CG1-CD1 3.46Å
222	K	90.6	Very high	89.1	Confident	72 Å²	72	29.9 Å²	29.9	31%	0.313	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-51.8	176.8	-173.6	173.6	-178.5	177.2	0	111.7	T220 A224 L225 C226 L235 E236 W240 S252	T220-K222 PolarHBondContact O-N 3.01Å; K222-A224 VanDerWaalsContact C-N 3.3Å; K222-A224 PolarHBondContact O-N 3.1Å; K222-L225 PolarHBondContact O-N 2.86Å; K222-C226 WeakPolarHBondContact O-CB 3.47Å; K222-C226 PolarHBondContact O-N 2.94Å; K222-C226 PolarHBondContact O-SG 3.45Å; K222-L235 WeakPolarHBondContact CE-O 3.37Å; K222-E236 WeakPolarHBondContact CE-O 3.27Å; K222-E236 PolarHBondContact NZ-O 3.34Å; K222-W240 HydrophobicContact CB-CZ2 4.3Å; K222-W240 HydrophobicContact CG-CZ2 4.3Å; K222-S252 WeakPolarHBondContact CB-O 3.45Å; K222-S252 PolarHBondContact N-O 3.03Å
223	D	89.4	Confident	88.5	Confident	55 Å²	55	33.2 Å²	33.2	29%	0.294	19%	0.189	S	C	.	.	H	α-helix	trans	-57.6	-43.9	178.7	-75.8	-65.1	0	0	0	111.8	T220 C226 K227	T220-D223 PolarHBondContact O-N 3.03Å; T220-D223 VanDerWaalsContact O-N 3.11Å; T220-D223 WeakPolarHBondContact OG1-CB 3.41Å; T220-D223 VanDerWaalsContact OG1-CG 3.31Å; T220-D223 PolarHBondContact OG1-N 3.34Å; T220-D223 PolarHBondContact OG1-OD2 3.44Å; D223-C226 PolarHBondContact O-N 2.85Å; D223-K227 HydrophobicContact CB-CD 4.37Å; D223-K227 VanDerWaalsContact O-CB 3.3Å; D223-K227 WeakPolarHBondContact O-CB 3.38Å; D223-K227 VanDerWaalsContact O-CG 3.27Å; D223-K227 WeakPolarHBondContact O-CG 3.06Å; D223-K227 PolarHBondContact O-N 2.85Å; D223-K227 WeakPolarHBondContact OD1-CE 3.42Å; D223-K227 IonicContact OD1-NZ 2.69Å; D223-K227 PolarHBondContact OD1-NZ 3.08Å
224	A	90.6	Very high	87.9	Confident	3 Å²	3	35 Å²	35	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-54.1	176.8	0	0	0	0	0	112.1	F184 V213 A215 T220 K222 D228 V256	F184-A224 HydrophobicContact CE1-CB 4.19Å; F184-A224 HydrophobicContact CZ-CB 3.89Å; V213-A224 HydrophobicContact CG1-CB 4.38Å; A215-A224 HydrophobicContact CB-CB 3.55Å; T220-A224 PolarHBondContact O-N 2.83Å; K222-A224 VanDerWaalsContact C-N 3.3Å; K222-A224 PolarHBondContact O-N 3.1Å; A224-D228 VanDerWaalsContact O-CB 3.3Å; A224-D228 WeakPolarHBondContact O-CB 3.41Å; A224-D228 PolarHBondContact O-N 2.92Å; A224-V256 HydrophobicContact CB-CG1 3.97Å
225	L	90.8	Very high	87.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-34.7	-178	-87	77.3	0	0	0	113	F184 I186 I221 K222 F231 L235 W240 V266	F184-L225 HydrophobicContact CE2-CD1 3.73Å; F184-L225 HydrophobicContact CZ-CD1 3.79Å; I186-L225 HydrophobicContact CD1-CD1 4.47Å; I186-L225 HydrophobicContact CD1-CD2 4.49Å; I186-L225 HydrophobicContact CG1-CD1 4.31Å; I186-L225 HydrophobicContact CG1-CD2 4.18Å; I186-L225 HydrophobicContact CG1-CG 4.44Å; I221-L225 HydrophobicContact CG2-CD1 4.27Å; I221-L225 VanDerWaalsContact O-CD1 3.23Å; I221-L225 WeakPolarHBondContact O-CD1 3.33Å; I221-L225 PolarHBondContact O-N 3.36Å; I221-L225 VanDerWaalsContact O-N 3.16Å; K222-L225 PolarHBondContact O-N 2.86Å; L225-F231 HydrophobicContact CB-CD2 4.19Å; L225-F231 HydrophobicContact CB-CE2 4.37Å; L225-F231 HydrophobicContact CB-CG 4.48Å; L225-F231 HydrophobicContact CD2-CD1 4.24Å; L225-F231 HydrophobicContact CD2-CE1 4Å; L225-F231 HydrophobicContact CD2-CE2 4.46Å; L225-F231 HydrophobicContact CD2-CZ 4.11Å; L225-F231 HydrophobicContact CG-CD2 4.21Å; L225-F231 HydrophobicContact CG-CE1 4.36Å; L225-F231 HydrophobicContact CG-CE2 3.93Å; L225-F231 HydrophobicContact CG-CZ 4Å; L225-F231 WeakPolarHBondContact O-CD2 3.34Å; L225-L235 HydrophobicContact CB-CD1 4.05Å; L225-L235 HydrophobicContact CD2-CD1 3.72Å; L225-L235 HydrophobicContact CG-CD1 4.48Å; L225-W240 HydrophobicContact CB-CH2 4.28Å; L225-W240 HydrophobicContact CD1-CH2 4.35Å; L225-W240 HydrophobicContact CD2-CH2 3.78Å; L225-W240 HydrophobicContact CD2-CZ3 4.09Å; L225-W240 HydrophobicContact CG-CH2 4.36Å; L225-V266 HydrophobicContact CD2-CG2 4.33Å
226	C	87.3	Confident	86.9	Confident	27 Å²	27	38.4 Å²	38.4	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-43.4	179.4	-61.3	0	0	0	0	111	K222 D223 G229 E236	K222-C226 WeakPolarHBondContact O-CB 3.47Å; K222-C226 PolarHBondContact O-N 2.94Å; K222-C226 PolarHBondContact O-SG 3.45Å; D223-C226 PolarHBondContact O-N 2.85Å; C226-G229 PolarHBondContact O-N 2.94Å; C226-E236 HydrophobicContact CB-CG 3.85Å; C226-E236 WeakPolarHBondContact SG-CG 3.31Å
227	K	87.4	Confident	86	Confident	75 Å²	75	41.9 Å²	41.9	33%	0.326	23%	0.233	S	C	.	.	H	α-helix	trans	-87.9	-16.3	-171.1	-57.9	169.1	-168	170.7	0	113.5	G172 R173 D223 G229	G172-K227 CarbonylContact C-O 3.57Å; G172-K227 VanDerWaalsContact C-O 3.3Å; G172-K227 VanDerWaalsContact CA-O 3.31Å; G172-K227 WeakPolarHBondContact CA-O 3.4Å; R173-K227 HydrophobicContact CB-CB 4.17Å; R173-K227 HydrophobicContact CG-CB 4.2Å; R173-K227 VanDerWaalsContact NH1-CD 3.32Å; D223-K227 HydrophobicContact CB-CD 4.37Å; D223-K227 VanDerWaalsContact O-CB 3.3Å; D223-K227 WeakPolarHBondContact O-CB 3.38Å; D223-K227 VanDerWaalsContact O-CG 3.27Å; D223-K227 WeakPolarHBondContact O-CG 3.06Å; D223-K227 PolarHBondContact O-N 2.85Å; D223-K227 WeakPolarHBondContact OD1-CE 3.42Å; D223-K227 IonicContact OD1-NZ 2.69Å; D223-K227 PolarHBondContact OD1-NZ 3.08Å; K227-G229 PolarHBondContact O-N 3.24Å
228	D	88.6	Confident	85.2	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.032	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27	163.5	177.4	-90.6	0	0	0	112.8	N139 V213 A224 R230 F231	N139-D228 VanDerWaalsContact ND2-CG 3.31Å; N139-D228 PolarHBondContact ND2-O 3.46Å; N139-D228 PolarHBondContact ND2-OD2 2.94Å; V213-D228 HydrophobicContact CG1-CB 4.39Å; A224-D228 VanDerWaalsContact O-CB 3.3Å; A224-D228 WeakPolarHBondContact O-CB 3.41Å; A224-D228 PolarHBondContact O-N 2.92Å; D228-R230 VanDerWaalsContact CG-NH2 3.35Å; D228-R230 PolarHBondContact O-N 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.39Å; D228-R230 IonicContact OD1-CZ 2.66Å; D228-R230 PolarHBondContact OD1-N 2.8Å; D228-R230 IonicContact OD1-NE 3.14Å; D228-R230 PolarHBondContact OD1-NE 3.19Å; D228-R230 IonicContact OD1-NH2 3.29Å; D228-R230 PolarHBondContact OD1-NH2 3.34Å; D228-R230 IonicContact OD2-CZ 2.64Å; D228-R230 IonicContact OD2-NE 3.18Å; D228-R230 PolarHBondContact OD2-NE 3.42Å; D228-R230 IonicContact OD2-NH2 3.71Å; D228-R230 PolarHBondContact OD2-NH2 2.82Å; D228-F231 HydrophobicContact CB-CD2 4.14Å; D228-F231 HydrophobicContact CB-CE2 4.18Å; D228-F231 WeakPolarHBondContact OD1-CE2 3.25Å
229	G	83.6	Confident	84.8	Confident	24 Å²	24	39.9 Å²	39.9	25%	0.247	21%	0.212	C	C	.	.	S	Bend	trans	76	-14.5	169.3	0	0	0	0	0	116.2	K200 C226 K227	K200-G229 VanDerWaalsContact CD-O 3.29Å; K200-G229 WeakPolarHBondContact CD-O 3.43Å; K200-G229 VanDerWaalsContact CE-O 3.25Å; K200-G229 WeakPolarHBondContact CE-O 3.23Å; K200-G229 PolarHBondContact NZ-O 2.87Å; C226-G229 PolarHBondContact O-N 2.94Å; K227-G229 PolarHBondContact O-N 3.24Å
230	R	89.3	Confident	84.7	Confident	33 Å²	33	38.9 Å²	38.9	13%	0.125	21%	0.207	C	C	.	.	S	Bend	trans	-83.2	-19.1	176.9	-59	173.1	-66.2	165.6	5.1	113.2	Y137 I138 K200 C212 D228	Y137-R230 VanDerWaalsContact C-NH1 3.32Å; Y137-R230 PolarHBondContact O-NH1 3.13Å; I138-R230 PolarHBondContact O-NH1 2.97Å; I138-R230 VanDerWaalsContact O-NH1 3.11Å; K200-R230 PolarHBondContact N-O 2.81Å; C212-R230 PolarHBondContact O-NH2 2.97Å; D228-R230 VanDerWaalsContact CG-NH2 3.35Å; D228-R230 PolarHBondContact O-N 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.39Å; D228-R230 IonicContact OD1-CZ 2.66Å; D228-R230 PolarHBondContact OD1-N 2.8Å; D228-R230 IonicContact OD1-NE 3.14Å; D228-R230 PolarHBondContact OD1-NE 3.19Å; D228-R230 IonicContact OD1-NH2 3.29Å; D228-R230 PolarHBondContact OD1-NH2 3.34Å; D228-R230 IonicContact OD2-CZ 2.64Å; D228-R230 IonicContact OD2-NE 3.18Å; D228-R230 PolarHBondContact OD2-NE 3.42Å; D228-R230 IonicContact OD2-NH2 3.71Å; D228-R230 PolarHBondContact OD2-NH2 2.82Å
231	F	88.9	Confident	84.4	Confident	7 Å²	7	38.4 Å²	38.4	3%	0.031	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-80.6	161.6	176.1	-62.4	-87.6	0	0	0	112.4	I186 I198 K200 L211 V213 L225 D228 L235	I186-F231 HydrophobicContact CB-CE1 4.07Å; I186-F231 HydrophobicContact CB-CZ 3.92Å; I186-F231 HydrophobicContact CG1-CE1 4.49Å; I186-F231 HydrophobicContact CG1-CZ 4.07Å; I186-F231 HydrophobicContact CG2-CE1 3.72Å; I186-F231 HydrophobicContact CG2-CZ 4.1Å; I198-F231 HydrophobicContact CD1-CD1 4.28Å; I198-F231 HydrophobicContact CD1-CE1 4.13Å; I198-F231 HydrophobicContact CG1-CD1 4.24Å; I198-F231 HydrophobicContact CG1-CE1 4.47Å; I198-F231 CarbonylContact O-C 3.19Å; I198-F231 WeakPolarHBondContact O-CA 3.48Å; K200-F231 VanDerWaalsContact CE-O 3.23Å; K200-F231 WeakPolarHBondContact CE-O 3.17Å; K200-F231 WeakPolarHBondContact CG-O 3.45Å; L211-F231 HydrophobicContact CB-CZ 4.18Å; L211-F231 HydrophobicContact CD1-CD1 4.19Å; L211-F231 HydrophobicContact CD1-CE1 3.5Å; L211-F231 VanDerWaalsContact CD1-CE1 3.5Å; L211-F231 HydrophobicContact CD1-CE2 4.16Å; L211-F231 HydrophobicContact CD1-CZ 3.49Å; L211-F231 VanDerWaalsContact CD1-CZ 3.49Å; L211-F231 HydrophobicContact CG-CZ 4.47Å; V213-F231 HydrophobicContact CG2-CE2 3.66Å; V213-F231 HydrophobicContact CG2-CZ 3.65Å; L225-F231 HydrophobicContact CB-CD2 4.19Å; L225-F231 HydrophobicContact CB-CE2 4.37Å; L225-F231 HydrophobicContact CB-CG 4.48Å; L225-F231 HydrophobicContact CD2-CD1 4.24Å; L225-F231 HydrophobicContact CD2-CE1 4Å; L225-F231 HydrophobicContact CD2-CE2 4.46Å; L225-F231 HydrophobicContact CD2-CZ 4.11Å; L225-F231 HydrophobicContact CG-CD2 4.21Å; L225-F231 HydrophobicContact CG-CE1 4.36Å; L225-F231 HydrophobicContact CG-CE2 3.93Å; L225-F231 HydrophobicContact CG-CZ 4Å; L225-F231 WeakPolarHBondContact O-CD2 3.34Å; D228-F231 HydrophobicContact CB-CD2 4.14Å; D228-F231 HydrophobicContact CB-CE2 4.18Å; D228-F231 WeakPolarHBondContact OD1-CE2 3.25Å; F231-L235 HydrophobicContact CB-CD1 3.69Å; F231-L235 HydrophobicContact CD1-CD1 3.88Å; F231-L235 HydrophobicContact CG-CD1 3.94Å
232	L	84.8	Confident	84.3	Confident	52 Å²	52	38.4 Å²	38.4	27%	0.272	20%	0.202	S	C	.	.			trans	-81.2	139.8	174.6	-70.2	168.1	0	0	0	111	R197 I198 K200 F234 L235	R197-L232 HydrophobicContact CG-CD1 4.13Å; R197-L232 WeakPolarHBondContact O-CD1 3.44Å; I198-L232 PolarHBondContact O-N 2.72Å; K200-L232 HydrophobicContact CG-CD2 3.97Å; L232-F234 HydrophobicContact CB-CD1 3.67Å; L232-F234 HydrophobicContact CB-CE1 3.82Å; L232-F234 HydrophobicContact CD1-CD1 4.44Å; L232-F234 HydrophobicContact CD1-CE1 4.17Å; L232-F234 PolarHBondContact O-N 2.82Å; L232-L235 PolarHBondContact O-N 2.91Å; L232-L235 VanDerWaalsContact O-N 3.17Å
233	S	81.2	Confident	84.1	Confident	70 Å²	70	35.7 Å²	35.7	49%	0.49	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-64.1	-0.2	-175.7	51.3	0	0	0	0	116	L235 E236 N237	S233-L235 PolarHBondContact O-N 3.03Å; S233-E236 WeakPolarHBondContact O-CB 3.06Å; S233-E236 PolarHBondContact O-N 3.18Å; S233-N237 PolarHBondContact O-ND2 3.09Å; S233-N237 VanDerWaalsContact O-ND2 3.17Å
234	F	80.3	Confident	83.9	Confident	38 Å²	38	34.5 Å²	34.5	17%	0.167	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67.2	-23.3	168.7	78.7	-100.1	0	0	0	111.7	I198 L232 E236 N237 D238 V268	I198-F234 HydrophobicContact CB-CE1 4.45Å; I198-F234 HydrophobicContact CB-CZ 4.11Å; I198-F234 HydrophobicContact CG2-CZ 3.92Å; L232-F234 HydrophobicContact CB-CD1 3.67Å; L232-F234 HydrophobicContact CB-CE1 3.82Å; L232-F234 HydrophobicContact CD1-CD1 4.44Å; L232-F234 HydrophobicContact CD1-CE1 4.17Å; L232-F234 PolarHBondContact O-N 2.82Å; F234-E236 PolarHBondContact O-N 3.07Å; F234-N237 PolarHBondContact O-N 2.91Å; F234-D238 HydrophobicContact CD2-CB 4.32Å; F234-D238 PolarHBondContact O-N 3.3Å; F234-V268 HydrophobicContact CE2-CG2 3.65Å; F234-V268 HydrophobicContact CZ-CG2 4.33Å
235	L	81.3	Confident	82.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-65.1	-19.2	174.2	-61.1	-177.1	0	0	0	113.2	K222 L225 F231 L232 S233 N237 W240 V266	K222-L235 WeakPolarHBondContact CE-O 3.37Å; L225-L235 HydrophobicContact CB-CD1 4.05Å; L225-L235 HydrophobicContact CD2-CD1 3.72Å; L225-L235 HydrophobicContact CG-CD1 4.48Å; F231-L235 HydrophobicContact CB-CD1 3.69Å; F231-L235 HydrophobicContact CD1-CD1 3.88Å; F231-L235 HydrophobicContact CG-CD1 3.94Å; L232-L235 PolarHBondContact O-N 2.91Å; L232-L235 VanDerWaalsContact O-N 3.17Å; S233-L235 PolarHBondContact O-N 3.03Å; L235-N237 VanDerWaalsContact C-N 3.34Å; L235-W240 HydrophobicContact CB-CZ2 4.03Å; L235-W240 HydrophobicContact CD2-CD2 3.84Å; L235-W240 HydrophobicContact CD2-CG 3.9Å; L235-W240 HydrophobicContact CD2-CZ2 4.29Å; L235-W240 PolarHBondContact O-NE1 2.88Å; L235-V266 HydrophobicContact CD2-CG1 4.01Å
236	E	78.8	Confident	81.4	Confident	91 Å²	91	46 Å²	46	43%	0.425	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-75.3	-25	172.6	-63.6	158.4	-158.3	0	0	112	K222 C226 S233 F234	K222-E236 WeakPolarHBondContact CE-O 3.27Å; K222-E236 PolarHBondContact NZ-O 3.34Å; C226-E236 HydrophobicContact CB-CG 3.85Å; C226-E236 WeakPolarHBondContact SG-CG 3.31Å; S233-E236 WeakPolarHBondContact O-CB 3.06Å; S233-E236 PolarHBondContact O-N 3.18Å; F234-E236 PolarHBondContact O-N 3.07Å
237	N	70.1	Confident	80.3	Confident	104 Å²	104	51.7 Å²	51.7	56%	0.556	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	-30.6	-159.4	-67.9	-81.4	0	0	0	115.6	S233 F234 L235	S233-N237 PolarHBondContact O-ND2 3.09Å; S233-N237 VanDerWaalsContact O-ND2 3.17Å; F234-N237 PolarHBondContact O-N 2.91Å; L235-N237 VanDerWaalsContact C-N 3.34Å
238	D	71.1	Confident	79.8	Confident	46 Å²	46	51.1 Å²	51.1	25%	0.246	28%	0.279	C	S	.	.	S	Bend	trans	-87.6	157.2	176.6	-78.2	-14.3	0	0	0	110.7	R196 F234 V268	R196-D238 IonicContact NH1-OD2 3.62Å; F234-D238 HydrophobicContact CD2-CB 4.32Å; F234-D238 PolarHBondContact O-N 3.3Å; D238-V268 HydrophobicContact CB-CG1 4.23Å
239	D	76	Confident	79.5	Confident	65 Å²	65	55.5 Å²	55.5	35%	0.348	30%	0.301	S	S	.	.			trans	-76.7	123.8	165.9	-51.3	-86.5	0	0	0	110.3	E269 R271	D239-E269 PolarHBondContact O-N 3.48Å; D239-E269 VanDerWaalsContact O-N 3.1Å; D239-R271 VanDerWaalsContact CG-NE 3.31Å; D239-R271 IonicContact OD1-CZ 3.08Å; D239-R271 IonicContact OD1-NE 2.72Å; D239-R271 PolarHBondContact OD1-NE 2.64Å; D239-R271 IonicContact OD1-NH2 3.47Å; D239-R271 PolarHBondContact OD1-NH2 3.3Å; D239-R271 WeakPolarHBondContact OD2-CD 3.4Å; D239-R271 WeakPolarHBondContact OD2-CG 3.43Å; D239-R271 IonicContact OD2-CZ 2.69Å; D239-R271 IonicContact OD2-NE 3.54Å; D239-R271 PolarHBondContact OD2-NE 2.92Å; D239-R271 IonicContact OD2-NH2 3.52Å
240	W	85.8	Confident	79.5	Confident	9 Å²	9	55.3 Å²	55.3	3%	0.034	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.9	175.5	60	-86.6	0	0	0	110.2	I221 K222 L225 L235 L242 S252 V266 E267 V268	I221-W240 HydrophobicContact CG2-CH2 3.68Å; I221-W240 HydrophobicContact CG2-CZ3 3.82Å; K222-W240 HydrophobicContact CB-CZ2 4.3Å; K222-W240 HydrophobicContact CG-CZ2 4.3Å; L225-W240 HydrophobicContact CB-CH2 4.28Å; L225-W240 HydrophobicContact CD1-CH2 4.35Å; L225-W240 HydrophobicContact CD2-CH2 3.78Å; L225-W240 HydrophobicContact CD2-CZ3 4.09Å; L225-W240 HydrophobicContact CG-CH2 4.36Å; L235-W240 HydrophobicContact CB-CZ2 4.03Å; L235-W240 HydrophobicContact CD2-CD2 3.84Å; L235-W240 HydrophobicContact CD2-CG 3.9Å; L235-W240 HydrophobicContact CD2-CZ2 4.29Å; L235-W240 PolarHBondContact O-NE1 2.88Å; W240-L242 HydrophobicContact CE3-CD2 4.29Å; W240-L242 HydrophobicContact CZ3-CD2 3.74Å; W240-L242 HydrophobicContact CZ3-CG 3.97Å; W240-S252 WeakPolarHBondContact O-CB 3.3Å; W240-S252 PolarHBondContact O-OG 3.37Å; W240-V266 HydrophobicContact CB-CG1 4.08Å; W240-V266 HydrophobicContact CD2-CG1 4.23Å; W240-V266 HydrophobicContact CE3-CG1 3.93Å; W240-V266 HydrophobicContact CG-CG1 4.31Å; W240-E267 VanDerWaalsContact CA-O 3.23Å; W240-E267 WeakPolarHBondContact CA-O 3.29Å; W240-E267 VanDerWaalsContact CB-O 3.25Å; W240-E267 WeakPolarHBondContact CB-O 3.31Å; W240-V268 HydrophobicContact CB-CG2 4.29Å
241	K	86.1	Confident	79.3	Confident	28 Å²	28	59.5 Å²	59.5	12%	0.122	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.6	-179.5	69.1	-155.9	-169.3	-174.2	0	110	I243 I249 L250 E267 E269	K241-I243 HydrophobicContact CG-CG1 4.31Å; K241-I249 HydrophobicContact CB-CG2 4.04Å; K241-I249 HydrophobicContact CD-CG2 3.64Å; K241-I249 HydrophobicContact CG-CG2 4Å; K241-L250 WeakPolarHBondContact CA-O 3.42Å; K241-L250 WeakPolarHBondContact CB-O 3.33Å; K241-E267 WeakPolarHBondContact CE-OE2 3.29Å; K241-E267 HydrophobicContact CG-CB 4.23Å; K241-E267 PolarHBondContact N-O 3.25Å; K241-E267 IonicContact NZ-OE2 2.64Å; K241-E267 PolarHBondContact NZ-OE2 2.7Å; K241-E267 VanDerWaalsContact NZ-OE2 3.08Å; K241-E267 PolarHBondContact O-N 2.99Å; K241-E269 HydrophobicContact CD-CG 4.15Å; K241-E269 WeakPolarHBondContact CD-OE1 3.41Å; K241-E269 WeakPolarHBondContact CE-OE1 3.3Å; K241-E269 IonicContact NZ-OE1 2.63Å; K241-E269 PolarHBondContact NZ-OE1 3.11Å
242	L	88.6	Confident	79.1	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.8	168	-69.1	-170.6	0	0	0	109.1	F184 I186 I221 W240 I249 L250 F264 Q265 V266	F184-L242 HydrophobicContact CE2-CD1 4.5Å; I186-L242 HydrophobicContact CD1-CD1 3.97Å; I186-L242 HydrophobicContact CD1-CD2 3.75Å; I221-L242 HydrophobicContact CD1-CD1 4.23Å; I221-L242 HydrophobicContact CG1-CD1 4.43Å; I221-L242 HydrophobicContact CG2-CD1 3.58Å; I221-L242 HydrophobicContact CG2-CG 3.94Å; W240-L242 HydrophobicContact CE3-CD2 4.29Å; W240-L242 HydrophobicContact CZ3-CD2 3.74Å; W240-L242 HydrophobicContact CZ3-CG 3.97Å; L242-I249 WeakPolarHBondContact O-CA 3.19Å; L242-L250 HydrophobicContact CB-CB 4.19Å; L242-L250 PolarHBondContact N-O 3.45Å; L242-L250 PolarHBondContact O-N 2.95Å; L242-F264 HydrophobicContact CB-CB 3.95Å; L242-F264 HydrophobicContact CB-CD1 3.85Å; L242-F264 HydrophobicContact CB-CG 4.05Å; L242-F264 HydrophobicContact CD1-CB 3.95Å; L242-F264 HydrophobicContact CD1-CD1 4.12Å; L242-F264 HydrophobicContact CD1-CD2 3.97Å; L242-F264 HydrophobicContact CD1-CG 3.74Å; L242-F264 HydrophobicContact CD2-CB 3.96Å; L242-F264 HydrophobicContact CG-CB 4.16Å; L242-F264 HydrophobicContact CG-CG 4.36Å; L242-Q265 WeakPolarHBondContact CA-O 3.5Å; L242-V266 HydrophobicContact CD2-CG2 3.78Å
243	I	85.8	Confident	79.1	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.077	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.6	172.4	-56.6	-165.4	0	0	0	108.4	I191 K241 S248 I249 F264 Q265 E267	I191-I243 HydrophobicContact CD1-CB 4.11Å; I191-I243 HydrophobicContact CD1-CD1 3.81Å; I191-I243 HydrophobicContact CD1-CG1 4.21Å; K241-I243 HydrophobicContact CG-CG1 4.31Å; I243-S248 CarbonylContact C-O 3.59Å; I243-S248 WeakPolarHBondContact CA-O 3.38Å; I243-I249 HydrophobicContact CG1-CG1 4.47Å; I243-F264 CarbonylContact O-C 3.59Å; I243-F264 WeakPolarHBondContact O-CA 3.31Å; I243-Q265 PolarHBondContact N-O 2.93Å; I243-Q265 PolarHBondContact O-N 3.38Å; I243-E267 HydrophobicContact CD1-CB 3.8Å; I243-E267 HydrophobicContact CG1-CB 4.21Å
244	E	85.2	Confident	79.4	Confident	31 Å²	31	62.1 Å²	62.1	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.1	171.6	177	163	-133.9	0	0	109.5	N246 D247 S248 K262 F264	E244-N246 PolarHBondContact O-N 3.23Å; E244-D247 PolarHBondContact O-N 2.96Å; E244-S248 PolarHBondContact N-O 3.48Å; E244-S248 PolarHBondContact O-N 2.8Å; E244-S248 VanDerWaalsContact O-N 3.07Å; E244-K262 WeakPolarHBondContact OE1-CB 3.39Å; E244-K262 WeakPolarHBondContact OE1-CD 3.25Å; E244-K262 WeakPolarHBondContact OE1-CG 3.36Å; E244-F264 HydrophobicContact CB-CD1 3.7Å; E244-F264 HydrophobicContact CB-CE1 3.7Å; E244-F264 HydrophobicContact CG-CE1 4.33Å
245	N	68.9	Low	79.9	Confident	128 Å²	128	63.9 Å²	63.9	68%	0.684	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	30.2	175	-59.7	-33.8	0	0	0	115.8	D247	N245-D247 PolarHBondContact O-N 3.37Å
246	N	60.4	Low	80.4	Confident	115 Å²	115	63.9 Å²	63.9	62%	0.615	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-14.4	-175.5	-60.9	-19.3	0	0	0	117.3	E244	E244-N246 PolarHBondContact O-N 3.23Å
247	D	64.5	Low	81	Confident	147 Å²	147	62.5 Å²	62.5	79%	0.786	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-27.8	-171	-63.2	-37.1	0	0	0	114.3	E244 N245	E244-D247 PolarHBondContact O-N 2.96Å; N245-D247 PolarHBondContact O-N 3.37Å
248	S	76.5	Confident	81.9	Confident	64 Å²	64	65.3 Å²	65.3	45%	0.448	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.5	-177.8	-70.6	0	0	0	0	111.6	I243 E244	I243-S248 CarbonylContact C-O 3.59Å; I243-S248 WeakPolarHBondContact CA-O 3.38Å; E244-S248 PolarHBondContact N-O 3.48Å; E244-S248 PolarHBondContact O-N 2.8Å; E244-S248 VanDerWaalsContact O-N 3.07Å
249	I	82.8	Confident	82.8	Confident	97 Å²	97	63.3 Å²	63.3	50%	0.497	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124	-179.7	-65.6	170.5	0	0	0	110	K241 L242 I243	K241-I249 HydrophobicContact CB-CG2 4.04Å; K241-I249 HydrophobicContact CD-CG2 3.64Å; K241-I249 HydrophobicContact CG-CG2 4Å; L242-I249 WeakPolarHBondContact O-CA 3.19Å; I243-I249 HydrophobicContact CG1-CG1 4.47Å
250	L	83.4	Confident	83.6	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.11	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.3	172.4	-75	75	0	0	0	109.7	I221 K241 L242 L259 F264	I221-L250 HydrophobicContact CD1-CB 4.27Å; I221-L250 HydrophobicContact CD1-CD2 4.26Å; K241-L250 WeakPolarHBondContact CA-O 3.42Å; K241-L250 WeakPolarHBondContact CB-O 3.33Å; L242-L250 HydrophobicContact CB-CB 4.19Å; L242-L250 PolarHBondContact N-O 3.45Å; L242-L250 PolarHBondContact O-N 2.95Å; L250-L259 HydrophobicContact CD2-CD2 3.44Å; L250-L259 VanDerWaalsContact CD2-CD2 3.44Å; L250-F264 HydrophobicContact CD1-CE1 4.05Å; L250-F264 HydrophobicContact CD2-CE1 3.83Å; L250-F264 HydrophobicContact CD2-CZ 4.24Å
251	E	84.6	Confident	83.7	Confident	120 Å²	120	65.6 Å²	65.6	56%	0.561	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.9	175.9	-62.9	-167.7	160	0	0	111	T253 Q254	E251-T253 PolarHBondContact O-N 3.25Å; E251-Q254 HydrophobicContact CB-CG 4.32Å; E251-Q254 WeakPolarHBondContact O-CB 3.45Å; E251-Q254 PolarHBondContact O-N 2.96Å
252	S	84.6	Confident	84	Confident	18 Å²	18	67.5 Å²	67.5	13%	0.126	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.4	-177.7	50.4	0	0	0	0	114.3	K222 W240	K222-S252 WeakPolarHBondContact CB-O 3.45Å; K222-S252 PolarHBondContact N-O 3.03Å; W240-S252 WeakPolarHBondContact O-CB 3.3Å; W240-S252 PolarHBondContact O-OG 3.37Å
253	T	84.7	Confident	84.1	Confident	91 Å²	91	69.9 Å²	69.9	56%	0.558	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17	173	44.7	0	0	0	0	114.2	E251	E251-T253 PolarHBondContact O-N 3.25Å
254	Q	87.9	Confident	84.4	Confident	76 Å²	76	69.2 Å²	69.2	36%	0.355	37%	0.371	S	S	.	.	S	Bend	trans	-68.9	150.5	-177.4	-69.1	176.2	-13	0	0	111.9	T220 I221 E251	T220-Q254 CarbonylContact C-O 3.59Å; T220-Q254 WeakPolarHBondContact CA-O 3.39Å; I221-Q254 HydrophobicContact CD1-CB 4Å; I221-Q254 WeakPolarHBondContact CG1-O 3.4Å; I221-Q254 PolarHBondContact N-O 3.17Å; E251-Q254 HydrophobicContact CB-CG 4.32Å; E251-Q254 WeakPolarHBondContact O-CB 3.45Å; E251-Q254 PolarHBondContact O-N 2.96Å
255	P	91.1	Very high	84.6	Confident	75 Å²	75	70.1 Å²	70.1	49%	0.487	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-68.5	153.6	176.3	29.7	-35.4	0	0	0	111.9	E219 D257	E219-P255 CarbonylContact O-C 3.5Å; E219-P255 VanDerWaalsContact O-CA 3.29Å; E219-P255 WeakPolarHBondContact O-CA 3.35Å; P255-D257 VanDerWaalsContact C-N 3.29Å; P255-D257 PolarHBondContact O-N 2.94Å
256	V	91.4	Very high	85.6	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-79.1	-8.1	179.3	-62.8	0	0	0	0	114.4	V182 F184 A215 F216 E219 I221 A224 E258 L259	V182-V256 HydrophobicContact CB-CG2 4.41Å; V182-V256 WeakPolarHBondContact CG1-O 3.49Å; F184-V256 HydrophobicContact CE1-CB 4.38Å; F184-V256 HydrophobicContact CE1-CG1 3.94Å; F184-V256 HydrophobicContact CZ-CG1 4.2Å; A215-V256 HydrophobicContact CB-CB 4.38Å; A215-V256 HydrophobicContact CB-CG1 4.08Å; A215-V256 HydrophobicContact CB-CG2 3.88Å; F216-V256 WeakPolarHBondContact O-CG2 3.47Å; E219-V256 HydrophobicContact CB-CG2 4.34Å; E219-V256 WeakPolarHBondContact O-CG1 3.44Å; E219-V256 WeakPolarHBondContact O-CG2 3.44Å; E219-V256 PolarHBondContact O-N 2.79Å; I221-V256 HydrophobicContact CG1-CG1 4.21Å; A224-V256 HydrophobicContact CB-CG1 3.97Å; V256-E258 PolarHBondContact O-N 2.86Å; V256-L259 HydrophobicContact CB-CD1 4.09Å; V256-L259 HydrophobicContact CG1-CD1 4.12Å; V256-L259 VanDerWaalsContact O-CB 3.31Å; V256-L259 WeakPolarHBondContact O-CB 3.35Å; V256-L259 VanDerWaalsContact O-CG 3.31Å; V256-L259 WeakPolarHBondContact O-CG 3.39Å; V256-L259 PolarHBondContact O-N 2.87Å
257	D	91.1	Very high	86.8	Confident	63 Å²	63	61 Å²	61	34%	0.337	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.7	-165.6	-66	36.5	0	0	0	114.4	K217 G218 P255	K217-D257 WeakPolarHBondContact CA-OD1 3.31Å; K217-D257 HydrophobicContact CG-CB 4.48Å; G218-D257 PolarHBondContact N-OD1 3.07Å; G218-D257 PolarHBondContact N-OD2 2.78Å; P255-D257 VanDerWaalsContact C-N 3.29Å; P255-D257 PolarHBondContact O-N 2.94Å
258	E	89.3	Confident	87.3	Confident	162 Å²	162	55.1 Å²	55.1	76%	0.757	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	14	-179.3	-60.4	-171.9	-174.3	0	0	114	V256 K262	V256-E258 PolarHBondContact O-N 2.86Å; E258-K262 WeakPolarHBondContact O-CD 3.38Å; E258-K262 WeakPolarHBondContact O-CE 3.46Å; E258-K262 PolarHBondContact O-NZ 2.88Å
259	L	91.2	Very high	86.8	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.295	C	S	.	.			trans	-96.9	-0.1	-172.9	-50.6	-175.1	0	0	0	114.7	V182 F184 I221 L250 V256 G261 K262 F264	V182-L259 HydrophobicContact CG1-CB 4.37Å; F184-L259 HydrophobicContact CB-CB 4Å; F184-L259 VanDerWaalsContact CB-O 3.27Å; F184-L259 WeakPolarHBondContact CB-O 3.37Å; F184-L259 HydrophobicContact CD1-CB 4.3Å; F184-L259 HydrophobicContact CD2-CD1 4.44Å; F184-L259 HydrophobicContact CE2-CD1 4.44Å; F184-L259 HydrophobicContact CG-CB 4.13Å; F184-L259 HydrophobicContact CG-CD1 4.5Å; I221-L259 HydrophobicContact CD1-CD1 3.77Å; I221-L259 HydrophobicContact CG1-CD1 3.46Å; I221-L259 VanDerWaalsContact CG1-CD1 3.46Å; L250-L259 HydrophobicContact CD2-CD2 3.44Å; L250-L259 VanDerWaalsContact CD2-CD2 3.44Å; V256-L259 HydrophobicContact CB-CD1 4.09Å; V256-L259 HydrophobicContact CG1-CD1 4.12Å; V256-L259 VanDerWaalsContact O-CB 3.31Å; V256-L259 WeakPolarHBondContact O-CB 3.35Å; V256-L259 VanDerWaalsContact O-CG 3.31Å; V256-L259 WeakPolarHBondContact O-CG 3.39Å; V256-L259 PolarHBondContact O-N 2.87Å; L259-G261 PolarHBondContact O-N 3.4Å; L259-K262 WeakPolarHBondContact O-CB 3.5Å; L259-K262 PolarHBondContact O-N 3.18Å; L259-F264 HydrophobicContact CB-CE2 4.28Å; L259-F264 HydrophobicContact CB-CZ 4.4Å; L259-F264 HydrophobicContact CD2-CE1 4.48Å; L259-F264 HydrophobicContact CD2-CE2 4.33Å; L259-F264 HydrophobicContact CD2-CZ 3.71Å; L259-F264 HydrophobicContact CG-CZ 4.45Å
260	E	92.5	Very high	85.3	Confident	88 Å²	88	60.8 Å²	60.8	41%	0.411	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	120.6	-175.9	-177.3	58.4	-157	0	0	112.3	V182 K183 K262	V182-E260 WeakPolarHBondContact CA-OE2 3.24Å; V182-E260 HydrophobicContact CG1-CB 3.97Å; K183-E260 WeakPolarHBondContact CE-OE1 3.24Å; K183-E260 VanDerWaalsContact CG-OE1 3.24Å; K183-E260 WeakPolarHBondContact CG-OE1 3.23Å; K183-E260 WeakPolarHBondContact CG-OE2 3.27Å; K183-E260 PolarHBondContact N-OE2 3.46Å; K183-E260 IonicContact NZ-OE1 3.86Å; K183-E260 PolarHBondContact NZ-OE1 2.81Å; K183-E260 WeakPolarHBondContact O-CA 3.48Å; E260-K262 PolarHBondContact O-N 3.38Å; E260-K262 VanDerWaalsContact O-N 3.14Å
261	G	88.2	Confident	83.3	Confident	35 Å²	35	67.8 Å²	67.8	36%	0.361	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	-9.8	-178.9	0	0	0	0	0	116.3	K183 L259 H263	K183-G261 PolarHBondContact O-N 3.4Å; L259-G261 PolarHBondContact O-N 3.4Å; G261-H263 PolarHBondContact O-ND1 2.82Å
262	K	91.8	Very high	81.1	Confident	68 Å²	68	68.5 Å²	68.5	30%	0.296	35%	0.346	S	S	.	.			trans	-71.7	161.2	-175.5	-66.7	-174.7	-179.5	162.4	0	113.2	Y185 E244 E258 L259 E260 F264	Y185-K262 PolarHBondContact N-O 3.48Å; E244-K262 WeakPolarHBondContact OE1-CB 3.39Å; E244-K262 WeakPolarHBondContact OE1-CD 3.25Å; E244-K262 WeakPolarHBondContact OE1-CG 3.36Å; E258-K262 WeakPolarHBondContact O-CD 3.38Å; E258-K262 WeakPolarHBondContact O-CE 3.46Å; E258-K262 PolarHBondContact O-NZ 2.88Å; L259-K262 WeakPolarHBondContact O-CB 3.5Å; L259-K262 PolarHBondContact O-N 3.18Å; E260-K262 PolarHBondContact O-N 3.38Å; E260-K262 VanDerWaalsContact O-N 3.14Å; K262-F264 HydrophobicContact CB-CE1 4.36Å; K262-F264 HydrophobicContact CB-CE2 3.46Å; K262-F264 VanDerWaalsContact CB-CE2 3.46Å; K262-F264 HydrophobicContact CB-CZ 3.35Å; K262-F264 HydrophobicContact CD-CZ 3.94Å; K262-F264 HydrophobicContact CG-CZ 4.3Å
263	H	91.2	Very high	78.5	Confident	49 Å²	49	72.3 Å²	72.3	23%	0.227	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.9	-167.5	-81.2	75.9	0	0	0	112.1	Y185 K210 G261	Y185-H263 AromaticContact CD2-CE1 3.28Å; Y185-H263 WeakPolarHBondContact CD2-CE1 3.41Å; Y185-H263 AromaticContact CD2-ND1 3.65Å; Y185-H263 AromaticContact CD2-NE2 3.71Å; Y185-H263 AromaticContact CE2-CE1 3.86Å; Y185-H263 AromaticContact CG-CE1 3.84Å; Y185-H263 AromaticContact CG-NE2 3.77Å; Y185-H263 WeakPolarHBondContact O-CA 3.44Å; K210-H263 PolarHBondContact NZ-CD2 3.23Å; K210-H263 PolarHBondContact NZ-NE2 3.35Å; G261-H263 PolarHBondContact O-ND1 2.82Å
264	F	91.6	Very high	76	Confident	1 Å²	1	73.5 Å²	73.5	0%	0.004	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.8	-171.3	-49.6	-87.5	0	0	0	113.7	F184 Y185 I186 H187 L242 I243 E244 L250 L259 K262	F184-F264 HydrophobicContact CB-CE2 4.25Å; F184-F264 HydrophobicContact CD2-CD2 4.1Å; F184-F264 HydrophobicContact CD2-CE2 4.16Å; Y185-F264 PolarHBondContact O-N 3.05Å; I186-F264 HydrophobicContact CD1-CB 3.84Å; I186-F264 HydrophobicContact CD1-CD2 4.16Å; I186-F264 HydrophobicContact CD1-CG 4.42Å; H187-F264 PolarHBondContact N-O 3.33Å; H187-F264 PolarHBondContact ND1-O 3.13Å; L242-F264 HydrophobicContact CB-CB 3.95Å; L242-F264 HydrophobicContact CB-CD1 3.85Å; L242-F264 HydrophobicContact CB-CG 4.05Å; L242-F264 HydrophobicContact CD1-CB 3.95Å; L242-F264 HydrophobicContact CD1-CD1 4.12Å; L242-F264 HydrophobicContact CD1-CD2 3.97Å; L242-F264 HydrophobicContact CD1-CG 3.74Å; L242-F264 HydrophobicContact CD2-CB 3.96Å; L242-F264 HydrophobicContact CG-CB 4.16Å; L242-F264 HydrophobicContact CG-CG 4.36Å; I243-F264 CarbonylContact O-C 3.59Å; I243-F264 WeakPolarHBondContact O-CA 3.31Å; E244-F264 HydrophobicContact CB-CD1 3.7Å; E244-F264 HydrophobicContact CB-CE1 3.7Å; E244-F264 HydrophobicContact CG-CE1 4.33Å; L250-F264 HydrophobicContact CD1-CE1 4.05Å; L250-F264 HydrophobicContact CD2-CE1 3.83Å; L250-F264 HydrophobicContact CD2-CZ 4.24Å; L259-F264 HydrophobicContact CB-CE2 4.28Å; L259-F264 HydrophobicContact CB-CZ 4.4Å; L259-F264 HydrophobicContact CD2-CE1 4.48Å; L259-F264 HydrophobicContact CD2-CE2 4.33Å; L259-F264 HydrophobicContact CD2-CZ 3.71Å; L259-F264 HydrophobicContact CG-CZ 4.45Å; K262-F264 HydrophobicContact CB-CE1 4.36Å; K262-F264 HydrophobicContact CB-CE2 3.46Å; K262-F264 VanDerWaalsContact CB-CE2 3.46Å; K262-F264 HydrophobicContact CB-CZ 3.35Å; K262-F264 HydrophobicContact CD-CZ 3.94Å; K262-F264 HydrophobicContact CG-CZ 4.3Å
265	Q	89.9	Confident	73.5	Confident	51 Å²	51	76.2 Å²	76.2	24%	0.238	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.2	167.3	-58.5	-178.5	28.1	0	0	108.6	H187 I191 L242 I243	H187-Q265 HydrophobicContact CB-CG 4.07Å; I191-Q265 HydrophobicContact CD1-CB 3.85Å; I191-Q265 HydrophobicContact CG1-CB 4.11Å; L242-Q265 WeakPolarHBondContact CA-O 3.5Å; I243-Q265 PolarHBondContact N-O 2.93Å; I243-Q265 PolarHBondContact O-N 3.38Å
266	V	88.7	Confident	70.6	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.2	177	179.8	0	0	0	0	109.2	I186 G190 I191 I198 L225 L235 W240 L242 V268	I186-V266 HydrophobicContact CG2-CG2 3.89Å; G190-V266 CarbonylContact C-O 3.59Å; G190-V266 VanDerWaalsContact CA-O 3.23Å; G190-V266 WeakPolarHBondContact CA-O 3.5Å; I191-V266 WeakPolarHBondContact CG1-O 3.25Å; I191-V266 PolarHBondContact N-O 2.91Å; I198-V266 HydrophobicContact CD1-CB 4.16Å; I198-V266 HydrophobicContact CD1-CG2 3.78Å; L225-V266 HydrophobicContact CD2-CG2 4.33Å; L235-V266 HydrophobicContact CD2-CG1 4.01Å; W240-V266 HydrophobicContact CB-CG1 4.08Å; W240-V266 HydrophobicContact CD2-CG1 4.23Å; W240-V266 HydrophobicContact CE3-CG1 3.93Å; W240-V266 HydrophobicContact CG-CG1 4.31Å; L242-V266 HydrophobicContact CD2-CG2 3.78Å; V266-V268 HydrophobicContact CG1-CG2 4.33Å
267	E	85.8	Confident	67.7	Low	50 Å²	50	82.1 Å²	82.1	23%	0.234	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.6	164.3	-174.2	163.3	-113	0	0	109.8	I191 W240 K241 I243	I191-E267 HydrophobicContact CD1-CB 4.15Å; I191-E267 HydrophobicContact CG1-CB 3.89Å; W240-E267 VanDerWaalsContact CA-O 3.23Å; W240-E267 WeakPolarHBondContact CA-O 3.29Å; W240-E267 VanDerWaalsContact CB-O 3.25Å; W240-E267 WeakPolarHBondContact CB-O 3.31Å; K241-E267 WeakPolarHBondContact CE-OE2 3.29Å; K241-E267 HydrophobicContact CG-CB 4.23Å; K241-E267 PolarHBondContact N-O 3.25Å; K241-E267 IonicContact NZ-OE2 2.64Å; K241-E267 PolarHBondContact NZ-OE2 2.7Å; K241-E267 VanDerWaalsContact NZ-OE2 3.08Å; K241-E267 PolarHBondContact O-N 2.99Å; I243-E267 HydrophobicContact CD1-CB 3.8Å; I243-E267 HydrophobicContact CG1-CB 4.21Å
268	V	74.8	Confident	64.7	Low	24 Å²	24	83.7 Å²	83.7	15%	0.145	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.3	175.3	-174.8	0	0	0	0	108.5	F234 D238 W240 V266	F234-V268 HydrophobicContact CE2-CG2 3.65Å; F234-V268 HydrophobicContact CZ-CG2 4.33Å; D238-V268 HydrophobicContact CB-CG1 4.23Å; W240-V268 HydrophobicContact CB-CG2 4.29Å; V266-V268 HydrophobicContact CG1-CG2 4.33Å
269	E	65.4	Low	61.9	Low	100 Å²	100	81 Å²	81	47%	0.467	48%	0.481	S	S	.	.			trans	-74.7	134.2	177.5	-67.7	-159.2	163.2	0	0	110.2	D239 K241 R271	D239-E269 PolarHBondContact O-N 3.48Å; D239-E269 VanDerWaalsContact O-N 3.1Å; K241-E269 HydrophobicContact CD-CG 4.15Å; K241-E269 WeakPolarHBondContact CD-OE1 3.41Å; K241-E269 WeakPolarHBondContact CE-OE1 3.3Å; K241-E269 IonicContact NZ-OE1 2.63Å; K241-E269 PolarHBondContact NZ-OE1 3.11Å; E269-R271 PolarHBondContact O-N 2.68Å
270	K	52.6	Low	59.1	Low	180 Å²	180	87.7 Å²	87.7	78%	0.783	51%	0.506	S	S	*	.			trans	-92.8	98.8	170.8	-166.7	-175.5	-177.4	-169.5	0	107.9	V272	K270-V272 PolarHBondContact O-N 3.4Å
271	R	40.6	Very low	56	Low	169 Å²	169	90.2 Å²	90.2	64%	0.638	52%	0.522	S	S	*	.			trans	-48.7	108.4	165.9	-79.5	-163.1	-162.6	-152.8	3.3	109.4	D239 E269 V273	D239-R271 VanDerWaalsContact CG-NE 3.31Å; D239-R271 IonicContact OD1-CZ 3.08Å; D239-R271 IonicContact OD1-NE 2.72Å; D239-R271 PolarHBondContact OD1-NE 2.64Å; D239-R271 IonicContact OD1-NH2 3.47Å; D239-R271 PolarHBondContact OD1-NH2 3.3Å; D239-R271 WeakPolarHBondContact OD2-CD 3.4Å; D239-R271 WeakPolarHBondContact OD2-CG 3.43Å; D239-R271 IonicContact OD2-CZ 2.69Å; D239-R271 IonicContact OD2-NE 3.54Å; D239-R271 PolarHBondContact OD2-NE 2.92Å; D239-R271 IonicContact OD2-NH2 3.52Å; E269-R271 PolarHBondContact O-N 2.68Å; R271-V273 VanDerWaalsContact C-N 3.26Å; R271-V273 HydrophobicContact CB-CG2 3.93Å; R271-V273 HydrophobicContact CG-CG2 4.15Å; R271-V273 PolarHBondContact O-N 2.91Å
272	V	37.8	Very low	53.5	Low	134 Å²	134	92.2 Å²	92.2	81%	0.812	53%	0.528	S	S	*	.			trans	-93.2	71.8	160.8	-175.2	0	0	0	0	105.8	K270	K270-V272 PolarHBondContact O-N 3.4Å
273	V	29.9	Very low	50.6	Low	99 Å²	99	97.8 Å²	97.8	60%	0.6	56%	0.556	S	S	*	*			trans	-107	131.3	177.2	-179.7	0	0	0	0	108.2	R271	R271-V273 VanDerWaalsContact C-N 3.26Å; R271-V273 HydrophobicContact CB-CG2 3.93Å; R271-V273 HydrophobicContact CG-CG2 4.15Å; R271-V273 PolarHBondContact O-N 2.91Å
274	P	33.6	Very low	47.9	Very low	116 Å²	116	101 Å²	101	75%	0.753	58%	0.584	S	S	*	*			trans	-54.4	153.6	171.9	-26.1	35.6	0	0	0	112.4	A276	P274-A276 PolarHBondContact O-N 3.41Å; P274-A276 VanDerWaalsContact O-N 3.09Å
275	S	34.7	Very low	45.3	Very low	133 Å²	133	106.9 Å²	106.9	93%	0.93	61%	0.611	S	S	*	*	S	Bend	trans	-62.4	110	-168.4	-169.5	0	0	0	0	114
276	A	30.1	Very low	42.7	Very low	93 Å²	93	113.9 Å²	113.9	77%	0.769	64%	0.641	S	S	*	*			trans	-159.6	154.3	150.5	0	0	0	0	0	110.5	P274	P274-A276 PolarHBondContact O-N 3.41Å; P274-A276 VanDerWaalsContact O-N 3.09Å
277	A	31.3	Very low	39.9	Very low	105 Å²	105	122.5 Å²	122.5	87%	0.868	67%	0.673	S	S	*	*			trans	-45.4	153.2	-175.2	0	0	0	0	0	115.9
278	A	28.1	Very low	37.5	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	70%	0.701	S	S	*	*			cis	-147.6	-165.6	1.6	0	0	0	0	0	108.5
279	S	29.7	Very low	35.3	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	73%	0.728	S	S	*	*			cis	-154.4	158	-3.9	38.3	0	0	0	0	108.6
280	R	32.2	Very low	34.1	Very low	145 Å²	145	132.7 Å²	132.7	55%	0.547	74%	0.744	S	S	.	*			trans	-144.1	140.2	177.8	-73.6	-174.4	168.1	168.7	-1.8	114.4	E285 K339	R280-E285 WeakPolarHBondContact CD-OE1 3.45Å; R280-E285 IonicContact CZ-OE1 2.7Å; R280-E285 IonicContact NE-OE1 3.27Å; R280-E285 IonicContact NH1-OE1 2.63Å; R280-E285 PolarHBondContact NH1-OE1 3.23Å; R280-K339 PolarHBondContact O-NZ 3.36Å
281	N	28.2	Very low	33.8	Very low	140 Å²	140	129.4 Å²	129.4	75%	0.749	74%	0.739	S	S	*	*			trans	-90.7	154.8	156.7	-92.7	-4.1	0	0	0	110.6
282	P	35.8	Very low	34.2	Very low	77 Å²	77	126.3 Å²	126.3	50%	0.5	73%	0.734	S	S	.	*			trans	-129.3	56.7	-133.2	40.5	-24.6	0	0	0	115.3	K339	P282-K339 HydrophobicContact CG-CB 4.42Å
283	E	29.9	Very low	35.4	Very low	186 Å²	186	128.3 Å²	128.3	87%	0.869	73%	0.727	S	S	*	*	S	Bend	trans	-126.4	-5.4	-175.3	-103.7	-172.5	-175.4	0	0	118.9
284	S	35.8	Very low	37.1	Very low	117 Å²	117	131.5 Å²	131.5	82%	0.818	74%	0.736	S	S	*	*			trans	-142.2	32.3	175.4	66.3	0	0	0	0	116.1	K286	S284-K286 PolarHBondContact O-N 3.5Å
285	E	36	Very low	38.7	Very low	124 Å²	124	132.5 Å²	132.5	58%	0.579	73%	0.73	S	S	*	*			trans	-64.4	105	161.5	-69.8	-157.4	161.7	0	0	110	R280 R287	R280-E285 WeakPolarHBondContact CD-OE1 3.45Å; R280-E285 IonicContact CZ-OE1 2.7Å; R280-E285 IonicContact NE-OE1 3.27Å; R280-E285 IonicContact NH1-OE1 2.63Å; R280-E285 PolarHBondContact NH1-OE1 3.23Å; E285-R287 PolarHBondContact O-N 2.82Å
286	K	36.2	Very low	40.3	Very low	197 Å²	197	129.6 Å²	129.6	86%	0.857	70%	0.704	S	S	*	*			trans	-49.4	104.4	140.2	-86.1	-176.3	174.6	180	0	105.3	S284 N288	S284-K286 PolarHBondContact O-N 3.5Å; K286-N288 PolarHBondContact O-N 2.9Å
287	R	29.1	Very low	42.1	Very low	181 Å²	181	126.7 Å²	126.7	68%	0.683	68%	0.676	S	S	*	*			trans	-44.8	116	173.1	-79.8	-179.1	172.1	178.1	-4.5	107.1	E285 T289	E285-R287 PolarHBondContact O-N 2.82Å; R287-T289 PolarHBondContact O-N 3.43Å
288	N	34.8	Very low	44.1	Very low	154 Å²	154	125.1 Å²	125.1	82%	0.824	66%	0.663	S	S	*	*			trans	-63.7	92.4	155.4	-79.3	-31.2	0	0	0	104.2	K286 C290	K286-N288 PolarHBondContact O-N 2.9Å; N288-C290 VanDerWaalsContact C-N 3.28Å; N288-C290 PolarHBondContact O-N 3.42Å
289	T	29.7	Very low	46.6	Very low	116 Å²	116	127 Å²	127	71%	0.712	66%	0.655	S	S	*	*			trans	-57	103.1	169.2	-43.3	0	0	0	0	104.6	R287 V291	R287-T289 PolarHBondContact O-N 3.43Å; T289-V291 PolarHBondContact O-N 3.44Å
290	C	39.5	Very low	49	Very low	119 Å²	119	127.8 Å²	127.8	80%	0.804	64%	0.643	S	S	*	*			trans	-67.4	91.3	171.1	-167.9	0	0	0	0	105	N288 L292	N288-C290 VanDerWaalsContact C-N 3.28Å; N288-C290 PolarHBondContact O-N 3.42Å; C290-L292 PolarHBondContact O-N 2.86Å
291	V	46.3	Very low	51.2	Low	111 Å²	111	125 Å²	125	67%	0.673	64%	0.644	S	S	*	*			trans	-61.8	108.7	169.3	-178.5	0	0	0	0	104	T289 R293	T289-V291 PolarHBondContact O-N 3.44Å; V291-R293 PolarHBondContact O-N 3.31Å
292	L	50.1	Low	53.8	Low	103 Å²	103	121.9 Å²	121.9	54%	0.539	63%	0.633	S	S	.	*			trans	-45.4	119.5	171.3	-82.2	161.3	0	0	0	106.9	C290 E294 I296 V297	C290-L292 PolarHBondContact O-N 2.86Å; L292-E294 PolarHBondContact O-N 3.36Å; L292-I296 HydrophobicContact CD2-CG2 4.4Å; L292-V297 HydrophobicContact CB-CG2 3.52Å; L292-V297 HydrophobicContact CD1-CG2 4.39Å
293	R	62.2	Low	55.7	Low	177 Å²	177	122.7 Å²	122.7	67%	0.668	63%	0.632	S	S	*	*			trans	-51.2	133.2	-179.8	-72.9	-172.5	178.5	-137.9	3.4	107.7	V291 Q295 I296 V297	V291-R293 PolarHBondContact O-N 3.31Å; R293-Q295 PolarHBondContact O-N 2.69Å; R293-I296 HydrophobicContact CB-CD1 4.24Å; R293-I296 HydrophobicContact CB-CG1 4.28Å; R293-I296 WeakPolarHBondContact O-CA 3.33Å; R293-I296 WeakPolarHBondContact O-CB 3.47Å; R293-I296 PolarHBondContact O-N 3.44Å; R293-V297 PolarHBondContact O-N 3.49Å
294	E	65.8	Low	58.1	Low	166 Å²	166	119.6 Å²	119.6	78%	0.776	62%	0.616	S	S	*	*	H	α-helix	trans	-56.4	-30.4	-174.2	-63.5	178.5	149.9	0	0	111.8	L292 I296 V297 A298	L292-E294 PolarHBondContact O-N 3.36Å; E294-I296 PolarHBondContact O-N 2.94Å; E294-V297 PolarHBondContact O-N 3.09Å; E294-A298 VanDerWaalsContact O-CB 3.32Å; E294-A298 WeakPolarHBondContact O-CB 3.42Å; E294-A298 PolarHBondContact O-N 3.03Å
295	Q	68.3	Low	60.2	Low	137 Å²	137	122.3 Å²	122.3	64%	0.64	61%	0.608	S	S	*	*	H	α-helix	trans	-56.7	-41.9	170.4	-66.1	170.3	-37.1	0	0	113.6	R293 Q299	R293-Q295 PolarHBondContact O-N 2.69Å; Q295-Q299 WeakPolarHBondContact O-CG 3.34Å; Q295-Q299 PolarHBondContact O-N 2.63Å
296	I	67	Low	62.3	Low	72 Å²	72	120.4 Å²	120.4	37%	0.369	60%	0.599	S	S	.	*	H	α-helix	trans	-72.2	-43.3	176.3	-58.5	172.7	0	0	0	109.6	L292 R293 E294 A298 Q299 Y300	L292-I296 HydrophobicContact CD2-CG2 4.4Å; R293-I296 HydrophobicContact CB-CD1 4.24Å; R293-I296 HydrophobicContact CB-CG1 4.28Å; R293-I296 WeakPolarHBondContact O-CA 3.33Å; R293-I296 WeakPolarHBondContact O-CB 3.47Å; R293-I296 PolarHBondContact O-N 3.44Å; E294-I296 PolarHBondContact O-N 2.94Å; I296-A298 PolarHBondContact O-N 3.39Å; I296-Q299 PolarHBondContact O-N 3.14Å; I296-Q299 VanDerWaalsContact O-N 3.14Å; I296-Y300 HydrophobicContact CG2-CD2 4.35Å; I296-Y300 WeakPolarHBondContact O-CD2 3.22Å; I296-Y300 PolarHBondContact O-N 2.86Å
297	V	68	Low	64.2	Low	32 Å²	32	112.9 Å²	112.9	19%	0.194	57%	0.572	C	S	.	*	H	α-helix	trans	-63.2	-31.9	177.6	-175.3	0	0	0	0	111.7	L292 R293 E294 Y300 K304	L292-V297 HydrophobicContact CB-CG2 3.52Å; L292-V297 HydrophobicContact CD1-CG2 4.39Å; R293-V297 PolarHBondContact O-N 3.49Å; E294-V297 PolarHBondContact O-N 3.09Å; V297-Y300 CarbonylContact O-C 3.52Å; V297-Y300 PolarHBondContact O-N 3.2Å; V297-K304 HydrophobicContact CG1-CB 3.77Å; V297-K304 HydrophobicContact CG1-CD 4.31Å; V297-K304 HydrophobicContact CG1-CG 3.96Å
298	A	73.3	Confident	66.6	Low	71 Å²	71	108.3 Å²	108.3	59%	0.587	56%	0.558	S	S	*	*	H	α-helix	trans	-69.6	-35	174.6	0	0	0	0	0	113.1	E294 I296 Y300	E294-A298 VanDerWaalsContact O-CB 3.32Å; E294-A298 WeakPolarHBondContact O-CB 3.42Å; E294-A298 PolarHBondContact O-N 3.03Å; I296-A298 PolarHBondContact O-N 3.39Å; A298-Y300 PolarHBondContact O-N 3.19Å
299	Q	80.1	Confident	68.9	Low	137 Å²	137	105.6 Å²	105.6	64%	0.64	54%	0.539	S	S	*	.	H	α-helix	trans	-68.2	-21.8	175.1	-71.9	173.2	8.1	0	0	113.2	Q295 I296 P301	Q295-Q299 WeakPolarHBondContact O-CG 3.34Å; Q295-Q299 PolarHBondContact O-N 2.63Å; I296-Q299 PolarHBondContact O-N 3.14Å; I296-Q299 VanDerWaalsContact O-N 3.14Å; Q299-P301 WeakPolarHBondContact O-CD 3.22Å
300	Y	80.8	Confident	71.2	Confident	121 Å²	121	104.6 Å²	104.6	48%	0.475	53%	0.529	S	S	.	.			trans	-125.7	79.1	-178.9	-61.9	-83.7	0	0	0	112	I296 V297 A298 S302 L303 K304	I296-Y300 HydrophobicContact CG2-CD2 4.35Å; I296-Y300 WeakPolarHBondContact O-CD2 3.22Å; I296-Y300 PolarHBondContact O-N 2.86Å; V297-Y300 CarbonylContact O-C 3.52Å; V297-Y300 PolarHBondContact O-N 3.2Å; A298-Y300 PolarHBondContact O-N 3.19Å; Y300-S302 PolarHBondContact O-N 3.05Å; Y300-S302 VanDerWaalsContact O-N 3.1Å; Y300-L303 HydrophobicContact CD2-CD1 4.33Å; Y300-L303 HydrophobicContact CG-CD1 3.98Å; Y300-L303 WeakPolarHBondContact O-CB 3.06Å; Y300-L303 PolarHBondContact O-N 2.86Å; Y300-K304 PolarHBondContact O-N 2.95Å
301	P	78.5	Confident	73	Confident	87 Å²	87	103.6 Å²	103.6	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-57.7	-26.9	179.8	-25.8	35	0	0	0	114.3	Q299 K304 R305	Q299-P301 WeakPolarHBondContact O-CD 3.22Å; P301-K304 PolarHBondContact O-N 3.03Å; P301-R305 PolarHBondContact O-N 2.9Å
302	S	82.6	Confident	74.6	Confident	74 Å²	74	103 Å²	103	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-48.8	171.6	49.5	0	0	0	0	112	Y300 K304 R305 E306	Y300-S302 PolarHBondContact O-N 3.05Å; Y300-S302 VanDerWaalsContact O-N 3.1Å; S302-K304 VanDerWaalsContact C-N 3.29Å; S302-K304 PolarHBondContact O-N 3.3Å; S302-R305 WeakPolarHBondContact O-CB 3.42Å; S302-R305 PolarHBondContact O-N 2.63Å; S302-R305 VanDerWaalsContact O-N 3.14Å; S302-E306 PolarHBondContact O-N 3.3Å
303	L	76.3	Confident	75.8	Confident	94 Å²	94	102.4 Å²	102.4	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-59.5	-39.8	175.3	-70.2	-179.9	0	0	0	111.5	Y300 S307	Y300-L303 HydrophobicContact CD2-CD1 4.33Å; Y300-L303 HydrophobicContact CG-CD1 3.98Å; Y300-L303 WeakPolarHBondContact O-CB 3.06Å; Y300-L303 PolarHBondContact O-N 2.86Å; L303-S307 VanDerWaalsContact O-CB 3.24Å; L303-S307 WeakPolarHBondContact O-CB 3.38Å; L303-S307 PolarHBondContact O-N 3.22Å; L303-S307 PolarHBondContact O-OG 3.34Å
304	K	78.9	Confident	76.1	Confident	121 Å²	121	98.8 Å²	98.8	53%	0.526	49%	0.487	S	S	.	.	H	α-helix	trans	-59	-50.8	173.7	-168.3	176.2	-179	177.5	0	111	V297 Y300 P301 S302 S307 E308	V297-K304 HydrophobicContact CG1-CB 3.77Å; V297-K304 HydrophobicContact CG1-CD 4.31Å; V297-K304 HydrophobicContact CG1-CG 3.96Å; Y300-K304 PolarHBondContact O-N 2.95Å; P301-K304 PolarHBondContact O-N 3.03Å; S302-K304 VanDerWaalsContact C-N 3.29Å; S302-K304 PolarHBondContact O-N 3.3Å; K304-S307 PolarHBondContact O-N 3.24Å; K304-S307 PolarHBondContact O-OG 3.2Å; K304-E308 PolarHBondContact O-N 3.33Å
305	R	81.6	Confident	76.5	Confident	174 Å²	174	97.6 Å²	97.6	66%	0.657	48%	0.479	S	S	*	.	H	α-helix	trans	-59.2	-47.8	179.9	-169.4	-172.8	-60.3	-173.2	1.1	112.5	P301 S302 E308 K309	P301-R305 PolarHBondContact O-N 2.9Å; S302-R305 WeakPolarHBondContact O-CB 3.42Å; S302-R305 PolarHBondContact O-N 2.63Å; S302-R305 VanDerWaalsContact O-N 3.14Å; R305-E308 PolarHBondContact O-N 2.93Å; R305-K309 PolarHBondContact O-N 3.34Å; R305-K309 VanDerWaalsContact O-N 3.09Å
306	E	79.5	Confident	76.8	Confident	84 Å²	84	96.6 Å²	96.6	39%	0.393	47%	0.473	S	S	.	.	H	α-helix	trans	-67.7	-37.2	177.5	-62	-45.8	120.6	0	0	111.9	S302 E308 K309 I310	S302-E306 PolarHBondContact O-N 3.3Å; E306-E308 VanDerWaalsContact C-N 3.31Å; E306-E308 PolarHBondContact O-N 2.94Å; E306-K309 VanDerWaalsContact CD-NZ 3.31Å; E306-K309 PolarHBondContact O-N 3.5Å; E306-K309 WeakPolarHBondContact OE1-CE 3.25Å; E306-K309 IonicContact OE1-NZ 2.77Å; E306-K309 PolarHBondContact OE1-NZ 3.44Å; E306-K309 WeakPolarHBondContact OE2-CD 3.46Å; E306-K309 IonicContact OE2-NZ 2.74Å; E306-K309 PolarHBondContact OE2-NZ 3.09Å; E306-K309 VanDerWaalsContact OE2-NZ 3.11Å; E306-I310 WeakPolarHBondContact O-CB 3Å; E306-I310 VanDerWaalsContact O-CG1 3.27Å; E306-I310 WeakPolarHBondContact O-CG1 3.37Å; E306-I310 PolarHBondContact O-N 2.98Å
307	S	75.1	Confident	76.7	Confident	40 Å²	40	99.1 Å²	99.1	28%	0.28	48%	0.481	S	S	.	.	H	α-helix	trans	-62.3	-37.1	175.3	81.8	0	0	0	0	112.7	L303 K304 I310 K311	L303-S307 VanDerWaalsContact O-CB 3.24Å; L303-S307 WeakPolarHBondContact O-CB 3.38Å; L303-S307 PolarHBondContact O-N 3.22Å; L303-S307 PolarHBondContact O-OG 3.34Å; K304-S307 PolarHBondContact O-N 3.24Å; K304-S307 PolarHBondContact O-OG 3.2Å; S307-I310 PolarHBondContact O-N 2.86Å; S307-K311 VanDerWaalsContact O-CG 3.25Å; S307-K311 WeakPolarHBondContact O-CG 3.34Å; S307-K311 PolarHBondContact O-N 3.44Å
308	E	81.3	Confident	76.4	Confident	85 Å²	85	102.8 Å²	102.8	40%	0.397	50%	0.498	S	S	.	.	H	α-helix	trans	-72	-40.8	175.7	-67.9	-52.1	141.5	0	0	112.1	K304 R305 E306 I310 K311 E312	K304-E308 PolarHBondContact O-N 3.33Å; R305-E308 PolarHBondContact O-N 2.93Å; E306-E308 VanDerWaalsContact C-N 3.31Å; E306-E308 PolarHBondContact O-N 2.94Å; E308-I310 VanDerWaalsContact C-N 3.29Å; E308-I310 PolarHBondContact O-N 3.19Å; E308-K311 PolarHBondContact O-N 3.05Å; E308-K311 IonicContact OE1-NZ 3.89Å; E308-K311 PolarHBondContact OE1-NZ 3.15Å; E308-K311 WeakPolarHBondContact OE2-CD 3.36Å; E308-K311 IonicContact OE2-NZ 2.99Å; E308-E312 WeakPolarHBondContact O-CB 3.49Å; E308-E312 PolarHBondContact O-N 3.04Å
309	K	82.1	Confident	76	Confident	96 Å²	96	108.2 Å²	108.2	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-56.6	-43.2	170.8	-72.6	171.5	176.3	176.4	0	111.9	R305 E306 E312 N313	R305-K309 PolarHBondContact O-N 3.34Å; R305-K309 VanDerWaalsContact O-N 3.09Å; E306-K309 VanDerWaalsContact CD-NZ 3.31Å; E306-K309 PolarHBondContact O-N 3.5Å; E306-K309 WeakPolarHBondContact OE1-CE 3.25Å; E306-K309 IonicContact OE1-NZ 2.77Å; E306-K309 PolarHBondContact OE1-NZ 3.44Å; E306-K309 WeakPolarHBondContact OE2-CD 3.46Å; E306-K309 IonicContact OE2-NZ 2.74Å; E306-K309 PolarHBondContact OE2-NZ 3.09Å; E306-K309 VanDerWaalsContact OE2-NZ 3.11Å; K309-E312 PolarHBondContact O-N 3.21Å; K309-N313 WeakPolarHBondContact O-CB 2.92Å; K309-N313 PolarHBondContact O-N 3.06Å
310	I	77.2	Confident	75.1	Confident	96 Å²	96	106.9 Å²	106.9	49%	0.492	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-49.6	176.6	-70	165.7	0	0	0	110.3	E306 S307 E308 E312 N313 F314	E306-I310 WeakPolarHBondContact O-CB 3Å; E306-I310 VanDerWaalsContact O-CG1 3.27Å; E306-I310 WeakPolarHBondContact O-CG1 3.37Å; E306-I310 PolarHBondContact O-N 2.98Å; S307-I310 PolarHBondContact O-N 2.86Å; E308-I310 VanDerWaalsContact C-N 3.29Å; E308-I310 PolarHBondContact O-N 3.19Å; I310-E312 VanDerWaalsContact C-N 3.32Å; I310-E312 PolarHBondContact O-N 3.3Å; I310-N313 PolarHBondContact O-N 3.01Å; I310-F314 HydrophobicContact CG2-CD2 3.69Å; I310-F314 HydrophobicContact CG2-CE2 3.6Å; I310-F314 VanDerWaalsContact O-CD2 3.25Å; I310-F314 WeakPolarHBondContact O-CD2 3.4Å; I310-F314 PolarHBondContact O-N 3.25Å
311	K	77.4	Confident	73.8	Confident	98 Å²	98	110.7 Å²	110.7	43%	0.426	53%	0.528	S	S	.	.	H	α-helix	trans	-58.6	-41.5	176	-72	166.4	-169.5	173.9	0	112.3	S307 E308 F314 K315	S307-K311 VanDerWaalsContact O-CG 3.25Å; S307-K311 WeakPolarHBondContact O-CG 3.34Å; S307-K311 PolarHBondContact O-N 3.44Å; E308-K311 PolarHBondContact O-N 3.05Å; E308-K311 IonicContact OE1-NZ 3.89Å; E308-K311 PolarHBondContact OE1-NZ 3.15Å; E308-K311 WeakPolarHBondContact OE2-CD 3.36Å; E308-K311 IonicContact OE2-NZ 2.99Å; K311-F314 PolarHBondContact O-N 3.39Å; K311-K315 WeakPolarHBondContact O-CB 3.48Å; K311-K315 WeakPolarHBondContact O-CG 3.17Å; K311-K315 PolarHBondContact O-N 2.74Å
312	E	81.6	Confident	73	Confident	98 Å²	98	111.9 Å²	111.9	46%	0.458	53%	0.529	S	S	.	.	H	α-helix	trans	-67	-43.2	178.9	-161.7	-166.2	157.7	0	0	111.3	E308 K309 I310 F314 K315 K316	E308-E312 WeakPolarHBondContact O-CB 3.49Å; E308-E312 PolarHBondContact O-N 3.04Å; K309-E312 PolarHBondContact O-N 3.21Å; I310-E312 VanDerWaalsContact C-N 3.32Å; I310-E312 PolarHBondContact O-N 3.3Å; E312-F314 PolarHBondContact O-N 2.85Å; E312-K315 PolarHBondContact O-N 2.76Å; E312-K316 HydrophobicContact CG-CD 4.45Å; E312-K316 WeakPolarHBondContact O-CB 3.35Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 3.06Å; E312-K316 WeakPolarHBondContact OE1-CE 3.38Å; E312-K316 IonicContact OE1-NZ 2.64Å; E312-K316 PolarHBondContact OE1-NZ 3.5Å
313	N	74.8	Confident	72.1	Confident	90 Å²	90	109.1 Å²	109.1	48%	0.481	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-40.9	173.7	-80	-21.6	0	0	0	112.3	K309 I310 K316 K317	K309-N313 WeakPolarHBondContact O-CB 2.92Å; K309-N313 PolarHBondContact O-N 3.06Å; I310-N313 PolarHBondContact O-N 3.01Å; N313-K316 PolarHBondContact O-N 3.39Å; N313-K317 WeakPolarHBondContact O-CB 3.43Å; N313-K317 WeakPolarHBondContact O-CG 3.1Å; N313-K317 PolarHBondContact O-N 3.26Å
314	F	68.7	Low	71.6	Confident	102 Å²	102	110.8 Å²	110.8	45%	0.447	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-45.8	171.5	-84.8	-67.3	0	0	0	111.9	I310 K311 E312 K316 K317 M318	I310-F314 HydrophobicContact CG2-CD2 3.69Å; I310-F314 HydrophobicContact CG2-CE2 3.6Å; I310-F314 VanDerWaalsContact O-CD2 3.25Å; I310-F314 WeakPolarHBondContact O-CD2 3.4Å; I310-F314 PolarHBondContact O-N 3.25Å; K311-F314 PolarHBondContact O-N 3.39Å; E312-F314 PolarHBondContact O-N 2.85Å; F314-K316 PolarHBondContact O-N 3.33Å; F314-K317 PolarHBondContact O-N 3.23Å; F314-M318 WeakPolarHBondContact O-CB 3.17Å; F314-M318 WeakPolarHBondContact O-CG 3.29Å; F314-M318 PolarHBondContact O-N 2.94Å
315	K	73.4	Confident	71.1	Confident	141 Å²	141	109 Å²	109	61%	0.613	52%	0.517	S	S	*	.	H	α-helix	trans	-60.2	-41.5	175.6	-75.5	173.3	-180	176.6	0	112.3	K311 E312 K319	K311-K315 WeakPolarHBondContact O-CB 3.48Å; K311-K315 WeakPolarHBondContact O-CG 3.17Å; K311-K315 PolarHBondContact O-N 2.74Å; E312-K315 PolarHBondContact O-N 2.76Å; K315-K319 WeakPolarHBondContact O-CG 3.46Å; K315-K319 PolarHBondContact O-N 3.33Å
316	K	74.7	Confident	70.5	Confident	115 Å²	115	103 Å²	103	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-48.7	175.4	-76.4	170.4	178	168.2	0	111.1	E312 N313 F314 M318 K319	E312-K316 HydrophobicContact CG-CD 4.45Å; E312-K316 WeakPolarHBondContact O-CB 3.35Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 3.06Å; E312-K316 WeakPolarHBondContact OE1-CE 3.38Å; E312-K316 IonicContact OE1-NZ 2.64Å; E312-K316 PolarHBondContact OE1-NZ 3.5Å; N313-K316 PolarHBondContact O-N 3.39Å; F314-K316 PolarHBondContact O-N 3.33Å; K316-M318 PolarHBondContact O-N 3.13Å; K316-K319 PolarHBondContact O-N 3.15Å
317	K	64.3	Low	69.9	Low	125 Å²	125	105.4 Å²	105.4	54%	0.543	51%	0.507	S	S	.	.	H	α-helix	trans	-66.8	-35	178.7	-71.5	-175.1	175.5	-173.6	0	113.4	N313 F314 K319 V320 L326	N313-K317 WeakPolarHBondContact O-CB 3.43Å; N313-K317 WeakPolarHBondContact O-CG 3.1Å; N313-K317 PolarHBondContact O-N 3.26Å; F314-K317 PolarHBondContact O-N 3.23Å; K317-K319 VanDerWaalsContact C-N 3.29Å; K317-K319 PolarHBondContact O-N 3.21Å; K317-V320 PolarHBondContact O-N 2.87Å; K317-L326 HydrophobicContact CB-CD2 3.99Å
318	M	62.3	Low	69.7	Low	110 Å²	110	109 Å²	109	54%	0.542	52%	0.518	S	S	.	.	H	α-helix	trans	-71.8	-16	177	-74.9	-169.9	77	0	0	114.7	F314 K316 V320	F314-M318 WeakPolarHBondContact O-CB 3.17Å; F314-M318 WeakPolarHBondContact O-CG 3.29Å; F314-M318 PolarHBondContact O-N 2.94Å; K316-M318 PolarHBondContact O-N 3.13Å; M318-V320 VanDerWaalsContact C-N 3.28Å
319	K	65.3	Low	69	Low	185 Å²	185	109.1 Å²	109.1	80%	0.804	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.6	173.3	-76.8	-179.7	176.6	-171.4	0	113.1	K315 K316 K317	K315-K319 WeakPolarHBondContact O-CG 3.46Å; K315-K319 PolarHBondContact O-N 3.33Å; K316-K319 PolarHBondContact O-N 3.15Å; K317-K319 VanDerWaalsContact C-N 3.29Å; K317-K319 PolarHBondContact O-N 3.21Å
320	V	61.4	Low	68.3	Low	108 Å²	108	107 Å²	107	66%	0.655	51%	0.512	S	S	*	.	S	Bend	trans	-73.7	131.4	168.1	-173.1	0	0	0	0	107.7	K317 M318 N322	K317-V320 PolarHBondContact O-N 2.87Å; M318-V320 VanDerWaalsContact C-N 3.28Å; V320-N322 VanDerWaalsContact C-N 3.34Å; V320-N322 PolarHBondContact O-N 2.75Å
321	K	52	Low	67.8	Low	201 Å²	201	110.4 Å²	110.4	87%	0.874	52%	0.519	S	S	*	.	S	Bend	trans	-62.3	85.9	-174.3	-72.8	-178.2	176.6	177.9	0	112.1
322	N	62.1	Low	67.2	Low	112 Å²	112	111 Å²	111	60%	0.599	53%	0.53	S	S	*	.			trans	173.6	45.8	153.7	-91.9	-16.2	0	0	0	111.8	V320 E324 T325 L326	V320-N322 VanDerWaalsContact C-N 3.34Å; V320-N322 PolarHBondContact O-N 2.75Å; N322-E324 VanDerWaalsContact C-N 3.3Å; N322-E324 PolarHBondContact O-N 2.86Å; N322-T325 PolarHBondContact O-N 3.05Å; N322-T325 VanDerWaalsContact O-N 3.15Å; N322-L326 WeakPolarHBondContact O-CB 3.31Å; N322-L326 PolarHBondContact O-N 3.48Å
323	G	63.8	Low	66.2	Low	16 Å²	16	113.3 Å²	113.3	17%	0.165	54%	0.539	C	S	.	.	H	α-helix	trans	-57	-34.8	-175.4	0	0	0	0	0	115.1	F327	G323-F327 VanDerWaalsContact O-CB 3.31Å; G323-F327 WeakPolarHBondContact O-CB 3.48Å; G323-F327 PolarHBondContact O-N 2.87Å
324	E	65.9	Low	65.6	Low	129 Å²	129	116.5 Å²	116.5	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-72.7	-42.5	176.2	-166.7	-172.7	151.9	0	0	112.1	N322 L326 F327 K328	N322-E324 VanDerWaalsContact C-N 3.3Å; N322-E324 PolarHBondContact O-N 2.86Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-F327 PolarHBondContact O-N 3.34Å; E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 2.89Å; E324-K328 WeakPolarHBondContact OE1-CE 3.31Å; E324-K328 IonicContact OE1-NZ 2.79Å; E324-K328 PolarHBondContact OE1-NZ 2.83Å
325	T	67.9	Low	65.2	Low	83 Å²	83	112.4 Å²	112.4	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-42.7	176	-38.5	0	0	0	0	110.8	N322 K328 L329	N322-T325 PolarHBondContact O-N 3.05Å; N322-T325 VanDerWaalsContact O-N 3.15Å; T325-K328 PolarHBondContact O-N 3.15Å; T325-L329 WeakPolarHBondContact O-CB 3.3Å; T325-L329 PolarHBondContact O-N 2.82Å
326	L	68.9	Low	64.7	Low	49 Å²	49	112.6 Å²	112.6	26%	0.257	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-40.9	174.9	-176.4	63.8	0	0	0	111.5	K317 N322 E324 L329 H330	K317-L326 HydrophobicContact CB-CD2 3.99Å; N322-L326 WeakPolarHBondContact O-CB 3.31Å; N322-L326 PolarHBondContact O-N 3.48Å; E324-L326 VanDerWaalsContact C-N 3.35Å; L326-L329 PolarHBondContact O-N 3.43Å; L326-H330 WeakPolarHBondContact O-CB 3.28Å; L326-H330 PolarHBondContact O-CD2 2.85Å; L326-H330 PolarHBondContact O-N 3.38Å
327	F	68.6	Low	63.9	Low	135 Å²	135	112 Å²	112	59%	0.592	54%	0.542	S	S	*	.	H	α-helix	trans	-66.4	-40.8	174.7	-178.8	-98	0	0	0	112.5	G323 E324 H330 R331	G323-F327 VanDerWaalsContact O-CB 3.31Å; G323-F327 WeakPolarHBondContact O-CB 3.48Å; G323-F327 PolarHBondContact O-N 2.87Å; E324-F327 PolarHBondContact O-N 3.34Å; F327-H330 PolarHBondContact O-N 2.88Å; F327-R331 WeakPolarHBondContact O-CB 3.41Å; F327-R331 PolarHBondContact O-N 3.34Å
328	K	69.1	Low	63.6	Low	115 Å²	115	109.6 Å²	109.6	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-46.7	173.1	-74.9	173.4	-174.4	166.2	0	111	E324 T325 H330 R331 V332	E324-K328 WeakPolarHBondContact O-CG 3.45Å; E324-K328 PolarHBondContact O-N 2.89Å; E324-K328 WeakPolarHBondContact OE1-CE 3.31Å; E324-K328 IonicContact OE1-NZ 2.79Å; E324-K328 PolarHBondContact OE1-NZ 2.83Å; T325-K328 PolarHBondContact O-N 3.15Å; K328-H330 VanDerWaalsContact C-N 3.35Å; K328-H330 PolarHBondContact O-N 3.45Å; K328-R331 PolarHBondContact O-N 2.85Å; K328-R331 VanDerWaalsContact O-N 3.15Å; K328-V332 WeakPolarHBondContact O-CG2 3.42Å; K328-V332 PolarHBondContact O-N 3.29Å
329	L	67.9	Low	63.7	Low	88 Å²	88	109.3 Å²	109.3	46%	0.461	53%	0.534	S	S	.	.	H	α-helix	trans	-57.6	-45.9	175.1	-174.6	68.3	0	0	0	111.5	T325 L326 V332 K333	T325-L329 WeakPolarHBondContact O-CB 3.3Å; T325-L329 PolarHBondContact O-N 2.82Å; L326-L329 PolarHBondContact O-N 3.43Å; L329-V332 PolarHBondContact O-N 2.96Å; L329-K333 HydrophobicContact CD1-CD 4.22Å; L329-K333 HydrophobicContact CD1-CG 4.41Å; L329-K333 HydrophobicContact CG-CD 4.44Å; L329-K333 WeakPolarHBondContact O-CB 3.23Å; L329-K333 PolarHBondContact O-N 2.76Å
330	H	66.5	Low	64	Low	51 Å²	51	104.5 Å²	104.5	24%	0.236	52%	0.517	C	S	.	.	H	α-helix	trans	-67.2	-35.5	175.7	-76.8	-58.9	0	0	0	113.1	L326 F327 K328 V332 F334 G335	L326-H330 WeakPolarHBondContact O-CB 3.28Å; L326-H330 PolarHBondContact O-CD2 2.85Å; L326-H330 PolarHBondContact O-N 3.38Å; F327-H330 PolarHBondContact O-N 2.88Å; K328-H330 VanDerWaalsContact C-N 3.35Å; K328-H330 PolarHBondContact O-N 3.45Å; H330-V332 VanDerWaalsContact C-N 3.33Å; H330-F334 HydrophobicContact CB-CD2 4.26Å; H330-F334 AromaticContact ND1-CD2 3.44Å; H330-F334 WeakPolarHBondContact ND1-CD2 3.24Å; H330-F334 AromaticContact ND1-CE2 3.34Å; H330-F334 VanDerWaalsContact ND1-CE2 3.34Å; H330-F334 WeakPolarHBondContact ND1-CE2 3.26Å; H330-F334 WeakPolarHBondContact O-CA 3.33Å; H330-F334 WeakPolarHBondContact O-CB 3.29Å; H330-F334 PolarHBondContact O-N 3.36Å; H330-G335 PolarHBondContact O-N 2.79Å
331	R	66.8	Low	64.7	Low	168 Å²	168	102.9 Å²	102.9	63%	0.634	51%	0.51	S	S	*	.	H	α-helix	trans	-67	-34.8	174.9	179.8	179.5	170.5	-167.9	-5	111.8	F327 K328 G335	F327-R331 WeakPolarHBondContact O-CB 3.41Å; F327-R331 PolarHBondContact O-N 3.34Å; K328-R331 PolarHBondContact O-N 2.85Å; K328-R331 VanDerWaalsContact O-N 3.15Å; R331-G335 WeakPolarHBondContact O-CA 3.42Å; R331-G335 PolarHBondContact O-N 2.89Å
332	V	65	Low	66.2	Low	110 Å²	110	95.4 Å²	95.4	67%	0.667	48%	0.483	S	S	*	.	H	α-helix	trans	-73.7	-48.5	175.2	172.4	0	0	0	0	110.8	K328 L329 H330	K328-V332 WeakPolarHBondContact O-CG2 3.42Å; K328-V332 PolarHBondContact O-N 3.29Å; L329-V332 PolarHBondContact O-N 2.96Å; H330-V332 VanDerWaalsContact C-N 3.33Å
333	K	60.6	Low	67.4	Low	146 Å²	146	93.1 Å²	93.1	64%	0.635	48%	0.476	S	S	*	.	H	α-helix	trans	-78.3	-29	-175.8	-68.4	-165.3	170.8	-164	0	115.3	L329	L329-K333 HydrophobicContact CD1-CD 4.22Å; L329-K333 HydrophobicContact CD1-CG 4.41Å; L329-K333 HydrophobicContact CG-CD 4.44Å; L329-K333 WeakPolarHBondContact O-CB 3.23Å; L329-K333 PolarHBondContact O-N 2.76Å
334	F	62.5	Low	68.6	Low	158 Å²	158	98.3 Å²	98.3	69%	0.693	50%	0.499	S	S	*	.	H	α-helix	trans	-128.1	3.3	-174.9	-52.7	-85.6	0	0	0	113.4	H330	H330-F334 HydrophobicContact CB-CD2 4.26Å; H330-F334 AromaticContact ND1-CD2 3.44Å; H330-F334 WeakPolarHBondContact ND1-CD2 3.24Å; H330-F334 AromaticContact ND1-CE2 3.34Å; H330-F334 VanDerWaalsContact ND1-CE2 3.34Å; H330-F334 WeakPolarHBondContact ND1-CE2 3.26Å; H330-F334 WeakPolarHBondContact O-CA 3.33Å; H330-F334 WeakPolarHBondContact O-CB 3.29Å; H330-F334 PolarHBondContact O-N 3.36Å
335	G	60.6	Low	69.9	Low	16 Å²	16	100.6 Å²	100.6	17%	0.165	51%	0.507	C	S	.	.	S	Bend	trans	-79.9	135.4	167.5	0	0	0	0	0	109.7	H330 R331 V337	H330-G335 PolarHBondContact O-N 2.79Å; R331-G335 WeakPolarHBondContact O-CA 3.42Å; R331-G335 PolarHBondContact O-N 2.89Å; G335-V337 WeakPolarHBondContact O-CG2 3.43Å; G335-V337 PolarHBondContact O-N 2.89Å
336	K	62.9	Low	71	Confident	145 Å²	145	97.4 Å²	97.4	63%	0.63	49%	0.487	S	S	*	.			trans	-69.8	84.1	162.8	-173.6	165.7	-176	157.9	0	108.6	T338 N340	K336-T338 WeakPolarHBondContact CG-O 3.48Å; K336-N340 WeakPolarHBondContact CE-OD1 3.34Å; K336-N340 PolarHBondContact NZ-OD1 3.14Å
337	V	58.4	Low	72.1	Confident	102 Å²	102	98.5 Å²	98.5	62%	0.618	50%	0.496	S	S	*	.			trans	-78.1	-40.8	178.2	-170	0	0	0	0	109.9	G335	G335-V337 WeakPolarHBondContact O-CG2 3.43Å; G335-V337 PolarHBondContact O-N 2.89Å
338	T	57	Low	73.4	Confident	75 Å²	75	99.3 Å²	99.3	46%	0.46	50%	0.499	S	S	.	.	S	Bend	trans	-87	129.8	178.3	-40.7	0	0	0	0	111.6	K336 N340 A486	K336-T338 WeakPolarHBondContact CG-O 3.48Å; T338-N340 VanDerWaalsContact C-N 3.3Å; T338-N340 PolarHBondContact O-N 3.19Å; T338-A486 HydrophobicContact CG2-CB 4.2Å
339	K	64.7	Low	74.6	Confident	104 Å²	104	96.9 Å²	96.9	45%	0.452	49%	0.491	S	S	.	.			trans	-81.3	71.9	174.5	-171.4	-169	169.1	-167.5	0	110.8	R280 P282 S341	R280-K339 PolarHBondContact O-NZ 3.36Å; P282-K339 HydrophobicContact CG-CB 4.42Å; K339-S341 PolarHBondContact O-N 3.4Å; K339-S341 VanDerWaalsContact O-N 3.09Å
340	N	72.3	Confident	76	Confident	83 Å²	83	92.9 Å²	92.9	44%	0.444	47%	0.47	S	S	.	.			trans	-81.4	37.6	180	73.2	-15.3	0	0	0	114.5	K336 T338 L468	K336-N340 WeakPolarHBondContact CE-OD1 3.34Å; K336-N340 PolarHBondContact NZ-OD1 3.14Å; T338-N340 VanDerWaalsContact C-N 3.3Å; T338-N340 PolarHBondContact O-N 3.19Å; N340-L468 HydrophobicContact CB-CD1 3.97Å
341	S	76.1	Confident	77.3	Confident	74 Å²	74	93.2 Å²	93.2	52%	0.517	48%	0.481	S	S	.	.			trans	-102	104.1	-179.8	60.9	0	0	0	0	111.2	K339	K339-S341 PolarHBondContact O-N 3.4Å; K339-S341 VanDerWaalsContact O-N 3.09Å
342	S	82.2	Confident	78.7	Confident	45 Å²	45	89.4 Å²	89.4	32%	0.315	47%	0.471	S	S	.	.			trans	-79.6	148.5	173	-60.1	0	0	0	0	111.4	H470	S342-H470 PolarHBondContact OG-NE2 2.61Å
343	S	87.3	Confident	80.1	Confident	63 Å²	63	85.9 Å²	85.9	44%	0.441	45%	0.446	S	S	.	.			trans	-77.2	150.6	173	77.3	0	0	0	0	110.5	K345 V346 V347	S343-K345 PolarHBondContact O-N 2.85Å; S343-K345 VanDerWaalsContact O-N 3.17Å; S343-V346 WeakPolarHBondContact O-CA 3.44Å; S343-V346 PolarHBondContact O-N 2.87Å; S343-V346 WeakPolarHBondContact OG-CG2 3.38Å; S343-V346 PolarHBondContact OG-N 3.47Å; S343-V347 PolarHBondContact O-N 3.47Å
344	I	90	Very high	81.8	Confident	125 Å²	125	79.7 Å²	79.7	64%	0.641	42%	0.42	S	S	*	.	H	α-helix	trans	-59.2	-29.3	176.6	-61.7	-61	0	0	0	112	V347 K348	I344-V347 PolarHBondContact O-N 3.2Å; I344-K348 HydrophobicContact CG2-CD 4.38Å; I344-K348 HydrophobicContact CG2-CG 4.38Å; I344-K348 WeakPolarHBondContact O-CB 3.38Å; I344-K348 WeakPolarHBondContact O-CG 3.34Å; I344-K348 PolarHBondContact O-N 2.98Å
345	K	92.6	Very high	83.4	Confident	178 Å²	178	75.4 Å²	75.4	77%	0.774	41%	0.405	S	S	*	.	H	α-helix	trans	-61.7	-44.1	172.7	-175	179.2	179.2	-178.6	0	111.6	S343 L349	S343-K345 PolarHBondContact O-N 2.85Å; S343-K345 VanDerWaalsContact O-N 3.17Å; K345-L349 WeakPolarHBondContact O-CB 3.47Å; K345-L349 PolarHBondContact O-N 2.9Å
346	V	90.5	Very high	85.1	Confident	15 Å²	15	74.8 Å²	74.8	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-69.8	-41.6	177.7	170.8	0	0	0	0	110.9	S343 K348 L349 L350 S548	S343-V346 WeakPolarHBondContact O-CA 3.44Å; S343-V346 PolarHBondContact O-N 2.87Å; S343-V346 WeakPolarHBondContact OG-CG2 3.38Å; S343-V346 PolarHBondContact OG-N 3.47Å; V346-K348 PolarHBondContact O-N 3.17Å; V346-L349 PolarHBondContact O-N 3.04Å; V346-L350 HydrophobicContact CG1-CD1 3.6Å; V346-L350 HydrophobicContact CG1-CG 4.23Å; V346-L350 WeakPolarHBondContact O-CB 3.37Å; V346-L350 VanDerWaalsContact O-CG 3.29Å; V346-L350 WeakPolarHBondContact O-CG 3.48Å; V346-L350 PolarHBondContact O-N 2.92Å; V346-S548 WeakPolarHBondContact CG2-O 3.4Å
347	V	93.1	Very high	86.8	Confident	73 Å²	73	67.9 Å²	67.9	44%	0.442	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-45	175.6	177.1	0	0	0	0	111.4	S343 I344 L349 L350 A351	S343-V347 PolarHBondContact O-N 3.47Å; I344-V347 PolarHBondContact O-N 3.2Å; V347-L349 PolarHBondContact O-N 3.36Å; V347-L350 PolarHBondContact O-N 2.9Å; V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.48Å
348	K	95.7	Very high	88.6	Confident	151 Å²	151	63 Å²	63	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-64	-38	175.2	-74.3	-175.1	174.9	-164.9	0	113.1	I344 V346 H352	I344-K348 HydrophobicContact CG2-CD 4.38Å; I344-K348 HydrophobicContact CG2-CG 4.38Å; I344-K348 WeakPolarHBondContact O-CB 3.38Å; I344-K348 WeakPolarHBondContact O-CG 3.34Å; I344-K348 PolarHBondContact O-N 2.98Å; V346-K348 PolarHBondContact O-N 3.17Å; K348-H352 PolarHBondContact O-N 3.26Å; K348-H352 VanDerWaalsContact O-N 3.14Å
349	L	94.9	Very high	90.4	Very high	65 Å²	65	61.1 Å²	61.1	34%	0.34	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-45	175.9	177.5	60.1	0	0	0	111.3	K345 V346 V347 H352 R353 K549	K345-L349 WeakPolarHBondContact O-CB 3.47Å; K345-L349 PolarHBondContact O-N 2.9Å; V346-L349 PolarHBondContact O-N 3.04Å; V347-L349 PolarHBondContact O-N 3.36Å; L349-H352 PolarHBondContact O-N 3.26Å; L349-R353 HydrophobicContact CD1-CG 4.17Å; L349-R353 HydrophobicContact CG-CG 4.38Å; L349-R353 WeakPolarHBondContact O-CB 3.33Å; L349-R353 WeakPolarHBondContact O-CG 3.41Å; L349-R353 PolarHBondContact O-N 2.97Å; L349-K549 VanDerWaalsContact CD2-O 3.31Å; L349-K549 WeakPolarHBondContact CD2-O 3.27Å
350	L	95.6	Very high	91.9	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-39.6	177.7	-69.5	164.4	0	0	0	111.7	V346 V347 H352 R353 S354 H470 I472 I482 F546	V346-L350 HydrophobicContact CG1-CD1 3.6Å; V346-L350 HydrophobicContact CG1-CG 4.23Å; V346-L350 WeakPolarHBondContact O-CB 3.37Å; V346-L350 VanDerWaalsContact O-CG 3.29Å; V346-L350 WeakPolarHBondContact O-CG 3.48Å; V346-L350 PolarHBondContact O-N 2.92Å; V347-L350 PolarHBondContact O-N 2.9Å; L350-H352 VanDerWaalsContact C-N 3.28Å; L350-H352 PolarHBondContact O-N 3.48Å; L350-R353 CarbonylContact O-C 3.55Å; L350-R353 PolarHBondContact O-N 2.98Å; L350-R353 VanDerWaalsContact O-N 3.14Å; L350-S354 PolarHBondContact O-N 3.46Å; L350-S354 PolarHBondContact O-OG 3.44Å; L350-H470 HydrophobicContact CD1-CB 4.02Å; L350-H470 HydrophobicContact CD2-CB 4.09Å; L350-I472 HydrophobicContact CB-CD1 4.24Å; L350-I472 HydrophobicContact CD2-CD1 4.24Å; L350-I482 HydrophobicContact CB-CD1 3.95Å; L350-I482 HydrophobicContact CD1-CD1 4.03Å; L350-I482 HydrophobicContact CG-CD1 4.44Å; L350-F546 HydrophobicContact CD2-CB 3.72Å; L350-F546 HydrophobicContact CD2-CD1 4.44Å; L350-F546 HydrophobicContact CD2-CD2 3.86Å; L350-F546 HydrophobicContact CD2-CG 3.76Å
351	A	95.3	Very high	92.9	Very high	58 Å²	58	54.9 Å²	54.9	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-26.5	174.2	0	0	0	0	0	113.8	V347 S354	V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.48Å; A351-S354 VanDerWaalsContact C-OG 3.25Å; A351-S354 WeakPolarHBondContact CA-OG 3.44Å; A351-S354 PolarHBondContact O-OG 3.06Å
352	H	95.1	Very high	93.8	Very high	89 Å²	89	51.9 Å²	51.9	41%	0.412	27%	0.27	S	S	.	.	H	α-helix	trans	-83.5	-30.3	170.7	-174.3	32	0	0	0	112	K348 L349 L350 S354 D355 M454	K348-H352 PolarHBondContact O-N 3.26Å; K348-H352 VanDerWaalsContact O-N 3.14Å; L349-H352 PolarHBondContact O-N 3.26Å; L350-H352 VanDerWaalsContact C-N 3.28Å; L350-H352 PolarHBondContact O-N 3.48Å; H352-S354 VanDerWaalsContact C-N 3.31Å; H352-D355 IonicContact CE1-OD2 2.73Å; H352-D355 IonicContact CG-OD2 3.95Å; H352-D355 IonicContact ND1-OD2 3.59Å; H352-D355 PolarHBondContact ND1-OD2 3.05Å; H352-D355 WeakPolarHBondContact O-CB 3.32Å; H352-D355 VanDerWaalsContact O-CG 3.29Å; H352-D355 PolarHBondContact O-N 3.47Å; H352-D355 VanDerWaalsContact O-OD2 3.1Å; H352-M454 WeakPolarHBondContact NE2-CE 3.36Å
353	R	95.6	Very high	94.2	Very high	36 Å²	36	54.3 Å²	54.3	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-72.4	-22.9	174.8	-68.9	-78.4	-174.5	-166.3	15.1	112.3	L349 L350 D355 S356 E455 L456 F546	L349-R353 HydrophobicContact CD1-CG 4.17Å; L349-R353 HydrophobicContact CG-CG 4.38Å; L349-R353 WeakPolarHBondContact O-CB 3.33Å; L349-R353 WeakPolarHBondContact O-CG 3.41Å; L349-R353 PolarHBondContact O-N 2.97Å; L350-R353 CarbonylContact O-C 3.55Å; L350-R353 PolarHBondContact O-N 2.98Å; L350-R353 VanDerWaalsContact O-N 3.14Å; R353-D355 VanDerWaalsContact C-N 3.26Å; R353-D355 PolarHBondContact O-N 3.3Å; R353-S356 PolarHBondContact O-N 3.39Å; R353-E455 PolarHBondContact NH1-O 3.34Å; R353-L456 HydrophobicContact CB-CD2 4.2Å; R353-L456 VanDerWaalsContact CD-CD2 3.4Å; R353-L456 HydrophobicContact CG-CD2 4.45Å; R353-F546 HydrophobicContact CB-CE1 4.04Å; R353-F546 HydrophobicContact CB-CZ 3.91Å; R353-F546 HydrophobicContact CG-CE1 4.27Å
354	S	96.4	Very high	94.1	Very high	15 Å²	15	53 Å²	53	11%	0.105	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68.8	-19.6	171.9	46.1	0	0	0	0	114.1	L350 A351 H352 S356 V357 K480	L350-S354 PolarHBondContact O-N 3.46Å; L350-S354 PolarHBondContact O-OG 3.44Å; A351-S354 VanDerWaalsContact C-OG 3.25Å; A351-S354 WeakPolarHBondContact CA-OG 3.44Å; A351-S354 PolarHBondContact O-OG 3.06Å; H352-S354 VanDerWaalsContact C-N 3.31Å; S354-S356 PolarHBondContact O-N 3Å; S354-V357 PolarHBondContact O-N 3.05Å; S354-V357 VanDerWaalsContact O-N 3.14Å; S354-K480 PolarHBondContact O-NZ 3.45Å
355	D	95.4	Very high	93.5	Very high	69 Å²	69	51.7 Å²	51.7	37%	0.369	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60.5	-30	172	-57	-25.6	0	0	0	111.2	H352 R353 P453	H352-D355 IonicContact CE1-OD2 2.73Å; H352-D355 IonicContact CG-OD2 3.95Å; H352-D355 IonicContact ND1-OD2 3.59Å; H352-D355 PolarHBondContact ND1-OD2 3.05Å; H352-D355 WeakPolarHBondContact O-CB 3.32Å; H352-D355 VanDerWaalsContact O-CG 3.29Å; H352-D355 PolarHBondContact O-N 3.47Å; H352-D355 VanDerWaalsContact O-OD2 3.1Å; R353-D355 VanDerWaalsContact C-N 3.26Å; R353-D355 PolarHBondContact O-N 3.3Å; D355-P453 WeakPolarHBondContact O-CB 3.43Å; D355-P453 WeakPolarHBondContact O-CG 3.31Å
356	S	97	Very high	93	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-90.2	-1.3	179.8	-43.7	0	0	0	0	114.2	R353 S354 F373 V374 F412 M454 L456	R353-S356 PolarHBondContact O-N 3.39Å; S354-S356 PolarHBondContact O-N 3Å; S356-F373 VanDerWaalsContact O-CA 3.25Å; S356-F373 WeakPolarHBondContact O-CA 3.45Å; S356-V374 PolarHBondContact O-N 3.29Å; S356-F412 WeakPolarHBondContact O-CE1 3.49Å; S356-M454 VanDerWaalsContact CB-O 3.26Å; S356-M454 WeakPolarHBondContact CB-O 3.2Å; S356-M454 PolarHBondContact OG-O 3.05Å; S356-L456 VanDerWaalsContact CB-CD2 3.47Å
357	V	97.8	Very high	93	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.2	179.4	-176.3	0	0	0	0	108.7	S354 T371 I472 K480 P544	S354-V357 PolarHBondContact O-N 3.05Å; S354-V357 VanDerWaalsContact O-N 3.14Å; V357-T371 HydrophobicContact CG1-CG2 3.62Å; V357-I472 HydrophobicContact CB-CG2 4.21Å; V357-I472 HydrophobicContact CG1-CG2 4.26Å; V357-I472 HydrophobicContact CG2-CB 4.19Å; V357-I472 HydrophobicContact CG2-CG2 3.88Å; V357-K480 VanDerWaalsContact O-CE 3.31Å; V357-K480 WeakPolarHBondContact O-CE 3.5Å; V357-K480 PolarHBondContact O-NZ 3.47Å; V357-P544 HydrophobicContact CG1-CG 4.49Å; V357-P544 HydrophobicContact CG2-CG 3.54Å
358	G	95.6	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.3	-173.9	0	0	0	0	0	112.8	C372 T411 F412	G358-C372 PolarHBondContact N-O 2.79Å; G358-C372 PolarHBondContact O-N 3.31Å; G358-T411 CarbonylContact C-O 3.59Å; G358-T411 VanDerWaalsContact CA-O 3.24Å; G358-T411 WeakPolarHBondContact CA-O 3.19Å; G358-F412 VanDerWaalsContact CA-CD1 3.49Å
359	Y	95.5	Very high	92.8	Very high	36 Å²	36	41.7 Å²	41.7	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.1	161.6	179.2	-106.9	0	0	0	108.3	F361 C369 V410 T411 Y414 H474 G477	Y359-F361 HydrophobicContact CD1-CB 4.28Å; Y359-F361 HydrophobicContact CE1-CB 3.78Å; Y359-C369 HydrophobicContact CD2-CB 4.43Å; Y359-C369 HydrophobicContact CE2-CB 3.48Å; Y359-C369 VanDerWaalsContact CE2-CB 3.48Å; Y359-C369 VanDerWaalsContact OH-CB 3.3Å; Y359-C369 WeakPolarHBondContact OH-CB 3.24Å; Y359-V410 WeakPolarHBondContact O-CA 3.19Å; Y359-T411 HydrophobicContact CD1-CG2 4.06Å; Y359-T411 PolarHBondContact N-O 2.92Å; Y359-T411 PolarHBondContact O-N 2.9Å; Y359-T411 VanDerWaalsContact O-N 3.08Å; Y359-Y414 HydrophobicContact CD1-CD1 4.14Å; Y359-Y414 HydrophobicContact CD1-CE1 4.49Å; Y359-Y414 AromaticContact CD2-CD1 3.86Å; Y359-Y414 HydrophobicContact CD2-CD1 3.86Å; Y359-Y414 AromaticContact CD2-CE1 3.95Å; Y359-Y414 HydrophobicContact CD2-CE1 3.95Å; Y359-Y414 HydrophobicContact CE2-CD1 4.47Å; Y359-Y414 HydrophobicContact CE2-CE1 4.14Å; Y359-Y414 AromaticContact CG-CD1 3.66Å; Y359-Y414 HydrophobicContact CG-CD1 3.66Å; Y359-Y414 HydrophobicContact CG-CE1 4.13Å; Y359-Y414 HydrophobicContact CG-CG 4.39Å; Y359-H474 HydrophobicContact CD2-CB 3.92Å; Y359-H474 AromaticContact CD2-CG 3.77Å; Y359-G477 WeakPolarHBondContact CE2-O 3.39Å
360	L	95.9	Very high	92.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.7	175.7	-170	160.5	0	0	0	107.9	W362 C369 A370 C372 T382 V386 I390 V408 V410 L443	L360-W362 HydrophobicContact CD2-CE3 3.81Å; L360-W362 HydrophobicContact CD2-CZ3 4.26Å; L360-C369 CarbonylContact O-C 3.5Å; L360-C369 WeakPolarHBondContact O-CA 3.46Å; L360-C369 WeakPolarHBondContact O-CB 3.31Å; L360-A370 HydrophobicContact CB-CB 4.49Å; L360-A370 PolarHBondContact N-O 2.55Å; L360-A370 PolarHBondContact O-N 2.96Å; L360-C372 HydrophobicContact CB-CB 4.3Å; L360-C372 HydrophobicContact CD1-CB 3.99Å; L360-T382 HydrophobicContact CD1-CG2 3.99Å; L360-V386 HydrophobicContact CD2-CG1 4.31Å; L360-I390 HydrophobicContact CD2-CD1 4.07Å; L360-V408 HydrophobicContact CD1-CG1 4.31Å; L360-V408 HydrophobicContact CD2-CG1 3.87Å; L360-V408 HydrophobicContact CG-CG1 3.89Å; L360-V410 HydrophobicContact CB-CG2 4.49Å; L360-V410 HydrophobicContact CG-CG2 4.2Å; L360-L443 HydrophobicContact CD1-CD1 4.32Å
361	F	94.1	Very high	93	Very high	56 Å²	56	38.5 Å²	38.5	25%	0.246	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.2	177.2	169.8	-96.2	0	0	0	110.4	Y359 D363 T367 G368 V408 R409	Y359-F361 HydrophobicContact CD1-CB 4.28Å; Y359-F361 HydrophobicContact CE1-CB 3.78Å; F361-D363 HydrophobicContact CE1-CB 3.92Å; F361-D363 HydrophobicContact CZ-CB 4Å; F361-T367 HydrophobicContact CE2-CG2 3.58Å; F361-T367 HydrophobicContact CZ-CG2 3.67Å; F361-G368 VanDerWaalsContact CD2-O 3.26Å; F361-G368 WeakPolarHBondContact CD2-O 3.31Å; F361-V408 WeakPolarHBondContact O-CA 3.2Å; F361-R409 PolarHBondContact N-O 3.24Å; F361-R409 PolarHBondContact O-N 3.06Å
362	W	94.5	Very high	93.1	Very high	11 Å²	11	35.8 Å²	35.8	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.9	169.3	69.4	93.4	0	0	0	112.4	L360 T366 T367 G368 C369 A370 V386 I390 C407 V408	L360-W362 HydrophobicContact CD2-CE3 3.81Å; L360-W362 HydrophobicContact CD2-CZ3 4.26Å; W362-T366 PolarHBondContact NE1-O 2.99Å; W362-T366 PolarHBondContact NE1-OG1 2.84Å; W362-T367 WeakPolarHBondContact O-CA 3.43Å; W362-G368 PolarHBondContact N-O 3.35Å; W362-G368 PolarHBondContact O-N 3.35Å; W362-G368 VanDerWaalsContact O-N 3.1Å; W362-C369 VanDerWaalsContact CZ3-CA 3.46Å; W362-C369 VanDerWaalsContact CZ3-N 3.33Å; W362-A370 HydrophobicContact CZ3-CB 4.07Å; W362-V386 HydrophobicContact CZ3-CG1 3.98Å; W362-I390 HydrophobicContact CB-CG1 3.87Å; W362-I390 HydrophobicContact CB-CG2 4.42Å; W362-I390 HydrophobicContact CD2-CB 4.49Å; W362-I390 HydrophobicContact CD2-CG1 3.47Å; W362-I390 VanDerWaalsContact CD2-CG1 3.47Å; W362-I390 HydrophobicContact CE3-CD1 4.26Å; W362-I390 HydrophobicContact CE3-CG1 3.68Å; W362-I390 HydrophobicContact CG-CB 4.27Å; W362-I390 HydrophobicContact CG-CG1 3.56Å; W362-I390 HydrophobicContact CZ3-CG1 4.38Å; W362-C407 WeakPolarHBondContact CA-O 3.26Å; W362-V408 HydrophobicContact CB-CG2 4.39Å
363	D	90.4	Very high	93.3	Very high	95 Å²	95	31.5 Å²	31.5	51%	0.508	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	99.1	171	-162.3	31.9	0	0	0	108.1	F361 T367 C407	F361-D363 HydrophobicContact CE1-CB 3.92Å; F361-D363 HydrophobicContact CZ-CB 4Å; D363-T367 PolarHBondContact OD1-OG1 3.05Å; D363-C407 PolarHBondContact N-O 3.24Å; D363-C407 WeakPolarHBondContact O-CB 3.43Å; D363-C407 PolarHBondContact O-SG 2.9Å
364	S	84.6	Confident	93.4	Very high	37 Å²	37	29.8 Å²	29.8	26%	0.259	18%	0.184	S	C	.	.	S	Bend	trans	-130.9	-133.2	-175	73.9	0	0	0	0	110.5	T366 I390 C407	S364-T366 PolarHBondContact N-O 3.14Å; S364-T366 PolarHBondContact OG-N 3.29Å; S364-T366 PolarHBondContact OG-O 3.08Å; S364-I390 VanDerWaalsContact CB-O 3.27Å; S364-I390 WeakPolarHBondContact CB-O 3.48Å; S364-I390 PolarHBondContact OG-O 3.21Å; S364-C407 VanDerWaalsContact CB-SG 3.59Å
365	A	78.3	Confident	93.3	Very high	96 Å²	96	29.1 Å²	29.1	79%	0.793	18%	0.179	S	C	*	.	S	Bend	trans	-69.4	-22.8	163.4	0	0	0	0	0	112.1
366	T	82.3	Confident	93.2	Very high	64 Å²	64	28 Å²	28	39%	0.393	17%	0.171	S	C	.	.	S	Bend	trans	-120.7	153.9	166.4	73.5	0	0	0	0	109.2	W362 S364 Y389	W362-T366 PolarHBondContact NE1-O 2.99Å; W362-T366 PolarHBondContact NE1-OG1 2.84Å; S364-T366 PolarHBondContact N-O 3.14Å; S364-T366 PolarHBondContact OG-N 3.29Å; S364-T366 PolarHBondContact OG-O 3.08Å; T366-Y389 PolarHBondContact OG1-O 2.97Å
367	T	90.2	Very high	93	Very high	93 Å²	93	29.7 Å²	29.7	57%	0.571	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.1	169.6	-46.7	0	0	0	0	107.6	F361 W362 D363	F361-T367 HydrophobicContact CE2-CG2 3.58Å; F361-T367 HydrophobicContact CZ-CG2 3.67Å; W362-T367 WeakPolarHBondContact O-CA 3.43Å; D363-T367 PolarHBondContact OD1-OG1 3.05Å
368	G	91.4	Very high	92.9	Very high	19 Å²	19	31.6 Å²	31.6	20%	0.196	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-178.7	-175.9	0	0	0	0	0	114	F361 W362	F361-G368 VanDerWaalsContact CD2-O 3.26Å; F361-G368 WeakPolarHBondContact CD2-O 3.31Å; W362-G368 PolarHBondContact N-O 3.35Å; W362-G368 PolarHBondContact O-N 3.35Å; W362-G368 VanDerWaalsContact O-N 3.1Å
369	C	93.5	Very high	92.9	Very high	32 Å²	32	33 Å²	33	22%	0.216	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.5	179.7	62.2	0	0	0	0	112.5	Y359 L360 W362 G477	Y359-C369 HydrophobicContact CD2-CB 4.43Å; Y359-C369 HydrophobicContact CE2-CB 3.48Å; Y359-C369 VanDerWaalsContact CE2-CB 3.48Å; Y359-C369 VanDerWaalsContact OH-CB 3.3Å; Y359-C369 WeakPolarHBondContact OH-CB 3.24Å; L360-C369 CarbonylContact O-C 3.5Å; L360-C369 WeakPolarHBondContact O-CA 3.46Å; L360-C369 WeakPolarHBondContact O-CB 3.31Å; W362-C369 VanDerWaalsContact CZ3-CA 3.46Å; W362-C369 VanDerWaalsContact CZ3-N 3.33Å; C369-G477 WeakPolarHBondContact SG-CA 3.2Å
370	A	95.8	Very high	93.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	-179.2	177.3	0	0	0	0	0	109.5	L360 W362 V386 G539	L360-A370 HydrophobicContact CB-CB 4.49Å; L360-A370 PolarHBondContact N-O 2.55Å; L360-A370 PolarHBondContact O-N 2.96Å; W362-A370 HydrophobicContact CZ3-CB 4.07Å; A370-V386 HydrophobicContact CB-CB 4.28Å; A370-V386 HydrophobicContact CB-CG1 3.54Å; A370-V386 HydrophobicContact CB-CG2 3.64Å; A370-G539 CarbonylContact C-O 3.24Å; A370-G539 VanDerWaalsContact CA-O 3.29Å; A370-G539 WeakPolarHBondContact CA-O 3.43Å
371	T	97.7	Very high	93.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	148	170.7	-55.5	0	0	0	0	109.8	V357 T382 H474 G539 S541 G542 S543	V357-T371 HydrophobicContact CG1-CG2 3.62Å; T371-T382 PolarHBondContact O-OG1 3.29Å; T371-H474 PolarHBondContact OG1-N 3.35Å; T371-G539 PolarHBondContact N-O 3.35Å; T371-G539 PolarHBondContact OG1-O 2.78Å; T371-S541 CarbonylContact C-O 3.48Å; T371-S541 WeakPolarHBondContact CA-O 3.26Å; T371-S541 PolarHBondContact N-O 2.9Å; T371-G542 WeakPolarHBondContact O-CA 3.33Å; T371-S543 PolarHBondContact OG1-OG 3.45Å
372	C	98.2	Very high	93.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	173.3	166.2	66.2	0	0	0	0	110.3	G358 L360 I380 L381 V410	G358-C372 PolarHBondContact N-O 2.79Å; G358-C372 PolarHBondContact O-N 3.31Å; L360-C372 HydrophobicContact CB-CB 4.3Å; L360-C372 HydrophobicContact CD1-CB 3.99Å; C372-I380 HydrophobicContact CB-CD1 4.09Å; C372-L381 CarbonylContact C-O 3.13Å; C372-L381 WeakPolarHBondContact CA-O 3.22Å; C372-L381 VanDerWaalsContact CB-O 3.23Å; C372-L381 WeakPolarHBondContact CB-O 3.29Å; C372-V410 VanDerWaalsContact SG-CG1 3.55Å
373	F	98.3	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.8	171.8	61.6	-88.4	0	0	0	113	S356 F375 I380 L381 L456 G542 P544 L552 M555 M578	S356-F373 VanDerWaalsContact O-CA 3.25Å; S356-F373 WeakPolarHBondContact O-CA 3.45Å; F373-F375 HydrophobicContact CE2-CB 4.4Å; F373-F375 HydrophobicContact CE2-CD2 4.39Å; F373-F375 PolarHBondContact O-N 3.38Å; F373-F375 VanDerWaalsContact O-N 3.07Å; F373-I380 CarbonylContact O-C 3.55Å; F373-I380 WeakPolarHBondContact O-CA 3.44Å; F373-I380 WeakPolarHBondContact O-CB 3.19Å; F373-L381 HydrophobicContact CD1-CB 4.27Å; F373-L381 HydrophobicContact CD2-CB 4.49Å; F373-L381 HydrophobicContact CE1-CB 3.73Å; F373-L381 HydrophobicContact CE1-CD1 4.49Å; F373-L381 HydrophobicContact CE2-CB 3.98Å; F373-L381 HydrophobicContact CE2-CD1 3.9Å; F373-L381 HydrophobicContact CZ-CB 3.59Å; F373-L381 HydrophobicContact CZ-CD1 3.6Å; F373-L381 HydrophobicContact CZ-CG 4.24Å; F373-L381 PolarHBondContact N-O 2.83Å; F373-L381 VanDerWaalsContact N-O 3.08Å; F373-L381 PolarHBondContact O-N 2.59Å; F373-L456 HydrophobicContact CB-CD1 3.66Å; F373-L456 HydrophobicContact CB-CG 4.45Å; F373-L456 HydrophobicContact CD2-CB 4.02Å; F373-L456 HydrophobicContact CD2-CD1 3.64Å; F373-L456 HydrophobicContact CD2-CG 4.13Å; F373-L456 HydrophobicContact CE2-CB 4.45Å; F373-L456 HydrophobicContact CE2-CD1 4.49Å; F373-L456 HydrophobicContact CG-CD1 3.84Å; F373-G542 WeakPolarHBondContact CD1-O 3.43Å; F373-P544 HydrophobicContact CB-CB 4.49Å; F373-P544 HydrophobicContact CB-CG 3.96Å; F373-P544 HydrophobicContact CD1-CB 3.84Å; F373-P544 HydrophobicContact CD1-CG 3.97Å; F373-P544 HydrophobicContact CE1-CB 4.08Å; F373-P544 HydrophobicContact CG-CB 4.05Å; F373-P544 HydrophobicContact CG-CG 4.04Å; F373-L552 HydrophobicContact CE2-CD2 3.77Å; F373-L552 HydrophobicContact CZ-CD2 4.17Å; F373-M555 HydrophobicContact CE1-CB 4.35Å; F373-M555 HydrophobicContact CE1-CG 4.01Å; F373-M555 HydrophobicContact CE1-SD 3.96Å; F373-M578 HydrophobicContact CZ-SD 4.22Å
374	V	97.6	Very high	93.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	109.2	172.4	-171.9	0	0	0	0	109.1	S356 G377 F412 V452 P453 E455 L456	S356-V374 PolarHBondContact O-N 3.29Å; V374-G377 WeakPolarHBondContact CG1-O 3.19Å; V374-F412 HydrophobicContact CG2-CD1 4.32Å; V374-F412 HydrophobicContact CG2-CE1 3.55Å; V374-F412 HydrophobicContact CG2-CE2 4.27Å; V374-F412 HydrophobicContact CG2-CZ 3.52Å; V374-V452 HydrophobicContact CG1-CG1 4.03Å; V374-V452 HydrophobicContact CG2-CG1 3.86Å; V374-P453 HydrophobicContact CG2-CB 4.17Å; V374-P453 HydrophobicContact CG2-CG 4.39Å; V374-E455 HydrophobicContact CG1-CB 4.27Å; V374-L456 WeakPolarHBondContact O-CB 3.1Å; V374-L456 PolarHBondContact O-N 3.25Å
375	F	95.5	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-59	-178	176.8	-141.1	0	0	0	110.4	F373 F379 L381 Y457 M578 L582 I585 W592 F597	F373-F375 HydrophobicContact CE2-CB 4.4Å; F373-F375 HydrophobicContact CE2-CD2 4.39Å; F373-F375 PolarHBondContact O-N 3.38Å; F373-F375 VanDerWaalsContact O-N 3.07Å; F375-F379 WeakPolarHBondContact CA-O 3.36Å; F375-F379 WeakPolarHBondContact CB-O 3.26Å; F375-F379 PolarHBondContact N-O 2.82Å; F375-L381 HydrophobicContact CB-CB 4.3Å; F375-L381 HydrophobicContact CB-CD1 3.96Å; F375-L381 HydrophobicContact CB-CG 3.86Å; F375-L381 HydrophobicContact CD1-CD1 3.81Å; F375-L381 HydrophobicContact CD1-CG 3.87Å; F375-L381 HydrophobicContact CD2-CD1 3.46Å; F375-L381 VanDerWaalsContact CD2-CD1 3.46Å; F375-L381 HydrophobicContact CD2-CG 4.27Å; F375-L381 HydrophobicContact CE1-CD1 4.09Å; F375-L381 HydrophobicContact CE1-CG 4.45Å; F375-L381 HydrophobicContact CE2-CD1 3.79Å; F375-L381 HydrophobicContact CG-CD1 3.47Å; F375-L381 VanDerWaalsContact CG-CD1 3.47Å; F375-L381 HydrophobicContact CG-CG 3.76Å; F375-L381 HydrophobicContact CZ-CD1 4.08Å; F375-Y457 HydrophobicContact CE2-CD2 4.03Å; F375-Y457 HydrophobicContact CE2-CG 4.17Å; F375-Y457 WeakPolarHBondContact O-CB 3.19Å; F375-Y457 PolarHBondContact O-N 2.95Å; F375-M578 HydrophobicContact CD2-CE 4.28Å; F375-M578 HydrophobicContact CE2-CE 3.72Å; F375-M578 HydrophobicContact CZ-CE 4.43Å; F375-L582 HydrophobicContact CE2-CD2 4.15Å; F375-L582 HydrophobicContact CZ-CD2 3.73Å; F375-I585 HydrophobicContact CE1-CD1 4.14Å; F375-I585 HydrophobicContact CZ-CD1 4.36Å; F375-W592 HydrophobicContact CE1-CH2 4.33Å; F375-F597 HydrophobicContact CD1-CZ 4.44Å; F375-F597 HydrophobicContact CE1-CE2 4.39Å; F375-F597 AromaticContact CE1-CZ 3.66Å; F375-F597 HydrophobicContact CE1-CZ 3.66Å; F375-F597 HydrophobicContact CE2-CZ 4.39Å; F375-F597 HydrophobicContact CZ-CE1 4.25Å; F375-F597 AromaticContact CZ-CZ 3.63Å; F375-F597 HydrophobicContact CZ-CZ 3.63Å
376	K	93.1	Very high	95.1	Very high	45 Å²	45	19 Å²	19	20%	0.196	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	129.5	175	-174.6	154.4	-164.4	-154.1	0	110.9	L378 F379 E455 Y457 V596 F597	K376-L378 PolarHBondContact O-N 3.32Å; K376-F379 PolarHBondContact N-O 2.81Å; K376-F379 WeakPolarHBondContact O-CB 3.32Å; K376-F379 WeakPolarHBondContact O-CD2 3.48Å; K376-F379 PolarHBondContact O-N 2.87Å; K376-E455 WeakPolarHBondContact CE-OE1 3.41Å; K376-E455 WeakPolarHBondContact CG-OE2 3.36Å; K376-Y457 HydrophobicContact CD-CD1 4.47Å; K376-V596 HydrophobicContact CB-CG1 4.3Å; K376-V596 HydrophobicContact CD-CG1 4.08Å; K376-V596 WeakPolarHBondContact CD-O 3.38Å; K376-V596 WeakPolarHBondContact CE-O 3.5Å; K376-V596 HydrophobicContact CG-CG1 4.09Å; K376-V596 PolarHBondContact NZ-O 2.89Å; K376-F597 HydrophobicContact CB-CE1 4.32Å; K376-F597 HydrophobicContact CB-CZ 4.26Å; K376-F597 HydrophobicContact CD-CD1 3.71Å; K376-F597 HydrophobicContact CD-CE1 3.58Å; K376-F597 HydrophobicContact CD-CG 4.35Å; K376-F597 HydrophobicContact CD-CZ 4.12Å
377	G	92.6	Very high	95.7	Very high	39 Å²	39	16 Å²	16	40%	0.402	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-122	-175.9	0	0	0	0	0	113.3	V374 F379 E455	V374-G377 WeakPolarHBondContact CG1-O 3.19Å; G377-F379 VanDerWaalsContact C-N 3.35Å; G377-E455 PolarHBondContact N-OE2 3.43Å
378	L	94.9	Very high	95.9	Very high	40 Å²	40	14.1 Å²	14.1	21%	0.209	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.9	176	-59.8	-179.9	0	0	0	114	K376 K444 L445 E447 V452	K376-L378 PolarHBondContact O-N 3.32Å; L378-K444 HydrophobicContact CB-CG 4.3Å; L378-L445 HydrophobicContact CB-CB 4.5Å; L378-L445 WeakPolarHBondContact O-CB 3.35Å; L378-L445 WeakPolarHBondContact O-CG 3.47Å; L378-L445 PolarHBondContact O-N 3.41Å; L378-E447 HydrophobicContact CD1-CG 3.57Å; L378-V452 HydrophobicContact CD2-CG2 3.73Å
379	F	97.1	Very high	95.9	Very high	28 Å²	28	17.7 Å²	17.7	12%	0.123	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.5	-177.8	-60.7	-77.7	0	0	0	111.1	F375 K376 G377 W430 V442 L443 K444 W592 V596	F375-F379 WeakPolarHBondContact CA-O 3.36Å; F375-F379 WeakPolarHBondContact CB-O 3.26Å; F375-F379 PolarHBondContact N-O 2.82Å; K376-F379 PolarHBondContact N-O 2.81Å; K376-F379 WeakPolarHBondContact O-CB 3.32Å; K376-F379 WeakPolarHBondContact O-CD2 3.48Å; K376-F379 PolarHBondContact O-N 2.87Å; G377-F379 VanDerWaalsContact C-N 3.35Å; F379-W430 HydrophobicContact CD1-CH2 4.22Å; F379-W430 HydrophobicContact CD1-CZ3 4.08Å; F379-W430 AromaticContact CE1-CH2 3.88Å; F379-W430 HydrophobicContact CE1-CH2 3.88Å; F379-W430 HydrophobicContact CE1-CZ2 4.4Å; F379-W430 AromaticContact CE1-CZ3 3.99Å; F379-W430 HydrophobicContact CE1-CZ3 3.99Å; F379-V442 HydrophobicContact CB-CG1 3.89Å; F379-V442 HydrophobicContact CD1-CG1 3.88Å; F379-V442 HydrophobicContact CG-CG1 4.25Å; F379-L443 CarbonylContact C-O 3.27Å; F379-L443 WeakPolarHBondContact CA-O 3.45Å; F379-K444 HydrophobicContact CD1-CB 3.91Å; F379-K444 HydrophobicContact CD1-CD 4.4Å; F379-K444 HydrophobicContact CD1-CG 4.14Å; F379-K444 HydrophobicContact CE1-CB 3.91Å; F379-K444 HydrophobicContact CE1-CD 3.69Å; F379-K444 HydrophobicContact CE1-CG 3.94Å; F379-K444 HydrophobicContact CZ-CD 3.99Å; F379-W592 HydrophobicContact CB-CZ2 4.46Å; F379-W592 AromaticContact CD1-CZ2 3.73Å; F379-W592 HydrophobicContact CD1-CZ2 3.73Å; F379-W592 AromaticContact CD2-CZ2 3.91Å; F379-W592 HydrophobicContact CD2-CZ2 3.91Å; F379-W592 AromaticContact CE1-CZ2 3.8Å; F379-W592 HydrophobicContact CE1-CZ2 3.8Å; F379-W592 AromaticContact CE1-NE1 3.6Å; F379-W592 HydrophobicContact CE2-CZ2 4Å; F379-W592 AromaticContact CG-CZ2 3.78Å; F379-W592 HydrophobicContact CG-CZ2 3.78Å; F379-W592 AromaticContact CZ-CE2 3.97Å; F379-W592 AromaticContact CZ-CZ2 3.94Å; F379-W592 HydrophobicContact CZ-CZ2 3.94Å; F379-W592 AromaticContact CZ-NE1 3.4Å; F379-V596 HydrophobicContact CD2-CG1 4.03Å; F379-V596 HydrophobicContact CD2-CG2 4.28Å; F379-V596 HydrophobicContact CE2-CG1 4.11Å; F379-V596 HydrophobicContact CE2-CG2 3.57Å; F379-V596 HydrophobicContact CZ-CG2 4.1Å
380	I	98.1	Very high	95.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152	174.6	61.6	165.8	0	0	0	110.6	C372 F373 V410 F412 V442 L443 L445	C372-I380 HydrophobicContact CB-CD1 4.09Å; F373-I380 CarbonylContact O-C 3.55Å; F373-I380 WeakPolarHBondContact O-CA 3.44Å; F373-I380 WeakPolarHBondContact O-CB 3.19Å; I380-V410 HydrophobicContact CD1-CG2 3.9Å; I380-F412 HydrophobicContact CG2-CZ 4.12Å; I380-V442 WeakPolarHBondContact O-CA 3.19Å; I380-L443 HydrophobicContact CD1-CB 4.06Å; I380-L443 HydrophobicContact CD1-CD1 4.37Å; I380-L443 HydrophobicContact CG1-CB 3.74Å; I380-L443 WeakPolarHBondContact CG1-O 3.41Å; I380-L443 PolarHBondContact N-O 3.48Å; I380-L443 PolarHBondContact O-N 3.15Å; I380-L445 HydrophobicContact CD1-CD2 4.16Å; I380-L445 HydrophobicContact CG2-CD1 3.8Å; I380-L445 HydrophobicContact CG2-CD2 4.13Å; I380-L445 HydrophobicContact CG2-CG 3.87Å
381	L	98.3	Very high	95.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.4	170.6	-86.4	170.3	0	0	0	111.2	C372 F373 F375 Y440 V442 M555 M578	C372-L381 CarbonylContact C-O 3.13Å; C372-L381 WeakPolarHBondContact CA-O 3.22Å; C372-L381 VanDerWaalsContact CB-O 3.23Å; C372-L381 WeakPolarHBondContact CB-O 3.29Å; F373-L381 HydrophobicContact CD1-CB 4.27Å; F373-L381 HydrophobicContact CD2-CB 4.49Å; F373-L381 HydrophobicContact CE1-CB 3.73Å; F373-L381 HydrophobicContact CE1-CD1 4.49Å; F373-L381 HydrophobicContact CE2-CB 3.98Å; F373-L381 HydrophobicContact CE2-CD1 3.9Å; F373-L381 HydrophobicContact CZ-CB 3.59Å; F373-L381 HydrophobicContact CZ-CD1 3.6Å; F373-L381 HydrophobicContact CZ-CG 4.24Å; F373-L381 PolarHBondContact N-O 2.83Å; F373-L381 VanDerWaalsContact N-O 3.08Å; F373-L381 PolarHBondContact O-N 2.59Å; F375-L381 HydrophobicContact CB-CB 4.3Å; F375-L381 HydrophobicContact CB-CD1 3.96Å; F375-L381 HydrophobicContact CB-CG 3.86Å; F375-L381 HydrophobicContact CD1-CD1 3.81Å; F375-L381 HydrophobicContact CD1-CG 3.87Å; F375-L381 HydrophobicContact CD2-CD1 3.46Å; F375-L381 VanDerWaalsContact CD2-CD1 3.46Å; F375-L381 HydrophobicContact CD2-CG 4.27Å; F375-L381 HydrophobicContact CE1-CD1 4.09Å; F375-L381 HydrophobicContact CE1-CG 4.45Å; F375-L381 HydrophobicContact CE2-CD1 3.79Å; F375-L381 HydrophobicContact CG-CD1 3.47Å; F375-L381 VanDerWaalsContact CG-CD1 3.47Å; F375-L381 HydrophobicContact CG-CG 3.76Å; F375-L381 HydrophobicContact CZ-CD1 4.08Å; L381-Y440 HydrophobicContact CD2-CD2 4.03Å; L381-V442 HydrophobicContact CD2-CG2 3.74Å; L381-M555 HydrophobicContact CB-SD 4.23Å; L381-M578 HydrophobicContact CD1-CE 3.74Å; L381-M578 HydrophobicContact CD1-SD 4.43Å
382	T	98.4	Very high	95.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	-179.5	165.4	-167.7	0	0	0	0	108.9	L360 T371 I387 A441 L443 M555	L360-T382 HydrophobicContact CD1-CG2 3.99Å; T371-T382 PolarHBondContact O-OG1 3.29Å; T382-I387 HydrophobicContact CG2-CD1 4.23Å; T382-A441 HydrophobicContact CG2-CB 4.4Å; T382-A441 PolarHBondContact N-O 2.87Å; T382-A441 VanDerWaalsContact N-O 3.09Å; T382-A441 PolarHBondContact O-N 3.22Å; T382-L443 HydrophobicContact CG2-CD1 4.43Å; T382-M555 WeakPolarHBondContact O-CE 3.32Å
383	C	98	Very high	94.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.			trans	-74.6	151.8	178.2	-70.9	0	0	0	0	112.9	H385 V386 D439 G542 H556	C383-H385 WeakPolarHBondContact CB-CE1 3.36Å; C383-H385 WeakPolarHBondContact CB-ND1 3.39Å; C383-V386 HydrophobicContact CB-CG2 3.98Å; C383-V386 WeakPolarHBondContact O-CB 3.44Å; C383-V386 PolarHBondContact O-N 2.9Å; C383-D439 WeakPolarHBondContact CA-O 3.33Å; C383-G542 PolarHBondContact SG-N 2.9Å; C383-H556 PolarHBondContact SG-O 2.76Å; C383-H556 VanDerWaalsContact SG-O 3.4Å
384	R	96.9	Very high	94.3	Very high	6 Å²	6	28.8 Å²	28.8	2%	0.023	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-38.2	175.8	170.6	64	-169.9	78.8	20.6	111.3	V386 I387 D388 W400 H434 N435 E436 D439	R384-V386 PolarHBondContact O-N 2.91Å; R384-I387 VanDerWaalsContact O-CB 3.31Å; R384-I387 WeakPolarHBondContact O-CB 3.35Å; R384-I387 PolarHBondContact O-N 2.56Å; R384-D388 IonicContact CZ-OD1 2.74Å; R384-D388 VanDerWaalsContact CZ-OD1 3.23Å; R384-D388 IonicContact CZ-OD2 3.89Å; R384-D388 IonicContact NH1-OD1 2.8Å; R384-D388 PolarHBondContact NH1-OD1 3.21Å; R384-D388 IonicContact NH1-OD2 2.84Å; R384-D388 PolarHBondContact NH1-OD2 2.85Å; R384-D388 IonicContact NH2-OD1 3.23Å; R384-D388 PolarHBondContact NH2-OD1 3.26Å; R384-D388 IonicContact NH2-OD2 3.4Å; R384-D388 PolarHBondContact O-N 2.9Å; R384-W400 VanDerWaalsContact NH2-CH2 3.31Å; R384-H434 PolarHBondContact NE-ND1 3.05Å; R384-N435 WeakPolarHBondContact CB-O 3.41Å; R384-E436 HydrophobicContact CG-CG 3.76Å; R384-E436 IonicContact CZ-OE1 2.66Å; R384-E436 IonicContact NE-OE1 2.62Å; R384-E436 PolarHBondContact NE-OE1 3.48Å; R384-E436 IonicContact NH2-OE1 2.73Å; R384-E436 PolarHBondContact NH2-OE1 3.33Å; R384-D439 WeakPolarHBondContact CA-OD1 3.48Å; R384-D439 WeakPolarHBondContact CB-OD1 3.39Å; R384-D439 PolarHBondContact N-O 2.88Å; R384-D439 PolarHBondContact N-OD1 3.44Å
385	H	93.9	Very high	94.1	Very high	30 Å²	30	31.9 Å²	31.9	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-25.9	176.9	72.4	-105.7	0	0	0	113.5	C383 I387 D388 Y389 D439 S541 V557	C383-H385 WeakPolarHBondContact CB-CE1 3.36Å; C383-H385 WeakPolarHBondContact CB-ND1 3.39Å; H385-I387 PolarHBondContact O-N 3.05Å; H385-D388 WeakPolarHBondContact CA-OD2 3.34Å; H385-D388 WeakPolarHBondContact O-CB 3.47Å; H385-D388 PolarHBondContact O-N 3.25Å; H385-Y389 AromaticContact CD2-CE2 3.58Å; H385-Y389 PolarHBondContact O-N 3.12Å; H385-Y389 VanDerWaalsContact O-N 3.13Å; H385-D439 IonicContact CE1-OD2 3.93Å; H385-D439 IonicContact CG-OD1 3.17Å; H385-D439 IonicContact CG-OD2 2.85Å; H385-D439 PolarHBondContact N-OD1 3.32Å; H385-D439 IonicContact ND1-OD1 3.67Å; H385-D439 PolarHBondContact ND1-OD1 3.14Å; H385-D439 IonicContact ND1-OD2 2.64Å; H385-D439 PolarHBondContact ND1-OD2 2.67Å; H385-S541 PolarHBondContact CE1-OG 3.05Å; H385-S541 WeakPolarHBondContact NE2-CB 3.27Å; H385-S541 PolarHBondContact NE2-OG 3.27Å; H385-V557 PolarHBondContact CE1-O 2.85Å
386	V	94.9	Very high	93.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-35.5	173.7	172.5	0	0	0	0	109.9	L360 W362 A370 C383 R384 Y389 I390	L360-V386 HydrophobicContact CD2-CG1 4.31Å; W362-V386 HydrophobicContact CZ3-CG1 3.98Å; A370-V386 HydrophobicContact CB-CB 4.28Å; A370-V386 HydrophobicContact CB-CG1 3.54Å; A370-V386 HydrophobicContact CB-CG2 3.64Å; C383-V386 HydrophobicContact CB-CG2 3.98Å; C383-V386 WeakPolarHBondContact O-CB 3.44Å; C383-V386 PolarHBondContact O-N 2.9Å; R384-V386 PolarHBondContact O-N 2.91Å; V386-Y389 PolarHBondContact O-N 3.26Å; V386-I390 HydrophobicContact CG1-CD1 3.86Å; V386-I390 WeakPolarHBondContact O-CD1 3.34Å; V386-I390 VanDerWaalsContact O-CG1 3.25Å; V386-I390 WeakPolarHBondContact O-CG1 3.41Å; V386-I390 PolarHBondContact O-N 2.83Å
387	I	95.6	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-38	174.6	-48.3	-54.8	0	0	0	111.4	T382 R384 H385 Y389 I390 V391 W400 I404 F431 A441 L443	T382-I387 HydrophobicContact CG2-CD1 4.23Å; R384-I387 VanDerWaalsContact O-CB 3.31Å; R384-I387 WeakPolarHBondContact O-CB 3.35Å; R384-I387 PolarHBondContact O-N 2.56Å; H385-I387 PolarHBondContact O-N 3.05Å; I387-Y389 VanDerWaalsContact C-N 3.3Å; I387-Y389 PolarHBondContact O-N 3.3Å; I387-I390 HydrophobicContact CD1-CD1 4.01Å; I387-I390 PolarHBondContact O-N 2.98Å; I387-V391 HydrophobicContact CG2-CG2 4.17Å; I387-V391 WeakPolarHBondContact O-CB 3.1Å; I387-V391 WeakPolarHBondContact O-CG2 3.41Å; I387-V391 PolarHBondContact O-N 2.63Å; I387-W400 HydrophobicContact CG2-CE3 4.21Å; I387-W400 HydrophobicContact CG2-CZ3 4.48Å; I387-I404 HydrophobicContact CG2-CD1 3.64Å; I387-I404 HydrophobicContact CG2-CG1 4.25Å; I387-F431 HydrophobicContact CB-CE2 4.44Å; I387-F431 HydrophobicContact CB-CZ 4.35Å; I387-F431 HydrophobicContact CG1-CE2 3.88Å; I387-F431 HydrophobicContact CG1-CZ 4.23Å; I387-F431 HydrophobicContact CG2-CE1 4.24Å; I387-F431 HydrophobicContact CG2-CE2 4.06Å; I387-F431 HydrophobicContact CG2-CZ 3.9Å; I387-A441 HydrophobicContact CD1-CB 4.02Å; I387-A441 HydrophobicContact CG1-CB 3.53Å; I387-L443 HydrophobicContact CD1-CD1 4.04Å; I387-L443 HydrophobicContact CD1-CD2 4.03Å; I387-L443 HydrophobicContact CD1-CG 4.33Å
388	D	93.3	Very high	93.9	Very high	55 Å²	55	41.7 Å²	41.7	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-38.7	174	-62.1	-52.4	0	0	0	111.5	R384 H385 G392	R384-D388 IonicContact CZ-OD1 2.74Å; R384-D388 VanDerWaalsContact CZ-OD1 3.23Å; R384-D388 IonicContact CZ-OD2 3.89Å; R384-D388 IonicContact NH1-OD1 2.8Å; R384-D388 PolarHBondContact NH1-OD1 3.21Å; R384-D388 IonicContact NH1-OD2 2.84Å; R384-D388 PolarHBondContact NH1-OD2 2.85Å; R384-D388 IonicContact NH2-OD1 3.23Å; R384-D388 PolarHBondContact NH2-OD1 3.26Å; R384-D388 IonicContact NH2-OD2 3.4Å; R384-D388 PolarHBondContact O-N 2.9Å; H385-D388 WeakPolarHBondContact CA-OD2 3.34Å; H385-D388 WeakPolarHBondContact O-CB 3.47Å; H385-D388 PolarHBondContact O-N 3.25Å; D388-G392 WeakPolarHBondContact O-CA 3.22Å; D388-G392 PolarHBondContact O-N 3.37Å
389	Y	92	Very high	93.9	Very high	94 Å²	94	45 Å²	45	37%	0.369	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-36.8	175.3	-59	-30.2	0	0	0	113.6	T366 H385 V386 I387	T366-Y389 PolarHBondContact OG1-O 2.97Å; H385-Y389 AromaticContact CD2-CE2 3.58Å; H385-Y389 PolarHBondContact O-N 3.12Å; H385-Y389 VanDerWaalsContact O-N 3.13Å; V386-Y389 PolarHBondContact O-N 3.26Å; I387-Y389 VanDerWaalsContact C-N 3.3Å; I387-Y389 PolarHBondContact O-N 3.3Å
390	I	94.1	Very high	93.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-44.2	175.3	-70.8	158.1	0	0	0	110.8	L360 W362 S364 V386 I387 I404 V408	L360-I390 HydrophobicContact CD2-CD1 4.07Å; W362-I390 HydrophobicContact CB-CG1 3.87Å; W362-I390 HydrophobicContact CB-CG2 4.42Å; W362-I390 HydrophobicContact CD2-CB 4.49Å; W362-I390 HydrophobicContact CD2-CG1 3.47Å; W362-I390 VanDerWaalsContact CD2-CG1 3.47Å; W362-I390 HydrophobicContact CE3-CD1 4.26Å; W362-I390 HydrophobicContact CE3-CG1 3.68Å; W362-I390 HydrophobicContact CG-CB 4.27Å; W362-I390 HydrophobicContact CG-CG1 3.56Å; W362-I390 HydrophobicContact CZ3-CG1 4.38Å; S364-I390 VanDerWaalsContact CB-O 3.27Å; S364-I390 WeakPolarHBondContact CB-O 3.48Å; S364-I390 PolarHBondContact OG-O 3.21Å; V386-I390 HydrophobicContact CG1-CD1 3.86Å; V386-I390 WeakPolarHBondContact O-CD1 3.34Å; V386-I390 VanDerWaalsContact O-CG1 3.25Å; V386-I390 WeakPolarHBondContact O-CG1 3.41Å; V386-I390 PolarHBondContact O-N 2.83Å; I387-I390 HydrophobicContact CD1-CD1 4.01Å; I387-I390 PolarHBondContact O-N 2.98Å; I390-I404 HydrophobicContact CG2-CG1 4.23Å; I390-V408 HydrophobicContact CD1-CG2 3.73Å; I390-V408 HydrophobicContact CG1-CG2 4.18Å; I390-V408 HydrophobicContact CG2-CG2 3.76Å
391	V	93.4	Very high	93.7	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-84	-43.1	-173.6	171.2	0	0	0	0	112.2	I387 I395 W400 I403 I404	I387-V391 HydrophobicContact CG2-CG2 4.17Å; I387-V391 WeakPolarHBondContact O-CB 3.1Å; I387-V391 WeakPolarHBondContact O-CG2 3.41Å; I387-V391 PolarHBondContact O-N 2.63Å; V391-I395 HydrophobicContact CG1-CB 3.64Å; V391-I395 HydrophobicContact CG1-CG1 4.05Å; V391-I395 HydrophobicContact CG1-CG2 3.82Å; V391-I395 WeakPolarHBondContact O-CG1 3.22Å; V391-W400 HydrophobicContact CB-CD2 4.5Å; V391-W400 HydrophobicContact CG1-CD2 4.04Å; V391-W400 HydrophobicContact CG1-CG 3.88Å; V391-W400 HydrophobicContact CG2-CB 4.07Å; V391-W400 HydrophobicContact CG2-CD2 4.14Å; V391-W400 HydrophobicContact CG2-CE3 4.44Å; V391-W400 HydrophobicContact CG2-CG 3.98Å; V391-I403 HydrophobicContact CG1-CD1 4.35Å; V391-I404 HydrophobicContact CG2-CG1 4.28Å
392	G	89.1	Confident	93.6	Very high	21 Å²	21	48.6 Å²	48.6	22%	0.216	29%	0.288	C	S	.	.			trans	88.2	157.9	-176.2	0	0	0	0	0	114.4	D388 I395	D388-G392 WeakPolarHBondContact O-CA 3.22Å; D388-G392 PolarHBondContact O-N 3.37Å; G392-I395 WeakPolarHBondContact O-CG1 3.45Å
393	D	87.3	Confident	93.4	Very high	151 Å²	151	50.4 Å²	50.4	81%	0.807	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	141.8	-176.6	-66.8	-43.7	0	0	0	113.2	I395	D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 2.84Å
394	G	86.9	Confident	93.3	Very high	87 Å²	87	50.4 Å²	50.4	90%	0.897	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	6.6	171.1	0	0	0	0	0	115.7
395	I	91.9	Very high	93.3	Very high	66 Å²	66	50.9 Å²	50.9	34%	0.338	30%	0.304	S	S	.	.			trans	-81.1	132.6	174.6	-55.9	-57.6	0	0	0	110.9	V391 G392 D393 K399 W400 I403	V391-I395 HydrophobicContact CG1-CB 3.64Å; V391-I395 HydrophobicContact CG1-CG1 4.05Å; V391-I395 HydrophobicContact CG1-CG2 3.82Å; V391-I395 WeakPolarHBondContact O-CG1 3.22Å; G392-I395 WeakPolarHBondContact O-CG1 3.45Å; D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 2.84Å; I395-K399 HydrophobicContact CG2-CB 4.11Å; I395-W400 PolarHBondContact O-NE1 3.27Å; I395-I403 HydrophobicContact CG2-CD1 3.77Å
396	E	92.6	Very high	93.4	Very high	104 Å²	104	56.4 Å²	56.4	49%	0.486	33%	0.33	S	S	.	.			trans	-61.8	130.2	177.8	-169.6	-165.9	152.7	0	0	112.4	S398 K399 W400	E396-S398 WeakPolarHBondContact CG-OG 3.06Å; E396-S398 PolarHBondContact O-N 2.95Å; E396-S398 PolarHBondContact OE1-OG 2.81Å; E396-K399 HydrophobicContact CB-CD 4.34Å; E396-K399 PolarHBondContact O-N 2.99Å; E396-K399 IonicContact OE2-NZ 2.68Å; E396-K399 PolarHBondContact OE2-NZ 2.6Å; E396-W400 PolarHBondContact O-NE1 2.96Å
397	P	91.4	Very high	93.3	Very high	101 Å²	101	57.2 Å²	57.2	66%	0.656	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-49.4	-34.6	-177.3	-33.2	37.6	0	0	0	115.9	K399 W400	P397-K399 PolarHBondContact O-N 3.33Å; P397-W400 WeakPolarHBondContact O-CB 3.42Å; P397-W400 PolarHBondContact O-N 3.05Å; P397-W400 VanDerWaalsContact O-N 3.12Å
398	S	92.7	Very high	93.4	Very high	85 Å²	85	57.2 Å²	57.2	59%	0.594	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.6	-20.5	178.1	62.8	0	0	0	0	114.2	E396	E396-S398 WeakPolarHBondContact CG-OG 3.06Å; E396-S398 PolarHBondContact O-N 2.95Å; E396-S398 PolarHBondContact OE1-OG 2.81Å
399	K	94.8	Very high	93.4	Very high	108 Å²	108	59.4 Å²	59.4	47%	0.47	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-96.4	-13.5	-178.6	-66	167.2	-179.9	133.7	0	113.5	I395 E396 P397 A401 A402 I403	I395-K399 HydrophobicContact CG2-CB 4.11Å; E396-K399 HydrophobicContact CB-CD 4.34Å; E396-K399 PolarHBondContact O-N 2.99Å; E396-K399 IonicContact OE2-NZ 2.68Å; E396-K399 PolarHBondContact OE2-NZ 2.6Å; P397-K399 PolarHBondContact O-N 3.33Å; K399-A401 PolarHBondContact O-N 3.48Å; K399-A402 PolarHBondContact O-N 3.07Å; K399-I403 HydrophobicContact CB-CD1 4.34Å; K399-I403 WeakPolarHBondContact O-CG1 3.37Å; K399-I403 PolarHBondContact O-N 2.79Å; K399-I403 VanDerWaalsContact O-N 3.09Å
400	W	95.2	Very high	93.6	Very high	34 Å²	34	55 Å²	55	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-49.8	-167.9	-71.3	24.3	0	0	0	112.2	R384 I387 V391 I395 E396 P397 A402 I403 I404 F431	R384-W400 VanDerWaalsContact NH2-CH2 3.31Å; I387-W400 HydrophobicContact CG2-CE3 4.21Å; I387-W400 HydrophobicContact CG2-CZ3 4.48Å; V391-W400 HydrophobicContact CB-CD2 4.5Å; V391-W400 HydrophobicContact CG1-CD2 4.04Å; V391-W400 HydrophobicContact CG1-CG 3.88Å; V391-W400 HydrophobicContact CG2-CB 4.07Å; V391-W400 HydrophobicContact CG2-CD2 4.14Å; V391-W400 HydrophobicContact CG2-CE3 4.44Å; V391-W400 HydrophobicContact CG2-CG 3.98Å; I395-W400 PolarHBondContact O-NE1 3.27Å; E396-W400 PolarHBondContact O-NE1 2.96Å; P397-W400 WeakPolarHBondContact O-CB 3.42Å; P397-W400 PolarHBondContact O-N 3.05Å; P397-W400 VanDerWaalsContact O-N 3.12Å; W400-A402 VanDerWaalsContact C-N 3.27Å; W400-A402 PolarHBondContact O-N 3.08Å; W400-I403 PolarHBondContact O-N 2.97Å; W400-I404 HydrophobicContact CB-CD1 4.48Å; W400-I404 WeakPolarHBondContact O-CD1 3.38Å; W400-I404 VanDerWaalsContact O-CG1 3.24Å; W400-I404 WeakPolarHBondContact O-CG1 3.03Å; W400-I404 PolarHBondContact O-N 2.89Å; W400-F431 HydrophobicContact CE3-CD1 4.14Å; W400-F431 AromaticContact CE3-CE1 3.65Å; W400-F431 HydrophobicContact CE3-CE1 3.65Å; W400-F431 HydrophobicContact CZ3-CE1 4.05Å
401	A	96.5	Very high	93.6	Very high	27 Å²	27	55.2 Å²	55.2	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-55.3	-41.4	177.7	0	0	0	0	0	112.3	K399 G405 P429 F431	K399-A401 PolarHBondContact O-N 3.48Å; A401-G405 PolarHBondContact O-N 2.8Å; A401-P429 WeakPolarHBondContact O-CA 3.29Å; A401-P429 WeakPolarHBondContact O-CB 3.39Å; A401-F431 HydrophobicContact CB-CB 4.21Å
402	A	96.3	Very high	93.6	Very high	43 Å²	43	55.6 Å²	55.6	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-38.3	177.3	0	0	0	0	0	112.9	K399 W400 Q406	K399-A402 PolarHBondContact O-N 3.07Å; W400-A402 VanDerWaalsContact C-N 3.27Å; W400-A402 PolarHBondContact O-N 3.08Å; A402-Q406 WeakPolarHBondContact O-CB 3.49Å; A402-Q406 WeakPolarHBondContact O-CG 3.16Å; A402-Q406 PolarHBondContact O-N 3.12Å; A402-Q406 PolarHBondContact O-NE2 3.09Å
403	I	95.4	Very high	93.5	Very high	38 Å²	38	57 Å²	57	20%	0.195	34%	0.339	C	S	.	.	H	α-helix	trans	-68.1	-46.8	176.6	-65.5	170.4	0	0	0	110.4	V391 I395 K399 W400 G405 Q406 C407	V391-I403 HydrophobicContact CG1-CD1 4.35Å; I395-I403 HydrophobicContact CG2-CD1 3.77Å; K399-I403 HydrophobicContact CB-CD1 4.34Å; K399-I403 WeakPolarHBondContact O-CG1 3.37Å; K399-I403 PolarHBondContact O-N 2.79Å; K399-I403 VanDerWaalsContact O-N 3.09Å; W400-I403 PolarHBondContact O-N 2.97Å; I403-G405 PolarHBondContact O-N 3.27Å; I403-Q406 PolarHBondContact O-N 3.25Å; I403-Q406 VanDerWaalsContact O-N 3.15Å; I403-C407 WeakPolarHBondContact O-CB 3.31Å; I403-C407 PolarHBondContact O-N 3.23Å; I403-C407 PolarHBondContact O-SG 2.97Å
404	I	95.9	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-54.9	-52.8	177.3	-68.3	161.8	0	0	0	110.3	I387 I390 V391 W400 Q406 C407 V408 V427 F431 L443	I387-I404 HydrophobicContact CG2-CD1 3.64Å; I387-I404 HydrophobicContact CG2-CG1 4.25Å; I390-I404 HydrophobicContact CG2-CG1 4.23Å; V391-I404 HydrophobicContact CG2-CG1 4.28Å; W400-I404 HydrophobicContact CB-CD1 4.48Å; W400-I404 WeakPolarHBondContact O-CD1 3.38Å; W400-I404 VanDerWaalsContact O-CG1 3.24Å; W400-I404 WeakPolarHBondContact O-CG1 3.03Å; W400-I404 PolarHBondContact O-N 2.89Å; I404-Q406 PolarHBondContact O-N 2.92Å; I404-C407 PolarHBondContact O-N 3.47Å; I404-V408 HydrophobicContact CG2-CG2 4.08Å; I404-V408 WeakPolarHBondContact O-CB 3.08Å; I404-V408 WeakPolarHBondContact O-CG2 3.28Å; I404-V408 PolarHBondContact O-N 2.79Å; I404-V427 HydrophobicContact CG2-CG1 4.01Å; I404-F431 HydrophobicContact CD1-CB 3.76Å; I404-F431 HydrophobicContact CD1-CD1 4.23Å; I404-F431 HydrophobicContact CD1-CD2 4.02Å; I404-F431 HydrophobicContact CD1-CG 3.72Å; I404-L443 HydrophobicContact CG2-CD1 4.37Å; I404-L443 HydrophobicContact CG2-CD2 3.9Å
405	G	95.8	Very high	93.6	Very high	17 Å²	17	52.2 Å²	52.2	18%	0.175	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-16.2	-179.3	0	0	0	0	0	115.4	A401 I403 V427	A401-G405 PolarHBondContact O-N 2.8Å; I403-G405 PolarHBondContact O-N 3.27Å; G405-V427 WeakPolarHBondContact CA-O 3.22Å
406	Q	95.3	Very high	93.2	Very high	145 Å²	145	55 Å²	55	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-92.4	-38.3	175.1	-73.2	171.9	35.2	0	0	112.8	A402 I403 I404	A402-Q406 WeakPolarHBondContact O-CB 3.49Å; A402-Q406 WeakPolarHBondContact O-CG 3.16Å; A402-Q406 PolarHBondContact O-N 3.12Å; A402-Q406 PolarHBondContact O-NE2 3.09Å; I403-Q406 PolarHBondContact O-N 3.25Å; I403-Q406 VanDerWaalsContact O-N 3.15Å; I404-Q406 PolarHBondContact O-N 2.92Å
407	C	94.3	Very high	92	Very high	19 Å²	19	53.9 Å²	53.9	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-98.7	-30.8	-167.6	-56	0	0	0	0	113.2	W362 D363 S364 I403 I404	W362-C407 WeakPolarHBondContact CA-O 3.26Å; D363-C407 PolarHBondContact N-O 3.24Å; D363-C407 WeakPolarHBondContact O-CB 3.43Å; D363-C407 PolarHBondContact O-SG 2.9Å; S364-C407 VanDerWaalsContact CB-SG 3.59Å; I403-C407 WeakPolarHBondContact O-CB 3.31Å; I403-C407 PolarHBondContact O-N 3.23Å; I403-C407 PolarHBondContact O-SG 2.97Å; I404-C407 PolarHBondContact O-N 3.47Å
408	V	96.5	Very high	90.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.9	-172.1	-176.7	0	0	0	0	112.1	L360 F361 W362 I390 I404 V410 V427	L360-V408 HydrophobicContact CD1-CG1 4.31Å; L360-V408 HydrophobicContact CD2-CG1 3.87Å; L360-V408 HydrophobicContact CG-CG1 3.89Å; F361-V408 WeakPolarHBondContact O-CA 3.2Å; W362-V408 HydrophobicContact CB-CG2 4.39Å; I390-V408 HydrophobicContact CD1-CG2 3.73Å; I390-V408 HydrophobicContact CG1-CG2 4.18Å; I390-V408 HydrophobicContact CG2-CG2 3.76Å; I404-V408 HydrophobicContact CG2-CG2 4.08Å; I404-V408 WeakPolarHBondContact O-CB 3.08Å; I404-V408 WeakPolarHBondContact O-CG2 3.28Å; I404-V408 PolarHBondContact O-N 2.79Å; V408-V410 HydrophobicContact CG1-CG2 4.34Å; V408-V427 HydrophobicContact CB-CB 4.44Å; V408-V427 HydrophobicContact CB-CG2 3.9Å; V408-V427 HydrophobicContact CG1-CG2 3.59Å
409	R	94.6	Very high	88.7	Confident	102 Å²	102	56.6 Å²	56.6	39%	0.385	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.9	173.9	-56.9	179.4	-170.4	-145.1	-1	109	F361 Y424 F426	F361-R409 PolarHBondContact N-O 3.24Å; F361-R409 PolarHBondContact O-N 3.06Å; R409-Y424 HydrophobicContact CB-CD1 4.07Å; R409-Y424 HydrophobicContact CB-CG 4.31Å; R409-F426 HydrophobicContact CG-CE1 4.45Å
410	V	95.5	Very high	86.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.1	179.3	178.6	0	0	0	0	109.5	Y359 L360 C372 I380 V408 F412 Y424 F425 V427 L445	Y359-V410 WeakPolarHBondContact O-CA 3.19Å; L360-V410 HydrophobicContact CB-CG2 4.49Å; L360-V410 HydrophobicContact CG-CG2 4.2Å; C372-V410 VanDerWaalsContact SG-CG1 3.55Å; I380-V410 HydrophobicContact CD1-CG2 3.9Å; V408-V410 HydrophobicContact CG1-CG2 4.34Å; V410-F412 HydrophobicContact CG1-CD2 4.43Å; V410-F412 HydrophobicContact CG1-CE1 4.17Å; V410-F412 HydrophobicContact CG1-CE2 3.89Å; V410-F412 HydrophobicContact CG1-CZ 3.73Å; V410-Y424 WeakPolarHBondContact O-CA 3.25Å; V410-F425 HydrophobicContact CB-CB 4.5Å; V410-F425 PolarHBondContact N-O 2.6Å; V410-F425 PolarHBondContact O-N 2.82Å; V410-V427 HydrophobicContact CG2-CG2 4.45Å; V410-L445 HydrophobicContact CB-CD2 4.24Å; V410-L445 HydrophobicContact CG2-CD2 4.35Å
411	T	93.4	Very high	85.2	Confident	5 Å²	5	62 Å²	62	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.8	167.7	173	0	0	0	0	109.4	G358 Y359 G413 E421 Y424	G358-T411 CarbonylContact C-O 3.59Å; G358-T411 VanDerWaalsContact CA-O 3.24Å; G358-T411 WeakPolarHBondContact CA-O 3.19Å; Y359-T411 HydrophobicContact CD1-CG2 4.06Å; Y359-T411 PolarHBondContact N-O 2.92Å; Y359-T411 PolarHBondContact O-N 2.9Å; Y359-T411 VanDerWaalsContact O-N 3.08Å; T411-G413 PolarHBondContact OG1-N 2.71Å; T411-E421 VanDerWaalsContact CB-OE2 3.31Å; T411-E421 WeakPolarHBondContact CB-OE2 3Å; T411-E421 WeakPolarHBondContact CG2-OE2 3.43Å; T411-E421 PolarHBondContact OG1-OE2 3.48Å; T411-Y424 HydrophobicContact CG2-CD1 4.13Å; T411-Y424 HydrophobicContact CG2-CE1 3.76Å
412	F	93.6	Very high	83.7	Confident	15 Å²	15	66.2 Å²	66.2	7%	0.066	36%	0.361	C	S	.	.	S	Bend	trans	-97.3	-18.6	175.7	-62.9	-77.1	0	0	0	112.5	S356 G358 V374 I380 V410 F425 L445 P453 K480	S356-F412 WeakPolarHBondContact O-CE1 3.49Å; G358-F412 VanDerWaalsContact CA-CD1 3.49Å; V374-F412 HydrophobicContact CG2-CD1 4.32Å; V374-F412 HydrophobicContact CG2-CE1 3.55Å; V374-F412 HydrophobicContact CG2-CE2 4.27Å; V374-F412 HydrophobicContact CG2-CZ 3.52Å; I380-F412 HydrophobicContact CG2-CZ 4.12Å; V410-F412 HydrophobicContact CG1-CD2 4.43Å; V410-F412 HydrophobicContact CG1-CE1 4.17Å; V410-F412 HydrophobicContact CG1-CE2 3.89Å; V410-F412 HydrophobicContact CG1-CZ 3.73Å; F412-F425 AromaticContact CD2-CD2 3.79Å; F412-F425 HydrophobicContact CD2-CD2 3.79Å; F412-F425 AromaticContact CD2-CE2 3.67Å; F412-F425 HydrophobicContact CD2-CE2 3.67Å; F412-F425 AromaticContact CE2-CD2 3.84Å; F412-F425 HydrophobicContact CE2-CD2 3.84Å; F412-F425 HydrophobicContact CE2-CE2 4.02Å; F412-F425 HydrophobicContact CE2-CG 4.45Å; F412-L445 HydrophobicContact CE2-CD1 3.93Å; F412-L445 HydrophobicContact CZ-CD1 4.06Å; F412-P453 HydrophobicContact CB-CG 3.74Å; F412-P453 HydrophobicContact CD1-CG 4.07Å; F412-P453 HydrophobicContact CD2-CG 3.78Å; F412-P453 HydrophobicContact CE2-CG 4.42Å; F412-P453 HydrophobicContact CG-CG 3.59Å; F412-K480 PolarHBondContact O-NZ 2.86Å
413	G	88.7	Confident	82.9	Confident	49 Å²	49	69 Å²	69	51%	0.505	37%	0.369	S	S	.	.			trans	-76.9	-18.5	-178.5	0	0	0	0	0	114.4	T411 E415	T411-G413 PolarHBondContact OG1-N 2.71Å; G413-E415 PolarHBondContact O-N 3.22Å
414	Y	87.3	Confident	82.6	Confident	33 Å²	33	70.6 Å²	70.6	13%	0.129	37%	0.373	C	S	.	.			trans	-62.9	108	-176	-170.9	-121.4	0	0	0	110.6	Y359 E416 E421 H474 G477 D478 K480	Y359-Y414 HydrophobicContact CD1-CD1 4.14Å; Y359-Y414 HydrophobicContact CD1-CE1 4.49Å; Y359-Y414 AromaticContact CD2-CD1 3.86Å; Y359-Y414 HydrophobicContact CD2-CD1 3.86Å; Y359-Y414 AromaticContact CD2-CE1 3.95Å; Y359-Y414 HydrophobicContact CD2-CE1 3.95Å; Y359-Y414 HydrophobicContact CE2-CD1 4.47Å; Y359-Y414 HydrophobicContact CE2-CE1 4.14Å; Y359-Y414 AromaticContact CG-CD1 3.66Å; Y359-Y414 HydrophobicContact CG-CD1 3.66Å; Y359-Y414 HydrophobicContact CG-CE1 4.13Å; Y359-Y414 HydrophobicContact CG-CG 4.39Å; Y414-E416 WeakPolarHBondContact CE2-O 3.19Å; Y414-E421 VanDerWaalsContact CA-OE1 3.26Å; Y414-E421 WeakPolarHBondContact CA-OE1 3.49Å; Y414-E421 WeakPolarHBondContact CA-OE2 3.21Å; Y414-E421 WeakPolarHBondContact CB-OE2 3.48Å; Y414-E421 PolarHBondContact N-OE1 3.33Å; Y414-E421 PolarHBondContact N-OE2 3.32Å; Y414-H474 AromaticContact CD1-CE1 3.53Å; Y414-H474 AromaticContact CD1-ND1 3.58Å; Y414-H474 AromaticContact CE1-ND1 3.95Å; Y414-H474 PolarHBondContact O-CE1 3.03Å; Y414-H474 VanDerWaalsContact O-CE1 3.25Å; Y414-G477 PolarHBondContact OH-O 3.3Å; Y414-D478 WeakPolarHBondContact CE1-O 3.23Å; Y414-K480 WeakPolarHBondContact O-CE 3.36Å
415	E	87.1	Confident	82.6	Confident	106 Å²	106	71.2 Å²	71.2	50%	0.495	38%	0.376	S	S	.	.	S	Bend	trans	-115.2	-35.8	172.8	-67.4	-164.7	151.8	0	0	112.1	G413 K479 K480	G413-E415 PolarHBondContact O-N 3.22Å; E415-K479 CarbonylContact O-C 3.3Å; E415-K479 WeakPolarHBondContact O-CA 3.24Å; E415-K479 WeakPolarHBondContact O-CB 3.34Å; E415-K480 PolarHBondContact O-N 2.81Å
416	E	83.5	Confident	82.5	Confident	124 Å²	124	74.7 Å²	74.7	58%	0.579	39%	0.387	S	S	*	.	S	Bend	trans	-137.7	156.4	176.6	-63.6	-162.6	151.8	0	0	112	Y414 E418 K479	Y414-E416 WeakPolarHBondContact CE2-O 3.19Å; E416-E418 PolarHBondContact O-N 2.86Å; E416-K479 HydrophobicContact CG-CB 4.34Å
417	P	69.1	Low	82.6	Confident	80 Å²	80	67.9 Å²	67.9	52%	0.519	36%	0.355	S	S	.	.	S	Bend	trans	-66.7	9.6	-177.9	-21.8	34.8	0	0	0	116.8	G419	P417-G419 PolarHBondContact O-N 3.43Å
418	E	56.8	Low	82.7	Confident	181 Å²	181	69.2 Å²	69.2	85%	0.846	36%	0.36	S	S	*	.			trans	-94.7	99.5	-172.5	-66.9	-155.8	170.9	0	0	113	E416	E416-E418 PolarHBondContact O-N 2.86Å
419	G	57	Low	82.7	Confident	63 Å²	63	73.7 Å²	73.7	65%	0.649	39%	0.388	S	S	*	.	S	Bend	trans	117.2	154.5	171.4	0	0	0	0	0	113.1	P417 E421	P417-G419 PolarHBondContact O-N 3.43Å; G419-E421 PolarHBondContact O-N 2.97Å
420	K	54.5	Low	82.8	Confident	202 Å²	202	70.6 Å²	70.6	88%	0.878	38%	0.377	S	S	*	.			trans	-78.5	100.5	167	-72.9	-173.5	177.7	-174.6	0	107.7	T422	K420-T422 PolarHBondContact O-N 3.35Å
421	E	62.6	Low	82.8	Confident	53 Å²	53	71.9 Å²	71.9	25%	0.248	38%	0.382	C	S	.	.			trans	-58.1	129.5	165.8	-61.9	-151.4	133.4	0	0	109.6	T411 Y414 G419 Y424	T411-E421 VanDerWaalsContact CB-OE2 3.31Å; T411-E421 WeakPolarHBondContact CB-OE2 3Å; T411-E421 WeakPolarHBondContact CG2-OE2 3.43Å; T411-E421 PolarHBondContact OG1-OE2 3.48Å; Y414-E421 VanDerWaalsContact CA-OE1 3.26Å; Y414-E421 WeakPolarHBondContact CA-OE1 3.49Å; Y414-E421 WeakPolarHBondContact CA-OE2 3.21Å; Y414-E421 WeakPolarHBondContact CB-OE2 3.48Å; Y414-E421 PolarHBondContact N-OE1 3.33Å; Y414-E421 PolarHBondContact N-OE2 3.32Å; G419-E421 PolarHBondContact O-N 2.97Å; E421-Y424 WeakPolarHBondContact O-CE2 3.34Å; E421-Y424 PolarHBondContact O-OH 3.07Å
422	T	64.3	Low	82.8	Confident	116 Å²	116	77.4 Å²	77.4	71%	0.712	41%	0.408	S	S	*	.			trans	-101.3	-10.7	-179.8	52.7	0	0	0	0	112.9	K420 Y424	K420-T422 PolarHBondContact O-N 3.35Å; T422-Y424 PolarHBondContact O-N 2.85Å
423	N	79.9	Confident	83	Confident	100 Å²	100	76.8 Å²	76.8	54%	0.535	41%	0.405	S	S	.	.			trans	-99.7	72.6	-170.3	-65.4	-7.4	0	0	0	110.7
424	Y	89.7	Confident	83.4	Confident	72 Å²	72	76.8 Å²	76.8	28%	0.282	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-93.8	134.6	172.8	-63.1	-71.7	0	0	0	111.8	R409 V410 T411 E421 T422	R409-Y424 HydrophobicContact CB-CD1 4.07Å; R409-Y424 HydrophobicContact CB-CG 4.31Å; V410-Y424 WeakPolarHBondContact O-CA 3.25Å; T411-Y424 HydrophobicContact CG2-CD1 4.13Å; T411-Y424 HydrophobicContact CG2-CE1 3.76Å; E421-Y424 WeakPolarHBondContact O-CE2 3.34Å; E421-Y424 PolarHBondContact O-OH 3.07Å; T422-Y424 PolarHBondContact O-N 2.85Å
425	F	94.5	Very high	83.8	Confident	13 Å²	13	75.9 Å²	75.9	6%	0.057	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.9	159.1	-63.2	-92.4	0	0	0	109	V410 F412 L445 Q450 V452	V410-F425 HydrophobicContact CB-CB 4.5Å; V410-F425 PolarHBondContact N-O 2.6Å; V410-F425 PolarHBondContact O-N 2.82Å; F412-F425 AromaticContact CD2-CD2 3.79Å; F412-F425 HydrophobicContact CD2-CD2 3.79Å; F412-F425 AromaticContact CD2-CE2 3.67Å; F412-F425 HydrophobicContact CD2-CE2 3.67Å; F412-F425 AromaticContact CE2-CD2 3.84Å; F412-F425 HydrophobicContact CE2-CD2 3.84Å; F412-F425 HydrophobicContact CE2-CE2 4.02Å; F412-F425 HydrophobicContact CE2-CG 4.45Å; F425-L445 HydrophobicContact CB-CD2 3.78Å; F425-L445 HydrophobicContact CD1-CD1 4.42Å; F425-L445 HydrophobicContact CG-CD1 4.46Å; F425-L445 HydrophobicContact CG-CD2 4.49Å; F425-Q450 HydrophobicContact CE1-CB 3.71Å; F425-Q450 HydrophobicContact CZ-CB 3.75Å; F425-V452 HydrophobicContact CD1-CG2 4.23Å; F425-V452 HydrophobicContact CE1-CG2 3.63Å; F425-V452 HydrophobicContact CZ-CG2 4.23Å
426	F	95.2	Very high	84.1	Confident	90 Å²	90	76.7 Å²	76.7	40%	0.395	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	156.8	167.2	-65.9	-86.8	0	0	0	109.2	R409 K446	R409-F426 HydrophobicContact CG-CE1 4.45Å; F426-K446 HydrophobicContact CB-CB 4.42Å; F426-K446 WeakPolarHBondContact O-CB 3.27Å; F426-K446 PolarHBondContact O-N 3.38Å
427	V	96.8	Very high	84.5	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.018	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-97.7	144	175.9	-173	0	0	0	0	109	I404 G405 V408 V410 L443 K444	I404-V427 HydrophobicContact CG2-CG1 4.01Å; G405-V427 WeakPolarHBondContact CA-O 3.22Å; V408-V427 HydrophobicContact CB-CB 4.44Å; V408-V427 HydrophobicContact CB-CG2 3.9Å; V408-V427 HydrophobicContact CG1-CG2 3.59Å; V410-V427 HydrophobicContact CG2-CG2 4.45Å; V427-L443 HydrophobicContact CG1-CB 3.83Å; V427-L443 HydrophobicContact CG1-CD1 4.37Å; V427-L443 HydrophobicContact CG1-CG 4.5Å; V427-K444 WeakPolarHBondContact CA-O 3.41Å; V427-K444 WeakPolarHBondContact CG1-O 3.45Å
428	E	96.9	Very high	85.6	Confident	47 Å²	47	74.5 Å²	74.5	22%	0.22	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-66.8	152.1	169.9	-68.9	-172.7	-177.3	0	0	110.8	W430 K444 K446	E428-W430 HydrophobicContact CB-CB 4.31Å; E428-W430 PolarHBondContact O-N 2.91Å; E428-K444 HydrophobicContact CG-CG 4.5Å; E428-K444 PolarHBondContact N-O 3.09Å; E428-K444 IonicContact OE1-NZ 2.72Å; E428-K444 PolarHBondContact OE1-NZ 3.05Å; E428-K444 VanDerWaalsContact OE2-CD 3.31Å; E428-K444 WeakPolarHBondContact OE2-CD 3.5Å; E428-K444 IonicContact OE2-NZ 3.95Å; E428-K444 PolarHBondContact OE2-NZ 2.69Å; E428-K446 HydrophobicContact CG-CB 3.95Å; E428-K446 HydrophobicContact CG-CG 4.36Å
429	P	96.5	Very high	87.5	Confident	93 Å²	93	66.1 Å²	66.1	60%	0.604	34%	0.337	S	S	*	.	S	Bend	trans	-75.8	65	173.5	33.8	-35.6	0	0	0	110.5	A401	A401-P429 WeakPolarHBondContact O-CA 3.29Å; A401-P429 WeakPolarHBondContact O-CB 3.39Å
430	W	95.1	Very high	89.4	Confident	38 Å²	38	63.1 Å²	63.1	14%	0.144	31%	0.306	C	S	.	.			trans	-138.4	127.7	-175.2	176	86.2	0	0	0	109.4	F379 E428 E432 I433 V442 K444	F379-W430 HydrophobicContact CD1-CH2 4.22Å; F379-W430 HydrophobicContact CD1-CZ3 4.08Å; F379-W430 AromaticContact CE1-CH2 3.88Å; F379-W430 HydrophobicContact CE1-CH2 3.88Å; F379-W430 HydrophobicContact CE1-CZ2 4.4Å; F379-W430 AromaticContact CE1-CZ3 3.99Å; F379-W430 HydrophobicContact CE1-CZ3 3.99Å; E428-W430 HydrophobicContact CB-CB 4.31Å; E428-W430 PolarHBondContact O-N 2.91Å; W430-E432 HydrophobicContact CZ2-CB 3.97Å; W430-E432 PolarHBondContact NE1-OE1 2.87Å; W430-E432 PolarHBondContact NE1-OE2 2.89Å; W430-I433 HydrophobicContact CH2-CB 4.25Å; W430-I433 HydrophobicContact CH2-CD1 3.95Å; W430-I433 HydrophobicContact CH2-CG1 3.96Å; W430-I433 HydrophobicContact CZ2-CD1 4.07Å; W430-I433 HydrophobicContact CZ2-CG1 4.07Å; W430-V442 HydrophobicContact CH2-CG1 4.28Å; W430-V442 HydrophobicContact CZ3-CB 4.39Å; W430-V442 HydrophobicContact CZ3-CG1 4.1Å; W430-V442 WeakPolarHBondContact CZ3-O 3.27Å; W430-K444 HydrophobicContact CE3-CB 3.87Å; W430-K444 HydrophobicContact CZ3-CB 4.3Å
431	F	95.8	Very high	91.5	Very high	26 Å²	26	53.5 Å²	53.5	11%	0.114	27%	0.265	C	S	.	.			trans	-154.9	86.2	179.4	179.7	-111.8	0	0	0	109.2	I387 W400 A401 I404 H434 A441 L443	I387-F431 HydrophobicContact CB-CE2 4.44Å; I387-F431 HydrophobicContact CB-CZ 4.35Å; I387-F431 HydrophobicContact CG1-CE2 3.88Å; I387-F431 HydrophobicContact CG1-CZ 4.23Å; I387-F431 HydrophobicContact CG2-CE1 4.24Å; I387-F431 HydrophobicContact CG2-CE2 4.06Å; I387-F431 HydrophobicContact CG2-CZ 3.9Å; W400-F431 HydrophobicContact CE3-CD1 4.14Å; W400-F431 AromaticContact CE3-CE1 3.65Å; W400-F431 HydrophobicContact CE3-CE1 3.65Å; W400-F431 HydrophobicContact CZ3-CE1 4.05Å; A401-F431 HydrophobicContact CB-CB 4.21Å; I404-F431 HydrophobicContact CD1-CB 3.76Å; I404-F431 HydrophobicContact CD1-CD1 4.23Å; I404-F431 HydrophobicContact CD1-CD2 4.02Å; I404-F431 HydrophobicContact CD1-CG 3.72Å; F431-H434 AromaticContact CE1-CD2 3.43Å; F431-H434 VanDerWaalsContact CE1-CD2 3.43Å; F431-H434 WeakPolarHBondContact CE1-CD2 3.34Å; F431-H434 AromaticContact CE1-NE2 3.75Å; F431-H434 HydrophobicContact CE2-CB 3.82Å; F431-H434 HydrophobicContact CZ-CB 3.66Å; F431-H434 AromaticContact CZ-CD2 3.33Å; F431-H434 WeakPolarHBondContact CZ-CD2 3.22Å; F431-H434 AromaticContact CZ-CG 3.46Å; F431-H434 VanDerWaalsContact CZ-CG 3.46Å; F431-A441 HydrophobicContact CE2-CB 3.88Å; F431-L443 HydrophobicContact CD2-CD2 3.96Å
432	E	94.3	Very high	93.2	Very high	121 Å²	121	51 Å²	51	57%	0.565	25%	0.253	S	S	*	.			trans	-116.8	-25.8	-175.9	-68.1	174.2	-179.3	0	0	112.8	W430 Y589	W430-E432 HydrophobicContact CZ2-CB 3.97Å; W430-E432 PolarHBondContact NE1-OE1 2.87Å; W430-E432 PolarHBondContact NE1-OE2 2.89Å; E432-Y589 WeakPolarHBondContact O-CE1 2.8Å; E432-Y589 PolarHBondContact O-OH 2.89Å; E432-Y589 VanDerWaalsContact O-OH 3.08Å
433	I	97.4	Very high	94.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.219	C	C	.	.			trans	-116.9	103.8	-167.8	-57.2	-174.8	0	0	0	109.9	W430 Y440 V442 I585 Y589 W592	W430-I433 HydrophobicContact CH2-CB 4.25Å; W430-I433 HydrophobicContact CH2-CD1 3.95Å; W430-I433 HydrophobicContact CH2-CG1 3.96Å; W430-I433 HydrophobicContact CZ2-CD1 4.07Å; W430-I433 HydrophobicContact CZ2-CG1 4.07Å; I433-Y440 HydrophobicContact CG2-CE2 4.25Å; I433-V442 HydrophobicContact CB-CB 4.11Å; I433-V442 HydrophobicContact CB-CG2 4.15Å; I433-V442 HydrophobicContact CG2-CB 4.2Å; I433-V442 HydrophobicContact CG2-CG2 3.67Å; I433-V442 PolarHBondContact O-N 3.42Å; I433-I585 HydrophobicContact CG2-CG1 4.23Å; I433-Y589 HydrophobicContact CB-CE1 4.47Å; I433-Y589 HydrophobicContact CB-CE2 4.47Å; I433-Y589 HydrophobicContact CB-CG 4.49Å; I433-Y589 HydrophobicContact CD1-CD1 4.38Å; I433-Y589 HydrophobicContact CD1-CG 4.3Å; I433-Y589 HydrophobicContact CG1-CD1 3.79Å; I433-Y589 HydrophobicContact CG1-CD2 4.49Å; I433-Y589 HydrophobicContact CG1-CE1 4.05Å; I433-Y589 HydrophobicContact CG1-CG 4Å; I433-Y589 HydrophobicContact CG2-CD2 3.79Å; I433-Y589 HydrophobicContact CG2-CE2 3.97Å; I433-Y589 HydrophobicContact CG2-CG 4.09Å; I433-W592 HydrophobicContact CD1-CB 3.9Å; I433-W592 HydrophobicContact CD1-CD2 3.06Å; I433-W592 VanDerWaalsContact CD1-CE2 3.41Å; I433-W592 HydrophobicContact CD1-CE3 3.37Å; I433-W592 HydrophobicContact CD1-CG 3.31Å; I433-W592 HydrophobicContact CD1-CH2 4.24Å; I433-W592 HydrophobicContact CD1-CZ2 4Å; I433-W592 HydrophobicContact CD1-CZ3 3.95Å
434	H	97.1	Very high	95.7	Very high	49 Å²	49	43.1 Å²	43.1	23%	0.227	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	163.4	-179.3	69.9	86.1	0	0	0	111.2	R384 F431 Y440 A441 Y589	R384-H434 PolarHBondContact NE-ND1 3.05Å; F431-H434 AromaticContact CE1-CD2 3.43Å; F431-H434 VanDerWaalsContact CE1-CD2 3.43Å; F431-H434 WeakPolarHBondContact CE1-CD2 3.34Å; F431-H434 AromaticContact CE1-NE2 3.75Å; F431-H434 HydrophobicContact CE2-CB 3.82Å; F431-H434 HydrophobicContact CZ-CB 3.66Å; F431-H434 AromaticContact CZ-CD2 3.33Å; F431-H434 WeakPolarHBondContact CZ-CD2 3.22Å; F431-H434 AromaticContact CZ-CG 3.46Å; F431-H434 VanDerWaalsContact CZ-CG 3.46Å; H434-Y440 CarbonylContact C-O 3.5Å; H434-Y440 WeakPolarHBondContact CA-O 3.27Å; H434-Y440 WeakPolarHBondContact CB-O 3.44Å; H434-A441 HydrophobicContact CB-CB 4.37Å; H434-Y589 PolarHBondContact N-OH 3.48Å; H434-Y589 PolarHBondContact O-OH 2.92Å; H434-Y589 VanDerWaalsContact O-OH 3.13Å
435	N	96.2	Very high	96	Very high	14 Å²	14	39.7 Å²	39.7	8%	0.075	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	144.7	165.2	179	-116.4	0	0	0	111.8	R384 E437 L438 D439 Y440 R588	R384-N435 WeakPolarHBondContact CB-O 3.41Å; N435-E437 PolarHBondContact ND2-OE2 3.4Å; N435-E437 WeakPolarHBondContact OD1-CB 3.34Å; N435-E437 PolarHBondContact OD1-N 3.03Å; N435-E437 VanDerWaalsContact OD1-N 3.09Å; N435-L438 WeakPolarHBondContact OD1-CB 3.14Å; N435-L438 PolarHBondContact OD1-N 2.88Å; N435-D439 VanDerWaalsContact O-CA 3.31Å; N435-D439 WeakPolarHBondContact O-CA 3.4Å; N435-D439 PolarHBondContact O-N 3.41Å; N435-Y440 HydrophobicContact CB-CD1 4.01Å; N435-Y440 HydrophobicContact CB-CE1 3.47Å; N435-Y440 VanDerWaalsContact CB-CE1 3.47Å; N435-Y440 PolarHBondContact N-O 3.49Å; N435-Y440 PolarHBondContact O-N 3.33Å; N435-Y440 VanDerWaalsContact O-N 3.08Å; N435-R588 VanDerWaalsContact ND2-CZ 3.28Å; N435-R588 PolarHBondContact ND2-NH1 2.94Å; N435-R588 PolarHBondContact ND2-NH2 2.87Å; N435-R588 PolarHBondContact OD1-NH2 3.47Å
436	E	93.4	Very high	96	Very high	123 Å²	123	44.7 Å²	44.7	58%	0.575	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-32.3	-178.5	-67.9	173.9	178.7	0	0	112.2	R384 D439	R384-E436 HydrophobicContact CG-CG 3.76Å; R384-E436 IonicContact CZ-OE1 2.66Å; R384-E436 IonicContact NE-OE1 2.62Å; R384-E436 PolarHBondContact NE-OE1 3.48Å; R384-E436 IonicContact NH2-OE1 2.73Å; R384-E436 PolarHBondContact NH2-OE1 3.33Å; E436-D439 PolarHBondContact O-N 3.21Å
437	E	90.6	Very high	95.8	Very high	137 Å²	137	47.7 Å²	47.7	64%	0.64	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-37.3	-178.2	-53.8	162.5	128.3	0	0	112.2	N435 R588	N435-E437 PolarHBondContact ND2-OE2 3.4Å; N435-E437 WeakPolarHBondContact OD1-CB 3.34Å; N435-E437 PolarHBondContact OD1-N 3.03Å; N435-E437 VanDerWaalsContact OD1-N 3.09Å; E437-R588 IonicContact OE2-CZ 3.26Å; E437-R588 IonicContact OE2-NH1 2.95Å; E437-R588 PolarHBondContact OE2-NH1 2.75Å; E437-R588 VanDerWaalsContact OE2-NH1 3.17Å; E437-R588 IonicContact OE2-NH2 3.3Å
438	L	93.3	Very high	95.3	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.11	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	0.4	174.3	-65.2	177.1	0	0	0	113	N435 Y440 D528 S576 D584	N435-L438 WeakPolarHBondContact OD1-CB 3.14Å; N435-L438 PolarHBondContact OD1-N 2.88Å; L438-Y440 HydrophobicContact CB-CD1 3.8Å; L438-Y440 HydrophobicContact CB-CE1 4.11Å; L438-Y440 HydrophobicContact CD1-CE1 4.23Å; L438-Y440 PolarHBondContact O-N 3.29Å; L438-D528 HydrophobicContact CD2-CB 3.95Å; L438-S576 VanDerWaalsContact O-CB 3.24Å; L438-S576 WeakPolarHBondContact O-CB 3.03Å; L438-S576 PolarHBondContact O-OG 2.9Å; L438-D584 HydrophobicContact CD1-CB 3.71Å
439	D	96	Very high	94.5	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.027	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	46	55.1	176	-163.7	-1.2	0	0	0	115	Y24 C383 R384 H385 N435 E436 M555 V557	Y24-D439 HydrophobicContact CE2-CB 4.11Å; C383-D439 WeakPolarHBondContact CA-O 3.33Å; R384-D439 WeakPolarHBondContact CA-OD1 3.48Å; R384-D439 WeakPolarHBondContact CB-OD1 3.39Å; R384-D439 PolarHBondContact N-O 2.88Å; R384-D439 PolarHBondContact N-OD1 3.44Å; H385-D439 IonicContact CE1-OD2 3.93Å; H385-D439 IonicContact CG-OD1 3.17Å; H385-D439 IonicContact CG-OD2 2.85Å; H385-D439 PolarHBondContact N-OD1 3.32Å; H385-D439 IonicContact ND1-OD1 3.67Å; H385-D439 PolarHBondContact ND1-OD1 3.14Å; H385-D439 IonicContact ND1-OD2 2.64Å; H385-D439 PolarHBondContact ND1-OD2 2.67Å; N435-D439 VanDerWaalsContact O-CA 3.31Å; N435-D439 WeakPolarHBondContact O-CA 3.4Å; N435-D439 PolarHBondContact O-N 3.41Å; E436-D439 PolarHBondContact O-N 3.21Å; D439-M555 WeakPolarHBondContact O-CE 3.24Å; D439-V557 HydrophobicContact CB-CG1 4Å; D439-V557 HydrophobicContact CB-CG2 4.37Å; D439-V557 WeakPolarHBondContact OD2-CG1 3.2Å
440	Y	98	Very high	94	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.5	175.1	79.2	-90.6	0	0	0	113	L381 I433 H434 N435 L438 V442 I581 D584 I585	L381-Y440 HydrophobicContact CD2-CD2 4.03Å; I433-Y440 HydrophobicContact CG2-CE2 4.25Å; H434-Y440 CarbonylContact C-O 3.5Å; H434-Y440 WeakPolarHBondContact CA-O 3.27Å; H434-Y440 WeakPolarHBondContact CB-O 3.44Å; N435-Y440 HydrophobicContact CB-CD1 4.01Å; N435-Y440 HydrophobicContact CB-CE1 3.47Å; N435-Y440 VanDerWaalsContact CB-CE1 3.47Å; N435-Y440 PolarHBondContact N-O 3.49Å; N435-Y440 PolarHBondContact O-N 3.33Å; N435-Y440 VanDerWaalsContact O-N 3.08Å; L438-Y440 HydrophobicContact CB-CD1 3.8Å; L438-Y440 HydrophobicContact CB-CE1 4.11Å; L438-Y440 HydrophobicContact CD1-CE1 4.23Å; L438-Y440 PolarHBondContact O-N 3.29Å; Y440-V442 HydrophobicContact CD2-CG2 4.49Å; Y440-I581 HydrophobicContact CD1-CB 4.33Å; Y440-I581 HydrophobicContact CD1-CG1 3.84Å; Y440-I581 HydrophobicContact CD1-CG2 3.95Å; Y440-I581 HydrophobicContact CD2-CG2 3.98Å; Y440-I581 HydrophobicContact CE1-CG1 4.46Å; Y440-I581 HydrophobicContact CE1-CG2 4.15Å; Y440-I581 HydrophobicContact CE2-CG2 4.21Å; Y440-I581 HydrophobicContact CG-CG1 4.2Å; Y440-I581 HydrophobicContact CG-CG2 3.87Å; Y440-D584 HydrophobicContact CE1-CB 4.42Å; Y440-D584 VanDerWaalsContact CE1-OD2 3.26Å; Y440-D584 WeakPolarHBondContact CE1-OD2 3.37Å; Y440-D584 PolarHBondContact OH-OD2 3.41Å; Y440-I585 HydrophobicContact CE2-CD1 3.85Å; Y440-I585 HydrophobicContact CE2-CG1 3.75Å; Y440-I585 WeakPolarHBondContact OH-CG1 3.49Å
441	A	98.3	Very high	93.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	130.8	174.9	0	0	0	0	0	109.9	T382 I387 F431 H434	T382-A441 HydrophobicContact CG2-CB 4.4Å; T382-A441 PolarHBondContact N-O 2.87Å; T382-A441 VanDerWaalsContact N-O 3.09Å; T382-A441 PolarHBondContact O-N 3.22Å; I387-A441 HydrophobicContact CD1-CB 4.02Å; I387-A441 HydrophobicContact CG1-CB 3.53Å; F431-A441 HydrophobicContact CE2-CB 3.88Å; H434-A441 HydrophobicContact CB-CB 4.37Å
442	V	98.4	Very high	93.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.1	169	-173.6	0	0	0	0	108.6	F379 I380 L381 W430 I433 Y440 I585 W592	F379-V442 HydrophobicContact CB-CG1 3.89Å; F379-V442 HydrophobicContact CD1-CG1 3.88Å; F379-V442 HydrophobicContact CG-CG1 4.25Å; I380-V442 WeakPolarHBondContact O-CA 3.19Å; L381-V442 HydrophobicContact CD2-CG2 3.74Å; W430-V442 HydrophobicContact CH2-CG1 4.28Å; W430-V442 HydrophobicContact CZ3-CB 4.39Å; W430-V442 HydrophobicContact CZ3-CG1 4.1Å; W430-V442 WeakPolarHBondContact CZ3-O 3.27Å; I433-V442 HydrophobicContact CB-CB 4.11Å; I433-V442 HydrophobicContact CB-CG2 4.15Å; I433-V442 HydrophobicContact CG2-CB 4.2Å; I433-V442 HydrophobicContact CG2-CG2 3.67Å; I433-V442 PolarHBondContact O-N 3.42Å; Y440-V442 HydrophobicContact CD2-CG2 4.49Å; V442-I585 HydrophobicContact CG2-CD1 4.41Å; V442-W592 HydrophobicContact CG1-CH2 4.17Å; V442-W592 HydrophobicContact CG1-CZ2 4.13Å; V442-W592 HydrophobicContact CG2-CH2 4.49Å
443	L	98.2	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	155.3	170.7	-56.7	179.3	0	0	0	109.5	L360 F379 I380 T382 I387 I404 V427 F431	L360-L443 HydrophobicContact CD1-CD1 4.32Å; F379-L443 CarbonylContact C-O 3.27Å; F379-L443 WeakPolarHBondContact CA-O 3.45Å; I380-L443 HydrophobicContact CD1-CB 4.06Å; I380-L443 HydrophobicContact CD1-CD1 4.37Å; I380-L443 HydrophobicContact CG1-CB 3.74Å; I380-L443 WeakPolarHBondContact CG1-O 3.41Å; I380-L443 PolarHBondContact N-O 3.48Å; I380-L443 PolarHBondContact O-N 3.15Å; T382-L443 HydrophobicContact CG2-CD1 4.43Å; I387-L443 HydrophobicContact CD1-CD1 4.04Å; I387-L443 HydrophobicContact CD1-CD2 4.03Å; I387-L443 HydrophobicContact CD1-CG 4.33Å; I404-L443 HydrophobicContact CG2-CD1 4.37Å; I404-L443 HydrophobicContact CG2-CD2 3.9Å; V427-L443 HydrophobicContact CG1-CB 3.83Å; V427-L443 HydrophobicContact CG1-CD1 4.37Å; V427-L443 HydrophobicContact CG1-CG 4.5Å; F431-L443 HydrophobicContact CD2-CD2 3.96Å
444	K	97.4	Very high	93.2	Very high	52 Å²	52	59.2 Å²	59.2	23%	0.226	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.4	178.4	-175.5	172.3	173.2	-121.2	0	110.7	L378 F379 V427 E428 W430	L378-K444 HydrophobicContact CB-CG 4.3Å; F379-K444 HydrophobicContact CD1-CB 3.91Å; F379-K444 HydrophobicContact CD1-CD 4.4Å; F379-K444 HydrophobicContact CD1-CG 4.14Å; F379-K444 HydrophobicContact CE1-CB 3.91Å; F379-K444 HydrophobicContact CE1-CD 3.69Å; F379-K444 HydrophobicContact CE1-CG 3.94Å; F379-K444 HydrophobicContact CZ-CD 3.99Å; V427-K444 WeakPolarHBondContact CA-O 3.41Å; V427-K444 WeakPolarHBondContact CG1-O 3.45Å; E428-K444 HydrophobicContact CG-CG 4.5Å; E428-K444 PolarHBondContact N-O 3.09Å; E428-K444 IonicContact OE1-NZ 2.72Å; E428-K444 PolarHBondContact OE1-NZ 3.05Å; E428-K444 VanDerWaalsContact OE2-CD 3.31Å; E428-K444 WeakPolarHBondContact OE2-CD 3.5Å; E428-K444 IonicContact OE2-NZ 3.95Å; E428-K444 PolarHBondContact OE2-NZ 2.69Å; W430-K444 HydrophobicContact CE3-CB 3.87Å; W430-K444 HydrophobicContact CZ3-CB 4.3Å
445	L	97	Very high	93.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-69.1	138.1	173.6	-59.6	172.7	0	0	0	109.9	L378 I380 V410 F412 F425 V452	L378-L445 HydrophobicContact CB-CB 4.5Å; L378-L445 WeakPolarHBondContact O-CB 3.35Å; L378-L445 WeakPolarHBondContact O-CG 3.47Å; L378-L445 PolarHBondContact O-N 3.41Å; I380-L445 HydrophobicContact CD1-CD2 4.16Å; I380-L445 HydrophobicContact CG2-CD1 3.8Å; I380-L445 HydrophobicContact CG2-CD2 4.13Å; I380-L445 HydrophobicContact CG2-CG 3.87Å; V410-L445 HydrophobicContact CB-CD2 4.24Å; V410-L445 HydrophobicContact CG2-CD2 4.35Å; F412-L445 HydrophobicContact CE2-CD1 3.93Å; F412-L445 HydrophobicContact CZ-CD1 4.06Å; F425-L445 HydrophobicContact CB-CD2 3.78Å; F425-L445 HydrophobicContact CD1-CD1 4.42Å; F425-L445 HydrophobicContact CG-CD1 4.46Å; F425-L445 HydrophobicContact CG-CD2 4.49Å; L445-V452 HydrophobicContact CD1-CG1 3.93Å; L445-V452 HydrophobicContact CD1-CG2 4.09Å
446	K	95.1	Very high	93.1	Very high	118 Å²	118	59.5 Å²	59.5	51%	0.513	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-79.1	130.1	175.7	-176.2	177	-179.1	176.4	0	110.2	F426 E428 N448	F426-K446 HydrophobicContact CB-CB 4.42Å; F426-K446 WeakPolarHBondContact O-CB 3.27Å; F426-K446 PolarHBondContact O-N 3.38Å; E428-K446 HydrophobicContact CG-CB 3.95Å; E428-K446 HydrophobicContact CG-CG 4.36Å; K446-N448 PolarHBondContact O-N 2.9Å
447	E	90.6	Very high	92.9	Very high	152 Å²	152	55.2 Å²	55.2	71%	0.71	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-59.3	124.7	173	-66	-174.8	-177.5	0	0	111.4	L378	L378-E447 HydrophobicContact CD1-CG 3.57Å
448	N	85.1	Confident	92.6	Very high	66 Å²	66	53.4 Å²	53.4	35%	0.353	28%	0.28	S	S	.	.			trans	-136.1	11.6	-179.7	67	-1.5	0	0	0	112.4	K446 Q450	K446-N448 PolarHBondContact O-N 2.9Å; N448-Q450 PolarHBondContact ND2-OE1 2.95Å; N448-Q450 PolarHBondContact O-N 2.82Å; N448-Q450 WeakPolarHBondContact OD1-CB 3.26Å; N448-Q450 WeakPolarHBondContact OD1-CG 3.3Å; N448-Q450 PolarHBondContact OD1-N 3.08Å
449	G	80.6	Confident	92	Very high	84 Å²	84	53.6 Å²	53.6	87%	0.866	29%	0.287	S	S	*	.	S	Bend	trans	76.8	-2.4	-175.7	0	0	0	0	0	115.4
450	Q	85.5	Confident	91.1	Very high	66 Å²	66	56.5 Å²	56.5	31%	0.308	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-79.4	143.7	171.5	-60.5	177.1	-33.1	0	0	110.4	F425 N448 V452	F425-Q450 HydrophobicContact CE1-CB 3.71Å; F425-Q450 HydrophobicContact CZ-CB 3.75Å; N448-Q450 PolarHBondContact ND2-OE1 2.95Å; N448-Q450 PolarHBondContact O-N 2.82Å; N448-Q450 WeakPolarHBondContact OD1-CB 3.26Å; N448-Q450 WeakPolarHBondContact OD1-CG 3.3Å; N448-Q450 PolarHBondContact OD1-N 3.08Å; Q450-V452 PolarHBondContact O-N 2.91Å
451	Q	88.1	Confident	90.4	Very high	186 Å²	186	57.9 Å²	57.9	87%	0.869	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-72.7	117.7	174.2	-174.5	174.2	5.3	0	0	109.7
452	V	91.9	Very high	89.7	Confident	30 Å²	30	62.4 Å²	62.4	18%	0.182	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-70.9	140.8	170.3	-179.8	0	0	0	0	109	V374 L378 F425 L445 Q450	V374-V452 HydrophobicContact CG1-CG1 4.03Å; V374-V452 HydrophobicContact CG2-CG1 3.86Å; L378-V452 HydrophobicContact CD2-CG2 3.73Å; F425-V452 HydrophobicContact CD1-CG2 4.23Å; F425-V452 HydrophobicContact CE1-CG2 3.63Å; F425-V452 HydrophobicContact CZ-CG2 4.23Å; L445-V452 HydrophobicContact CD1-CG1 3.93Å; L445-V452 HydrophobicContact CD1-CG2 4.09Å; Q450-V452 PolarHBondContact O-N 2.91Å
453	P	93.8	Very high	89	Confident	30 Å²	30	64 Å²	64	20%	0.195	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-57.9	164.1	173.8	-24.9	34.4	0	0	0	113.1	D355 V374 F412	D355-P453 WeakPolarHBondContact O-CB 3.43Å; D355-P453 WeakPolarHBondContact O-CG 3.31Å; V374-P453 HydrophobicContact CG2-CB 4.17Å; V374-P453 HydrophobicContact CG2-CG 4.39Å; F412-P453 HydrophobicContact CB-CG 3.74Å; F412-P453 HydrophobicContact CD1-CG 4.07Å; F412-P453 HydrophobicContact CD2-CG 3.78Å; F412-P453 HydrophobicContact CE2-CG 4.42Å; F412-P453 HydrophobicContact CG-CG 3.59Å
454	M	93.2	Very high	88.5	Confident	111 Å²	111	65.5 Å²	65.5	55%	0.547	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-62.7	147.7	178.9	-62.9	-160.2	-47.6	0	0	112.2	H352 S356	H352-M454 WeakPolarHBondContact NE2-CE 3.36Å; S356-M454 VanDerWaalsContact CB-O 3.26Å; S356-M454 WeakPolarHBondContact CB-O 3.2Å; S356-M454 PolarHBondContact OG-O 3.05Å
455	E	94.6	Very high	87.7	Confident	68 Å²	68	70.3 Å²	70.3	32%	0.318	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-66.7	142.6	176.7	56.7	-167.7	-127.8	0	0	113.8	R353 V374 K376 G377	R353-E455 PolarHBondContact NH1-O 3.34Å; V374-E455 HydrophobicContact CG1-CB 4.27Å; K376-E455 WeakPolarHBondContact CE-OE1 3.41Å; K376-E455 WeakPolarHBondContact CG-OE2 3.36Å; G377-E455 PolarHBondContact N-OE2 3.43Å
456	L	95.2	Very high	87.1	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.005	41%	0.414	C	S	.	.	S	Bend	trans	-82.2	-27.7	176.4	-68	-163.7	0	0	0	113.2	R353 S356 F373 V374 N458 P544 F546 L552	R353-L456 HydrophobicContact CB-CD2 4.2Å; R353-L456 VanDerWaalsContact CD-CD2 3.4Å; R353-L456 HydrophobicContact CG-CD2 4.45Å; S356-L456 VanDerWaalsContact CB-CD2 3.47Å; F373-L456 HydrophobicContact CB-CD1 3.66Å; F373-L456 HydrophobicContact CB-CG 4.45Å; F373-L456 HydrophobicContact CD2-CB 4.02Å; F373-L456 HydrophobicContact CD2-CD1 3.64Å; F373-L456 HydrophobicContact CD2-CG 4.13Å; F373-L456 HydrophobicContact CE2-CB 4.45Å; F373-L456 HydrophobicContact CE2-CD1 4.49Å; F373-L456 HydrophobicContact CG-CD1 3.84Å; V374-L456 WeakPolarHBondContact O-CB 3.1Å; V374-L456 PolarHBondContact O-N 3.25Å; L456-N458 PolarHBondContact O-N 3.46Å; L456-P544 HydrophobicContact CD1-CB 3.81Å; L456-P544 HydrophobicContact CD1-CG 3.76Å; L456-F546 HydrophobicContact CD1-CE1 4.21Å; L456-F546 HydrophobicContact CD1-CZ 3.76Å; L456-F546 HydrophobicContact CD2-CE1 4.37Å; L456-F546 HydrophobicContact CD2-CZ 4.33Å; L456-L552 HydrophobicContact CB-CD2 4.17Å
457	Y	90.4	Very high	86.5	Confident	33 Å²	33	70.3 Å²	70.3	13%	0.129	41%	0.408	C	S	.	.			trans	-69	130.3	176.6	-179.3	-102.3	0	0	0	111.6	F375 K376 G459 L582 F597	F375-Y457 HydrophobicContact CE2-CD2 4.03Å; F375-Y457 HydrophobicContact CE2-CG 4.17Å; F375-Y457 WeakPolarHBondContact O-CB 3.19Å; F375-Y457 PolarHBondContact O-N 2.95Å; K376-Y457 HydrophobicContact CD-CD1 4.47Å; Y457-G459 WeakPolarHBondContact CE2-O 3.46Å; Y457-L582 HydrophobicContact CD2-CD1 4.13Å; Y457-L582 HydrophobicContact CD2-CD2 4.21Å; Y457-L582 HydrophobicContact CE2-CD1 3.51Å; Y457-L582 HydrophobicContact CE2-CD2 3.73Å; Y457-L582 HydrophobicContact CE2-CG 4.3Å; Y457-F597 AromaticContact CD1-CD1 3.89Å; Y457-F597 HydrophobicContact CD1-CD1 3.89Å; Y457-F597 AromaticContact CD1-CE1 3.52Å; Y457-F597 HydrophobicContact CD1-CE1 3.52Å; Y457-F597 AromaticContact CE1-CD1 3.46Å; Y457-F597 HydrophobicContact CE1-CD1 3.46Å; Y457-F597 VanDerWaalsContact CE1-CD1 3.46Å; Y457-F597 AromaticContact CE1-CE1 3.5Å; Y457-F597 HydrophobicContact CE1-CE1 3.5Å; Y457-F597 HydrophobicContact CG-CE1 4.02Å
458	N	84.1	Confident	86.5	Confident	98 Å²	98	64 Å²	64	52%	0.524	38%	0.379	S	S	.	.			trans	-143.2	25.4	173.2	67.9	-17.5	0	0	0	112.8	L456	L456-N458 PolarHBondContact O-N 3.46Å
459	G	80.9	Confident	86.9	Confident	25 Å²	25	60.9 Å²	60.9	26%	0.258	36%	0.362	S	S	.	.	S	Bend	trans	120.7	176.9	-174.9	0	0	0	0	0	113.2	Y457	Y457-G459 WeakPolarHBondContact CE2-O 3.46Å
460	I	76.5	Confident	87.6	Confident	67 Å²	67	57.2 Å²	57.2	34%	0.344	32%	0.322	S	S	.	.			trans	-81.9	121.4	173	-63.4	168.2	0	0	0	108.4	E579 L582	I460-E579 HydrophobicContact CG2-CB 4.19Å; I460-E579 HydrophobicContact CG2-CG 4.07Å; I460-L582 HydrophobicContact CG1-CD1 3.76Å
461	T	82.7	Confident	88.1	Confident	28 Å²	28	54 Å²	54	17%	0.172	31%	0.308	C	S	.	.			trans	-108	123.3	168	-59.2	0	0	0	0	108.8	V553	T461-V553 HydrophobicContact CG2-CG1 3.63Å
462	P	83.9	Confident	88.6	Confident	95 Å²	95	45.3 Å²	45.3	62%	0.617	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-66.5	142	178.4	28	-34.8	0	0	0	110.9
463	V	85.3	Confident	88.8	Confident	34 Å²	34	43.9 Å²	43.9	21%	0.206	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-69	134.7	-174.5	178.2	0	0	0	0	111.8	L465 I530 V553 T577	V463-L465 PolarHBondContact O-N 3.26Å; V463-I530 HydrophobicContact CG1-CB 3.9Å; V463-I530 HydrophobicContact CG1-CD1 3.52Å; V463-I530 HydrophobicContact CG1-CG1 4.02Å; V463-V553 HydrophobicContact CG2-CB 4.38Å; V463-T577 HydrophobicContact CB-CG2 4.48Å; V463-T577 HydrophobicContact CG2-CG2 3.54Å
464	P	85.9	Confident	88.8	Confident	32 Å²	32	42.5 Å²	42.5	21%	0.208	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-67	120.1	176.4	26.2	-33.8	0	0	0	111.4	S466 I469 V487 D547	P464-S466 PolarHBondContact O-N 3.08Å; P464-S466 VanDerWaalsContact O-N 3.17Å; P464-I469 HydrophobicContact CG-CG2 3.78Å; P464-V487 HydrophobicContact CG-CG2 4.34Å; P464-D547 HydrophobicContact CG-CB 4.39Å
465	L	81.9	Confident	88.7	Confident	152 Å²	152	37.6 Å²	37.6	80%	0.796	23%	0.225	S	C	*	.	S	Bend	trans	-61.9	-22.6	177.8	-61.3	177.2	0	0	0	113.9	V463 P489	V463-L465 PolarHBondContact O-N 3.26Å; L465-P489 WeakPolarHBondContact O-CB 3.37Å; L465-P489 WeakPolarHBondContact O-CG 3.45Å
466	S	83.6	Confident	88.3	Confident	81 Å²	81	39.7 Å²	39.7	57%	0.566	23%	0.231	S	C	*	.	S	Bend	trans	-161.7	164.3	175.7	67.4	0	0	0	0	109.9	P464	P464-S466 PolarHBondContact O-N 3.08Å; P464-S466 VanDerWaalsContact O-N 3.17Å
467	G	83.8	Confident	87.9	Confident	38 Å²	38	39.9 Å²	39.9	39%	0.392	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	118.9	-156.1	174.5	0	0	0	0	0	113	A486 V487	G467-A486 WeakPolarHBondContact O-CA 3.44Å; G467-V487 PolarHBondContact O-N 2.52Å
468	L	88.8	Confident	87.7	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.6	-179.3	-166.1	76.1	0	0	0	110	N340 A484 S548	N340-L468 HydrophobicContact CB-CD1 3.97Å; L468-A484 HydrophobicContact CD1-CB 4.25Å; L468-A484 WeakPolarHBondContact CD1-O 3.07Å; L468-S548 PolarHBondContact O-N 2.84Å
469	I	93.6	Very high	88	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.			trans	-120.7	169.4	167.6	50.6	155.8	0	0	0	109.1	P464 A484 C485 V487 I530 Y532 V545 F546	P464-I469 HydrophobicContact CG-CG2 3.78Å; I469-A484 CarbonylContact O-C 3.2Å; I469-A484 WeakPolarHBondContact O-CA 3Å; I469-C485 VanDerWaalsContact CD1-SG 3.51Å; I469-C485 WeakPolarHBondContact CG1-O 3.42Å; I469-C485 VanDerWaalsContact CG1-SG 3.59Å; I469-C485 PolarHBondContact N-O 2.92Å; I469-C485 PolarHBondContact O-N 3.41Å; I469-V487 HydrophobicContact CB-CG2 4.37Å; I469-V487 HydrophobicContact CD1-CG2 4.36Å; I469-V487 HydrophobicContact CG1-CG2 3.97Å; I469-V487 HydrophobicContact CG2-CG2 3.57Å; I469-I530 HydrophobicContact CD1-CD1 4.35Å; I469-I530 HydrophobicContact CG2-CD1 4.19Å; I469-Y532 HydrophobicContact CD1-CD1 3.24Å; I469-Y532 HydrophobicContact CD1-CE1 3.84Å; I469-Y532 HydrophobicContact CD1-CG 3.69Å; I469-V545 HydrophobicContact CB-CG1 4.13Å; I469-V545 HydrophobicContact CD1-CG1 3.62Å; I469-V545 HydrophobicContact CG1-CG1 4.47Å; I469-F546 CarbonylContact C-O 3.58Å; I469-F546 VanDerWaalsContact CA-O 3.24Å; I469-F546 WeakPolarHBondContact CA-O 3.28Å; I469-F546 VanDerWaalsContact CB-O 3.31Å; I469-F546 WeakPolarHBondContact CB-O 3.48Å
470	H	95.3	Very high	88.7	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.9	177.2	-55.7	89.6	0	0	0	110	S342 L350 I482 D483 V545 F546 D547	S342-H470 PolarHBondContact OG-NE2 2.61Å; L350-H470 HydrophobicContact CD1-CB 4.02Å; L350-H470 HydrophobicContact CD2-CB 4.09Å; H470-I482 HydrophobicContact CB-CD1 4.24Å; H470-I482 HydrophobicContact CB-CG1 4.4Å; H470-D483 CarbonylContact C-O 3.55Å; H470-D483 WeakPolarHBondContact CA-O 3.44Å; H470-V545 WeakPolarHBondContact O-CA 3.36Å; H470-F546 HydrophobicContact CB-CB 4.49Å; H470-F546 PolarHBondContact CE1-O 2.95Å; H470-F546 PolarHBondContact N-O 3.06Å; H470-F546 PolarHBondContact O-N 3.03Å; H470-D547 PolarHBondContact CE1-O 3.4Å
471	I	97	Very high	89.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.8	175.4	-45.9	178.9	0	0	0	107.2	I482 D483 Y532 T534 F536 V545 H556	I471-I482 CarbonylContact O-C 3.57Å; I471-I482 VanDerWaalsContact O-CA 3.29Å; I471-I482 WeakPolarHBondContact O-CA 3.46Å; I471-D483 PolarHBondContact N-O 3.29Å; I471-D483 PolarHBondContact O-N 2.98Å; I471-Y532 HydrophobicContact CD1-CD2 3.76Å; I471-Y532 HydrophobicContact CD1-CE1 4.35Å; I471-Y532 HydrophobicContact CD1-CE2 3.33Å; I471-Y532 HydrophobicContact CD1-CG 4.43Å; I471-T534 HydrophobicContact CD1-CG2 3.96Å; I471-F536 HydrophobicContact CB-CD1 3.98Å; I471-F536 HydrophobicContact CB-CE1 3.96Å; I471-F536 HydrophobicContact CG2-CD1 3.45Å; I471-F536 VanDerWaalsContact CG2-CD1 3.45Å; I471-F536 HydrophobicContact CG2-CE1 3.64Å; I471-F536 HydrophobicContact CG2-CG 4.34Å; I471-F536 WeakPolarHBondContact O-CZ 3.48Å; I471-V545 HydrophobicContact CG1-CG1 4.35Å; I471-V545 HydrophobicContact CG1-CG2 4.24Å; I471-V545 HydrophobicContact CG2-CG2 4.42Å; I471-H556 HydrophobicContact CG2-CB 4.19Å
472	I	97.4	Very high	90.1	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.5	179.2	-54.7	-177.8	0	0	0	108.9	L350 V357 K480 H481 I482 S543 P544 F546	L350-I472 HydrophobicContact CB-CD1 4.24Å; L350-I472 HydrophobicContact CD2-CD1 4.24Å; V357-I472 HydrophobicContact CB-CG2 4.21Å; V357-I472 HydrophobicContact CG1-CG2 4.26Å; V357-I472 HydrophobicContact CG2-CB 4.19Å; V357-I472 HydrophobicContact CG2-CG2 3.88Å; I472-K480 HydrophobicContact CG2-CD 4.4Å; I472-K480 HydrophobicContact CG2-CG 4.35Å; I472-H481 WeakPolarHBondContact CA-O 3.06Å; I472-I482 HydrophobicContact CD1-CD1 3.96Å; I472-I482 HydrophobicContact CD1-CG1 4.47Å; I472-I482 HydrophobicContact CG1-CB 4.16Å; I472-I482 HydrophobicContact CG1-CD1 3.92Å; I472-I482 HydrophobicContact CG1-CG1 3.88Å; I472-S543 VanDerWaalsContact O-CB 3.27Å; I472-S543 WeakPolarHBondContact O-CB 3.41Å; I472-S543 PolarHBondContact O-OG 3.19Å; I472-P544 PolarHBondContact N-O 3.49Å; I472-P544 WeakPolarHBondContact O-CD 3.3Å; I472-F546 HydrophobicContact CB-CE2 4.24Å; I472-F546 HydrophobicContact CD1-CD2 4.05Å; I472-F546 HydrophobicContact CD1-CE2 3.66Å; I472-F546 HydrophobicContact CG1-CD2 4.16Å; I472-F546 HydrophobicContact CG1-CE2 3.91Å
473	G	96.3	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-160.9	-176.8	0	0	0	0	0	114.6	P475 K480 H481 S543	G473-P475 VanDerWaalsContact C-CD 3.43Å; G473-P475 WeakPolarHBondContact O-CD 3.49Å; G473-K480 WeakPolarHBondContact O-CA 2.77Å; G473-H481 PolarHBondContact N-O 3.38Å; G473-H481 VanDerWaalsContact N-O 3.08Å; G473-H481 PolarHBondContact O-N 3.07Å; G473-S543 WeakPolarHBondContact CA-OG 3.36Å
474	H	93.7	Very high	90.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.			trans	-117.8	68.4	-169.8	-66.5	-80.4	0	0	0	112.8	Y359 T371 Y414 Y476 G477 D478 G539	Y359-H474 HydrophobicContact CD2-CB 3.92Å; Y359-H474 AromaticContact CD2-CG 3.77Å; T371-H474 PolarHBondContact OG1-N 3.35Å; Y414-H474 AromaticContact CD1-CE1 3.53Å; Y414-H474 AromaticContact CD1-ND1 3.58Å; Y414-H474 AromaticContact CE1-ND1 3.95Å; Y414-H474 PolarHBondContact O-CE1 3.03Å; Y414-H474 VanDerWaalsContact O-CE1 3.25Å; H474-Y476 PolarHBondContact O-N 2.95Å; H474-G477 PolarHBondContact O-N 2.79Å; H474-D478 PolarHBondContact ND1-O 2.91Å; H474-D478 VanDerWaalsContact ND1-O 3.12Å; H474-G539 CarbonylContact O-C 3.58Å
475	P	91.4	Very high	91	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.052	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.9	137.7	172.3	29.3	-34.9	0	0	0	110.1	G473 G477 D478 H481 F536 A540	G473-P475 VanDerWaalsContact C-CD 3.43Å; G473-P475 WeakPolarHBondContact O-CD 3.49Å; P475-G477 PolarHBondContact O-N 2.93Å; P475-G477 VanDerWaalsContact O-N 3.09Å; P475-D478 PolarHBondContact O-N 3.31Å; P475-D478 VanDerWaalsContact O-N 3.15Å; P475-H481 HydrophobicContact CG-CB 3.91Å; P475-F536 HydrophobicContact CB-CD2 4.43Å; P475-F536 HydrophobicContact CB-CG 4.45Å; P475-F536 HydrophobicContact CG-CD2 4.2Å; P475-F536 HydrophobicContact CG-CE2 4.13Å; P475-F536 HydrophobicContact CG-CZ 4.41Å; P475-A540 HydrophobicContact CB-CB 4.42Å
476	Y	87.8	Confident	91.3	Very high	112 Å²	112	36.6 Å²	36.6	44%	0.439	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	58.1	7.1	-172	-56.9	-80.3	0	0	0	116.1	H474 D478 F537 F538	H474-Y476 PolarHBondContact O-N 2.95Å; Y476-D478 PolarHBondContact O-N 2.91Å; Y476-F537 HydrophobicContact CE1-CB 4.41Å; Y476-F537 HydrophobicContact CE2-CB 4.41Å; Y476-F537 AromaticContact CE2-CD2 3.97Å; Y476-F537 HydrophobicContact CE2-CD2 3.97Å; Y476-F537 AromaticContact CZ-CD2 3.75Å; Y476-F537 WeakPolarHBondContact OH-CD2 3.27Å; Y476-F538 VanDerWaalsContact CA-O 3.3Å; Y476-F538 WeakPolarHBondContact CA-O 3.45Å; Y476-F538 HydrophobicContact CD1-CD2 4.46Å; Y476-F538 AromaticContact CE1-CD2 3.99Å; Y476-F538 HydrophobicContact CE1-CD2 3.99Å; Y476-F538 PolarHBondContact N-O 2.95Å
477	G	86.3	Confident	91.6	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	74.2	8.9	-170.2	0	0	0	0	0	114.2	Y359 C369 Y414 H474 P475	Y359-G477 WeakPolarHBondContact CE2-O 3.39Å; C369-G477 WeakPolarHBondContact SG-CA 3.2Å; Y414-G477 PolarHBondContact OH-O 3.3Å; H474-G477 PolarHBondContact O-N 2.79Å; P475-G477 PolarHBondContact O-N 2.93Å; P475-G477 VanDerWaalsContact O-N 3.09Å
478	D	86.1	Confident	91.9	Very high	83 Å²	83	32 Å²	32	44%	0.444	17%	0.168	S	C	.	.			trans	-81.4	-164.2	179.2	-75.7	-37.4	0	0	0	110.9	Y414 H474 P475 Y476	Y414-D478 WeakPolarHBondContact CE1-O 3.23Å; H474-D478 PolarHBondContact ND1-O 2.91Å; H474-D478 VanDerWaalsContact ND1-O 3.12Å; P475-D478 PolarHBondContact O-N 3.31Å; P475-D478 VanDerWaalsContact O-N 3.15Å; Y476-D478 PolarHBondContact O-N 2.91Å
479	K	90.7	Very high	91.9	Very high	91 Å²	91	32.5 Å²	32.5	40%	0.396	17%	0.171	S	C	.	.	S	Bend	trans	-42.9	145.9	173	46	168.8	169.7	-179.2	0	113.9	E415 E416 H481	E415-K479 CarbonylContact O-C 3.3Å; E415-K479 WeakPolarHBondContact O-CA 3.24Å; E415-K479 WeakPolarHBondContact O-CB 3.34Å; E416-K479 HydrophobicContact CG-CB 4.34Å; K479-H481 VanDerWaalsContact CE-NE2 3.28Å; K479-H481 WeakPolarHBondContact CE-NE2 3.3Å; K479-H481 PolarHBondContact O-CD2 2.89Å; K479-H481 PolarHBondContact O-N 2.83Å
480	K	94	Very high	91.5	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.126	19%	0.191	C	C	.	.			trans	-63.6	122.7	177.4	-162.5	179.1	-68.3	172.6	0	109.1	S354 V357 F412 Y414 E415 I472 G473	S354-K480 PolarHBondContact O-NZ 3.45Å; V357-K480 VanDerWaalsContact O-CE 3.31Å; V357-K480 WeakPolarHBondContact O-CE 3.5Å; V357-K480 PolarHBondContact O-NZ 3.47Å; F412-K480 PolarHBondContact O-NZ 2.86Å; Y414-K480 WeakPolarHBondContact O-CE 3.36Å; E415-K480 PolarHBondContact O-N 2.81Å; I472-K480 HydrophobicContact CG2-CD 4.4Å; I472-K480 HydrophobicContact CG2-CG 4.35Å; G473-K480 WeakPolarHBondContact O-CA 2.77Å
481	H	94.3	Very high	90.9	Very high	73 Å²	73	40.2 Å²	40.2	34%	0.338	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	156.9	-179.4	-88.6	-75.8	0	0	0	111.5	I472 G473 P475 K479 F536	I472-H481 WeakPolarHBondContact CA-O 3.06Å; G473-H481 PolarHBondContact N-O 3.38Å; G473-H481 VanDerWaalsContact N-O 3.08Å; G473-H481 PolarHBondContact O-N 3.07Å; P475-H481 HydrophobicContact CG-CB 3.91Å; K479-H481 VanDerWaalsContact CE-NE2 3.28Å; K479-H481 WeakPolarHBondContact CE-NE2 3.3Å; K479-H481 PolarHBondContact O-CD2 2.89Å; K479-H481 PolarHBondContact O-N 2.83Å; H481-F536 HydrophobicContact CB-CE2 3.81Å; H481-F536 HydrophobicContact CB-CZ 3.67Å
482	I	94.4	Very high	90.3	Very high	92 Å²	92	45.7 Å²	45.7	47%	0.472	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.7	162.1	-178.8	168.2	0	0	0	108.9	L350 H470 I471 I472	L350-I482 HydrophobicContact CB-CD1 3.95Å; L350-I482 HydrophobicContact CD1-CD1 4.03Å; L350-I482 HydrophobicContact CG-CD1 4.44Å; H470-I482 HydrophobicContact CB-CD1 4.24Å; H470-I482 HydrophobicContact CB-CG1 4.4Å; I471-I482 CarbonylContact O-C 3.57Å; I471-I482 VanDerWaalsContact O-CA 3.29Å; I471-I482 WeakPolarHBondContact O-CA 3.46Å; I472-I482 HydrophobicContact CD1-CD1 3.96Å; I472-I482 HydrophobicContact CD1-CG1 4.47Å; I472-I482 HydrophobicContact CG1-CB 4.16Å; I472-I482 HydrophobicContact CG1-CD1 3.92Å; I472-I482 HydrophobicContact CG1-CG1 3.88Å
483	D	93.7	Very high	89.9	Confident	44 Å²	44	46.2 Å²	46.2	24%	0.235	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.5	169.2	-176.9	29.9	0	0	0	110.6	H470 I471 T534 F536	H470-D483 CarbonylContact C-O 3.55Å; H470-D483 WeakPolarHBondContact CA-O 3.44Å; I471-D483 PolarHBondContact N-O 3.29Å; I471-D483 PolarHBondContact O-N 2.98Å; D483-T534 WeakPolarHBondContact OD2-CA 3.3Å; D483-T534 WeakPolarHBondContact OD2-CB 3.39Å; D483-T534 PolarHBondContact OD2-OG1 3.13Å; D483-F536 HydrophobicContact CB-CD2 3.79Å; D483-F536 HydrophobicContact CB-CE2 3.46Å; D483-F536 VanDerWaalsContact CB-CE2 3.46Å; D483-F536 HydrophobicContact CB-CZ 4.15Å
484	A	91.4	Very high	89.4	Confident	41 Å²	41	48.1 Å²	48.1	34%	0.339	27%	0.273	S	S	.	.			trans	-118.3	75.8	-177.9	0	0	0	0	0	109.6	L468 I469	L468-A484 HydrophobicContact CD1-CB 4.25Å; L468-A484 WeakPolarHBondContact CD1-O 3.07Å; I469-A484 CarbonylContact O-C 3.2Å; I469-A484 WeakPolarHBondContact O-CA 3Å
485	C	88.7	Confident	88.9	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.034	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-93.5	159.2	-171.5	54.3	0	0	0	0	113.7	I469 D533	I469-C485 VanDerWaalsContact CD1-SG 3.51Å; I469-C485 WeakPolarHBondContact CG1-O 3.42Å; I469-C485 VanDerWaalsContact CG1-SG 3.59Å; I469-C485 PolarHBondContact N-O 2.92Å; I469-C485 PolarHBondContact O-N 3.41Å; C485-D533 WeakPolarHBondContact CB-O 3.26Å
486	A	89	Confident	88.5	Confident	36 Å²	36	55.1 Å²	55.1	30%	0.298	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.7	178.8	0	0	0	0	0	111.1	T338 G467 I488 Y532	T338-A486 HydrophobicContact CG2-CB 4.2Å; G467-A486 WeakPolarHBondContact O-CA 3.44Å; A486-I488 PolarHBondContact O-N 3.41Å; A486-Y532 WeakPolarHBondContact O-CB 3.29Å
487	V	90.5	Very high	88.1	Confident	14 Å²	14	50 Å²	50	9%	0.085	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	128.7	172.1	-176.4	0	0	0	0	109.6	P464 G467 I469 P489 I530	P464-V487 HydrophobicContact CG-CG2 4.34Å; G467-V487 PolarHBondContact O-N 2.52Å; I469-V487 HydrophobicContact CB-CG2 4.37Å; I469-V487 HydrophobicContact CD1-CG2 4.36Å; I469-V487 HydrophobicContact CG1-CG2 3.97Å; I469-V487 HydrophobicContact CG2-CG2 3.57Å; V487-P489 WeakPolarHBondContact O-CD 3.13Å; V487-I530 HydrophobicContact CG1-CD1 4.09Å; V487-I530 HydrophobicContact CG1-CG1 4.06Å; V487-I530 HydrophobicContact CG2-CD1 3.81Å
488	I	89.7	Confident	87.8	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.051	30%	0.298	C	S	.	.			trans	-87.2	111.4	168.5	-58.3	156.6	0	0	0	106.6	A486 Q492 R493 K496 T531 Y532 I572	A486-I488 PolarHBondContact O-N 3.41Å; I488-Q492 HydrophobicContact CG2-CB 4.4Å; I488-R493 HydrophobicContact CG2-CG 4.11Å; I488-K496 HydrophobicContact CD1-CD 3.65Å; I488-K496 HydrophobicContact CG1-CD 3.84Å; I488-K496 HydrophobicContact CG2-CD 4.2Å; I488-T531 PolarHBondContact N-O 2.85Å; I488-T531 PolarHBondContact O-OG1 3.23Å; I488-Y532 VanDerWaalsContact CD1-O 3.22Å; I488-Y532 WeakPolarHBondContact CD1-O 3.28Å; I488-I572 HydrophobicContact CD1-CD1 3.8Å; I488-I572 HydrophobicContact CD1-CG1 3.66Å; I488-I572 HydrophobicContact CG2-CD1 4.32Å
489	P	87.9	Confident	87.4	Confident	29 Å²	29	54.3 Å²	54.3	19%	0.188	30%	0.299	C	S	.	.			trans	-64.3	149.2	-179.8	-21.7	34.4	0	0	0	111.3	L465 V487 G491 Q492 R493	L465-P489 WeakPolarHBondContact O-CB 3.37Å; L465-P489 WeakPolarHBondContact O-CG 3.45Å; V487-P489 WeakPolarHBondContact O-CD 3.13Å; P489-G491 VanDerWaalsContact C-N 3.31Å; P489-G491 PolarHBondContact O-N 3.28Å; P489-Q492 HydrophobicContact CB-CG 4.29Å; P489-Q492 HydrophobicContact CG-CG 4.33Å; P489-Q492 WeakPolarHBondContact O-CA 3.08Å; P489-Q492 WeakPolarHBondContact O-CB 3.49Å; P489-Q492 PolarHBondContact O-N 3.24Å; P489-R493 PolarHBondContact O-N 3.09Å
490	Q	85.1	Confident	86.5	Confident	87 Å²	87	52.4 Å²	52.4	41%	0.407	29%	0.292	S	S	.	.	H	α-helix	trans	-49.9	-48.5	-177.9	-167.8	-177.1	13.5	0	0	112.8	Q492 R493 H525	Q490-Q492 PolarHBondContact O-N 3.03Å; Q490-R493 WeakPolarHBondContact O-CB 3.33Å; Q490-R493 PolarHBondContact O-N 3.4Å; Q490-R493 VanDerWaalsContact O-N 3.12Å; Q490-H525 PolarHBondContact NE2-O 2.98Å
491	G	83.7	Confident	85.4	Confident	82 Å²	82	52.7 Å²	52.7	85%	0.845	29%	0.294	S	S	*	.	H	α-helix	trans	-64.5	-6.4	176.4	0	0	0	0	0	115.9	P489	P489-G491 VanDerWaalsContact C-N 3.31Å; P489-G491 PolarHBondContact O-N 3.28Å
492	Q	85.3	Confident	84	Confident	114 Å²	114	54.3 Å²	54.3	53%	0.533	30%	0.302	S	S	.	.	H	α-helix	trans	-108.3	-14	175.7	-57	-173.1	20.7	0	0	113.3	I488 P489 Q490 A494 K495 K496	I488-Q492 HydrophobicContact CG2-CB 4.4Å; P489-Q492 HydrophobicContact CB-CG 4.29Å; P489-Q492 HydrophobicContact CG-CG 4.33Å; P489-Q492 WeakPolarHBondContact O-CA 3.08Å; P489-Q492 WeakPolarHBondContact O-CB 3.49Å; P489-Q492 PolarHBondContact O-N 3.24Å; Q490-Q492 PolarHBondContact O-N 3.03Å; Q492-A494 PolarHBondContact O-N 2.83Å; Q492-K495 PolarHBondContact O-N 2.85Å; Q492-K496 PolarHBondContact O-N 3.08Å
493	R	87.2	Confident	82.4	Confident	14 Å²	14	52.5 Å²	52.5	5%	0.053	30%	0.297	C	S	.	.	H	α-helix	trans	-54	-56.8	-176.6	-67.3	176.5	-174.9	167.4	5.6	112.3	I488 P489 Q490 K495 K496 C497 I523 V524 N526 V529 T531 I572	I488-R493 HydrophobicContact CG2-CG 4.11Å; P489-R493 PolarHBondContact O-N 3.09Å; Q490-R493 WeakPolarHBondContact O-CB 3.33Å; Q490-R493 PolarHBondContact O-N 3.4Å; Q490-R493 VanDerWaalsContact O-N 3.12Å; R493-K495 VanDerWaalsContact C-N 3.28Å; R493-K495 PolarHBondContact O-N 3.05Å; R493-K496 PolarHBondContact O-N 3.39Å; R493-K496 VanDerWaalsContact O-N 3.09Å; R493-C497 PolarHBondContact O-N 3.31Å; R493-C497 PolarHBondContact O-SG 3.27Å; R493-I523 WeakPolarHBondContact CD-O 3.27Å; R493-I523 PolarHBondContact NH1-O 3.09Å; R493-V524 HydrophobicContact CB-CB 4.49Å; R493-V524 HydrophobicContact CB-CG2 4.18Å; R493-N526 PolarHBondContact NH1-O 2.84Å; R493-V529 PolarHBondContact NH2-O 3.1Å; R493-T531 HydrophobicContact CG-CG2 4.3Å; R493-T531 VanDerWaalsContact NE-CG2 3.34Å; R493-T531 PolarHBondContact NE-OG1 3.18Å; R493-I572 HydrophobicContact CB-CD1 4.31Å; R493-I572 HydrophobicContact CG-CD1 4.16Å
494	A	85.9	Confident	80.7	Confident	41 Å²	41	52 Å²	52	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-53.5	-45.1	179.3	0	0	0	0	0	112.6	Q492 Q498 V524	Q492-A494 PolarHBondContact O-N 2.83Å; A494-Q498 WeakPolarHBondContact O-CB 3.33Å; A494-Q498 PolarHBondContact O-N 2.79Å; A494-V524 HydrophobicContact CB-CG1 3.65Å; A494-V524 HydrophobicContact CB-CG2 4.26Å
495	K	84.6	Confident	78.9	Confident	121 Å²	121	55.8 Å²	55.8	53%	0.526	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-45.2	178.3	-179	-176.4	166.3	-168.5	0	111.4	Q492 R493 Q498 E499	Q492-K495 PolarHBondContact O-N 2.85Å; R493-K495 VanDerWaalsContact C-N 3.28Å; R493-K495 PolarHBondContact O-N 3.05Å; K495-Q498 PolarHBondContact O-N 2.73Å; K495-E499 WeakPolarHBondContact CE-OE1 3.43Å; K495-E499 HydrophobicContact CG-CG 4.36Å; K495-E499 IonicContact NZ-OE1 3.27Å; K495-E499 PolarHBondContact NZ-OE1 2.98Å; K495-E499 WeakPolarHBondContact O-CG 3.16Å; K495-E499 PolarHBondContact O-N 2.84Å
496	K	82.4	Confident	77.2	Confident	34 Å²	34	59.8 Å²	59.8	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-38.7	-179.1	179.8	165.2	171	173.5	0	112.5	I488 Q492 R493 H500 D533	I488-K496 HydrophobicContact CD1-CD 3.65Å; I488-K496 HydrophobicContact CG1-CD 3.84Å; I488-K496 HydrophobicContact CG2-CD 4.2Å; Q492-K496 PolarHBondContact O-N 3.08Å; R493-K496 PolarHBondContact O-N 3.39Å; R493-K496 VanDerWaalsContact O-N 3.09Å; K496-H500 PolarHBondContact O-N 2.64Å; K496-H500 VanDerWaalsContact O-N 3.13Å; K496-H500 PolarHBondContact O-ND1 2.78Å; K496-D533 VanDerWaalsContact NZ-CB 3.31Å; K496-D533 IonicContact NZ-OD1 2.7Å; K496-D533 IonicContact NZ-OD2 3.73Å; K496-D533 PolarHBondContact NZ-OD2 2.92Å
497	C	80.1	Confident	75.5	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.034	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-45.9	172	-59.5	0	0	0	0	111	R493 H500 I501 F520 I571	R493-C497 PolarHBondContact O-N 3.31Å; R493-C497 PolarHBondContact O-SG 3.27Å; C497-H500 PolarHBondContact O-N 3.35Å; C497-I501 WeakPolarHBondContact O-CG1 3.47Å; C497-I501 PolarHBondContact O-N 3.4Å; C497-I501 VanDerWaalsContact O-N 3.1Å; C497-F520 HydrophobicContact CB-CD1 4.13Å; C497-F520 HydrophobicContact CB-CD2 4.11Å; C497-F520 HydrophobicContact CB-CE1 4.35Å; C497-F520 HydrophobicContact CB-CE2 4.37Å; C497-F520 HydrophobicContact CB-CG 4Å; C497-F520 HydrophobicContact CB-CZ 4.47Å; C497-F520 VanDerWaalsContact SG-CD1 3.58Å; C497-I571 HydrophobicContact CB-CG2 4.42Å
498	Q	79.9	Confident	73.6	Confident	80 Å²	80	64.7 Å²	64.7	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-44.5	178.3	-174.4	175.5	16.2	0	0	112.5	A494 K495 H500 I501 Q502	A494-Q498 WeakPolarHBondContact O-CB 3.33Å; A494-Q498 PolarHBondContact O-N 2.79Å; K495-Q498 PolarHBondContact O-N 2.73Å; Q498-H500 VanDerWaalsContact C-N 3.31Å; Q498-H500 PolarHBondContact O-N 3.25Å; Q498-I501 PolarHBondContact O-N 2.73Å; Q498-Q502 HydrophobicContact CG-CG 4.35Å; Q498-Q502 WeakPolarHBondContact O-CB 3.39Å; Q498-Q502 WeakPolarHBondContact O-CG 3.23Å; Q498-Q502 PolarHBondContact O-N 3.44Å
499	E	77.6	Confident	71.8	Confident	99 Å²	99	68.5 Å²	68.5	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-39.3	176.8	-76.2	178.4	153.3	0	0	111.6	K495 S503	K495-E499 WeakPolarHBondContact CE-OE1 3.43Å; K495-E499 HydrophobicContact CG-CG 4.36Å; K495-E499 IonicContact NZ-OE1 3.27Å; K495-E499 PolarHBondContact NZ-OE1 2.98Å; K495-E499 WeakPolarHBondContact O-CG 3.16Å; K495-E499 PolarHBondContact O-N 2.84Å; E499-S503 WeakPolarHBondContact O-CB 3.33Å; E499-S503 PolarHBondContact O-N 2.91Å; E499-S503 PolarHBondContact O-OG 3.39Å; E499-S503 VanDerWaalsContact O-OG 3.06Å
500	H	71.3	Confident	69.9	Low	51 Å²	51	74.7 Å²	74.7	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-72.5	-24.4	177	-85.8	83.9	0	0	0	114.9	K496 C497 Q498 S503 K504 I571	K496-H500 PolarHBondContact O-N 2.64Å; K496-H500 VanDerWaalsContact O-N 3.13Å; K496-H500 PolarHBondContact O-ND1 2.78Å; C497-H500 PolarHBondContact O-N 3.35Å; Q498-H500 VanDerWaalsContact C-N 3.31Å; Q498-H500 PolarHBondContact O-N 3.25Å; H500-S503 PolarHBondContact O-OG 2.93Å; H500-K504 VanDerWaalsContact O-CD 3.27Å; H500-K504 WeakPolarHBondContact O-CD 3.48Å; H500-K504 WeakPolarHBondContact O-CE 3.19Å; H500-K504 VanDerWaalsContact O-CG 3.25Å; H500-K504 WeakPolarHBondContact O-CG 3.31Å; H500-I571 HydrophobicContact CB-CB 4.47Å; H500-I571 HydrophobicContact CB-CG1 4.33Å; H500-I571 HydrophobicContact CB-CG2 3.82Å
501	I	69.8	Low	68.2	Low	35 Å²	35	77 Å²	77	18%	0.179	41%	0.414	C	S	.	.	H	α-helix	trans	-77.5	-51.1	172.1	-64.6	159.8	0	0	0	109	C497 Q498 S503 K504 E505 F520	C497-I501 WeakPolarHBondContact O-CG1 3.47Å; C497-I501 PolarHBondContact O-N 3.4Å; C497-I501 VanDerWaalsContact O-N 3.1Å; Q498-I501 PolarHBondContact O-N 2.73Å; I501-S503 PolarHBondContact O-N 2.94Å; I501-K504 WeakPolarHBondContact O-CB 2.97Å; I501-K504 PolarHBondContact O-N 3.44Å; I501-E505 PolarHBondContact O-N 2.81Å; I501-F520 HydrophobicContact CD1-CE2 3.87Å
502	Q	66.4	Low	66.5	Low	106 Å²	106	75 Å²	75	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-66.3	-33.7	-176	-70.6	-179.7	-14	0	0	113.4	Q498 K504	Q498-Q502 HydrophobicContact CG-CG 4.35Å; Q498-Q502 WeakPolarHBondContact O-CB 3.39Å; Q498-Q502 WeakPolarHBondContact O-CG 3.23Å; Q498-Q502 PolarHBondContact O-N 3.44Å; Q502-K504 PolarHBondContact O-N 3.44Å
503	S	60.7	Low	65	Low	55 Å²	55	77.2 Å²	77.2	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-28.1	173.5	61.2	0	0	0	0	112.6	E499 H500 I501	E499-S503 WeakPolarHBondContact O-CB 3.33Å; E499-S503 PolarHBondContact O-N 2.91Å; E499-S503 PolarHBondContact O-OG 3.39Å; E499-S503 VanDerWaalsContact O-OG 3.06Å; H500-S503 PolarHBondContact O-OG 2.93Å; I501-S503 PolarHBondContact O-N 2.94Å
504	K	57.1	Low	63.7	Low	32 Å²	32	81.6 Å²	81.6	14%	0.139	42%	0.417	C	S	.	.	H	α-helix	trans	-85.4	-33.5	-178.3	-67.4	176.2	-168.7	-179.6	0	113.5	H500 I501 Q502 A506 E507 S508 Y562	H500-K504 VanDerWaalsContact O-CD 3.27Å; H500-K504 WeakPolarHBondContact O-CD 3.48Å; H500-K504 WeakPolarHBondContact O-CE 3.19Å; H500-K504 VanDerWaalsContact O-CG 3.25Å; H500-K504 WeakPolarHBondContact O-CG 3.31Å; I501-K504 WeakPolarHBondContact O-CB 2.97Å; I501-K504 PolarHBondContact O-N 3.44Å; Q502-K504 PolarHBondContact O-N 3.44Å; K504-A506 PolarHBondContact O-N 3.19Å; K504-A506 VanDerWaalsContact O-N 3.09Å; K504-E507 PolarHBondContact O-N 2.94Å; K504-S508 CarbonylContact O-C 3.57Å; K504-S508 PolarHBondContact O-N 3.48Å; K504-Y562 HydrophobicContact CD-CE2 4.3Å; K504-Y562 VanDerWaalsContact CE-CE2 3.45Å; K504-Y562 VanDerWaalsContact NZ-CD2 3.32Å; K504-Y562 VanDerWaalsContact NZ-CG 3.27Å
505	E	54.8	Low	62.8	Low	121 Å²	121	81 Å²	81	57%	0.565	41%	0.406	S	S	*	.	H	α-helix	trans	-53.5	-29.3	170.1	-71	-177.2	157	0	0	111.9	I501 V512	I501-E505 PolarHBondContact O-N 2.81Å; E505-V512 HydrophobicContact CG-CG1 4.21Å; E505-V512 HydrophobicContact CG-CG2 4.33Å
506	A	51.5	Low	62	Low	89 Å²	89	78.9 Å²	78.9	74%	0.736	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-16.3	176.2	0	0	0	0	0	115.3	K504	K504-A506 PolarHBondContact O-N 3.19Å; K504-A506 VanDerWaalsContact O-N 3.09Å
507	E	53.8	Low	61.3	Low	129 Å²	129	82.7 Å²	82.7	60%	0.603	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-33	-174.1	-73.7	-174	177	0	0	113.9	K504	K504-E507 PolarHBondContact O-N 2.94Å
508	S	51.1	Low	60.9	Low	24 Å²	24	86.5 Å²	86.5	17%	0.168	45%	0.449	C	S	.	.			trans	-163.9	112.9	166.6	-176.1	0	0	0	0	111.6	K504 E510 Y511	K504-S508 CarbonylContact O-C 3.57Å; K504-S508 PolarHBondContact O-N 3.48Å; S508-E510 PolarHBondContact O-N 3.44Å; S508-Y511 WeakPolarHBondContact OG-CD2 3.35Å
509	P	50.8	Low	60.5	Low	91 Å²	91	84.2 Å²	84.2	59%	0.591	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-69.9	-17.1	-177.9	27.5	-34.3	0	0	0	114.1	Y511	P509-Y511 PolarHBondContact O-N 3.16Å
510	E	48.9	Very low	60.5	Low	158 Å²	158	79.7 Å²	79.7	74%	0.738	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-75.6	-22	-173.9	-64.6	174.3	159.9	0	0	113.4	S508	S508-E510 PolarHBondContact O-N 3.44Å
511	Y	48.9	Very low	60.8	Low	137 Å²	137	81.5 Å²	81.5	54%	0.537	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-97.8	4.2	-178.8	-64	-94.8	0	0	0	113.7	S508 P509 H513	S508-Y511 WeakPolarHBondContact OG-CD2 3.35Å; P509-Y511 PolarHBondContact O-N 3.16Å; Y511-H513 PolarHBondContact O-N 2.91Å
512	V	49	Very low	61.1	Low	38 Å²	38	85.3 Å²	85.3	23%	0.23	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.2	-171.4	178.8	0	0	0	0	113.1	E505	E505-V512 HydrophobicContact CG-CG1 4.21Å; E505-V512 HydrophobicContact CG-CG2 4.33Å
513	H	53.8	Low	61.9	Low	162 Å²	162	80.5 Å²	80.5	75%	0.75	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.4	-164.9	-61	-54.7	0	0	0	117.4	Y511	Y511-H513 PolarHBondContact O-N 2.91Å
514	M	59.3	Low	63	Low	106 Å²	106	78.3 Å²	78.3	52%	0.522	41%	0.408	S	S	.	.	S	Bend	trans	-82.5	-32.6	-176.6	-90.9	-178.1	60.8	0	0	115.2
515	Y	66.8	Low	64.2	Low	27 Å²	27	83 Å²	83	11%	0.106	43%	0.43	C	S	.	.			trans	-133.3	135.4	-175.9	-57	-65.1	0	0	0	111.5	I21 F520 F560 T561 I571	I21-Y515 HydrophobicContact CB-CE1 4.47Å; I21-Y515 HydrophobicContact CD1-CE1 3.72Å; I21-Y515 WeakPolarHBondContact CD1-OH 3.39Å; Y515-F520 HydrophobicContact CG-CZ 4.3Å; Y515-F560 AromaticContact CD1-CD1 3.77Å; Y515-F560 HydrophobicContact CD1-CD1 3.77Å; Y515-F560 HydrophobicContact CD1-CE1 4.41Å; Y515-F560 AromaticContact CE1-CD1 3.78Å; Y515-F560 HydrophobicContact CE1-CD1 3.78Å; Y515-F560 HydrophobicContact CE2-CB 4.5Å; Y515-F560 HydrophobicContact CG-CD1 4.33Å; Y515-T561 VanDerWaalsContact CE2-O 3.27Å; Y515-T561 WeakPolarHBondContact CE2-O 3.5Å; Y515-T561 PolarHBondContact OH-O 3.4Å; Y515-I571 HydrophobicContact CD2-CD1 3.8Å; Y515-I571 HydrophobicContact CG-CD1 4.48Å
516	T	67.9	Low	65.6	Low	78 Å²	78	79.2 Å²	79.2	48%	0.479	41%	0.414	S	S	.	.			trans	-115.5	169.1	177.4	59.4	0	0	0	0	109.5	S518 S519 F520	T516-S518 PolarHBondContact O-N 2.84Å; T516-S518 VanDerWaalsContact O-N 3.09Å; T516-S518 PolarHBondContact OG1-OG 2.91Å; T516-S519 PolarHBondContact N-OG 3.35Å; T516-S519 VanDerWaalsContact N-OG 3.1Å; T516-S519 VanDerWaalsContact O-CB 3.25Å; T516-S519 WeakPolarHBondContact O-CB 3.44Å; T516-S519 PolarHBondContact O-N 3.22Å; T516-S519 PolarHBondContact O-OG 3.36Å; T516-S519 PolarHBondContact OG1-OG 3.36Å; T516-F520 WeakPolarHBondContact O-CD2 3.47Å; T516-F520 WeakPolarHBondContact O-CE2 3.42Å
517	Q	67.4	Low	67.3	Low	114 Å²	114	79.2 Å²	79.2	53%	0.533	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.2	179.4	-167.8	163.5	0.9	0	0	113.7	Q521	Q517-Q521 PolarHBondContact O-NE2 3.23Å
518	S	71.9	Confident	69	Low	85 Å²	85	76.2 Å²	76.2	59%	0.594	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-29.9	169.7	47.2	0	0	0	0	113.2	T516 F520 Q521	T516-S518 PolarHBondContact O-N 2.84Å; T516-S518 VanDerWaalsContact O-N 3.09Å; T516-S518 PolarHBondContact OG1-OG 2.91Å; S518-F520 PolarHBondContact O-N 2.87Å; S518-Q521 WeakPolarHBondContact O-CG 3.5Å; S518-Q521 PolarHBondContact O-N 2.92Å
519	S	71.3	Confident	71	Confident	32 Å²	32	75.2 Å²	75.2	22%	0.224	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.7	-179.9	-54.6	0	0	0	0	114.1	T516 F560	T516-S519 PolarHBondContact N-OG 3.35Å; T516-S519 VanDerWaalsContact N-OG 3.1Å; T516-S519 VanDerWaalsContact O-CB 3.25Å; T516-S519 WeakPolarHBondContact O-CB 3.44Å; T516-S519 PolarHBondContact O-N 3.22Å; T516-S519 PolarHBondContact O-OG 3.36Å; T516-S519 PolarHBondContact OG1-OG 3.36Å; S519-F560 WeakPolarHBondContact O-CE1 3.41Å; S519-F560 WeakPolarHBondContact O-CZ 3.4Å
520	F	78.3	Confident	73	Confident	4 Å²	4	71 Å²	71	2%	0.018	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-5.4	-176.2	-50.1	-83.7	0	0	0	114	C497 I501 Y515 T516 S518 E522 I523 V524 F560 I571 I572	C497-F520 HydrophobicContact CB-CD1 4.13Å; C497-F520 HydrophobicContact CB-CD2 4.11Å; C497-F520 HydrophobicContact CB-CE1 4.35Å; C497-F520 HydrophobicContact CB-CE2 4.37Å; C497-F520 HydrophobicContact CB-CG 4Å; C497-F520 HydrophobicContact CB-CZ 4.47Å; C497-F520 VanDerWaalsContact SG-CD1 3.58Å; I501-F520 HydrophobicContact CD1-CE2 3.87Å; Y515-F520 HydrophobicContact CG-CZ 4.3Å; T516-F520 WeakPolarHBondContact O-CD2 3.47Å; T516-F520 WeakPolarHBondContact O-CE2 3.42Å; S518-F520 PolarHBondContact O-N 2.87Å; F520-E522 VanDerWaalsContact C-N 3.28Å; F520-E522 PolarHBondContact O-N 3.19Å; F520-I523 PolarHBondContact O-N 2.9Å; F520-I523 VanDerWaalsContact O-N 3.08Å; F520-V524 HydrophobicContact CB-CG2 3.95Å; F520-V524 VanDerWaalsContact O-CG2 3.26Å; F520-V524 WeakPolarHBondContact O-CG2 3.4Å; F520-V524 PolarHBondContact O-N 3.04Å; F520-F560 AromaticContact CD1-CD1 3.91Å; F520-F560 HydrophobicContact CD1-CD1 3.91Å; F520-F560 AromaticContact CD1-CD2 3.85Å; F520-F560 HydrophobicContact CD1-CD2 3.85Å; F520-F560 AromaticContact CD1-CE1 3.92Å; F520-F560 HydrophobicContact CD1-CE1 3.92Å; F520-F560 AromaticContact CD1-CE2 3.83Å; F520-F560 HydrophobicContact CD1-CE2 3.83Å; F520-F560 AromaticContact CD1-CG 3.88Å; F520-F560 HydrophobicContact CD1-CG 3.88Å; F520-F560 AromaticContact CD1-CZ 3.87Å; F520-F560 HydrophobicContact CD1-CZ 3.87Å; F520-F560 HydrophobicContact CE1-CB 3.86Å; F520-F560 AromaticContact CE1-CD1 3.56Å; F520-F560 HydrophobicContact CE1-CD1 3.56Å; F520-F560 AromaticContact CE1-CD2 3.9Å; F520-F560 HydrophobicContact CE1-CD2 3.9Å; F520-F560 HydrophobicContact CE1-CE1 4.04Å; F520-F560 HydrophobicContact CE1-CE2 4.3Å; F520-F560 AromaticContact CE1-CG 3.49Å; F520-F560 HydrophobicContact CE1-CG 3.49Å; F520-F560 VanDerWaalsContact CE1-CG 3.49Å; F520-F560 HydrophobicContact CE1-CZ 4.38Å; F520-F560 HydrophobicContact CZ-CD1 4.32Å; F520-I571 HydrophobicContact CE1-CB 4.38Å; F520-I571 HydrophobicContact CE1-CD1 4.36Å; F520-I571 HydrophobicContact CE1-CG2 3.83Å; F520-I571 HydrophobicContact CZ-CD1 3.96Å; F520-I571 HydrophobicContact CZ-CG2 4.11Å; F520-I572 HydrophobicContact CD1-CG2 4.15Å; F520-I572 HydrophobicContact CE1-CG2 4.36Å
521	Q	78	Confident	75.1	Confident	89 Å²	89	63.5 Å²	63.5	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-55.4	-43.8	-169.2	-71.9	-67.3	-45.4	0	0	112.8	Q517 S518 I523 V524 H525	Q517-Q521 PolarHBondContact O-NE2 3.23Å; S518-Q521 WeakPolarHBondContact O-CG 3.5Å; S518-Q521 PolarHBondContact O-N 2.92Å; Q521-I523 PolarHBondContact O-N 2.94Å; Q521-V524 PolarHBondContact O-N 2.86Å; Q521-H525 PolarHBondContact O-N 2.84Å
522	E	75.3	Confident	77.2	Confident	115 Å²	115	57 Å²	57	54%	0.537	30%	0.299	S	S	.	.	H	α-helix	trans	-72	-8.3	-175	-55.3	-166.7	-138.9	0	0	113.6	F25 F520 N526	F25-E522 HydrophobicContact CD1-CB 4.2Å; F25-E522 HydrophobicContact CD1-CG 4.12Å; F25-E522 VanDerWaalsContact CD1-OE1 3.23Å; F25-E522 WeakPolarHBondContact CD1-OE1 3.39Å; F25-E522 WeakPolarHBondContact CD1-OE2 2.92Å; F25-E522 HydrophobicContact CE1-CB 3.32Å; F25-E522 HydrophobicContact CE1-CG 3.74Å; F25-E522 WeakPolarHBondContact CE1-OE2 3.49Å; F25-E522 HydrophobicContact CZ-CB 3.67Å; F25-E522 HydrophobicContact CZ-CG 4.32Å; F520-E522 VanDerWaalsContact C-N 3.28Å; F520-E522 PolarHBondContact O-N 3.19Å; E522-N526 WeakPolarHBondContact O-CB 3.44Å; E522-N526 PolarHBondContact O-ND2 3.38Å
523	I	83.8	Confident	78.9	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-116.9	-28.6	176.5	-71.1	153.3	0	0	0	111.6	F25 R493 F520 Q521 H525 V529 T531 F560 F574	F25-I523 HydrophobicContact CZ-CD1 4.01Å; R493-I523 WeakPolarHBondContact CD-O 3.27Å; R493-I523 PolarHBondContact NH1-O 3.09Å; F520-I523 PolarHBondContact O-N 2.9Å; F520-I523 VanDerWaalsContact O-N 3.08Å; Q521-I523 PolarHBondContact O-N 2.94Å; I523-H525 VanDerWaalsContact C-N 3.31Å; I523-H525 PolarHBondContact O-N 2.89Å; I523-V529 HydrophobicContact CG2-CG2 4.22Å; I523-T531 HydrophobicContact CG2-CG2 3.56Å; I523-F560 HydrophobicContact CD1-CE2 3.53Å; I523-F560 HydrophobicContact CD1-CZ 3.8Å; I523-F574 HydrophobicContact CD1-CD1 3.53Å; I523-F574 HydrophobicContact CD1-CD2 4.26Å; I523-F574 HydrophobicContact CD1-CE1 3.31Å; I523-F574 HydrophobicContact CD1-CE2 4.06Å; I523-F574 HydrophobicContact CD1-CG 4.01Å; I523-F574 HydrophobicContact CD1-CZ 3.59Å; I523-F574 HydrophobicContact CG1-CD1 4.34Å; I523-F574 HydrophobicContact CG1-CD2 4.41Å; I523-F574 HydrophobicContact CG1-CE1 4.39Å; I523-F574 HydrophobicContact CG1-CE2 4.45Å; I523-F574 HydrophobicContact CG1-CG 4.35Å; I523-F574 HydrophobicContact CG1-CZ 4.44Å; I523-F574 HydrophobicContact CG2-CB 4.33Å; I523-F574 HydrophobicContact CG2-CG 4.47Å
524	V	83.4	Confident	80.5	Confident	10 Å²	10	51.5 Å²	51.5	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-42.3	174.7	167.7	0	0	0	0	111.4	R493 A494 F520 Q521	R493-V524 HydrophobicContact CB-CB 4.49Å; R493-V524 HydrophobicContact CB-CG2 4.18Å; A494-V524 HydrophobicContact CB-CG1 3.65Å; A494-V524 HydrophobicContact CB-CG2 4.26Å; F520-V524 HydrophobicContact CB-CG2 3.95Å; F520-V524 VanDerWaalsContact O-CG2 3.26Å; F520-V524 WeakPolarHBondContact O-CG2 3.4Å; F520-V524 PolarHBondContact O-N 3.04Å; Q521-V524 PolarHBondContact O-N 2.86Å
525	H	81.5	Confident	81.7	Confident	129 Å²	129	53.9 Å²	53.9	60%	0.597	28%	0.284	S	S	*	.	S	Bend	trans	-103.1	-12.1	-174.1	-65.9	-62.1	0	0	0	114.9	Q490 Q521 I523	Q490-H525 PolarHBondContact NE2-O 2.98Å; Q521-H525 PolarHBondContact O-N 2.84Å; I523-H525 VanDerWaalsContact C-N 3.31Å; I523-H525 PolarHBondContact O-N 2.89Å
526	N	85.2	Confident	82.5	Confident	42 Å²	42	52.9 Å²	52.9	23%	0.225	28%	0.28	C	S	.	.			trans	-75.4	121.7	-174.9	-178.9	-13.1	0	0	0	112.4	R493 E522 D528 V529	R493-N526 PolarHBondContact NH1-O 2.84Å; E522-N526 WeakPolarHBondContact O-CB 3.44Å; E522-N526 PolarHBondContact O-ND2 3.38Å; N526-D528 WeakPolarHBondContact OD1-CA 3.31Å; N526-D528 VanDerWaalsContact OD1-CB 3.3Å; N526-D528 WeakPolarHBondContact OD1-CB 3.37Å; N526-D528 PolarHBondContact OD1-N 2.8Å; N526-V529 HydrophobicContact CB-CG2 4.05Å
527	P	87.4	Confident	83.2	Confident	90 Å²	90	50 Å²	50	58%	0.584	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.5	177.7	33.8	-34.9	0	0	0	113.3	V529	P527-V529 PolarHBondContact O-N 2.91Å
528	D	89.9	Confident	83.9	Confident	65 Å²	65	48.4 Å²	48.4	35%	0.348	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.6	-175.7	-58.6	-68.7	0	0	0	113.9	L438 N526 T577 S580	L438-D528 HydrophobicContact CD2-CB 3.95Å; N526-D528 WeakPolarHBondContact OD1-CA 3.31Å; N526-D528 VanDerWaalsContact OD1-CB 3.3Å; N526-D528 WeakPolarHBondContact OD1-CB 3.37Å; N526-D528 PolarHBondContact OD1-N 2.8Å; D528-T577 WeakPolarHBondContact O-CG2 3.39Å; D528-T577 PolarHBondContact O-N 3.22Å; D528-S580 WeakPolarHBondContact CA-OG 3.35Å; D528-S580 VanDerWaalsContact CB-OG 3.28Å; D528-S580 WeakPolarHBondContact CB-OG 3.37Å; D528-S580 WeakPolarHBondContact OD1-CB 3.43Å; D528-S580 PolarHBondContact OD1-OG 3.13Å
529	V	91.8	Very high	84.6	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.3	173.2	-60.1	0	0	0	0	111.7	R493 I523 N526 P527 F574 G575	R493-V529 PolarHBondContact NH2-O 3.1Å; I523-V529 HydrophobicContact CG2-CG2 4.22Å; N526-V529 HydrophobicContact CB-CG2 4.05Å; P527-V529 PolarHBondContact O-N 2.91Å; V529-F574 HydrophobicContact CB-CD2 4.35Å; V529-F574 HydrophobicContact CG1-CD2 4.05Å; V529-G575 CarbonylContact C-O 3.49Å; V529-G575 VanDerWaalsContact CA-O 3.31Å; V529-G575 WeakPolarHBondContact CA-O 3.31Å
530	I	93.7	Very high	85.6	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	147.8	161.4	-178.6	164.5	0	0	0	109.1	V463 I469 V487 Y532 A554 F574 G575	V463-I530 HydrophobicContact CG1-CB 3.9Å; V463-I530 HydrophobicContact CG1-CD1 3.52Å; V463-I530 HydrophobicContact CG1-CG1 4.02Å; I469-I530 HydrophobicContact CD1-CD1 4.35Å; I469-I530 HydrophobicContact CG2-CD1 4.19Å; V487-I530 HydrophobicContact CG1-CD1 4.09Å; V487-I530 HydrophobicContact CG1-CG1 4.06Å; V487-I530 HydrophobicContact CG2-CD1 3.81Å; I530-Y532 HydrophobicContact CG1-CD1 4.09Å; I530-Y532 HydrophobicContact CG1-CE1 4.41Å; I530-Y532 HydrophobicContact CG2-CD1 4.41Å; I530-Y532 HydrophobicContact CG2-CE1 3.88Å; I530-A554 HydrophobicContact CG2-CB 3.35Å; I530-F574 CarbonylContact O-C 3.53Å; I530-F574 WeakPolarHBondContact O-CA 3.37Å; I530-F574 WeakPolarHBondContact O-CB 3.24Å; I530-G575 VanDerWaalsContact CG2-O 3.27Å; I530-G575 WeakPolarHBondContact CG2-O 3.26Å; I530-G575 PolarHBondContact N-O 3.37Å; I530-G575 PolarHBondContact O-N 3.1Å
531	T	92.8	Very high	86.5	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.8	179.5	48.4	0	0	0	0	111.8	I488 R493 I523 I572 E573 F574	I488-T531 PolarHBondContact N-O 2.85Å; I488-T531 PolarHBondContact O-OG1 3.23Å; R493-T531 HydrophobicContact CG-CG2 4.3Å; R493-T531 VanDerWaalsContact NE-CG2 3.34Å; R493-T531 PolarHBondContact NE-OG1 3.18Å; I523-T531 HydrophobicContact CG2-CG2 3.56Å; T531-I572 HydrophobicContact CG2-CD1 3.93Å; T531-I572 HydrophobicContact CG2-CG1 4.18Å; T531-E573 CarbonylContact C-O 3.59Å; T531-E573 VanDerWaalsContact CA-O 3.27Å; T531-E573 WeakPolarHBondContact CA-O 3.41Å; T531-F574 HydrophobicContact CG2-CB 3.92Å
532	Y	91.9	Very high	87.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	-178.2	-175.4	39.1	-103.5	0	0	0	112.1	I469 I471 A486 I488 I530 T534 V545 H556 E573 F574	I469-Y532 HydrophobicContact CD1-CD1 3.24Å; I469-Y532 HydrophobicContact CD1-CE1 3.84Å; I469-Y532 HydrophobicContact CD1-CG 3.69Å; I471-Y532 HydrophobicContact CD1-CD2 3.76Å; I471-Y532 HydrophobicContact CD1-CE1 4.35Å; I471-Y532 HydrophobicContact CD1-CE2 3.33Å; I471-Y532 HydrophobicContact CD1-CG 4.43Å; A486-Y532 WeakPolarHBondContact O-CB 3.29Å; I488-Y532 VanDerWaalsContact CD1-O 3.22Å; I488-Y532 WeakPolarHBondContact CD1-O 3.28Å; I530-Y532 HydrophobicContact CG1-CD1 4.09Å; I530-Y532 HydrophobicContact CG1-CE1 4.41Å; I530-Y532 HydrophobicContact CG2-CD1 4.41Å; I530-Y532 HydrophobicContact CG2-CE1 3.88Å; Y532-T534 HydrophobicContact CD2-CG2 3.72Å; Y532-T534 HydrophobicContact CE2-CG2 3.77Å; Y532-V545 HydrophobicContact CE1-CG2 4.43Å; Y532-H556 AromaticContact CE2-ND1 3.64Å; Y532-H556 AromaticContact CZ-ND1 3.7Å; Y532-H556 WeakPolarHBondContact OH-CA 3.49Å; Y532-H556 WeakPolarHBondContact OH-CB 3.45Å; Y532-H556 PolarHBondContact OH-ND1 3.29Å; Y532-E573 HydrophobicContact CD2-CB 3.77Å; Y532-E573 HydrophobicContact CE2-CB 3.7Å; Y532-E573 PolarHBondContact N-O 3.04Å; Y532-E573 PolarHBondContact O-N 2.96Å; Y532-F574 PolarHBondContact OH-O 3.36Å
533	D	86.5	Confident	88.5	Confident	77 Å²	77	34.3 Å²	34.3	41%	0.412	18%	0.179	S	C	.	.			trans	-122.2	107.4	-178.8	-156.9	-6.4	0	0	0	107.9	C485 K496	C485-D533 WeakPolarHBondContact CB-O 3.26Å; K496-D533 VanDerWaalsContact NZ-CB 3.31Å; K496-D533 IonicContact NZ-OD1 2.7Å; K496-D533 IonicContact NZ-OD2 3.73Å; K496-D533 PolarHBondContact NZ-OD2 2.92Å
534	T	87.3	Confident	89.1	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.043	18%	0.178	C	C	.	.			trans	-143.1	159	-173.1	-174.4	0	0	0	0	111.1	I471 D483 Y532 F536 E573	I471-T534 HydrophobicContact CD1-CG2 3.96Å; D483-T534 WeakPolarHBondContact OD2-CA 3.3Å; D483-T534 WeakPolarHBondContact OD2-CB 3.39Å; D483-T534 PolarHBondContact OD2-OG1 3.13Å; Y532-T534 HydrophobicContact CD2-CG2 3.72Å; Y532-T534 HydrophobicContact CE2-CG2 3.77Å; T534-F536 VanDerWaalsContact C-N 3.31Å; T534-F536 HydrophobicContact CG2-CB 3.93Å; T534-F536 PolarHBondContact OG1-N 2.85Å; T534-E573 HydrophobicContact CG2-CB 3.75Å; T534-E573 HydrophobicContact CG2-CG 3.63Å
535	E	83.4	Confident	89.8	Confident	157 Å²	157	33.7 Å²	33.7	73%	0.734	18%	0.175	S	C	*	.	S	Bend	trans	-94.9	12.3	171.3	-62.3	177.9	175	0	0	111.8	F537	E535-F537 HydrophobicContact CB-CE2 4.06Å; E535-F537 WeakPolarHBondContact O-CD2 3.36Å; E535-F537 WeakPolarHBondContact O-CE2 3.3Å; E535-F537 PolarHBondContact O-N 3.49Å
536	F	83.6	Confident	90.5	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.026	15%	0.147	C	C	.	.			trans	-80.7	108.1	173	-84	-139.3	0	0	0	109.2	I471 P475 H481 D483 T534 A540	I471-F536 HydrophobicContact CB-CD1 3.98Å; I471-F536 HydrophobicContact CB-CE1 3.96Å; I471-F536 HydrophobicContact CG2-CD1 3.45Å; I471-F536 VanDerWaalsContact CG2-CD1 3.45Å; I471-F536 HydrophobicContact CG2-CE1 3.64Å; I471-F536 HydrophobicContact CG2-CG 4.34Å; I471-F536 WeakPolarHBondContact O-CZ 3.48Å; P475-F536 HydrophobicContact CB-CD2 4.43Å; P475-F536 HydrophobicContact CB-CG 4.45Å; P475-F536 HydrophobicContact CG-CD2 4.2Å; P475-F536 HydrophobicContact CG-CE2 4.13Å; P475-F536 HydrophobicContact CG-CZ 4.41Å; H481-F536 HydrophobicContact CB-CE2 3.81Å; H481-F536 HydrophobicContact CB-CZ 3.67Å; D483-F536 HydrophobicContact CB-CD2 3.79Å; D483-F536 HydrophobicContact CB-CE2 3.46Å; D483-F536 VanDerWaalsContact CB-CE2 3.46Å; D483-F536 HydrophobicContact CB-CZ 4.15Å; T534-F536 VanDerWaalsContact C-N 3.31Å; T534-F536 HydrophobicContact CG2-CB 3.93Å; T534-F536 PolarHBondContact OG1-N 2.85Å; F536-A540 HydrophobicContact CB-CB 3.76Å; F536-A540 HydrophobicContact CD1-CB 3.83Å; F536-A540 HydrophobicContact CG-CB 4.13Å
537	F	82.3	Confident	90.8	Very high	16 Å²	16	26.1 Å²	26.1	7%	0.07	14%	0.139	C	C	.	.			trans	-118.5	-143.4	-175.8	-59.3	-66.7	0	0	0	110.7	Y476 E535 G539 A540 T561 T568	Y476-F537 HydrophobicContact CE1-CB 4.41Å; Y476-F537 HydrophobicContact CE2-CB 4.41Å; Y476-F537 AromaticContact CE2-CD2 3.97Å; Y476-F537 HydrophobicContact CE2-CD2 3.97Å; Y476-F537 AromaticContact CZ-CD2 3.75Å; Y476-F537 WeakPolarHBondContact OH-CD2 3.27Å; E535-F537 HydrophobicContact CB-CE2 4.06Å; E535-F537 WeakPolarHBondContact O-CD2 3.36Å; E535-F537 WeakPolarHBondContact O-CE2 3.3Å; E535-F537 PolarHBondContact O-N 3.49Å; F537-G539 PolarHBondContact O-N 2.79Å; F537-A540 WeakPolarHBondContact O-CB 3.39Å; F537-A540 PolarHBondContact O-N 3.34Å; F537-T561 HydrophobicContact CD1-CG2 3.51Å; F537-T561 HydrophobicContact CE1-CG2 3.84Å; F537-T568 HydrophobicContact CD1-CG2 4.15Å; F537-T568 HydrophobicContact CD2-CG2 4.48Å; F537-T568 HydrophobicContact CE1-CG2 4.27Å; F537-T568 HydrophobicContact CG-CG2 4.24Å; F537-T568 HydrophobicContact CZ-CG2 4.49Å
538	F	83	Confident	90.9	Very high	82 Å²	82	24.9 Å²	24.9	36%	0.36	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.1	136.4	176.4	-53.3	-77.7	0	0	0	112.7	Y476 A540 T568	Y476-F538 VanDerWaalsContact CA-O 3.3Å; Y476-F538 WeakPolarHBondContact CA-O 3.45Å; Y476-F538 HydrophobicContact CD1-CD2 4.46Å; Y476-F538 AromaticContact CE1-CD2 3.99Å; Y476-F538 HydrophobicContact CE1-CD2 3.99Å; Y476-F538 PolarHBondContact N-O 2.95Å; F538-A540 PolarHBondContact O-N 2.7Å; F538-T568 HydrophobicContact CE2-CG2 4.26Å
539	G	85.9	Confident	90.9	Very high	10 Å²	10	28.9 Å²	28.9	10%	0.103	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-19.9	-176.9	0	0	0	0	0	115.3	A370 T371 H474 F537 S541	A370-G539 CarbonylContact C-O 3.24Å; A370-G539 VanDerWaalsContact CA-O 3.29Å; A370-G539 WeakPolarHBondContact CA-O 3.43Å; T371-G539 PolarHBondContact N-O 3.35Å; T371-G539 PolarHBondContact OG1-O 2.78Å; H474-G539 CarbonylContact O-C 3.58Å; F537-G539 PolarHBondContact O-N 2.79Å; G539-S541 VanDerWaalsContact C-N 3.32Å
540	A	93.4	Very high	90.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.			trans	-77.5	-14.5	173.9	0	0	0	0	0	113.6	P475 F536 F537 F538 G542 S543 H556	P475-A540 HydrophobicContact CB-CB 4.42Å; F536-A540 HydrophobicContact CB-CB 3.76Å; F536-A540 HydrophobicContact CD1-CB 3.83Å; F536-A540 HydrophobicContact CG-CB 4.13Å; F537-A540 WeakPolarHBondContact O-CB 3.39Å; F537-A540 PolarHBondContact O-N 3.34Å; F538-A540 PolarHBondContact O-N 2.7Å; A540-G542 PolarHBondContact O-N 2.9Å; A540-S543 VanDerWaalsContact O-CB 3.22Å; A540-S543 WeakPolarHBondContact O-CB 3.43Å; A540-S543 PolarHBondContact O-N 3.17Å; A540-S543 PolarHBondContact O-OG 3.08Å; A540-H556 PolarHBondContact O-CD2 3.27Å
541	S	95.8	Very high	90.8	Very high	19 Å²	19	30 Å²	30	13%	0.133	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	129.8	175.8	-53.4	0	0	0	0	111.3	T371 H385 G539	T371-S541 CarbonylContact C-O 3.48Å; T371-S541 WeakPolarHBondContact CA-O 3.26Å; T371-S541 PolarHBondContact N-O 2.9Å; H385-S541 PolarHBondContact CE1-OG 3.05Å; H385-S541 WeakPolarHBondContact NE2-CB 3.27Å; H385-S541 PolarHBondContact NE2-OG 3.27Å; G539-S541 VanDerWaalsContact C-N 3.32Å
542	G	97.4	Very high	91	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	3.4	-175.1	0	0	0	0	0	115.1	T371 F373 C383 A540 H556	T371-G542 WeakPolarHBondContact O-CA 3.33Å; F373-G542 WeakPolarHBondContact CD1-O 3.43Å; C383-G542 PolarHBondContact SG-N 2.9Å; A540-G542 PolarHBondContact O-N 2.9Å; G542-H556 PolarHBondContact N-O 3.08Å
543	S	98.2	Very high	91.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.			trans	-64.9	132.1	176	-64.8	0	0	0	0	112	T371 I472 G473 A540 M555 H556	T371-S543 PolarHBondContact OG1-OG 3.45Å; I472-S543 VanDerWaalsContact O-CB 3.27Å; I472-S543 WeakPolarHBondContact O-CB 3.41Å; I472-S543 PolarHBondContact O-OG 3.19Å; G473-S543 WeakPolarHBondContact CA-OG 3.36Å; A540-S543 VanDerWaalsContact O-CB 3.22Å; A540-S543 WeakPolarHBondContact O-CB 3.43Å; A540-S543 PolarHBondContact O-N 3.17Å; A540-S543 PolarHBondContact O-OG 3.08Å; S543-M555 CarbonylContact O-C 3.58Å; S543-M555 WeakPolarHBondContact O-CA 3.26Å; S543-H556 PolarHBondContact O-N 3.47Å
544	P	97.8	Very high	91.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	141.3	171.2	25.4	-31.6	0	0	0	111.9	V357 F373 L456 I472 F546 L552	V357-P544 HydrophobicContact CG1-CG 4.49Å; V357-P544 HydrophobicContact CG2-CG 3.54Å; F373-P544 HydrophobicContact CB-CB 4.49Å; F373-P544 HydrophobicContact CB-CG 3.96Å; F373-P544 HydrophobicContact CD1-CB 3.84Å; F373-P544 HydrophobicContact CD1-CG 3.97Å; F373-P544 HydrophobicContact CE1-CB 4.08Å; F373-P544 HydrophobicContact CG-CB 4.05Å; F373-P544 HydrophobicContact CG-CG 4.04Å; L456-P544 HydrophobicContact CD1-CB 3.81Å; L456-P544 HydrophobicContact CD1-CG 3.76Å; I472-P544 PolarHBondContact N-O 3.49Å; I472-P544 WeakPolarHBondContact O-CD 3.3Å; P544-F546 HydrophobicContact CB-CE2 3.91Å; P544-F546 HydrophobicContact CB-CZ 3.89Å; P544-F546 HydrophobicContact CG-CE2 3.9Å; P544-F546 HydrophobicContact CG-CZ 3.99Å; P544-L552 HydrophobicContact CB-CD1 3.33Å
545	V	97.3	Very high	92.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.2	176.4	-174.6	0	0	0	0	109.1	I469 H470 I471 Y532 V553 A554 H556	I469-V545 HydrophobicContact CB-CG1 4.13Å; I469-V545 HydrophobicContact CD1-CG1 3.62Å; I469-V545 HydrophobicContact CG1-CG1 4.47Å; H470-V545 WeakPolarHBondContact O-CA 3.36Å; I471-V545 HydrophobicContact CG1-CG1 4.35Å; I471-V545 HydrophobicContact CG1-CG2 4.24Å; I471-V545 HydrophobicContact CG2-CG2 4.42Å; Y532-V545 HydrophobicContact CE1-CG2 4.43Å; V545-V553 HydrophobicContact CG1-CG2 4.29Å; V545-V553 WeakPolarHBondContact O-CG2 3.5Å; V545-V553 PolarHBondContact O-N 3.21Å; V545-A554 HydrophobicContact CB-CB 3.93Å; V545-A554 WeakPolarHBondContact CB-O 3.25Å; V545-A554 HydrophobicContact CG1-CB 4.47Å; V545-A554 HydrophobicContact CG2-CB 4.17Å; V545-A554 PolarHBondContact N-O 3.22Å; V545-A554 PolarHBondContact O-N 3.38Å; V545-H556 HydrophobicContact CG2-CB 4.16Å
546	F	95.8	Very high	92.8	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.8	-179	-54.6	-88	0	0	0	112	L350 R353 L456 I469 H470 I472 P544 S551 L552	L350-F546 HydrophobicContact CD2-CB 3.72Å; L350-F546 HydrophobicContact CD2-CD1 4.44Å; L350-F546 HydrophobicContact CD2-CD2 3.86Å; L350-F546 HydrophobicContact CD2-CG 3.76Å; R353-F546 HydrophobicContact CB-CE1 4.04Å; R353-F546 HydrophobicContact CB-CZ 3.91Å; R353-F546 HydrophobicContact CG-CE1 4.27Å; L456-F546 HydrophobicContact CD1-CE1 4.21Å; L456-F546 HydrophobicContact CD1-CZ 3.76Å; L456-F546 HydrophobicContact CD2-CE1 4.37Å; L456-F546 HydrophobicContact CD2-CZ 4.33Å; I469-F546 CarbonylContact C-O 3.58Å; I469-F546 VanDerWaalsContact CA-O 3.24Å; I469-F546 WeakPolarHBondContact CA-O 3.28Å; I469-F546 VanDerWaalsContact CB-O 3.31Å; I469-F546 WeakPolarHBondContact CB-O 3.48Å; H470-F546 HydrophobicContact CB-CB 4.49Å; H470-F546 PolarHBondContact CE1-O 2.95Å; H470-F546 PolarHBondContact N-O 3.06Å; H470-F546 PolarHBondContact O-N 3.03Å; I472-F546 HydrophobicContact CB-CE2 4.24Å; I472-F546 HydrophobicContact CD1-CD2 4.05Å; I472-F546 HydrophobicContact CD1-CE2 3.66Å; I472-F546 HydrophobicContact CG1-CD2 4.16Å; I472-F546 HydrophobicContact CG1-CE2 3.91Å; P544-F546 HydrophobicContact CB-CE2 3.91Å; P544-F546 HydrophobicContact CB-CZ 3.89Å; P544-F546 HydrophobicContact CG-CE2 3.9Å; P544-F546 HydrophobicContact CG-CZ 3.99Å; F546-S551 CarbonylContact C-O 3.6Å; F546-S551 WeakPolarHBondContact CA-O 3.05Å; F546-L552 HydrophobicContact CD1-CB 4.36Å; F546-L552 HydrophobicContact CD1-CD1 4.44Å; F546-L552 HydrophobicContact CE1-CB 4.36Å; F546-L552 HydrophobicContact CE1-CD1 4.14Å; F546-L552 HydrophobicContact CZ-CD1 4.47Å
547	D	92.4	Very high	93.2	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.064	10%	0.101	C	C	.	.			trans	-74.6	177.7	171.7	90.1	-30.2	0	0	0	112.6	P464 H470 K549 G550 S551 V553	P464-D547 HydrophobicContact CG-CB 4.39Å; H470-D547 PolarHBondContact CE1-O 3.4Å; D547-K549 PolarHBondContact O-N 3.35Å; D547-K549 VanDerWaalsContact OD1-CA 3.31Å; D547-K549 WeakPolarHBondContact OD1-CA 3.46Å; D547-K549 VanDerWaalsContact OD1-CB 3.3Å; D547-K549 WeakPolarHBondContact OD1-CB 3.15Å; D547-K549 PolarHBondContact OD1-N 3.08Å; D547-K549 WeakPolarHBondContact OD2-CG 3.35Å; D547-G550 PolarHBondContact O-N 3.13Å; D547-G550 PolarHBondContact OD1-N 2.65Å; D547-S551 PolarHBondContact N-O 2.85Å; D547-S551 PolarHBondContact OD1-N 3.32Å; D547-V553 HydrophobicContact CB-CG1 3.97Å; D547-V553 HydrophobicContact CB-CG2 4.41Å
548	S	88.9	Confident	93.5	Very high	63 Å²	63	19.4 Å²	19.4	44%	0.441	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-8.4	175.3	67.5	0	0	0	0	115.8	V346 L468	V346-S548 WeakPolarHBondContact CG2-O 3.4Å; L468-S548 PolarHBondContact O-N 2.84Å
549	K	89.6	Confident	93.6	Very high	149 Å²	149	15.9 Å²	15.9	65%	0.648	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-12.9	176	-55.6	170.3	-174.6	164.9	0	112.5	L349 D547	L349-K549 VanDerWaalsContact CD2-O 3.31Å; L349-K549 WeakPolarHBondContact CD2-O 3.27Å; D547-K549 PolarHBondContact O-N 3.35Å; D547-K549 VanDerWaalsContact OD1-CA 3.31Å; D547-K549 WeakPolarHBondContact OD1-CA 3.46Å; D547-K549 VanDerWaalsContact OD1-CB 3.3Å; D547-K549 WeakPolarHBondContact OD1-CB 3.15Å; D547-K549 PolarHBondContact OD1-N 3.08Å; D547-K549 WeakPolarHBondContact OD2-CG 3.35Å
550	G	91	Very high	93.4	Very high	3 Å²	3	15.4 Å²	15.4	3%	0.031	9%	0.09	C	C	.	.	S	Bend	trans	91.3	18.3	-175.5	0	0	0	0	0	114.4	D547	D547-G550 PolarHBondContact O-N 3.13Å; D547-G550 PolarHBondContact OD1-N 2.65Å
551	S	93.3	Very high	92.5	Very high	29 Å²	29	16.7 Å²	16.7	20%	0.203	10%	0.098	C	C	.	.			trans	-86.3	137.9	171.5	-71.8	0	0	0	0	110.9	F546 D547 V553	F546-S551 CarbonylContact C-O 3.6Å; F546-S551 WeakPolarHBondContact CA-O 3.05Å; D547-S551 PolarHBondContact N-O 2.85Å; D547-S551 PolarHBondContact OD1-N 3.32Å; S551-V553 PolarHBondContact O-N 2.83Å
552	L	95.9	Very high	91.5	Very high	9 Å²	9	17.3 Å²	17.3	5%	0.047	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	126.8	174.9	-174.6	74.5	0	0	0	110.1	F373 L456 P544 F546 M578	F373-L552 HydrophobicContact CE2-CD2 3.77Å; F373-L552 HydrophobicContact CZ-CD2 4.17Å; L456-L552 HydrophobicContact CB-CD2 4.17Å; P544-L552 HydrophobicContact CB-CD1 3.33Å; F546-L552 HydrophobicContact CD1-CB 4.36Å; F546-L552 HydrophobicContact CD1-CD1 4.44Å; F546-L552 HydrophobicContact CE1-CB 4.36Å; F546-L552 HydrophobicContact CE1-CD1 4.14Å; F546-L552 HydrophobicContact CZ-CD1 4.47Å; L552-M578 HydrophobicContact CD2-CE 4.11Å; L552-M578 HydrophobicContact CD2-CG 3.87Å; L552-M578 HydrophobicContact CD2-SD 4.03Å; L552-M578 HydrophobicContact CG-CG 3.79Å; L552-M578 HydrophobicContact CG-SD 4.41Å
553	V	95.9	Very high	90.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	-24.9	-175.8	-71.5	0	0	0	0	114.4	T461 V463 V545 D547 S551 M578	T461-V553 HydrophobicContact CG2-CG1 3.63Å; V463-V553 HydrophobicContact CG2-CB 4.38Å; V545-V553 HydrophobicContact CG1-CG2 4.29Å; V545-V553 WeakPolarHBondContact O-CG2 3.5Å; V545-V553 PolarHBondContact O-N 3.21Å; D547-V553 HydrophobicContact CB-CG1 3.97Å; D547-V553 HydrophobicContact CB-CG2 4.41Å; S551-V553 PolarHBondContact O-N 2.83Å; V553-M578 PolarHBondContact O-N 3.09Å
554	A	96.8	Very high	88.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	173.2	177.1	0	0	0	0	0	111.5	I530 V545 S576	I530-A554 HydrophobicContact CG2-CB 3.35Å; V545-A554 HydrophobicContact CB-CB 3.93Å; V545-A554 WeakPolarHBondContact CB-O 3.25Å; V545-A554 HydrophobicContact CG1-CB 4.47Å; V545-A554 HydrophobicContact CG2-CB 4.17Å; V545-A554 PolarHBondContact N-O 3.22Å; V545-A554 PolarHBondContact O-N 3.38Å; A554-S576 VanDerWaalsContact CA-O 3.3Å; A554-S576 WeakPolarHBondContact CA-O 3.1Å; A554-S576 VanDerWaalsContact CB-O 3.26Å; A554-S576 WeakPolarHBondContact CB-O 3.49Å
555	M	97.5	Very high	87.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.9	166.4	-178.6	174.7	69.4	0	0	108.3	F373 L381 T382 D439 S543 G575 S576 I581	F373-M555 HydrophobicContact CE1-CB 4.35Å; F373-M555 HydrophobicContact CE1-CG 4.01Å; F373-M555 HydrophobicContact CE1-SD 3.96Å; L381-M555 HydrophobicContact CB-SD 4.23Å; T382-M555 WeakPolarHBondContact O-CE 3.32Å; D439-M555 WeakPolarHBondContact O-CE 3.24Å; S543-M555 CarbonylContact O-C 3.58Å; S543-M555 WeakPolarHBondContact O-CA 3.26Å; M555-G575 CarbonylContact O-C 3.56Å; M555-G575 VanDerWaalsContact O-C 3.27Å; M555-G575 WeakPolarHBondContact O-CA 3.27Å; M555-S576 PolarHBondContact N-O 3.22Å; M555-S576 PolarHBondContact O-N 3Å; M555-S576 VanDerWaalsContact O-N 3.08Å; M555-I581 HydrophobicContact CB-CD1 4.38Å; M555-I581 HydrophobicContact CE-CD1 4.31Å
556	H	96.9	Very high	86.4	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.2	176.5	174.7	63	0	0	0	110.4	C383 I471 Y532 A540 G542 S543 V545 E573 F574	C383-H556 PolarHBondContact SG-O 2.76Å; C383-H556 VanDerWaalsContact SG-O 3.4Å; I471-H556 HydrophobicContact CG2-CB 4.19Å; Y532-H556 AromaticContact CE2-ND1 3.64Å; Y532-H556 AromaticContact CZ-ND1 3.7Å; Y532-H556 WeakPolarHBondContact OH-CA 3.49Å; Y532-H556 WeakPolarHBondContact OH-CB 3.45Å; Y532-H556 PolarHBondContact OH-ND1 3.29Å; A540-H556 PolarHBondContact O-CD2 3.27Å; G542-H556 PolarHBondContact N-O 3.08Å; S543-H556 PolarHBondContact O-N 3.47Å; V545-H556 HydrophobicContact CG2-CB 4.16Å; H556-E573 IonicContact CE1-OE2 3.07Å; H556-E573 PolarHBondContact CE1-OE2 2.96Å; H556-F574 PolarHBondContact ND1-O 3.4Å
557	V	93.1	Very high	85.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-66.5	-170.8	166.9	0	0	0	0	111	Y24 H385 D439 F574	Y24-V557 HydrophobicContact CE2-CG1 3.85Å; H385-V557 PolarHBondContact CE1-O 2.85Å; D439-V557 HydrophobicContact CB-CG1 4Å; D439-V557 HydrophobicContact CB-CG2 4.37Å; D439-V557 WeakPolarHBondContact OD2-CG1 3.2Å; V557-F574 HydrophobicContact CB-CD2 4.37Å; V557-F574 HydrophobicContact CB-CE2 4.13Å; V557-F574 HydrophobicContact CG1-CD2 4.45Å; V557-F574 HydrophobicContact CG1-CE2 3.73Å; V557-F574 HydrophobicContact CG1-CZ 4.12Å; V557-F574 PolarHBondContact N-O 2.64Å
558	A	88.2	Confident	84.6	Confident	29 Å²	29	43.4 Å²	43.4	24%	0.24	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-177.3	-172.2	0	0	0	0	0	111.5	F574	A558-F574 HydrophobicContact CB-CE1 3.89Å; A558-F574 HydrophobicContact CB-CZ 3.9Å; A558-F574 PolarHBondContact N-O 3.26Å; A558-F574 WeakPolarHBondContact O-CD1 3.19Å; A558-F574 WeakPolarHBondContact O-CE1 3.33Å; A558-F574 PolarHBondContact O-N 3.17Å
559	G	85.2	Confident	84	Confident	7 Å²	7	44.4 Å²	44.4	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-179.1	169.9	0	0	0	0	0	114.7	I21 T561 I572 E573	I21-G559 WeakPolarHBondContact CD1-O 3.47Å; G559-T561 PolarHBondContact O-N 3.29Å; G559-T561 VanDerWaalsContact O-N 3.1Å; G559-I572 VanDerWaalsContact CA-O 3.31Å; G559-I572 WeakPolarHBondContact CA-O 3.34Å; G559-E573 VanDerWaalsContact CA-CD 3.48Å; G559-E573 WeakPolarHBondContact CA-OE1 3.17Å; G559-E573 WeakPolarHBondContact CA-OE2 3.32Å; G559-E573 PolarHBondContact N-OE2 3.41Å; G559-E573 VanDerWaalsContact N-OE2 3.07Å
560	F	80.4	Confident	83.6	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	74.4	-165.9	-66.6	-92.4	0	0	0	111.9	I21 F25 Y515 S519 F520 I523 I571 I572	I21-F560 HydrophobicContact CD1-CB 4.2Å; I21-F560 HydrophobicContact CD1-CD1 3.45Å; I21-F560 VanDerWaalsContact CD1-CD1 3.45Å; I21-F560 HydrophobicContact CD1-CE1 3.91Å; I21-F560 HydrophobicContact CD1-CG 3.85Å; I21-F560 HydrophobicContact CG2-CE1 4.3Å; F25-F560 HydrophobicContact CE2-CZ 4.28Å; Y515-F560 AromaticContact CD1-CD1 3.77Å; Y515-F560 HydrophobicContact CD1-CD1 3.77Å; Y515-F560 HydrophobicContact CD1-CE1 4.41Å; Y515-F560 AromaticContact CE1-CD1 3.78Å; Y515-F560 HydrophobicContact CE1-CD1 3.78Å; Y515-F560 HydrophobicContact CE2-CB 4.5Å; Y515-F560 HydrophobicContact CG-CD1 4.33Å; S519-F560 WeakPolarHBondContact O-CE1 3.41Å; S519-F560 WeakPolarHBondContact O-CZ 3.4Å; F520-F560 AromaticContact CD1-CD1 3.91Å; F520-F560 HydrophobicContact CD1-CD1 3.91Å; F520-F560 AromaticContact CD1-CD2 3.85Å; F520-F560 HydrophobicContact CD1-CD2 3.85Å; F520-F560 AromaticContact CD1-CE1 3.92Å; F520-F560 HydrophobicContact CD1-CE1 3.92Å; F520-F560 AromaticContact CD1-CE2 3.83Å; F520-F560 HydrophobicContact CD1-CE2 3.83Å; F520-F560 AromaticContact CD1-CG 3.88Å; F520-F560 HydrophobicContact CD1-CG 3.88Å; F520-F560 AromaticContact CD1-CZ 3.87Å; F520-F560 HydrophobicContact CD1-CZ 3.87Å; F520-F560 HydrophobicContact CE1-CB 3.86Å; F520-F560 AromaticContact CE1-CD1 3.56Å; F520-F560 HydrophobicContact CE1-CD1 3.56Å; F520-F560 AromaticContact CE1-CD2 3.9Å; F520-F560 HydrophobicContact CE1-CD2 3.9Å; F520-F560 HydrophobicContact CE1-CE1 4.04Å; F520-F560 HydrophobicContact CE1-CE2 4.3Å; F520-F560 AromaticContact CE1-CG 3.49Å; F520-F560 HydrophobicContact CE1-CG 3.49Å; F520-F560 VanDerWaalsContact CE1-CG 3.49Å; F520-F560 HydrophobicContact CE1-CZ 4.38Å; F520-F560 HydrophobicContact CZ-CD1 4.32Å; I523-F560 HydrophobicContact CD1-CE2 3.53Å; I523-F560 HydrophobicContact CD1-CZ 3.8Å; F560-I571 HydrophobicContact CB-CB 4.01Å; F560-I571 PolarHBondContact O-N 3.41Å; F560-I572 HydrophobicContact CB-CG2 4.49Å; F560-I572 HydrophobicContact CD2-CG2 3.47Å; F560-I572 VanDerWaalsContact CD2-CG2 3.47Å; F560-I572 HydrophobicContact CE2-CG2 4.05Å; F560-I572 HydrophobicContact CG-CG2 4.32Å; F560-I572 PolarHBondContact N-O 3.1Å
561	T	75.7	Confident	83	Confident	27 Å²	27	37.8 Å²	37.8	17%	0.166	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.2	-176.6	62.1	0	0	0	0	113.4	Y515 F537 G559 T568 R569	Y515-T561 VanDerWaalsContact CE2-O 3.27Å; Y515-T561 WeakPolarHBondContact CE2-O 3.5Å; Y515-T561 PolarHBondContact OH-O 3.4Å; F537-T561 HydrophobicContact CD1-CG2 3.51Å; F537-T561 HydrophobicContact CE1-CG2 3.84Å; G559-T561 PolarHBondContact O-N 3.29Å; G559-T561 VanDerWaalsContact O-N 3.1Å; T561-T568 HydrophobicContact CG2-CG2 4.28Å; T561-R569 CarbonylContact C-O 3.55Å; T561-R569 VanDerWaalsContact CA-O 3.27Å; T561-R569 WeakPolarHBondContact CA-O 3.33Å
562	Y	73.4	Confident	82.6	Confident	32 Å²	32	36.5 Å²	36.5	13%	0.125	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.6	173.6	68.9	-74.8	0	0	0	109.5	K504 R569 S570 I571	K504-Y562 HydrophobicContact CD-CE2 4.3Å; K504-Y562 VanDerWaalsContact CE-CE2 3.45Å; K504-Y562 VanDerWaalsContact NZ-CD2 3.32Å; K504-Y562 VanDerWaalsContact NZ-CG 3.27Å; Y562-R569 HydrophobicContact CD1-CB 4.22Å; Y562-R569 WeakPolarHBondContact CD1-O 3.35Å; Y562-R569 HydrophobicContact CE1-CB 3.52Å; Y562-R569 WeakPolarHBondContact CE1-O 3.18Å; Y562-R569 HydrophobicContact CE2-CB 4.22Å; Y562-R569 PolarHBondContact N-O 3.43Å; Y562-R569 PolarHBondContact O-N 2.77Å; Y562-S570 WeakPolarHBondContact CE1-O 3.21Å; Y562-I571 HydrophobicContact CD1-CG1 4.05Å; Y562-I571 HydrophobicContact CE1-CG1 4.17Å
563	N	73	Confident	82.4	Confident	67 Å²	67	36.2 Å²	36.2	36%	0.358	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.6	177	-64.7	-24.4	0	0	0	109.9	N18 E567 T568	N18-N563 PolarHBondContact OD1-ND2 2.98Å; N563-E567 WeakPolarHBondContact CA-O 3.18Å; N563-T568 PolarHBondContact OD1-OG1 3.36Å
564	Y	68.7	Low	82.3	Confident	45 Å²	45	36.4 Å²	36.4	18%	0.176	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.7	176.1	179.7	-90.3	0	0	0	109.9	N566 E567	Y564-N566 PolarHBondContact O-N 3.12Å; Y564-E567 PolarHBondContact N-O 3.06Å; Y564-E567 WeakPolarHBondContact O-CB 3.33Å; Y564-E567 PolarHBondContact O-N 3.29Å
565	Q	71	Confident	82.2	Confident	137 Å²	137	36.4 Å²	36.4	64%	0.64	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.6	-177.8	-64	179	-7.5	0	0	113.8	E567	Q565-E567 PolarHBondContact O-N 3.19Å
566	N	71.5	Confident	82.1	Confident	173 Å²	173	36.4 Å²	36.4	93%	0.925	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	10.8	-174.7	-55.5	-10.3	0	0	0	115.8	Y564	Y564-N566 PolarHBondContact O-N 3.12Å
567	E	74.9	Confident	82	Confident	105 Å²	105	36.7 Å²	36.7	49%	0.491	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.5	167.9	-62.7	174.9	172.5	0	0	110.5	N563 Y564 Q565 R569	N563-E567 WeakPolarHBondContact CA-O 3.18Å; Y564-E567 PolarHBondContact N-O 3.06Å; Y564-E567 WeakPolarHBondContact O-CB 3.33Å; Y564-E567 PolarHBondContact O-N 3.29Å; Q565-E567 PolarHBondContact O-N 3.19Å; E567-R569 HydrophobicContact CB-CG 4.49Å; E567-R569 IonicContact OE2-CZ 3.32Å; E567-R569 IonicContact OE2-NE 3.52Å; E567-R569 PolarHBondContact OE2-NE 3.26Å; E567-R569 VanDerWaalsContact OE2-NE 3.14Å; E567-R569 IonicContact OE2-NH2 2.85Å; E567-R569 PolarHBondContact OE2-NH2 3.29Å
568	T	75.9	Confident	82.2	Confident	34 Å²	34	36.9 Å²	36.9	21%	0.209	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.7	165.7	-52.1	0	0	0	0	109.1	F537 F538 T561 N563	F537-T568 HydrophobicContact CD1-CG2 4.15Å; F537-T568 HydrophobicContact CD2-CG2 4.48Å; F537-T568 HydrophobicContact CE1-CG2 4.27Å; F537-T568 HydrophobicContact CG-CG2 4.24Å; F537-T568 HydrophobicContact CZ-CG2 4.49Å; F538-T568 HydrophobicContact CE2-CG2 4.26Å; T561-T568 HydrophobicContact CG2-CG2 4.28Å; N563-T568 PolarHBondContact OD1-OG1 3.36Å
569	R	76.1	Confident	82.5	Confident	83 Å²	83	39.2 Å²	39.2	31%	0.313	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.2	178.9	-64.5	-177.8	-179.2	177.2	1.1	110.3	T561 Y562 E567	T561-R569 CarbonylContact C-O 3.55Å; T561-R569 VanDerWaalsContact CA-O 3.27Å; T561-R569 WeakPolarHBondContact CA-O 3.33Å; Y562-R569 HydrophobicContact CD1-CB 4.22Å; Y562-R569 WeakPolarHBondContact CD1-O 3.35Å; Y562-R569 HydrophobicContact CE1-CB 3.52Å; Y562-R569 WeakPolarHBondContact CE1-O 3.18Å; Y562-R569 HydrophobicContact CE2-CB 4.22Å; Y562-R569 PolarHBondContact N-O 3.43Å; Y562-R569 PolarHBondContact O-N 2.77Å; E567-R569 HydrophobicContact CB-CG 4.49Å; E567-R569 IonicContact OE2-CZ 3.32Å; E567-R569 IonicContact OE2-NE 3.52Å; E567-R569 PolarHBondContact OE2-NE 3.26Å; E567-R569 VanDerWaalsContact OE2-NE 3.14Å; E567-R569 IonicContact OE2-NH2 2.85Å; E567-R569 PolarHBondContact OE2-NH2 3.29Å
570	S	80.6	Confident	83	Confident	11 Å²	11	39.3 Å²	39.3	8%	0.077	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	158.4	172.3	-158.4	0	0	0	0	113.5	Y562 I572 E573	Y562-S570 WeakPolarHBondContact CE1-O 3.21Å; S570-I572 VanDerWaalsContact OG-C 3.28Å; S570-I572 PolarHBondContact OG-N 3.25Å; S570-I572 VanDerWaalsContact OG-N 3.08Å; S570-I572 PolarHBondContact OG-O 3.47Å; S570-E573 WeakPolarHBondContact CB-OE1 3.18Å; S570-E573 WeakPolarHBondContact OG-CG 3.48Å; S570-E573 PolarHBondContact OG-OE1 3.29Å
571	I	78.1	Confident	83.7	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-43.1	158.5	-65.3	171.6	0	0	0	110.3	C497 H500 Y515 F520 F560 Y562	C497-I571 HydrophobicContact CB-CG2 4.42Å; H500-I571 HydrophobicContact CB-CB 4.47Å; H500-I571 HydrophobicContact CB-CG1 4.33Å; H500-I571 HydrophobicContact CB-CG2 3.82Å; Y515-I571 HydrophobicContact CD2-CD1 3.8Å; Y515-I571 HydrophobicContact CG-CD1 4.48Å; F520-I571 HydrophobicContact CE1-CB 4.38Å; F520-I571 HydrophobicContact CE1-CD1 4.36Å; F520-I571 HydrophobicContact CE1-CG2 3.83Å; F520-I571 HydrophobicContact CZ-CD1 3.96Å; F520-I571 HydrophobicContact CZ-CG2 4.11Å; F560-I571 HydrophobicContact CB-CB 4.01Å; F560-I571 PolarHBondContact O-N 3.41Å; Y562-I571 HydrophobicContact CD1-CG1 4.05Å; Y562-I571 HydrophobicContact CE1-CG1 4.17Å
572	I	85.9	Confident	84.6	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	131.9	179.5	-171.3	161.1	0	0	0	108.8	I488 R493 F520 T531 G559 F560 S570	I488-I572 HydrophobicContact CD1-CD1 3.8Å; I488-I572 HydrophobicContact CD1-CG1 3.66Å; I488-I572 HydrophobicContact CG2-CD1 4.32Å; R493-I572 HydrophobicContact CB-CD1 4.31Å; R493-I572 HydrophobicContact CG-CD1 4.16Å; F520-I572 HydrophobicContact CD1-CG2 4.15Å; F520-I572 HydrophobicContact CE1-CG2 4.36Å; T531-I572 HydrophobicContact CG2-CD1 3.93Å; T531-I572 HydrophobicContact CG2-CG1 4.18Å; G559-I572 VanDerWaalsContact CA-O 3.31Å; G559-I572 WeakPolarHBondContact CA-O 3.34Å; F560-I572 HydrophobicContact CB-CG2 4.49Å; F560-I572 HydrophobicContact CD2-CG2 3.47Å; F560-I572 VanDerWaalsContact CD2-CG2 3.47Å; F560-I572 HydrophobicContact CE2-CG2 4.05Å; F560-I572 HydrophobicContact CG-CG2 4.32Å; F560-I572 PolarHBondContact N-O 3.1Å; S570-I572 VanDerWaalsContact OG-C 3.28Å; S570-I572 PolarHBondContact OG-N 3.25Å; S570-I572 VanDerWaalsContact OG-N 3.08Å; S570-I572 PolarHBondContact OG-O 3.47Å
573	E	91.6	Very high	85.6	Confident	3 Å²	3	40.1 Å²	40.1	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	153.9	174.1	-64.7	-63.2	135	0	0	109.6	T531 Y532 T534 H556 G559 S570	T531-E573 CarbonylContact C-O 3.59Å; T531-E573 VanDerWaalsContact CA-O 3.27Å; T531-E573 WeakPolarHBondContact CA-O 3.41Å; Y532-E573 HydrophobicContact CD2-CB 3.77Å; Y532-E573 HydrophobicContact CE2-CB 3.7Å; Y532-E573 PolarHBondContact N-O 3.04Å; Y532-E573 PolarHBondContact O-N 2.96Å; T534-E573 HydrophobicContact CG2-CB 3.75Å; T534-E573 HydrophobicContact CG2-CG 3.63Å; H556-E573 IonicContact CE1-OE2 3.07Å; H556-E573 PolarHBondContact CE1-OE2 2.96Å; G559-E573 VanDerWaalsContact CA-CD 3.48Å; G559-E573 WeakPolarHBondContact CA-OE1 3.17Å; G559-E573 WeakPolarHBondContact CA-OE2 3.32Å; G559-E573 PolarHBondContact N-OE2 3.41Å; G559-E573 VanDerWaalsContact N-OE2 3.07Å; S570-E573 WeakPolarHBondContact CB-OE1 3.18Å; S570-E573 WeakPolarHBondContact OG-CG 3.48Å; S570-E573 PolarHBondContact OG-OE1 3.29Å
574	F	93.3	Very high	86.7	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.022	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	164.5	-177.4	71.4	-84.2	0	0	0	113.6	Y24 I523 V529 I530 T531 Y532 H556 V557 A558	Y24-F574 HydrophobicContact CD1-CZ 4.49Å; Y24-F574 HydrophobicContact CD2-CZ 4.34Å; Y24-F574 HydrophobicContact CE1-CE2 4.3Å; Y24-F574 HydrophobicContact CE1-CZ 4.11Å; Y24-F574 AromaticContact CE2-CE2 3.98Å; Y24-F574 HydrophobicContact CE2-CE2 3.98Å; Y24-F574 AromaticContact CE2-CZ 3.91Å; Y24-F574 HydrophobicContact CE2-CZ 3.91Å; Y24-F574 AromaticContact CZ-CE2 3.7Å; Y24-F574 AromaticContact CZ-CZ 3.81Å; I523-F574 HydrophobicContact CD1-CD1 3.53Å; I523-F574 HydrophobicContact CD1-CD2 4.26Å; I523-F574 HydrophobicContact CD1-CE1 3.31Å; I523-F574 HydrophobicContact CD1-CE2 4.06Å; I523-F574 HydrophobicContact CD1-CG 4.01Å; I523-F574 HydrophobicContact CD1-CZ 3.59Å; I523-F574 HydrophobicContact CG1-CD1 4.34Å; I523-F574 HydrophobicContact CG1-CD2 4.41Å; I523-F574 HydrophobicContact CG1-CE1 4.39Å; I523-F574 HydrophobicContact CG1-CE2 4.45Å; I523-F574 HydrophobicContact CG1-CG 4.35Å; I523-F574 HydrophobicContact CG1-CZ 4.44Å; I523-F574 HydrophobicContact CG2-CB 4.33Å; I523-F574 HydrophobicContact CG2-CG 4.47Å; V529-F574 HydrophobicContact CB-CD2 4.35Å; V529-F574 HydrophobicContact CG1-CD2 4.05Å; I530-F574 CarbonylContact O-C 3.53Å; I530-F574 WeakPolarHBondContact O-CA 3.37Å; I530-F574 WeakPolarHBondContact O-CB 3.24Å; T531-F574 HydrophobicContact CG2-CB 3.92Å; Y532-F574 PolarHBondContact OH-O 3.36Å; H556-F574 PolarHBondContact ND1-O 3.4Å; V557-F574 HydrophobicContact CB-CD2 4.37Å; V557-F574 HydrophobicContact CB-CE2 4.13Å; V557-F574 HydrophobicContact CG1-CD2 4.45Å; V557-F574 HydrophobicContact CG1-CE2 3.73Å; V557-F574 HydrophobicContact CG1-CZ 4.12Å; V557-F574 PolarHBondContact N-O 2.64Å; A558-F574 HydrophobicContact CB-CE1 3.89Å; A558-F574 HydrophobicContact CB-CZ 3.9Å; A558-F574 PolarHBondContact N-O 3.26Å; A558-F574 WeakPolarHBondContact O-CD1 3.19Å; A558-F574 WeakPolarHBondContact O-CE1 3.33Å; A558-F574 PolarHBondContact O-N 3.17Å
575	G	94.8	Very high	87.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	143.3	175.1	0	0	0	0	0	111.7	V529 I530 M555	V529-G575 CarbonylContact C-O 3.49Å; V529-G575 VanDerWaalsContact CA-O 3.31Å; V529-G575 WeakPolarHBondContact CA-O 3.31Å; I530-G575 VanDerWaalsContact CG2-O 3.27Å; I530-G575 WeakPolarHBondContact CG2-O 3.26Å; I530-G575 PolarHBondContact N-O 3.37Å; I530-G575 PolarHBondContact O-N 3.1Å; M555-G575 CarbonylContact O-C 3.56Å; M555-G575 VanDerWaalsContact O-C 3.27Å; M555-G575 WeakPolarHBondContact O-CA 3.27Å
576	S	95.7	Very high	89	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.2	176.1	-59.6	0	0	0	0	110.3	L438 A554 M555	L438-S576 VanDerWaalsContact O-CB 3.24Å; L438-S576 WeakPolarHBondContact O-CB 3.03Å; L438-S576 PolarHBondContact O-OG 2.9Å; A554-S576 VanDerWaalsContact CA-O 3.3Å; A554-S576 WeakPolarHBondContact CA-O 3.1Å; A554-S576 VanDerWaalsContact CB-O 3.26Å; A554-S576 WeakPolarHBondContact CB-O 3.49Å; M555-S576 PolarHBondContact N-O 3.22Å; M555-S576 PolarHBondContact O-N 3Å; M555-S576 VanDerWaalsContact O-N 3.08Å
577	T	95.8	Very high	90.1	Very high	7 Å²	7	31 Å²	31	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	144.4	-179.8	82.3	0	0	0	0	111	V463 D528 E579 S580 I581	V463-T577 HydrophobicContact CB-CG2 4.48Å; V463-T577 HydrophobicContact CG2-CG2 3.54Å; D528-T577 WeakPolarHBondContact O-CG2 3.39Å; D528-T577 PolarHBondContact O-N 3.22Å; T577-E579 PolarHBondContact O-N 2.98Å; T577-E579 PolarHBondContact OG1-N 3.22Å; T577-S580 PolarHBondContact O-N 3.46Å; T577-S580 WeakPolarHBondContact OG1-CB 3.41Å; T577-S580 PolarHBondContact OG1-N 2.99Å; T577-S580 PolarHBondContact OG1-OG 3.15Å; T577-I581 WeakPolarHBondContact O-CG1 3.39Å; T577-I581 PolarHBondContact O-N 3.28Å; T577-I581 VanDerWaalsContact O-N 3.07Å
578	M	96.3	Very high	91.1	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-29.6	172.9	-73.2	-49.9	-57.6	0	0	111.2	F373 F375 L381 L552 V553 I581 L582	F373-M578 HydrophobicContact CZ-SD 4.22Å; F375-M578 HydrophobicContact CD2-CE 4.28Å; F375-M578 HydrophobicContact CE2-CE 3.72Å; F375-M578 HydrophobicContact CZ-CE 4.43Å; L381-M578 HydrophobicContact CD1-CE 3.74Å; L381-M578 HydrophobicContact CD1-SD 4.43Å; L552-M578 HydrophobicContact CD2-CE 4.11Å; L552-M578 HydrophobicContact CD2-CG 3.87Å; L552-M578 HydrophobicContact CD2-SD 4.03Å; L552-M578 HydrophobicContact CG-CG 3.79Å; L552-M578 HydrophobicContact CG-SD 4.41Å; V553-M578 PolarHBondContact O-N 3.09Å; M578-I581 HydrophobicContact SD-CD1 4.17Å; M578-L582 HydrophobicContact CB-CD1 4.34Å; M578-L582 HydrophobicContact CE-CG 4.49Å; M578-L582 WeakPolarHBondContact O-CB 3.48Å; M578-L582 WeakPolarHBondContact O-CD1 3.45Å; M578-L582 WeakPolarHBondContact O-CG 3.21Å; M578-L582 PolarHBondContact O-N 3.1Å
579	E	94.7	Very high	92	Very high	77 Å²	77	32.5 Å²	32.5	36%	0.36	15%	0.146	S	C	.	.	H	α-helix	trans	-60.5	-50.9	175.5	-177.1	165.3	-159	0	0	111.3	I460 T577 L582 L583	I460-E579 HydrophobicContact CG2-CB 4.19Å; I460-E579 HydrophobicContact CG2-CG 4.07Å; T577-E579 PolarHBondContact O-N 2.98Å; T577-E579 PolarHBondContact OG1-N 3.22Å; E579-L582 PolarHBondContact O-N 3.04Å; E579-L583 HydrophobicContact CG-CD1 4.01Å; E579-L583 WeakPolarHBondContact O-CB 3.24Å; E579-L583 VanDerWaalsContact O-CG 3.23Å; E579-L583 WeakPolarHBondContact O-CG 3.4Å; E579-L583 PolarHBondContact O-N 2.94Å
580	S	94.9	Very high	92.8	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-45	176.9	-50.2	0	0	0	0	112	D528 T577 L582 L583 D584	D528-S580 WeakPolarHBondContact CA-OG 3.35Å; D528-S580 VanDerWaalsContact CB-OG 3.28Å; D528-S580 WeakPolarHBondContact CB-OG 3.37Å; D528-S580 WeakPolarHBondContact OD1-CB 3.43Å; D528-S580 PolarHBondContact OD1-OG 3.13Å; T577-S580 PolarHBondContact O-N 3.46Å; T577-S580 WeakPolarHBondContact OG1-CB 3.41Å; T577-S580 PolarHBondContact OG1-N 2.99Å; T577-S580 PolarHBondContact OG1-OG 3.15Å; S580-L582 PolarHBondContact O-N 2.88Å; S580-L583 PolarHBondContact O-N 3.26Å; S580-D584 VanDerWaalsContact O-CB 3.27Å; S580-D584 WeakPolarHBondContact O-CB 3.36Å; S580-D584 PolarHBondContact O-N 3.29Å
581	I	95.9	Very high	93.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-44.5	175.8	-66.2	168.2	0	0	0	111.1	Y440 M555 T577 M578 D584 I585	Y440-I581 HydrophobicContact CD1-CB 4.33Å; Y440-I581 HydrophobicContact CD1-CG1 3.84Å; Y440-I581 HydrophobicContact CD1-CG2 3.95Å; Y440-I581 HydrophobicContact CD2-CG2 3.98Å; Y440-I581 HydrophobicContact CE1-CG1 4.46Å; Y440-I581 HydrophobicContact CE1-CG2 4.15Å; Y440-I581 HydrophobicContact CE2-CG2 4.21Å; Y440-I581 HydrophobicContact CG-CG1 4.2Å; Y440-I581 HydrophobicContact CG-CG2 3.87Å; M555-I581 HydrophobicContact CB-CD1 4.38Å; M555-I581 HydrophobicContact CE-CD1 4.31Å; T577-I581 WeakPolarHBondContact O-CG1 3.39Å; T577-I581 PolarHBondContact O-N 3.28Å; T577-I581 VanDerWaalsContact O-N 3.07Å; M578-I581 HydrophobicContact SD-CD1 4.17Å; I581-D584 WeakPolarHBondContact O-CB 3.25Å; I581-D584 PolarHBondContact O-N 3.42Å; I581-I585 HydrophobicContact CG2-CD1 3.85Å; I581-I585 HydrophobicContact CG2-CG1 4.49Å; I581-I585 VanDerWaalsContact O-CG1 3.28Å; I581-I585 WeakPolarHBondContact O-CG1 3.25Å; I581-I585 PolarHBondContact O-N 3.07Å
582	L	94.2	Very high	94.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-72.1	-39.5	-179	-73.5	162.1	0	0	0	112.8	F375 Y457 I460 M578 E579 S580 D584 K586	F375-L582 HydrophobicContact CE2-CD2 4.15Å; F375-L582 HydrophobicContact CZ-CD2 3.73Å; Y457-L582 HydrophobicContact CD2-CD1 4.13Å; Y457-L582 HydrophobicContact CD2-CD2 4.21Å; Y457-L582 HydrophobicContact CE2-CD1 3.51Å; Y457-L582 HydrophobicContact CE2-CD2 3.73Å; Y457-L582 HydrophobicContact CE2-CG 4.3Å; I460-L582 HydrophobicContact CG1-CD1 3.76Å; M578-L582 HydrophobicContact CB-CD1 4.34Å; M578-L582 HydrophobicContact CE-CG 4.49Å; M578-L582 WeakPolarHBondContact O-CB 3.48Å; M578-L582 WeakPolarHBondContact O-CD1 3.45Å; M578-L582 WeakPolarHBondContact O-CG 3.21Å; M578-L582 PolarHBondContact O-N 3.1Å; E579-L582 PolarHBondContact O-N 3.04Å; S580-L582 PolarHBondContact O-N 2.88Å; L582-D584 PolarHBondContact O-N 3.42Å; L582-K586 WeakPolarHBondContact O-CB 3.49Å; L582-K586 WeakPolarHBondContact O-CD 3.43Å; L582-K586 WeakPolarHBondContact O-CG 3.33Å; L582-K586 PolarHBondContact O-N 3.04Å
583	L	93.9	Very high	94.5	Very high	76 Å²	76	40.9 Å²	40.9	40%	0.398	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-38.3	173.1	-75.8	170.8	0	0	0	110.9	E579 S580 Q587	E579-L583 HydrophobicContact CG-CD1 4.01Å; E579-L583 WeakPolarHBondContact O-CB 3.24Å; E579-L583 VanDerWaalsContact O-CG 3.23Å; E579-L583 WeakPolarHBondContact O-CG 3.4Å; E579-L583 PolarHBondContact O-N 2.94Å; S580-L583 PolarHBondContact O-N 3.26Å; L583-Q587 VanDerWaalsContact O-CG 3.26Å; L583-Q587 WeakPolarHBondContact O-CG 3.38Å; L583-Q587 PolarHBondContact O-N 3.2Å; L583-Q587 PolarHBondContact O-NE2 3.41Å
584	D	95.9	Very high	94.4	Very high	13 Å²	13	45 Å²	45	7%	0.07	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-52.3	176.9	-176.2	38.9	0	0	0	112.8	L438 Y440 S580 I581 L582 K586 Q587 R588	L438-D584 HydrophobicContact CD1-CB 3.71Å; Y440-D584 HydrophobicContact CE1-CB 4.42Å; Y440-D584 VanDerWaalsContact CE1-OD2 3.26Å; Y440-D584 WeakPolarHBondContact CE1-OD2 3.37Å; Y440-D584 PolarHBondContact OH-OD2 3.41Å; S580-D584 VanDerWaalsContact O-CB 3.27Å; S580-D584 WeakPolarHBondContact O-CB 3.36Å; S580-D584 PolarHBondContact O-N 3.29Å; I581-D584 WeakPolarHBondContact O-CB 3.25Å; I581-D584 PolarHBondContact O-N 3.42Å; L582-D584 PolarHBondContact O-N 3.42Å; D584-K586 PolarHBondContact O-N 3.4Å; D584-Q587 PolarHBondContact O-N 3.31Å; D584-R588 PolarHBondContact O-N 2.89Å; D584-R588 IonicContact OD1-CZ 2.67Å; D584-R588 IonicContact OD1-NE 2.77Å; D584-R588 PolarHBondContact OD1-NE 3.48Å; D584-R588 IonicContact OD1-NH2 3.51Å; D584-R588 PolarHBondContact OD1-NH2 2.87Å; D584-R588 IonicContact OD2-CZ 3.52Å; D584-R588 IonicContact OD2-NE 3.48Å; D584-R588 PolarHBondContact OD2-NE 3.33Å; D584-R588 IonicContact OD2-NH2 2.94Å; D584-R588 PolarHBondContact OD2-NH2 2.92Å
585	I	95.3	Very high	94.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.2	-42.5	176.4	-70.6	172.2	0	0	0	110.7	F375 I433 Y440 V442 I581 Q587 Y589 W592 Y593	F375-I585 HydrophobicContact CE1-CD1 4.14Å; F375-I585 HydrophobicContact CZ-CD1 4.36Å; I433-I585 HydrophobicContact CG2-CG1 4.23Å; Y440-I585 HydrophobicContact CE2-CD1 3.85Å; Y440-I585 HydrophobicContact CE2-CG1 3.75Å; Y440-I585 WeakPolarHBondContact OH-CG1 3.49Å; V442-I585 HydrophobicContact CG2-CD1 4.41Å; I581-I585 HydrophobicContact CG2-CD1 3.85Å; I581-I585 HydrophobicContact CG2-CG1 4.49Å; I581-I585 VanDerWaalsContact O-CG1 3.28Å; I581-I585 WeakPolarHBondContact O-CG1 3.25Å; I581-I585 PolarHBondContact O-N 3.07Å; I585-Q587 VanDerWaalsContact C-N 3.29Å; I585-Q587 PolarHBondContact O-N 2.92Å; I585-Y589 CarbonylContact O-C 3.49Å; I585-Y589 VanDerWaalsContact O-C 3.24Å; I585-Y589 VanDerWaalsContact O-CA 3.27Å; I585-Y589 WeakPolarHBondContact O-CA 3.31Å; I585-Y589 WeakPolarHBondContact O-CB 3.46Å; I585-Y589 PolarHBondContact O-N 3.09Å; I585-W592 HydrophobicContact CG2-CE3 3.88Å; I585-W592 HydrophobicContact CG2-CZ3 3.64Å; I585-Y593 HydrophobicContact CG2-CD2 3.91Å
586	K	93.6	Very high	94	Very high	66 Å²	66	53.3 Å²	53.3	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-32.1	175.4	-77.3	170.2	177.3	-178.6	0	114.1	L582 D584 K590 Y593	L582-K586 WeakPolarHBondContact O-CB 3.49Å; L582-K586 WeakPolarHBondContact O-CD 3.43Å; L582-K586 WeakPolarHBondContact O-CG 3.33Å; L582-K586 PolarHBondContact O-N 3.04Å; D584-K586 PolarHBondContact O-N 3.4Å; K586-K590 WeakPolarHBondContact O-CB 3.18Å; K586-Y593 HydrophobicContact CD-CE1 4.36Å; K586-Y593 HydrophobicContact CD-CE2 4.23Å; K586-Y593 WeakPolarHBondContact CE-OH 3.23Å; K586-Y593 HydrophobicContact CG-CD1 3.8Å; K586-Y593 HydrophobicContact CG-CD2 3.62Å; K586-Y593 HydrophobicContact CG-CE1 3.84Å; K586-Y593 HydrophobicContact CG-CE2 3.62Å; K586-Y593 HydrophobicContact CG-CG 3.72Å
587	Q	94.6	Very high	93.4	Very high	150 Å²	150	54.4 Å²	54.4	70%	0.701	26%	0.256	S	S	*	.	H	α-helix	trans	-88.8	-50.6	-176.6	-73	174.6	46.9	0	0	112.1	L583 D584 I585	L583-Q587 VanDerWaalsContact O-CG 3.26Å; L583-Q587 WeakPolarHBondContact O-CG 3.38Å; L583-Q587 PolarHBondContact O-N 3.2Å; L583-Q587 PolarHBondContact O-NE2 3.41Å; D584-Q587 PolarHBondContact O-N 3.31Å; I585-Q587 VanDerWaalsContact C-N 3.29Å; I585-Q587 PolarHBondContact O-N 2.92Å
588	R	95.9	Very high	92.5	Very high	118 Å²	118	57.3 Å²	57.3	45%	0.445	27%	0.274	S	S	.	.	H	α-helix	trans	-81.6	-30.1	-177.3	-71.5	-163.2	-93.2	-134.9	-6.9	113.2	N435 E437 D584	N435-R588 VanDerWaalsContact ND2-CZ 3.28Å; N435-R588 PolarHBondContact ND2-NH1 2.94Å; N435-R588 PolarHBondContact ND2-NH2 2.87Å; N435-R588 PolarHBondContact OD1-NH2 3.47Å; E437-R588 IonicContact OE2-CZ 3.26Å; E437-R588 IonicContact OE2-NH1 2.95Å; E437-R588 PolarHBondContact OE2-NH1 2.75Å; E437-R588 VanDerWaalsContact OE2-NH1 3.17Å; E437-R588 IonicContact OE2-NH2 3.3Å; D584-R588 PolarHBondContact O-N 2.89Å; D584-R588 IonicContact OD1-CZ 2.67Å; D584-R588 IonicContact OD1-NE 2.77Å; D584-R588 PolarHBondContact OD1-NE 3.48Å; D584-R588 IonicContact OD1-NH2 3.51Å; D584-R588 PolarHBondContact OD1-NH2 2.87Å; D584-R588 IonicContact OD2-CZ 3.52Å; D584-R588 IonicContact OD2-NE 3.48Å; D584-R588 PolarHBondContact OD2-NE 3.33Å; D584-R588 IonicContact OD2-NH2 2.94Å; D584-R588 PolarHBondContact OD2-NH2 2.92Å
589	Y	94.9	Very high	90.6	Very high	53 Å²	53	60 Å²	60	21%	0.208	29%	0.292	C	S	.	.	S	Bend	trans	-125.9	36.4	-172.1	-56.6	-77.2	0	0	0	112.9	E432 I433 H434 I585 P591 W592 Y593	E432-Y589 WeakPolarHBondContact O-CE1 2.8Å; E432-Y589 PolarHBondContact O-OH 2.89Å; E432-Y589 VanDerWaalsContact O-OH 3.08Å; I433-Y589 HydrophobicContact CB-CE1 4.47Å; I433-Y589 HydrophobicContact CB-CE2 4.47Å; I433-Y589 HydrophobicContact CB-CG 4.49Å; I433-Y589 HydrophobicContact CD1-CD1 4.38Å; I433-Y589 HydrophobicContact CD1-CG 4.3Å; I433-Y589 HydrophobicContact CG1-CD1 3.79Å; I433-Y589 HydrophobicContact CG1-CD2 4.49Å; I433-Y589 HydrophobicContact CG1-CE1 4.05Å; I433-Y589 HydrophobicContact CG1-CG 4Å; I433-Y589 HydrophobicContact CG2-CD2 3.79Å; I433-Y589 HydrophobicContact CG2-CE2 3.97Å; I433-Y589 HydrophobicContact CG2-CG 4.09Å; H434-Y589 PolarHBondContact N-OH 3.48Å; H434-Y589 PolarHBondContact O-OH 2.92Å; H434-Y589 VanDerWaalsContact O-OH 3.13Å; I585-Y589 CarbonylContact O-C 3.49Å; I585-Y589 VanDerWaalsContact O-C 3.24Å; I585-Y589 VanDerWaalsContact O-CA 3.27Å; I585-Y589 WeakPolarHBondContact O-CA 3.31Å; I585-Y589 WeakPolarHBondContact O-CB 3.46Å; I585-Y589 PolarHBondContact O-N 3.09Å; Y589-P591 VanDerWaalsContact C-CD 3.49Å; Y589-W592 PolarHBondContact O-N 3.21Å; Y589-W592 VanDerWaalsContact O-N 3.16Å; Y589-Y593 PolarHBondContact O-N 2.95Å
590	K	92.9	Very high	88.3	Confident	111 Å²	111	64.6 Å²	64.6	48%	0.483	31%	0.314	S	S	.	.	H	α-helix	trans	-46.1	-48.5	-174.2	-174	-176.5	169.9	-171.4	0	114.9	K586 W592 Y593 E594	K586-K590 WeakPolarHBondContact O-CB 3.18Å; K590-W592 PolarHBondContact O-N 3.35Å; K590-Y593 WeakPolarHBondContact O-CB 3.15Å; K590-Y593 PolarHBondContact O-N 2.64Å; K590-E594 WeakPolarHBondContact CE-OE1 3.39Å; K590-E594 VanDerWaalsContact CE-OE2 3.3Å; K590-E594 WeakPolarHBondContact CE-OE2 3.42Å; K590-E594 HydrophobicContact CG-CG 4.44Å; K590-E594 IonicContact NZ-OE1 3.86Å; K590-E594 PolarHBondContact NZ-OE1 3.09Å; K590-E594 PolarHBondContact O-N 3.35Å
591	P	93.4	Very high	85.8	Confident	99 Å²	99	71.2 Å²	71.2	64%	0.643	34%	0.344	S	S	*	.	H	α-helix	trans	-62.8	-42.6	-177.1	-22.6	34.9	0	0	0	112.9	Y589 E594 E595	Y589-P591 VanDerWaalsContact C-CD 3.49Å; P591-E594 PolarHBondContact O-N 3.07Å; P591-E595 WeakPolarHBondContact O-CB 3.06Å; P591-E595 PolarHBondContact O-N 3.26Å
592	W	93.9	Very high	83.3	Confident	29 Å²	29	75.8 Å²	75.8	11%	0.11	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-37.5	175.1	178.7	91.7	0	0	0	111.8	F375 F379 I433 V442 I585 Y589 K590 E594 E595 V596 F597	F375-W592 HydrophobicContact CE1-CH2 4.33Å; F379-W592 HydrophobicContact CB-CZ2 4.46Å; F379-W592 AromaticContact CD1-CZ2 3.73Å; F379-W592 HydrophobicContact CD1-CZ2 3.73Å; F379-W592 AromaticContact CD2-CZ2 3.91Å; F379-W592 HydrophobicContact CD2-CZ2 3.91Å; F379-W592 AromaticContact CE1-CZ2 3.8Å; F379-W592 HydrophobicContact CE1-CZ2 3.8Å; F379-W592 AromaticContact CE1-NE1 3.6Å; F379-W592 HydrophobicContact CE2-CZ2 4Å; F379-W592 AromaticContact CG-CZ2 3.78Å; F379-W592 HydrophobicContact CG-CZ2 3.78Å; F379-W592 AromaticContact CZ-CE2 3.97Å; F379-W592 AromaticContact CZ-CZ2 3.94Å; F379-W592 HydrophobicContact CZ-CZ2 3.94Å; F379-W592 AromaticContact CZ-NE1 3.4Å; I433-W592 HydrophobicContact CD1-CB 3.9Å; I433-W592 HydrophobicContact CD1-CD2 3.06Å; I433-W592 VanDerWaalsContact CD1-CE2 3.41Å; I433-W592 HydrophobicContact CD1-CE3 3.37Å; I433-W592 HydrophobicContact CD1-CG 3.31Å; I433-W592 HydrophobicContact CD1-CH2 4.24Å; I433-W592 HydrophobicContact CD1-CZ2 4Å; I433-W592 HydrophobicContact CD1-CZ3 3.95Å; V442-W592 HydrophobicContact CG1-CH2 4.17Å; V442-W592 HydrophobicContact CG1-CZ2 4.13Å; V442-W592 HydrophobicContact CG2-CH2 4.49Å; I585-W592 HydrophobicContact CG2-CE3 3.88Å; I585-W592 HydrophobicContact CG2-CZ3 3.64Å; Y589-W592 PolarHBondContact O-N 3.21Å; Y589-W592 VanDerWaalsContact O-N 3.16Å; K590-W592 PolarHBondContact O-N 3.35Å; W592-E594 VanDerWaalsContact C-N 3.32Å; W592-E594 PolarHBondContact O-N 2.81Å; W592-E595 PolarHBondContact O-N 3.23Å; W592-V596 HydrophobicContact CD2-CB 4.43Å; W592-V596 HydrophobicContact CD2-CG2 3.94Å; W592-V596 HydrophobicContact CG-CG2 4.25Å; W592-V596 HydrophobicContact CH2-CG1 4.36Å; W592-V596 HydrophobicContact CZ2-CB 4.37Å; W592-V596 HydrophobicContact CZ2-CG1 4.26Å; W592-V596 HydrophobicContact CZ2-CG2 3.92Å; W592-V596 WeakPolarHBondContact O-CB 3.2Å; W592-V596 WeakPolarHBondContact O-CG2 3.48Å; W592-V596 PolarHBondContact O-N 3.48Å; W592-F597 HydrophobicContact CE3-CE2 4.45Å; W592-F597 HydrophobicContact CH2-CE2 4.08Å; W592-F597 AromaticContact CZ3-CE2 3.72Å; W592-F597 HydrophobicContact CZ3-CE2 3.72Å
593	Y	92	Very high	80.9	Confident	35 Å²	35	80.2 Å²	80.2	14%	0.137	40%	0.395	C	S	.	.	H	α-helix	trans	-60.9	-43.8	173.5	-178.8	-85.1	0	0	0	111.1	I585 K586 Y589 K590 F597	I585-Y593 HydrophobicContact CG2-CD2 3.91Å; K586-Y593 HydrophobicContact CD-CE1 4.36Å; K586-Y593 HydrophobicContact CD-CE2 4.23Å; K586-Y593 WeakPolarHBondContact CE-OH 3.23Å; K586-Y593 HydrophobicContact CG-CD1 3.8Å; K586-Y593 HydrophobicContact CG-CD2 3.62Å; K586-Y593 HydrophobicContact CG-CE1 3.84Å; K586-Y593 HydrophobicContact CG-CE2 3.62Å; K586-Y593 HydrophobicContact CG-CG 3.72Å; Y589-Y593 PolarHBondContact O-N 2.95Å; K590-Y593 WeakPolarHBondContact O-CB 3.15Å; K590-Y593 PolarHBondContact O-N 2.64Å; Y593-F597 HydrophobicContact CD1-CB 4.33Å; Y593-F597 HydrophobicContact CD2-CB 4.34Å; Y593-F597 AromaticContact CD2-CD2 3.44Å; Y593-F597 HydrophobicContact CD2-CD2 3.44Å; Y593-F597 VanDerWaalsContact CD2-CD2 3.44Å; Y593-F597 AromaticContact CD2-CE2 3.92Å; Y593-F597 HydrophobicContact CD2-CE2 3.92Å; Y593-F597 AromaticContact CD2-CG 3.93Å; Y593-F597 HydrophobicContact CD2-CG 3.93Å; Y593-F597 HydrophobicContact CE1-CB 3.83Å; Y593-F597 HydrophobicContact CE1-CG 4.39Å; Y593-F597 HydrophobicContact CE2-CB 3.88Å; Y593-F597 HydrophobicContact CE2-CD1 4.05Å; Y593-F597 AromaticContact CE2-CD2 3.54Å; Y593-F597 HydrophobicContact CE2-CD2 3.54Å; Y593-F597 HydrophobicContact CE2-CE2 4.09Å; Y593-F597 AromaticContact CE2-CG 3.52Å; Y593-F597 HydrophobicContact CE2-CG 3.52Å; Y593-F597 HydrophobicContact CG-CD2 4.02Å; Y593-F597 AromaticContact CZ-CG 3.74Å; Y593-F597 WeakPolarHBondContact O-CA 3.27Å; Y593-F597 WeakPolarHBondContact O-CB 3.39Å; Y593-F597 WeakPolarHBondContact O-CD2 3.5Å; Y593-F597 PolarHBondContact O-N 2.74Å
594	E	91.4	Very high	78.2	Confident	89 Å²	89	83.7 Å²	83.7	42%	0.416	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-47.1	176.7	-72.3	174.5	153.5	0	0	110.9	K590 P591 W592 V596 V598	K590-E594 WeakPolarHBondContact CE-OE1 3.39Å; K590-E594 VanDerWaalsContact CE-OE2 3.3Å; K590-E594 WeakPolarHBondContact CE-OE2 3.42Å; K590-E594 HydrophobicContact CG-CG 4.44Å; K590-E594 IonicContact NZ-OE1 3.86Å; K590-E594 PolarHBondContact NZ-OE1 3.09Å; K590-E594 PolarHBondContact O-N 3.35Å; P591-E594 PolarHBondContact O-N 3.07Å; W592-E594 VanDerWaalsContact C-N 3.32Å; W592-E594 PolarHBondContact O-N 2.81Å; E594-V596 PolarHBondContact O-N 2.84Å; E594-V598 WeakPolarHBondContact O-CA 3.41Å; E594-V598 VanDerWaalsContact O-CB 3.29Å; E594-V598 WeakPolarHBondContact O-CB 3.43Å; E594-V598 PolarHBondContact O-N 3.12Å
595	E	90.3	Very high	75.4	Confident	158 Å²	158	91.1 Å²	91.1	74%	0.738	45%	0.446	S	S	*	.	H	α-helix	trans	-56.8	-45.6	175.9	-174.9	-175.1	167.4	0	0	113.7	P591 W592	P591-E595 WeakPolarHBondContact O-CB 3.06Å; P591-E595 PolarHBondContact O-N 3.26Å; W592-E595 PolarHBondContact O-N 3.23Å
596	V	88.4	Confident	72.8	Confident	22 Å²	22	97.9 Å²	97.9	13%	0.133	48%	0.48	C	S	.	.	H	α-helix	trans	-87.4	-28.3	-173.1	175.6	0	0	0	0	112.5	K376 F379 W592 E594	K376-V596 HydrophobicContact CB-CG1 4.3Å; K376-V596 HydrophobicContact CD-CG1 4.08Å; K376-V596 WeakPolarHBondContact CD-O 3.38Å; K376-V596 WeakPolarHBondContact CE-O 3.5Å; K376-V596 HydrophobicContact CG-CG1 4.09Å; K376-V596 PolarHBondContact NZ-O 2.89Å; F379-V596 HydrophobicContact CD2-CG1 4.03Å; F379-V596 HydrophobicContact CD2-CG2 4.28Å; F379-V596 HydrophobicContact CE2-CG1 4.11Å; F379-V596 HydrophobicContact CE2-CG2 3.57Å; F379-V596 HydrophobicContact CZ-CG2 4.1Å; W592-V596 HydrophobicContact CD2-CB 4.43Å; W592-V596 HydrophobicContact CD2-CG2 3.94Å; W592-V596 HydrophobicContact CG-CG2 4.25Å; W592-V596 HydrophobicContact CH2-CG1 4.36Å; W592-V596 HydrophobicContact CZ2-CB 4.37Å; W592-V596 HydrophobicContact CZ2-CG1 4.26Å; W592-V596 HydrophobicContact CZ2-CG2 3.92Å; W592-V596 WeakPolarHBondContact O-CB 3.2Å; W592-V596 WeakPolarHBondContact O-CG2 3.48Å; W592-V596 PolarHBondContact O-N 3.48Å; E594-V596 PolarHBondContact O-N 2.84Å
597	F	83.8	Confident	70.3	Confident	23 Å²	23	99.3 Å²	99.3	10%	0.101	50%	0.499	C	S	.	.	H	α-helix	trans	-109.2	-21.9	-174.5	-63.3	-93.9	0	0	0	115.3	F375 K376 Y457 W592 Y593	F375-F597 HydrophobicContact CD1-CZ 4.44Å; F375-F597 HydrophobicContact CE1-CE2 4.39Å; F375-F597 AromaticContact CE1-CZ 3.66Å; F375-F597 HydrophobicContact CE1-CZ 3.66Å; F375-F597 HydrophobicContact CE2-CZ 4.39Å; F375-F597 HydrophobicContact CZ-CE1 4.25Å; F375-F597 AromaticContact CZ-CZ 3.63Å; F375-F597 HydrophobicContact CZ-CZ 3.63Å; K376-F597 HydrophobicContact CB-CE1 4.32Å; K376-F597 HydrophobicContact CB-CZ 4.26Å; K376-F597 HydrophobicContact CD-CD1 3.71Å; K376-F597 HydrophobicContact CD-CE1 3.58Å; K376-F597 HydrophobicContact CD-CG 4.35Å; K376-F597 HydrophobicContact CD-CZ 4.12Å; Y457-F597 AromaticContact CD1-CD1 3.89Å; Y457-F597 HydrophobicContact CD1-CD1 3.89Å; Y457-F597 AromaticContact CD1-CE1 3.52Å; Y457-F597 HydrophobicContact CD1-CE1 3.52Å; Y457-F597 AromaticContact CE1-CD1 3.46Å; Y457-F597 HydrophobicContact CE1-CD1 3.46Å; Y457-F597 VanDerWaalsContact CE1-CD1 3.46Å; Y457-F597 AromaticContact CE1-CE1 3.5Å; Y457-F597 HydrophobicContact CE1-CE1 3.5Å; Y457-F597 HydrophobicContact CG-CE1 4.02Å; W592-F597 HydrophobicContact CE3-CE2 4.45Å; W592-F597 HydrophobicContact CH2-CE2 4.08Å; W592-F597 AromaticContact CZ3-CE2 3.72Å; W592-F597 HydrophobicContact CZ3-CE2 3.72Å; Y593-F597 HydrophobicContact CD1-CB 4.33Å; Y593-F597 HydrophobicContact CD2-CB 4.34Å; Y593-F597 AromaticContact CD2-CD2 3.44Å; Y593-F597 HydrophobicContact CD2-CD2 3.44Å; Y593-F597 VanDerWaalsContact CD2-CD2 3.44Å; Y593-F597 AromaticContact CD2-CE2 3.92Å; Y593-F597 HydrophobicContact CD2-CE2 3.92Å; Y593-F597 AromaticContact CD2-CG 3.93Å; Y593-F597 HydrophobicContact CD2-CG 3.93Å; Y593-F597 HydrophobicContact CE1-CB 3.83Å; Y593-F597 HydrophobicContact CE1-CG 4.39Å; Y593-F597 HydrophobicContact CE2-CB 3.88Å; Y593-F597 HydrophobicContact CE2-CD1 4.05Å; Y593-F597 AromaticContact CE2-CD2 3.54Å; Y593-F597 HydrophobicContact CE2-CD2 3.54Å; Y593-F597 HydrophobicContact CE2-CE2 4.09Å; Y593-F597 AromaticContact CE2-CG 3.52Å; Y593-F597 HydrophobicContact CE2-CG 3.52Å; Y593-F597 HydrophobicContact CG-CD2 4.02Å; Y593-F597 AromaticContact CZ-CG 3.74Å; Y593-F597 WeakPolarHBondContact O-CA 3.27Å; Y593-F597 WeakPolarHBondContact O-CB 3.39Å; Y593-F597 WeakPolarHBondContact O-CD2 3.5Å; Y593-F597 PolarHBondContact O-N 2.74Å
598	V	75.3	Confident	67.9	Low	69 Å²	69	95.3 Å²	95.3	42%	0.418	50%	0.498	S	S	.	.	S	Bend	trans	-108.2	104.5	177.9	-174	0	0	0	0	109.1	E594	E594-V598 WeakPolarHBondContact O-CA 3.41Å; E594-V598 VanDerWaalsContact O-CB 3.29Å; E594-V598 WeakPolarHBondContact O-CB 3.43Å; E594-V598 PolarHBondContact O-N 3.12Å
599	S	57.5	Low	65.4	Low	60 Å²	60	98.4 Å²	98.4	42%	0.42	52%	0.517	S	S	.	.			trans	-61.4	138.1	177.8	24.4	0	0	0	0	112	Q601 D602	S599-Q601 PolarHBondContact O-N 2.8Å; S599-D602 PolarHBondContact O-N 3.33Å; S599-D602 PolarHBondContact OG-OD2 3.06Å
600	Q	46.5	Very low	62.9	Low	174 Å²	174	103.6 Å²	103.6	81%	0.813	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.2	171.8	-73.1	179.6	-22.7	0	0	113.5	D602 V603 E604	Q600-D602 PolarHBondContact O-N 2.96Å; Q600-V603 WeakPolarHBondContact O-CB 3.5Å; Q600-V603 PolarHBondContact O-N 2.89Å; Q600-E604 PolarHBondContact O-N 3.49Å
601	Q	42.8	Very low	60.1	Low	150 Å²	150	110.1 Å²	110.1	70%	0.701	59%	0.587	S	S	*	*	H	α-helix	trans	-64.1	-23.7	174.1	-70.5	-179.2	-29.1	0	0	114	S599 V603	S599-Q601 PolarHBondContact O-N 2.8Å; Q601-V603 PolarHBondContact O-N 3.44Å
602	D	42.6	Very low	58.5	Low	96 Å²	96	110.7 Å²	110.7	51%	0.513	59%	0.585	S	S	.	*	H	α-helix	trans	-78	-10.6	173.7	-62.5	-59.6	0	0	0	112.5	S599 Q600	S599-D602 PolarHBondContact O-N 3.33Å; S599-D602 PolarHBondContact OG-OD2 3.06Å; Q600-D602 PolarHBondContact O-N 2.96Å
603	V	44.8	Very low	56.6	Low	93 Å²	93	114.9 Å²	114.9	56%	0.564	61%	0.61	S	S	*	*	H	α-helix	trans	-93.4	-39.4	179.5	-174.5	0	0	0	0	111.5	Q600 Q601 M605 I606	Q600-V603 WeakPolarHBondContact O-CB 3.5Å; Q600-V603 PolarHBondContact O-N 2.89Å; Q601-V603 PolarHBondContact O-N 3.44Å; V603-M605 PolarHBondContact O-N 3.18Å; V603-I606 PolarHBondContact O-N 2.73Å
604	E	37.3	Very low	54.6	Low	150 Å²	150	119.4 Å²	119.4	70%	0.701	64%	0.636	S	S	*	*	H	α-helix	trans	-65.2	-26.6	178.1	-72.8	-171.7	143.2	0	0	113.2	Q600 I606 S607	Q600-E604 PolarHBondContact O-N 3.49Å; E604-I606 PolarHBondContact O-N 2.65Å; E604-S607 WeakPolarHBondContact CA-OG 3.43Å; E604-S607 PolarHBondContact O-N 3.04Å; E604-S607 PolarHBondContact O-OG 3.17Å; E604-S607 VanDerWaalsContact O-OG 3.05Å
605	M	35.7	Very low	52.5	Low	169 Å²	169	121.2 Å²	121.2	83%	0.833	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-9.9	173.4	-75.7	-89.1	-73	0	0	114	V603	V603-M605 PolarHBondContact O-N 3.18Å
606	I	40.4	Very low	50.1	Low	141 Å²	141	118.9 Å²	118.9	72%	0.723	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-24.8	176.2	-65.2	174.1	0	0	0	111.4	V603 E604 G608	V603-I606 PolarHBondContact O-N 2.73Å; E604-I606 PolarHBondContact O-N 2.65Å; I606-G608 VanDerWaalsContact C-N 3.28Å; I606-G608 PolarHBondContact O-N 3.35Å
607	S	42.3	Very low	47.6	Very low	96 Å²	96	125.3 Å²	125.3	67%	0.671	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	9.1	179.3	50.7	0	0	0	0	115	E604	E604-S607 WeakPolarHBondContact CA-OG 3.43Å; E604-S607 PolarHBondContact O-N 3.04Å; E604-S607 PolarHBondContact O-OG 3.17Å; E604-S607 VanDerWaalsContact O-OG 3.05Å
608	G	43.3	Very low	45	Very low	66 Å²	66	132.6 Å²	132.6	68%	0.68	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-9.6	-176.6	0	0	0	0	0	116	I606	I606-G608 VanDerWaalsContact C-N 3.28Å; I606-G608 PolarHBondContact O-N 3.35Å
609	E	44.5	Very low	42.6	Very low	183 Å²	183	137.5 Å²	137.5	86%	0.855	74%	0.741	S	S	*	*	S	Bend	trans	-115.8	58.7	-178.8	-66.9	-168	158	0	0	111.8
610	D	42.5	Very low	41.4	Very low	162 Å²	162	144 Å²	144	87%	0.866	77%	0.768	S	S	*	*			trans	-165.9	77	161.4	-102.5	-25.8	0	0	0	110.4
611	L	34.1	Very low	40.9	Very low	248 Å²	248	141.3 Å²	141.3	100%	1.298	76%	0.764	S	S	*	*			trans	-156.9	0	167.1	-112.4	170.6	0	0	0	112.6

Retrieved 611 of 611 residues in 386.7 ms (Link to these results)

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