A0A3Q0KMA8_SCHMA Loading...

G domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 731 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	30.4	Very low	27.8	Very low	237 Å²	237	162.5 Å²	162.5	100%	1.167	83%	0.826	S	S	*	*				0	137.5	0	-71	174.4	174.1	0	0	108.2
2	F	24.8	Very low	28.1	Very low	177 Å²	177	160.7 Å²	160.7	78%	0.776	83%	0.829	S	S	*	*			trans	16.7	119	166.2	-69.4	-93.8	0	0	0	118.5
3	V	26.7	Very low	28	Very low	145 Å²	145	159 Å²	159	88%	0.879	83%	0.83	S	S	*	*				51.5	50.6	57.7	-161.9	0	0	0	0	112
4	S	26.9	Very low	28.3	Very low	93 Å²	93	155.8 Å²	155.8	65%	0.65	82%	0.823	S	S	*	*			trans	-164.1	80.3	169.3	47.7	0	0	0	0	113.4
5	R	30	Very low	28.2	Very low	256 Å²	256	156.7 Å²	156.7	97%	0.966	82%	0.817	S	S	*	*			trans	-169.2	65.1	150.4	-107.8	166.8	-166	-148.9	3.2	111.9
6	L	24.5	Very low	28.3	Very low	161 Å²	161	158.1 Å²	158.1	84%	0.843	82%	0.824	S	S	*	*			trans	-136.3	152.8	161.1	-115.4	160.2	0	0	0	107.4
7	T	26.8	Very low	28.3	Very low	124 Å²	124	156.4 Å²	156.4	76%	0.761	81%	0.814	S	S	*	*			trans	66.8	94.4	176.2	68.3	0	0	0	0	119.2
8	F	29	Very low	28	Very low	197 Å²	197	160.3 Å²	160.3	86%	0.864	82%	0.817	S	S	*	*				-127.9	110	125.2	-121.7	-106.5	0	0	0	105.4
9	V	30	Very low	27.9	Very low	117 Å²	117	160.5 Å²	160.5	71%	0.709	82%	0.819	S	S	*	*				64.5	116.5	99.2	175.1	0	0	0	0	111.2
10	S	29.7	Very low	27.8	Very low	93 Å²	93	159.2 Å²	159.2	65%	0.65	82%	0.823	S	S	*	*			cis	-163.8	162.4	5	68.2	0	0	0	0	114.8
11	K	27.3	Very low	27.6	Very low	188 Å²	188	157.2 Å²	157.2	82%	0.817	82%	0.823	S	S	*	*			trans	46.2	101.8	145.2	-65.7	168.1	-179.9	179.1	0	119.6
12	T	30.7	Very low	27.3	Very low	140 Å²	140	155.7 Å²	155.7	86%	0.859	81%	0.81	S	S	*	*				-174.8	129.3	103.5	27.8	0	0	0	0	111.5
13	V	27.5	Very low	27.3	Very low	139 Å²	139	156.8 Å²	156.8	84%	0.842	82%	0.815	S	S	*	*			trans	-145.4	136.5	165.4	174.8	0	0	0	0	107.8
14	P	31.5	Very low	27.2	Very low	114 Å²	114	160.2 Å²	160.2	74%	0.74	82%	0.818	S	S	*	*			trans	-130.5	124.9	140.1	10.3	11.4	0	0	0	113.8
15	K	27.9	Very low	27	Very low	169 Å²	169	160.5 Å²	160.5	74%	0.735	83%	0.826	S	S	*	*			trans	54.2	79.7	135.9	-57.7	178.1	179.4	176.2	0	118.8	I17	K15-I17 HydrophobicContact CG-CD1 4.36Å
16	I	29.5	Very low	26.8	Very low	180 Å²	180	158.5 Å²	158.5	92%	0.923	82%	0.82	S	S	*	*				-115.8	118.6	113.1	-67.2	-176.6	0	0	0	107
17	I	27.3	Very low	26.9	Very low	129 Å²	129	159.4 Å²	159.4	66%	0.662	82%	0.817	S	S	*	*			trans	-126.3	146.9	-173.6	-80.3	173.7	0	0	0	108.2	K15	K15-I17 HydrophobicContact CG-CD1 4.36Å
18	R	24.3	Very low	27	Very low	226 Å²	226	161.4 Å²	161.4	85%	0.853	82%	0.822	S	S	*	*			trans	88.1	136.4	171.1	-81.6	164.8	171.9	168.6	-3.6	117.5
19	L	24.8	Very low	27	Very low	164 Å²	164	157.1 Å²	157.1	86%	0.859	81%	0.808	S	S	*	*	S	Bend	trans	86.3	136.1	173.8	-62.3	132.2	0	0	0	116.4
20	C	25.5	Very low	27	Very low	134 Å²	134	157.7 Å²	157.7	91%	0.905	81%	0.812	S	S	*	*	S	Bend	trans	68.2	51.2	174.8	-60.7	0	0	0	0	120.3
21	S	23.9	Very low	27	Very low	118 Å²	118	161 Å²	161	83%	0.825	81%	0.814	S	S	*	*			trans	-156.6	39	154.8	56.7	0	0	0	0	115.5
22	K	23.7	Very low	27.1	Very low	206 Å²	206	158.4 Å²	158.4	90%	0.896	81%	0.805	S	S	*	*			trans	-144	82	169.5	-79	-165.4	176.8	-177.5	0	113.2
23	K	25.1	Very low	27.2	Very low	200 Å²	200	160.1 Å²	160.1	87%	0.87	80%	0.804	S	S	*	*	S	Bend	trans	-174.2	156.4	151.8	-102.7	167	-176.4	-175.2	0	107.2
24	F	25	Very low	27.2	Very low	216 Å²	216	161.9 Å²	161.9	95%	0.947	80%	0.802	S	S	*	*			trans	70.7	62.4	-172	-71.2	-83.6	0	0	0	117.5
25	A	22.5	Very low	27.1	Very low	100 Å²	100	166.5 Å²	166.5	83%	0.826	81%	0.805	S	S	*	*			trans	-151	89.9	143.6	0	0	0	0	0	108.7
26	Y	26.9	Very low	27.1	Very low	214 Å²	214	165.7 Å²	165.7	84%	0.839	80%	0.798	S	S	*	*			trans	-133.3	111.5	173.3	-134	-98.6	0	0	0	110.8
27	K	26.6	Very low	27.2	Very low	179 Å²	179	166.1 Å²	166.1	78%	0.778	79%	0.794	S	S	*	*			trans	20.1	97.6	160.2	-73.1	176.2	168.1	177.1	0	117.3	N29	K27-N29 PolarHBondContact O-N 2.86Å
28	I	28.2	Very low	27.3	Very low	166 Å²	166	165 Å²	165	85%	0.851	79%	0.793	S	S	*	*			trans	-71.8	113.8	143.7	-66.1	176.1	0	0	0	106.6
29	N	28.7	Very low	27.7	Very low	108 Å²	108	159.5 Å²	159.5	58%	0.578	78%	0.78	S	S	*	*			trans	-91.1	116.2	-176.7	-166	7.4	0	0	0	109.2	K27 K31	K27-N29 PolarHBondContact O-N 2.86Å; N29-K31 PolarHBondContact O-N 3.36Å
30	T	29.7	Very low	28.2	Very low	129 Å²	129	156.8 Å²	156.8	79%	0.791	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	34.7	-169.3	45.5	0	0	0	0	114.8
31	K	29.7	Very low	28.3	Very low	162 Å²	162	153.9 Å²	153.9	70%	0.704	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-11.3	175.7	-73.8	-169.1	172.9	-173.1	0	114.7	N29	N29-K31 PolarHBondContact O-N 3.36Å
32	E	31.2	Very low	28.5	Very low	134 Å²	134	151.2 Å²	151.2	63%	0.626	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-79.8	-21.2	-177	-68.9	-171.2	139.3	0	0	114.4	Q34 R35 Y36	E32-Q34 PolarHBondContact O-N 3.12Å; E32-Q34 VanDerWaalsContact O-N 3.1Å; E32-R35 PolarHBondContact O-N 3.14Å; E32-Y36 VanDerWaalsContact O-CD2 3.3Å; E32-Y36 WeakPolarHBondContact O-CD2 3.34Å; E32-Y36 WeakPolarHBondContact O-CE2 3.37Å
33	Q	31.3	Very low	28.5	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-65.5	-12.9	178.5	-76.2	-178.2	-26.5	0	0	114.5
34	Q	28.5	Very low	28.5	Very low	175 Å²	175	147.7 Å²	147.7	82%	0.818	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-93.8	-5.4	178.7	-71.8	-176.3	-23	0	0	114.6	E32	E32-Q34 PolarHBondContact O-N 3.12Å; E32-Q34 VanDerWaalsContact O-N 3.1Å
35	R	28.6	Very low	28.4	Very low	211 Å²	211	146.3 Å²	146.3	80%	0.796	72%	0.721	S	S	*	*	S	Bend	trans	-93.8	-4.9	179.5	-79.9	-175.6	169	179.6	-6	115.3	E32 K37	E32-R35 PolarHBondContact O-N 3.14Å; R35-K37 VanDerWaalsContact C-N 3.26Å; R35-K37 PolarHBondContact O-N 2.71Å
36	Y	29	Very low	28.5	Very low	152 Å²	152	145.9 Å²	145.9	60%	0.596	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	8.5	-176.9	-72	-84.3	0	0	0	115.3	E32	E32-Y36 VanDerWaalsContact O-CD2 3.3Å; E32-Y36 WeakPolarHBondContact O-CD2 3.34Å; E32-Y36 WeakPolarHBondContact O-CE2 3.37Å
37	K	30.5	Very low	28.3	Very low	190 Å²	190	142.1 Å²	142.1	83%	0.826	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-11.5	-177.8	-98.6	-173.4	174.3	-175.7	0	115.4	R35 S41	R35-K37 VanDerWaalsContact C-N 3.26Å; R35-K37 PolarHBondContact O-N 2.71Å; K37-S41 PolarHBondContact O-OG 3.37Å
38	T	29.7	Very low	28.2	Very low	104 Å²	104	138 Å²	138	64%	0.638	70%	0.704	S	S	*	*			trans	-100.4	-6.8	-164.9	44.3	0	0	0	0	116.5	F40 S41	T38-F40 PolarHBondContact O-N 3.25Å; T38-S41 WeakPolarHBondContact CA-OG 3.29Å; T38-S41 PolarHBondContact O-N 3.32Å
39	L	33.5	Very low	27.9	Very low	112 Å²	112	139 Å²	139	59%	0.586	71%	0.705	S	S	*	*	S	Bend	trans	-68.2	-18	-177	-92.2	159	0	0	0	115.2
40	F	33.7	Very low	27.7	Very low	107 Å²	107	141.3 Å²	141.3	47%	0.469	71%	0.712	S	S	.	*	S	Bend	trans	-129.1	6.8	177.4	-70	-81.4	0	0	0	113.5	T38 E130	T38-F40 PolarHBondContact O-N 3.25Å; F40-E130 HydrophobicContact CD1-CG 4.29Å; F40-E130 VanDerWaalsContact CD1-OE1 3.26Å; F40-E130 WeakPolarHBondContact CD1-OE1 3.47Å; F40-E130 HydrophobicContact CE1-CG 4.29Å; F40-E130 WeakPolarHBondContact CE1-OE1 3.35Å; F40-E130 VanDerWaalsContact CE1-OE2 3.23Å; F40-E130 WeakPolarHBondContact CE1-OE2 3.34Å; F40-E130 VanDerWaalsContact CZ-OE2 3.32Å; F40-E130 WeakPolarHBondContact CZ-OE2 3.46Å
41	S	27.8	Very low	27.5	Very low	72 Å²	72	140.7 Å²	140.7	50%	0.503	71%	0.71	S	S	.	*			trans	-101.9	37.1	179.1	77.6	0	0	0	0	112.7	K37 T38 T43	K37-S41 PolarHBondContact O-OG 3.37Å; T38-S41 WeakPolarHBondContact CA-OG 3.29Å; T38-S41 PolarHBondContact O-N 3.32Å; S41-T43 PolarHBondContact O-N 2.95Å
42	G	28.3	Very low	27.1	Very low	62 Å²	62	141.7 Å²	141.7	64%	0.639	72%	0.715	S	S	*	*			trans	-78.3	90	164.2	0	0	0	0	0	109.1	W44	G42-W44 PolarHBondContact O-N 2.76Å
43	T	24	Very low	27	Very low	130 Å²	130	140.3 Å²	140.3	80%	0.798	72%	0.718	S	S	*	*			trans	-60.2	118.9	167.2	34.7	0	0	0	0	108.7	S41 E45	S41-T43 PolarHBondContact O-N 2.95Å; T43-E45 PolarHBondContact O-N 3.02Å
44	W	25.6	Very low	26.8	Very low	202 Å²	202	139.1 Å²	139.1	77%	0.765	72%	0.717	S	S	*	*			trans	-64.4	104.6	174.8	-71.8	39.9	0	0	0	108.5	G42 S46	G42-W44 PolarHBondContact O-N 2.76Å; W44-S46 PolarHBondContact O-N 2.83Å; W44-S46 VanDerWaalsContact O-N 3.1Å
45	E	22.3	Very low	26.7	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	72%	0.715	S	S	*	*			trans	-61.9	112.4	159.9	-71.6	-167.7	148	0	0	107.1	T43 V47	T43-E45 PolarHBondContact O-N 3.02Å; E45-V47 PolarHBondContact O-N 3.04Å
46	S	24.9	Very low	26.6	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	72%	0.719	S	S	*	*			trans	-62.3	125.6	179.1	46.1	0	0	0	0	109.2	W44 S48	W44-S46 PolarHBondContact O-N 2.83Å; W44-S46 VanDerWaalsContact O-N 3.1Å; S46-S48 PolarHBondContact O-N 3.41Å
47	V	22.8	Very low	26.7	Very low	135 Å²	135	132.4 Å²	132.4	82%	0.818	73%	0.726	S	S	*	*			trans	-43.7	113.2	162.5	175.8	0	0	0	0	108	E45 H49	E45-V47 PolarHBondContact O-N 3.04Å; V47-H49 PolarHBondContact O-N 3.29Å
48	S	23.8	Very low	26.8	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	72%	0.721	S	S	*	*			trans	-72.6	110.1	-177.3	38.9	0	0	0	0	108.9	S46 Q50	S46-S48 PolarHBondContact O-N 3.41Å; S48-Q50 VanDerWaalsContact C-N 3.33Å; S48-Q50 PolarHBondContact O-N 2.91Å
49	H	22.8	Very low	26.6	Very low	186 Å²	186	130.2 Å²	130.2	86%	0.861	73%	0.731	S	S	*	*			trans	-62.4	99.7	158.9	-75.5	-80	0	0	0	107.8	V47 P51	V47-H49 PolarHBondContact O-N 3.29Å; H49-P51 VanDerWaalsContact O-CD 3.26Å; H49-P51 WeakPolarHBondContact O-CD 2.85Å
50	Q	24.6	Very low	26.2	Very low	156 Å²	156	130.8 Å²	130.8	73%	0.729	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-79.2	119.2	165.6	-75.7	-171.3	-20.7	0	0	109.3	S48	S48-Q50 VanDerWaalsContact C-N 3.33Å; S48-Q50 PolarHBondContact O-N 2.91Å
51	P	24.4	Very low	25.8	Very low	116 Å²	116	132 Å²	132	75%	0.753	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-81.5	122.1	154.4	32.4	-27.9	0	0	0	108.6	H49	H49-P51 VanDerWaalsContact O-CD 3.26Å; H49-P51 WeakPolarHBondContact O-CD 2.85Å
52	F	21.5	Very low	25.7	Very low	183 Å²	183	136.2 Å²	136.2	80%	0.803	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-60.2	145.4	161.6	-77.8	-85.4	0	0	0	109.3
53	P	29.7	Very low	25.4	Very low	105 Å²	105	139.8 Å²	139.8	68%	0.682	77%	0.765	S	S	*	*				-146.9	148.4	96.6	35.1	-17.6	0	0	0	117.3
54	N	26.8	Very low	25.5	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	77%	0.771	S	S	*	*			trans	82.8	119.7	144.5	-60.3	-6.8	0	0	0	123.2
55	A	27.4	Very low	25.3	Very low	94 Å²	94	143 Å²	143	78%	0.777	77%	0.774	S	S	*	*			trans	81.7	89.1	133.3	0	0	0	0	0	122.1
56	E	25.1	Very low	25.5	Very low	189 Å²	189	142.2 Å²	142.2	88%	0.883	78%	0.775	S	S	*	*				62.8	155.2	115	-84.4	-168	-175	0	0	123.6
57	P	31	Very low	25.3	Very low	113 Å²	113	144.9 Å²	144.9	73%	0.734	78%	0.782	S	S	*	*				-130.7	-131.9	-126.8	31.5	-4.8	0	0	0	115.3
58	P	32.4	Very low	25.3	Very low	112 Å²	112	145.5 Å²	145.5	73%	0.727	78%	0.781	S	S	*	*				-122.2	167.9	-87.9	35.8	-20.8	0	0	0	116.5
59	T	26	Very low	25.3	Very low	136 Å²	136	147.7 Å²	147.7	83%	0.834	79%	0.785	S	S	*	*			trans	-159.4	158.1	161.5	43.3	0	0	0	0	108.9
60	V	26.2	Very low	25.4	Very low	124 Å²	124	145.9 Å²	145.9	75%	0.752	79%	0.787	S	S	*	*			cis	-159.1	171.2	-14.9	126.4	0	0	0	0	110
61	L	25	Very low	25.3	Very low	134 Å²	134	146.4 Å²	146.4	70%	0.702	79%	0.789	S	S	*	*			trans	-23.4	162.1	161.8	-49.5	172.6	0	0	0	118.2
62	E	24.4	Very low	25.1	Very low	160 Å²	160	146.1 Å²	146.1	75%	0.748	79%	0.79	S	S	*	*			cis	-164.9	171.7	1.7	-124.5	163.7	-155.5	0	0	111.7
63	D	22	Very low	25.1	Very low	136 Å²	136	142.8 Å²	142.8	73%	0.727	79%	0.789	S	S	*	*			trans	-31.3	150	176.9	-56.4	-30.4	0	0	0	121.6
64	R	26.6	Very low	24.8	Very low	242 Å²	242	149.3 Å²	149.3	91%	0.913	80%	0.8	S	S	*	*				176.7	147.7	102.8	-92.1	166.2	-161.9	-156.6	3.8	114.8
65	N	21.8	Very low	24.4	Very low	157 Å²	157	147.9 Å²	147.9	84%	0.84	80%	0.802	S	S	*	*			trans	-79.2	150	172.4	-63.5	-33.5	0	0	0	112.4
66	L	25.8	Very low	24.2	Very low	172 Å²	172	151.8 Å²	151.8	90%	0.901	81%	0.805	S	S	*	*			trans	-155.5	134.7	145.9	-150.8	76	0	0	0	111.1
67	D	21.3	Very low	24	Very low	147 Å²	147	149.6 Å²	149.6	79%	0.786	80%	0.804	S	S	*	*			trans	-84.3	154.8	177.8	-69	-60.9	0	0	0	113.3
68	D	22.9	Very low	23.6	Very low	149 Å²	149	149.6 Å²	149.6	80%	0.797	81%	0.807	S	S	*	*			trans	80.7	138.3	147.9	-94.4	-23.7	0	0	0	124.3
69	L	23.1	Very low	23.1	Very low	139 Å²	139	149.8 Å²	149.8	73%	0.728	81%	0.806	S	S	*	*			trans	59	95.4	167.1	-81.1	85.4	0	0	0	120.6
70	V	25.6	Very low	23	Very low	148 Å²	148	151 Å²	151	90%	0.897	81%	0.807	S	S	*	*				-134	119.5	121.4	178.8	0	0	0	0	109.8
71	Q	22	Very low	22.9	Very low	167 Å²	167	153.4 Å²	153.4	78%	0.78	81%	0.808	S	S	*	*			trans	-80.2	151.6	170.5	-74.6	-179.1	-15	0	0	111.9
72	S	20.8	Very low	23.2	Very low	109 Å²	109	153.2 Å²	153.2	76%	0.762	81%	0.813	S	S	*	*			trans	97.3	133.7	157.2	82.2	0	0	0	0	119.5
73	S	20.5	Very low	23.4	Very low	114 Å²	114	156.6 Å²	156.6	80%	0.797	82%	0.819	S	S	*	*			trans	67.1	73.9	162.3	66.9	0	0	0	0	119.5
74	R	22.9	Very low	24.1	Very low	241 Å²	241	153.6 Å²	153.6	91%	0.909	81%	0.807	S	S	*	*			trans	-146.4	108.1	135.2	-109.7	168.6	-162.9	-174.5	3.6	111
75	S	19.2	Very low	24.9	Very low	122 Å²	122	144.3 Å²	144.3	85%	0.853	78%	0.775	S	S	*	*			trans	-97.2	89.5	177.2	54.5	0	0	0	0	109.7
76	E	23.2	Very low	25.9	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	75%	0.747	S	S	*	*			trans	-127.8	137.8	168.5	-70	-170.5	160.2	0	0	110.3
77	T	20.6	Very low	26.7	Very low	143 Å²	143	133.5 Å²	133.5	88%	0.877	73%	0.726	S	S	*	*			trans	-107.1	108.1	-162.6	48.2	0	0	0	0	111.3
78	S	23	Very low	27.8	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	72%	0.715	S	S	*	*			trans	-156.7	54	172.1	51.2	0	0	0	0	112.9
79	T	23	Very low	29.2	Very low	116 Å²	116	127.7 Å²	127.7	71%	0.712	69%	0.691	S	S	*	*			trans	-117.7	80.4	162.4	44.6	0	0	0	0	109.8	F81	T79-F81 HydrophobicContact CG2-CE2 4.22Å; T79-F81 PolarHBondContact O-N 3.42Å
80	D	22.6	Very low	30.6	Very low	162 Å²	162	122.3 Å²	122.3	87%	0.866	66%	0.663	S	S	*	*			trans	-69.6	72.1	167.3	-91.2	-35	0	0	0	109.9	T82	D80-T82 VanDerWaalsContact C-N 3.33Å; D80-T82 PolarHBondContact O-N 3.35Å
81	F	24.9	Very low	31.9	Very low	174 Å²	174	118.6 Å²	118.6	76%	0.763	64%	0.638	S	S	*	*			trans	-67.4	97.4	159.9	-79.6	-78.3	0	0	0	107.8	T79 R83	T79-F81 HydrophobicContact CG2-CE2 4.22Å; T79-F81 PolarHBondContact O-N 3.42Å; F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 3.13Å
82	T	29.9	Very low	33.8	Very low	131 Å²	131	116.2 Å²	116.2	80%	0.804	63%	0.625	S	S	*	*			trans	-58.6	94.5	171.4	36.9	0	0	0	0	109.6	D80	D80-T82 VanDerWaalsContact C-N 3.33Å; D80-T82 PolarHBondContact O-N 3.35Å
83	R	30.6	Very low	35.8	Very low	231 Å²	231	113 Å²	113	87%	0.872	60%	0.599	S	S	*	*			trans	-50.8	133.1	172.7	-99.5	-175.7	173.6	177.6	-1.8	109.4	F81 L85	F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 3.13Å; R83-L85 PolarHBondContact O-N 3.23Å
84	P	36.5	Very low	37.7	Very low	73 Å²	73	109.3 Å²	109.3	47%	0.474	57%	0.568	S	S	.	*			trans	-57.7	140.3	166.3	25.6	-33	0	0	0	108.9	A86	P84-A86 PolarHBondContact O-N 3.02Å
85	L	42	Very low	39.7	Very low	47 Å²	47	101.1 Å²	101.1	25%	0.246	55%	0.548	C	S	.	.			trans	-59.1	113.8	177.1	-75.6	165	0	0	0	108.6	R83 D89 L90 I93 L160	R83-L85 PolarHBondContact O-N 3.23Å; L85-D89 HydrophobicContact CD2-CB 4.3Å; L85-L90 HydrophobicContact CB-CD1 4.26Å; L85-L90 HydrophobicContact CB-CG 4.28Å; L85-I93 HydrophobicContact CD2-CD1 4.31Å; L85-L160 HydrophobicContact CD1-CD2 4.04Å
86	A	42.9	Very low	42.2	Very low	30 Å²	30	97 Å²	97	25%	0.248	52%	0.516	C	S	.	.			trans	-67.7	152.8	175.4	0	0	0	0	0	109.6	P84 E88 D89 L90	P84-A86 PolarHBondContact O-N 3.02Å; A86-E88 VanDerWaalsContact CB-OE2 3.24Å; A86-E88 WeakPolarHBondContact CB-OE2 3.4Å; A86-E88 PolarHBondContact O-N 3.35Å; A86-E88 VanDerWaalsContact O-N 3.13Å; A86-D89 PolarHBondContact O-N 3.29Å; A86-L90 PolarHBondContact O-N 3.06Å
87	P	42.6	Very low	44.6	Very low	71 Å²	71	92.7 Å²	92.7	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-53.5	-33.8	177	-27	36	0	0	0	113	D89 N91	P87-D89 VanDerWaalsContact C-N 3.33Å; P87-D89 PolarHBondContact O-N 3.2Å; P87-N91 PolarHBondContact O-N 3.12Å
88	E	44.5	Very low	47.4	Very low	119 Å²	119	87.5 Å²	87.5	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-67.6	-30.3	176.3	-53.4	87.9	170	0	0	113.2	A86 K92	A86-E88 VanDerWaalsContact CB-OE2 3.24Å; A86-E88 WeakPolarHBondContact CB-OE2 3.4Å; A86-E88 PolarHBondContact O-N 3.35Å; A86-E88 VanDerWaalsContact O-N 3.13Å; E88-K92 WeakPolarHBondContact O-CE 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.3Å; E88-K92 WeakPolarHBondContact O-CG 3.46Å; E88-K92 PolarHBondContact O-N 2.97Å; E88-K92 VanDerWaalsContact O-N 3.17Å
89	D	52	Low	49.9	Very low	55 Å²	55	86.8 Å²	86.8	29%	0.294	46%	0.455	S	S	.	.	H	α-helix	trans	-78.5	-36.1	179.5	-65.6	-33.1	0	0	0	111.6	L85 A86 P87 K92 I93	L85-D89 HydrophobicContact CD2-CB 4.3Å; A86-D89 PolarHBondContact O-N 3.29Å; P87-D89 VanDerWaalsContact C-N 3.33Å; P87-D89 PolarHBondContact O-N 3.2Å; D89-K92 PolarHBondContact O-N 3.48Å; D89-K92 IonicContact OD1-NZ 3.64Å; D89-K92 PolarHBondContact OD1-NZ 3.16Å; D89-I93 VanDerWaalsContact O-CG1 3.3Å; D89-I93 WeakPolarHBondContact O-CG1 3.19Å; D89-I93 PolarHBondContact O-N 2.97Å; D89-I93 VanDerWaalsContact O-N 3.1Å
90	L	53.5	Low	52.5	Low	26 Å²	26	86 Å²	86	14%	0.136	45%	0.454	C	S	.	.	H	α-helix	trans	-63.2	-42.7	169.8	-85.7	159.4	0	0	0	111.8	L85 A86 K92 I93 Y94 L160	L85-L90 HydrophobicContact CB-CD1 4.26Å; L85-L90 HydrophobicContact CB-CG 4.28Å; A86-L90 PolarHBondContact O-N 3.06Å; L90-K92 VanDerWaalsContact C-N 3.34Å; L90-K92 PolarHBondContact O-N 2.83Å; L90-I93 WeakPolarHBondContact O-CB 3.26Å; L90-I93 PolarHBondContact O-N 3.42Å; L90-Y94 HydrophobicContact CD2-CE2 3.91Å; L90-Y94 WeakPolarHBondContact O-CD2 3.29Å; L90-Y94 PolarHBondContact O-N 2.85Å; L90-Y94 VanDerWaalsContact O-N 3.07Å; L90-L160 HydrophobicContact CD2-CD1 3.98Å; L90-L160 HydrophobicContact CD2-CD2 4.11Å
91	N	52.4	Low	55.3	Low	71 Å²	71	79.5 Å²	79.5	38%	0.38	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-40.7	175.9	-72.8	-6.3	0	0	0	111.8	P87 I93 Y94 S95	P87-N91 PolarHBondContact O-N 3.12Å; N91-I93 PolarHBondContact O-N 2.86Å; N91-Y94 PolarHBondContact O-N 2.95Å; N91-S95 WeakPolarHBondContact O-CB 3.39Å; N91-S95 PolarHBondContact O-N 3.35Å; N91-S95 PolarHBondContact O-OG 3.34Å
92	K	61.8	Low	57.9	Low	117 Å²	117	74.8 Å²	74.8	51%	0.509	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-40.7	173.7	-68.6	164.8	-155.3	157.1	0	112.9	E88 D89 L90 Y94 S95 D96	E88-K92 WeakPolarHBondContact O-CE 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.3Å; E88-K92 WeakPolarHBondContact O-CG 3.46Å; E88-K92 PolarHBondContact O-N 2.97Å; E88-K92 VanDerWaalsContact O-N 3.17Å; D89-K92 PolarHBondContact O-N 3.48Å; D89-K92 IonicContact OD1-NZ 3.64Å; D89-K92 PolarHBondContact OD1-NZ 3.16Å; L90-K92 VanDerWaalsContact C-N 3.34Å; L90-K92 PolarHBondContact O-N 2.83Å; K92-Y94 VanDerWaalsContact C-N 3.3Å; K92-Y94 PolarHBondContact O-N 3.41Å; K92-S95 PolarHBondContact O-N 3.08Å; K92-D96 PolarHBondContact O-N 3.35Å
93	I	63.7	Low	60.2	Low	41 Å²	41	73.2 Å²	73.2	21%	0.21	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-38	178	-73.9	167	0	0	0	111.1	L85 D89 L90 N91 P127 V156	L85-I93 HydrophobicContact CD2-CD1 4.31Å; D89-I93 VanDerWaalsContact O-CG1 3.3Å; D89-I93 WeakPolarHBondContact O-CG1 3.19Å; D89-I93 PolarHBondContact O-N 2.97Å; D89-I93 VanDerWaalsContact O-N 3.1Å; L90-I93 WeakPolarHBondContact O-CB 3.26Å; L90-I93 PolarHBondContact O-N 3.42Å; N91-I93 PolarHBondContact O-N 2.86Å; I93-P127 HydrophobicContact CG2-CG 3.87Å; I93-V156 HydrophobicContact CG2-CG1 4Å; I93-V156 HydrophobicContact CG2-CG2 3.96Å
94	Y	60.7	Low	62.5	Low	36 Å²	36	63 Å²	63	14%	0.141	36%	0.355	C	S	.	.	H	α-helix	trans	-83.9	-21.4	176.7	-63.9	-55.9	0	0	0	114.1	L90 N91 K92 D96 E97 A120 F125 V156 L160 H323	L90-Y94 HydrophobicContact CD2-CE2 3.91Å; L90-Y94 WeakPolarHBondContact O-CD2 3.29Å; L90-Y94 PolarHBondContact O-N 2.85Å; L90-Y94 VanDerWaalsContact O-N 3.07Å; N91-Y94 PolarHBondContact O-N 2.95Å; K92-Y94 VanDerWaalsContact C-N 3.3Å; K92-Y94 PolarHBondContact O-N 3.41Å; Y94-D96 VanDerWaalsContact C-N 3.27Å; Y94-D96 PolarHBondContact O-N 2.93Å; Y94-E97 WeakPolarHBondContact O-CG 3.47Å; Y94-A120 HydrophobicContact CD1-CB 3.82Å; Y94-A120 HydrophobicContact CG-CB 4.34Å; Y94-F125 HydrophobicContact CD1-CD1 4.12Å; Y94-F125 AromaticContact CD1-CE1 3.81Å; Y94-F125 HydrophobicContact CD1-CE1 3.81Å; Y94-F125 HydrophobicContact CE1-CD1 4.16Å; Y94-F125 HydrophobicContact CE1-CE1 4.27Å; Y94-V156 HydrophobicContact CE1-CB 4.43Å; Y94-V156 HydrophobicContact CE1-CG1 3.88Å; Y94-V156 WeakPolarHBondContact OH-CG1 3.28Å; Y94-L160 WeakPolarHBondContact OH-CD1 3.21Å; Y94-H323 AromaticContact CE1-CE1 3.44Å; Y94-H323 VanDerWaalsContact CE1-CE1 3.44Å; Y94-H323 WeakPolarHBondContact CE1-CE1 3.38Å; Y94-H323 AromaticContact CE1-ND1 3.81Å; Y94-H323 AromaticContact CE2-CE1 3.95Å; Y94-H323 AromaticContact CE2-ND1 3.48Å; Y94-H323 WeakPolarHBondContact CE2-ND1 3.34Å; Y94-H323 AromaticContact CZ-CE1 3.3Å; Y94-H323 AromaticContact CZ-ND1 3.32Å; Y94-H323 VanDerWaalsContact CZ-ND1 3.32Å; Y94-H323 PolarHBondContact OH-CE1 2.81Å; Y94-H323 VanDerWaalsContact OH-CE1 3.28Å; Y94-H323 PolarHBondContact OH-ND1 2.84Å
95	S	64.2	Low	64.3	Low	70 Å²	70	65.7 Å²	65.7	49%	0.49	38%	0.376	S	S	.	.	H	α-helix	trans	-75.3	-12.4	171.1	-61.3	0	0	0	0	113.9	N91 K92 E97	N91-S95 WeakPolarHBondContact O-CB 3.39Å; N91-S95 PolarHBondContact O-N 3.35Å; N91-S95 PolarHBondContact O-OG 3.34Å; K92-S95 PolarHBondContact O-N 3.08Å; S95-E97 PolarHBondContact O-N 2.9Å
96	D	72.2	Confident	66.1	Low	35 Å²	35	65.5 Å²	65.5	19%	0.187	37%	0.374	C	S	.	.			trans	-87.5	47.9	176	-170.6	26.3	0	0	0	111.5	K92 Y94 S117 P127 S128 T129	K92-D96 PolarHBondContact O-N 3.35Å; Y94-D96 VanDerWaalsContact C-N 3.27Å; Y94-D96 PolarHBondContact O-N 2.93Å; D96-S117 PolarHBondContact O-OG 2.96Å; D96-P127 HydrophobicContact CB-CB 4.06Å; D96-P127 WeakPolarHBondContact OD2-CB 3.26Å; D96-S128 VanDerWaalsContact CG-N 3.3Å; D96-S128 PolarHBondContact O-N 3.43Å; D96-S128 VanDerWaalsContact OD1-CB 3.23Å; D96-S128 WeakPolarHBondContact OD1-CB 3.42Å; D96-S128 PolarHBondContact OD1-OG 3.11Å; D96-S128 PolarHBondContact OD2-N 2.88Å; D96-T129 WeakPolarHBondContact OD2-CB 3.27Å; D96-T129 VanDerWaalsContact OD2-CG2 3.3Å; D96-T129 WeakPolarHBondContact OD2-CG2 3Å; D96-T129 PolarHBondContact OD2-N 3.32Å; D96-T129 PolarHBondContact OD2-OG1 2.87Å
97	E	73.9	Confident	68.1	Low	87 Å²	87	67.9 Å²	67.9	41%	0.407	39%	0.386	S	S	.	.			trans	-83.4	140.3	169.4	-74.7	177	-117.9	0	0	111	Y94 S95 A119 A120 F125	Y94-E97 WeakPolarHBondContact O-CG 3.47Å; S95-E97 PolarHBondContact O-N 2.9Å; E97-A119 WeakPolarHBondContact OE2-CA 3.49Å; E97-A120 VanDerWaalsContact CD-CB 3.44Å; E97-A120 HydrophobicContact CG-CB 3.83Å; E97-A120 WeakPolarHBondContact OE1-CB 3.48Å; E97-A120 PolarHBondContact OE1-N 3.07Å; E97-A120 PolarHBondContact OE2-N 2.94Å; E97-F125 HydrophobicContact CG-CE2 3.78Å; E97-F125 HydrophobicContact CG-CZ 3.88Å
98	D	78.4	Confident	69.9	Low	34 Å²	34	64.5 Å²	64.5	18%	0.182	36%	0.364	C	S	.	.			trans	-137.4	89.1	174.2	-167.7	-20	0	0	0	109.5	S100 L101 S117 K132	D98-S100 PolarHBondContact O-N 2.83Å; D98-S100 VanDerWaalsContact O-N 3.07Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 3.21Å; D98-S100 PolarHBondContact OD1-OG 3.34Å; D98-L101 HydrophobicContact CB-CD1 3.67Å; D98-L101 HydrophobicContact CB-CG 3.87Å; D98-L101 PolarHBondContact O-N 3.26Å; D98-L101 VanDerWaalsContact O-N 3.12Å; D98-S117 PolarHBondContact N-O 3.28Å; D98-K132 IonicContact OD2-NZ 2.67Å; D98-K132 PolarHBondContact OD2-NZ 2.82Å
99	P	75.9	Confident	71.4	Confident	96 Å²	96	61.8 Å²	61.8	62%	0.623	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.6	-179.2	-26.1	35.1	0	0	0	114.5	L101	P99-L101 VanDerWaalsContact C-N 3.31Å
100	S	77.8	Confident	72.3	Confident	99 Å²	99	61.6 Å²	61.6	69%	0.692	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-21.4	179.6	80.3	0	0	0	0	113.1	D98	D98-S100 PolarHBondContact O-N 2.83Å; D98-S100 VanDerWaalsContact O-N 3.07Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 3.21Å; D98-S100 PolarHBondContact OD1-OG 3.34Å
101	L	80.1	Confident	73	Confident	27 Å²	27	62.8 Å²	62.8	14%	0.141	38%	0.379	C	S	.	.	S	Bend	trans	-76.9	136	-176.1	-61.5	178.3	0	0	0	111.7	D98 P99 K118 Y131	D98-L101 HydrophobicContact CB-CD1 3.67Å; D98-L101 HydrophobicContact CB-CG 3.87Å; D98-L101 PolarHBondContact O-N 3.26Å; D98-L101 VanDerWaalsContact O-N 3.12Å; P99-L101 VanDerWaalsContact C-N 3.31Å; L101-K118 WeakPolarHBondContact O-CE 3.41Å; L101-K118 WeakPolarHBondContact O-CG 3.43Å; L101-Y131 HydrophobicContact CB-CE1 4.19Å; L101-Y131 HydrophobicContact CB-CE2 4.17Å; L101-Y131 HydrophobicContact CD1-CD1 3.66Å; L101-Y131 HydrophobicContact CD1-CD2 4.41Å; L101-Y131 HydrophobicContact CD1-CE1 4Å; L101-Y131 HydrophobicContact CD1-CG 3.93Å; L101-Y131 HydrophobicContact CD2-CE1 4.2Å; L101-Y131 HydrophobicContact CG-CD1 4.5Å; L101-Y131 HydrophobicContact CG-CE1 4.36Å
102	P	80.2	Confident	74	Confident	74 Å²	74	61.7 Å²	61.7	48%	0.481	39%	0.385	S	S	.	.			trans	-69.8	176.8	176.5	28.9	-33	0	0	0	112.1	Y131	P102-Y131 WeakPolarHBondContact CG-OH 3.14Å; P102-Y131 VanDerWaalsContact O-CE2 3.31Å; P102-Y131 WeakPolarHBondContact O-CE2 3.49Å; P102-Y131 PolarHBondContact O-OH 3.46Å
103	L	78.6	Confident	74.6	Confident	98 Å²	98	57.4 Å²	57.4	51%	0.513	37%	0.369	S	S	.	.			trans	-72.7	136.9	170	-74.1	153.3	0	0	0	109.4	P114 H116	L103-P114 HydrophobicContact CD2-CB 4.07Å; L103-P114 HydrophobicContact CD2-CG 3.96Å; L103-H116 HydrophobicContact CD2-CB 3.89Å
104	L	79.3	Confident	75.5	Confident	18 Å²	18	58.2 Å²	58.2	9%	0.094	38%	0.378	C	S	.	.			trans	-71.9	148.1	168.4	-67.8	173.5	0	0	0	110	I106 L115 I126 Y131 I134	L104-I106 PolarHBondContact O-N 3.26Å; L104-L115 HydrophobicContact CB-CB 4.17Å; L104-L115 WeakPolarHBondContact CB-O 3.26Å; L104-L115 HydrophobicContact CD1-CB 3.85Å; L104-L115 HydrophobicContact CG-CB 4.48Å; L104-L115 PolarHBondContact N-O 2.94Å; L104-I126 HydrophobicContact CD1-CD1 3.83Å; L104-Y131 HydrophobicContact CD1-CD2 3.9Å; L104-Y131 HydrophobicContact CD1-CE2 4.02Å; L104-Y131 HydrophobicContact CD1-CG 4.49Å; L104-Y131 HydrophobicContact CD2-CD2 4.28Å; L104-Y131 HydrophobicContact CD2-CE1 4.17Å; L104-Y131 HydrophobicContact CD2-CE2 3.71Å; L104-Y131 HydrophobicContact CG-CD2 3.89Å; L104-Y131 HydrophobicContact CG-CE2 3.46Å; L104-Y131 VanDerWaalsContact CG-CE2 3.46Å; L104-I134 HydrophobicContact CD1-CG2 4.16Å
105	S	72.7	Confident	76.7	Confident	128 Å²	128	56.5 Å²	56.5	90%	0.895	37%	0.371	S	S	*	.	S	Bend	trans	-72.5	-2.4	169.4	53.6	0	0	0	0	113.6
106	I	81.3	Confident	77.7	Confident	43 Å²	43	54 Å²	54	22%	0.221	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-98.3	130	178.9	-56.9	171.3	0	0	0	108.4	L104 L115 I134 T138	L104-I106 PolarHBondContact O-N 3.26Å; I106-L115 HydrophobicContact CB-CD1 4.3Å; I106-L115 HydrophobicContact CG2-CD1 3.94Å; I106-L115 WeakPolarHBondContact O-CB 3.32Å; I106-L115 WeakPolarHBondContact O-CG 3.47Å; I106-L115 PolarHBondContact O-N 3.45Å; I106-I134 HydrophobicContact CD1-CG2 3.82Å; I106-T138 HydrophobicContact CD1-CG2 4.39Å
107	T	83.5	Confident	78.3	Confident	80 Å²	80	52.3 Å²	52.3	49%	0.491	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-91.7	150.1	173.6	51	0	0	0	0	111.4	S109 G112 S113	T107-S109 PolarHBondContact O-N 2.91Å; T107-G112 WeakPolarHBondContact CB-O 3.48Å; T107-G112 VanDerWaalsContact CG2-O 3.26Å; T107-G112 WeakPolarHBondContact CG2-O 3.43Å; T107-S113 CarbonylContact C-O 3.59Å; T107-S113 WeakPolarHBondContact CA-O 3.24Å
108	C	81.1	Confident	78.4	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-62.1	126.4	171.8	175.2	0	0	0	0	110.3	G110 C111 G112 S113 L115 T153 C155 C158	C108-G110 PolarHBondContact O-N 2.59Å; C108-G110 VanDerWaalsContact O-N 3.15Å; C108-G110 PolarHBondContact SG-N 3.39Å; C108-G110 VanDerWaalsContact SG-N 3.4Å; C108-C111 VanDerWaalsContact CB-SG 3.56Å; C108-G112 WeakPolarHBondContact O-CA 3.49Å; C108-G112 PolarHBondContact O-N 3.16Å; C108-S113 PolarHBondContact N-O 3.42Å; C108-L115 HydrophobicContact CB-CD2 3.74Å; C108-T153 WeakPolarHBondContact CA-O 3.45Å; C108-C155 HydrophobicContact CB-CB 4.27Å; C108-C155 PolarHBondContact SG-N 2.95Å; C108-C158 VanDerWaalsContact SG-SG 3.66Å
109	S	76.2	Confident	78	Confident	62 Å²	62	52.3 Å²	52.3	43%	0.434	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.2	179.2	53.9	0	0	0	0	114.1	T107 T153 L154	T107-S109 PolarHBondContact O-N 2.91Å; S109-T153 PolarHBondContact N-O 3.08Å; S109-T153 PolarHBondContact OG-O 3.38Å; S109-L154 WeakPolarHBondContact OG-CD2 3.34Å
110	G	70.4	Confident	77.5	Confident	51 Å²	51	48.9 Å²	48.9	53%	0.526	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-40	179.9	0	0	0	0	0	115.2	C108	C108-G110 PolarHBondContact O-N 2.59Å; C108-G110 VanDerWaalsContact O-N 3.15Å; C108-G110 PolarHBondContact SG-N 3.39Å; C108-G110 VanDerWaalsContact SG-N 3.4Å
111	C	67.5	Low	76.7	Confident	50 Å²	50	44.3 Å²	44.3	34%	0.338	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-4.3	-177	59.8	0	0	0	0	114.9	C108 S113 C158	C108-C111 VanDerWaalsContact CB-SG 3.56Å; C111-S113 PolarHBondContact O-N 2.65Å; C111-S113 VanDerWaalsContact O-N 3.07Å; C111-C158 VanDerWaalsContact SG-SG 3.63Å
112	G	74.1	Confident	75.9	Confident	48 Å²	48	48.5 Å²	48.5	50%	0.495	31%	0.307	S	S	.	.			trans	71.5	-8.6	-179	0	0	0	0	0	115.4	T107 C108	T107-G112 WeakPolarHBondContact CB-O 3.48Å; T107-G112 VanDerWaalsContact CG2-O 3.26Å; T107-G112 WeakPolarHBondContact CG2-O 3.43Å; C108-G112 WeakPolarHBondContact O-CA 3.49Å; C108-G112 PolarHBondContact O-N 3.16Å
113	S	74.7	Confident	75.2	Confident	27 Å²	27	47.3 Å²	47.3	19%	0.189	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-68.4	143.4	178.8	-47.6	0	0	0	0	111.9	T107 C108 C111 P123	T107-S113 CarbonylContact C-O 3.59Å; T107-S113 WeakPolarHBondContact CA-O 3.24Å; C108-S113 PolarHBondContact N-O 3.42Å; C111-S113 PolarHBondContact O-N 2.65Å; C111-S113 VanDerWaalsContact O-N 3.07Å; S113-P123 WeakPolarHBondContact CB-O 3.36Å; S113-P123 VanDerWaalsContact OG-CB 3.31Å; S113-P123 WeakPolarHBondContact OG-CB 3.26Å
114	P	82.9	Confident	75	Confident	59 Å²	59	42.7 Å²	42.7	38%	0.383	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-62.6	136.1	176.1	27.4	-34.9	0	0	0	110.8	L103	L103-P114 HydrophobicContact CD2-CB 4.07Å; L103-P114 HydrophobicContact CD2-CG 3.96Å
115	L	85.4	Confident	75.1	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-73.3	137.3	-177.3	-64.7	172	0	0	0	111.3	L104 I106 C108 G124 I126 T153 C155	L104-L115 HydrophobicContact CB-CB 4.17Å; L104-L115 WeakPolarHBondContact CB-O 3.26Å; L104-L115 HydrophobicContact CD1-CB 3.85Å; L104-L115 HydrophobicContact CG-CB 4.48Å; L104-L115 PolarHBondContact N-O 2.94Å; I106-L115 HydrophobicContact CB-CD1 4.3Å; I106-L115 HydrophobicContact CG2-CD1 3.94Å; I106-L115 WeakPolarHBondContact O-CB 3.32Å; I106-L115 WeakPolarHBondContact O-CG 3.47Å; I106-L115 PolarHBondContact O-N 3.45Å; C108-L115 HydrophobicContact CB-CD2 3.74Å; L115-G124 WeakPolarHBondContact CA-O 3.34Å; L115-I126 HydrophobicContact CB-CD1 4.16Å; L115-I126 HydrophobicContact CB-CG1 4.49Å; L115-I126 HydrophobicContact CD2-CG2 4.03Å; L115-T153 HydrophobicContact CD1-CG2 3.62Å; L115-C155 HydrophobicContact CD2-CB 3.99Å
116	H	85.2	Confident	75.7	Confident	16 Å²	16	36 Å²	36	7%	0.074	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-150.6	160.6	-177.6	66.7	74.6	0	0	0	112.7	L103 K118 A119 P123 G124 F125 I126	L103-H116 HydrophobicContact CD2-CB 3.89Å; H116-K118 PolarHBondContact ND1-N 3.18Å; H116-A119 PolarHBondContact CE1-O 2.87Å; H116-P123 PolarHBondContact NE2-O 3.44Å; H116-G124 PolarHBondContact N-O 3.36Å; H116-F125 AromaticContact ND1-CD2 4Å; H116-F125 PolarHBondContact NE2-N 3.4Å; H116-F125 CarbonylContact O-C 3.38Å; H116-F125 VanDerWaalsContact O-CA 3.31Å; H116-F125 WeakPolarHBondContact O-CA 3.14Å; H116-I126 WeakPolarHBondContact O-CG1 3.34Å; H116-I126 PolarHBondContact O-N 3.34Å
117	S	85.4	Confident	75.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-113.9	9.6	170	-154.8	0	0	0	0	113.5	D96 D98 A119 I126 S128	D96-S117 PolarHBondContact O-OG 2.96Å; D98-S117 PolarHBondContact N-O 3.28Å; S117-A119 PolarHBondContact O-N 3.46Å; S117-I126 WeakPolarHBondContact CA-O 3.45Å; S117-I126 WeakPolarHBondContact CB-O 3.49Å; S117-I126 PolarHBondContact OG-O 2.87Å; S117-S128 WeakPolarHBondContact OG-CA 3.46Å; S117-S128 WeakPolarHBondContact OG-CB 3.28Å; S117-S128 PolarHBondContact OG-N 3.33Å
118	K	76.7	Confident	75.8	Confident	94 Å²	94	30.7 Å²	30.7	41%	0.409	20%	0.2	S	C	.	.	S	Bend	trans	-68.2	-37.9	-167.3	-72.3	-169.3	170.8	-168.9	0	117	L101 H116	L101-K118 WeakPolarHBondContact O-CE 3.41Å; L101-K118 WeakPolarHBondContact O-CG 3.43Å; H116-K118 PolarHBondContact ND1-N 3.18Å
119	A	70	Confident	75.9	Confident	28 Å²	28	34.5 Å²	34.5	23%	0.231	22%	0.223	C	C	.	.	S	Bend	trans	-151.7	124.3	-171.7	0	0	0	0	0	108.7	E97 H116 S117 Y122 F125	E97-A119 WeakPolarHBondContact OE2-CA 3.49Å; H116-A119 PolarHBondContact CE1-O 2.87Å; S117-A119 PolarHBondContact O-N 3.46Å; A119-Y122 HydrophobicContact CB-CD2 3.49Å; A119-Y122 VanDerWaalsContact CB-CD2 3.49Å; A119-Y122 HydrophobicContact CB-CE2 3.88Å; A119-Y122 HydrophobicContact CB-CG 4.42Å; A119-F125 WeakPolarHBondContact O-CD2 3.11Å
120	A	64.7	Low	76	Confident	24 Å²	24	32.5 Å²	32.5	20%	0.198	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	145.1	179.1	0	0	0	0	0	111.1	Y94 E97 Y122 F125	Y94-A120 HydrophobicContact CD1-CB 3.82Å; Y94-A120 HydrophobicContact CG-CB 4.34Å; E97-A120 VanDerWaalsContact CD-CB 3.44Å; E97-A120 HydrophobicContact CG-CB 3.83Å; E97-A120 WeakPolarHBondContact OE1-CB 3.48Å; E97-A120 PolarHBondContact OE1-N 3.07Å; E97-A120 PolarHBondContact OE2-N 2.94Å; A120-Y122 VanDerWaalsContact C-N 3.27Å; A120-Y122 PolarHBondContact O-N 3.02Å; A120-F125 HydrophobicContact CB-CE1 4.32Å; A120-F125 HydrophobicContact CB-CE2 4.45Å; A120-F125 HydrophobicContact CB-CZ 4.23Å
121	G	60.7	Low	76.7	Confident	3 Å²	3	30.2 Å²	30.2	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-31.6	175.1	0	0	0	0	0	116.4	E320 H323	G121-E320 VanDerWaalsContact O-CD 3.24Å; G121-H323 WeakPolarHBondContact CA-NE2 3.43Å
122	Y	63.6	Low	77.5	Confident	114 Å²	114	32.4 Å²	32.4	45%	0.447	19%	0.186	S	C	.	.	S	Bend	trans	-56.4	147.2	178.3	-78	-92	0	0	0	112.3	A119 A120 G124 F125	A119-Y122 HydrophobicContact CB-CD2 3.49Å; A119-Y122 VanDerWaalsContact CB-CD2 3.49Å; A119-Y122 HydrophobicContact CB-CE2 3.88Å; A119-Y122 HydrophobicContact CB-CG 4.42Å; A120-Y122 VanDerWaalsContact C-N 3.27Å; A120-Y122 PolarHBondContact O-N 3.02Å; Y122-G124 PolarHBondContact O-N 2.89Å; Y122-G124 VanDerWaalsContact O-N 3.12Å; Y122-F125 WeakPolarHBondContact O-CB 3.45Å; Y122-F125 PolarHBondContact O-N 3.49Å
123	P	65.9	Low	77.8	Confident	50 Å²	50	34.9 Å²	34.9	33%	0.325	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	117.4	-176.9	-22.9	34.5	0	0	0	111.8	S113 H116 E320	S113-P123 WeakPolarHBondContact CB-O 3.36Å; S113-P123 VanDerWaalsContact OG-CB 3.31Å; S113-P123 WeakPolarHBondContact OG-CB 3.26Å; H116-P123 PolarHBondContact NE2-O 3.44Å; P123-E320 WeakPolarHBondContact CD-OE1 3.39Å
124	G	74.1	Confident	78	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.1	-6.4	-173.5	0	0	0	0	0	114.1	L115 H116 Y122 I126	L115-G124 WeakPolarHBondContact CA-O 3.34Å; H116-G124 PolarHBondContact N-O 3.36Å; Y122-G124 PolarHBondContact O-N 2.89Å; Y122-G124 VanDerWaalsContact O-N 3.12Å; G124-I126 PolarHBondContact O-N 3.24Å
125	F	80.6	Confident	77.7	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.022	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-58.1	130.4	-179.9	-176.4	-104.1	0	0	0	114.1	Y94 E97 H116 A119 A120 Y122 C155 V156	Y94-F125 HydrophobicContact CD1-CD1 4.12Å; Y94-F125 AromaticContact CD1-CE1 3.81Å; Y94-F125 HydrophobicContact CD1-CE1 3.81Å; Y94-F125 HydrophobicContact CE1-CD1 4.16Å; Y94-F125 HydrophobicContact CE1-CE1 4.27Å; E97-F125 HydrophobicContact CG-CE2 3.78Å; E97-F125 HydrophobicContact CG-CZ 3.88Å; H116-F125 AromaticContact ND1-CD2 4Å; H116-F125 PolarHBondContact NE2-N 3.4Å; H116-F125 CarbonylContact O-C 3.38Å; H116-F125 VanDerWaalsContact O-CA 3.31Å; H116-F125 WeakPolarHBondContact O-CA 3.14Å; A119-F125 WeakPolarHBondContact O-CD2 3.11Å; A120-F125 HydrophobicContact CB-CE1 4.32Å; A120-F125 HydrophobicContact CB-CE2 4.45Å; A120-F125 HydrophobicContact CB-CZ 4.23Å; Y122-F125 WeakPolarHBondContact O-CB 3.45Å; Y122-F125 PolarHBondContact O-N 3.49Å; F125-C155 VanDerWaalsContact O-CB 3.32Å; F125-C155 WeakPolarHBondContact O-CB 3.44Å; F125-V156 HydrophobicContact CD1-CB 4.49Å; F125-V156 HydrophobicContact CD1-CG2 4.04Å; F125-V156 HydrophobicContact CE1-CG2 4.41Å; F125-V156 PolarHBondContact O-N 3.17Å
126	I	85.9	Confident	77.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.			trans	-133.7	147.8	168.1	52.8	167.5	0	0	0	110.1	L104 L115 H116 S117 G124 Y131 I134 C155	L104-I126 HydrophobicContact CD1-CD1 3.83Å; L115-I126 HydrophobicContact CB-CD1 4.16Å; L115-I126 HydrophobicContact CB-CG1 4.49Å; L115-I126 HydrophobicContact CD2-CG2 4.03Å; H116-I126 WeakPolarHBondContact O-CG1 3.34Å; H116-I126 PolarHBondContact O-N 3.34Å; S117-I126 WeakPolarHBondContact CA-O 3.45Å; S117-I126 WeakPolarHBondContact CB-O 3.49Å; S117-I126 PolarHBondContact OG-O 2.87Å; G124-I126 PolarHBondContact O-N 3.24Å; I126-Y131 HydrophobicContact CD1-CD2 4.19Å; I126-Y131 HydrophobicContact CD1-CG 4.47Å; I126-I134 HydrophobicContact CD1-CD1 3.73Å; I126-C155 HydrophobicContact CG2-CB 4.49Å
127	P	84.3	Confident	76.2	Confident	4 Å²	4	42.1 Å²	42.1	3%	0.026	23%	0.23	C	C	.	.			trans	-59.4	148.9	176.3	-25.3	37.7	0	0	0	112.3	I93 D96 T129 E130 Y131 V156	I93-P127 HydrophobicContact CG2-CG 3.87Å; D96-P127 HydrophobicContact CB-CB 4.06Å; D96-P127 WeakPolarHBondContact OD2-CB 3.26Å; P127-T129 PolarHBondContact O-N 2.88Å; P127-E130 PolarHBondContact O-N 2.72Å; P127-Y131 PolarHBondContact O-N 3.14Å; P127-V156 HydrophobicContact CG-CG2 4.32Å
128	S	83.3	Confident	75	Confident	8 Å²	8	45.5 Å²	45.5	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-32.8	-178.2	98	0	0	0	0	111.9	D96 S117 Y131 K132	D96-S128 VanDerWaalsContact CG-N 3.3Å; D96-S128 PolarHBondContact O-N 3.43Å; D96-S128 VanDerWaalsContact OD1-CB 3.23Å; D96-S128 WeakPolarHBondContact OD1-CB 3.42Å; D96-S128 PolarHBondContact OD1-OG 3.11Å; D96-S128 PolarHBondContact OD2-N 2.88Å; S117-S128 WeakPolarHBondContact OG-CA 3.46Å; S117-S128 WeakPolarHBondContact OG-CB 3.28Å; S117-S128 PolarHBondContact OG-N 3.33Å; S128-Y131 PolarHBondContact O-N 3.01Å; S128-K132 WeakPolarHBondContact O-CB 3.43Å; S128-K132 WeakPolarHBondContact O-CD 3.44Å; S128-K132 WeakPolarHBondContact O-CG 3.34Å; S128-K132 PolarHBondContact O-N 3.38Å; S128-K132 PolarHBondContact OG-NZ 3.44Å
129	T	82.8	Confident	73.8	Confident	82 Å²	82	43.6 Å²	43.6	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-46.6	171.6	47.8	0	0	0	0	112.7	D96 P127 K132 N133	D96-T129 WeakPolarHBondContact OD2-CB 3.27Å; D96-T129 VanDerWaalsContact OD2-CG2 3.3Å; D96-T129 WeakPolarHBondContact OD2-CG2 3Å; D96-T129 PolarHBondContact OD2-N 3.32Å; D96-T129 PolarHBondContact OD2-OG1 2.87Å; P127-T129 PolarHBondContact O-N 2.88Å; T129-K132 PolarHBondContact O-N 2.89Å; T129-N133 VanDerWaalsContact O-CG 3.24Å; T129-N133 PolarHBondContact O-N 2.9Å; T129-N133 VanDerWaalsContact O-N 3.09Å; T129-N133 PolarHBondContact O-ND2 2.95Å
130	E	79	Confident	72.7	Confident	20 Å²	20	50.7 Å²	50.7	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-40.2	177.9	-162.8	-175.8	177.7	0	0	111.5	F40 P127 K132 N133 I134	F40-E130 HydrophobicContact CD1-CG 4.29Å; F40-E130 VanDerWaalsContact CD1-OE1 3.26Å; F40-E130 WeakPolarHBondContact CD1-OE1 3.47Å; F40-E130 HydrophobicContact CE1-CG 4.29Å; F40-E130 WeakPolarHBondContact CE1-OE1 3.35Å; F40-E130 VanDerWaalsContact CE1-OE2 3.23Å; F40-E130 WeakPolarHBondContact CE1-OE2 3.34Å; F40-E130 VanDerWaalsContact CZ-OE2 3.32Å; F40-E130 WeakPolarHBondContact CZ-OE2 3.46Å; P127-E130 PolarHBondContact O-N 2.72Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 2.9Å; E130-N133 WeakPolarHBondContact O-CB 3.44Å; E130-N133 PolarHBondContact O-N 3.25Å; E130-N133 VanDerWaalsContact O-N 3.14Å; E130-I134 HydrophobicContact CG-CD1 4.21Å; E130-I134 WeakPolarHBondContact O-CG1 3.39Å; E130-I134 PolarHBondContact O-N 3.46Å
131	Y	85.1	Confident	71.4	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-53.8	-48.4	171.9	-177.2	-70.7	0	0	0	111.2	L101 P102 L104 I126 P127 S128 N133 I134 M135	L101-Y131 HydrophobicContact CB-CE1 4.19Å; L101-Y131 HydrophobicContact CB-CE2 4.17Å; L101-Y131 HydrophobicContact CD1-CD1 3.66Å; L101-Y131 HydrophobicContact CD1-CD2 4.41Å; L101-Y131 HydrophobicContact CD1-CE1 4Å; L101-Y131 HydrophobicContact CD1-CG 3.93Å; L101-Y131 HydrophobicContact CD2-CE1 4.2Å; L101-Y131 HydrophobicContact CG-CD1 4.5Å; L101-Y131 HydrophobicContact CG-CE1 4.36Å; P102-Y131 WeakPolarHBondContact CG-OH 3.14Å; P102-Y131 VanDerWaalsContact O-CE2 3.31Å; P102-Y131 WeakPolarHBondContact O-CE2 3.49Å; P102-Y131 PolarHBondContact O-OH 3.46Å; L104-Y131 HydrophobicContact CD1-CD2 3.9Å; L104-Y131 HydrophobicContact CD1-CE2 4.02Å; L104-Y131 HydrophobicContact CD1-CG 4.49Å; L104-Y131 HydrophobicContact CD2-CD2 4.28Å; L104-Y131 HydrophobicContact CD2-CE1 4.17Å; L104-Y131 HydrophobicContact CD2-CE2 3.71Å; L104-Y131 HydrophobicContact CG-CD2 3.89Å; L104-Y131 HydrophobicContact CG-CE2 3.46Å; L104-Y131 VanDerWaalsContact CG-CE2 3.46Å; I126-Y131 HydrophobicContact CD1-CD2 4.19Å; I126-Y131 HydrophobicContact CD1-CG 4.47Å; P127-Y131 PolarHBondContact O-N 3.14Å; S128-Y131 PolarHBondContact O-N 3.01Å; Y131-N133 VanDerWaalsContact C-N 3.33Å; Y131-N133 PolarHBondContact O-N 3.46Å; Y131-I134 PolarHBondContact O-N 3.14Å; Y131-M135 HydrophobicContact CE1-SD 3.71Å; Y131-M135 WeakPolarHBondContact O-CB 3.35Å; Y131-M135 PolarHBondContact O-N 2.86Å
132	K	83	Confident	70.3	Confident	95 Å²	95	60.5 Å²	60.5	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-34.1	179.4	-71.7	157.7	-171.3	154	0	111.6	D98 S128 T129 E130 S136	D98-K132 IonicContact OD2-NZ 2.67Å; D98-K132 PolarHBondContact OD2-NZ 2.82Å; S128-K132 WeakPolarHBondContact O-CB 3.43Å; S128-K132 WeakPolarHBondContact O-CD 3.44Å; S128-K132 WeakPolarHBondContact O-CG 3.34Å; S128-K132 PolarHBondContact O-N 3.38Å; S128-K132 PolarHBondContact OG-NZ 3.44Å; T129-K132 PolarHBondContact O-N 2.89Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 2.9Å; K132-S136 WeakPolarHBondContact O-CB 3.5Å; K132-S136 PolarHBondContact O-N 2.64Å; K132-S136 PolarHBondContact O-OG 3.38Å
133	N	81.5	Confident	68.9	Low	100 Å²	100	59.7 Å²	59.7	54%	0.535	35%	0.35	S	S	.	.	H	α-helix	trans	-67.6	-44.2	172.6	-67.3	-25.6	0	0	0	112.6	T129 E130 Y131 S136 S137	T129-N133 VanDerWaalsContact O-CG 3.24Å; T129-N133 PolarHBondContact O-N 2.9Å; T129-N133 VanDerWaalsContact O-N 3.09Å; T129-N133 PolarHBondContact O-ND2 2.95Å; E130-N133 WeakPolarHBondContact O-CB 3.44Å; E130-N133 PolarHBondContact O-N 3.25Å; E130-N133 VanDerWaalsContact O-N 3.14Å; Y131-N133 VanDerWaalsContact C-N 3.33Å; Y131-N133 PolarHBondContact O-N 3.46Å; N133-S136 WeakPolarHBondContact CA-OG 3.44Å; N133-S136 PolarHBondContact O-OG 3.22Å; N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 3.46Å; N133-S137 PolarHBondContact O-OG 2.92Å
134	I	78.6	Confident	67.5	Low	12 Å²	12	67.9 Å²	67.9	6%	0.062	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-43.9	177.6	-66.4	161.4	0	0	0	110.4	L104 I106 I126 E130 Y131 S137 T138 T153	L104-I134 HydrophobicContact CD1-CG2 4.16Å; I106-I134 HydrophobicContact CD1-CG2 3.82Å; I126-I134 HydrophobicContact CD1-CD1 3.73Å; E130-I134 HydrophobicContact CG-CD1 4.21Å; E130-I134 WeakPolarHBondContact O-CG1 3.39Å; E130-I134 PolarHBondContact O-N 3.46Å; Y131-I134 PolarHBondContact O-N 3.14Å; I134-S137 PolarHBondContact O-N 3.05Å; I134-S137 PolarHBondContact O-OG 3.43Å; I134-T138 PolarHBondContact O-N 3.38Å; I134-T138 VanDerWaalsContact O-N 3.07Å; I134-T138 PolarHBondContact O-OG1 2.83Å; I134-T153 HydrophobicContact CD1-CG2 3.82Å
135	M	76.4	Confident	65.7	Low	104 Å²	104	73.7 Å²	73.7	51%	0.512	41%	0.412	S	S	.	.	H	α-helix	trans	-68.6	-37.9	-178.7	-163.8	167.1	-178.3	0	0	112.5	Y131 T138 G139	Y131-M135 HydrophobicContact CE1-SD 3.71Å; Y131-M135 WeakPolarHBondContact O-CB 3.35Å; Y131-M135 PolarHBondContact O-N 2.86Å; M135-T138 WeakPolarHBondContact CA-OG1 3.36Å; M135-T138 PolarHBondContact O-N 2.89Å; M135-T138 PolarHBondContact O-OG1 2.98Å; M135-T138 VanDerWaalsContact O-OG1 3.14Å; M135-G139 PolarHBondContact O-N 2.69Å; M135-G139 VanDerWaalsContact O-N 3.1Å
136	S	72.6	Confident	63.5	Low	63 Å²	63	82.6 Å²	82.6	44%	0.441	45%	0.451	S	S	.	.	H	α-helix	trans	-68.8	-36.8	173.3	51.6	0	0	0	0	112.7	K132 N133 T138 G139	K132-S136 WeakPolarHBondContact O-CB 3.5Å; K132-S136 PolarHBondContact O-N 2.64Å; K132-S136 PolarHBondContact O-OG 3.38Å; N133-S136 WeakPolarHBondContact CA-OG 3.44Å; N133-S136 PolarHBondContact O-OG 3.22Å; S136-T138 VanDerWaalsContact C-N 3.32Å; S136-T138 PolarHBondContact O-N 3.36Å; S136-G139 PolarHBondContact O-N 3.1Å
137	S	66.4	Low	61	Low	75 Å²	75	93.5 Å²	93.5	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-67.6	-29.7	175.6	76.1	0	0	0	0	113.5	N133 I134	N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 3.46Å; N133-S137 PolarHBondContact O-OG 2.92Å; I134-S137 PolarHBondContact O-N 3.05Å; I134-S137 PolarHBondContact O-OG 3.43Å
138	T	60.2	Low	58.8	Low	71 Å²	71	102.4 Å²	102.4	44%	0.436	53%	0.527	S	S	.	.	H	α-helix	trans	-83.8	-25.2	176.7	38.2	0	0	0	0	113.4	I106 I134 M135 S136	I106-T138 HydrophobicContact CD1-CG2 4.39Å; I134-T138 PolarHBondContact O-N 3.38Å; I134-T138 VanDerWaalsContact O-N 3.07Å; I134-T138 PolarHBondContact O-OG1 2.83Å; M135-T138 WeakPolarHBondContact CA-OG1 3.36Å; M135-T138 PolarHBondContact O-N 2.89Å; M135-T138 PolarHBondContact O-OG1 2.98Å; M135-T138 VanDerWaalsContact O-OG1 3.14Å; S136-T138 VanDerWaalsContact C-N 3.32Å; S136-T138 PolarHBondContact O-N 3.36Å
139	G	50.9	Low	56.6	Low	54 Å²	54	110.3 Å²	110.3	56%	0.557	56%	0.56	S	S	*	*	H	α-helix	trans	-75.7	-23	-179.2	0	0	0	0	0	116.3	M135 S136 S141	M135-G139 PolarHBondContact O-N 2.69Å; M135-G139 VanDerWaalsContact O-N 3.1Å; S136-G139 PolarHBondContact O-N 3.1Å; G139-S141 PolarHBondContact O-N 3.37Å
140	Q	47.2	Very low	54.8	Low	178 Å²	178	110.7 Å²	110.7	83%	0.832	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	3.9	-171.1	-70.9	-171.6	-1.1	0	0	115.9
141	S	37.3	Very low	53.8	Low	57 Å²	57	113.9 Å²	113.9	40%	0.399	59%	0.585	S	S	.	*			trans	-127.1	75.1	-176.4	-161	0	0	0	0	113.6	G139 S143 R148	G139-S141 PolarHBondContact O-N 3.37Å; S141-S143 VanDerWaalsContact C-N 3.32Å; S141-R148 PolarHBondContact O-NH2 2.92Å
142	L	37.2	Very low	52.9	Low	175 Å²	175	119.5 Å²	119.5	92%	0.916	61%	0.609	S	S	*	*			trans	-86.5	7.4	170.6	-88.4	159.3	0	0	0	113.5
143	S	35.8	Very low	52.6	Low	98 Å²	98	115.6 Å²	115.6	69%	0.685	59%	0.594	S	S	*	*	S	Bend	trans	-140.4	51.4	-165.5	51.7	0	0	0	0	115.5	S141	S141-S143 VanDerWaalsContact C-N 3.32Å
144	R	35.6	Very low	52.3	Low	221 Å²	221	112.5 Å²	112.5	83%	0.834	58%	0.577	S	S	*	*			trans	170.1	122.1	139.8	-97.3	160.8	172.6	165.7	-2.1	112.8
145	P	35.4	Very low	52.4	Low	123 Å²	123	112 Å²	112	80%	0.799	57%	0.574	S	S	*	*			trans	-91.9	104.9	168.7	33.4	-27.5	0	0	0	110.3
146	K	34.6	Very low	52.3	Low	192 Å²	192	107.6 Å²	107.6	84%	0.835	55%	0.553	S	S	*	*	S	Bend	trans	-164.4	-24.8	157.3	-113.6	158.2	-170.9	-177.9	0	117.2
147	Y	34.3	Very low	51.9	Low	229 Å²	229	108.5 Å²	108.5	90%	0.898	55%	0.547	S	S	*	.			trans	-145.3	88.4	172.9	-76.5	-83	0	0	0	111.4
148	R	37.3	Very low	51.9	Low	190 Å²	190	105.6 Å²	105.6	72%	0.717	53%	0.527	S	S	*	.			trans	-93	115.2	162.2	-76.1	-175.6	176.1	173.2	-2.5	107.6	S141	S141-R148 PolarHBondContact O-NH2 2.92Å
149	K	37.2	Very low	52.5	Low	174 Å²	174	104.4 Å²	104.4	76%	0.757	52%	0.518	S	S	*	.			trans	-58.3	134	168	-74.1	-174.8	175.6	-175.8	0	108	V151	K149-V151 PolarHBondContact O-N 3.12Å
150	P	45.4	Very low	53.3	Low	91 Å²	91	103.6 Å²	103.6	59%	0.591	50%	0.5	S	S	*	.			trans	-61.6	125	173.7	25.2	-32.9	0	0	0	109.2	F152	P150-F152 HydrophobicContact CB-CE2 4.2Å; P150-F152 HydrophobicContact CB-CZ 4.33Å; P150-F152 HydrophobicContact CG-CD2 4.33Å; P150-F152 HydrophobicContact CG-CE2 3.63Å; P150-F152 HydrophobicContact CG-CZ 3.93Å; P150-F152 PolarHBondContact O-N 3.35Å
151	V	57.2	Low	54	Low	87 Å²	87	99.1 Å²	99.1	53%	0.527	48%	0.481	S	S	.	.			trans	-79.9	100.1	175.4	-173.4	0	0	0	0	107.3	K149 T153	K149-V151 PolarHBondContact O-N 3.12Å; V151-T153 WeakPolarHBondContact CG1-OG1 3.05Å; V151-T153 PolarHBondContact O-N 3.49Å
152	F	66.3	Low	55.1	Low	121 Å²	121	100.1 Å²	100.1	53%	0.531	48%	0.48	S	S	.	.			trans	-76.1	73.2	177.5	-71.3	-76.4	0	0	0	111	P150	P150-F152 HydrophobicContact CB-CE2 4.2Å; P150-F152 HydrophobicContact CB-CZ 4.33Å; P150-F152 HydrophobicContact CG-CD2 4.33Å; P150-F152 HydrophobicContact CG-CE2 3.63Å; P150-F152 HydrophobicContact CG-CZ 3.93Å; P150-F152 PolarHBondContact O-N 3.35Å
153	T	76.9	Confident	56.3	Low	13 Å²	13	96.1 Å²	96.1	8%	0.08	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-84.3	129.7	174.7	-58.2	0	0	0	0	111.2	C108 S109 L115 I134 V151	C108-T153 WeakPolarHBondContact CA-O 3.45Å; S109-T153 PolarHBondContact N-O 3.08Å; S109-T153 PolarHBondContact OG-O 3.38Å; L115-T153 HydrophobicContact CD1-CG2 3.62Å; I134-T153 HydrophobicContact CD1-CG2 3.82Å; V151-T153 WeakPolarHBondContact CG1-OG1 3.05Å; V151-T153 PolarHBondContact O-N 3.49Å
154	L	76	Confident	57.1	Low	34 Å²	34	94.5 Å²	94.5	18%	0.178	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-104	133.2	172.7	-64.9	168.5	0	0	0	109.6	S109 C158 N159	S109-L154 WeakPolarHBondContact OG-CD2 3.34Å; L154-C158 HydrophobicContact CB-CB 4.15Å; L154-C158 HydrophobicContact CD2-CB 3.95Å; L154-N159 HydrophobicContact CB-CB 4.47Å
155	C	80.1	Confident	57.9	Low	1 Å²	1	88.6 Å²	88.6	1%	0.007	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-64.4	160	168.7	68.7	0	0	0	0	110.8	C108 L115 F125 I126 R157 C158 N159	C108-C155 HydrophobicContact CB-CB 4.27Å; C108-C155 PolarHBondContact SG-N 2.95Å; L115-C155 HydrophobicContact CD2-CB 3.99Å; F125-C155 VanDerWaalsContact O-CB 3.32Å; F125-C155 WeakPolarHBondContact O-CB 3.44Å; I126-C155 HydrophobicContact CG2-CB 4.49Å; C155-R157 PolarHBondContact O-N 3Å; C155-R157 VanDerWaalsContact O-N 3.12Å; C155-C158 PolarHBondContact O-N 3.02Å; C155-N159 PolarHBondContact O-N 3.41Å
156	V	73.7	Confident	58.6	Low	13 Å²	13	87.2 Å²	87.2	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-51.9	-42.9	-176.2	-179.7	0	0	0	0	111.5	I93 Y94 F125 P127 C158 N159 L160	I93-V156 HydrophobicContact CG2-CG1 4Å; I93-V156 HydrophobicContact CG2-CG2 3.96Å; Y94-V156 HydrophobicContact CE1-CB 4.43Å; Y94-V156 HydrophobicContact CE1-CG1 3.88Å; Y94-V156 WeakPolarHBondContact OH-CG1 3.28Å; F125-V156 HydrophobicContact CD1-CB 4.49Å; F125-V156 HydrophobicContact CD1-CG2 4.04Å; F125-V156 HydrophobicContact CE1-CG2 4.41Å; F125-V156 PolarHBondContact O-N 3.17Å; P127-V156 HydrophobicContact CG-CG2 4.32Å; V156-C158 PolarHBondContact O-N 2.91Å; V156-N159 PolarHBondContact O-N 2.96Å; V156-L160 HydrophobicContact CG1-CD1 3.99Å; V156-L160 HydrophobicContact CG1-CG 4.42Å; V156-L160 WeakPolarHBondContact O-CG 3.34Å; V156-L160 PolarHBondContact O-N 2.88Å
157	R	65.4	Low	59.2	Low	82 Å²	82	79.2 Å²	79.2	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-56.7	-46.6	175.2	169.3	175.3	172.5	161.2	-1.9	113.1	C155 L161 E320 I322	C155-R157 PolarHBondContact O-N 3Å; C155-R157 VanDerWaalsContact O-N 3.12Å; R157-L161 HydrophobicContact CG-CD1 4.08Å; R157-L161 WeakPolarHBondContact O-CB 3.38Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.3Å; R157-L161 PolarHBondContact O-N 3.42Å; R157-L161 VanDerWaalsContact O-N 3.09Å; R157-E320 IonicContact NH1-OE2 2.65Å; R157-I322 HydrophobicContact CG-CD1 3.79Å
158	C	66.1	Low	59.7	Low	14 Å²	14	71.8 Å²	71.8	10%	0.095	36%	0.356	C	S	.	.	H	α-helix	trans	-72.2	-37	-179.5	-71.8	0	0	0	0	112.1	C108 C111 L154 C155 V156 L161 Q162	C108-C158 VanDerWaalsContact SG-SG 3.66Å; C111-C158 VanDerWaalsContact SG-SG 3.63Å; L154-C158 HydrophobicContact CB-CB 4.15Å; L154-C158 HydrophobicContact CD2-CB 3.95Å; C155-C158 PolarHBondContact O-N 3.02Å; V156-C158 PolarHBondContact O-N 2.91Å; C158-L161 PolarHBondContact O-N 3.35Å; C158-Q162 WeakPolarHBondContact O-CB 3.49Å; C158-Q162 PolarHBondContact O-N 2.99Å
159	N	73.2	Confident	60	Low	46 Å²	46	70 Å²	70	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-45.1	174.8	-170.3	-11.6	0	0	0	111.2	L154 C155 V156 Q162 K163	L154-N159 HydrophobicContact CB-CB 4.47Å; C155-N159 PolarHBondContact O-N 3.41Å; V156-N159 PolarHBondContact O-N 2.96Å; N159-Q162 PolarHBondContact O-N 2.98Å; N159-K163 WeakPolarHBondContact O-CB 3.36Å; N159-K163 WeakPolarHBondContact O-CG 3.46Å; N159-K163 PolarHBondContact O-N 2.67Å; N159-K163 VanDerWaalsContact OD1-CE 3.23Å; N159-K163 WeakPolarHBondContact OD1-CE 3.39Å
160	L	67.4	Low	60.4	Low	36 Å²	36	67.4 Å²	67.4	19%	0.188	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-42.7	175.2	-70.2	172	0	0	0	112.9	L85 L90 Y94 V156 H164	L85-L160 HydrophobicContact CD1-CD2 4.04Å; L90-L160 HydrophobicContact CD2-CD1 3.98Å; L90-L160 HydrophobicContact CD2-CD2 4.11Å; Y94-L160 WeakPolarHBondContact OH-CD1 3.21Å; V156-L160 HydrophobicContact CG1-CD1 3.99Å; V156-L160 HydrophobicContact CG1-CG 4.42Å; V156-L160 WeakPolarHBondContact O-CG 3.34Å; V156-L160 PolarHBondContact O-N 2.88Å; L160-H164 WeakPolarHBondContact O-CB 3.14Å; L160-H164 PolarHBondContact O-N 2.92Å
161	L	61.3	Low	60.4	Low	84 Å²	84	68.5 Å²	68.5	44%	0.44	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-38.9	175.7	-73.7	168.4	0	0	0	112.5	R157 C158 H164 N165	R157-L161 HydrophobicContact CG-CD1 4.08Å; R157-L161 WeakPolarHBondContact O-CB 3.38Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.3Å; R157-L161 PolarHBondContact O-N 3.42Å; R157-L161 VanDerWaalsContact O-N 3.09Å; C158-L161 PolarHBondContact O-N 3.35Å; L161-H164 PolarHBondContact O-N 2.91Å; L161-N165 WeakPolarHBondContact O-CB 3.48Å; L161-N165 PolarHBondContact O-N 3.44Å
162	Q	61.3	Low	60.1	Low	79 Å²	79	66.8 Å²	66.8	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-51.6	175.5	176.5	171.9	-7.9	0	0	110.8	C158 N159 H164 N165 E166	C158-Q162 WeakPolarHBondContact O-CB 3.49Å; C158-Q162 PolarHBondContact O-N 2.99Å; N159-Q162 PolarHBondContact O-N 2.98Å; Q162-H164 VanDerWaalsContact C-N 3.28Å; Q162-H164 PolarHBondContact O-N 3.14Å; Q162-N165 PolarHBondContact O-N 3.26Å; Q162-E166 HydrophobicContact CG-CG 4.28Å; Q162-E166 VanDerWaalsContact CG-OE1 3.26Å; Q162-E166 WeakPolarHBondContact CG-OE1 3.45Å; Q162-E166 PolarHBondContact NE2-OE1 2.63Å; Q162-E166 WeakPolarHBondContact O-CG 3.18Å; Q162-E166 PolarHBondContact O-N 3.34Å
163	K	61.4	Low	59.4	Low	91 Å²	91	66.7 Å²	66.7	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-56.2	-42.9	176.4	-74.5	-179.6	176.1	-177.9	0	111.7	N159 E166 A167	N159-K163 WeakPolarHBondContact O-CB 3.36Å; N159-K163 WeakPolarHBondContact O-CG 3.46Å; N159-K163 PolarHBondContact O-N 2.67Å; N159-K163 VanDerWaalsContact OD1-CE 3.23Å; N159-K163 WeakPolarHBondContact OD1-CE 3.39Å; K163-E166 PolarHBondContact O-N 3.49Å; K163-A167 WeakPolarHBondContact O-CB 3.32Å; K163-A167 PolarHBondContact O-N 2.81Å
164	H	53.3	Low	58.3	Low	64 Å²	64	68.3 Å²	68.3	30%	0.296	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-42.1	175.7	-172.4	-82.9	0	0	0	112.4	L160 L161 Q162 S168 L338	L160-H164 WeakPolarHBondContact O-CB 3.14Å; L160-H164 PolarHBondContact O-N 2.92Å; L161-H164 PolarHBondContact O-N 2.91Å; Q162-H164 VanDerWaalsContact C-N 3.28Å; Q162-H164 PolarHBondContact O-N 3.14Å; H164-S168 VanDerWaalsContact O-CB 3.29Å; H164-S168 WeakPolarHBondContact O-CB 3.36Å; H164-S168 PolarHBondContact O-N 3.24Å; H164-S168 PolarHBondContact O-OG 3.03Å; H164-L338 VanDerWaalsContact NE2-CD1 3.28Å; H164-L338 WeakPolarHBondContact NE2-CD1 3.35Å
165	N	51.2	Low	57.5	Low	96 Å²	96	70.4 Å²	70.4	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-67.6	-40.3	177.2	-78	-17.1	0	0	0	112.9	L161 Q162 S168	L161-N165 WeakPolarHBondContact O-CB 3.48Å; L161-N165 PolarHBondContact O-N 3.44Å; Q162-N165 PolarHBondContact O-N 3.26Å; N165-S168 PolarHBondContact O-OG 2.86Å
166	E	51.1	Low	56.5	Low	94 Å²	94	76.2 Å²	76.2	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-49.7	175.1	-74	167.4	173	0	0	110.7	Q162 K163 S168 K169	Q162-E166 HydrophobicContact CG-CG 4.28Å; Q162-E166 VanDerWaalsContact CG-OE1 3.26Å; Q162-E166 WeakPolarHBondContact CG-OE1 3.45Å; Q162-E166 PolarHBondContact NE2-OE1 2.63Å; Q162-E166 WeakPolarHBondContact O-CG 3.18Å; Q162-E166 PolarHBondContact O-N 3.34Å; K163-E166 PolarHBondContact O-N 3.49Å; E166-S168 VanDerWaalsContact C-N 3.3Å; E166-S168 PolarHBondContact O-N 3.03Å; E166-K169 VanDerWaalsContact O-CB 3.31Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.76Å
167	A	47.3	Very low	55.9	Low	25 Å²	25	76.4 Å²	76.4	21%	0.207	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-28.4	-178.3	0	0	0	0	0	112.1	K163 K169 E170 M335	K163-A167 WeakPolarHBondContact O-CB 3.32Å; K163-A167 PolarHBondContact O-N 2.81Å; A167-K169 PolarHBondContact O-N 3.23Å; A167-K169 VanDerWaalsContact O-N 3.14Å; A167-E170 PolarHBondContact O-N 2.92Å; A167-M335 HydrophobicContact CB-CE 3.35Å; A167-M335 HydrophobicContact CB-CG 3.93Å; A167-M335 HydrophobicContact CB-SD 3.42Å; A167-M335 WeakPolarHBondContact CB-SD 3.45Å
168	S	43.7	Very low	55.8	Low	72 Å²	72	74.3 Å²	74.3	50%	0.503	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.4	170.2	75.6	0	0	0	0	115.2	H164 N165 E166	H164-S168 VanDerWaalsContact O-CB 3.29Å; H164-S168 WeakPolarHBondContact O-CB 3.36Å; H164-S168 PolarHBondContact O-N 3.24Å; H164-S168 PolarHBondContact O-OG 3.03Å; N165-S168 PolarHBondContact O-OG 2.86Å; E166-S168 VanDerWaalsContact C-N 3.3Å; E166-S168 PolarHBondContact O-N 3.03Å
169	K	44.8	Very low	56	Low	154 Å²	154	76.9 Å²	76.9	67%	0.67	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.9	174.2	-62.2	171.3	-177.3	175.5	0	113.4	E166 A167 T171	E166-K169 VanDerWaalsContact O-CB 3.31Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.76Å; A167-K169 PolarHBondContact O-N 3.23Å; A167-K169 VanDerWaalsContact O-N 3.14Å; K169-T171 PolarHBondContact O-N 2.77Å
170	E	45.2	Very low	55.7	Low	119 Å²	119	76 Å²	76	56%	0.556	39%	0.393	S	S	*	.	S	Bend	trans	-68.4	122.4	177.1	-68.4	-169.6	164.4	0	0	110.3	A167 I172	A167-E170 PolarHBondContact O-N 2.92Å; E170-I172 PolarHBondContact O-N 2.88Å
171	T	45.3	Very low	56.1	Low	114 Å²	114	74.7 Å²	74.7	70%	0.699	39%	0.386	S	S	*	.			trans	-76.1	85.2	-175.2	49.2	0	0	0	0	111	K169 N173	K169-T171 PolarHBondContact O-N 2.77Å; T171-N173 PolarHBondContact O-N 2.89Å
172	I	51.1	Low	57	Low	50 Å²	50	71 Å²	71	26%	0.256	37%	0.367	S	S	.	.			trans	-72.8	123.2	171.6	-43.6	180	0	0	0	108.9	E170 Y176 F177 T333	E170-I172 PolarHBondContact O-N 2.88Å; I172-Y176 HydrophobicContact CG2-CD1 4.47Å; I172-F177 HydrophobicContact CB-CB 4.32Å; I172-F177 HydrophobicContact CD1-CD2 4.29Å; I172-F177 HydrophobicContact CG2-CB 3.71Å; I172-F177 HydrophobicContact CG2-CD2 4.3Å; I172-F177 HydrophobicContact CG2-CG 4.42Å; I172-T333 HydrophobicContact CD1-CG2 4.45Å
173	N	52.2	Low	57.9	Low	120 Å²	120	72.3 Å²	72.3	64%	0.642	37%	0.373	S	S	*	.			trans	-65.8	137.5	-176.3	-147.8	-9.5	0	0	0	111.2	T171 S175 Y176 F177	T171-N173 PolarHBondContact O-N 2.89Å; N173-S175 VanDerWaalsContact C-N 3.28Å; N173-S175 PolarHBondContact O-N 3.14Å; N173-S175 VanDerWaalsContact O-N 3.14Å; N173-Y176 PolarHBondContact O-N 2.67Å; N173-F177 PolarHBondContact O-N 3.38Å
174	E	53.9	Low	58.7	Low	47 Å²	47	69.4 Å²	69.4	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-51.7	-43.8	-167.8	-171.4	178.4	-159.5	0	0	112.8	L178 V488 K491	E174-L178 HydrophobicContact CG-CD1 4.29Å; E174-L178 WeakPolarHBondContact O-CB 3.36Å; E174-L178 WeakPolarHBondContact O-CG 3.34Å; E174-L178 PolarHBondContact O-N 2.93Å; E174-L178 VanDerWaalsContact O-N 3.13Å; E174-V488 HydrophobicContact CG-CG1 4.35Å; E174-K491 WeakPolarHBondContact OE2-CE 3.31Å; E174-K491 IonicContact OE2-NZ 3.22Å; E174-K491 PolarHBondContact OE2-NZ 3.41Å
175	S	58.9	Low	60.1	Low	77 Å²	77	66.3 Å²	66.3	54%	0.538	35%	0.347	S	S	.	.	H	α-helix	trans	-70.2	-41.9	179.3	52.2	0	0	0	0	113.9	N173 T179	N173-S175 VanDerWaalsContact C-N 3.28Å; N173-S175 PolarHBondContact O-N 3.14Å; N173-S175 VanDerWaalsContact O-N 3.14Å; S175-T179 WeakPolarHBondContact O-CB 3.34Å; S175-T179 PolarHBondContact O-N 3.33Å; S175-T179 VanDerWaalsContact O-N 3.11Å; S175-T179 PolarHBondContact O-OG1 3.39Å
176	Y	59.7	Low	61.7	Low	124 Å²	124	66.2 Å²	66.2	49%	0.486	34%	0.343	S	S	.	.	H	α-helix	trans	-70.6	-40.3	-179.3	-165.6	-99.3	0	0	0	111	I172 N173 N180	I172-Y176 HydrophobicContact CG2-CD1 4.47Å; N173-Y176 PolarHBondContact O-N 2.67Å; Y176-N180 WeakPolarHBondContact CE1-ND2 3.47Å; Y176-N180 PolarHBondContact O-N 2.71Å
177	F	60.8	Low	63.2	Low	17 Å²	17	67.9 Å²	67.9	8%	0.075	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-53.1	176.5	-179.1	-113.7	0	0	0	112.1	I172 N173 T179 N180 V181 P486 V488	I172-F177 HydrophobicContact CB-CB 4.32Å; I172-F177 HydrophobicContact CD1-CD2 4.29Å; I172-F177 HydrophobicContact CG2-CB 3.71Å; I172-F177 HydrophobicContact CG2-CD2 4.3Å; I172-F177 HydrophobicContact CG2-CG 4.42Å; N173-F177 PolarHBondContact O-N 3.38Å; F177-T179 PolarHBondContact O-N 2.89Å; F177-N180 PolarHBondContact O-N 2.71Å; F177-V181 HydrophobicContact CD2-CG2 3.92Å; F177-V181 HydrophobicContact CE1-CG2 4.02Å; F177-V181 HydrophobicContact CE2-CG2 3.3Å; F177-V181 HydrophobicContact CG-CG2 4.47Å; F177-V181 HydrophobicContact CZ-CB 4.48Å; F177-V181 HydrophobicContact CZ-CG2 3.37Å; F177-V181 WeakPolarHBondContact O-CB 3.41Å; F177-V181 WeakPolarHBondContact O-CG2 3.43Å; F177-V181 PolarHBondContact O-N 3.02Å; F177-P486 HydrophobicContact CD2-CB 4.35Å; F177-P486 HydrophobicContact CD2-CG 4.39Å; F177-P486 HydrophobicContact CE1-CB 4.25Å; F177-P486 WeakPolarHBondContact CE1-O 3.47Å; F177-P486 HydrophobicContact CE2-CB 3.48Å; F177-P486 VanDerWaalsContact CE2-CB 3.48Å; F177-P486 VanDerWaalsContact CE2-CD 3.5Å; F177-P486 HydrophobicContact CE2-CG 3.42Å; F177-P486 VanDerWaalsContact CE2-CG 3.42Å; F177-P486 HydrophobicContact CZ-CB 3.4Å; F177-P486 VanDerWaalsContact CZ-CB 3.4Å; F177-P486 HydrophobicContact CZ-CG 3.75Å; F177-P486 WeakPolarHBondContact CZ-O 3.41Å; F177-V488 HydrophobicContact CD1-CG2 3.98Å; F177-V488 HydrophobicContact CE1-CG2 3.74Å
178	L	63.1	Low	64.9	Low	38 Å²	38	70.4 Å²	70.4	20%	0.199	35%	0.354	C	S	.	.	H	α-helix	trans	-57.3	-51.1	179.7	-82.5	170.9	0	0	0	110.7	E174 N180 V181 I182 I207 V488	E174-L178 HydrophobicContact CG-CD1 4.29Å; E174-L178 WeakPolarHBondContact O-CB 3.36Å; E174-L178 WeakPolarHBondContact O-CG 3.34Å; E174-L178 PolarHBondContact O-N 2.93Å; E174-L178 VanDerWaalsContact O-N 3.13Å; L178-N180 PolarHBondContact O-N 3.13Å; L178-V181 PolarHBondContact O-N 3.06Å; L178-I182 HydrophobicContact CB-CD1 4.02Å; L178-I182 HydrophobicContact CD2-CD1 4.19Å; L178-I182 VanDerWaalsContact O-CB 3.24Å; L178-I182 WeakPolarHBondContact O-CB 3.43Å; L178-I182 VanDerWaalsContact O-CD1 3.26Å; L178-I182 WeakPolarHBondContact O-CD1 3.49Å; L178-I182 VanDerWaalsContact O-CG1 3.24Å; L178-I182 WeakPolarHBondContact O-CG1 3.38Å; L178-I182 PolarHBondContact O-N 2.83Å; L178-I207 HydrophobicContact CD2-CG2 4.44Å; L178-V488 HydrophobicContact CD1-CG1 4.35Å; L178-V488 HydrophobicContact CD2-CG1 4.46Å; L178-V488 HydrophobicContact CD2-CG2 3.93Å; L178-V488 HydrophobicContact CG-CG1 4.42Å; L178-V488 HydrophobicContact CG-CG2 4.48Å
179	T	68.9	Low	66.5	Low	68 Å²	68	74.7 Å²	74.7	42%	0.417	37%	0.366	S	S	.	.	H	α-helix	trans	-54.4	-49.9	-178	-55.5	0	0	0	0	112.2	S175 F177 Q183	S175-T179 WeakPolarHBondContact O-CB 3.34Å; S175-T179 PolarHBondContact O-N 3.33Å; S175-T179 VanDerWaalsContact O-N 3.11Å; S175-T179 PolarHBondContact O-OG1 3.39Å; F177-T179 PolarHBondContact O-N 2.89Å; T179-Q183 WeakPolarHBondContact O-CB 3.5Å; T179-Q183 VanDerWaalsContact O-CG 3.27Å; T179-Q183 WeakPolarHBondContact O-CG 3.35Å; T179-Q183 PolarHBondContact O-N 2.94Å
180	N	68.3	Low	68.3	Low	27 Å²	27	72.4 Å²	72.4	14%	0.144	36%	0.361	C	S	.	.	H	α-helix	trans	-67.4	-45.8	-179.2	-67.4	-3	0	0	0	111.2	Y176 F177 L178 I182 Q183 E184 W330	Y176-N180 WeakPolarHBondContact CE1-ND2 3.47Å; Y176-N180 PolarHBondContact O-N 2.71Å; F177-N180 PolarHBondContact O-N 2.71Å; L178-N180 PolarHBondContact O-N 3.13Å; N180-I182 VanDerWaalsContact C-N 3.33Å; N180-I182 PolarHBondContact O-N 3.13Å; N180-Q183 PolarHBondContact O-N 2.72Å; N180-E184 PolarHBondContact O-N 3.45Å; N180-W330 VanDerWaalsContact C-CZ3 3.49Å; N180-W330 HydrophobicContact CB-CZ3 4.06Å; N180-W330 VanDerWaalsContact O-CH2 3.3Å; N180-W330 WeakPolarHBondContact O-CH2 3.18Å; N180-W330 WeakPolarHBondContact O-CZ3 3.28Å
181	V	75.5	Confident	70.3	Confident	8 Å²	8	66.8 Å²	66.8	5%	0.048	34%	0.335	C	S	.	.	H	α-helix	trans	-57.4	-47	177.7	170.2	0	0	0	0	111.8	F177 L178 E184 I185 W330 T485	F177-V181 HydrophobicContact CD2-CG2 3.92Å; F177-V181 HydrophobicContact CE1-CG2 4.02Å; F177-V181 HydrophobicContact CE2-CG2 3.3Å; F177-V181 HydrophobicContact CG-CG2 4.47Å; F177-V181 HydrophobicContact CZ-CB 4.48Å; F177-V181 HydrophobicContact CZ-CG2 3.37Å; F177-V181 WeakPolarHBondContact O-CB 3.41Å; F177-V181 WeakPolarHBondContact O-CG2 3.43Å; F177-V181 PolarHBondContact O-N 3.02Å; L178-V181 PolarHBondContact O-N 3.06Å; V181-E184 PolarHBondContact O-N 2.94Å; V181-I185 HydrophobicContact CG1-CD1 3.76Å; V181-I185 VanDerWaalsContact O-CG1 3.28Å; V181-I185 WeakPolarHBondContact O-CG1 3.24Å; V181-I185 PolarHBondContact O-N 2.89Å; V181-W330 HydrophobicContact CG2-CH2 4.36Å; V181-T485 HydrophobicContact CG1-CG2 3.99Å
182	I	80.5	Confident	72.5	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-45.1	179.1	-74.9	156.5	0	0	0	110.6	L178 N180 E184 I185 Q186 E213 L214	L178-I182 HydrophobicContact CB-CD1 4.02Å; L178-I182 HydrophobicContact CD2-CD1 4.19Å; L178-I182 VanDerWaalsContact O-CB 3.24Å; L178-I182 WeakPolarHBondContact O-CB 3.43Å; L178-I182 VanDerWaalsContact O-CD1 3.26Å; L178-I182 WeakPolarHBondContact O-CD1 3.49Å; L178-I182 VanDerWaalsContact O-CG1 3.24Å; L178-I182 WeakPolarHBondContact O-CG1 3.38Å; L178-I182 PolarHBondContact O-N 2.83Å; N180-I182 VanDerWaalsContact C-N 3.33Å; N180-I182 PolarHBondContact O-N 3.13Å; I182-E184 PolarHBondContact O-N 2.85Å; I182-I185 PolarHBondContact O-N 3.44Å; I182-Q186 HydrophobicContact CG2-CG 4.19Å; I182-Q186 VanDerWaalsContact CG2-NE2 3.34Å; I182-Q186 WeakPolarHBondContact O-CB 3.22Å; I182-Q186 VanDerWaalsContact O-CG 3.28Å; I182-Q186 WeakPolarHBondContact O-CG 3.45Å; I182-Q186 PolarHBondContact O-N 3.37Å; I182-E213 HydrophobicContact CD1-CB 3.41Å; I182-E213 VanDerWaalsContact CD1-CB 3.41Å; I182-E213 HydrophobicContact CD1-CG 3.58Å; I182-E213 HydrophobicContact CG1-CB 3.95Å; I182-E213 HydrophobicContact CG2-CB 4Å; I182-L214 HydrophobicContact CB-CD2 4.31Å; I182-L214 HydrophobicContact CG1-CD2 4.18Å; I182-L214 HydrophobicContact CG1-CG 4.16Å; I182-L214 HydrophobicContact CG2-CD2 4.04Å
183	Q	78.8	Confident	74.5	Confident	105 Å²	105	59 Å²	59	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-43.3	179.9	-77.3	175.9	11.6	0	0	113.2	T179 N180 Q186 K187	T179-Q183 WeakPolarHBondContact O-CB 3.5Å; T179-Q183 VanDerWaalsContact O-CG 3.27Å; T179-Q183 WeakPolarHBondContact O-CG 3.35Å; T179-Q183 PolarHBondContact O-N 2.94Å; N180-Q183 PolarHBondContact O-N 2.72Å; Q183-Q186 PolarHBondContact O-N 2.92Å; Q183-K187 WeakPolarHBondContact O-CG 3.24Å; Q183-K187 PolarHBondContact O-N 3.27Å
184	E	78.9	Confident	76.5	Confident	30 Å²	30	53.2 Å²	53.2	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-40	177.3	-165.8	74.7	-143.2	0	0	112.2	N180 V181 I182 Q186 K187 Y188 W330	N180-E184 PolarHBondContact O-N 3.45Å; V181-E184 PolarHBondContact O-N 2.94Å; I182-E184 PolarHBondContact O-N 2.85Å; E184-Q186 VanDerWaalsContact C-N 3.27Å; E184-Q186 PolarHBondContact O-N 3Å; E184-K187 WeakPolarHBondContact O-CB 3.12Å; E184-K187 PolarHBondContact O-N 2.67Å; E184-K187 WeakPolarHBondContact OE1-CD 3.45Å; E184-K187 IonicContact OE1-NZ 3.8Å; E184-K187 PolarHBondContact OE1-NZ 2.71Å; E184-K187 WeakPolarHBondContact OE2-CE 3.36Å; E184-K187 IonicContact OE2-NZ 2.99Å; E184-K187 PolarHBondContact OE2-NZ 3.16Å; E184-Y188 WeakPolarHBondContact O-CD2 3.46Å; E184-W330 HydrophobicContact CB-CH2 3.08Å; E184-W330 HydrophobicContact CB-CZ2 3.26Å; E184-W330 HydrophobicContact CB-CZ3 3.99Å; E184-W330 HydrophobicContact CG-CH2 3.81Å; E184-W330 HydrophobicContact CG-CZ2 3.43Å; E184-W330 VanDerWaalsContact CG-CZ2 3.43Å
185	I	83.6	Confident	78.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-33.5	177.7	-62.1	176.1	0	0	0	110.3	V181 I182 Y188 A191 V193 L214 K217 Y292 I294	V181-I185 HydrophobicContact CG1-CD1 3.76Å; V181-I185 VanDerWaalsContact O-CG1 3.28Å; V181-I185 WeakPolarHBondContact O-CG1 3.24Å; V181-I185 PolarHBondContact O-N 2.89Å; I182-I185 PolarHBondContact O-N 3.44Å; I185-Y188 PolarHBondContact O-N 3.48Å; I185-A191 HydrophobicContact CG2-CB 4.32Å; I185-V193 HydrophobicContact CG2-CG2 3.96Å; I185-L214 HydrophobicContact CB-CD2 3.9Å; I185-L214 HydrophobicContact CG2-CD1 4.48Å; I185-L214 HydrophobicContact CG2-CD2 3.69Å; I185-K217 HydrophobicContact CG2-CG 4.47Å; I185-K217 VanDerWaalsContact O-CE 3.26Å; I185-K217 WeakPolarHBondContact O-CE 3.34Å; I185-K217 PolarHBondContact O-NZ 2.86Å; I185-Y292 HydrophobicContact CB-CD2 4.49Å; I185-Y292 HydrophobicContact CB-CE2 4.5Å; I185-Y292 HydrophobicContact CD1-CD1 3.96Å; I185-Y292 HydrophobicContact CD1-CD2 4.28Å; I185-Y292 HydrophobicContact CD1-CG 3.76Å; I185-Y292 HydrophobicContact CG1-CD1 3.68Å; I185-Y292 HydrophobicContact CG1-CD2 3.8Å; I185-Y292 HydrophobicContact CG1-CE1 3.88Å; I185-Y292 HydrophobicContact CG1-CE2 3.99Å; I185-Y292 HydrophobicContact CG1-CG 3.64Å; I185-Y292 HydrophobicContact CG2-CD2 4.21Å; I185-Y292 HydrophobicContact CG2-CE2 4.47Å; I185-I294 HydrophobicContact CD1-CD1 3.61Å; I185-I294 HydrophobicContact CD1-CG1 4.32Å
186	Q	85	Confident	80.2	Confident	93 Å²	93	47.4 Å²	47.4	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-39	173.4	-78.7	177.3	-1.6	0	0	112.2	I182 Q183 E184 Y188 E213 L214 K217	I182-Q186 HydrophobicContact CG2-CG 4.19Å; I182-Q186 VanDerWaalsContact CG2-NE2 3.34Å; I182-Q186 WeakPolarHBondContact O-CB 3.22Å; I182-Q186 VanDerWaalsContact O-CG 3.28Å; I182-Q186 WeakPolarHBondContact O-CG 3.45Å; I182-Q186 PolarHBondContact O-N 3.37Å; Q183-Q186 PolarHBondContact O-N 2.92Å; E184-Q186 VanDerWaalsContact C-N 3.27Å; E184-Q186 PolarHBondContact O-N 3Å; Q186-Y188 PolarHBondContact O-N 2.82Å; Q186-E213 PolarHBondContact NE2-O 3.3Å; Q186-L214 HydrophobicContact CG-CD2 4.38Å; Q186-K217 PolarHBondContact O-NZ 2.72Å; Q186-K217 VanDerWaalsContact O-NZ 3.15Å
187	K	81.7	Confident	81.9	Confident	129 Å²	129	41.5 Å²	41.5	56%	0.561	20%	0.2	S	C	*	.	H	α-helix	trans	-51.7	-32.7	179.3	-65.6	176.1	-174.6	175.5	0	114.2	Q183 E184	Q183-K187 WeakPolarHBondContact O-CG 3.24Å; Q183-K187 PolarHBondContact O-N 3.27Å; E184-K187 WeakPolarHBondContact O-CB 3.12Å; E184-K187 PolarHBondContact O-N 2.67Å; E184-K187 WeakPolarHBondContact OE1-CD 3.45Å; E184-K187 IonicContact OE1-NZ 3.8Å; E184-K187 PolarHBondContact OE1-NZ 2.71Å; E184-K187 WeakPolarHBondContact OE2-CE 3.36Å; E184-K187 IonicContact OE2-NZ 2.99Å; E184-K187 PolarHBondContact OE2-NZ 3.16Å
188	Y	81.9	Confident	83.4	Confident	79 Å²	79	41.1 Å²	41.1	31%	0.31	20%	0.199	S	C	.	.	S	Bend	trans	-103	95.8	-179.1	-62.3	-82.1	0	0	0	109.5	E184 I185 Q186 D190 A191 K217 P290 Y292	E184-Y188 WeakPolarHBondContact O-CD2 3.46Å; I185-Y188 PolarHBondContact O-N 3.48Å; Q186-Y188 PolarHBondContact O-N 2.82Å; Y188-D190 PolarHBondContact O-N 2.88Å; Y188-A191 VanDerWaalsContact O-CB 3.27Å; Y188-A191 WeakPolarHBondContact O-CB 3.34Å; Y188-A191 PolarHBondContact O-N 3.31Å; Y188-K217 PolarHBondContact O-NZ 2.84Å; Y188-P290 HydrophobicContact CD1-CG 4.01Å; Y188-P290 HydrophobicContact CD2-CG 4.04Å; Y188-P290 HydrophobicContact CE1-CG 4.5Å; Y188-P290 HydrophobicContact CG-CG 3.75Å; Y188-Y292 WeakPolarHBondContact CD2-OH 3.49Å; Y188-Y292 WeakPolarHBondContact CE2-OH 3.46Å
189	E	78.1	Confident	84.8	Confident	162 Å²	162	39.3 Å²	39.3	76%	0.757	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.2	-57	-174.3	-67.8	-173.4	155.7	0	0	112.6	A191 K217	E189-A191 VanDerWaalsContact C-N 3.34Å; E189-A191 PolarHBondContact O-N 3.26Å; E189-K217 WeakPolarHBondContact O-CD 2.96Å; E189-K217 PolarHBondContact O-NZ 3.01Å
190	D	82.2	Confident	85.7	Confident	105 Å²	105	36.8 Å²	36.8	56%	0.561	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	22.6	-177.1	-69.7	-35	0	0	0	115.9	Y188 R218 N289	Y188-D190 PolarHBondContact O-N 2.88Å; D190-R218 PolarHBondContact O-NH2 3.49Å; D190-N289 WeakPolarHBondContact CB-ND2 3.49Å; D190-N289 PolarHBondContact O-ND2 3.15Å; D190-N289 VanDerWaalsContact O-ND2 3.12Å
191	A	87.8	Confident	86.8	Confident	1 Å²	1	36 Å²	36	1%	0.008	17%	0.171	C	C	.	.			trans	-58.4	148	176.8	0	0	0	0	0	112.8	I185 Y188 E189 K217 P290 Y292	I185-A191 HydrophobicContact CG2-CB 4.32Å; Y188-A191 VanDerWaalsContact O-CB 3.27Å; Y188-A191 WeakPolarHBondContact O-CB 3.34Å; Y188-A191 PolarHBondContact O-N 3.31Å; E189-A191 VanDerWaalsContact C-N 3.34Å; E189-A191 PolarHBondContact O-N 3.26Å; A191-K217 HydrophobicContact CB-CD 4.46Å; A191-P290 HydrophobicContact CB-CG 4.45Å; A191-Y292 HydrophobicContact CB-CD2 4.22Å; A191-Y292 HydrophobicContact CB-CE2 4.02Å
192	V	90.9	Very high	87.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.8	177.1	167.8	0	0	0	0	109.6	I194 V220 F285 P290 I291 Y292	V192-I194 HydrophobicContact CG1-CG1 4.24Å; V192-V220 HydrophobicContact CG1-CG2 4.37Å; V192-F285 HydrophobicContact CB-CE1 4.43Å; V192-F285 HydrophobicContact CB-CZ 4.13Å; V192-F285 HydrophobicContact CG1-CE1 3.89Å; V192-F285 HydrophobicContact CG1-CZ 3.54Å; V192-F285 HydrophobicContact CG2-CE1 3.75Å; V192-F285 HydrophobicContact CG2-CE2 4.37Å; V192-F285 HydrophobicContact CG2-CZ 3.43Å; V192-F285 VanDerWaalsContact CG2-CZ 3.43Å; V192-P290 PolarHBondContact N-O 3.35Å; V192-I291 HydrophobicContact CB-CG1 4.07Å; V192-I291 HydrophobicContact CG1-CG1 4.15Å; V192-I291 HydrophobicContact CG1-CG2 4.48Å; V192-I291 CarbonylContact O-C 3.49Å; V192-I291 WeakPolarHBondContact O-CA 3.19Å; V192-Y292 PolarHBondContact O-N 3.35Å
193	V	92.9	Very high	88.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.4	177.1	-178.6	0	0	0	0	109.2	I185 V195 L214 K217 R218 Y219 V220 I294	I185-V193 HydrophobicContact CG2-CG2 3.96Å; V193-V195 HydrophobicContact CG1-CG2 3.88Å; V193-L214 HydrophobicContact CG2-CD1 4.29Å; V193-K217 HydrophobicContact CG2-CB 4.15Å; V193-R218 PolarHBondContact N-O 3.28Å; V193-Y219 HydrophobicContact CB-CD1 3.9Å; V193-Y219 HydrophobicContact CB-CE1 4.1Å; V193-Y219 HydrophobicContact CG1-CD1 3.99Å; V193-Y219 HydrophobicContact CG1-CE1 4.06Å; V193-Y219 WeakPolarHBondContact O-CA 3.49Å; V193-V220 PolarHBondContact O-N 3.39Å; V193-I294 HydrophobicContact CG1-CB 4.3Å; V193-I294 HydrophobicContact CG1-CD1 3.53Å; V193-I294 HydrophobicContact CG1-CG1 3.96Å
194	I	94.7	Very high	88.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	108.4	171.7	-58.1	-174.4	0	0	0	107.5	V192 I196 V220 V222 L280 I291 Y292 L293 I294	V192-I194 HydrophobicContact CG1-CG1 4.24Å; I194-I196 HydrophobicContact CG2-CG1 4.08Å; I194-V220 CarbonylContact C-O 3.51Å; I194-V220 WeakPolarHBondContact CA-O 3.41Å; I194-V220 HydrophobicContact CG1-CB 4.23Å; I194-V222 HydrophobicContact CG2-CB 4.22Å; I194-V222 HydrophobicContact CG2-CG2 3.5Å; I194-L280 HydrophobicContact CD1-CD1 3.99Å; I194-L280 HydrophobicContact CD1-CD2 4.08Å; I194-I291 HydrophobicContact CD1-CG2 3.46Å; I194-I291 VanDerWaalsContact CD1-CG2 3.46Å; I194-I291 HydrophobicContact CG1-CG2 3.76Å; I194-Y292 PolarHBondContact N-O 3.06Å; I194-L293 HydrophobicContact CB-CD2 3.82Å; I194-L293 HydrophobicContact CD1-CD2 3.83Å; I194-L293 HydrophobicContact CG1-CD2 4.22Å; I194-L293 HydrophobicContact CG2-CD2 4.16Å; I194-I294 PolarHBondContact O-N 3.24Å
195	V	95.6	Very high	89.4	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.8	179.3	-175.9	0	0	0	0	108.9	V193 L206 L210 Y219 V220 L221 V222 I254 I294	V193-V195 HydrophobicContact CG1-CG2 3.88Å; V195-L206 HydrophobicContact CG1-CD2 3.66Å; V195-L210 HydrophobicContact CG1-CD2 4.33Å; V195-L210 HydrophobicContact CG2-CD2 3.82Å; V195-Y219 HydrophobicContact CG2-CD1 3.74Å; V195-Y219 HydrophobicContact CG2-CE1 4.39Å; V195-V220 PolarHBondContact N-O 3.46Å; V195-L221 HydrophobicContact CB-CD2 3.95Å; V195-L221 HydrophobicContact CG1-CD2 4.47Å; V195-L221 HydrophobicContact CG2-CD2 4.42Å; V195-V222 PolarHBondContact O-N 3.43Å; V195-I254 HydrophobicContact CG2-CD1 4.23Å; V195-I294 WeakPolarHBondContact CA-O 3.48Å
196	I	95.7	Very high	89.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.6	-174.4	-52.6	162.6	0	0	0	109	I194 V222 N224 L293 I294 G295 V299 K301 L304	I194-I196 HydrophobicContact CG2-CG1 4.08Å; I196-V222 WeakPolarHBondContact CA-O 3.41Å; I196-V222 HydrophobicContact CG1-CB 4.35Å; I196-N224 HydrophobicContact CG2-CB 4.1Å; I196-L293 HydrophobicContact CD1-CB 4.07Å; I196-L293 HydrophobicContact CD1-CD2 4.47Å; I196-I294 PolarHBondContact N-O 2.86Å; I196-G295 WeakPolarHBondContact O-CA 3.36Å; I196-V299 HydrophobicContact CB-CG2 4.12Å; I196-V299 HydrophobicContact CG2-CB 4.35Å; I196-V299 HydrophobicContact CG2-CG2 3.78Å; I196-K301 HydrophobicContact CD1-CB 3.96Å; I196-K301 HydrophobicContact CD1-CG 3.84Å; I196-L304 HydrophobicContact CD1-CD2 3.67Å; I196-L304 HydrophobicContact CG1-CD2 3.99Å
197	A	95.2	Very high	90.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.8	179.1	0	0	0	0	0	110.9	V199 L202 L206 V222 G223 N224 L244	A197-V199 PolarHBondContact O-N 2.9Å; A197-L202 HydrophobicContact CB-CD2 3.84Å; A197-L206 HydrophobicContact CB-CD2 3.75Å; A197-L206 HydrophobicContact CB-CG 3.91Å; A197-V222 PolarHBondContact N-O 2.92Å; A197-G223 CarbonylContact O-C 3.46Å; A197-G223 WeakPolarHBondContact O-CA 3.14Å; A197-N224 PolarHBondContact O-N 3.49Å; A197-L244 HydrophobicContact CB-CD1 3.94Å
198	D	92.8	Very high	90.5	Very high	9 Å²	9	23 Å²	23	5%	0.048	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.9	166	-178.7	-14.9	0	0	0	108.9	A200 N201 L202 S205 K225 V299	D198-A200 VanDerWaalsContact C-N 3.27Å; D198-A200 PolarHBondContact O-N 3.07Å; D198-A200 WeakPolarHBondContact OD1-CB 3.46Å; D198-A200 PolarHBondContact OD1-N 3.36Å; D198-N201 HydrophobicContact CB-CB 4.22Å; D198-N201 PolarHBondContact O-N 2.59Å; D198-L202 PolarHBondContact O-N 3.27Å; D198-S205 PolarHBondContact N-OG 3.36Å; D198-S205 PolarHBondContact O-OG 2.85Å; D198-K225 WeakPolarHBondContact OD2-CD 3.44Å; D198-K225 WeakPolarHBondContact OD2-CE 3.46Å; D198-K225 IonicContact OD2-NZ 3.67Å; D198-K225 PolarHBondContact OD2-NZ 3.36Å; D198-V299 HydrophobicContact CB-CG1 4.39Å
199	V	91.9	Very high	90.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-62.9	-33.3	-177.7	-116.3	0	0	0	0	112.5	A197 N201 L202 N224 L229 W240 I264	A197-V199 PolarHBondContact O-N 2.9Å; V199-N201 PolarHBondContact O-N 3.06Å; V199-L202 HydrophobicContact CG1-CD1 3.78Å; V199-N224 WeakPolarHBondContact CG2-O 3.45Å; V199-N224 PolarHBondContact N-O 3.04Å; V199-N224 VanDerWaalsContact N-O 3.15Å; V199-L229 HydrophobicContact CB-CD1 4.09Å; V199-L229 HydrophobicContact CG2-CD1 3.91Å; V199-W240 HydrophobicContact CB-CE3 4.02Å; V199-W240 HydrophobicContact CB-CZ3 4.17Å; V199-W240 HydrophobicContact CG1-CE3 3.65Å; V199-W240 HydrophobicContact CG1-CZ3 4.23Å; V199-W240 WeakPolarHBondContact O-CZ3 3.29Å; V199-I264 HydrophobicContact CG1-CD1 3.91Å
200	A	88	Confident	91.3	Very high	15 Å²	15	16.9 Å²	16.9	12%	0.124	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-71.1	-21.3	-179.7	0	0	0	0	0	112.7	D198 W643	D198-A200 VanDerWaalsContact C-N 3.27Å; D198-A200 PolarHBondContact O-N 3.07Å; D198-A200 WeakPolarHBondContact OD1-CB 3.46Å; D198-A200 PolarHBondContact OD1-N 3.36Å; A200-W643 HydrophobicContact CB-CZ3 4.05Å
201	N	90.1	Very high	91.6	Very high	9 Å²	9	13.3 Å²	13.3	5%	0.048	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-113.7	19.7	-176.5	-161.9	68	0	0	0	113.1	D198 V199 H204 S205 S639 G640	D198-N201 HydrophobicContact CB-CB 4.22Å; D198-N201 PolarHBondContact O-N 2.59Å; V199-N201 PolarHBondContact O-N 3.06Å; N201-H204 PolarHBondContact O-N 3.23Å; N201-S205 PolarHBondContact O-N 3.12Å; N201-S205 VanDerWaalsContact O-N 3.12Å; N201-S205 PolarHBondContact O-OG 3.36Å; N201-S639 VanDerWaalsContact CG-OG 3.31Å; N201-S639 PolarHBondContact ND2-OG 3.47Å; N201-S639 VanDerWaalsContact OD1-CA 3.27Å; N201-S639 WeakPolarHBondContact OD1-CA 3.22Å; N201-S639 PolarHBondContact OD1-OG 3.19Å; N201-G640 PolarHBondContact OD1-N 2.81Å
202	L	92.8	Very high	91.5	Very high	3 Å²	3	16 Å²	16	2%	0.016	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	136.7	173.4	-72.4	173.1	0	0	0	111.4	A197 D198 V199 L206 L244 A247 R706	A197-L202 HydrophobicContact CB-CD2 3.84Å; D198-L202 PolarHBondContact O-N 3.27Å; V199-L202 HydrophobicContact CG1-CD1 3.78Å; L202-L206 HydrophobicContact CD2-CD1 3.84Å; L202-L206 HydrophobicContact CD2-CG 4.13Å; L202-L244 HydrophobicContact CD1-CB 4.16Å; L202-L244 HydrophobicContact CD1-CD1 4.12Å; L202-L244 HydrophobicContact CD2-CD1 3.81Å; L202-A247 HydrophobicContact CB-CB 4.47Å; L202-A247 HydrophobicContact CD2-CB 4.02Å; L202-R706 PolarHBondContact O-NH1 2.82Å
203	P	93.7	Very high	91.2	Very high	23 Å²	23	20.7 Å²	20.7	15%	0.149	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.5	-12.3	6.9	36.2	-35.9	0	0	0	114.2	S205 L206 A247 R251 S704	P203-S205 PolarHBondContact O-N 3.04Å; P203-L206 WeakPolarHBondContact O-CB 3.08Å; P203-L206 PolarHBondContact O-N 2.92Å; P203-A247 HydrophobicContact CB-CB 3.94Å; P203-R251 HydrophobicContact CB-CB 4.49Å; P203-R251 WeakPolarHBondContact O-CD 3.33Å; P203-R251 PolarHBondContact O-NE 3.41Å; P203-S704 WeakPolarHBondContact CD-OG 3.2Å
204	H	92.1	Very high	90.9	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.042	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15	-167.6	-52.4	-65.3	0	0	0	115.7	N201 L206 D492 G702 S704	N201-H204 PolarHBondContact O-N 3.23Å; H204-L206 VanDerWaalsContact C-N 3.31Å; H204-D492 HydrophobicContact CB-CB 4.35Å; H204-G702 PolarHBondContact CD2-O 3.2Å; H204-G702 VanDerWaalsContact CE1-C 3.44Å; H204-G702 VanDerWaalsContact NE2-C 3.28Å; H204-G702 PolarHBondContact NE2-O 2.82Å; H204-G702 VanDerWaalsContact NE2-O 3.16Å; H204-S704 WeakPolarHBondContact NE2-CB 3.37Å; H204-S704 PolarHBondContact NE2-OG 2.88Å
205	S	90.8	Very high	90.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.7	170.8	55	0	0	0	0	115	D198 N201 P203 S296	D198-S205 PolarHBondContact N-OG 3.36Å; D198-S205 PolarHBondContact O-OG 2.85Å; N201-S205 PolarHBondContact O-N 3.12Å; N201-S205 VanDerWaalsContact O-N 3.12Å; N201-S205 PolarHBondContact O-OG 3.36Å; P203-S205 PolarHBondContact O-N 3.04Å; S205-S296 PolarHBondContact O-OG 2.96Å
206	L	92.4	Very high	89.7	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.171	C	C	.	.	S	Bend	trans	-93.9	146.7	174.1	-73.3	163.5	0	0	0	111.5	V195 A197 L202 P203 H204 A247 A248 R251	V195-L206 HydrophobicContact CG1-CD2 3.66Å; A197-L206 HydrophobicContact CB-CD2 3.75Å; A197-L206 HydrophobicContact CB-CG 3.91Å; L202-L206 HydrophobicContact CD2-CD1 3.84Å; L202-L206 HydrophobicContact CD2-CG 4.13Å; P203-L206 WeakPolarHBondContact O-CB 3.08Å; P203-L206 PolarHBondContact O-N 2.92Å; H204-L206 VanDerWaalsContact C-N 3.31Å; L206-A247 HydrophobicContact CD1-CB 3.64Å; L206-A248 HydrophobicContact CD1-CB 4.4Å; L206-R251 PolarHBondContact O-NE 3Å; L206-R251 PolarHBondContact O-NH2 2.85Å
207	I	90.1	Very high	89.4	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.031	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-74.1	126.2	175.9	-61.8	158	0	0	0	108.7	L178 L210 S252 I294 V488	L178-I207 HydrophobicContact CD2-CG2 4.44Å; I207-L210 HydrophobicContact CB-CB 4.42Å; I207-L210 HydrophobicContact CD1-CD1 4.48Å; I207-L210 HydrophobicContact CG2-CB 4.35Å; I207-L210 HydrophobicContact CG2-CD1 4.37Å; I207-S252 WeakPolarHBondContact O-CA 3.38Å; I207-S252 WeakPolarHBondContact O-CB 3.44Å; I207-S252 PolarHBondContact O-OG 3.41Å; I207-I294 HydrophobicContact CD1-CG2 3.37Å; I207-V488 HydrophobicContact CD1-CB 3.97Å; I207-V488 HydrophobicContact CD1-CG2 3.6Å; I207-V488 HydrophobicContact CG1-CB 3.98Å; I207-V488 HydrophobicContact CG1-CG1 4.27Å; I207-V488 HydrophobicContact CG1-CG2 4.14Å
208	P	89.9	Confident	89.2	Confident	56 Å²	56	33.6 Å²	33.6	36%	0.364	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	141	173.6	-23.3	34.1	0	0	0	112.1	L210 R251	P208-L210 PolarHBondContact O-N 2.92Å; P208-R251 WeakPolarHBondContact CA-O 3.31Å
209	E	88.3	Confident	89.2	Confident	110 Å²	110	33.2 Å²	33.2	51%	0.514	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	18.7	168.2	-53.4	-165.3	177.2	0	0	117.3	H211 T212 R251 S252 K253	E209-H211 PolarHBondContact O-N 3.47Å; E209-T212 VanDerWaalsContact O-CB 3.29Å; E209-T212 WeakPolarHBondContact O-CB 3.5Å; E209-T212 PolarHBondContact O-N 3.35Å; E209-T212 PolarHBondContact O-OG1 2.85Å; E209-R251 PolarHBondContact N-O 3.15Å; E209-S252 CarbonylContact C-O 3.56Å; E209-K253 HydrophobicContact CG-CG 4.17Å
210	L	88.7	Confident	89.4	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-49.5	-33	-178.7	-175.7	65.4	0	0	0	113.9	V195 I207 P208 L214 S252 I294	V195-L210 HydrophobicContact CG1-CD2 4.33Å; V195-L210 HydrophobicContact CG2-CD2 3.82Å; I207-L210 HydrophobicContact CB-CB 4.42Å; I207-L210 HydrophobicContact CD1-CD1 4.48Å; I207-L210 HydrophobicContact CG2-CB 4.35Å; I207-L210 HydrophobicContact CG2-CD1 4.37Å; P208-L210 PolarHBondContact O-N 2.92Å; L210-L214 HydrophobicContact CD1-CD1 3.89Å; L210-L214 HydrophobicContact CG-CD1 4.3Å; L210-L214 PolarHBondContact O-N 3.41Å; L210-L214 VanDerWaalsContact O-N 3.14Å; L210-S252 PolarHBondContact N-O 3.46Å; L210-I294 HydrophobicContact CD1-CG2 4.43Å; L210-I294 HydrophobicContact CD2-CG2 4.27Å
211	H	88.4	Confident	89.8	Confident	29 Å²	29	32.5 Å²	32.5	13%	0.134	18%	0.176	C	C	.	.	H	α-helix	trans	-71.2	-31.9	177.9	-171.8	65.9	0	0	0	114.2	E209 E213 L214 K215 Y219 S252 K253 I254 P255	E209-H211 PolarHBondContact O-N 3.47Å; H211-E213 PolarHBondContact O-N 3.14Å; H211-L214 CarbonylContact O-C 3.46Å; H211-L214 PolarHBondContact O-N 2.99Å; H211-K215 WeakPolarHBondContact O-CG 3.05Å; H211-K215 PolarHBondContact O-N 2.87Å; H211-Y219 AromaticContact ND1-CE2 3.41Å; H211-Y219 WeakPolarHBondContact ND1-CE2 2.99Å; H211-Y219 AromaticContact ND1-CZ 3.65Å; H211-Y219 PolarHBondContact ND1-OH 3.21Å; H211-S252 WeakPolarHBondContact CB-O 3.47Å; H211-S252 PolarHBondContact N-O 2.86Å; H211-K253 HydrophobicContact CB-CB 4.49Å; H211-K253 VanDerWaalsContact CB-O 3.22Å; H211-K253 WeakPolarHBondContact CB-O 3.2Å; H211-K253 PolarHBondContact CD2-O 3.09Å; H211-I254 HydrophobicContact CB-CB 4.38Å; H211-I254 HydrophobicContact CB-CG1 3.91Å; H211-P255 VanDerWaalsContact CD2-CD 3.45Å; H211-P255 WeakPolarHBondContact CD2-CD 3.47Å; H211-P255 WeakPolarHBondContact NE2-CD 3.5Å
212	T	87.4	Confident	90.1	Very high	59 Å²	59	32.1 Å²	32.1	36%	0.362	17%	0.174	S	C	.	.	H	α-helix	trans	-58.3	-36.6	179	-53.7	0	0	0	0	110.7	E209 K215	E209-T212 VanDerWaalsContact O-CB 3.29Å; E209-T212 WeakPolarHBondContact O-CB 3.5Å; E209-T212 PolarHBondContact O-N 3.35Å; E209-T212 PolarHBondContact O-OG1 2.85Å; T212-K215 VanDerWaalsContact O-CE 3.27Å; T212-K215 WeakPolarHBondContact O-CE 3.19Å
213	E	83.6	Confident	90.3	Very high	97 Å²	97	32 Å²	32	45%	0.453	17%	0.173	S	C	.	.	H	α-helix	trans	-82.7	-37.9	177.7	-64.1	-59.3	146.5	0	0	113.4	I182 Q186 H211	I182-E213 HydrophobicContact CD1-CB 3.41Å; I182-E213 VanDerWaalsContact CD1-CB 3.41Å; I182-E213 HydrophobicContact CD1-CG 3.58Å; I182-E213 HydrophobicContact CG1-CB 3.95Å; I182-E213 HydrophobicContact CG2-CB 4Å; Q186-E213 PolarHBondContact NE2-O 3.3Å; H211-E213 PolarHBondContact O-N 3.14Å
214	L	86.1	Confident	90.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-108	47.6	-175.3	-68	175.4	0	0	0	112.5	I182 I185 Q186 V193 L210 H211 K217 Y219 I294	I182-L214 HydrophobicContact CB-CD2 4.31Å; I182-L214 HydrophobicContact CG1-CD2 4.18Å; I182-L214 HydrophobicContact CG1-CG 4.16Å; I182-L214 HydrophobicContact CG2-CD2 4.04Å; I185-L214 HydrophobicContact CB-CD2 3.9Å; I185-L214 HydrophobicContact CG2-CD1 4.48Å; I185-L214 HydrophobicContact CG2-CD2 3.69Å; Q186-L214 HydrophobicContact CG-CD2 4.38Å; V193-L214 HydrophobicContact CG2-CD1 4.29Å; L210-L214 HydrophobicContact CD1-CD1 3.89Å; L210-L214 HydrophobicContact CG-CD1 4.3Å; L210-L214 PolarHBondContact O-N 3.41Å; L210-L214 VanDerWaalsContact O-N 3.14Å; H211-L214 CarbonylContact O-C 3.46Å; H211-L214 PolarHBondContact O-N 2.99Å; L214-K217 HydrophobicContact CB-CG 4.05Å; L214-K217 HydrophobicContact CD2-CG 4.43Å; L214-K217 WeakPolarHBondContact O-CB 3.42Å; L214-K217 WeakPolarHBondContact O-CG 3.16Å; L214-K217 PolarHBondContact O-N 2.6Å; L214-Y219 WeakPolarHBondContact CB-OH 3.29Å; L214-Y219 PolarHBondContact O-OH 3.27Å; L214-I294 HydrophobicContact CD1-CD1 3.83Å
215	K	83.5	Confident	90.1	Very high	141 Å²	141	32.6 Å²	32.6	61%	0.613	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	145	176.2	-68.3	-179.5	-178.6	174.2	0	111.6	H211 T212 K217	H211-K215 WeakPolarHBondContact O-CG 3.05Å; H211-K215 PolarHBondContact O-N 2.87Å; T212-K215 VanDerWaalsContact O-CE 3.27Å; T212-K215 WeakPolarHBondContact O-CE 3.19Å; K215-K217 PolarHBondContact O-N 3.32Å
216	G	82.5	Confident	89.9	Confident	64 Å²	64	32.6 Å²	32.6	66%	0.66	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	-8.9	-178.6	0	0	0	0	0	115.8
217	K	88.6	Confident	89.4	Confident	8 Å²	8	33.3 Å²	33.3	4%	0.035	18%	0.178	C	C	.	.			trans	-77	156.4	178.5	-53	-55.6	172	-177.5	0	112.4	I185 Q186 Y188 E189 A191 V193 L214 K215 Y219 N258	I185-K217 HydrophobicContact CG2-CG 4.47Å; I185-K217 VanDerWaalsContact O-CE 3.26Å; I185-K217 WeakPolarHBondContact O-CE 3.34Å; I185-K217 PolarHBondContact O-NZ 2.86Å; Q186-K217 PolarHBondContact O-NZ 2.72Å; Q186-K217 VanDerWaalsContact O-NZ 3.15Å; Y188-K217 PolarHBondContact O-NZ 2.84Å; E189-K217 WeakPolarHBondContact O-CD 2.96Å; E189-K217 PolarHBondContact O-NZ 3.01Å; A191-K217 HydrophobicContact CB-CD 4.46Å; V193-K217 HydrophobicContact CG2-CB 4.15Å; L214-K217 HydrophobicContact CB-CG 4.05Å; L214-K217 HydrophobicContact CD2-CG 4.43Å; L214-K217 WeakPolarHBondContact O-CB 3.42Å; L214-K217 WeakPolarHBondContact O-CG 3.16Å; L214-K217 PolarHBondContact O-N 2.6Å; K215-K217 PolarHBondContact O-N 3.32Å; K217-Y219 HydrophobicContact CB-CE2 4.34Å; K217-Y219 WeakPolarHBondContact O-CD2 3.32Å; K217-Y219 VanDerWaalsContact O-CE2 3.22Å; K217-Y219 WeakPolarHBondContact O-CE2 3.49Å; K217-N258 PolarHBondContact O-ND2 3.28Å
218	R	90.9	Very high	89.1	Confident	61 Å²	61	34.3 Å²	34.3	23%	0.23	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.3	175.7	-72.9	-175.5	-61.9	151.2	2.8	110.4	D190 V193 N260	D190-R218 PolarHBondContact O-NH2 3.49Å; V193-R218 PolarHBondContact N-O 3.28Å; R218-N260 VanDerWaalsContact CB-OD1 3.32Å; R218-N260 WeakPolarHBondContact CB-OD1 3.3Å
219	Y	93.9	Very high	88.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.6	-175.1	-60.5	-91.3	0	0	0	112.5	V193 V195 H211 L214 K217 I254 N258 N260	V193-Y219 HydrophobicContact CB-CD1 3.9Å; V193-Y219 HydrophobicContact CB-CE1 4.1Å; V193-Y219 HydrophobicContact CG1-CD1 3.99Å; V193-Y219 HydrophobicContact CG1-CE1 4.06Å; V193-Y219 WeakPolarHBondContact O-CA 3.49Å; V195-Y219 HydrophobicContact CG2-CD1 3.74Å; V195-Y219 HydrophobicContact CG2-CE1 4.39Å; H211-Y219 AromaticContact ND1-CE2 3.41Å; H211-Y219 WeakPolarHBondContact ND1-CE2 2.99Å; H211-Y219 AromaticContact ND1-CZ 3.65Å; H211-Y219 PolarHBondContact ND1-OH 3.21Å; L214-Y219 WeakPolarHBondContact CB-OH 3.29Å; L214-Y219 PolarHBondContact O-OH 3.27Å; K217-Y219 HydrophobicContact CB-CE2 4.34Å; K217-Y219 WeakPolarHBondContact O-CD2 3.32Å; K217-Y219 VanDerWaalsContact O-CE2 3.22Å; K217-Y219 WeakPolarHBondContact O-CE2 3.49Å; Y219-I254 HydrophobicContact CD1-CD1 3.85Å; Y219-I254 HydrophobicContact CD1-CG1 4.37Å; Y219-I254 HydrophobicContact CD1-CG2 4.45Å; Y219-I254 HydrophobicContact CD2-CG2 3.6Å; Y219-I254 HydrophobicContact CE1-CD1 4.07Å; Y219-I254 HydrophobicContact CE1-CG1 4.26Å; Y219-I254 HydrophobicContact CE2-CG2 4.04Å; Y219-I254 HydrophobicContact CG-CD1 4.24Å; Y219-I254 HydrophobicContact CG-CG2 3.84Å; Y219-N258 HydrophobicContact CD2-CB 3.87Å; Y219-N258 HydrophobicContact CE2-CB 4.25Å; Y219-N258 PolarHBondContact N-O 3.17Å; Y219-N260 PolarHBondContact O-N 3.46Å
220	V	95	Very high	88	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.7	166.1	177.7	0	0	0	0	107.5	V192 V193 I194 V195 V222 Y261 L276 F279 F285	V192-V220 HydrophobicContact CG1-CG2 4.37Å; V193-V220 PolarHBondContact O-N 3.39Å; I194-V220 CarbonylContact C-O 3.51Å; I194-V220 WeakPolarHBondContact CA-O 3.41Å; I194-V220 HydrophobicContact CG1-CB 4.23Å; V195-V220 PolarHBondContact N-O 3.46Å; V220-V222 HydrophobicContact CG1-CG2 4.16Å; V220-Y261 WeakPolarHBondContact CA-O 3.33Å; V220-Y261 HydrophobicContact CG1-CD1 4.27Å; V220-L276 HydrophobicContact CG1-CD1 3.99Å; V220-F279 HydrophobicContact CG2-CE1 3.81Å; V220-F285 HydrophobicContact CG2-CE2 4.17Å; V220-F285 HydrophobicContact CG2-CZ 3.8Å
221	L	97	Very high	87.1	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.6	-179.4	-59.8	-173.5	0	0	0	110.7	V195 L244 A248 I254 I259 Y261 I262 S263	V195-L221 HydrophobicContact CB-CD2 3.95Å; V195-L221 HydrophobicContact CG1-CD2 4.47Å; V195-L221 HydrophobicContact CG2-CD2 4.42Å; L221-L244 HydrophobicContact CB-CD2 4Å; L221-L244 HydrophobicContact CB-CG 4.19Å; L221-L244 HydrophobicContact CD1-CG 4.37Å; L221-A248 HydrophobicContact CD1-CB 3.5Å; L221-A248 VanDerWaalsContact CD1-CB 3.5Å; L221-A248 HydrophobicContact CD2-CB 4.02Å; L221-A248 HydrophobicContact CG-CB 4.43Å; L221-I254 HydrophobicContact CD2-CD1 4.26Å; L221-I259 HydrophobicContact CD1-CD1 3.76Å; L221-I259 HydrophobicContact CD1-CG1 4.39Å; L221-I259 HydrophobicContact CD1-CG2 4.14Å; L221-I259 HydrophobicContact CG-CD1 4.31Å; L221-I259 HydrophobicContact CG-CG1 4.42Å; L221-I259 HydrophobicContact CG-CG2 3.96Å; L221-Y261 PolarHBondContact N-O 3.45Å; L221-I262 HydrophobicContact CB-CG1 4.33Å; L221-I262 HydrophobicContact CB-CG2 4.3Å; L221-I262 HydrophobicContact CD1-CG1 4.45Å; L221-I262 WeakPolarHBondContact O-CA 3.19Å; L221-S263 PolarHBondContact O-N 3.19Å
222	V	97.1	Very high	86	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	102.4	-175.9	179.5	0	0	0	0	110.6	I194 V195 I196 A197 V220 N224 S263 I265 L276 L304	I194-V222 HydrophobicContact CG2-CB 4.22Å; I194-V222 HydrophobicContact CG2-CG2 3.5Å; V195-V222 PolarHBondContact O-N 3.43Å; I196-V222 WeakPolarHBondContact CA-O 3.41Å; I196-V222 HydrophobicContact CG1-CB 4.35Å; A197-V222 PolarHBondContact N-O 2.92Å; V220-V222 HydrophobicContact CG1-CG2 4.16Å; V222-N224 PolarHBondContact O-N 3.21Å; V222-S263 CarbonylContact C-O 3.41Å; V222-S263 WeakPolarHBondContact CA-O 3.31Å; V222-I265 HydrophobicContact CG1-CD1 3.24Å; V222-I265 HydrophobicContact CG1-CG1 3.53Å; V222-I265 HydrophobicContact CG1-CG2 4.32Å; V222-L276 HydrophobicContact CG1-CD2 4.36Å; V222-L276 HydrophobicContact CG2-CD1 4.06Å; V222-L276 HydrophobicContact CG2-CD2 4.04Å; V222-L304 HydrophobicContact CG1-CD2 4.05Å
223	G	96.2	Very high	85.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	107.4	172.5	0	0	0	0	0	110.3	A197 L244 S263 I264 I265	A197-G223 CarbonylContact O-C 3.46Å; A197-G223 WeakPolarHBondContact O-CA 3.14Å; G223-L244 VanDerWaalsContact N-CD2 3.31Å; G223-S263 PolarHBondContact N-O 3.1Å; G223-I264 CarbonylContact O-C 3.58Å; G223-I264 WeakPolarHBondContact O-CA 3.45Å; G223-I265 PolarHBondContact O-N 3.29Å
224	N	93.3	Very high	84.5	Confident	6 Å²	6	27.1 Å²	27.1	3%	0.032	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	161.9	-179.9	-171.3	34.9	0	0	0	112.6	I196 A197 V199 V222 I265 A267 V299	I196-N224 HydrophobicContact CG2-CB 4.1Å; A197-N224 PolarHBondContact O-N 3.49Å; V199-N224 WeakPolarHBondContact CG2-O 3.45Å; V199-N224 PolarHBondContact N-O 3.04Å; V199-N224 VanDerWaalsContact N-O 3.15Å; V222-N224 PolarHBondContact O-N 3.21Å; N224-I265 CarbonylContact C-O 3.53Å; N224-I265 WeakPolarHBondContact CA-O 3.31Å; N224-I265 HydrophobicContact CB-CD1 4.35Å; N224-I265 HydrophobicContact CB-CG1 4.1Å; N224-A267 PolarHBondContact OD1-N 2.98Å; N224-V299 PolarHBondContact ND2-O 3.23Å
225	K	88.5	Confident	84.1	Confident	39 Å²	39	32.2 Å²	32.2	17%	0.17	19%	0.193	C	C	.	.			trans	74.7	30.2	-173.4	-46.5	-175.6	-165.2	168.7	0	114.9	D198 D227 Q228 I265 N298	D198-K225 WeakPolarHBondContact OD2-CD 3.44Å; D198-K225 WeakPolarHBondContact OD2-CE 3.46Å; D198-K225 IonicContact OD2-NZ 3.67Å; D198-K225 PolarHBondContact OD2-NZ 3.36Å; K225-D227 WeakPolarHBondContact CA-OD1 3.44Å; K225-D227 PolarHBondContact O-N 2.91Å; K225-Q228 HydrophobicContact CB-CG 4.32Å; K225-Q228 WeakPolarHBondContact O-CB 3.17Å; K225-Q228 PolarHBondContact O-N 3.11Å; K225-I265 PolarHBondContact N-O 2.88Å; K225-N298 VanDerWaalsContact CE-O 3.22Å; K225-N298 WeakPolarHBondContact CE-O 3.22Å; K225-N298 PolarHBondContact NZ-O 2.92Å
226	A	87.5	Confident	84	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.008	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-56.2	-21.6	174.3	0	0	0	0	0	114.1	Q228 L229 I264 I265 Y271 L380	A226-Q228 PolarHBondContact O-N 3.01Å; A226-L229 PolarHBondContact O-N 3.19Å; A226-I264 HydrophobicContact CB-CG2 3.66Å; A226-I265 WeakPolarHBondContact CB-O 3.21Å; A226-I265 PolarHBondContact N-O 3.07Å; A226-Y271 HydrophobicContact CB-CD1 4.16Å; A226-Y271 HydrophobicContact CB-CE1 4.45Å; A226-L380 HydrophobicContact CB-CD1 4.36Å
227	D	81.3	Confident	84	Confident	18 Å²	18	28.3 Å²	28.3	10%	0.096	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-61	-22.8	172.4	51	-73.7	0	0	0	114.1	K225 S266 T269 V527	K225-D227 WeakPolarHBondContact CA-OD1 3.44Å; K225-D227 PolarHBondContact O-N 2.91Å; D227-S266 VanDerWaalsContact CG-OG 3.28Å; D227-S266 WeakPolarHBondContact OD1-CB 3.36Å; D227-S266 PolarHBondContact OD1-OG 3.46Å; D227-T269 HydrophobicContact CB-CG2 3.89Å; D227-V527 WeakPolarHBondContact O-CG2 3.42Å
228	Q	82.9	Confident	84	Confident	26 Å²	26	33.5 Å²	33.5	12%	0.121	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-85.1	-10.9	178	-59.3	-174.8	-7.2	0	0	112.8	K225 A226 L528	K225-Q228 HydrophobicContact CB-CG 4.32Å; K225-Q228 WeakPolarHBondContact O-CB 3.17Å; K225-Q228 PolarHBondContact O-N 3.11Å; A226-Q228 PolarHBondContact O-N 3.01Å; Q228-L528 WeakPolarHBondContact O-CB 3.37Å; Q228-L528 WeakPolarHBondContact O-CG 3.34Å; Q228-L528 PolarHBondContact O-N 3.49Å
229	L	82.4	Confident	83.8	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.026	18%	0.179	C	C	.	.	S	Bend	trans	-91	132.8	-168.7	-57	-178.5	0	0	0	112.6	V199 A226 G231 F236 W240 W643	V199-L229 HydrophobicContact CB-CD1 4.09Å; V199-L229 HydrophobicContact CG2-CD1 3.91Å; A226-L229 PolarHBondContact O-N 3.19Å; L229-G231 PolarHBondContact O-N 3.19Å; L229-F236 HydrophobicContact CB-CE2 4.2Å; L229-F236 HydrophobicContact CB-CZ 3.69Å; L229-F236 HydrophobicContact CD1-CZ 4.25Å; L229-W240 HydrophobicContact CB-CZ2 4.49Å; L229-W240 HydrophobicContact CD1-CD2 3.75Å; L229-W240 HydrophobicContact CD1-CE3 3.99Å; L229-W240 HydrophobicContact CD1-CG 4.17Å; L229-W240 HydrophobicContact CD1-CH2 4.34Å; L229-W240 HydrophobicContact CD1-CZ2 4.13Å; L229-W240 HydrophobicContact CD1-CZ3 4.26Å; L229-W240 HydrophobicContact CD2-CH2 3.57Å; L229-W240 HydrophobicContact CD2-CZ2 3.78Å; L229-W240 HydrophobicContact CD2-CZ3 3.96Å; L229-W240 HydrophobicContact CG-CZ2 4.36Å; L229-W643 HydrophobicContact CD2-CH2 4.37Å
230	P	73.9	Confident	83.7	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.013	18%	0.179	C	C	.	.			trans	-80.3	118.5	178.8	23.3	-20.7	0	0	0	111.9	D232 F236 F377 V527 L528 F563 I710	P230-D232 PolarHBondContact O-N 3.32Å; P230-F236 WeakPolarHBondContact O-CE2 3.28Å; P230-F377 HydrophobicContact CB-CD1 3.98Å; P230-F377 HydrophobicContact CB-CE1 3.98Å; P230-V527 HydrophobicContact CB-CG1 3.81Å; P230-L528 WeakPolarHBondContact CB-O 3.4Å; P230-L528 HydrophobicContact CG-CB 4.48Å; P230-L528 VanDerWaalsContact CG-O 3.25Å; P230-L528 WeakPolarHBondContact CG-O 3.46Å; P230-F563 HydrophobicContact CG-CD1 4.08Å; P230-F563 HydrophobicContact CG-CE1 3.96Å; P230-I710 HydrophobicContact CB-CD1 4.43Å; P230-I710 HydrophobicContact CG-CD1 3.54Å; P230-I710 WeakPolarHBondContact O-CD1 3.36Å
231	G	68.8	Low	83.6	Confident	20 Å²	20	34.5 Å²	34.5	21%	0.206	19%	0.186	C	C	.	.			trans	-72.6	104.3	-177.3	0	0	0	0	0	114	L229 F377	L229-G231 PolarHBondContact O-N 3.19Å; G231-F377 WeakPolarHBondContact O-CA 3.19Å; G231-F377 WeakPolarHBondContact O-CD1 3.5Å
232	D	66.4	Low	83.5	Confident	28 Å²	28	37.5 Å²	37.5	15%	0.15	21%	0.207	C	C	.	.			trans	-86.3	-40	-170.9	-176.1	47.7	0	0	0	115.1	P230 R239 I710	P230-D232 PolarHBondContact O-N 3.32Å; D232-R239 IonicContact OD2-CZ 2.67Å; D232-R239 IonicContact OD2-NH1 3.75Å; D232-R239 IonicContact OD2-NH2 3.6Å; D232-R239 PolarHBondContact OD2-NH2 3.47Å; D232-I710 HydrophobicContact CB-CG2 3.86Å
233	G	68.5	Low	83.3	Confident	44 Å²	44	38 Å²	38	45%	0.454	21%	0.211	S	C	.	.	S	Bend	trans	-175.7	-169.4	-175.1	0	0	0	0	0	113.9	H235 F236	G233-H235 PolarHBondContact O-N 3.36Å; G233-F236 WeakPolarHBondContact O-CB 3.31Å; G233-F236 PolarHBondContact O-N 2.9Å
234	S	71	Confident	83.2	Confident	105 Å²	105	38 Å²	38	73%	0.734	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-52.2	-177.3	47	0	0	0	0	113.3	F236	S234-F236 PolarHBondContact O-N 3.12Å; S234-F236 VanDerWaalsContact O-N 3.15Å
235	H	76.7	Confident	83.4	Confident	108 Å²	108	38.9 Å²	38.9	50%	0.5	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	7.8	-176.9	-57.7	-70.7	0	0	0	114.1	G233 R237 E238 R239	G233-H235 PolarHBondContact O-N 3.36Å; H235-R237 PolarHBondContact O-N 3.49Å; H235-E238 IonicContact CE1-OE2 3.25Å; H235-E238 IonicContact CG-OE2 2.72Å; H235-E238 IonicContact ND1-OE2 3.46Å; H235-E238 PolarHBondContact ND1-OE2 3.24Å; H235-E238 PolarHBondContact O-N 2.99Å; H235-R239 WeakPolarHBondContact O-CG 3.44Å; H235-R239 PolarHBondContact O-N 3.48Å
236	F	80.7	Confident	83.7	Confident	18 Å²	18	41 Å²	41	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-50.8	-52.1	-179.3	167.8	-93.7	0	0	0	112	L229 P230 G233 S234 E238 R239 W240	L229-F236 HydrophobicContact CB-CE2 4.2Å; L229-F236 HydrophobicContact CB-CZ 3.69Å; L229-F236 HydrophobicContact CD1-CZ 4.25Å; P230-F236 WeakPolarHBondContact O-CE2 3.28Å; G233-F236 WeakPolarHBondContact O-CB 3.31Å; G233-F236 PolarHBondContact O-N 2.9Å; S234-F236 PolarHBondContact O-N 3.12Å; S234-F236 VanDerWaalsContact O-N 3.15Å; F236-E238 VanDerWaalsContact C-N 3.34Å; F236-E238 PolarHBondContact O-N 3.16Å; F236-R239 PolarHBondContact O-N 2.94Å; F236-W240 AromaticContact CD2-CD1 3.7Å; F236-W240 AromaticContact CD2-NE1 3.44Å; F236-W240 AromaticContact CE1-CD1 3.93Å; F236-W240 AromaticContact CE2-CD1 3.51Å; F236-W240 AromaticContact CE2-NE1 3.03Å; F236-W240 AromaticContact CZ-CD1 3.63Å; F236-W240 AromaticContact CZ-NE1 3.5Å; F236-W240 PolarHBondContact O-N 3.03Å
237	R	82.8	Confident	84	Confident	105 Å²	105	41.4 Å²	41.4	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-40.4	-177.5	-176.5	-179.8	174.4	-140.6	-2.7	112.1	H235 W240 C241	H235-R237 PolarHBondContact O-N 3.49Å; R237-W240 PolarHBondContact O-N 3Å; R237-C241 PolarHBondContact O-N 3.4Å; R237-C241 PolarHBondContact O-SG 3.23Å; R237-C241 VanDerWaalsContact O-SG 3.33Å
238	E	88.3	Confident	84.7	Confident	117 Å²	117	40.5 Å²	40.5	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-47.9	179.5	-70.3	160.5	-175.9	0	0	110.7	H235 F236 W240 C241 S242	H235-E238 IonicContact CE1-OE2 3.25Å; H235-E238 IonicContact CG-OE2 2.72Å; H235-E238 IonicContact ND1-OE2 3.46Å; H235-E238 PolarHBondContact ND1-OE2 3.24Å; H235-E238 PolarHBondContact O-N 2.99Å; F236-E238 VanDerWaalsContact C-N 3.34Å; F236-E238 PolarHBondContact O-N 3.16Å; E238-W240 VanDerWaalsContact C-N 3.34Å; E238-W240 PolarHBondContact O-N 2.74Å; E238-C241 WeakPolarHBondContact O-CB 3.26Å; E238-C241 PolarHBondContact O-N 3.21Å; E238-C241 VanDerWaalsContact O-N 3.11Å; E238-S242 PolarHBondContact O-N 3.15Å; E238-S242 PolarHBondContact O-OG 3.42Å
239	R	88.1	Confident	85.2	Confident	58 Å²	58	42.4 Å²	42.4	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-41.9	176.9	-63.7	-164.9	-52	-115.7	10.7	112.9	D232 H235 F236 S242 A243 L709	D232-R239 IonicContact OD2-CZ 2.67Å; D232-R239 IonicContact OD2-NH1 3.75Å; D232-R239 IonicContact OD2-NH2 3.6Å; D232-R239 PolarHBondContact OD2-NH2 3.47Å; H235-R239 WeakPolarHBondContact O-CG 3.44Å; H235-R239 PolarHBondContact O-N 3.48Å; F236-R239 PolarHBondContact O-N 2.94Å; R239-S242 PolarHBondContact O-N 3.25Å; R239-A243 WeakPolarHBondContact O-CB 3.41Å; R239-A243 PolarHBondContact O-N 3.11Å; R239-L709 PolarHBondContact NE-O 2.92Å; R239-L709 PolarHBondContact NH2-O 2.99Å
240	W	90.8	Very high	85.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.4	-33.5	176.2	-71.6	105.3	0	0	0	113.1	V199 L229 F236 R237 E238 L244 I264 W643 L709 I710	V199-W240 HydrophobicContact CB-CE3 4.02Å; V199-W240 HydrophobicContact CB-CZ3 4.17Å; V199-W240 HydrophobicContact CG1-CE3 3.65Å; V199-W240 HydrophobicContact CG1-CZ3 4.23Å; V199-W240 WeakPolarHBondContact O-CZ3 3.29Å; L229-W240 HydrophobicContact CB-CZ2 4.49Å; L229-W240 HydrophobicContact CD1-CD2 3.75Å; L229-W240 HydrophobicContact CD1-CE3 3.99Å; L229-W240 HydrophobicContact CD1-CG 4.17Å; L229-W240 HydrophobicContact CD1-CH2 4.34Å; L229-W240 HydrophobicContact CD1-CZ2 4.13Å; L229-W240 HydrophobicContact CD1-CZ3 4.26Å; L229-W240 HydrophobicContact CD2-CH2 3.57Å; L229-W240 HydrophobicContact CD2-CZ2 3.78Å; L229-W240 HydrophobicContact CD2-CZ3 3.96Å; L229-W240 HydrophobicContact CG-CZ2 4.36Å; F236-W240 AromaticContact CD2-CD1 3.7Å; F236-W240 AromaticContact CD2-NE1 3.44Å; F236-W240 AromaticContact CE1-CD1 3.93Å; F236-W240 AromaticContact CE2-CD1 3.51Å; F236-W240 AromaticContact CE2-NE1 3.03Å; F236-W240 AromaticContact CZ-CD1 3.63Å; F236-W240 AromaticContact CZ-NE1 3.5Å; F236-W240 PolarHBondContact O-N 3.03Å; R237-W240 PolarHBondContact O-N 3Å; E238-W240 VanDerWaalsContact C-N 3.34Å; E238-W240 PolarHBondContact O-N 2.74Å; W240-L244 WeakPolarHBondContact O-CB 3.46Å; W240-L244 PolarHBondContact O-N 3.49Å; W240-L244 VanDerWaalsContact O-N 3.07Å; W240-I264 HydrophobicContact CB-CD1 4.23Å; W240-I264 HydrophobicContact CB-CG1 4.13Å; W240-W643 AromaticContact CH2-CH2 3.8Å; W240-W643 HydrophobicContact CH2-CH2 3.8Å; W240-W643 AromaticContact CH2-CZ2 3.92Å; W240-W643 HydrophobicContact CH2-CZ2 3.92Å; W240-W643 HydrophobicContact CZ2-CH2 4.42Å; W240-W643 HydrophobicContact CZ2-CZ2 4.34Å; W240-L709 HydrophobicContact CD2-CD1 4.17Å; W240-L709 HydrophobicContact CE3-CD1 3.56Å; W240-L709 HydrophobicContact CH2-CB 4.16Å; W240-L709 HydrophobicContact CH2-CD1 3.48Å; W240-L709 VanDerWaalsContact CH2-CD1 3.48Å; W240-L709 HydrophobicContact CH2-CG 4.46Å; W240-L709 HydrophobicContact CZ2-CB 3.97Å; W240-L709 HydrophobicContact CZ2-CD1 4.08Å; W240-L709 HydrophobicContact CZ3-CD1 3.2Å; W240-L709 HydrophobicContact CZ3-CG 4.49Å; W240-I710 HydrophobicContact CZ2-CD1 4.34Å; W240-I710 HydrophobicContact CZ2-CG1 4.48Å
241	C	93.6	Very high	86.7	Confident	23 Å²	23	47.2 Å²	47.2	16%	0.155	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-46.7	170.9	-72.2	0	0	0	0	111.6	R237 E238 A243 L244 L245 I262	R237-C241 PolarHBondContact O-N 3.4Å; R237-C241 PolarHBondContact O-SG 3.23Å; R237-C241 VanDerWaalsContact O-SG 3.33Å; E238-C241 WeakPolarHBondContact O-CB 3.26Å; E238-C241 PolarHBondContact O-N 3.21Å; E238-C241 VanDerWaalsContact O-N 3.11Å; C241-A243 PolarHBondContact O-N 3.33Å; C241-L244 PolarHBondContact O-N 2.89Å; C241-L245 WeakPolarHBondContact O-CB 3.3Å; C241-L245 PolarHBondContact O-N 2.82Å; C241-I262 HydrophobicContact CB-CG2 4.02Å
242	S	93.6	Very high	87.8	Confident	64 Å²	64	46.2 Å²	46.2	45%	0.448	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-42	176.5	-60.5	0	0	0	0	111.9	E238 R239 L244 L245 E246	E238-S242 PolarHBondContact O-N 3.15Å; E238-S242 PolarHBondContact O-OG 3.42Å; R239-S242 PolarHBondContact O-N 3.25Å; S242-L244 VanDerWaalsContact C-N 3.34Å; S242-L244 PolarHBondContact O-N 2.94Å; S242-L245 WeakPolarHBondContact O-CB 3.01Å; S242-L245 PolarHBondContact O-N 2.87Å; S242-E246 WeakPolarHBondContact O-CB 3.49Å; S242-E246 WeakPolarHBondContact O-CG 3.44Å; S242-E246 PolarHBondContact O-N 3.05Å
243	A	93.3	Very high	89.1	Confident	10 Å²	10	49.8 Å²	49.8	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-37.6	176.5	0	0	0	0	0	112.9	R239 C241 A247 L709	R239-A243 WeakPolarHBondContact O-CB 3.41Å; R239-A243 PolarHBondContact O-N 3.11Å; C241-A243 PolarHBondContact O-N 3.33Å; A243-A247 WeakPolarHBondContact O-CB 3.42Å; A243-A247 PolarHBondContact O-N 2.88Å; A243-L709 HydrophobicContact CB-CD1 4.01Å; A243-L709 HydrophobicContact CB-CD2 3.52Å; A243-L709 HydrophobicContact CB-CG 4.46Å
244	L	95.6	Very high	90.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-37.3	174.3	179.5	60.2	0	0	0	111.8	A197 L202 L221 G223 W240 C241 S242 A248 I262 I264	A197-L244 HydrophobicContact CB-CD1 3.94Å; L202-L244 HydrophobicContact CD1-CB 4.16Å; L202-L244 HydrophobicContact CD1-CD1 4.12Å; L202-L244 HydrophobicContact CD2-CD1 3.81Å; L221-L244 HydrophobicContact CB-CD2 4Å; L221-L244 HydrophobicContact CB-CG 4.19Å; L221-L244 HydrophobicContact CD1-CG 4.37Å; G223-L244 VanDerWaalsContact N-CD2 3.31Å; W240-L244 WeakPolarHBondContact O-CB 3.46Å; W240-L244 PolarHBondContact O-N 3.49Å; W240-L244 VanDerWaalsContact O-N 3.07Å; C241-L244 PolarHBondContact O-N 2.89Å; S242-L244 VanDerWaalsContact C-N 3.34Å; S242-L244 PolarHBondContact O-N 2.94Å; L244-A248 WeakPolarHBondContact O-CB 3.49Å; L244-A248 PolarHBondContact O-N 3.31Å; L244-I262 HydrophobicContact CD2-CG2 3.94Å; L244-I264 HydrophobicContact CD2-CD1 3.93Å
245	L	96.1	Very high	91.3	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.131	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-53.6	174.4	-178.7	57.7	0	0	0	111.8	C241 S242 A247 A248 I249 E256 I259 I262	C241-L245 WeakPolarHBondContact O-CB 3.3Å; C241-L245 PolarHBondContact O-N 2.82Å; S242-L245 WeakPolarHBondContact O-CB 3.01Å; S242-L245 PolarHBondContact O-N 2.87Å; L245-A247 PolarHBondContact O-N 3.1Å; L245-A248 PolarHBondContact O-N 2.83Å; L245-A248 VanDerWaalsContact O-N 3.1Å; L245-I249 HydrophobicContact CD1-CD1 3.75Å; L245-I249 HydrophobicContact CD1-CG1 4.17Å; L245-I249 HydrophobicContact CG-CD1 3.82Å; L245-I249 WeakPolarHBondContact O-CG1 3.12Å; L245-I249 PolarHBondContact O-N 2.86Å; L245-E256 HydrophobicContact CD1-CG 4.3Å; L245-E256 HydrophobicContact CD2-CG 4.45Å; L245-I259 HydrophobicContact CD1-CD1 3.46Å; L245-I259 VanDerWaalsContact CD1-CD1 3.46Å; L245-I262 HydrophobicContact CB-CD1 3.94Å; L245-I262 HydrophobicContact CD1-CD1 4.1Å; L245-I262 HydrophobicContact CD2-CD1 4.2Å; L245-I262 HydrophobicContact CG-CD1 4.3Å
246	E	95	Very high	92.1	Very high	84 Å²	84	45.2 Å²	45.2	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-40.8	176.2	-73.8	-177.1	163.3	0	0	110.9	S242 S250 K707	S242-E246 WeakPolarHBondContact O-CB 3.49Å; S242-E246 WeakPolarHBondContact O-CG 3.44Å; S242-E246 PolarHBondContact O-N 3.05Å; E246-S250 VanDerWaalsContact O-CB 3.24Å; E246-S250 WeakPolarHBondContact O-CB 3.47Å; E246-S250 PolarHBondContact O-N 3.41Å; E246-S250 PolarHBondContact O-OG 2.78Å; E246-K707 IonicContact OE1-NZ 2.6Å; E246-K707 PolarHBondContact OE1-NZ 2.92Å
247	A	94.4	Very high	92.6	Very high	8 Å²	8	52.3 Å²	52.3	7%	0.066	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-39.8	176.4	0	0	0	0	0	113.3	L202 P203 L206 A243 L245 S250 R251	L202-A247 HydrophobicContact CB-CB 4.47Å; L202-A247 HydrophobicContact CD2-CB 4.02Å; P203-A247 HydrophobicContact CB-CB 3.94Å; L206-A247 HydrophobicContact CD1-CB 3.64Å; A243-A247 WeakPolarHBondContact O-CB 3.42Å; A243-A247 PolarHBondContact O-N 2.88Å; L245-A247 PolarHBondContact O-N 3.1Å; A247-S250 WeakPolarHBondContact CA-OG 3.16Å; A247-S250 PolarHBondContact O-OG 3.22Å; A247-R251 VanDerWaalsContact O-CB 3.31Å; A247-R251 WeakPolarHBondContact O-CB 3.35Å; A247-R251 PolarHBondContact O-N 3.46Å
248	A	95.1	Very high	93	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-40.7	177.6	0	0	0	0	0	112.7	L206 L221 L244 L245 S252 K253 I254	L206-A248 HydrophobicContact CD1-CB 4.4Å; L221-A248 HydrophobicContact CD1-CB 3.5Å; L221-A248 VanDerWaalsContact CD1-CB 3.5Å; L221-A248 HydrophobicContact CD2-CB 4.02Å; L221-A248 HydrophobicContact CG-CB 4.43Å; L244-A248 WeakPolarHBondContact O-CB 3.49Å; L244-A248 PolarHBondContact O-N 3.31Å; L245-A248 PolarHBondContact O-N 2.83Å; L245-A248 VanDerWaalsContact O-N 3.1Å; A248-S252 CarbonylContact O-C 3.52Å; A248-S252 WeakPolarHBondContact O-CA 3.48Å; A248-S252 VanDerWaalsContact O-CB 3.31Å; A248-S252 WeakPolarHBondContact O-CB 3.39Å; A248-S252 PolarHBondContact O-N 3.4Å; A248-K253 PolarHBondContact O-N 3.3Å; A248-K253 VanDerWaalsContact O-N 3.11Å; A248-I254 PolarHBondContact O-N 3.38Å
249	I	95.2	Very high	93.2	Very high	65 Å²	65	44.4 Å²	44.4	33%	0.333	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-50.8	175.4	-64.1	164.6	0	0	0	110	L245 K253 I254 E256	L245-I249 HydrophobicContact CD1-CD1 3.75Å; L245-I249 HydrophobicContact CD1-CG1 4.17Å; L245-I249 HydrophobicContact CG-CD1 3.82Å; L245-I249 WeakPolarHBondContact O-CG1 3.12Å; L245-I249 PolarHBondContact O-N 2.86Å; I249-K253 VanDerWaalsContact O-CA 3.29Å; I249-K253 WeakPolarHBondContact O-CA 3.36Å; I249-K253 PolarHBondContact O-N 3.26Å; I249-I254 WeakPolarHBondContact CG1-O 3.38Å; I249-E256 HydrophobicContact CD1-CB 4.39Å
250	S	93.5	Very high	93.4	Very high	69 Å²	69	45.1 Å²	45.1	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-67.4	-44.1	-174.6	56.4	0	0	0	0	113.5	E246 A247 K253	E246-S250 VanDerWaalsContact O-CB 3.24Å; E246-S250 WeakPolarHBondContact O-CB 3.47Å; E246-S250 PolarHBondContact O-N 3.41Å; E246-S250 PolarHBondContact O-OG 2.78Å; A247-S250 WeakPolarHBondContact CA-OG 3.16Å; A247-S250 PolarHBondContact O-OG 3.22Å; S250-K253 WeakPolarHBondContact O-CE 3.31Å; S250-K253 PolarHBondContact O-NZ 3.01Å
251	R	92.8	Very high	93.6	Very high	39 Å²	39	47.8 Å²	47.8	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-99	-47.5	-172.7	-175	173	169.7	86.5	-1.2	114	P203 L206 P208 E209 A247 K253 D492	P203-R251 HydrophobicContact CB-CB 4.49Å; P203-R251 WeakPolarHBondContact O-CD 3.33Å; P203-R251 PolarHBondContact O-NE 3.41Å; L206-R251 PolarHBondContact O-NE 3Å; L206-R251 PolarHBondContact O-NH2 2.85Å; P208-R251 WeakPolarHBondContact CA-O 3.31Å; E209-R251 PolarHBondContact N-O 3.15Å; A247-R251 VanDerWaalsContact O-CB 3.31Å; A247-R251 WeakPolarHBondContact O-CB 3.35Å; A247-R251 PolarHBondContact O-N 3.46Å; R251-K253 VanDerWaalsContact C-N 3.34Å; R251-D492 IonicContact CZ-OD2 3.63Å; R251-D492 IonicContact NH1-OD2 2.75Å; R251-D492 PolarHBondContact NH1-OD2 3.37Å; R251-D492 IonicContact NH2-OD2 2.74Å; R251-D492 PolarHBondContact NH2-OD2 3.36Å
252	S	91.9	Very high	93.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-86.2	-6.1	-179.6	-58.5	0	0	0	0	113.6	I207 E209 L210 H211 A248 I254	I207-S252 WeakPolarHBondContact O-CA 3.38Å; I207-S252 WeakPolarHBondContact O-CB 3.44Å; I207-S252 PolarHBondContact O-OG 3.41Å; E209-S252 CarbonylContact C-O 3.56Å; L210-S252 PolarHBondContact N-O 3.46Å; H211-S252 WeakPolarHBondContact CB-O 3.47Å; H211-S252 PolarHBondContact N-O 2.86Å; A248-S252 CarbonylContact O-C 3.52Å; A248-S252 WeakPolarHBondContact O-CA 3.48Å; A248-S252 VanDerWaalsContact O-CB 3.31Å; A248-S252 WeakPolarHBondContact O-CB 3.39Å; A248-S252 PolarHBondContact O-N 3.4Å; S252-I254 PolarHBondContact O-N 3.47Å
253	K	93.9	Very high	93.7	Very high	103 Å²	103	45.3 Å²	45.3	45%	0.448	23%	0.227	S	C	.	.			trans	57.8	23.7	-178.5	-53.2	-55.2	-172.4	-167.1	0	114.1	E209 H211 A248 I249 S250 R251 P255	E209-K253 HydrophobicContact CG-CG 4.17Å; H211-K253 HydrophobicContact CB-CB 4.49Å; H211-K253 VanDerWaalsContact CB-O 3.22Å; H211-K253 WeakPolarHBondContact CB-O 3.2Å; H211-K253 PolarHBondContact CD2-O 3.09Å; A248-K253 PolarHBondContact O-N 3.3Å; A248-K253 VanDerWaalsContact O-N 3.11Å; I249-K253 VanDerWaalsContact O-CA 3.29Å; I249-K253 WeakPolarHBondContact O-CA 3.36Å; I249-K253 PolarHBondContact O-N 3.26Å; S250-K253 WeakPolarHBondContact O-CE 3.31Å; S250-K253 PolarHBondContact O-NZ 3.01Å; R251-K253 VanDerWaalsContact C-N 3.34Å; K253-P255 WeakPolarHBondContact O-CD 3.23Å
254	I	93.3	Very high	93.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.224	C	C	.	.			trans	-76.5	119.6	178.4	-57.9	167	0	0	0	108.1	V195 H211 Y219 L221 A248 I249 S252 I259	V195-I254 HydrophobicContact CG2-CD1 4.23Å; H211-I254 HydrophobicContact CB-CB 4.38Å; H211-I254 HydrophobicContact CB-CG1 3.91Å; Y219-I254 HydrophobicContact CD1-CD1 3.85Å; Y219-I254 HydrophobicContact CD1-CG1 4.37Å; Y219-I254 HydrophobicContact CD1-CG2 4.45Å; Y219-I254 HydrophobicContact CD2-CG2 3.6Å; Y219-I254 HydrophobicContact CE1-CD1 4.07Å; Y219-I254 HydrophobicContact CE1-CG1 4.26Å; Y219-I254 HydrophobicContact CE2-CG2 4.04Å; Y219-I254 HydrophobicContact CG-CD1 4.24Å; Y219-I254 HydrophobicContact CG-CG2 3.84Å; L221-I254 HydrophobicContact CD2-CD1 4.26Å; A248-I254 PolarHBondContact O-N 3.38Å; I249-I254 WeakPolarHBondContact CG1-O 3.38Å; S252-I254 PolarHBondContact O-N 3.47Å; I254-I259 HydrophobicContact CB-CD1 4.46Å; I254-I259 HydrophobicContact CG2-CD1 3.85Å; I254-I259 HydrophobicContact CG2-CG1 3.62Å
255	P	93.4	Very high	93.4	Very high	33 Å²	33	45 Å²	45	21%	0.214	22%	0.224	C	C	.	.			trans	-71.4	148.1	176.4	31.7	-35.7	0	0	0	110.4	H211 K253 E257 N258	H211-P255 VanDerWaalsContact CD2-CD 3.45Å; H211-P255 WeakPolarHBondContact CD2-CD 3.47Å; H211-P255 WeakPolarHBondContact NE2-CD 3.5Å; K253-P255 WeakPolarHBondContact O-CD 3.23Å; P255-E257 HydrophobicContact CB-CG 4.18Å; P255-E257 HydrophobicContact CG-CG 4.3Å; P255-E257 PolarHBondContact O-N 3.45Å; P255-N258 HydrophobicContact CG-CB 4.12Å; P255-N258 PolarHBondContact O-N 3.27Å; P255-N258 VanDerWaalsContact O-N 3.14Å
256	E	92.6	Very high	92.9	Very high	126 Å²	126	43.8 Å²	43.8	59%	0.589	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-60.1	-34.4	-175.6	-172.5	168.9	-176.2	0	0	112.7	L245 I249 N258 I259	L245-E256 HydrophobicContact CD1-CG 4.3Å; L245-E256 HydrophobicContact CD2-CG 4.45Å; I249-E256 HydrophobicContact CD1-CB 4.39Å; E256-N258 VanDerWaalsContact C-N 3.26Å; E256-N258 PolarHBondContact O-N 3.41Å; E256-I259 PolarHBondContact O-N 3.07Å
257	E	91.7	Very high	92.3	Very high	168 Å²	168	40 Å²	40	79%	0.785	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-62.2	-27.1	178.4	71.5	-158.3	152.8	0	0	114.1	P255	P255-E257 HydrophobicContact CB-CG 4.18Å; P255-E257 HydrophobicContact CG-CG 4.3Å; P255-E257 PolarHBondContact O-N 3.45Å
258	N	91.5	Very high	91.3	Very high	34 Å²	34	44.2 Å²	44.2	18%	0.182	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-87.1	-3.3	176.5	-73.9	59.5	0	0	0	113.1	K217 Y219 P255 E256	K217-N258 PolarHBondContact O-ND2 3.28Å; Y219-N258 HydrophobicContact CD2-CB 3.87Å; Y219-N258 HydrophobicContact CE2-CB 4.25Å; Y219-N258 PolarHBondContact N-O 3.17Å; P255-N258 HydrophobicContact CG-CB 4.12Å; P255-N258 PolarHBondContact O-N 3.27Å; P255-N258 VanDerWaalsContact O-N 3.14Å; E256-N258 VanDerWaalsContact C-N 3.26Å; E256-N258 PolarHBondContact O-N 3.41Å
259	I	93.2	Very high	90.2	Very high	22 Å²	22	45.2 Å²	45.2	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	101.2	-178.2	-62.1	167.4	0	0	0	109.4	L221 L245 I254 E256 I262	L221-I259 HydrophobicContact CD1-CD1 3.76Å; L221-I259 HydrophobicContact CD1-CG1 4.39Å; L221-I259 HydrophobicContact CD1-CG2 4.14Å; L221-I259 HydrophobicContact CG-CD1 4.31Å; L221-I259 HydrophobicContact CG-CG1 4.42Å; L221-I259 HydrophobicContact CG-CG2 3.96Å; L245-I259 HydrophobicContact CD1-CD1 3.46Å; L245-I259 VanDerWaalsContact CD1-CD1 3.46Å; I254-I259 HydrophobicContact CB-CD1 4.46Å; I254-I259 HydrophobicContact CG2-CD1 3.85Å; I254-I259 HydrophobicContact CG2-CG1 3.62Å; E256-I259 PolarHBondContact O-N 3.07Å; I259-I262 HydrophobicContact CG2-CD1 4.28Å; I259-I262 HydrophobicContact CG2-CG1 3.79Å
260	N	91.3	Very high	89.1	Confident	72 Å²	72	42.1 Å²	42.1	39%	0.385	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-24.7	-176.6	-64.5	94.4	0	0	0	113.8	R218 Y219 F279 F285	R218-N260 VanDerWaalsContact CB-OD1 3.32Å; R218-N260 WeakPolarHBondContact CB-OD1 3.3Å; Y219-N260 PolarHBondContact O-N 3.46Å; N260-F279 HydrophobicContact CB-CZ 3.91Å; N260-F285 HydrophobicContact CB-CD2 4.22Å; N260-F285 HydrophobicContact CB-CE2 3.86Å
261	Y	94	Very high	88.6	Confident	56 Å²	56	40.8 Å²	40.8	22%	0.22	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	152.2	-179.7	-172.1	-120.2	0	0	0	112.6	V220 L221 L276 F279	V220-Y261 WeakPolarHBondContact CA-O 3.33Å; V220-Y261 HydrophobicContact CG1-CD1 4.27Å; L221-Y261 PolarHBondContact N-O 3.45Å; Y261-L276 HydrophobicContact CD1-CD1 4.32Å; Y261-L276 HydrophobicContact CE1-CD1 4.38Å; Y261-F279 VanDerWaalsContact CB-CE1 3.49Å; Y261-F279 VanDerWaalsContact CB-CZ 3.45Å; Y261-F279 HydrophobicContact CD1-CB 3.81Å; Y261-F279 AromaticContact CD1-CD1 3.69Å; Y261-F279 HydrophobicContact CD1-CD1 3.69Å; Y261-F279 HydrophobicContact CD1-CD2 4.17Å; Y261-F279 HydrophobicContact CD1-CE1 4.38Å; Y261-F279 AromaticContact CD1-CG 3.58Å; Y261-F279 HydrophobicContact CD1-CG 3.58Å; Y261-F279 AromaticContact CD2-CD2 3.84Å; Y261-F279 HydrophobicContact CD2-CD2 3.84Å; Y261-F279 HydrophobicContact CD2-CE2 4.28Å; Y261-F279 HydrophobicContact CD2-CG 4.09Å; Y261-F279 HydrophobicContact CE1-CB 3.78Å; Y261-F279 HydrophobicContact CE1-CG 4.08Å; Y261-F279 HydrophobicContact CE2-CD2 4.44Å; Y261-F279 HydrophobicContact CG-CB 4.2Å; Y261-F279 AromaticContact CG-CD1 3.82Å; Y261-F279 HydrophobicContact CG-CD1 3.82Å; Y261-F279 AromaticContact CG-CD2 3.69Å; Y261-F279 HydrophobicContact CG-CD2 3.69Å; Y261-F279 HydrophobicContact CG-CE1 4.16Å; Y261-F279 HydrophobicContact CG-CE2 4.04Å; Y261-F279 AromaticContact CG-CG 3.58Å; Y261-F279 HydrophobicContact CG-CG 3.58Å; Y261-F279 HydrophobicContact CG-CZ 4.26Å
262	I	95.3	Very high	88.2	Confident	34 Å²	34	39.1 Å²	39.1	17%	0.174	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.9	177.8	-51.8	178.2	0	0	0	108.3	L221 C241 L244 L245 I259	L221-I262 HydrophobicContact CB-CG1 4.33Å; L221-I262 HydrophobicContact CB-CG2 4.3Å; L221-I262 HydrophobicContact CD1-CG1 4.45Å; L221-I262 WeakPolarHBondContact O-CA 3.19Å; C241-I262 HydrophobicContact CB-CG2 4.02Å; L244-I262 HydrophobicContact CD2-CG2 3.94Å; L245-I262 HydrophobicContact CB-CD1 3.94Å; L245-I262 HydrophobicContact CD1-CD1 4.1Å; L245-I262 HydrophobicContact CD2-CD1 4.2Å; L245-I262 HydrophobicContact CG-CD1 4.3Å; I259-I262 HydrophobicContact CG2-CD1 4.28Å; I259-I262 HydrophobicContact CG2-CG1 3.79Å
263	S	94.2	Very high	87.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.2	177.4	-159	0	0	0	0	112	L221 V222 G223 I265	L221-S263 PolarHBondContact O-N 3.19Å; V222-S263 CarbonylContact C-O 3.41Å; V222-S263 WeakPolarHBondContact CA-O 3.31Å; G223-S263 PolarHBondContact N-O 3.1Å; S263-I265 WeakPolarHBondContact OG-CG2 3.16Å
264	I	93.4	Very high	87.3	Confident	4 Å²	4	35 Å²	35	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.9	170.7	-58.9	-58	0	0	0	107.2	V199 G223 A226 W240 L244	V199-I264 HydrophobicContact CG1-CD1 3.91Å; G223-I264 CarbonylContact O-C 3.58Å; G223-I264 WeakPolarHBondContact O-CA 3.45Å; A226-I264 HydrophobicContact CB-CG2 3.66Å; W240-I264 HydrophobicContact CB-CD1 4.23Å; W240-I264 HydrophobicContact CB-CG1 4.13Å; L244-I264 HydrophobicContact CD2-CD1 3.93Å
265	I	90.6	Very high	87	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.			trans	-130.8	166.3	-168.1	69.7	160.9	0	0	0	112.1	V222 G223 N224 K225 A226 S263 Y271 I273 L304	V222-I265 HydrophobicContact CG1-CD1 3.24Å; V222-I265 HydrophobicContact CG1-CG1 3.53Å; V222-I265 HydrophobicContact CG1-CG2 4.32Å; G223-I265 PolarHBondContact O-N 3.29Å; N224-I265 CarbonylContact C-O 3.53Å; N224-I265 WeakPolarHBondContact CA-O 3.31Å; N224-I265 HydrophobicContact CB-CD1 4.35Å; N224-I265 HydrophobicContact CB-CG1 4.1Å; K225-I265 PolarHBondContact N-O 2.88Å; A226-I265 WeakPolarHBondContact CB-O 3.21Å; A226-I265 PolarHBondContact N-O 3.07Å; S263-I265 WeakPolarHBondContact OG-CG2 3.16Å; I265-Y271 CarbonylContact C-O 3.58Å; I265-Y271 WeakPolarHBondContact CA-O 3.41Å; I265-Y271 WeakPolarHBondContact CB-O 3.47Å; I265-I273 HydrophobicContact CB-CD1 4.13Å; I265-I273 HydrophobicContact CD1-CD1 3.63Å; I265-I273 HydrophobicContact CG1-CD1 4.45Å; I265-I273 HydrophobicContact CG2-CD1 4.42Å; I265-L304 HydrophobicContact CD1-CD1 3.66Å; I265-L304 HydrophobicContact CD1-CD2 3.98Å; I265-L304 HydrophobicContact CD1-CG 4.34Å
266	S	85.7	Confident	86.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.			trans	-130.6	107.5	160.1	167.8	0	0	0	0	108.1	D227 L268 T269 G270 Y271	D227-S266 VanDerWaalsContact CG-OG 3.28Å; D227-S266 WeakPolarHBondContact OD1-CB 3.36Å; D227-S266 PolarHBondContact OD1-OG 3.46Å; S266-L268 PolarHBondContact O-N 3.44Å; S266-T269 WeakPolarHBondContact CB-OG1 3.42Å; S266-T269 PolarHBondContact O-N 3.39Å; S266-T269 PolarHBondContact OG-N 3.33Å; S266-T269 VanDerWaalsContact OG-N 3.14Å; S266-T269 PolarHBondContact OG-OG1 3.5Å; S266-G270 WeakPolarHBondContact O-CA 3.22Å; S266-G270 PolarHBondContact O-N 3.46Å; S266-Y271 PolarHBondContact N-O 2.83Å; S266-Y271 PolarHBondContact O-N 3.38Å
267	A	81.1	Confident	86.5	Confident	4 Å²	4	30.4 Å²	30.4	3%	0.033	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.2	176.4	0	0	0	0	0	112.3	N224 L304 R307	N224-A267 PolarHBondContact OD1-N 2.98Å; A267-L304 HydrophobicContact CB-CB 4.18Å; A267-R307 WeakPolarHBondContact O-CD 3.32Å
268	L	74.5	Confident	86.1	Confident	97 Å²	97	23.6 Å²	23.6	51%	0.508	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-51.8	177.4	-177.6	64.1	0	0	0	111.8	S266 V523	S266-L268 PolarHBondContact O-N 3.44Å; L268-V523 HydrophobicContact CD2-CG1 4.4Å
269	T	71.6	Confident	86	Confident	21 Å²	21	23.6 Å²	23.6	13%	0.129	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-16.4	-174.5	64.6	0	0	0	0	113.9	D227 S266 Y271 R307	D227-T269 HydrophobicContact CB-CG2 3.89Å; S266-T269 WeakPolarHBondContact CB-OG1 3.42Å; S266-T269 PolarHBondContact O-N 3.39Å; S266-T269 PolarHBondContact OG-N 3.33Å; S266-T269 VanDerWaalsContact OG-N 3.14Å; S266-T269 PolarHBondContact OG-OG1 3.5Å; T269-Y271 VanDerWaalsContact C-N 3.33Å; T269-Y271 PolarHBondContact OG1-N 3.12Å; T269-R307 PolarHBondContact O-NH2 2.86Å
270	G	72.4	Confident	85.7	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.01	11%	0.114	C	C	.	.			trans	84.4	-2.5	-171.5	0	0	0	0	0	114.8	S266 G272 I273 P274	S266-G270 WeakPolarHBondContact O-CA 3.22Å; S266-G270 PolarHBondContact O-N 3.46Å; G270-G272 PolarHBondContact O-N 3.05Å; G270-I273 WeakPolarHBondContact O-CB 3.26Å; G270-I273 PolarHBondContact O-N 2.99Å; G270-P274 WeakPolarHBondContact O-CD 3.27Å
271	Y	82.2	Confident	85.2	Confident	41 Å²	41	19.9 Å²	19.9	16%	0.161	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.3	176.3	179.3	-91.6	0	0	0	111.4	A226 I265 S266 T269 I273 L380 K383	A226-Y271 HydrophobicContact CB-CD1 4.16Å; A226-Y271 HydrophobicContact CB-CE1 4.45Å; I265-Y271 CarbonylContact C-O 3.58Å; I265-Y271 WeakPolarHBondContact CA-O 3.41Å; I265-Y271 WeakPolarHBondContact CB-O 3.47Å; S266-Y271 PolarHBondContact N-O 2.83Å; S266-Y271 PolarHBondContact O-N 3.38Å; T269-Y271 VanDerWaalsContact C-N 3.33Å; T269-Y271 PolarHBondContact OG1-N 3.12Å; Y271-I273 PolarHBondContact O-N 2.89Å; Y271-I273 VanDerWaalsContact O-N 3.11Å; Y271-L380 HydrophobicContact CD1-CD1 4.06Å; Y271-L380 HydrophobicContact CD2-CB 4.45Å; Y271-L380 HydrophobicContact CD2-CD1 4.29Å; Y271-L380 HydrophobicContact CD2-CD2 4.29Å; Y271-L380 HydrophobicContact CE1-CD1 4.02Å; Y271-L380 HydrophobicContact CE2-CD1 4.26Å; Y271-L380 HydrophobicContact CE2-CD2 3.78Å; Y271-L380 HydrophobicContact CE2-CG 4.49Å; Y271-L380 HydrophobicContact CG-CD1 4.2Å; Y271-K383 HydrophobicContact CD2-CD 4.47Å
272	G	85.4	Confident	84.6	Confident	4 Å²	4	18.6 Å²	18.6	4%	0.041	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-9.3	178.3	0	0	0	0	0	115.7	G270 E275 L276	G270-G272 PolarHBondContact O-N 3.05Å; G272-E275 WeakPolarHBondContact CA-OE2 3.49Å; G272-L276 PolarHBondContact O-N 3.22Å; G272-L276 VanDerWaalsContact O-N 3.14Å
273	I	84.8	Confident	83.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-45.6	-179.8	-59.4	-66.7	0	0	0	112.3	I265 G270 Y271 E275 L276 I277 L304 R307	I265-I273 HydrophobicContact CB-CD1 4.13Å; I265-I273 HydrophobicContact CD1-CD1 3.63Å; I265-I273 HydrophobicContact CG1-CD1 4.45Å; I265-I273 HydrophobicContact CG2-CD1 4.42Å; G270-I273 WeakPolarHBondContact O-CB 3.26Å; G270-I273 PolarHBondContact O-N 2.99Å; Y271-I273 PolarHBondContact O-N 2.89Å; Y271-I273 VanDerWaalsContact O-N 3.11Å; I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 PolarHBondContact O-N 3.02Å; I273-L276 PolarHBondContact O-N 2.94Å; I273-I277 HydrophobicContact CG2-CD1 3.6Å; I273-I277 HydrophobicContact CG2-CG1 4.35Å; I273-I277 WeakPolarHBondContact O-CD1 3.41Å; I273-I277 WeakPolarHBondContact O-CG1 3.38Å; I273-I277 PolarHBondContact O-N 2.87Å; I273-L304 HydrophobicContact CD1-CD1 3.41Å; I273-L304 VanDerWaalsContact CD1-CD1 3.41Å; I273-R307 HydrophobicContact CD1-CG 4.41Å; I273-R307 HydrophobicContact CG1-CG 4.14Å; I273-R307 HydrophobicContact CG2-CG 4.12Å
274	P	82.1	Confident	82.2	Confident	15 Å²	15	37 Å²	37	10%	0.097	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-43.3	176.7	-25.1	35.4	0	0	0	112.3	G270 L276 I277 D278	G270-P274 WeakPolarHBondContact O-CD 3.27Å; P274-L276 PolarHBondContact O-N 3.42Å; P274-I277 PolarHBondContact O-N 3.05Å; P274-D278 WeakPolarHBondContact O-CB 3.35Å; P274-D278 PolarHBondContact O-N 2.91Å; P274-D278 VanDerWaalsContact O-OD2 3.08Å
275	E	86.6	Confident	81.2	Confident	61 Å²	61	37.3 Å²	37.3	29%	0.285	17%	0.171	S	C	.	.	H	α-helix	trans	-66.1	-34.6	179.3	-64.5	82.4	178.6	0	0	112.8	G272 I273 F279 K383	G272-E275 WeakPolarHBondContact CA-OE2 3.49Å; I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 PolarHBondContact O-N 3.02Å; E275-F279 PolarHBondContact O-N 2.65Å; E275-K383 IonicContact OE1-NZ 2.94Å; E275-K383 PolarHBondContact OE1-NZ 3.37Å; E275-K383 IonicContact OE2-NZ 3.72Å
276	L	90.1	Very high	80	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-47.2	172.5	177.9	61.3	0	0	0	111.4	V220 V222 Y261 G272 I273 P274 D278 F279 L280 L304	V220-L276 HydrophobicContact CG1-CD1 3.99Å; V222-L276 HydrophobicContact CG1-CD2 4.36Å; V222-L276 HydrophobicContact CG2-CD1 4.06Å; V222-L276 HydrophobicContact CG2-CD2 4.04Å; Y261-L276 HydrophobicContact CD1-CD1 4.32Å; Y261-L276 HydrophobicContact CE1-CD1 4.38Å; G272-L276 PolarHBondContact O-N 3.22Å; G272-L276 VanDerWaalsContact O-N 3.14Å; I273-L276 PolarHBondContact O-N 2.94Å; P274-L276 PolarHBondContact O-N 3.42Å; L276-D278 VanDerWaalsContact C-N 3.29Å; L276-D278 PolarHBondContact O-N 2.58Å; L276-F279 WeakPolarHBondContact O-CB 3.4Å; L276-F279 PolarHBondContact O-N 2.98Å; L276-L280 HydrophobicContact CD1-CD1 4.43Å; L276-L280 HydrophobicContact CD1-CG 4.48Å; L276-L280 HydrophobicContact CG-CD1 4.26Å; L276-L280 WeakPolarHBondContact O-CG 3.48Å; L276-L280 PolarHBondContact O-N 2.95Å; L276-L304 HydrophobicContact CD2-CD1 4.42Å
277	I	86	Confident	78.9	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-40	177.4	-65.2	157.6	0	0	0	110.7	I273 P274 F279 L280 L281 L308 S311 L313	I273-I277 HydrophobicContact CG2-CD1 3.6Å; I273-I277 HydrophobicContact CG2-CG1 4.35Å; I273-I277 WeakPolarHBondContact O-CD1 3.41Å; I273-I277 WeakPolarHBondContact O-CG1 3.38Å; I273-I277 PolarHBondContact O-N 2.87Å; P274-I277 PolarHBondContact O-N 3.05Å; I277-F279 VanDerWaalsContact C-N 3.3Å; I277-F279 PolarHBondContact O-N 2.91Å; I277-L280 PolarHBondContact O-N 3.49Å; I277-L281 HydrophobicContact CG2-CD1 3.63Å; I277-L281 HydrophobicContact CG2-CG 4.1Å; I277-L281 VanDerWaalsContact O-CB 3.31Å; I277-L281 WeakPolarHBondContact O-CB 3.35Å; I277-L281 WeakPolarHBondContact O-CG 3.34Å; I277-L281 PolarHBondContact O-N 3.26Å; I277-L308 HydrophobicContact CD1-CD2 4.38Å; I277-L308 HydrophobicContact CG1-CD2 3.9Å; I277-S311 VanDerWaalsContact CD1-CB 3.41Å; I277-S311 WeakPolarHBondContact CD1-OG 3.45Å; I277-L313 HydrophobicContact CG2-CB 4.4Å
278	D	83.3	Confident	78.3	Confident	25 Å²	25	47 Å²	47	13%	0.134	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-38	177.2	-74.9	-36.9	0	0	0	112.9	P274 L276 S282 R353 R357	P274-D278 WeakPolarHBondContact O-CB 3.35Å; P274-D278 PolarHBondContact O-N 2.91Å; P274-D278 VanDerWaalsContact O-OD2 3.08Å; L276-D278 VanDerWaalsContact C-N 3.29Å; L276-D278 PolarHBondContact O-N 2.58Å; D278-S282 WeakPolarHBondContact O-CB 3.48Å; D278-S282 PolarHBondContact O-N 3.03Å; D278-S282 VanDerWaalsContact O-N 3.13Å; D278-R353 VanDerWaalsContact CG-NH2 3.34Å; D278-R353 IonicContact OD1-CZ 3.58Å; D278-R353 VanDerWaalsContact OD1-CZ 3.25Å; D278-R353 IonicContact OD1-NE 2.71Å; D278-R353 PolarHBondContact OD1-NE 3.26Å; D278-R353 IonicContact OD1-NH2 3.16Å; D278-R353 PolarHBondContact OD1-NH2 2.89Å; D278-R353 IonicContact OD2-NH2 3.06Å; D278-R357 IonicContact OD1-CZ 3.24Å; D278-R357 VanDerWaalsContact OD1-CZ 3.28Å; D278-R357 IonicContact OD1-NE 3.39Å; D278-R357 PolarHBondContact OD1-NE 2.83Å; D278-R357 VanDerWaalsContact OD1-NE 3.13Å; D278-R357 IonicContact OD1-NH2 2.67Å; D278-R357 PolarHBondContact OD1-NH2 3.23Å; D278-R357 WeakPolarHBondContact OD2-CD 3.39Å; D278-R357 IonicContact OD2-CZ 2.98Å; D278-R357 VanDerWaalsContact OD2-CZ 3.24Å; D278-R357 IonicContact OD2-NE 3.41Å; D278-R357 PolarHBondContact OD2-NE 3.26Å; D278-R357 IonicContact OD2-NH2 2.67Å; D278-R357 PolarHBondContact OD2-NH2 3.42Å
279	F	88.3	Confident	78.5	Confident	34 Å²	34	44.4 Å²	44.4	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-51.5	172.2	173.3	-96.9	0	0	0	111.4	V220 N260 Y261 E275 L276 I277 L281 S282 F285	V220-F279 HydrophobicContact CG2-CE1 3.81Å; N260-F279 HydrophobicContact CB-CZ 3.91Å; Y261-F279 VanDerWaalsContact CB-CE1 3.49Å; Y261-F279 VanDerWaalsContact CB-CZ 3.45Å; Y261-F279 HydrophobicContact CD1-CB 3.81Å; Y261-F279 AromaticContact CD1-CD1 3.69Å; Y261-F279 HydrophobicContact CD1-CD1 3.69Å; Y261-F279 HydrophobicContact CD1-CD2 4.17Å; Y261-F279 HydrophobicContact CD1-CE1 4.38Å; Y261-F279 AromaticContact CD1-CG 3.58Å; Y261-F279 HydrophobicContact CD1-CG 3.58Å; Y261-F279 AromaticContact CD2-CD2 3.84Å; Y261-F279 HydrophobicContact CD2-CD2 3.84Å; Y261-F279 HydrophobicContact CD2-CE2 4.28Å; Y261-F279 HydrophobicContact CD2-CG 4.09Å; Y261-F279 HydrophobicContact CE1-CB 3.78Å; Y261-F279 HydrophobicContact CE1-CG 4.08Å; Y261-F279 HydrophobicContact CE2-CD2 4.44Å; Y261-F279 HydrophobicContact CG-CB 4.2Å; Y261-F279 AromaticContact CG-CD1 3.82Å; Y261-F279 HydrophobicContact CG-CD1 3.82Å; Y261-F279 AromaticContact CG-CD2 3.69Å; Y261-F279 HydrophobicContact CG-CD2 3.69Å; Y261-F279 HydrophobicContact CG-CE1 4.16Å; Y261-F279 HydrophobicContact CG-CE2 4.04Å; Y261-F279 AromaticContact CG-CG 3.58Å; Y261-F279 HydrophobicContact CG-CG 3.58Å; Y261-F279 HydrophobicContact CG-CZ 4.26Å; E275-F279 PolarHBondContact O-N 2.65Å; L276-F279 WeakPolarHBondContact O-CB 3.4Å; L276-F279 PolarHBondContact O-N 2.98Å; I277-F279 VanDerWaalsContact C-N 3.3Å; I277-F279 PolarHBondContact O-N 2.91Å; F279-L281 VanDerWaalsContact C-N 3.31Å; F279-L281 PolarHBondContact O-N 3.25Å; F279-S282 WeakPolarHBondContact O-CB 3.34Å; F279-S282 PolarHBondContact O-N 3.26Å; F279-S282 PolarHBondContact O-OG 3.14Å; F279-F285 HydrophobicContact CD1-CG 4.35Å; F279-F285 HydrophobicContact CE1-CB 4.14Å; F279-F285 AromaticContact CE1-CD1 3.92Å; F279-F285 HydrophobicContact CE1-CD1 3.92Å; F279-F285 AromaticContact CE1-CD2 3.44Å; F279-F285 HydrophobicContact CE1-CD2 3.44Å; F279-F285 VanDerWaalsContact CE1-CD2 3.44Å; F279-F285 HydrophobicContact CE1-CE1 4.12Å; F279-F285 AromaticContact CE1-CE2 3.67Å; F279-F285 HydrophobicContact CE1-CE2 3.67Å; F279-F285 AromaticContact CE1-CG 3.55Å; F279-F285 HydrophobicContact CE1-CG 3.55Å; F279-F285 AromaticContact CE1-CZ 3.98Å; F279-F285 HydrophobicContact CE1-CZ 3.98Å; F279-F285 HydrophobicContact CE2-CB 4.28Å; F279-F285 HydrophobicContact CE2-CD2 4.26Å; F279-F285 HydrophobicContact CE2-CG 4.43Å; F279-F285 HydrophobicContact CZ-CB 3.91Å; F279-F285 HydrophobicContact CZ-CD1 4.42Å; F279-F285 AromaticContact CZ-CD2 3.22Å; F279-F285 HydrophobicContact CZ-CD2 3.22Å; F279-F285 AromaticContact CZ-CE2 3.74Å; F279-F285 HydrophobicContact CZ-CE2 3.74Å; F279-F285 AromaticContact CZ-CG 3.6Å; F279-F285 HydrophobicContact CZ-CG 3.6Å; F279-F285 HydrophobicContact CZ-CZ 4.5Å; F279-F285 WeakPolarHBondContact O-CB 3.41Å
280	L	86.6	Confident	79.1	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-39.2	-178.3	-65.9	173.7	0	0	0	112.5	I194 L276 I277 F285 I291 L313	I194-L280 HydrophobicContact CD1-CD1 3.99Å; I194-L280 HydrophobicContact CD1-CD2 4.08Å; L276-L280 HydrophobicContact CD1-CD1 4.43Å; L276-L280 HydrophobicContact CD1-CG 4.48Å; L276-L280 HydrophobicContact CG-CD1 4.26Å; L276-L280 WeakPolarHBondContact O-CG 3.48Å; L276-L280 PolarHBondContact O-N 2.95Å; I277-L280 PolarHBondContact O-N 3.49Å; L280-F285 HydrophobicContact CD2-CD1 4.04Å; L280-F285 HydrophobicContact CD2-CE1 3.62Å; L280-F285 HydrophobicContact CD2-CZ 4.43Å; L280-I291 HydrophobicContact CD2-CD1 4.21Å; L280-L313 HydrophobicContact CB-CD1 4.25Å; L280-L313 HydrophobicContact CD1-CD2 4.09Å
281	L	81	Confident	79.9	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.068	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.5	178.1	-68.8	-176	0	0	0	114.3	I277 F279 L313 M345 R350	I277-L281 HydrophobicContact CG2-CD1 3.63Å; I277-L281 HydrophobicContact CG2-CG 4.1Å; I277-L281 VanDerWaalsContact O-CB 3.31Å; I277-L281 WeakPolarHBondContact O-CB 3.35Å; I277-L281 WeakPolarHBondContact O-CG 3.34Å; I277-L281 PolarHBondContact O-N 3.26Å; F279-L281 VanDerWaalsContact C-N 3.31Å; F279-L281 PolarHBondContact O-N 3.25Å; L281-L313 HydrophobicContact CD2-CD1 3.77Å; L281-L313 HydrophobicContact CG-CD1 4.06Å; L281-M345 HydrophobicContact CB-CG 3.98Å; L281-M345 HydrophobicContact CD1-CE 4.13Å; L281-M345 HydrophobicContact CD1-CG 4.03Å; L281-M345 HydrophobicContact CD2-CB 4.3Å; L281-M345 HydrophobicContact CD2-CG 3.86Å; L281-M345 HydrophobicContact CG-CG 4.18Å; L281-R350 PolarHBondContact O-NE 3.1Å; L281-R350 PolarHBondContact O-NH2 2.75Å
282	S	81.5	Confident	80.2	Confident	30 Å²	30	41.7 Å²	41.7	21%	0.21	19%	0.189	C	C	.	.	S	Bend	trans	-59.7	156.9	-176.8	75.2	0	0	0	0	112.4	D278 F279 R284 F285 H286 R350	D278-S282 WeakPolarHBondContact O-CB 3.48Å; D278-S282 PolarHBondContact O-N 3.03Å; D278-S282 VanDerWaalsContact O-N 3.13Å; F279-S282 WeakPolarHBondContact O-CB 3.34Å; F279-S282 PolarHBondContact O-N 3.26Å; F279-S282 PolarHBondContact O-OG 3.14Å; S282-R284 PolarHBondContact O-N 2.89Å; S282-F285 WeakPolarHBondContact OG-CB 3.46Å; S282-F285 PolarHBondContact OG-N 2.9Å; S282-F285 VanDerWaalsContact OG-N 3.14Å; S282-H286 WeakPolarHBondContact O-CA 3.38Å; S282-H286 WeakPolarHBondContact O-CB 3.41Å; S282-H286 PolarHBondContact O-N 3.35Å; S282-R350 PolarHBondContact O-NH2 2.94Å
283	K	70.3	Confident	80.5	Confident	176 Å²	176	41.5 Å²	41.5	77%	0.765	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.4	173.4	-80.8	-172.3	175.9	-176	0	113
284	R	68.4	Low	80.8	Confident	246 Å²	246	41.7 Å²	41.7	93%	0.928	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-35.3	-176.2	-68.6	-176.2	178.7	172.9	-1.2	112.6	S282	S282-R284 PolarHBondContact O-N 2.89Å
285	F	73.3	Confident	81.1	Confident	10 Å²	10	41 Å²	41	4%	0.044	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-40.9	-177.8	-165.4	-106.8	0	0	0	113.4	V192 V220 N260 F279 L280 S282 S287	V192-F285 HydrophobicContact CB-CE1 4.43Å; V192-F285 HydrophobicContact CB-CZ 4.13Å; V192-F285 HydrophobicContact CG1-CE1 3.89Å; V192-F285 HydrophobicContact CG1-CZ 3.54Å; V192-F285 HydrophobicContact CG2-CE1 3.75Å; V192-F285 HydrophobicContact CG2-CE2 4.37Å; V192-F285 HydrophobicContact CG2-CZ 3.43Å; V192-F285 VanDerWaalsContact CG2-CZ 3.43Å; V220-F285 HydrophobicContact CG2-CE2 4.17Å; V220-F285 HydrophobicContact CG2-CZ 3.8Å; N260-F285 HydrophobicContact CB-CD2 4.22Å; N260-F285 HydrophobicContact CB-CE2 3.86Å; F279-F285 HydrophobicContact CD1-CG 4.35Å; F279-F285 HydrophobicContact CE1-CB 4.14Å; F279-F285 AromaticContact CE1-CD1 3.92Å; F279-F285 HydrophobicContact CE1-CD1 3.92Å; F279-F285 AromaticContact CE1-CD2 3.44Å; F279-F285 HydrophobicContact CE1-CD2 3.44Å; F279-F285 VanDerWaalsContact CE1-CD2 3.44Å; F279-F285 HydrophobicContact CE1-CE1 4.12Å; F279-F285 AromaticContact CE1-CE2 3.67Å; F279-F285 HydrophobicContact CE1-CE2 3.67Å; F279-F285 AromaticContact CE1-CG 3.55Å; F279-F285 HydrophobicContact CE1-CG 3.55Å; F279-F285 AromaticContact CE1-CZ 3.98Å; F279-F285 HydrophobicContact CE1-CZ 3.98Å; F279-F285 HydrophobicContact CE2-CB 4.28Å; F279-F285 HydrophobicContact CE2-CD2 4.26Å; F279-F285 HydrophobicContact CE2-CG 4.43Å; F279-F285 HydrophobicContact CZ-CB 3.91Å; F279-F285 HydrophobicContact CZ-CD1 4.42Å; F279-F285 AromaticContact CZ-CD2 3.22Å; F279-F285 HydrophobicContact CZ-CD2 3.22Å; F279-F285 AromaticContact CZ-CE2 3.74Å; F279-F285 HydrophobicContact CZ-CE2 3.74Å; F279-F285 AromaticContact CZ-CG 3.6Å; F279-F285 HydrophobicContact CZ-CG 3.6Å; F279-F285 HydrophobicContact CZ-CZ 4.5Å; F279-F285 WeakPolarHBondContact O-CB 3.41Å; L280-F285 HydrophobicContact CD2-CD1 4.04Å; L280-F285 HydrophobicContact CD2-CE1 3.62Å; L280-F285 HydrophobicContact CD2-CZ 4.43Å; S282-F285 WeakPolarHBondContact OG-CB 3.46Å; S282-F285 PolarHBondContact OG-N 2.9Å; S282-F285 VanDerWaalsContact OG-N 3.14Å; F285-S287 PolarHBondContact O-N 2.97Å
286	H	64.7	Low	81.1	Confident	58 Å²	58	38.2 Å²	38.2	27%	0.269	17%	0.171	S	C	.	.			trans	5.1	79	-176.2	-157.4	57.4	0	0	0	115.4	S282 K288 R350	S282-H286 WeakPolarHBondContact O-CA 3.38Å; S282-H286 WeakPolarHBondContact O-CB 3.41Å; S282-H286 PolarHBondContact O-N 3.35Å; H286-K288 PolarHBondContact O-N 3.19Å; H286-R350 PolarHBondContact ND1-NH2 3.2Å
287	S	62.4	Low	80.7	Confident	16 Å²	16	39.2 Å²	39.2	11%	0.112	18%	0.177	C	C	.	.			trans	-68.9	100	-178.9	59.7	0	0	0	0	110.6	F285 N289	F285-S287 PolarHBondContact O-N 2.97Å; S287-N289 PolarHBondContact O-N 2.71Å
288	K	69.6	Low	80.5	Confident	134 Å²	134	42.7 Å²	42.7	58%	0.583	20%	0.196	S	C	*	.	S	Bend	trans	-65.2	-14.9	158.9	-67.9	-175.3	177	-177.8	0	112	H286 N477	H286-K288 PolarHBondContact O-N 3.19Å; K288-N477 PolarHBondContact O-ND2 3.04Å
289	N	77.4	Confident	80.8	Confident	42 Å²	42	41.5 Å²	41.5	23%	0.225	19%	0.19	C	C	.	.	S	Bend	trans	-105.3	162.8	-167.4	-49.3	-25.6	0	0	0	110	D190 S287	D190-N289 WeakPolarHBondContact CB-ND2 3.49Å; D190-N289 PolarHBondContact O-ND2 3.15Å; D190-N289 VanDerWaalsContact O-ND2 3.12Å; S287-N289 PolarHBondContact O-N 2.71Å
290	P	84	Confident	80.5	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.019	19%	0.191	C	C	.	.			trans	-66	147.7	-178.6	26.9	-35	0	0	0	112.7	Y188 A191 V192 Y292 H479 W481 Y483	Y188-P290 HydrophobicContact CD1-CG 4.01Å; Y188-P290 HydrophobicContact CD2-CG 4.04Å; Y188-P290 HydrophobicContact CE1-CG 4.5Å; Y188-P290 HydrophobicContact CG-CG 3.75Å; A191-P290 HydrophobicContact CB-CG 4.45Å; V192-P290 PolarHBondContact N-O 3.35Å; P290-Y292 HydrophobicContact CB-CE2 3.81Å; P290-Y292 HydrophobicContact CG-CE2 3.8Å; P290-H479 VanDerWaalsContact CD-O 3.29Å; P290-H479 WeakPolarHBondContact CD-O 3.34Å; P290-W481 CarbonylContact C-O 3.58Å; P290-W481 VanDerWaalsContact CA-O 3.31Å; P290-W481 WeakPolarHBondContact CA-O 3.42Å; P290-Y483 HydrophobicContact CB-CD2 4.16Å; P290-Y483 HydrophobicContact CB-CE2 3.76Å
291	I	89.7	Confident	80.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.6	172.9	-66	179.2	0	0	0	108	V192 I194 L280 L293 L342 W481 C482 Y483	V192-I291 HydrophobicContact CB-CG1 4.07Å; V192-I291 HydrophobicContact CG1-CG1 4.15Å; V192-I291 HydrophobicContact CG1-CG2 4.48Å; V192-I291 CarbonylContact O-C 3.49Å; V192-I291 WeakPolarHBondContact O-CA 3.19Å; I194-I291 HydrophobicContact CD1-CG2 3.46Å; I194-I291 VanDerWaalsContact CD1-CG2 3.46Å; I194-I291 HydrophobicContact CG1-CG2 3.76Å; L280-I291 HydrophobicContact CD2-CD1 4.21Å; I291-L293 HydrophobicContact CG2-CD2 4.31Å; I291-L342 HydrophobicContact CB-CD1 4.43Å; I291-L342 HydrophobicContact CD1-CD1 3.69Å; I291-L342 HydrophobicContact CD1-CD2 4.03Å; I291-L342 HydrophobicContact CG1-CD1 3.85Å; I291-W481 PolarHBondContact N-O 3.35Å; I291-C482 CarbonylContact O-C 3.58Å; I291-C482 WeakPolarHBondContact O-CA 3.43Å; I291-Y483 PolarHBondContact O-N 3.3Å
292	Y	89.7	Confident	80.5	Confident	2 Å²	2	43 Å²	43	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126	173.7	-65	-89.8	0	0	0	110.1	I185 Y188 A191 V192 I194 P290 Y483 T485	I185-Y292 HydrophobicContact CB-CD2 4.49Å; I185-Y292 HydrophobicContact CB-CE2 4.5Å; I185-Y292 HydrophobicContact CD1-CD1 3.96Å; I185-Y292 HydrophobicContact CD1-CD2 4.28Å; I185-Y292 HydrophobicContact CD1-CG 3.76Å; I185-Y292 HydrophobicContact CG1-CD1 3.68Å; I185-Y292 HydrophobicContact CG1-CD2 3.8Å; I185-Y292 HydrophobicContact CG1-CE1 3.88Å; I185-Y292 HydrophobicContact CG1-CE2 3.99Å; I185-Y292 HydrophobicContact CG1-CG 3.64Å; I185-Y292 HydrophobicContact CG2-CD2 4.21Å; I185-Y292 HydrophobicContact CG2-CE2 4.47Å; Y188-Y292 WeakPolarHBondContact CD2-OH 3.49Å; Y188-Y292 WeakPolarHBondContact CE2-OH 3.46Å; A191-Y292 HydrophobicContact CB-CD2 4.22Å; A191-Y292 HydrophobicContact CB-CE2 4.02Å; V192-Y292 PolarHBondContact O-N 3.35Å; I194-Y292 PolarHBondContact N-O 3.06Å; P290-Y292 HydrophobicContact CB-CE2 3.81Å; P290-Y292 HydrophobicContact CG-CE2 3.8Å; Y292-Y483 AromaticContact CD1-CD2 3.92Å; Y292-Y483 HydrophobicContact CD1-CD2 3.92Å; Y292-Y483 HydrophobicContact CD1-CG 4.08Å; Y292-Y483 AromaticContact CE1-CD2 3.45Å; Y292-Y483 HydrophobicContact CE1-CD2 3.45Å; Y292-Y483 VanDerWaalsContact CE1-CD2 3.45Å; Y292-Y483 HydrophobicContact CE1-CE2 4.13Å; Y292-Y483 AromaticContact CE1-CG 3.79Å; Y292-Y483 HydrophobicContact CE1-CG 3.79Å; Y292-Y483 HydrophobicContact CE2-CD2 4.42Å; Y292-Y483 AromaticContact CZ-CD2 3.75Å; Y292-T485 HydrophobicContact CD1-CG2 4.18Å
293	L	91.2	Very high	80.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	109	172.2	-56.2	-172.2	0	0	0	109.3	I194 I196 I291 K301 F305 L308 Y483 T485	I194-L293 HydrophobicContact CB-CD2 3.82Å; I194-L293 HydrophobicContact CD1-CD2 3.83Å; I194-L293 HydrophobicContact CG1-CD2 4.22Å; I194-L293 HydrophobicContact CG2-CD2 4.16Å; I196-L293 HydrophobicContact CD1-CB 4.07Å; I196-L293 HydrophobicContact CD1-CD2 4.47Å; I291-L293 HydrophobicContact CG2-CD2 4.31Å; L293-K301 HydrophobicContact CB-CD 4.49Å; L293-K301 HydrophobicContact CB-CG 4.15Å; L293-F305 HydrophobicContact CD1-CB 3.78Å; L293-F305 HydrophobicContact CD1-CD2 3.85Å; L293-F305 HydrophobicContact CD1-CG 4.33Å; L293-L308 HydrophobicContact CD1-CD1 4.47Å; L293-L308 HydrophobicContact CD2-CD1 4.35Å; L293-Y483 PolarHBondContact N-O 3.06Å; L293-T485 PolarHBondContact O-N 3.22Å; L293-T485 PolarHBondContact O-OG1 3.46Å
294	I	90	Very high	81	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141	177.5	-57.8	-173.6	0	0	0	109.4	I185 V193 I194 V195 I196 I207 L210 L214 T485	I185-I294 HydrophobicContact CD1-CD1 3.61Å; I185-I294 HydrophobicContact CD1-CG1 4.32Å; V193-I294 HydrophobicContact CG1-CB 4.3Å; V193-I294 HydrophobicContact CG1-CD1 3.53Å; V193-I294 HydrophobicContact CG1-CG1 3.96Å; I194-I294 PolarHBondContact O-N 3.24Å; V195-I294 WeakPolarHBondContact CA-O 3.48Å; I196-I294 PolarHBondContact N-O 2.86Å; I207-I294 HydrophobicContact CD1-CG2 3.37Å; L210-I294 HydrophobicContact CD1-CG2 4.43Å; L210-I294 HydrophobicContact CD2-CG2 4.27Å; L214-I294 HydrophobicContact CD1-CD1 3.83Å; I294-T485 HydrophobicContact CG1-CG2 4.47Å
295	G	89	Confident	81.8	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	166.9	170.4	0	0	0	0	0	111.7	I196 G487 V488	I196-G295 WeakPolarHBondContact O-CA 3.36Å; G295-G487 WeakPolarHBondContact O-CA 3.4Å; G295-V488 PolarHBondContact O-N 3.08Å; G295-V488 VanDerWaalsContact O-N 3.08Å
296	S	86.2	Confident	81.8	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.014	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-70.4	169.1	172.7	80	0	0	0	0	111.4	S205 V299 V488 Q493	S205-S296 PolarHBondContact O-OG 2.96Å; S296-V299 WeakPolarHBondContact O-CG1 3.08Å; S296-V299 VanDerWaalsContact O-CG2 3.25Å; S296-V299 WeakPolarHBondContact O-CG2 3.41Å; S296-V299 WeakPolarHBondContact OG-CG1 3.14Å; S296-V488 CarbonylContact C-O 3.56Å; S296-V488 WeakPolarHBondContact CA-O 3.17Å; S296-V488 WeakPolarHBondContact CB-O 3.45Å; S296-Q493 PolarHBondContact OG-OE1 3.29Å
297	T	82.8	Confident	82.4	Confident	21 Å²	21	28.1 Å²	28.1	13%	0.129	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	151.4	171.8	43.5	0	0	0	0	112.5	V299 V488 F489 Q493 N496	T297-V299 PolarHBondContact O-N 3.49Å; T297-V299 VanDerWaalsContact O-N 3.08Å; T297-V488 PolarHBondContact N-O 3.5Å; T297-F489 HydrophobicContact CG2-CD1 3.53Å; T297-F489 HydrophobicContact CG2-CE1 3.36Å; T297-F489 HydrophobicContact CG2-CG 4.24Å; T297-F489 HydrophobicContact CG2-CZ 3.94Å; T297-F489 WeakPolarHBondContact OG1-CD1 3.11Å; T297-Q493 PolarHBondContact O-NE2 2.95Å; T297-Q493 PolarHBondContact O-OE1 3.34Å; T297-N496 PolarHBondContact OG1-ND2 3.44Å; T297-N496 PolarHBondContact OG1-OD1 3.08Å
298	N	81.2	Confident	83.4	Confident	76 Å²	76	27.3 Å²	27.3	41%	0.406	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	5.8	-178.6	-59.2	-39.2	0	0	0	117	K225 G300	K225-N298 VanDerWaalsContact CE-O 3.22Å; K225-N298 WeakPolarHBondContact CE-O 3.22Å; K225-N298 PolarHBondContact NZ-O 2.92Å; N298-G300 PolarHBondContact O-N 3.45Å
299	V	88.7	Confident	83.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-71.3	-15.2	171.3	-54.7	0	0	0	0	113.7	I196 D198 N224 S296 T297 K301	I196-V299 HydrophobicContact CB-CG2 4.12Å; I196-V299 HydrophobicContact CG2-CB 4.35Å; I196-V299 HydrophobicContact CG2-CG2 3.78Å; D198-V299 HydrophobicContact CB-CG1 4.39Å; N224-V299 PolarHBondContact ND2-O 3.23Å; S296-V299 WeakPolarHBondContact O-CG1 3.08Å; S296-V299 VanDerWaalsContact O-CG2 3.25Å; S296-V299 WeakPolarHBondContact O-CG2 3.41Å; S296-V299 WeakPolarHBondContact OG-CG1 3.14Å; T297-V299 PolarHBondContact O-N 3.49Å; T297-V299 VanDerWaalsContact O-N 3.08Å; V299-K301 HydrophobicContact CG2-CB 4.08Å
300	G	83.9	Confident	83.4	Confident	17 Å²	17	23.5 Å²	23.5	18%	0.175	14%	0.135	C	C	.	.			trans	89.8	23.6	-177.4	0	0	0	0	0	114.7	N298 S302 S303 L304	N298-G300 PolarHBondContact O-N 3.45Å; G300-S302 PolarHBondContact O-N 2.89Å; G300-S303 WeakPolarHBondContact O-CA 3.34Å; G300-S303 VanDerWaalsContact O-CB 3.29Å; G300-S303 WeakPolarHBondContact O-CB 3.42Å; G300-S303 PolarHBondContact O-N 3.32Å; G300-S303 VanDerWaalsContact O-N 3.13Å; G300-L304 PolarHBondContact O-N 3.34Å
301	K	87.8	Confident	82.9	Confident	13 Å²	13	23.5 Å²	23.5	6%	0.057	14%	0.135	C	C	.	.	H	α-helix	trans	-49.3	-55.4	175.1	173.4	-170.7	64.8	70.8	0	113	I196 L293 V299 S303 L304 F305 D484 T485	I196-K301 HydrophobicContact CD1-CB 3.96Å; I196-K301 HydrophobicContact CD1-CG 3.84Å; L293-K301 HydrophobicContact CB-CD 4.49Å; L293-K301 HydrophobicContact CB-CG 4.15Å; V299-K301 HydrophobicContact CG2-CB 4.08Å; K301-S303 VanDerWaalsContact C-N 3.26Å; K301-S303 PolarHBondContact O-N 3.04Å; K301-L304 CarbonylContact O-C 3.41Å; K301-L304 WeakPolarHBondContact O-CA 3.4Å; K301-L304 WeakPolarHBondContact O-CB 3.34Å; K301-L304 PolarHBondContact O-N 3.41Å; K301-F305 PolarHBondContact O-N 3.07Å; K301-D484 WeakPolarHBondContact CD-OD1 3.24Å; K301-D484 VanDerWaalsContact CG-OD1 3.25Å; K301-D484 WeakPolarHBondContact CG-OD1 3.37Å; K301-D484 IonicContact NZ-OD1 3.16Å; K301-D484 PolarHBondContact NZ-OD1 3.16Å; K301-D484 IonicContact NZ-OD2 3.62Å; K301-D484 PolarHBondContact NZ-OD2 3.11Å; K301-T485 VanDerWaalsContact CD-O 3.3Å; K301-T485 WeakPolarHBondContact CD-O 3.36Å; K301-T485 WeakPolarHBondContact CE-O 3.21Å; K301-T485 PolarHBondContact NZ-O 2.69Å
302	S	78.3	Confident	82	Confident	51 Å²	51	25.3 Å²	25.3	36%	0.357	14%	0.144	S	C	.	.	H	α-helix	trans	-69.2	-23.7	-179.8	-53.4	0	0	0	0	112.9	G300 N306 D484	G300-S302 PolarHBondContact O-N 2.89Å; S302-N306 WeakPolarHBondContact O-CB 3.23Å; S302-N306 PolarHBondContact O-N 2.9Å; S302-N306 PolarHBondContact O-ND2 2.86Å; S302-D484 PolarHBondContact OG-OD2 2.97Å
303	S	76.5	Confident	81.4	Confident	65 Å²	65	25.4 Å²	25.4	46%	0.455	15%	0.145	S	C	.	.	H	α-helix	trans	-66.7	-39.5	167.6	-45.7	0	0	0	0	111.6	G300 K301 R307	G300-S303 WeakPolarHBondContact O-CA 3.34Å; G300-S303 VanDerWaalsContact O-CB 3.29Å; G300-S303 WeakPolarHBondContact O-CB 3.42Å; G300-S303 PolarHBondContact O-N 3.32Å; G300-S303 VanDerWaalsContact O-N 3.13Å; K301-S303 VanDerWaalsContact C-N 3.26Å; K301-S303 PolarHBondContact O-N 3.04Å; S303-R307 WeakPolarHBondContact O-CB 3.37Å; S303-R307 PolarHBondContact O-N 2.9Å; S303-R307 VanDerWaalsContact O-N 3.09Å
304	L	86.2	Confident	80.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.6	-46	172.8	179.1	58.9	0	0	0	111.2	I196 V222 I265 A267 I273 L276 G300 K301 N306 R307 L308	I196-L304 HydrophobicContact CD1-CD2 3.67Å; I196-L304 HydrophobicContact CG1-CD2 3.99Å; V222-L304 HydrophobicContact CG1-CD2 4.05Å; I265-L304 HydrophobicContact CD1-CD1 3.66Å; I265-L304 HydrophobicContact CD1-CD2 3.98Å; I265-L304 HydrophobicContact CD1-CG 4.34Å; A267-L304 HydrophobicContact CB-CB 4.18Å; I273-L304 HydrophobicContact CD1-CD1 3.41Å; I273-L304 VanDerWaalsContact CD1-CD1 3.41Å; L276-L304 HydrophobicContact CD2-CD1 4.42Å; G300-L304 PolarHBondContact O-N 3.34Å; K301-L304 CarbonylContact O-C 3.41Å; K301-L304 WeakPolarHBondContact O-CA 3.4Å; K301-L304 WeakPolarHBondContact O-CB 3.34Å; K301-L304 PolarHBondContact O-N 3.41Å; L304-N306 PolarHBondContact O-N 3.21Å; L304-R307 CarbonylContact O-C 3.57Å; L304-R307 WeakPolarHBondContact O-CA 3.3Å; L304-R307 WeakPolarHBondContact O-CB 3.4Å; L304-R307 PolarHBondContact O-N 3.37Å; L304-L308 HydrophobicContact CD1-CD1 4.24Å; L304-L308 HydrophobicContact CD1-CD2 4.33Å; L304-L308 HydrophobicContact CD1-CG 3.99Å; L304-L308 HydrophobicContact CG-CD1 4.03Å; L304-L308 HydrophobicContact CG-CG 4.23Å; L304-L308 WeakPolarHBondContact O-CG 3.42Å; L304-L308 PolarHBondContact O-N 2.83Å
305	F	84.8	Confident	78.9	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-53.1	-51.9	175.5	-177.8	-97.6	0	0	0	111.4	L293 K301 R307 L308 L309 A325 L338 F340 D484	L293-F305 HydrophobicContact CD1-CB 3.78Å; L293-F305 HydrophobicContact CD1-CD2 3.85Å; L293-F305 HydrophobicContact CD1-CG 4.33Å; K301-F305 PolarHBondContact O-N 3.07Å; F305-R307 PolarHBondContact O-N 2.85Å; F305-L308 PolarHBondContact O-N 2.74Å; F305-L308 VanDerWaalsContact O-N 3.1Å; F305-L309 WeakPolarHBondContact O-CB 3.32Å; F305-L309 PolarHBondContact O-N 3.43Å; F305-A325 HydrophobicContact CE1-CB 4.12Å; F305-A325 HydrophobicContact CZ-CB 4.36Å; F305-L338 HydrophobicContact CE1-CB 4.04Å; F305-L338 HydrophobicContact CE1-CD1 4.49Å; F305-L338 HydrophobicContact CZ-CB 3.88Å; F305-F340 AromaticContact CD2-CD1 3.98Å; F305-F340 HydrophobicContact CD2-CD1 3.98Å; F305-F340 AromaticContact CD2-CE1 3.79Å; F305-F340 HydrophobicContact CD2-CE1 3.79Å; F305-F340 HydrophobicContact CE1-CD1 4.32Å; F305-F340 AromaticContact CE2-CD1 3.38Å; F305-F340 HydrophobicContact CE2-CD1 3.38Å; F305-F340 AromaticContact CE2-CE1 3.66Å; F305-F340 HydrophobicContact CE2-CE1 3.66Å; F305-F340 HydrophobicContact CG-CE1 4.5Å; F305-F340 AromaticContact CZ-CD1 3.59Å; F305-F340 HydrophobicContact CZ-CD1 3.59Å; F305-F340 HydrophobicContact CZ-CE1 4.25Å; F305-D484 HydrophobicContact CB-CB 4.49Å; F305-D484 HydrophobicContact CD1-CB 4.48Å; F305-D484 HydrophobicContact CD2-CB 3.63Å; F305-D484 HydrophobicContact CE2-CB 3.82Å; F305-D484 HydrophobicContact CG-CB 3.96Å; F305-D484 HydrophobicContact CZ-CB 4.34Å
306	N	74.3	Confident	77	Confident	87 Å²	87	30.7 Å²	30.7	47%	0.465	18%	0.177	S	C	.	.	H	α-helix	trans	-59.6	-33.9	176.2	-70.2	-14.8	0	0	0	112.7	S302 L304 L310	S302-N306 WeakPolarHBondContact O-CB 3.23Å; S302-N306 PolarHBondContact O-N 2.9Å; S302-N306 PolarHBondContact O-ND2 2.86Å; L304-N306 PolarHBondContact O-N 3.21Å; N306-L310 WeakPolarHBondContact O-CD1 3.26Å; N306-L310 VanDerWaalsContact O-CG 3.29Å; N306-L310 WeakPolarHBondContact O-CG 3.48Å; N306-L310 PolarHBondContact O-N 2.95Å
307	R	77.5	Confident	75.3	Confident	54 Å²	54	35.7 Å²	35.7	20%	0.204	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-36.8	175.9	-155	69.3	166.8	-177.9	-2.2	112.3	A267 T269 I273 S303 L304 F305 S311 I385	A267-R307 WeakPolarHBondContact O-CD 3.32Å; T269-R307 PolarHBondContact O-NH2 2.86Å; I273-R307 HydrophobicContact CD1-CG 4.41Å; I273-R307 HydrophobicContact CG1-CG 4.14Å; I273-R307 HydrophobicContact CG2-CG 4.12Å; S303-R307 WeakPolarHBondContact O-CB 3.37Å; S303-R307 PolarHBondContact O-N 2.9Å; S303-R307 VanDerWaalsContact O-N 3.09Å; L304-R307 CarbonylContact O-C 3.57Å; L304-R307 WeakPolarHBondContact O-CA 3.3Å; L304-R307 WeakPolarHBondContact O-CB 3.4Å; L304-R307 PolarHBondContact O-N 3.37Å; F305-R307 PolarHBondContact O-N 2.85Å; R307-S311 WeakPolarHBondContact O-CB 3.43Å; R307-S311 PolarHBondContact O-N 2.95Å; R307-I385 VanDerWaalsContact CZ-CD1 3.41Å
308	L	82.8	Confident	73.2	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.9	-39	177.6	-66.7	177.3	0	0	0	112	I277 L293 L304 F305 L310 S311 L313 F340	I277-L308 HydrophobicContact CD1-CD2 4.38Å; I277-L308 HydrophobicContact CG1-CD2 3.9Å; L293-L308 HydrophobicContact CD1-CD1 4.47Å; L293-L308 HydrophobicContact CD2-CD1 4.35Å; L304-L308 HydrophobicContact CD1-CD1 4.24Å; L304-L308 HydrophobicContact CD1-CD2 4.33Å; L304-L308 HydrophobicContact CD1-CG 3.99Å; L304-L308 HydrophobicContact CG-CD1 4.03Å; L304-L308 HydrophobicContact CG-CG 4.23Å; L304-L308 WeakPolarHBondContact O-CG 3.42Å; L304-L308 PolarHBondContact O-N 2.83Å; F305-L308 PolarHBondContact O-N 2.74Å; F305-L308 VanDerWaalsContact O-N 3.1Å; L308-L310 PolarHBondContact O-N 2.79Å; L308-S311 WeakPolarHBondContact CA-OG 3.42Å; L308-S311 WeakPolarHBondContact O-CB 3.48Å; L308-S311 PolarHBondContact O-N 2.86Å; L308-S311 PolarHBondContact O-OG 3.22Å; L308-L313 HydrophobicContact CB-CD2 4.23Å; L308-L313 HydrophobicContact CD1-CD2 4.23Å; L308-L313 HydrophobicContact CD2-CD2 4.02Å; L308-L313 HydrophobicContact CG-CD2 4.39Å; L308-F340 HydrophobicContact CB-CE1 4.08Å; L308-F340 HydrophobicContact CB-CZ 3.72Å
309	L	76	Confident	71.4	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-56.8	-32.4	173.9	-171.6	70.5	0	0	0	113.2	F305 S321 R324 A325 F340	F305-L309 WeakPolarHBondContact O-CB 3.32Å; F305-L309 PolarHBondContact O-N 3.43Å; L309-S321 WeakPolarHBondContact CD2-O 3.42Å; L309-R324 HydrophobicContact CD1-CB 3.75Å; L309-R324 PolarHBondContact O-NH1 2.55Å; L309-A325 HydrophobicContact CD1-CB 4.11Å; L309-A325 HydrophobicContact CD2-CB 4.12Å; L309-F340 HydrophobicContact CB-CD1 4.29Å; L309-F340 HydrophobicContact CB-CE1 4.45Å; L309-F340 HydrophobicContact CD1-CB 3.55Å; L309-F340 HydrophobicContact CD1-CD1 3.68Å; L309-F340 HydrophobicContact CD1-CG 3.75Å
310	L	71.2	Confident	69.3	Low	85 Å²	85	41.4 Å²	41.4	45%	0.445	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	0.3	177.6	-66.4	174	0	0	0	114	N306 L308 S321	N306-L310 WeakPolarHBondContact O-CD1 3.26Å; N306-L310 VanDerWaalsContact O-CG 3.29Å; N306-L310 WeakPolarHBondContact O-CG 3.48Å; N306-L310 PolarHBondContact O-N 2.95Å; L308-L310 PolarHBondContact O-N 2.79Å; L310-S321 VanDerWaalsContact CD2-CB 3.48Å; L310-S321 WeakPolarHBondContact CD2-OG 3.33Å
311	S	73.1	Confident	67.4	Low	3 Å²	3	42 Å²	42	2%	0.021	23%	0.23	C	C	.	.	S	Bend	trans	-107.8	167.1	-175	79.6	0	0	0	0	112.4	I277 R307 L308 L313 C314	I277-S311 VanDerWaalsContact CD1-CB 3.41Å; I277-S311 WeakPolarHBondContact CD1-OG 3.45Å; R307-S311 WeakPolarHBondContact O-CB 3.43Å; R307-S311 PolarHBondContact O-N 2.95Å; L308-S311 WeakPolarHBondContact CA-OG 3.42Å; L308-S311 WeakPolarHBondContact O-CB 3.48Å; L308-S311 PolarHBondContact O-N 2.86Å; L308-S311 PolarHBondContact O-OG 3.22Å; S311-L313 PolarHBondContact O-N 3.3Å; S311-L313 WeakPolarHBondContact OG-CB 3.38Å; S311-L313 PolarHBondContact OG-N 2.95Å; S311-C314 PolarHBondContact O-N 2.83Å
312	D	71.4	Confident	65.3	Low	38 Å²	38	43.6 Å²	43.6	20%	0.203	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-13.5	173.3	-68.9	9	0	0	0	115.6	C314 T343 R353 G388	D312-C314 PolarHBondContact O-N 3.22Å; D312-T343 PolarHBondContact O-OG1 3.44Å; D312-R353 VanDerWaalsContact CG-NH1 3.27Å; D312-R353 IonicContact OD2-CZ 2.83Å; D312-R353 IonicContact OD2-NH1 3.13Å; D312-R353 PolarHBondContact OD2-NH1 3.43Å; D312-G388 PolarHBondContact OD1-N 3.19Å
313	L	76.7	Confident	63.7	Low	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.2	169.7	-165.7	66.9	0	0	0	111.3	I277 L280 L281 L308 S311 F340 L342 T343	I277-L313 HydrophobicContact CG2-CB 4.4Å; L280-L313 HydrophobicContact CB-CD1 4.25Å; L280-L313 HydrophobicContact CD1-CD2 4.09Å; L281-L313 HydrophobicContact CD2-CD1 3.77Å; L281-L313 HydrophobicContact CG-CD1 4.06Å; L308-L313 HydrophobicContact CB-CD2 4.23Å; L308-L313 HydrophobicContact CD1-CD2 4.23Å; L308-L313 HydrophobicContact CD2-CD2 4.02Å; L308-L313 HydrophobicContact CG-CD2 4.39Å; S311-L313 PolarHBondContact O-N 3.3Å; S311-L313 WeakPolarHBondContact OG-CB 3.38Å; S311-L313 PolarHBondContact OG-N 2.95Å; L313-F340 HydrophobicContact CD2-CE2 4.28Å; L313-F340 HydrophobicContact CD2-CZ 4.13Å; L313-F340 HydrophobicContact CG-CE2 4.33Å; L313-L342 HydrophobicContact CD1-CD2 3.96Å; L313-L342 HydrophobicContact CD2-CD2 3.93Å; L313-L342 HydrophobicContact CG-CD2 3.71Å; L313-T343 VanDerWaalsContact C-OG1 3.31Å; L313-T343 WeakPolarHBondContact O-CB 3.33Å; L313-T343 PolarHBondContact O-N 2.84Å; L313-T343 PolarHBondContact O-OG1 3.07Å
314	C	71.2	Confident	62.5	Low	4 Å²	4	42.6 Å²	42.6	3%	0.027	22%	0.22	C	C	.	.	S	Bend	trans	-116.8	119.8	175.7	-161.7	0	0	0	0	110.7	S311 D312 R324 F340 P341 T343	S311-C314 PolarHBondContact O-N 2.83Å; D312-C314 PolarHBondContact O-N 3.22Å; C314-R324 VanDerWaalsContact SG-CD 3.55Å; C314-F340 HydrophobicContact CB-CD2 3.69Å; C314-F340 HydrophobicContact CB-CE2 3.89Å; C314-F340 HydrophobicContact CB-CG 4.48Å; C314-F340 VanDerWaalsContact SG-CD2 3.59Å; C314-P341 PolarHBondContact SG-O 3.37Å; C314-T343 WeakPolarHBondContact CA-OG1 3.18Å
315	K	58.2	Low	60.9	Low	44 Å²	44	43.5 Å²	43.5	19%	0.191	23%	0.228	C	C	.	.			trans	-68	140	-165.9	-156.6	-170.5	177.5	-161.5	0	112	E317 T343 Y475	K315-E317 WeakPolarHBondContact CE-OE1 3.45Å; K315-E317 VanDerWaalsContact CE-OE2 3.32Å; K315-E317 WeakPolarHBondContact CE-OE2 3.44Å; K315-E317 IonicContact NZ-OE1 2.63Å; K315-E317 PolarHBondContact NZ-OE1 3.23Å; K315-E317 IonicContact NZ-OE2 3.28Å; K315-E317 PolarHBondContact NZ-OE2 3.05Å; K315-E317 PolarHBondContact O-N 2.99Å; K315-T343 HydrophobicContact CB-CG2 4.06Å; K315-T343 HydrophobicContact CG-CG2 4.19Å; K315-T343 PolarHBondContact N-OG1 3.25Å; K315-Y475 HydrophobicContact CD-CG 4.44Å
316	S	48.5	Very low	59.1	Low	70 Å²	70	46.3 Å²	46.3	49%	0.49	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13	-169.9	47.9	0	0	0	0	117	A318 R324	S316-A318 VanDerWaalsContact C-N 3.27Å; S316-A318 PolarHBondContact O-N 2.89Å; S316-R324 PolarHBondContact O-NH2 2.95Å
317	E	49.7	Very low	57.9	Low	106 Å²	106	45.4 Å²	45.4	50%	0.495	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.1	-169.4	-74.9	162.8	-166.3	0	0	114.9	K315	K315-E317 WeakPolarHBondContact CE-OE1 3.45Å; K315-E317 VanDerWaalsContact CE-OE2 3.32Å; K315-E317 WeakPolarHBondContact CE-OE2 3.44Å; K315-E317 IonicContact NZ-OE1 2.63Å; K315-E317 PolarHBondContact NZ-OE1 3.23Å; K315-E317 IonicContact NZ-OE2 3.28Å; K315-E317 PolarHBondContact NZ-OE2 3.05Å; K315-E317 PolarHBondContact O-N 2.99Å
318	A	39.2	Very low	56.2	Low	50 Å²	50	44.1 Å²	44.1	41%	0.413	24%	0.239	S	C	.	.	S	Bend	trans	-82	120.2	167.8	0	0	0	0	0	110	S316 E320 R324	S316-A318 VanDerWaalsContact C-N 3.27Å; S316-A318 PolarHBondContact O-N 2.89Å; A318-E320 VanDerWaalsContact C-N 3.26Å; A318-E320 PolarHBondContact O-N 2.86Å; A318-R324 HydrophobicContact CB-CG 4.2Å; A318-R324 PolarHBondContact O-NE 3.37Å; A318-R324 PolarHBondContact O-NH2 3.14Å
319	K	43.3	Very low	54.1	Low	132 Å²	132	49.9 Å²	49.9	57%	0.574	28%	0.275	S	S	*	.	S	Bend	trans	-55	-24.2	-164.8	-86.9	179.1	-179.3	166	0	116.5	D454	K319-D454 WeakPolarHBondContact CE-OD2 3.27Å; K319-D454 IonicContact NZ-OD1 2.84Å; K319-D454 PolarHBondContact NZ-OD1 2.83Å; K319-D454 IonicContact NZ-OD2 2.71Å; K319-D454 PolarHBondContact NZ-OD2 3.4Å
320	E	45.2	Very low	52.9	Low	35 Å²	35	50.8 Å²	50.8	16%	0.164	28%	0.277	C	S	.	.			trans	-140.1	142.9	176	-94.2	-114.4	-173.6	0	0	112.2	G121 P123 R157 A318 I322 H323	G121-E320 VanDerWaalsContact O-CD 3.24Å; P123-E320 WeakPolarHBondContact CD-OE1 3.39Å; R157-E320 IonicContact NH1-OE2 2.65Å; A318-E320 VanDerWaalsContact C-N 3.26Å; A318-E320 PolarHBondContact O-N 2.86Å; E320-I322 VanDerWaalsContact C-N 3.32Å; E320-I322 PolarHBondContact O-N 3.31Å; E320-H323 VanDerWaalsContact CB-CD2 3.47Å; E320-H323 WeakPolarHBondContact CB-CD2 3.43Å
321	S	43.9	Very low	51	Low	29 Å²	29	50.4 Å²	50.4	20%	0.203	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.2	-170.9	-45.6	0	0	0	0	113.9	L309 L310 R324	L309-S321 WeakPolarHBondContact CD2-O 3.42Å; L310-S321 VanDerWaalsContact CD2-CB 3.48Å; L310-S321 WeakPolarHBondContact CD2-OG 3.33Å; S321-R324 WeakPolarHBondContact O-CB 3.45Å; S321-R324 PolarHBondContact O-N 2.81Å
322	I	43.8	Very low	49.1	Very low	48 Å²	48	52.9 Å²	52.9	25%	0.246	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-30.8	-174.5	-68.6	171.8	0	0	0	111.5	R157 E320 R324 A325	R157-I322 HydrophobicContact CG-CD1 3.79Å; E320-I322 VanDerWaalsContact C-N 3.32Å; E320-I322 PolarHBondContact O-N 3.31Å; I322-R324 VanDerWaalsContact C-N 3.26Å; I322-R324 PolarHBondContact O-N 3.37Å; I322-A325 PolarHBondContact O-N 3.36Å
323	H	45.3	Very low	47.4	Very low	64 Å²	64	53.1 Å²	53.1	30%	0.296	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.1	176.3	-48.3	-78	0	0	0	113	Y94 G121 E320 A325	Y94-H323 AromaticContact CE1-CE1 3.44Å; Y94-H323 VanDerWaalsContact CE1-CE1 3.44Å; Y94-H323 WeakPolarHBondContact CE1-CE1 3.38Å; Y94-H323 AromaticContact CE1-ND1 3.81Å; Y94-H323 AromaticContact CE2-CE1 3.95Å; Y94-H323 AromaticContact CE2-ND1 3.48Å; Y94-H323 WeakPolarHBondContact CE2-ND1 3.34Å; Y94-H323 AromaticContact CZ-CE1 3.3Å; Y94-H323 AromaticContact CZ-ND1 3.32Å; Y94-H323 VanDerWaalsContact CZ-ND1 3.32Å; Y94-H323 PolarHBondContact OH-CE1 2.81Å; Y94-H323 VanDerWaalsContact OH-CE1 3.28Å; Y94-H323 PolarHBondContact OH-ND1 2.84Å; G121-H323 WeakPolarHBondContact CA-NE2 3.43Å; E320-H323 VanDerWaalsContact CB-CD2 3.47Å; E320-H323 WeakPolarHBondContact CB-CD2 3.43Å; H323-A325 PolarHBondContact O-N 2.99Å
324	R	50.8	Low	45.2	Very low	30 Å²	30	57.8 Å²	57.8	11%	0.113	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.4	172.9	-54.7	-178.6	-164	157.1	0.9	111.9	L309 C314 S316 A318 S321 I322 T326 F340 P341	L309-R324 HydrophobicContact CD1-CB 3.75Å; L309-R324 PolarHBondContact O-NH1 2.55Å; C314-R324 VanDerWaalsContact SG-CD 3.55Å; S316-R324 PolarHBondContact O-NH2 2.95Å; A318-R324 HydrophobicContact CB-CG 4.2Å; A318-R324 PolarHBondContact O-NE 3.37Å; A318-R324 PolarHBondContact O-NH2 3.14Å; S321-R324 WeakPolarHBondContact O-CB 3.45Å; S321-R324 PolarHBondContact O-N 2.81Å; I322-R324 VanDerWaalsContact C-N 3.26Å; I322-R324 PolarHBondContact O-N 3.37Å; R324-T326 PolarHBondContact O-N 3.13Å; R324-F340 VanDerWaalsContact O-CA 3.28Å; R324-F340 WeakPolarHBondContact O-CA 3.48Å; R324-F340 WeakPolarHBondContact O-CB 3.35Å; R324-P341 WeakPolarHBondContact O-CD 3.38Å
325	A	51.8	Low	43.9	Very low	19 Å²	19	60.1 Å²	60.1	16%	0.157	35%	0.348	C	S	.	.	S	Bend	trans	-93.5	88	179	0	0	0	0	0	110.2	F305 L309 I322 H323 L338 S339	F305-A325 HydrophobicContact CE1-CB 4.12Å; F305-A325 HydrophobicContact CZ-CB 4.36Å; L309-A325 HydrophobicContact CD1-CB 4.11Å; L309-A325 HydrophobicContact CD2-CB 4.12Å; I322-A325 PolarHBondContact O-N 3.36Å; H323-A325 PolarHBondContact O-N 2.99Å; A325-L338 HydrophobicContact CB-CD2 4.03Å; A325-S339 CarbonylContact C-O 3.57Å; A325-S339 VanDerWaalsContact CA-O 3.26Å; A325-S339 WeakPolarHBondContact CA-O 3.18Å
326	T	48.1	Very low	43.5	Very low	60 Å²	60	58.7 Å²	58.7	37%	0.368	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.8	178.3	46.1	0	0	0	0	111.9	R324 S328 S339 W481	R324-T326 PolarHBondContact O-N 3.13Å; T326-S328 PolarHBondContact O-N 3.21Å; T326-S339 PolarHBondContact N-O 3.12Å; T326-S339 PolarHBondContact O-N 3.46Å; T326-S339 PolarHBondContact O-OG 2.96Å; T326-S339 PolarHBondContact OG1-O 2.99Å; T326-S339 PolarHBondContact OG1-OG 2.91Å; T326-W481 VanDerWaalsContact OG1-CZ3 3.31Å; T326-W481 WeakPolarHBondContact OG1-CZ3 3.38Å
327	I	47.5	Very low	44.1	Very low	68 Å²	68	56 Å²	56	35%	0.349	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	104.9	173.9	-61.4	174.7	0	0	0	108.3	L337 L338	I327-L337 CarbonylContact C-O 3.59Å; I327-L337 WeakPolarHBondContact CA-O 3.48Å; I327-L338 HydrophobicContact CG1-CD2 4.06Å
328	S	43.4	Very low	45	Very low	27 Å²	27	52.4 Å²	52.4	19%	0.189	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.4	176.8	62.9	0	0	0	0	110.4	T326 G336 L337	T326-S328 PolarHBondContact O-N 3.21Å; S328-G336 CarbonylContact O-C 3.59Å; S328-G336 WeakPolarHBondContact O-CA 3.22Å; S328-L337 PolarHBondContact N-O 2.91Å; S328-L337 PolarHBondContact O-N 2.75Å; S328-L337 PolarHBondContact OG-O 2.83Å
329	T	38.9	Very low	46.6	Very low	122 Å²	122	50.1 Å²	50.1	75%	0.748	29%	0.292	S	S	*	.			trans	-56.8	140.8	178.5	44.4	0	0	0	0	111.9
330	W	50.8	Low	48.1	Very low	29 Å²	29	43.9 Å²	43.9	11%	0.11	26%	0.264	C	S	.	.			trans	-129.5	139.3	-173.1	-110.8	68.5	0	0	0	112.4	N180 V181 E184 G332 T333 L337	N180-W330 VanDerWaalsContact C-CZ3 3.49Å; N180-W330 HydrophobicContact CB-CZ3 4.06Å; N180-W330 VanDerWaalsContact O-CH2 3.3Å; N180-W330 WeakPolarHBondContact O-CH2 3.18Å; N180-W330 WeakPolarHBondContact O-CZ3 3.28Å; V181-W330 HydrophobicContact CG2-CH2 4.36Å; E184-W330 HydrophobicContact CB-CH2 3.08Å; E184-W330 HydrophobicContact CB-CZ2 3.26Å; E184-W330 HydrophobicContact CB-CZ3 3.99Å; E184-W330 HydrophobicContact CG-CH2 3.81Å; E184-W330 HydrophobicContact CG-CZ2 3.43Å; E184-W330 VanDerWaalsContact CG-CZ2 3.43Å; W330-G332 PolarHBondContact O-N 3.49Å; W330-T333 WeakPolarHBondContact CB-OG1 3.45Å; W330-L337 HydrophobicContact CD2-CD1 4.39Å; W330-L337 HydrophobicContact CD2-CG 4.27Å; W330-L337 VanDerWaalsContact CE2-CD1 3.49Å; W330-L337 HydrophobicContact CG-CG 4.08Å; W330-L337 HydrophobicContact CZ2-CD1 3.74Å; W330-L337 HydrophobicContact CZ2-CG 4.49Å; W330-L337 VanDerWaalsContact NE1-CD1 3.25Å
331	P	30.4	Very low	49.5	Very low	77 Å²	77	43.1 Å²	43.1	50%	0.5	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	129.6	176.9	-15.3	29.8	0	0	0	110.7	T333	P331-T333 PolarHBondContact O-N 2.84Å
332	G	33.9	Very low	51.2	Low	54 Å²	54	42.1 Å²	42.1	56%	0.557	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	2.9	174.1	0	0	0	0	0	116.1	W330	W330-G332 PolarHBondContact O-N 3.49Å
333	T	35	Very low	52.6	Low	44 Å²	44	40.6 Å²	40.6	27%	0.27	25%	0.248	S	C	.	.			trans	-128.6	134.8	171.8	54.2	0	0	0	0	111.6	I172 W330 P331 M335	I172-T333 HydrophobicContact CD1-CG2 4.45Å; W330-T333 WeakPolarHBondContact CB-OG1 3.45Å; P331-T333 PolarHBondContact O-N 2.84Å; T333-M335 WeakPolarHBondContact CB-O 3.38Å; T333-M335 PolarHBondContact O-N 3.3Å; T333-M335 PolarHBondContact OG1-O 3.26Å
334	T	31.4	Very low	53.6	Low	101 Å²	101	39.6 Å²	39.6	62%	0.62	24%	0.244	S	C	*	.	S	Bend	trans	-64.8	-16.9	173.9	6.8	0	0	0	0	112.9
335	M	42.5	Very low	54.6	Low	53 Å²	53	38.9 Å²	38.9	26%	0.261	24%	0.243	S	C	.	.	S	Bend	trans	-104.5	141.4	173.5	-56	167.8	62.7	0	0	111	A167 T333	A167-M335 HydrophobicContact CB-CE 3.35Å; A167-M335 HydrophobicContact CB-CG 3.93Å; A167-M335 HydrophobicContact CB-SD 3.42Å; A167-M335 WeakPolarHBondContact CB-SD 3.45Å; T333-M335 WeakPolarHBondContact CB-O 3.38Å; T333-M335 PolarHBondContact O-N 3.3Å; T333-M335 PolarHBondContact OG1-O 3.26Å
336	G	49.9	Very low	55.5	Low	15 Å²	15	41.3 Å²	41.3	16%	0.155	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-89.7	161.1	166.9	0	0	0	0	0	113.2	S328	S328-G336 CarbonylContact O-C 3.59Å; S328-G336 WeakPolarHBondContact O-CA 3.22Å
337	L	62.4	Low	56.6	Low	13 Å²	13	43.5 Å²	43.5	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.7	173.2	-61	-169	0	0	0	111.6	I327 S328 W330 Y483 T485 P486	I327-L337 CarbonylContact C-O 3.59Å; I327-L337 WeakPolarHBondContact CA-O 3.48Å; S328-L337 PolarHBondContact N-O 2.91Å; S328-L337 PolarHBondContact O-N 2.75Å; S328-L337 PolarHBondContact OG-O 2.83Å; W330-L337 HydrophobicContact CD2-CD1 4.39Å; W330-L337 HydrophobicContact CD2-CG 4.27Å; W330-L337 VanDerWaalsContact CE2-CD1 3.49Å; W330-L337 HydrophobicContact CG-CG 4.08Å; W330-L337 HydrophobicContact CZ2-CD1 3.74Å; W330-L337 HydrophobicContact CZ2-CG 4.49Å; W330-L337 VanDerWaalsContact NE1-CD1 3.25Å; L337-Y483 HydrophobicContact CB-CD1 4.5Å; L337-T485 HydrophobicContact CD1-CG2 4.24Å; L337-P486 HydrophobicContact CD2-CG 4.24Å
338	L	68.3	Low	57.7	Low	31 Å²	31	43.1 Å²	43.1	16%	0.162	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.2	164.4	-77	170.9	0	0	0	109.5	H164 F305 A325 I327 D484	H164-L338 VanDerWaalsContact NE2-CD1 3.28Å; H164-L338 WeakPolarHBondContact NE2-CD1 3.35Å; F305-L338 HydrophobicContact CE1-CB 4.04Å; F305-L338 HydrophobicContact CE1-CD1 4.49Å; F305-L338 HydrophobicContact CZ-CB 3.88Å; A325-L338 HydrophobicContact CB-CD2 4.03Å; I327-L338 HydrophobicContact CG1-CD2 4.06Å; L338-D484 HydrophobicContact CB-CB 4.27Å; L338-D484 PolarHBondContact O-N 2.93Å
339	S	73	Confident	59	Low	2 Å²	2	43.3 Å²	43.3	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.2	-177.2	59	0	0	0	0	111.1	A325 T326 C482 Y483	A325-S339 CarbonylContact C-O 3.57Å; A325-S339 VanDerWaalsContact CA-O 3.26Å; A325-S339 WeakPolarHBondContact CA-O 3.18Å; T326-S339 PolarHBondContact N-O 3.12Å; T326-S339 PolarHBondContact O-N 3.46Å; T326-S339 PolarHBondContact O-OG 2.96Å; T326-S339 PolarHBondContact OG1-O 2.99Å; T326-S339 PolarHBondContact OG1-OG 2.91Å; S339-C482 CarbonylContact C-O 3.49Å; S339-C482 WeakPolarHBondContact CA-O 3.43Å; S339-Y483 VanDerWaalsContact CB-CD1 3.48Å
340	F	74.5	Confident	60.6	Low	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.1	172	70.1	-104.9	0	0	0	112.6	F305 L308 L309 L313 C314 R324 L342 W481 C482	F305-F340 AromaticContact CD2-CD1 3.98Å; F305-F340 HydrophobicContact CD2-CD1 3.98Å; F305-F340 AromaticContact CD2-CE1 3.79Å; F305-F340 HydrophobicContact CD2-CE1 3.79Å; F305-F340 HydrophobicContact CE1-CD1 4.32Å; F305-F340 AromaticContact CE2-CD1 3.38Å; F305-F340 HydrophobicContact CE2-CD1 3.38Å; F305-F340 AromaticContact CE2-CE1 3.66Å; F305-F340 HydrophobicContact CE2-CE1 3.66Å; F305-F340 HydrophobicContact CG-CE1 4.5Å; F305-F340 AromaticContact CZ-CD1 3.59Å; F305-F340 HydrophobicContact CZ-CD1 3.59Å; F305-F340 HydrophobicContact CZ-CE1 4.25Å; L308-F340 HydrophobicContact CB-CE1 4.08Å; L308-F340 HydrophobicContact CB-CZ 3.72Å; L309-F340 HydrophobicContact CB-CD1 4.29Å; L309-F340 HydrophobicContact CB-CE1 4.45Å; L309-F340 HydrophobicContact CD1-CB 3.55Å; L309-F340 HydrophobicContact CD1-CD1 3.68Å; L309-F340 HydrophobicContact CD1-CG 3.75Å; L313-F340 HydrophobicContact CD2-CE2 4.28Å; L313-F340 HydrophobicContact CD2-CZ 4.13Å; L313-F340 HydrophobicContact CG-CE2 4.33Å; C314-F340 HydrophobicContact CB-CD2 3.69Å; C314-F340 HydrophobicContact CB-CE2 3.89Å; C314-F340 HydrophobicContact CB-CG 4.48Å; C314-F340 VanDerWaalsContact SG-CD2 3.59Å; R324-F340 VanDerWaalsContact O-CA 3.28Å; R324-F340 WeakPolarHBondContact O-CA 3.48Å; R324-F340 WeakPolarHBondContact O-CB 3.35Å; F340-L342 HydrophobicContact CE2-CD2 4.05Å; F340-W481 VanDerWaalsContact C-CE3 3.43Å; F340-C482 HydrophobicContact CD1-CB 4.08Å; F340-C482 HydrophobicContact CD2-CB 4.02Å; F340-C482 HydrophobicContact CE1-CB 3.68Å; F340-C482 HydrophobicContact CE2-CB 3.62Å; F340-C482 HydrophobicContact CG-CB 4.23Å; F340-C482 HydrophobicContact CZ-CB 3.41Å; F340-C482 VanDerWaalsContact CZ-CB 3.41Å; F340-C482 PolarHBondContact N-O 2.83Å; F340-C482 PolarHBondContact O-N 2.97Å
341	P	74.8	Confident	61.8	Low	19 Å²	19	40 Å²	40	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129	-180	27.2	-33.5	0	0	0	111.9	C314 R324 L471 F476 W481	C314-P341 PolarHBondContact SG-O 3.37Å; R324-P341 WeakPolarHBondContact O-CD 3.38Å; P341-L471 HydrophobicContact CB-CD1 3.87Å; P341-L471 HydrophobicContact CG-CD1 4.17Å; P341-L471 HydrophobicContact CG-CD2 4.23Å; P341-F476 HydrophobicContact CB-CD2 3.46Å; P341-F476 VanDerWaalsContact CB-CD2 3.46Å; P341-F476 HydrophobicContact CB-CE1 4.39Å; P341-F476 HydrophobicContact CB-CE2 3.12Å; P341-F476 HydrophobicContact CB-CG 4.28Å; P341-F476 HydrophobicContact CB-CZ 3.64Å; P341-W481 HydrophobicContact CB-CE3 4.44Å; P341-W481 HydrophobicContact CB-CH2 4.38Å; P341-W481 HydrophobicContact CB-CZ3 4.22Å; P341-W481 HydrophobicContact CG-CZ3 4.4Å
342	L	77.9	Confident	63.9	Low	9 Å²	9	42.5 Å²	42.5	5%	0.047	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-74.6	138.8	172.6	-60.6	172.5	0	0	0	111.5	I291 L313 F340 L344 F476 A480 C482	I291-L342 HydrophobicContact CB-CD1 4.43Å; I291-L342 HydrophobicContact CD1-CD1 3.69Å; I291-L342 HydrophobicContact CD1-CD2 4.03Å; I291-L342 HydrophobicContact CG1-CD1 3.85Å; L313-L342 HydrophobicContact CD1-CD2 3.96Å; L313-L342 HydrophobicContact CD2-CD2 3.93Å; L313-L342 HydrophobicContact CG-CD2 3.71Å; F340-L342 HydrophobicContact CE2-CD2 4.05Å; L342-L344 PolarHBondContact O-N 2.87Å; L342-F476 WeakPolarHBondContact O-CD2 3.16Å; L342-A480 HydrophobicContact CB-CB 4.13Å; L342-A480 WeakPolarHBondContact CB-O 3.27Å; L342-A480 HydrophobicContact CD1-CB 4.23Å; L342-A480 VanDerWaalsContact CG-O 3.24Å; L342-A480 WeakPolarHBondContact CG-O 3.43Å; L342-A480 PolarHBondContact N-O 3Å; L342-C482 HydrophobicContact CD2-CB 3.86Å; L342-C482 HydrophobicContact CG-CB 4.43Å
343	T	73	Confident	65.9	Low	15 Å²	15	40.8 Å²	40.8	9%	0.092	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-75.9	122.3	-179.5	-57	0	0	0	0	111.9	D312 L313 C314 K315 M345 K349	D312-T343 PolarHBondContact O-OG1 3.44Å; L313-T343 VanDerWaalsContact C-OG1 3.31Å; L313-T343 WeakPolarHBondContact O-CB 3.33Å; L313-T343 PolarHBondContact O-N 2.84Å; L313-T343 PolarHBondContact O-OG1 3.07Å; C314-T343 WeakPolarHBondContact CA-OG1 3.18Å; K315-T343 HydrophobicContact CB-CG2 4.06Å; K315-T343 HydrophobicContact CG-CG2 4.19Å; K315-T343 PolarHBondContact N-OG1 3.25Å; T343-M345 PolarHBondContact O-N 2.91Å; T343-K349 HydrophobicContact CG2-CD 4.33Å
344	L	68	Low	67.8	Low	43 Å²	43	43.7 Å²	43.7	23%	0.225	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-65.1	119.8	166.7	-70.8	-179.7	0	0	0	110.5	L342 N346 K349 Y475 F476 N477	L342-L344 PolarHBondContact O-N 2.87Å; L344-N346 PolarHBondContact O-N 2.95Å; L344-K349 PolarHBondContact O-NZ 3.29Å; L344-Y475 WeakPolarHBondContact CB-O 3.44Å; L344-Y475 PolarHBondContact N-O 2.83Å; L344-F476 VanDerWaalsContact CD1-C 3.44Å; L344-F476 WeakPolarHBondContact CD1-O 3.45Å; L344-N477 HydrophobicContact CD1-CB 4.33Å; L344-N477 HydrophobicContact CD2-CB 4.09Å; L344-N477 HydrophobicContact CG-CB 4.45Å
345	M	70.9	Confident	70.2	Confident	16 Å²	16	44.4 Å²	44.4	8%	0.079	25%	0.251	C	S	.	.			trans	-91.2	91.9	-176.8	-121	-54.1	-168.8	0	0	111.3	L281 T343 K349 R350 R353	L281-M345 HydrophobicContact CB-CG 3.98Å; L281-M345 HydrophobicContact CD1-CE 4.13Å; L281-M345 HydrophobicContact CD1-CG 4.03Å; L281-M345 HydrophobicContact CD2-CB 4.3Å; L281-M345 HydrophobicContact CD2-CG 3.86Å; L281-M345 HydrophobicContact CG-CG 4.18Å; T343-M345 PolarHBondContact O-N 2.91Å; M345-K349 HydrophobicContact CE-CB 3.91Å; M345-K349 HydrophobicContact SD-CB 3.35Å; M345-K349 WeakPolarHBondContact SD-CB 3.4Å; M345-K349 HydrophobicContact SD-CD 4.38Å; M345-R350 HydrophobicContact CB-CG 4.48Å; M345-R350 HydrophobicContact CE-CG 4.09Å; M345-R350 HydrophobicContact CG-CG 4.22Å; M345-R350 PolarHBondContact O-NH1 3.46Å; M345-R350 VanDerWaalsContact O-NH1 3.12Å; M345-R350 HydrophobicContact SD-CB 4.2Å; M345-R350 HydrophobicContact SD-CG 3.39Å; M345-R350 WeakPolarHBondContact SD-CG 3.46Å; M345-R350 PolarHBondContact SD-N 2.77Å; M345-R350 VanDerWaalsContact SD-N 3.38Å; M345-R353 HydrophobicContact CE-CB 4.29Å; M345-R353 VanDerWaalsContact CE-CD 3.41Å; M345-R353 HydrophobicContact CE-CG 3.88Å
346	N	71.1	Confident	71.8	Confident	69 Å²	69	43.4 Å²	43.4	37%	0.369	25%	0.249	S	C	.	.			trans	-76.6	170	174.4	70.6	7.8	0	0	0	111.9	L344 A348 K349 R350	L344-N346 PolarHBondContact O-N 2.95Å; N346-A348 VanDerWaalsContact C-N 3.32Å; N346-A348 PolarHBondContact O-N 3.14Å; N346-A348 PolarHBondContact OD1-N 3.38Å; N346-K349 WeakPolarHBondContact OD1-CB 3.28Å; N346-K349 VanDerWaalsContact OD1-CG 3.26Å; N346-K349 WeakPolarHBondContact OD1-CG 3.3Å; N346-K349 PolarHBondContact OD1-N 3.42Å; N346-R350 WeakPolarHBondContact O-CG 3.45Å; N346-R350 PolarHBondContact O-N 3.01Å; N346-R350 VanDerWaalsContact O-N 3.08Å
347	S	71.5	Confident	72.9	Confident	106 Å²	106	48 Å²	48	74%	0.741	26%	0.262	S	S	*	.	H	α-helix	trans	-57.7	-41.5	179.6	43.9	0	0	0	0	112.9	R350 G351	S347-R350 PolarHBondContact O-N 3.44Å; S347-G351 PolarHBondContact O-N 3.33Å
348	A	70.7	Confident	73.6	Confident	60 Å²	60	54.4 Å²	54.4	50%	0.496	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-52.5	179.9	0	0	0	0	0	112.7	N346 R350 G351 Q352	N346-A348 VanDerWaalsContact C-N 3.32Å; N346-A348 PolarHBondContact O-N 3.14Å; N346-A348 PolarHBondContact OD1-N 3.38Å; A348-R350 VanDerWaalsContact C-N 3.29Å; A348-R350 PolarHBondContact O-N 3.09Å; A348-G351 WeakPolarHBondContact O-CA 3Å; A348-G351 PolarHBondContact O-N 3.41Å; A348-G351 VanDerWaalsContact O-N 3.07Å; A348-Q352 PolarHBondContact O-N 3.25Å
349	K	70.1	Confident	74.1	Confident	32 Å²	32	57 Å²	57	14%	0.139	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-37.9	175.3	-71.2	176.1	-171.4	173.3	0	111.9	T343 L344 M345 N346 G351 Q352 R353	T343-K349 HydrophobicContact CG2-CD 4.33Å; L344-K349 PolarHBondContact O-NZ 3.29Å; M345-K349 HydrophobicContact CE-CB 3.91Å; M345-K349 HydrophobicContact SD-CB 3.35Å; M345-K349 WeakPolarHBondContact SD-CB 3.4Å; M345-K349 HydrophobicContact SD-CD 4.38Å; N346-K349 WeakPolarHBondContact OD1-CB 3.28Å; N346-K349 VanDerWaalsContact OD1-CG 3.26Å; N346-K349 WeakPolarHBondContact OD1-CG 3.3Å; N346-K349 PolarHBondContact OD1-N 3.42Å; K349-G351 VanDerWaalsContact C-N 3.33Å; K349-Q352 PolarHBondContact O-N 3.14Å; K349-R353 PolarHBondContact O-N 3.26Å
350	R	72.4	Confident	74.1	Confident	46 Å²	46	59.7 Å²	59.7	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-42.6	174.1	-75.8	-171.1	171.2	124.9	-7.1	111.2	L281 S282 H286 M345 N346 S347 A348 R353 I354	L281-R350 PolarHBondContact O-NE 3.1Å; L281-R350 PolarHBondContact O-NH2 2.75Å; S282-R350 PolarHBondContact O-NH2 2.94Å; H286-R350 PolarHBondContact ND1-NH2 3.2Å; M345-R350 HydrophobicContact CB-CG 4.48Å; M345-R350 HydrophobicContact CE-CG 4.09Å; M345-R350 HydrophobicContact CG-CG 4.22Å; M345-R350 PolarHBondContact O-NH1 3.46Å; M345-R350 VanDerWaalsContact O-NH1 3.12Å; M345-R350 HydrophobicContact SD-CB 4.2Å; M345-R350 HydrophobicContact SD-CG 3.39Å; M345-R350 WeakPolarHBondContact SD-CG 3.46Å; M345-R350 PolarHBondContact SD-N 2.77Å; M345-R350 VanDerWaalsContact SD-N 3.38Å; N346-R350 WeakPolarHBondContact O-CG 3.45Å; N346-R350 PolarHBondContact O-N 3.01Å; N346-R350 VanDerWaalsContact O-N 3.08Å; S347-R350 PolarHBondContact O-N 3.44Å; A348-R350 VanDerWaalsContact C-N 3.29Å; A348-R350 PolarHBondContact O-N 3.09Å; R350-R353 PolarHBondContact O-N 3.02Å; R350-I354 WeakPolarHBondContact O-CD1 3.3Å; R350-I354 VanDerWaalsContact O-CG1 3.24Å; R350-I354 WeakPolarHBondContact O-CG1 3.38Å; R350-I354 PolarHBondContact O-N 3.14Å
351	G	75	Confident	74	Confident	36 Å²	36	62.5 Å²	62.5	37%	0.371	33%	0.329	S	S	.	.	H	α-helix	trans	-57	-49.3	171.9	0	0	0	0	0	112.3	S347 A348 K349 R353 I354 Q355	S347-G351 PolarHBondContact O-N 3.33Å; A348-G351 WeakPolarHBondContact O-CA 3Å; A348-G351 PolarHBondContact O-N 3.41Å; A348-G351 VanDerWaalsContact O-N 3.07Å; K349-G351 VanDerWaalsContact C-N 3.33Å; G351-R353 PolarHBondContact O-N 3.28Å; G351-I354 PolarHBondContact O-N 2.73Å; G351-Q355 WeakPolarHBondContact O-CB 3.25Å; G351-Q355 PolarHBondContact O-N 3.19Å
352	Q	76.4	Confident	74	Confident	129 Å²	129	66 Å²	66	60%	0.603	34%	0.343	S	S	*	.	H	α-helix	trans	-58.8	-45.2	177.4	-69.8	171.4	-28.8	0	0	112.9	A348 K349 I354 Q355 S356	A348-Q352 PolarHBondContact O-N 3.25Å; K349-Q352 PolarHBondContact O-N 3.14Å; Q352-I354 PolarHBondContact O-N 2.92Å; Q352-Q355 PolarHBondContact O-N 3.22Å; Q352-S356 WeakPolarHBondContact O-CB 3.45Å; Q352-S356 PolarHBondContact O-N 2.98Å
353	R	74.1	Confident	73.6	Confident	17 Å²	17	71.1 Å²	71.1	6%	0.064	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-39.9	174.5	-84.8	-169.4	77.1	89.1	-10	112.6	D278 D312 M345 K349 R350 G351 R357	D278-R353 VanDerWaalsContact CG-NH2 3.34Å; D278-R353 IonicContact OD1-CZ 3.58Å; D278-R353 VanDerWaalsContact OD1-CZ 3.25Å; D278-R353 IonicContact OD1-NE 2.71Å; D278-R353 PolarHBondContact OD1-NE 3.26Å; D278-R353 IonicContact OD1-NH2 3.16Å; D278-R353 PolarHBondContact OD1-NH2 2.89Å; D278-R353 IonicContact OD2-NH2 3.06Å; D312-R353 VanDerWaalsContact CG-NH1 3.27Å; D312-R353 IonicContact OD2-CZ 2.83Å; D312-R353 IonicContact OD2-NH1 3.13Å; D312-R353 PolarHBondContact OD2-NH1 3.43Å; M345-R353 HydrophobicContact CE-CB 4.29Å; M345-R353 VanDerWaalsContact CE-CD 3.41Å; M345-R353 HydrophobicContact CE-CG 3.88Å; K349-R353 PolarHBondContact O-N 3.26Å; R350-R353 PolarHBondContact O-N 3.02Å; G351-R353 PolarHBondContact O-N 3.28Å; R353-R357 WeakPolarHBondContact O-CB 3.25Å; R353-R357 WeakPolarHBondContact O-CG 3.36Å; R353-R357 PolarHBondContact O-N 3.37Å
354	I	76.6	Confident	73.3	Confident	106 Å²	106	75.2 Å²	75.2	54%	0.544	38%	0.384	S	S	.	.	H	α-helix	trans	-63.7	-45.1	177.2	-69.7	164.3	0	0	0	110.3	R350 G351 Q352 R357 Y358	R350-I354 WeakPolarHBondContact O-CD1 3.3Å; R350-I354 VanDerWaalsContact O-CG1 3.24Å; R350-I354 WeakPolarHBondContact O-CG1 3.38Å; R350-I354 PolarHBondContact O-N 3.14Å; G351-I354 PolarHBondContact O-N 2.73Å; Q352-I354 PolarHBondContact O-N 2.92Å; I354-R357 PolarHBondContact O-N 3.45Å; I354-Y358 WeakPolarHBondContact O-CB 3.46Å; I354-Y358 PolarHBondContact O-N 2.84Å
355	Q	81	Confident	73	Confident	115 Å²	115	77.3 Å²	77.3	54%	0.537	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-50.6	176.5	179.6	177.9	-14.4	0	0	111.8	G351 Q352 R357 Y358 E359	G351-Q355 WeakPolarHBondContact O-CB 3.25Å; G351-Q355 PolarHBondContact O-N 3.19Å; Q352-Q355 PolarHBondContact O-N 3.22Å; Q355-R357 VanDerWaalsContact C-N 3.3Å; Q355-R357 PolarHBondContact O-N 3.28Å; Q355-Y358 WeakPolarHBondContact O-CA 3.37Å; Q355-Y358 WeakPolarHBondContact O-CB 3.49Å; Q355-Y358 PolarHBondContact O-N 3.01Å; Q355-E359 HydrophobicContact CG-CG 4.46Å; Q355-E359 VanDerWaalsContact CG-OE1 3.28Å; Q355-E359 WeakPolarHBondContact CG-OE1 2.86Å; Q355-E359 PolarHBondContact NE2-OE1 3.1Å; Q355-E359 WeakPolarHBondContact O-CG 3.25Å; Q355-E359 PolarHBondContact O-N 3.05Å
356	S	75.1	Confident	72.4	Confident	32 Å²	32	82 Å²	82	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-60.3	-38.7	178.9	-177.8	0	0	0	0	112.3	Q352 Q360	Q352-S356 WeakPolarHBondContact O-CB 3.45Å; Q352-S356 PolarHBondContact O-N 2.98Å; S356-Q360 WeakPolarHBondContact O-CB 3.42Å; S356-Q360 WeakPolarHBondContact O-CG 2.94Å; S356-Q360 PolarHBondContact O-N 3.23Å
357	R	73.6	Confident	71.5	Confident	112 Å²	112	85.5 Å²	85.5	42%	0.423	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-41.1	171.6	-78.3	-158.5	-113.9	130.3	-3.9	112.5	D278 R353 I354 Q355 S361	D278-R357 IonicContact OD1-CZ 3.24Å; D278-R357 VanDerWaalsContact OD1-CZ 3.28Å; D278-R357 IonicContact OD1-NE 3.39Å; D278-R357 PolarHBondContact OD1-NE 2.83Å; D278-R357 VanDerWaalsContact OD1-NE 3.13Å; D278-R357 IonicContact OD1-NH2 2.67Å; D278-R357 PolarHBondContact OD1-NH2 3.23Å; D278-R357 WeakPolarHBondContact OD2-CD 3.39Å; D278-R357 IonicContact OD2-CZ 2.98Å; D278-R357 VanDerWaalsContact OD2-CZ 3.24Å; D278-R357 IonicContact OD2-NE 3.41Å; D278-R357 PolarHBondContact OD2-NE 3.26Å; D278-R357 IonicContact OD2-NH2 2.67Å; D278-R357 PolarHBondContact OD2-NH2 3.42Å; R353-R357 WeakPolarHBondContact O-CB 3.25Å; R353-R357 WeakPolarHBondContact O-CG 3.36Å; R353-R357 PolarHBondContact O-N 3.37Å; I354-R357 PolarHBondContact O-N 3.45Å; Q355-R357 VanDerWaalsContact C-N 3.3Å; Q355-R357 PolarHBondContact O-N 3.28Å; R357-S361 WeakPolarHBondContact O-CB 3.22Å; R357-S361 PolarHBondContact O-N 2.68Å; R357-S361 PolarHBondContact O-OG 2.92Å
358	Y	77.7	Confident	70.4	Confident	147 Å²	147	85.2 Å²	85.2	58%	0.576	42%	0.424	S	S	*	.	H	α-helix	trans	-60.2	-51.3	176.2	-172.8	-94.8	0	0	0	110.4	I354 Q355 Q360 S361 H362	I354-Y358 WeakPolarHBondContact O-CB 3.46Å; I354-Y358 PolarHBondContact O-N 2.84Å; Q355-Y358 WeakPolarHBondContact O-CA 3.37Å; Q355-Y358 WeakPolarHBondContact O-CB 3.49Å; Q355-Y358 PolarHBondContact O-N 3.01Å; Y358-Q360 PolarHBondContact O-N 3.24Å; Y358-S361 PolarHBondContact O-N 3.46Å; Y358-S361 VanDerWaalsContact O-N 3.14Å; Y358-S361 PolarHBondContact O-OG 2.63Å; Y358-H362 AromaticContact CE1-CD2 3.76Å; Y358-H362 AromaticContact CZ-CD2 3.83Å; Y358-H362 WeakPolarHBondContact O-CB 3.34Å; Y358-H362 PolarHBondContact O-N 3.37Å
359	E	79.2	Confident	69.1	Low	85 Å²	85	91.1 Å²	91.1	40%	0.397	44%	0.438	S	S	.	.	H	α-helix	trans	-55.5	-49.2	176.8	-70.5	165.6	-179.5	0	0	112.2	Q355 S361 H362 Q363	Q355-E359 HydrophobicContact CG-CG 4.46Å; Q355-E359 VanDerWaalsContact CG-OE1 3.28Å; Q355-E359 WeakPolarHBondContact CG-OE1 2.86Å; Q355-E359 PolarHBondContact NE2-OE1 3.1Å; Q355-E359 WeakPolarHBondContact O-CG 3.25Å; Q355-E359 PolarHBondContact O-N 3.05Å; E359-S361 PolarHBondContact O-N 3.25Å; E359-H362 PolarHBondContact O-N 3.34Å; E359-Q363 WeakPolarHBondContact O-CG 3.29Å; E359-Q363 PolarHBondContact O-N 3.24Å
360	Q	72.5	Confident	67.4	Low	60 Å²	60	98.5 Å²	98.5	28%	0.28	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-39	176	-74	-178.2	16.1	0	0	113.4	S356 Y358 H362 K364 V386	S356-Q360 WeakPolarHBondContact O-CB 3.42Å; S356-Q360 WeakPolarHBondContact O-CG 2.94Å; S356-Q360 PolarHBondContact O-N 3.23Å; Y358-Q360 PolarHBondContact O-N 3.24Å; Q360-H362 VanDerWaalsContact C-N 3.32Å; Q360-K364 WeakPolarHBondContact O-CB 3.49Å; Q360-K364 WeakPolarHBondContact O-CG 3.35Å; Q360-K364 PolarHBondContact O-N 3.21Å; Q360-V386 VanDerWaalsContact NE2-CG2 3.28Å
361	S	72.8	Confident	65.6	Low	58 Å²	58	100.3 Å²	100.3	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-38.2	177	74.8	0	0	0	0	111	R357 Y358 E359 K364 T365	R357-S361 WeakPolarHBondContact O-CB 3.22Å; R357-S361 PolarHBondContact O-N 2.68Å; R357-S361 PolarHBondContact O-OG 2.92Å; Y358-S361 PolarHBondContact O-N 3.46Å; Y358-S361 VanDerWaalsContact O-N 3.14Å; Y358-S361 PolarHBondContact O-OG 2.63Å; E359-S361 PolarHBondContact O-N 3.25Å; S361-K364 PolarHBondContact O-N 3.01Å; S361-T365 WeakPolarHBondContact O-CB 3.28Å; S361-T365 PolarHBondContact O-N 3.29Å; S361-T365 PolarHBondContact O-OG1 3.17Å
362	H	74.3	Confident	63.4	Low	92 Å²	92	105.8 Å²	105.8	43%	0.426	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-44.3	178.2	-139.3	-67.8	0	0	0	111.6	Y358 E359 Q360 K364 T365 I366	Y358-H362 AromaticContact CE1-CD2 3.76Å; Y358-H362 AromaticContact CZ-CD2 3.83Å; Y358-H362 WeakPolarHBondContact O-CB 3.34Å; Y358-H362 PolarHBondContact O-N 3.37Å; E359-H362 PolarHBondContact O-N 3.34Å; Q360-H362 VanDerWaalsContact C-N 3.32Å; H362-K364 VanDerWaalsContact C-N 3.34Å; H362-K364 PolarHBondContact O-N 2.82Å; H362-T365 PolarHBondContact O-N 3.06Å; H362-I366 WeakPolarHBondContact O-CD1 3.31Å; H362-I366 VanDerWaalsContact O-CG1 3.26Å; H362-I366 WeakPolarHBondContact O-CG1 3.37Å; H362-I366 PolarHBondContact O-N 3.26Å
363	Q	70.1	Confident	61.3	Low	117 Å²	117	104.9 Å²	104.9	55%	0.547	52%	0.521	S	S	.	.	H	α-helix	trans	-58	-44.6	172.8	-74.1	175	-5.8	0	0	111.8	E359 I366 Q367	E359-Q363 WeakPolarHBondContact O-CG 3.29Å; E359-Q363 PolarHBondContact O-N 3.24Å; Q363-I366 PolarHBondContact O-N 3.15Å; Q363-Q367 WeakPolarHBondContact O-CG 3.45Å; Q363-Q367 PolarHBondContact O-N 2.77Å
364	K	66.5	Low	59.3	Low	101 Å²	101	107.5 Å²	107.5	44%	0.439	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-42.2	175.6	-76.7	167.2	-176.3	155.4	0	112.2	Q360 S361 H362 I366 Q367 H368	Q360-K364 WeakPolarHBondContact O-CB 3.49Å; Q360-K364 WeakPolarHBondContact O-CG 3.35Å; Q360-K364 PolarHBondContact O-N 3.21Å; S361-K364 PolarHBondContact O-N 3.01Å; H362-K364 VanDerWaalsContact C-N 3.34Å; H362-K364 PolarHBondContact O-N 2.82Å; K364-I366 VanDerWaalsContact C-N 3.3Å; K364-I366 PolarHBondContact O-N 3.49Å; K364-Q367 PolarHBondContact O-N 3.32Å; K364-H368 WeakPolarHBondContact O-CB 3.42Å; K364-H368 PolarHBondContact O-N 2.99Å
365	T	61.2	Low	57.2	Low	87 Å²	87	111.7 Å²	111.7	53%	0.534	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-34.9	176.9	-58.8	0	0	0	0	112.1	S361 H362	S361-T365 WeakPolarHBondContact O-CB 3.28Å; S361-T365 PolarHBondContact O-N 3.29Å; S361-T365 PolarHBondContact O-OG1 3.17Å; H362-T365 PolarHBondContact O-N 3.06Å
366	I	58.3	Low	55	Low	114 Å²	114	107.2 Å²	107.2	59%	0.585	54%	0.543	S	S	*	.	H	α-helix	trans	-65.2	-47	173	-68	161.3	0	0	0	110.4	H362 Q363 K364 H368	H362-I366 WeakPolarHBondContact O-CD1 3.31Å; H362-I366 VanDerWaalsContact O-CG1 3.26Å; H362-I366 WeakPolarHBondContact O-CG1 3.37Å; H362-I366 PolarHBondContact O-N 3.26Å; Q363-I366 PolarHBondContact O-N 3.15Å; K364-I366 VanDerWaalsContact C-N 3.3Å; K364-I366 PolarHBondContact O-N 3.49Å; I366-H368 PolarHBondContact O-N 3.49Å
367	Q	52.9	Low	53.4	Low	143 Å²	143	106.8 Å²	106.8	67%	0.668	54%	0.537	S	S	*	.	H	α-helix	trans	-67.9	-30.7	176.5	-69.9	177.6	-0.8	0	0	113.7	Q363 K364 K369	Q363-Q367 WeakPolarHBondContact O-CG 3.45Å; Q363-Q367 PolarHBondContact O-N 2.77Å; K364-Q367 PolarHBondContact O-N 3.32Å; Q367-K369 VanDerWaalsContact C-N 3.27Å; Q367-K369 PolarHBondContact O-N 2.99Å
368	H	48.6	Very low	51.8	Low	101 Å²	101	109.9 Å²	109.9	47%	0.468	55%	0.549	S	S	.	.	H	α-helix	trans	-77.4	-8.7	-173.9	-119.6	-69.8	0	0	0	114.4	K364 I366 E370 R378	K364-H368 WeakPolarHBondContact O-CB 3.42Å; K364-H368 PolarHBondContact O-N 2.99Å; I366-H368 PolarHBondContact O-N 3.49Å; H368-E370 PolarHBondContact O-N 3.1Å; H368-R378 PolarHBondContact NE2-NH2 2.67Å
369	K	42.3	Very low	50.1	Low	184 Å²	184	108.9 Å²	108.9	80%	0.8	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.6	174.6	-78.2	-169.3	176.8	-173.2	0	114.3	Q367	Q367-K369 VanDerWaalsContact C-N 3.27Å; Q367-K369 PolarHBondContact O-N 2.99Å
370	E	35.6	Very low	48.3	Very low	187 Å²	187	107.3 Å²	107.3	87%	0.874	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	4.4	-178.4	-65.8	-171.8	146.8	0	0	115	H368	H368-E370 PolarHBondContact O-N 3.1Å
371	C	33.4	Very low	46.9	Very low	84 Å²	84	113.1 Å²	113.1	57%	0.568	56%	0.563	S	S	*	*			trans	-139.3	91	-178.8	-160.3	0	0	0	0	113.2
372	N	29.7	Very low	45.4	Very low	150 Å²	150	114.8 Å²	114.8	80%	0.802	57%	0.573	S	S	*	*			trans	-70.5	150.8	170.8	-82.1	-21.1	0	0	0	112.2	S374	N372-S374 PolarHBondContact O-N 2.83Å
373	S	31.8	Very low	44.2	Very low	111 Å²	111	113.3 Å²	113.3	78%	0.776	57%	0.565	S	S	*	*			trans	-10	113.4	175.5	56.2	0	0	0	0	117.7
374	S	32.2	Very low	43.1	Very low	72 Å²	72	116.1 Å²	116.1	50%	0.503	58%	0.579	S	S	.	*			trans	-119.6	123	151.3	52.9	0	0	0	0	110	N372	N372-S374 PolarHBondContact O-N 2.83Å
375	H	31.7	Very low	42	Very low	194 Å²	194	113.4 Å²	113.4	90%	0.898	57%	0.569	S	S	*	*			trans	-85.7	111.6	166.5	-70.3	-7.6	0	0	0	108.3
376	G	35.8	Very low	41.1	Very low	21 Å²	21	110.1 Å²	110.1	22%	0.216	55%	0.548	C	S	.	.	S	Bend	trans	177.1	163.1	-174.3	0	0	0	0	0	111	R378	G376-R378 PolarHBondContact O-N 2.97Å
377	F	40.5	Very low	40.2	Very low	22 Å²	22	107.5 Å²	107.5	10%	0.096	54%	0.54	C	S	.	.			trans	-62.2	112.4	178.2	-69.8	-72.8	0	0	0	109.9	P230 G231 P530 L721	P230-F377 HydrophobicContact CB-CD1 3.98Å; P230-F377 HydrophobicContact CB-CE1 3.98Å; G231-F377 WeakPolarHBondContact O-CA 3.19Å; G231-F377 WeakPolarHBondContact O-CD1 3.5Å; F377-P530 HydrophobicContact CE2-CG 4.46Å; F377-P530 HydrophobicContact CZ-CG 4.1Å; F377-L721 HydrophobicContact CD2-CD1 3.64Å; F377-L721 HydrophobicContact CD2-CD2 3.68Å; F377-L721 HydrophobicContact CD2-CG 4.19Å; F377-L721 HydrophobicContact CE2-CD1 3.97Å; F377-L721 HydrophobicContact CE2-CD2 3.53Å; F377-L721 HydrophobicContact CE2-CG 4.38Å
378	R	40.2	Very low	39.6	Very low	178 Å²	178	103.5 Å²	103.5	67%	0.672	54%	0.537	S	S	*	.			trans	-97.1	113.2	-179.4	-169.9	173.1	-176.3	179	-0.2	109.1	H368 G376 L380	H368-R378 PolarHBondContact NE2-NH2 2.67Å; G376-R378 PolarHBondContact O-N 2.97Å; R378-L380 PolarHBondContact O-N 2.8Å
379	Y	42	Very low	39	Very low	125 Å²	125	102.8 Å²	102.8	49%	0.49	54%	0.536	S	S	.	.			trans	-56.7	130.7	170.1	-65.2	-84.2	0	0	0	109.9	K381 V527	Y379-K381 PolarHBondContact O-N 3.13Å; Y379-V527 HydrophobicContact CD1-CB 4.43Å; Y379-V527 HydrophobicContact CD1-CG2 3.68Å; Y379-V527 HydrophobicContact CE1-CB 4.17Å; Y379-V527 HydrophobicContact CE1-CG2 3.92Å
380	L	41.3	Very low	38.7	Very low	53 Å²	53	98.6 Å²	98.6	28%	0.277	53%	0.529	S	S	.	.			trans	-67.5	102.4	171.9	-65.3	-179.9	0	0	0	108.1	A226 Y271 R378	A226-L380 HydrophobicContact CB-CD1 4.36Å; Y271-L380 HydrophobicContact CD1-CD1 4.06Å; Y271-L380 HydrophobicContact CD2-CB 4.45Å; Y271-L380 HydrophobicContact CD2-CD1 4.29Å; Y271-L380 HydrophobicContact CD2-CD2 4.29Å; Y271-L380 HydrophobicContact CE1-CD1 4.02Å; Y271-L380 HydrophobicContact CE2-CD1 4.26Å; Y271-L380 HydrophobicContact CE2-CD2 3.78Å; Y271-L380 HydrophobicContact CE2-CG 4.49Å; Y271-L380 HydrophobicContact CG-CD1 4.2Å; R378-L380 PolarHBondContact O-N 2.8Å
381	K	42.7	Very low	38.5	Very low	181 Å²	181	96.5 Å²	96.5	79%	0.787	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-58.2	133.7	170.6	-71.6	-169.1	175.8	-172.7	0	108.3	Y379 K383	Y379-K381 PolarHBondContact O-N 3.13Å; K381-K383 PolarHBondContact O-N 3.48Å
382	P	41.9	Very low	38.5	Very low	94 Å²	94	99.2 Å²	99.2	61%	0.61	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-54.8	130.4	173.8	22.9	-32.6	0	0	0	109
383	K	49.1	Very low	38.8	Very low	60 Å²	60	103.3 Å²	103.3	26%	0.261	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-82.3	124.2	167.3	-74.8	179.3	178.5	169.3	0	106.6	Y271 E275 K381 I385	Y271-K383 HydrophobicContact CD2-CD 4.47Å; E275-K383 IonicContact OE1-NZ 2.94Å; E275-K383 PolarHBondContact OE1-NZ 3.37Å; E275-K383 IonicContact OE2-NZ 3.72Å; K381-K383 PolarHBondContact O-N 3.48Å; K383-I385 PolarHBondContact O-N 2.71Å
384	E	47.5	Very low	39.2	Very low	177 Å²	177	101.6 Å²	101.6	83%	0.827	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-50.1	137.1	164.4	-68.8	-180	151.4	0	0	108.8	V386	E384-V386 PolarHBondContact O-N 2.84Å
385	I	42.3	Very low	39.4	Very low	44 Å²	44	101.7 Å²	101.7	23%	0.226	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-62.7	129.6	169.5	-44.2	173.5	0	0	0	105.5	R307 K383 S387	R307-I385 VanDerWaalsContact CZ-CD1 3.41Å; K383-I385 PolarHBondContact O-N 2.71Å; I385-S387 PolarHBondContact O-N 2.87Å
386	V	43	Very low	39.9	Very low	18 Å²	18	98 Å²	98	11%	0.109	51%	0.512	C	S	.	.			trans	-70.7	87.4	159	-166.1	0	0	0	0	106.7	Q360 E384	Q360-V386 VanDerWaalsContact NE2-CG2 3.28Å; E384-V386 PolarHBondContact O-N 2.84Å
387	S	40.5	Very low	40.2	Very low	58 Å²	58	104.5 Å²	104.5	41%	0.406	53%	0.531	S	S	.	.			trans	-61.4	129.8	140.8	45.5	0	0	0	0	106.2	I385 I389	I385-S387 PolarHBondContact O-N 2.87Å; S387-I389 CarbonylContact O-C 3.52Å; S387-I389 PolarHBondContact O-N 3.26Å; S387-I389 PolarHBondContact OG-O 3.42Å
388	G	38.7	Very low	40.2	Very low	59 Å²	59	111.7 Å²	111.7	61%	0.608	56%	0.559	S	S	*	*	S	Bend	trans	-59.9	3	168.6	0	0	0	0	0	114.6	D312	D312-G388 PolarHBondContact OD1-N 3.19Å
389	I	37.5	Very low	40.5	Very low	86 Å²	86	105.9 Å²	105.9	44%	0.441	55%	0.549	S	S	.	.			trans	-109.6	96	168.6	-53.1	171.8	0	0	0	106.5	S387 D391	S387-I389 CarbonylContact O-C 3.52Å; S387-I389 PolarHBondContact O-N 3.26Å; S387-I389 PolarHBondContact OG-O 3.42Å; I389-D391 HydrophobicContact CG2-CB 4.46Å; I389-D391 VanDerWaalsContact CG2-CG 3.47Å; I389-D391 VanDerWaalsContact CG2-OD1 3.3Å; I389-D391 WeakPolarHBondContact CG2-OD1 3.33Å; I389-D391 WeakPolarHBondContact CG2-OD2 3.3Å
390	C	34.9	Very low	40.7	Very low	97 Å²	97	102 Å²	102	66%	0.655	54%	0.543	S	S	*	.			trans	-91.7	99	156.5	-173.5	0	0	0	0	105.9	Q392	C390-Q392 PolarHBondContact O-N 3.39Å
391	D	32.9	Very low	40.9	Very low	142 Å²	142	104.5 Å²	104.5	76%	0.759	55%	0.552	S	S	*	*			trans	-72.3	51.7	176.6	-83.7	-30.9	0	0	0	111.8	I389	I389-D391 HydrophobicContact CG2-CB 4.46Å; I389-D391 VanDerWaalsContact CG2-CG 3.47Å; I389-D391 VanDerWaalsContact CG2-OD1 3.3Å; I389-D391 WeakPolarHBondContact CG2-OD1 3.33Å; I389-D391 WeakPolarHBondContact CG2-OD2 3.3Å
392	Q	31.6	Very low	41.1	Very low	142 Å²	142	103.1 Å²	103.1	66%	0.664	55%	0.546	S	S	*	.	S	Bend	trans	-135.2	71.1	177.3	-64.7	-166.6	9.5	0	0	111	C390 S394	C390-Q392 PolarHBondContact O-N 3.39Å; Q392-S394 WeakPolarHBondContact O-CB 2.92Å; Q392-S394 PolarHBondContact O-N 3.29Å; Q392-S394 PolarHBondContact O-OG 3.46Å
393	R	36.6	Very low	41.5	Very low	236 Å²	236	101.8 Å²	101.8	89%	0.891	54%	0.542	S	S	*	.	S	Bend	trans	54.6	7.4	130.2	-62.4	178.9	174.8	178.8	-2.7	119.6
394	S	39.8	Very low	41.6	Very low	74 Å²	74	109.4 Å²	109.4	52%	0.517	57%	0.569	S	S	.	*	S	Bend	trans	-103.3	-37.7	-169.7	47.4	0	0	0	0	113.5	Q392 N396 Y397	Q392-S394 WeakPolarHBondContact O-CB 2.92Å; Q392-S394 PolarHBondContact O-N 3.29Å; Q392-S394 PolarHBondContact O-OG 3.46Å; S394-N396 VanDerWaalsContact C-N 3.32Å; S394-N396 PolarHBondContact O-N 3.05Å; S394-Y397 PolarHBondContact O-N 3.06Å
395	A	37.2	Very low	41.5	Very low	74 Å²	74	107.5 Å²	107.5	61%	0.612	56%	0.561	S	S	*	*	H	α-helix	trans	-62.6	-38.7	171.8	0	0	0	0	0	112	Y397 Y398 A399	A395-Y397 PolarHBondContact O-N 3.37Å; A395-Y398 PolarHBondContact O-N 3.34Å; A395-A399 VanDerWaalsContact O-CB 3.27Å; A395-A399 WeakPolarHBondContact O-CB 3.32Å; A395-A399 PolarHBondContact O-N 2.95Å
396	N	42.1	Very low	41.7	Very low	117 Å²	117	109.2 Å²	109.2	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-63.9	-25.1	177.7	-74.7	-2.8	0	0	0	113.3	S394 A400	S394-N396 VanDerWaalsContact C-N 3.32Å; S394-N396 PolarHBondContact O-N 3.05Å; N396-A400 WeakPolarHBondContact O-CB 3.37Å; N396-A400 PolarHBondContact O-N 3.5Å
397	Y	42.6	Very low	41.5	Very low	157 Å²	157	116.4 Å²	116.4	62%	0.616	61%	0.61	S	S	*	*	H	α-helix	trans	-66.8	-47.9	177.2	-174.5	-97.6	0	0	0	111.6	S394 A395 K401	S394-Y397 PolarHBondContact O-N 3.06Å; A395-Y397 PolarHBondContact O-N 3.37Å; Y397-K401 VanDerWaalsContact O-CB 3.28Å; Y397-K401 WeakPolarHBondContact O-CB 3.26Å; Y397-K401 PolarHBondContact O-N 3.35Å; Y397-K401 VanDerWaalsContact O-N 3.08Å
398	Y	40.4	Very low	41.6	Very low	173 Å²	173	118.6 Å²	118.6	68%	0.678	62%	0.623	S	S	*	*	H	α-helix	trans	-79.5	-33.7	178.3	-71.8	-78.2	0	0	0	112.9	A395 K402	A395-Y398 PolarHBondContact O-N 3.34Å; Y398-K402 VanDerWaalsContact O-CB 3.29Å; Y398-K402 WeakPolarHBondContact O-CB 3.46Å; Y398-K402 PolarHBondContact O-N 2.86Å
399	A	46.7	Very low	41.9	Very low	57 Å²	57	121.4 Å²	121.4	47%	0.471	62%	0.624	S	S	.	*	H	α-helix	trans	-67.9	-44.1	174.4	0	0	0	0	0	112	A395 K402 A403	A395-A399 VanDerWaalsContact O-CB 3.27Å; A395-A399 WeakPolarHBondContact O-CB 3.32Å; A395-A399 PolarHBondContact O-N 2.95Å; A399-K402 PolarHBondContact O-N 3.39Å; A399-A403 VanDerWaalsContact O-CB 3.26Å; A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 3.09Å
400	A	45.4	Very low	42.2	Very low	44 Å²	44	123.7 Å²	123.7	36%	0.364	64%	0.636	S	S	.	*	H	α-helix	trans	-70.7	-32	176	0	0	0	0	0	112.4	N396 R404	N396-A400 WeakPolarHBondContact O-CB 3.37Å; N396-A400 PolarHBondContact O-N 3.5Å; A400-R404 WeakPolarHBondContact O-CB 3.19Å; A400-R404 WeakPolarHBondContact O-CG 3.19Å; A400-R404 PolarHBondContact O-N 3.25Å
401	K	44.9	Very low	42.8	Very low	105 Å²	105	123.5 Å²	123.5	46%	0.457	64%	0.636	S	S	.	*	H	α-helix	trans	-65.4	-47.3	171.4	-173.6	172.4	177.3	179.1	0	111.1	Y397 A403 R404 E405	Y397-K401 VanDerWaalsContact O-CB 3.28Å; Y397-K401 WeakPolarHBondContact O-CB 3.26Å; Y397-K401 PolarHBondContact O-N 3.35Å; Y397-K401 VanDerWaalsContact O-N 3.08Å; K401-A403 VanDerWaalsContact C-N 3.34Å; K401-A403 PolarHBondContact O-N 2.94Å; K401-R404 PolarHBondContact O-N 3.1Å; K401-R404 VanDerWaalsContact O-N 3.16Å; K401-E405 WeakPolarHBondContact CE-OE1 3.45Å; K401-E405 WeakPolarHBondContact CG-OE1 3.24Å; K401-E405 IonicContact NZ-OE1 3.25Å; K401-E405 WeakPolarHBondContact O-CG 3.27Å; K401-E405 PolarHBondContact O-N 3.18Å
402	K	48.4	Very low	43.1	Very low	152 Å²	152	122.5 Å²	122.5	66%	0.661	64%	0.635	S	S	*	*	H	α-helix	trans	-60.6	-41.4	175.5	-168.2	174.9	-177	-179.4	0	112.2	Y398 A399 R404 E405 T406	Y398-K402 VanDerWaalsContact O-CB 3.29Å; Y398-K402 WeakPolarHBondContact O-CB 3.46Å; Y398-K402 PolarHBondContact O-N 2.86Å; A399-K402 PolarHBondContact O-N 3.39Å; K402-R404 VanDerWaalsContact C-N 3.34Å; K402-R404 PolarHBondContact O-N 2.8Å; K402-E405 PolarHBondContact O-N 3.44Å; K402-T406 PolarHBondContact O-N 2.8Å; K402-T406 PolarHBondContact O-OG1 3.19Å; K402-T406 VanDerWaalsContact O-OG1 3.13Å
403	A	49.4	Very low	43.6	Very low	65 Å²	65	122.3 Å²	122.3	54%	0.537	64%	0.636	S	S	.	*	H	α-helix	trans	-69.5	-25.4	176.6	0	0	0	0	0	114	A399 K401 T406	A399-A403 VanDerWaalsContact O-CB 3.26Å; A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 3.09Å; K401-A403 VanDerWaalsContact C-N 3.34Å; K401-A403 PolarHBondContact O-N 2.94Å; A403-T406 WeakPolarHBondContact CA-OG1 3.29Å; A403-T406 PolarHBondContact O-OG1 3.25Å
404	R	51.6	Low	43.7	Very low	220 Å²	220	114.9 Å²	114.9	83%	0.83	62%	0.619	S	S	*	*	H	α-helix	trans	-79.3	-26.3	171.9	-76.3	172.5	-174.9	-171.7	2.2	113.2	A400 K401 K402	A400-R404 WeakPolarHBondContact O-CB 3.19Å; A400-R404 WeakPolarHBondContact O-CG 3.19Å; A400-R404 PolarHBondContact O-N 3.25Å; K401-R404 PolarHBondContact O-N 3.1Å; K401-R404 VanDerWaalsContact O-N 3.16Å; K402-R404 VanDerWaalsContact C-N 3.34Å; K402-R404 PolarHBondContact O-N 2.8Å
405	E	44.6	Very low	43.6	Very low	138 Å²	138	117.8 Å²	117.8	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-90.3	-18.8	179.7	-71.2	169.7	-174.7	0	0	112.5	K401 K402	K401-E405 WeakPolarHBondContact CE-OE1 3.45Å; K401-E405 WeakPolarHBondContact CG-OE1 3.24Å; K401-E405 IonicContact NZ-OE1 3.25Å; K401-E405 WeakPolarHBondContact O-CG 3.27Å; K401-E405 PolarHBondContact O-N 3.18Å; K402-E405 PolarHBondContact O-N 3.44Å
406	T	45.9	Very low	44	Very low	80 Å²	80	121.8 Å²	121.8	49%	0.491	63%	0.633	S	S	.	*	S	Bend	trans	-86.2	111.5	167.6	51.3	0	0	0	0	111.5	K402 A403	K402-T406 PolarHBondContact O-N 2.8Å; K402-T406 PolarHBondContact O-OG1 3.19Å; K402-T406 VanDerWaalsContact O-OG1 3.13Å; A403-T406 WeakPolarHBondContact CA-OG1 3.29Å; A403-T406 PolarHBondContact O-OG1 3.25Å
407	L	40	Very low	44.2	Very low	169 Å²	169	120.6 Å²	120.6	89%	0.885	63%	0.631	S	S	*	*			trans	-54.9	125.1	160.1	-81.9	144.1	0	0	0	109	D409	L407-D409 PolarHBondContact O-N 2.96Å
408	P	43.5	Very low	44.5	Very low	104 Å²	104	118.7 Å²	118.7	68%	0.675	62%	0.623	S	S	*	*			trans	-70.8	127.6	179.4	27.7	-32.9	0	0	0	110.3	L410	P408-L410 PolarHBondContact O-N 3.17Å
409	D	45	Very low	45.4	Very low	117 Å²	117	115.9 Å²	115.9	63%	0.626	61%	0.614	S	S	*	*			trans	-67.4	114.5	166.5	-172.4	-19.6	0	0	0	108.3	L407 S411	L407-D409 PolarHBondContact O-N 2.96Å; D409-S411 PolarHBondContact O-N 3.03Å; D409-S411 VanDerWaalsContact O-N 3.14Å; D409-S411 WeakPolarHBondContact OD1-CB 3.29Å; D409-S411 PolarHBondContact OD1-N 3.26Å; D409-S411 VanDerWaalsContact OD1-N 3.12Å; D409-S411 PolarHBondContact OD1-OG 3.15Å; D409-S411 PolarHBondContact OD2-OG 3.4Å
410	L	43.8	Very low	45.9	Very low	135 Å²	135	116.5 Å²	116.5	71%	0.707	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-70.6	-6.6	-173.9	-68	171.9	0	0	0	113.1	P408 T412	P408-L410 PolarHBondContact O-N 3.17Å; L410-T412 PolarHBondContact O-N 3.05Å
411	S	45.7	Very low	46.6	Very low	93 Å²	93	118.5 Å²	118.5	65%	0.65	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-68.9	-8.7	177.8	62.8	0	0	0	0	114.9	D409	D409-S411 PolarHBondContact O-N 3.03Å; D409-S411 VanDerWaalsContact O-N 3.14Å; D409-S411 WeakPolarHBondContact OD1-CB 3.29Å; D409-S411 PolarHBondContact OD1-N 3.26Å; D409-S411 VanDerWaalsContact OD1-N 3.12Å; D409-S411 PolarHBondContact OD1-OG 3.15Å; D409-S411 PolarHBondContact OD2-OG 3.4Å
412	T	39.4	Very low	47.3	Very low	121 Å²	121	120.8 Å²	120.8	74%	0.742	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-114.3	17	-177.4	68.8	0	0	0	0	115.1	L410	L410-T412 PolarHBondContact O-N 3.05Å
413	M	43	Very low	47.7	Very low	138 Å²	138	121.2 Å²	121.2	68%	0.68	64%	0.639	S	S	*	*	S	Bend	trans	-75.1	142.8	167.7	-68.5	-150.9	76.7	0	0	110.8	T415	M413-T415 PolarHBondContact O-N 3.38Å
414	P	38.7	Very low	47.9	Very low	80 Å²	80	120.1 Å²	120.1	52%	0.519	63%	0.628	S	S	.	*			trans	-65.1	120.5	-178.7	26	-33.7	0	0	0	110.7	Y416	P414-Y416 PolarHBondContact O-N 2.94Å; P414-Y416 VanDerWaalsContact O-N 3.12Å
415	T	38.2	Very low	48	Very low	135 Å²	135	118.4 Å²	118.4	83%	0.828	64%	0.635	S	S	*	*			trans	-64.5	109.9	174	40.7	0	0	0	0	110.4	M413	M413-T415 PolarHBondContact O-N 3.38Å
416	Y	45.5	Very low	48.4	Very low	157 Å²	157	115 Å²	115	62%	0.616	63%	0.627	S	S	*	*			trans	-92.2	134	167.7	57.4	-87.7	0	0	0	109.9	P414 W418	P414-Y416 PolarHBondContact O-N 2.94Å; P414-Y416 VanDerWaalsContact O-N 3.12Å; Y416-W418 HydrophobicContact CD2-CB 4.08Å; Y416-W418 HydrophobicContact CE2-CB 4.11Å; Y416-W418 PolarHBondContact O-N 2.77Å
417	T	45.7	Very low	48.7	Very low	92 Å²	92	118.5 Å²	118.5	56%	0.564	64%	0.643	S	S	*	*			trans	-84.5	102.9	171.4	35.8	0	0	0	0	109.6	V433	T417-V433 WeakPolarHBondContact O-CB 3.36Å; T417-V433 PolarHBondContact O-N 3.43Å
418	W	49.9	Very low	49.3	Very low	118 Å²	118	118 Å²	118	45%	0.447	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.2	120.8	173.4	-169.9	84.5	0	0	0	109.7	Y416 P420 G430	Y416-W418 HydrophobicContact CD2-CB 4.08Å; Y416-W418 HydrophobicContact CE2-CB 4.11Å; Y416-W418 PolarHBondContact O-N 2.77Å; W418-P420 HydrophobicContact CE3-CB 4.35Å; W418-P420 HydrophobicContact CH2-CB 4.04Å; W418-P420 HydrophobicContact CZ3-CB 3.62Å; W418-P420 HydrophobicContact CZ3-CG 4.17Å; W418-G430 VanDerWaalsContact CZ2-CA 3.42Å; W418-G430 PolarHBondContact NE1-O 3.07Å
419	K	58.6	Low	49.6	Very low	113 Å²	113	115 Å²	115	49%	0.491	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	117.8	173	-168.5	179.4	-178.5	-166.2	0	109.6	E422 G430 I431 V433	K419-E422 WeakPolarHBondContact CE-OE1 3.5Å; K419-E422 IonicContact NZ-OE1 3.92Å; K419-E422 PolarHBondContact NZ-OE1 3.33Å; K419-G430 CarbonylContact O-C 3.53Å; K419-G430 VanDerWaalsContact O-CA 3.26Å; K419-G430 WeakPolarHBondContact O-CA 3.36Å; K419-I431 PolarHBondContact N-O 2.84Å; K419-I431 PolarHBondContact O-N 3.35Å; K419-V433 HydrophobicContact CB-CG2 3.53Å
420	P	56.9	Low	50.2	Low	71 Å²	71	110.4 Å²	110.4	46%	0.461	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-61.2	141.9	170.9	24.2	-31	0	0	0	109.9	W418 E422	W418-P420 HydrophobicContact CE3-CB 4.35Å; W418-P420 HydrophobicContact CH2-CB 4.04Å; W418-P420 HydrophobicContact CZ3-CB 3.62Å; W418-P420 HydrophobicContact CZ3-CG 4.17Å; P420-E422 PolarHBondContact O-N 3Å
421	N	60.8	Low	50.8	Low	86 Å²	86	109.3 Å²	109.3	46%	0.46	60%	0.596	S	S	.	*			trans	-80.6	113.5	177.5	-155.4	13.6	0	0	0	108.5	N423 S424 S429	N421-N423 PolarHBondContact O-N 3.41Å; N421-S424 PolarHBondContact O-N 3.02Å; N421-S424 PolarHBondContact O-OG 2.82Å; N421-S429 VanDerWaalsContact CB-O 3.29Å; N421-S429 WeakPolarHBondContact CB-O 3.27Å; N421-S429 PolarHBondContact N-O 3.45Å
422	E	58	Low	51.1	Low	152 Å²	152	108.5 Å²	108.5	71%	0.71	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-7.7	-167.7	-69.1	165.9	-147.4	0	0	114.3	K419 P420	K419-E422 WeakPolarHBondContact CE-OE1 3.5Å; K419-E422 IonicContact NZ-OE1 3.92Å; K419-E422 PolarHBondContact NZ-OE1 3.33Å; P420-E422 PolarHBondContact O-N 3Å
423	N	58.3	Low	51.9	Low	161 Å²	161	107.2 Å²	107.2	86%	0.861	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	16.8	-176.8	-72	-26.4	0	0	0	114.9	N421	N421-N423 PolarHBondContact O-N 3.41Å
424	S	52.8	Low	52.2	Low	42 Å²	42	102.3 Å²	102.3	29%	0.294	57%	0.566	S	S	.	*			trans	-131.3	118.5	177.7	49.3	0	0	0	0	114.3	N421 S426 S429	N421-S424 PolarHBondContact O-N 3.02Å; N421-S424 PolarHBondContact O-OG 2.82Å; S424-S426 PolarHBondContact O-N 3.5Å; S424-S429 WeakPolarHBondContact CB-OG 3.39Å; S424-S429 PolarHBondContact OG-OG 3.11Å
425	N	53.6	Low	52.3	Low	184 Å²	184	103 Å²	103	98%	0.984	57%	0.572	S	S	*	*	S	Bend	trans	-72.1	31.9	176.2	-81.6	-11.1	0	0	0	114.2
426	S	53.8	Low	52.5	Low	67 Å²	67	103.9 Å²	103.9	47%	0.469	57%	0.567	S	S	.	*			trans	-130.1	113	176.4	61.5	0	0	0	0	111	S424 N428 S429	S424-S426 PolarHBondContact O-N 3.5Å; S426-N428 PolarHBondContact O-N 2.96Å; S426-S429 PolarHBondContact O-N 3.33Å; S426-S429 PolarHBondContact O-OG 3.26Å; S426-S429 PolarHBondContact OG-OG 3.04Å
427	N	50.7	Low	52.5	Low	154 Å²	154	104.8 Å²	104.8	82%	0.824	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-6.3	-173.2	-69.5	-7.1	0	0	0	115.7
428	N	54.5	Low	52.6	Low	159 Å²	159	102.5 Å²	102.5	85%	0.85	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	2.1	178.6	-71.5	1.8	0	0	0	114	S426	S426-N428 PolarHBondContact O-N 2.96Å
429	S	48.7	Very low	52.5	Low	39 Å²	39	100.7 Å²	100.7	27%	0.273	57%	0.568	S	S	.	*			trans	-109.8	84.7	-177.9	58.4	0	0	0	0	112.8	N421 S424 S426	N421-S429 VanDerWaalsContact CB-O 3.29Å; N421-S429 WeakPolarHBondContact CB-O 3.27Å; N421-S429 PolarHBondContact N-O 3.45Å; S424-S429 WeakPolarHBondContact CB-OG 3.39Å; S424-S429 PolarHBondContact OG-OG 3.11Å; S426-S429 PolarHBondContact O-N 3.33Å; S426-S429 PolarHBondContact O-OG 3.26Å; S426-S429 PolarHBondContact OG-OG 3.04Å
430	G	58.7	Low	51.9	Low	21 Å²	21	101 Å²	101	22%	0.216	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.9	155.1	170.8	0	0	0	0	0	111.1	W418 K419	W418-G430 VanDerWaalsContact CZ2-CA 3.42Å; W418-G430 PolarHBondContact NE1-O 3.07Å; K419-G430 CarbonylContact O-C 3.53Å; K419-G430 VanDerWaalsContact O-CA 3.26Å; K419-G430 WeakPolarHBondContact O-CA 3.36Å
431	I	54.7	Low	51.7	Low	113 Å²	113	103.3 Å²	103.3	58%	0.579	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.9	133.4	-174.5	-59	175.2	0	0	0	108.6	K419 V433	K419-I431 PolarHBondContact N-O 2.84Å; K419-I431 PolarHBondContact O-N 3.35Å; I431-V433 PolarHBondContact O-N 2.87Å
432	C	53.5	Low	51.2	Low	75 Å²	75	103.5 Å²	103.5	51%	0.507	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.4	113.5	170.2	-163.7	0	0	0	0	108.6
433	V	55.5	Low	50.8	Low	95 Å²	95	97.3 Å²	97.3	58%	0.576	55%	0.552	S	S	*	*			trans	-82.3	-16.7	-170.3	-174.8	0	0	0	0	112.2	T417 K419 I431	T417-V433 WeakPolarHBondContact O-CB 3.36Å; T417-V433 PolarHBondContact O-N 3.43Å; K419-V433 HydrophobicContact CB-CG2 3.53Å; I431-V433 PolarHBondContact O-N 2.87Å
434	G	48.1	Very low	50.5	Low	34 Å²	34	94.2 Å²	94.2	35%	0.351	54%	0.543	S	S	.	.			trans	162.8	162.1	169.4	0	0	0	0	0	113.4
435	S	42.3	Very low	50.5	Low	94 Å²	94	98.6 Å²	98.6	66%	0.657	56%	0.558	S	S	*	*	S	Bend	trans	-125.4	123.3	168.7	61.9	0	0	0	0	109.9
436	E	42.7	Very low	50.3	Low	154 Å²	154	93.6 Å²	93.6	72%	0.72	54%	0.538	S	S	*	.	S	Bend	trans	61.8	158.1	175.7	-57.2	-165	153.1	0	0	116.9
437	F	44.1	Very low	49.9	Very low	176 Å²	176	95.1 Å²	95.1	77%	0.772	54%	0.54	S	S	*	.			trans	-40.8	136.9	-176.2	-77	-103.3	0	0	0	112.7	L439	F437-L439 HydrophobicContact CB-CD1 4.45Å; F437-L439 PolarHBondContact O-N 2.83Å
438	G	48.1	Very low	49.4	Very low	45 Å²	45	100 Å²	100	46%	0.464	55%	0.547	S	S	.	.			trans	-63.5	66.6	177	0	0	0	0	0	113.6	Q441 L442	G438-Q441 WeakPolarHBondContact O-CB 3.39Å; G438-Q441 PolarHBondContact O-N 2.97Å; G438-L442 WeakPolarHBondContact O-CB 3.31Å; G438-L442 PolarHBondContact O-N 2.66Å
439	L	47.5	Very low	49	Very low	79 Å²	79	94.6 Å²	94.6	41%	0.414	53%	0.529	S	S	.	.	H	α-helix	trans	-71	-34.5	-174.7	-96.1	149.4	0	0	0	111.9	F437 Q441 A443 L466	F437-L439 HydrophobicContact CB-CD1 4.45Å; F437-L439 PolarHBondContact O-N 2.83Å; L439-Q441 VanDerWaalsContact C-N 3.31Å; L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.22Å; L439-L466 HydrophobicContact CD2-CD1 4.48Å
440	E	45.5	Very low	48.9	Very low	119 Å²	119	97 Å²	97	56%	0.556	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-40.1	170.8	-67.7	175.8	178.4	0	0	110.2	S444 K455	E440-S444 WeakPolarHBondContact O-CB 3.36Å; E440-S444 PolarHBondContact O-N 3.06Å; E440-S444 PolarHBondContact O-OG 3.01Å; E440-K455 IonicContact OE1-NZ 3.79Å; E440-K455 PolarHBondContact OE1-NZ 3.06Å
441	Q	53.2	Low	48.2	Very low	121 Å²	121	98.3 Å²	98.3	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-71.6	-48.8	177.9	-160.4	166.1	6.7	0	0	111.8	G438 L439 A443 S444 E445	G438-Q441 WeakPolarHBondContact O-CB 3.39Å; G438-Q441 PolarHBondContact O-N 2.97Å; L439-Q441 VanDerWaalsContact C-N 3.31Å; Q441-A443 VanDerWaalsContact C-N 3.33Å; Q441-A443 PolarHBondContact O-N 3.3Å; Q441-S444 PolarHBondContact O-N 2.93Å; Q441-S444 VanDerWaalsContact O-N 3.14Å; Q441-S444 PolarHBondContact O-OG 2.89Å; Q441-E445 WeakPolarHBondContact CG-OE1 3.41Å; Q441-E445 PolarHBondContact NE2-OE1 2.83Å; Q441-E445 WeakPolarHBondContact O-CB 3.48Å; Q441-E445 WeakPolarHBondContact O-CG 3.43Å; Q441-E445 PolarHBondContact O-N 2.68Å
442	L	51.2	Low	47.9	Very low	90 Å²	90	98.4 Å²	98.4	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-57.4	-41.4	173.9	-95.1	163.9	0	0	0	112.7	G438 S446	G438-L442 WeakPolarHBondContact O-CB 3.31Å; G438-L442 PolarHBondContact O-N 2.66Å; L442-S446 WeakPolarHBondContact O-CA 3.49Å; L442-S446 WeakPolarHBondContact O-CB 3.26Å; L442-S446 PolarHBondContact O-N 3.41Å; L442-S446 PolarHBondContact O-OG 3.23Å; L442-S446 VanDerWaalsContact O-OG 3.11Å
443	A	50.1	Low	47.6	Very low	22 Å²	22	97.8 Å²	97.8	18%	0.182	53%	0.527	C	S	.	.	H	α-helix	trans	-63.2	-47.3	174.7	0	0	0	0	0	111.1	L439 Q441 E445 L447	L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.22Å; Q441-A443 VanDerWaalsContact C-N 3.33Å; Q441-A443 PolarHBondContact O-N 3.3Å; A443-E445 PolarHBondContact O-N 2.89Å; A443-L447 PolarHBondContact O-N 3.33Å; A443-L447 VanDerWaalsContact O-N 3.14Å
444	S	51.5	Low	47.3	Very low	96 Å²	96	95.1 Å²	95.1	67%	0.671	51%	0.51	S	S	*	.	H	α-helix	trans	-67.3	-33	-179	73.6	0	0	0	0	114.2	E440 Q441	E440-S444 WeakPolarHBondContact O-CB 3.36Å; E440-S444 PolarHBondContact O-N 3.06Å; E440-S444 PolarHBondContact O-OG 3.01Å; Q441-S444 PolarHBondContact O-N 2.93Å; Q441-S444 VanDerWaalsContact O-N 3.14Å; Q441-S444 PolarHBondContact O-OG 2.89Å
445	E	52.9	Low	47.2	Very low	134 Å²	134	99.2 Å²	99.2	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-90.2	-35.9	-177.2	-69.4	177.2	-176.9	0	0	112.8	Q441 A443	Q441-E445 WeakPolarHBondContact CG-OE1 3.41Å; Q441-E445 PolarHBondContact NE2-OE1 2.83Å; Q441-E445 WeakPolarHBondContact O-CB 3.48Å; Q441-E445 WeakPolarHBondContact O-CG 3.43Å; Q441-E445 PolarHBondContact O-N 2.68Å; A443-E445 PolarHBondContact O-N 2.89Å
446	S	48.7	Very low	47.2	Very low	79 Å²	79	96.1 Å²	96.1	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-104.4	-29.6	-169.1	-48.3	0	0	0	0	114.6	L442	L442-S446 WeakPolarHBondContact O-CA 3.49Å; L442-S446 WeakPolarHBondContact O-CB 3.26Å; L442-S446 PolarHBondContact O-N 3.41Å; L442-S446 PolarHBondContact O-OG 3.23Å; L442-S446 VanDerWaalsContact O-OG 3.11Å
447	L	44.8	Very low	47	Very low	98 Å²	98	94.7 Å²	94.7	51%	0.513	50%	0.5	S	S	.	.			trans	-113.6	82.8	-169.6	-67	170.6	0	0	0	110.7	A443 G449 I451	A443-L447 PolarHBondContact O-N 3.33Å; A443-L447 VanDerWaalsContact O-N 3.14Å; L447-G449 PolarHBondContact O-N 3.02Å; L447-I451 HydrophobicContact CB-CD1 4.02Å; L447-I451 HydrophobicContact CD1-CD1 3.91Å; L447-I451 HydrophobicContact CG-CD1 4.44Å
448	R	40.9	Very low	46.5	Very low	256 Å²	256	96.8 Å²	96.8	97%	0.966	50%	0.503	S	S	*	.			trans	-69.1	87.9	171.6	-68.9	-172.9	179.6	-166.7	0.3	111.1
449	G	46.8	Very low	46	Very low	47 Å²	47	102.4 Å²	102.4	49%	0.485	52%	0.523	S	S	.	.	S	Bend	trans	173.8	169.4	173	0	0	0	0	0	113.1	L447 I451	L447-G449 PolarHBondContact O-N 3.02Å; G449-I451 PolarHBondContact O-N 3.25Å
450	D	46.7	Very low	45.7	Very low	89 Å²	89	102.6 Å²	102.6	48%	0.476	54%	0.543	S	S	.	.			trans	-65	91.2	-174.7	-54.2	-25.2	0	0	0	112.6	F452 N469	D450-F452 HydrophobicContact CB-CE2 4.24Å; D450-N469 HydrophobicContact CB-CB 4.2Å; D450-N469 WeakPolarHBondContact CB-ND2 3.24Å; D450-N469 PolarHBondContact O-N 3.43Å; D450-N469 PolarHBondContact OD2-ND2 3.2Å; D450-N469 VanDerWaalsContact OD2-ND2 3.11Å
451	I	44.2	Very low	45.2	Very low	49 Å²	49	99.6 Å²	99.6	25%	0.251	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	114.1	176	-47.7	-168.3	0	0	0	109.4	L447 G449 L466 L467 T468	L447-I451 HydrophobicContact CB-CD1 4.02Å; L447-I451 HydrophobicContact CD1-CD1 3.91Å; L447-I451 HydrophobicContact CG-CD1 4.44Å; G449-I451 PolarHBondContact O-N 3.25Å; I451-L466 HydrophobicContact CG2-CB 3.92Å; I451-L466 HydrophobicContact CG2-CD2 3.54Å; I451-L466 HydrophobicContact CG2-CG 4.3Å; I451-L467 CarbonylContact C-O 3.4Å; I451-L467 WeakPolarHBondContact CA-O 3.24Å; I451-T468 HydrophobicContact CB-CG2 4.25Å; I451-T468 HydrophobicContact CD1-CG2 3.86Å; I451-T468 HydrophobicContact CG1-CG2 3.78Å; I451-T468 HydrophobicContact CG2-CG2 3.83Å
452	F	48.3	Very low	44.8	Very low	115 Å²	115	102.6 Å²	102.6	50%	0.504	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145	180	-58.3	-86.6	0	0	0	110.6	D450 L466 L467	D450-F452 HydrophobicContact CB-CE2 4.24Å; F452-L466 CarbonylContact O-C 3.42Å; F452-L467 HydrophobicContact CB-CB 4.44Å; F452-L467 PolarHBondContact N-O 3.15Å; F452-L467 PolarHBondContact O-N 3.2Å
453	M	47.4	Very low	44.2	Very low	61 Å²	61	100.5 Å²	100.5	30%	0.3	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	103.8	176.4	-79.9	-76.9	-96.2	0	0	110.4	T464 L466	M453-T464 HydrophobicContact CE-CG2 3.71Å; M453-L466 HydrophobicContact CG-CD2 3.89Å; M453-L466 HydrophobicContact SD-CD2 3.34Å; M453-L466 WeakPolarHBondContact SD-CD2 3.37Å; M453-L466 HydrophobicContact SD-CG 3.69Å
454	D	48.7	Very low	43.8	Very low	40 Å²	40	102.8 Å²	102.8	21%	0.214	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.4	172.3	-164.3	11.9	0	0	0	109.4	K319 A456 R465 L467	K319-D454 WeakPolarHBondContact CE-OD2 3.27Å; K319-D454 IonicContact NZ-OD1 2.84Å; K319-D454 PolarHBondContact NZ-OD1 2.83Å; K319-D454 IonicContact NZ-OD2 2.71Å; K319-D454 PolarHBondContact NZ-OD2 3.4Å; D454-A456 PolarHBondContact O-N 2.86Å; D454-R465 PolarHBondContact N-O 3.25Å; D454-R465 PolarHBondContact O-N 2.99Å; D454-L467 HydrophobicContact CB-CD1 3.67Å; D454-L467 HydrophobicContact CB-CG 3.97Å
455	K	45.5	Very low	43.3	Very low	119 Å²	119	103.4 Å²	103.4	52%	0.517	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	85.1	170.4	-75.6	172.8	-176	164.8	0	106.9	E440 T464	E440-K455 IonicContact OE1-NZ 3.79Å; E440-K455 PolarHBondContact OE1-NZ 3.06Å; K455-T464 HydrophobicContact CD-CG2 4.02Å; K455-T464 HydrophobicContact CG-CG2 3.52Å
456	A	42.7	Very low	42.7	Very low	30 Å²	30	100.7 Å²	100.7	25%	0.248	53%	0.527	C	S	.	.			trans	-59.2	139.5	175.8	0	0	0	0	0	109.9	D454 D461	D454-A456 PolarHBondContact O-N 2.86Å; A456-D461 VanDerWaalsContact O-O 3.12Å
457	T	39.1	Very low	42.2	Very low	123 Å²	123	100.4 Å²	100.4	76%	0.755	52%	0.519	S	S	*	.			trans	-134.1	32.8	-174.2	39.6	0	0	0	0	111.7
458	W	33.1	Very low	42	Very low	221 Å²	221	98.2 Å²	98.2	84%	0.837	51%	0.51	S	S	*	.	S	Bend	trans	-128	132.9	-174.8	-70.9	58.5	0	0	0	109.6	G460	W458-G460 PolarHBondContact O-N 3.16Å
459	D	36.7	Very low	42	Very low	163 Å²	163	90 Å²	90	87%	0.872	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	54.7	177.5	-80.1	9	0	0	0	117.1	D461	D459-D461 PolarHBondContact O-N 2.55Å; D459-D461 VanDerWaalsContact O-N 3.16Å
460	G	40.8	Very low	41.8	Very low	82 Å²	82	93.4 Å²	93.4	85%	0.845	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-5.7	162.5	0	0	0	0	0	115.9	W458	W458-G460 PolarHBondContact O-N 3.16Å
461	D	35.6	Very low	41.8	Very low	57 Å²	57	92.8 Å²	92.8	31%	0.305	49%	0.487	S	S	.	.			trans	-85.3	111.3	170.9	-165.1	-8	0	0	0	110	A456 D459 S463 R465	A456-D461 VanDerWaalsContact O-O 3.12Å; D459-D461 PolarHBondContact O-N 2.55Å; D459-D461 VanDerWaalsContact O-N 3.16Å; D461-S463 VanDerWaalsContact CG-OG 3.23Å; D461-S463 WeakPolarHBondContact OD1-CB 3.48Å; D461-S463 PolarHBondContact OD1-N 2.94Å; D461-S463 PolarHBondContact OD1-OG 2.99Å; D461-S463 PolarHBondContact OD2-OG 3.32Å; D461-R465 IonicContact OD2-CZ 2.85Å; D461-R465 IonicContact OD2-NE 2.64Å; D461-R465 IonicContact OD2-NH2 3.57Å; D461-R465 PolarHBondContact OD2-NH2 3.49Å
462	Q	44.2	Very low	42.1	Very low	184 Å²	184	93.8 Å²	93.8	86%	0.86	49%	0.493	S	S	*	.			trans	-97.3	9.5	173.4	-66.7	-171.8	-12.8	0	0	112.5	T464	Q462-T464 PolarHBondContact O-N 3.03Å
463	S	39.1	Very low	42.2	Very low	46 Å²	46	92.8 Å²	92.8	32%	0.322	50%	0.498	S	S	.	.			trans	-66.4	129	-175.6	61.1	0	0	0	0	112.9	D461 R465	D461-S463 VanDerWaalsContact CG-OG 3.23Å; D461-S463 WeakPolarHBondContact OD1-CB 3.48Å; D461-S463 PolarHBondContact OD1-N 2.94Å; D461-S463 PolarHBondContact OD1-OG 2.99Å; D461-S463 PolarHBondContact OD2-OG 3.32Å; S463-R465 PolarHBondContact O-N 3.45Å; S463-R465 PolarHBondContact OG-NE 3.43Å
464	T	41.9	Very low	42.4	Very low	69 Å²	69	99.9 Å²	99.9	42%	0.423	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	117.5	162.9	24.1	0	0	0	0	109.7	M453 K455 Q462	M453-T464 HydrophobicContact CE-CG2 3.71Å; K455-T464 HydrophobicContact CD-CG2 4.02Å; K455-T464 HydrophobicContact CG-CG2 3.52Å; Q462-T464 PolarHBondContact O-N 3.03Å
465	R	42	Very low	42.6	Very low	109 Å²	109	102.3 Å²	102.3	41%	0.411	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.9	-179.3	-62.4	-177.9	-178.9	-169.4	2.1	111.3	D454 D461 S463 L467	D454-R465 PolarHBondContact N-O 3.25Å; D454-R465 PolarHBondContact O-N 2.99Å; D461-R465 IonicContact OD2-CZ 2.85Å; D461-R465 IonicContact OD2-NE 2.64Å; D461-R465 IonicContact OD2-NH2 3.57Å; D461-R465 PolarHBondContact OD2-NH2 3.49Å; S463-R465 PolarHBondContact O-N 3.45Å; S463-R465 PolarHBondContact OG-NE 3.43Å; R465-L467 PolarHBondContact O-N 3.35Å
466	L	39.4	Very low	43.1	Very low	77 Å²	77	97.1 Å²	97.1	40%	0.403	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	102.3	169.7	-67.2	162.4	0	0	0	109.2	L439 I451 F452 M453	L439-L466 HydrophobicContact CD2-CD1 4.48Å; I451-L466 HydrophobicContact CG2-CB 3.92Å; I451-L466 HydrophobicContact CG2-CD2 3.54Å; I451-L466 HydrophobicContact CG2-CG 4.3Å; F452-L466 CarbonylContact O-C 3.42Å; M453-L466 HydrophobicContact CG-CD2 3.89Å; M453-L466 HydrophobicContact SD-CD2 3.34Å; M453-L466 WeakPolarHBondContact SD-CD2 3.37Å; M453-L466 HydrophobicContact SD-CG 3.69Å
467	L	38.6	Very low	43.9	Very low	73 Å²	73	97.9 Å²	97.9	38%	0.382	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.1	169.5	-66.5	-177.9	0	0	0	109.4	I451 F452 D454 R465	I451-L467 CarbonylContact C-O 3.4Å; I451-L467 WeakPolarHBondContact CA-O 3.24Å; F452-L467 HydrophobicContact CB-CB 4.44Å; F452-L467 PolarHBondContact N-O 3.15Å; F452-L467 PolarHBondContact O-N 3.2Å; D454-L467 HydrophobicContact CB-CD1 3.67Å; D454-L467 HydrophobicContact CB-CG 3.97Å; R465-L467 PolarHBondContact O-N 3.35Å
468	T	39.6	Very low	44.9	Very low	53 Å²	53	97.2 Å²	97.2	33%	0.325	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.2	176.9	56.4	0	0	0	0	110.2	I451 I470	I451-T468 HydrophobicContact CB-CG2 4.25Å; I451-T468 HydrophobicContact CD1-CG2 3.86Å; I451-T468 HydrophobicContact CG1-CG2 3.78Å; I451-T468 HydrophobicContact CG2-CG2 3.83Å; T468-I470 PolarHBondContact O-N 3.1Å; T468-I470 VanDerWaalsContact O-N 3.16Å; T468-I470 PolarHBondContact OG1-O 3.47Å
469	N	41.4	Very low	46.5	Very low	82 Å²	82	92.3 Å²	92.3	44%	0.439	48%	0.483	S	S	.	.	S	Bend	trans	-63.6	-15.7	167.8	-77	-18	0	0	0	112.3	D450	D450-N469 HydrophobicContact CB-CB 4.2Å; D450-N469 WeakPolarHBondContact CB-ND2 3.24Å; D450-N469 PolarHBondContact O-N 3.43Å; D450-N469 PolarHBondContact OD2-ND2 3.2Å; D450-N469 VanDerWaalsContact OD2-ND2 3.11Å
470	I	41.9	Very low	48.3	Very low	120 Å²	120	84.6 Å²	84.6	62%	0.615	44%	0.442	S	S	*	.	S	Bend	trans	-81.4	121.7	172.3	-56.7	166.3	0	0	0	108.6	T468 N472	T468-I470 PolarHBondContact O-N 3.1Å; T468-I470 VanDerWaalsContact O-N 3.16Å; T468-I470 PolarHBondContact OG1-O 3.47Å; I470-N472 PolarHBondContact O-N 3.36Å
471	L	48.4	Very low	50.2	Low	75 Å²	75	83 Å²	83	39%	0.393	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61	123.3	174	-71.9	168.4	0	0	0	109.9	P341 P473 F476 W481	P341-L471 HydrophobicContact CB-CD1 3.87Å; P341-L471 HydrophobicContact CG-CD1 4.17Å; P341-L471 HydrophobicContact CG-CD2 4.23Å; L471-P473 WeakPolarHBondContact O-CD 3.34Å; L471-F476 HydrophobicContact CB-CB 4.04Å; L471-F476 HydrophobicContact CB-CD1 3.68Å; L471-F476 HydrophobicContact CB-CG 4.03Å; L471-F476 HydrophobicContact CD1-CD1 3.52Å; L471-F476 HydrophobicContact CD1-CD2 4.48Å; L471-F476 HydrophobicContact CD1-CE1 3.57Å; L471-F476 HydrophobicContact CD1-CG 4Å; L471-F476 HydrophobicContact CD1-CZ 4.15Å; L471-F476 HydrophobicContact CG-CD1 4.21Å; L471-W481 HydrophobicContact CD1-CH2 3.88Å; L471-W481 HydrophobicContact CD1-CZ2 3.92Å
472	N	49.8	Very low	52.5	Low	70 Å²	70	80.2 Å²	80.2	37%	0.374	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-65.9	118.4	-175.5	-176.8	-35.4	0	0	0	110.9	I470 R474 Y475 F476	I470-N472 PolarHBondContact O-N 3.36Å; N472-R474 PolarHBondContact O-N 3.07Å; N472-R474 WeakPolarHBondContact OD1-CB 3.19Å; N472-R474 PolarHBondContact OD1-N 3.09Å; N472-Y475 HydrophobicContact CB-CD2 4.1Å; N472-Y475 PolarHBondContact O-N 3.03Å; N472-F476 PolarHBondContact O-N 3.35Å
473	P	51	Low	54.3	Low	94 Å²	94	72.9 Å²	72.9	61%	0.61	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-6.9	-173	27.4	-35.8	0	0	0	114.3	L471 Y475 F476	L471-P473 WeakPolarHBondContact O-CD 3.34Å; P473-Y475 VanDerWaalsContact C-N 3.31Å; P473-F476 CarbonylContact C-O 3.6Å; P473-F476 WeakPolarHBondContact CA-O 3.4Å
474	R	49.9	Very low	56.4	Low	210 Å²	210	71.2 Å²	71.2	79%	0.792	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.7	168.5	-60.5	-178.2	179.8	172.9	1	112.8	N472	N472-R474 PolarHBondContact O-N 3.07Å; N472-R474 WeakPolarHBondContact OD1-CB 3.19Å; N472-R474 PolarHBondContact OD1-N 3.09Å
475	Y	53.1	Low	58.3	Low	92 Å²	92	68 Å²	68	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-14.1	-178.4	-59.2	-52.7	0	0	0	113.5	K315 L344 N472 P473	K315-Y475 HydrophobicContact CD-CG 4.44Å; L344-Y475 WeakPolarHBondContact CB-O 3.44Å; L344-Y475 PolarHBondContact N-O 2.83Å; N472-Y475 HydrophobicContact CB-CD2 4.1Å; N472-Y475 PolarHBondContact O-N 3.03Å; P473-Y475 VanDerWaalsContact C-N 3.31Å
476	F	56.3	Low	59.9	Low	10 Å²	10	65 Å²	65	4%	0.044	32%	0.323	C	S	.	.			trans	-130.8	152.6	-179.6	-170.3	-118	0	0	0	111.8	P341 L342 L344 L471 N472 P473 A480 W481	P341-F476 HydrophobicContact CB-CD2 3.46Å; P341-F476 VanDerWaalsContact CB-CD2 3.46Å; P341-F476 HydrophobicContact CB-CE1 4.39Å; P341-F476 HydrophobicContact CB-CE2 3.12Å; P341-F476 HydrophobicContact CB-CG 4.28Å; P341-F476 HydrophobicContact CB-CZ 3.64Å; L342-F476 WeakPolarHBondContact O-CD2 3.16Å; L344-F476 VanDerWaalsContact CD1-C 3.44Å; L344-F476 WeakPolarHBondContact CD1-O 3.45Å; L471-F476 HydrophobicContact CB-CB 4.04Å; L471-F476 HydrophobicContact CB-CD1 3.68Å; L471-F476 HydrophobicContact CB-CG 4.03Å; L471-F476 HydrophobicContact CD1-CD1 3.52Å; L471-F476 HydrophobicContact CD1-CD2 4.48Å; L471-F476 HydrophobicContact CD1-CE1 3.57Å; L471-F476 HydrophobicContact CD1-CG 4Å; L471-F476 HydrophobicContact CD1-CZ 4.15Å; L471-F476 HydrophobicContact CG-CD1 4.21Å; N472-F476 PolarHBondContact O-N 3.35Å; P473-F476 CarbonylContact C-O 3.6Å; P473-F476 WeakPolarHBondContact CA-O 3.4Å; F476-A480 VanDerWaalsContact CE2-O 3.24Å; F476-A480 WeakPolarHBondContact CE2-O 3.36Å; F476-W481 AromaticContact CE1-CE2 3.85Å; F476-W481 AromaticContact CE1-CZ2 3.84Å; F476-W481 HydrophobicContact CE1-CZ2 3.84Å; F476-W481 AromaticContact CE1-NE1 3.78Å; F476-W481 AromaticContact CZ-CD1 3.92Å; F476-W481 AromaticContact CZ-CD2 3.97Å; F476-W481 HydrophobicContact CZ-CD2 3.97Å; F476-W481 AromaticContact CZ-CE2 3.46Å; F476-W481 VanDerWaalsContact CZ-CE2 3.46Å; F476-W481 HydrophobicContact CZ-CG 4.22Å; F476-W481 AromaticContact CZ-CZ2 3.81Å; F476-W481 HydrophobicContact CZ-CZ2 3.81Å; F476-W481 AromaticContact CZ-NE1 3.45Å
477	N	60.4	Low	61.7	Low	46 Å²	46	62.1 Å²	62.1	25%	0.246	31%	0.312	C	S	.	.			trans	-120.1	128.9	167.7	171.6	31.8	0	0	0	107.1	K288 L344 H479 A480	K288-N477 PolarHBondContact O-ND2 3.04Å; L344-N477 HydrophobicContact CD1-CB 4.33Å; L344-N477 HydrophobicContact CD2-CB 4.09Å; L344-N477 HydrophobicContact CG-CB 4.45Å; N477-H479 PolarHBondContact O-N 3.48Å; N477-A480 HydrophobicContact CB-CB 3.92Å; N477-A480 WeakPolarHBondContact O-CB 3.47Å; N477-A480 PolarHBondContact O-N 3.36Å
478	D	60.2	Low	63.8	Low	109 Å²	109	58.8 Å²	58.8	58%	0.583	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.3	-172.6	-63.1	-19.5	0	0	0	114	W481	D478-W481 PolarHBondContact O-NE1 3.12Å
479	H	66	Low	65.8	Low	117 Å²	117	58.9 Å²	58.9	54%	0.542	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-10.2	177.1	-52.1	-57.2	0	0	0	115	P290 N477 W481	P290-H479 VanDerWaalsContact CD-O 3.29Å; P290-H479 WeakPolarHBondContact CD-O 3.34Å; N477-H479 PolarHBondContact O-N 3.48Å; H479-W481 PolarHBondContact O-N 3.17Å
480	A	75.5	Confident	67.8	Low	1 Å²	1	55 Å²	55	1%	0.008	27%	0.27	C	S	.	.			trans	-94	70.3	-171.6	0	0	0	0	0	111.9	L342 F476 N477	L342-A480 HydrophobicContact CB-CB 4.13Å; L342-A480 WeakPolarHBondContact CB-O 3.27Å; L342-A480 HydrophobicContact CD1-CB 4.23Å; L342-A480 VanDerWaalsContact CG-O 3.24Å; L342-A480 WeakPolarHBondContact CG-O 3.43Å; L342-A480 PolarHBondContact N-O 3Å; F476-A480 VanDerWaalsContact CE2-O 3.24Å; F476-A480 WeakPolarHBondContact CE2-O 3.36Å; N477-A480 HydrophobicContact CB-CB 3.92Å; N477-A480 WeakPolarHBondContact O-CB 3.47Å; N477-A480 PolarHBondContact O-N 3.36Å
481	W	79.3	Confident	69.8	Low	48 Å²	48	54.9 Å²	54.9	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	150.4	177.7	-68.9	87.1	0	0	0	112.3	P290 I291 T326 F340 P341 L471 F476 D478 H479 Y483	P290-W481 CarbonylContact C-O 3.58Å; P290-W481 VanDerWaalsContact CA-O 3.31Å; P290-W481 WeakPolarHBondContact CA-O 3.42Å; I291-W481 PolarHBondContact N-O 3.35Å; T326-W481 VanDerWaalsContact OG1-CZ3 3.31Å; T326-W481 WeakPolarHBondContact OG1-CZ3 3.38Å; F340-W481 VanDerWaalsContact C-CE3 3.43Å; P341-W481 HydrophobicContact CB-CE3 4.44Å; P341-W481 HydrophobicContact CB-CH2 4.38Å; P341-W481 HydrophobicContact CB-CZ3 4.22Å; P341-W481 HydrophobicContact CG-CZ3 4.4Å; L471-W481 HydrophobicContact CD1-CH2 3.88Å; L471-W481 HydrophobicContact CD1-CZ2 3.92Å; F476-W481 AromaticContact CE1-CE2 3.85Å; F476-W481 AromaticContact CE1-CZ2 3.84Å; F476-W481 HydrophobicContact CE1-CZ2 3.84Å; F476-W481 AromaticContact CE1-NE1 3.78Å; F476-W481 AromaticContact CZ-CD1 3.92Å; F476-W481 AromaticContact CZ-CD2 3.97Å; F476-W481 HydrophobicContact CZ-CD2 3.97Å; F476-W481 AromaticContact CZ-CE2 3.46Å; F476-W481 VanDerWaalsContact CZ-CE2 3.46Å; F476-W481 HydrophobicContact CZ-CG 4.22Å; F476-W481 AromaticContact CZ-CZ2 3.81Å; F476-W481 HydrophobicContact CZ-CZ2 3.81Å; F476-W481 AromaticContact CZ-NE1 3.45Å; D478-W481 PolarHBondContact O-NE1 3.12Å; H479-W481 PolarHBondContact O-N 3.17Å; W481-Y483 HydrophobicContact CB-CD2 4.18Å; W481-Y483 HydrophobicContact CB-CE1 4.35Å; W481-Y483 HydrophobicContact CB-CE2 3.5Å; W481-Y483 HydrophobicContact CG-CE2 4.46Å
482	C	84.7	Confident	71.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.7	165.3	-169.9	0	0	0	0	109.3	I291 S339 F340 L342	I291-C482 CarbonylContact O-C 3.58Å; I291-C482 WeakPolarHBondContact O-CA 3.43Å; S339-C482 CarbonylContact C-O 3.49Å; S339-C482 WeakPolarHBondContact CA-O 3.43Å; F340-C482 HydrophobicContact CD1-CB 4.08Å; F340-C482 HydrophobicContact CD2-CB 4.02Å; F340-C482 HydrophobicContact CE1-CB 3.68Å; F340-C482 HydrophobicContact CE2-CB 3.62Å; F340-C482 HydrophobicContact CG-CB 4.23Å; F340-C482 HydrophobicContact CZ-CB 3.41Å; F340-C482 VanDerWaalsContact CZ-CB 3.41Å; F340-C482 PolarHBondContact N-O 2.83Å; F340-C482 PolarHBondContact O-N 2.97Å; L342-C482 HydrophobicContact CD2-CB 3.86Å; L342-C482 HydrophobicContact CG-CB 4.43Å
483	Y	82.8	Confident	73.3	Confident	30 Å²	30	50.2 Å²	50.2	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.2	179.7	-62.6	-84.7	0	0	0	111.8	P290 I291 Y292 L293 L337 S339 W481	P290-Y483 HydrophobicContact CB-CD2 4.16Å; P290-Y483 HydrophobicContact CB-CE2 3.76Å; I291-Y483 PolarHBondContact O-N 3.3Å; Y292-Y483 AromaticContact CD1-CD2 3.92Å; Y292-Y483 HydrophobicContact CD1-CD2 3.92Å; Y292-Y483 HydrophobicContact CD1-CG 4.08Å; Y292-Y483 AromaticContact CE1-CD2 3.45Å; Y292-Y483 HydrophobicContact CE1-CD2 3.45Å; Y292-Y483 VanDerWaalsContact CE1-CD2 3.45Å; Y292-Y483 HydrophobicContact CE1-CE2 4.13Å; Y292-Y483 AromaticContact CE1-CG 3.79Å; Y292-Y483 HydrophobicContact CE1-CG 3.79Å; Y292-Y483 HydrophobicContact CE2-CD2 4.42Å; Y292-Y483 AromaticContact CZ-CD2 3.75Å; L293-Y483 PolarHBondContact N-O 3.06Å; L337-Y483 HydrophobicContact CB-CD1 4.5Å; S339-Y483 VanDerWaalsContact CB-CD1 3.48Å; W481-Y483 HydrophobicContact CB-CD2 4.18Å; W481-Y483 HydrophobicContact CB-CE1 4.35Å; W481-Y483 HydrophobicContact CB-CE2 3.5Å; W481-Y483 HydrophobicContact CG-CE2 4.46Å
484	D	82.9	Confident	75.1	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	102.2	165.1	-159.7	37.2	0	0	0	108.8	K301 S302 F305 L338	K301-D484 WeakPolarHBondContact CD-OD1 3.24Å; K301-D484 VanDerWaalsContact CG-OD1 3.25Å; K301-D484 WeakPolarHBondContact CG-OD1 3.37Å; K301-D484 IonicContact NZ-OD1 3.16Å; K301-D484 PolarHBondContact NZ-OD1 3.16Å; K301-D484 IonicContact NZ-OD2 3.62Å; K301-D484 PolarHBondContact NZ-OD2 3.11Å; S302-D484 PolarHBondContact OG-OD2 2.97Å; F305-D484 HydrophobicContact CB-CB 4.49Å; F305-D484 HydrophobicContact CD1-CB 4.48Å; F305-D484 HydrophobicContact CD2-CB 3.63Å; F305-D484 HydrophobicContact CE2-CB 3.82Å; F305-D484 HydrophobicContact CG-CB 3.96Å; F305-D484 HydrophobicContact CZ-CB 4.34Å; L338-D484 HydrophobicContact CB-CB 4.27Å; L338-D484 PolarHBondContact O-N 2.93Å
485	T	81.6	Confident	76.8	Confident	1 Å²	1	37 Å²	37	1%	0.006	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-75.2	149.7	170.4	75.4	0	0	0	0	108.7	V181 Y292 L293 I294 K301 L337	V181-T485 HydrophobicContact CG1-CG2 3.99Å; Y292-T485 HydrophobicContact CD1-CG2 4.18Å; L293-T485 PolarHBondContact O-N 3.22Å; L293-T485 PolarHBondContact O-OG1 3.46Å; I294-T485 HydrophobicContact CG1-CG2 4.47Å; K301-T485 VanDerWaalsContact CD-O 3.3Å; K301-T485 WeakPolarHBondContact CD-O 3.36Å; K301-T485 WeakPolarHBondContact CE-O 3.21Å; K301-T485 PolarHBondContact NZ-O 2.69Å; L337-T485 HydrophobicContact CD1-CG2 4.24Å
486	P	75.7	Confident	78.3	Confident	48 Å²	48	32.7 Å²	32.7	31%	0.312	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-53.2	159	168.9	-26.3	28	0	0	0	113	F177 L337	F177-P486 HydrophobicContact CD2-CB 4.35Å; F177-P486 HydrophobicContact CD2-CG 4.39Å; F177-P486 HydrophobicContact CE1-CB 4.25Å; F177-P486 WeakPolarHBondContact CE1-O 3.47Å; F177-P486 HydrophobicContact CE2-CB 3.48Å; F177-P486 VanDerWaalsContact CE2-CB 3.48Å; F177-P486 VanDerWaalsContact CE2-CD 3.5Å; F177-P486 HydrophobicContact CE2-CG 3.42Å; F177-P486 VanDerWaalsContact CE2-CG 3.42Å; F177-P486 HydrophobicContact CZ-CB 3.4Å; F177-P486 VanDerWaalsContact CZ-CB 3.4Å; F177-P486 HydrophobicContact CZ-CG 3.75Å; F177-P486 WeakPolarHBondContact CZ-O 3.41Å; L337-P486 HydrophobicContact CD2-CG 4.24Å
487	G	77.5	Confident	79.7	Confident	16 Å²	16	33.3 Å²	33.3	17%	0.165	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-80.4	137.1	179.8	0	0	0	0	0	111.2	G295	G295-G487 WeakPolarHBondContact O-CA 3.4Å
488	V	81.8	Confident	80.6	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-79.7	131.8	177.8	-177.6	0	0	0	0	110.4	E174 F177 L178 I207 G295 S296 T297 C490	E174-V488 HydrophobicContact CG-CG1 4.35Å; F177-V488 HydrophobicContact CD1-CG2 3.98Å; F177-V488 HydrophobicContact CE1-CG2 3.74Å; L178-V488 HydrophobicContact CD1-CG1 4.35Å; L178-V488 HydrophobicContact CD2-CG1 4.46Å; L178-V488 HydrophobicContact CD2-CG2 3.93Å; L178-V488 HydrophobicContact CG-CG1 4.42Å; L178-V488 HydrophobicContact CG-CG2 4.48Å; I207-V488 HydrophobicContact CD1-CB 3.97Å; I207-V488 HydrophobicContact CD1-CG2 3.6Å; I207-V488 HydrophobicContact CG1-CB 3.98Å; I207-V488 HydrophobicContact CG1-CG1 4.27Å; I207-V488 HydrophobicContact CG1-CG2 4.14Å; G295-V488 PolarHBondContact O-N 3.08Å; G295-V488 VanDerWaalsContact O-N 3.08Å; S296-V488 CarbonylContact C-O 3.56Å; S296-V488 WeakPolarHBondContact CA-O 3.17Å; S296-V488 WeakPolarHBondContact CB-O 3.45Å; T297-V488 PolarHBondContact N-O 3.5Å; V488-C490 PolarHBondContact O-N 2.77Å; V488-C490 VanDerWaalsContact O-N 3.17Å
489	F	81.5	Confident	81.5	Confident	54 Å²	54	27.7 Å²	27.7	24%	0.237	14%	0.138	C	C	.	.			trans	-83.4	84.6	175.7	-65.5	-69.9	0	0	0	111.5	T297 K491 P608	T297-F489 HydrophobicContact CG2-CD1 3.53Å; T297-F489 HydrophobicContact CG2-CE1 3.36Å; T297-F489 HydrophobicContact CG2-CG 4.24Å; T297-F489 HydrophobicContact CG2-CZ 3.94Å; T297-F489 WeakPolarHBondContact OG1-CD1 3.11Å; F489-K491 PolarHBondContact O-N 3.22Å; F489-P608 HydrophobicContact CD1-CB 3.4Å; F489-P608 VanDerWaalsContact CD1-CB 3.4Å; F489-P608 HydrophobicContact CD1-CG 4.01Å; F489-P608 HydrophobicContact CD2-CB 4.24Å; F489-P608 HydrophobicContact CE1-CB 3.22Å; F489-P608 HydrophobicContact CE1-CG 3.4Å; F489-P608 VanDerWaalsContact CE1-CG 3.4Å; F489-P608 HydrophobicContact CE2-CB 4.11Å; F489-P608 HydrophobicContact CG-CB 3.92Å; F489-P608 HydrophobicContact CZ-CB 3.61Å; F489-P608 HydrophobicContact CZ-CG 3.87Å
490	C	83.3	Confident	81.8	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.14	C	C	.	.			trans	-69.5	125.2	174.9	-60.5	0	0	0	0	111.3	V488 D492 Q493 N496	V488-C490 PolarHBondContact O-N 2.77Å; V488-C490 VanDerWaalsContact O-N 3.17Å; C490-D492 VanDerWaalsContact C-N 3.33Å; C490-D492 PolarHBondContact O-N 3Å; C490-Q493 HydrophobicContact CB-CB 4.48Å; C490-Q493 WeakPolarHBondContact O-CB 3.18Å; C490-Q493 PolarHBondContact O-N 2.67Å; C490-Q493 VanDerWaalsContact O-N 3.15Å; C490-N496 PolarHBondContact N-ND2 2.76Å; C490-N496 PolarHBondContact O-ND2 2.67Å
491	K	83.6	Confident	81.5	Confident	118 Å²	118	31 Å²	31	51%	0.513	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-33.5	179.8	-65.4	171.1	-177.3	155.1	0	113.7	E174 F489 Q493 Y497	E174-K491 WeakPolarHBondContact OE2-CE 3.31Å; E174-K491 IonicContact OE2-NZ 3.22Å; E174-K491 PolarHBondContact OE2-NZ 3.41Å; F489-K491 PolarHBondContact O-N 3.22Å; K491-Q493 PolarHBondContact O-N 3.14Å; K491-Q493 VanDerWaalsContact O-N 3.13Å; K491-Y497 WeakPolarHBondContact O-CE2 3.34Å
492	D	85.9	Confident	81.4	Confident	46 Å²	46	28.7 Å²	28.7	25%	0.246	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14	176.7	-60.9	-43.9	0	0	0	114.2	H204 R251 C490 I494 S639 G702	H204-D492 HydrophobicContact CB-CB 4.35Å; R251-D492 IonicContact CZ-OD2 3.63Å; R251-D492 IonicContact NH1-OD2 2.75Å; R251-D492 PolarHBondContact NH1-OD2 3.37Å; R251-D492 IonicContact NH2-OD2 2.74Å; R251-D492 PolarHBondContact NH2-OD2 3.36Å; C490-D492 VanDerWaalsContact C-N 3.33Å; C490-D492 PolarHBondContact O-N 3Å; D492-I494 PolarHBondContact O-N 3.32Å; D492-S639 WeakPolarHBondContact O-CB 3.48Å; D492-G702 WeakPolarHBondContact O-CA 3.14Å
493	Q	87.6	Confident	80.9	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.165	C	C	.	.			trans	-93.7	94.5	-178.9	-179.9	178.6	-11.4	0	0	109.2	S296 T297 C490 K491 L495 N496	S296-Q493 PolarHBondContact OG-OE1 3.29Å; T297-Q493 PolarHBondContact O-NE2 2.95Å; T297-Q493 PolarHBondContact O-OE1 3.34Å; C490-Q493 HydrophobicContact CB-CB 4.48Å; C490-Q493 WeakPolarHBondContact O-CB 3.18Å; C490-Q493 PolarHBondContact O-N 2.67Å; C490-Q493 VanDerWaalsContact O-N 3.15Å; K491-Q493 PolarHBondContact O-N 3.14Å; K491-Q493 VanDerWaalsContact O-N 3.13Å; Q493-L495 HydrophobicContact CG-CB 4.4Å; Q493-L495 PolarHBondContact O-N 3.16Å; Q493-N496 WeakPolarHBondContact O-CB 3.49Å; Q493-N496 PolarHBondContact O-N 3.23Å
494	I	87.8	Confident	80.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-50.6	-29.5	-175.6	-70.4	150	0	0	0	113.6	D492 N496 Y497 F498 L612 S639 T697 P698 L701	D492-I494 PolarHBondContact O-N 3.32Å; I494-N496 PolarHBondContact O-N 3.06Å; I494-N496 VanDerWaalsContact O-N 3.12Å; I494-Y497 PolarHBondContact O-N 3.13Å; I494-Y497 VanDerWaalsContact O-N 3.12Å; I494-F498 HydrophobicContact CG2-CE2 4.24Å; I494-L612 HydrophobicContact CG2-CD1 4.32Å; I494-S639 VanDerWaalsContact CD1-O 3.23Å; I494-S639 WeakPolarHBondContact CD1-O 3.35Å; I494-T697 HydrophobicContact CD1-CG2 3.81Å; I494-P698 HydrophobicContact CG2-CG 4.04Å; I494-L701 WeakPolarHBondContact CD1-O 3.22Å
495	L	85.3	Confident	79.8	Confident	25 Å²	25	35.4 Å²	35.4	13%	0.131	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.3	-17.6	175.1	-61.2	179.7	0	0	0	114.2	Q493 Y497 F498 L503	Q493-L495 HydrophobicContact CG-CB 4.4Å; Q493-L495 PolarHBondContact O-N 3.16Å; L495-Y497 VanDerWaalsContact C-N 3.31Å; L495-F498 HydrophobicContact CD2-CD2 4.23Å; L495-F498 HydrophobicContact CD2-CE2 4.43Å; L495-F498 PolarHBondContact O-N 3.28Å; L495-L503 HydrophobicContact CB-CD2 4.05Å; L495-L503 HydrophobicContact CD2-CD2 4.02Å
496	N	85.1	Confident	79.4	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.016	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-83.7	-3.7	178	-61.3	-21.4	0	0	0	113.4	T297 C490 Q493 I494 P608 C609	T297-N496 PolarHBondContact OG1-ND2 3.44Å; T297-N496 PolarHBondContact OG1-OD1 3.08Å; C490-N496 PolarHBondContact N-ND2 2.76Å; C490-N496 PolarHBondContact O-ND2 2.67Å; Q493-N496 WeakPolarHBondContact O-CB 3.49Å; Q493-N496 PolarHBondContact O-N 3.23Å; I494-N496 PolarHBondContact O-N 3.06Å; I494-N496 VanDerWaalsContact O-N 3.12Å; N496-P608 VanDerWaalsContact O-CD 3.25Å; N496-P608 WeakPolarHBondContact O-CD 3.14Å; N496-C609 HydrophobicContact CB-CB 4.4Å; N496-C609 WeakPolarHBondContact CB-SG 3.26Å; N496-C609 PolarHBondContact O-N 3.07Å
497	Y	84.8	Confident	79	Confident	22 Å²	22	36.4 Å²	36.4	9%	0.086	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-91.4	-3.8	168.6	-66.8	-87.6	0	0	0	113.1	K491 I494 L495 G607 C609 V611 L612 L701	K491-Y497 WeakPolarHBondContact O-CE2 3.34Å; I494-Y497 PolarHBondContact O-N 3.13Å; I494-Y497 VanDerWaalsContact O-N 3.12Å; L495-Y497 VanDerWaalsContact C-N 3.31Å; Y497-G607 WeakPolarHBondContact O-CA 3.47Å; Y497-G607 PolarHBondContact O-N 2.85Å; Y497-C609 HydrophobicContact CD1-CB 3.81Å; Y497-C609 HydrophobicContact CD2-CB 4.2Å; Y497-C609 HydrophobicContact CE1-CB 3.56Å; Y497-C609 VanDerWaalsContact CE1-O 3.24Å; Y497-C609 WeakPolarHBondContact CE1-O 3.35Å; Y497-C609 HydrophobicContact CE2-CB 3.97Å; Y497-C609 HydrophobicContact CG-CB 4.12Å; Y497-V611 WeakPolarHBondContact CD1-O 3.19Å; Y497-L612 HydrophobicContact CG-CD1 4.24Å; Y497-L701 HydrophobicContact CE2-CD1 3.83Å; Y497-L701 WeakPolarHBondContact OH-CD1 3.46Å
498	F	80.5	Confident	78.2	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.013	21%	0.207	C	C	.	.	S	Bend	trans	-98	144	177.3	-63.8	-49.1	0	0	0	112.2	I494 L495 L502 L503 I506 L546 L612	I494-F498 HydrophobicContact CG2-CE2 4.24Å; L495-F498 HydrophobicContact CD2-CD2 4.23Å; L495-F498 HydrophobicContact CD2-CE2 4.43Å; L495-F498 PolarHBondContact O-N 3.28Å; F498-L502 HydrophobicContact CB-CD2 4.17Å; F498-L502 HydrophobicContact CB-CG 4.26Å; F498-L502 HydrophobicContact CD1-CD2 3.31Å; F498-L502 HydrophobicContact CD1-CG 4.07Å; F498-L502 HydrophobicContact CE1-CD2 3.96Å; F498-L502 HydrophobicContact CG-CD2 3.97Å; F498-L502 HydrophobicContact CG-CG 4.27Å; F498-L503 HydrophobicContact CB-CD2 3.87Å; F498-L503 HydrophobicContact CB-CG 3.83Å; F498-L503 HydrophobicContact CD2-CD2 4.17Å; F498-I506 HydrophobicContact CD2-CD1 4.1Å; F498-I506 HydrophobicContact CE2-CD1 4.34Å; F498-I506 HydrophobicContact CG-CD1 4.42Å; F498-L546 HydrophobicContact CE2-CD1 4.16Å; F498-L546 HydrophobicContact CE2-CD2 3.64Å; F498-L546 HydrophobicContact CZ-CD2 3.37Å; F498-L612 HydrophobicContact CE1-CD1 3.97Å; F498-L612 HydrophobicContact CE1-CD2 3.89Å; F498-L612 HydrophobicContact CE1-CG 4.44Å; F498-L612 HydrophobicContact CZ-CD1 3.92Å; F498-L612 HydrophobicContact CZ-CD2 4.15Å
499	S	78.1	Confident	77.3	Confident	34 Å²	34	41 Å²	41	24%	0.238	22%	0.216	C	C	.	.			trans	-66.3	156.1	169.6	69.3	0	0	0	0	111	N501 L502 L503	S499-N501 VanDerWaalsContact C-N 3.27Å; S499-N501 PolarHBondContact O-N 3.43Å; S499-L502 PolarHBondContact O-N 3.38Å; S499-L502 VanDerWaalsContact O-N 3.15Å; S499-L502 WeakPolarHBondContact OG-CB 3.45Å; S499-L502 PolarHBondContact OG-N 2.92Å; S499-L503 PolarHBondContact O-N 2.85Å
500	S	72.3	Confident	76.1	Confident	85 Å²	85	41 Å²	41	59%	0.594	22%	0.216	S	C	*	.	H	α-helix	trans	-56.7	-39.7	178.1	50.6	0	0	0	0	112.9	L503 H504	S500-L503 PolarHBondContact O-N 2.76Å; S500-H504 WeakPolarHBondContact O-CB 3.26Å; S500-H504 PolarHBondContact O-N 3.05Å
501	N	69.5	Low	74.1	Confident	102 Å²	102	41.3 Å²	41.3	55%	0.545	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-46.7	176.8	-66	-1.9	0	0	0	111	S499 H504 S505	S499-N501 VanDerWaalsContact C-N 3.27Å; S499-N501 PolarHBondContact O-N 3.43Å; N501-H504 PolarHBondContact O-N 3.46Å; N501-S505 PolarHBondContact O-N 2.65Å; N501-S505 PolarHBondContact O-OG 2.9Å; N501-S505 VanDerWaalsContact O-OG 3.12Å
502	L	77	Confident	72.2	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-68.4	-40.1	179	175.6	54.4	0	0	0	111.9	F498 S499 H504 S505 I506 I591 Y602 T605	F498-L502 HydrophobicContact CB-CD2 4.17Å; F498-L502 HydrophobicContact CB-CG 4.26Å; F498-L502 HydrophobicContact CD1-CD2 3.31Å; F498-L502 HydrophobicContact CD1-CG 4.07Å; F498-L502 HydrophobicContact CE1-CD2 3.96Å; F498-L502 HydrophobicContact CG-CD2 3.97Å; F498-L502 HydrophobicContact CG-CG 4.27Å; S499-L502 PolarHBondContact O-N 3.38Å; S499-L502 VanDerWaalsContact O-N 3.15Å; S499-L502 WeakPolarHBondContact OG-CB 3.45Å; S499-L502 PolarHBondContact OG-N 2.92Å; L502-H504 VanDerWaalsContact C-N 3.3Å; L502-H504 PolarHBondContact O-N 2.83Å; L502-S505 WeakPolarHBondContact O-CB 3.48Å; L502-S505 PolarHBondContact O-N 2.75Å; L502-I506 HydrophobicContact CD1-CD1 3.85Å; L502-I506 HydrophobicContact CD1-CG1 4.01Å; L502-I506 HydrophobicContact CG-CD1 3.86Å; L502-I506 HydrophobicContact CG-CG1 4.49Å; L502-I506 WeakPolarHBondContact O-CD1 3.45Å; L502-I506 WeakPolarHBondContact O-CG1 3.43Å; L502-I506 PolarHBondContact O-N 3.22Å; L502-I591 HydrophobicContact CD1-CG1 4.04Å; L502-I591 HydrophobicContact CD2-CD1 4.38Å; L502-Y602 HydrophobicContact CD1-CD1 3.93Å; L502-Y602 HydrophobicContact CD1-CE1 3.75Å; L502-Y602 HydrophobicContact CD2-CD1 3.8Å; L502-Y602 HydrophobicContact CD2-CE1 4.47Å; L502-T605 HydrophobicContact CD2-CG2 4.24Å
503	L	75.1	Confident	70	Confident	31 Å²	31	43.2 Å²	43.2	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-44.2	171.8	-73.5	174.3	0	0	0	111.7	L495 F498 S499 S500 I506 T507	L495-L503 HydrophobicContact CB-CD2 4.05Å; L495-L503 HydrophobicContact CD2-CD2 4.02Å; F498-L503 HydrophobicContact CB-CD2 3.87Å; F498-L503 HydrophobicContact CB-CG 3.83Å; F498-L503 HydrophobicContact CD2-CD2 4.17Å; S499-L503 PolarHBondContact O-N 2.85Å; S500-L503 PolarHBondContact O-N 2.76Å; L503-I506 PolarHBondContact O-N 3.22Å; L503-T507 PolarHBondContact O-N 2.64Å; L503-T507 PolarHBondContact O-OG1 3.23Å
504	H	70.9	Confident	67.7	Low	114 Å²	114	45.7 Å²	45.7	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-39.4	176.2	-164.5	-61.8	0	0	0	112.2	S500 N501 L502 T507 N508	S500-H504 WeakPolarHBondContact O-CB 3.26Å; S500-H504 PolarHBondContact O-N 3.05Å; N501-H504 PolarHBondContact O-N 3.46Å; L502-H504 VanDerWaalsContact C-N 3.3Å; L502-H504 PolarHBondContact O-N 2.83Å; H504-T507 WeakPolarHBondContact CA-OG1 3.42Å; H504-T507 PolarHBondContact O-N 2.84Å; H504-T507 PolarHBondContact O-OG1 3.49Å; H504-N508 PolarHBondContact CE1-ND2 2.93Å; H504-N508 PolarHBondContact CE1-OD1 3.22Å; H504-N508 PolarHBondContact ND1-ND2 2.74Å; H504-N508 PolarHBondContact ND1-OD1 3.48Å; H504-N508 WeakPolarHBondContact O-CB 3.36Å; H504-N508 VanDerWaalsContact O-CG 3.29Å; H504-N508 PolarHBondContact O-N 3.45Å; H504-N508 PolarHBondContact O-OD1 3.32Å
505	S	72	Confident	65.3	Low	36 Å²	36	50.1 Å²	50.1	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-41	172.7	-64	0	0	0	0	111.8	N501 L502 N508 Y509	N501-S505 PolarHBondContact O-N 2.65Å; N501-S505 PolarHBondContact O-OG 2.9Å; N501-S505 VanDerWaalsContact O-OG 3.12Å; L502-S505 WeakPolarHBondContact O-CB 3.48Å; L502-S505 PolarHBondContact O-N 2.75Å; S505-N508 PolarHBondContact O-N 3.36Å; S505-Y509 VanDerWaalsContact O-CB 3.26Å; S505-Y509 WeakPolarHBondContact O-CB 3.3Å; S505-Y509 PolarHBondContact O-N 3.49Å
506	I	71.9	Confident	62.9	Low	5 Å²	5	50.7 Å²	50.7	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-40.8	176.6	-66.6	160.9	0	0	0	111.1	F498 L502 L503 K510 M588 P589	F498-I506 HydrophobicContact CD2-CD1 4.1Å; F498-I506 HydrophobicContact CE2-CD1 4.34Å; F498-I506 HydrophobicContact CG-CD1 4.42Å; L502-I506 HydrophobicContact CD1-CD1 3.85Å; L502-I506 HydrophobicContact CD1-CG1 4.01Å; L502-I506 HydrophobicContact CG-CD1 3.86Å; L502-I506 HydrophobicContact CG-CG1 4.49Å; L502-I506 WeakPolarHBondContact O-CD1 3.45Å; L502-I506 WeakPolarHBondContact O-CG1 3.43Å; L502-I506 PolarHBondContact O-N 3.22Å; L503-I506 PolarHBondContact O-N 3.22Å; I506-K510 VanDerWaalsContact O-CG 3.3Å; I506-K510 WeakPolarHBondContact O-CG 3.29Å; I506-K510 PolarHBondContact O-N 3.19Å; I506-M588 HydrophobicContact CB-CE 4.49Å; I506-M588 HydrophobicContact CD1-CE 3.54Å; I506-M588 HydrophobicContact CD1-SD 3.91Å; I506-M588 HydrophobicContact CG1-CE 3.64Å; I506-M588 HydrophobicContact CG1-SD 4.06Å; I506-M588 HydrophobicContact CG2-CE 3.99Å; I506-P589 HydrophobicContact CG1-CG 4.03Å
507	T	66.8	Low	60.6	Low	65 Å²	65	55.5 Å²	55.5	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-37.8	174.6	49.4	0	0	0	0	112.3	L503 H504	L503-T507 PolarHBondContact O-N 2.64Å; L503-T507 PolarHBondContact O-OG1 3.23Å; H504-T507 WeakPolarHBondContact CA-OG1 3.42Å; H504-T507 PolarHBondContact O-N 2.84Å; H504-T507 PolarHBondContact O-OG1 3.49Å
508	N	62.4	Low	58.1	Low	62 Å²	62	60.7 Å²	60.7	33%	0.332	35%	0.352	S	S	.	.	H	α-helix	trans	-71.9	-37.7	177	-73.9	12.5	0	0	0	112.4	H504 S505 K510 S511 E512	H504-N508 PolarHBondContact CE1-ND2 2.93Å; H504-N508 PolarHBondContact CE1-OD1 3.22Å; H504-N508 PolarHBondContact ND1-ND2 2.74Å; H504-N508 PolarHBondContact ND1-OD1 3.48Å; H504-N508 WeakPolarHBondContact O-CB 3.36Å; H504-N508 VanDerWaalsContact O-CG 3.29Å; H504-N508 PolarHBondContact O-N 3.45Å; H504-N508 PolarHBondContact O-OD1 3.32Å; S505-N508 PolarHBondContact O-N 3.36Å; N508-K510 VanDerWaalsContact C-N 3.26Å; N508-K510 PolarHBondContact O-N 3.26Å; N508-S511 WeakPolarHBondContact O-CA 3.11Å; N508-S511 WeakPolarHBondContact O-CB 3.42Å; N508-S511 PolarHBondContact O-N 3.33Å; N508-S511 PolarHBondContact O-OG 2.71Å; N508-E512 PolarHBondContact O-N 2.92Å
509	Y	61.9	Low	55.9	Low	54 Å²	54	69.9 Å²	69.9	21%	0.212	39%	0.387	C	S	.	.	H	α-helix	trans	-61.1	-35.9	177.3	-171.7	-110	0	0	0	112.6	S505 S511 E512 G513 P567 F586 P589	S505-Y509 VanDerWaalsContact O-CB 3.26Å; S505-Y509 WeakPolarHBondContact O-CB 3.3Å; S505-Y509 PolarHBondContact O-N 3.49Å; Y509-S511 PolarHBondContact O-N 3.38Å; Y509-E512 PolarHBondContact O-N 3.07Å; Y509-G513 PolarHBondContact O-N 3.11Å; Y509-P567 HydrophobicContact CE1-CG 4.3Å; Y509-F586 PolarHBondContact OH-O 3.41Å; Y509-P589 HydrophobicContact CD1-CB 4.46Å; Y509-P589 HydrophobicContact CD1-CG 4.32Å; Y509-P589 HydrophobicContact CD2-CB 3.64Å; Y509-P589 HydrophobicContact CD2-CG 4.33Å; Y509-P589 HydrophobicContact CE2-CB 4.33Å; Y509-P589 HydrophobicContact CG-CB 3.7Å; Y509-P589 HydrophobicContact CG-CG 3.87Å
510	K	56	Low	53.8	Low	52 Å²	52	74.2 Å²	74.2	23%	0.226	41%	0.414	C	S	.	.	H	α-helix	trans	-60.4	-24.3	170.6	-67	170.3	177.8	-178.2	0	112.8	I506 N508 H565	I506-K510 VanDerWaalsContact O-CG 3.3Å; I506-K510 WeakPolarHBondContact O-CG 3.29Å; I506-K510 PolarHBondContact O-N 3.19Å; N508-K510 VanDerWaalsContact C-N 3.26Å; N508-K510 PolarHBondContact O-N 3.26Å; K510-H565 HydrophobicContact CB-CB 3.97Å; K510-H565 HydrophobicContact CD-CB 3.61Å; K510-H565 HydrophobicContact CG-CB 3.53Å
511	S	41.4	Very low	52	Low	9 Å²	9	76.4 Å²	76.4	6%	0.063	42%	0.419	C	S	.	.	H	α-helix	trans	-89.1	-36.8	176.3	74	0	0	0	0	113.6	N508 Y509	N508-S511 WeakPolarHBondContact O-CA 3.11Å; N508-S511 WeakPolarHBondContact O-CB 3.42Å; N508-S511 PolarHBondContact O-N 3.33Å; N508-S511 PolarHBondContact O-OG 2.71Å; Y509-S511 PolarHBondContact O-N 3.38Å
512	E	43.7	Very low	50.4	Low	148 Å²	148	74.3 Å²	74.3	69%	0.692	42%	0.422	S	S	*	.	H	α-helix	trans	-78.8	-36.5	-178.6	-67.3	177	178.7	0	0	113.5	N508 Y509 T514	N508-E512 PolarHBondContact O-N 2.92Å; Y509-E512 PolarHBondContact O-N 3.07Å; E512-T514 VanDerWaalsContact C-N 3.33Å; E512-T514 PolarHBondContact O-N 3.47Å
513	G	39.1	Very low	48.5	Very low	56 Å²	56	78.7 Å²	78.7	58%	0.577	45%	0.449	S	S	*	.	S	Bend	trans	-79.3	2.8	-167.3	0	0	0	0	0	117.4	Y509	Y509-G513 PolarHBondContact O-N 3.11Å
514	T	39.3	Very low	46.9	Very low	53 Å²	53	81.1 Å²	81.1	33%	0.325	46%	0.462	S	S	.	.	S	Bend	trans	-140.4	125	175.8	54.5	0	0	0	0	110.6	E512 I516 K526	E512-T514 VanDerWaalsContact C-N 3.33Å; E512-T514 PolarHBondContact O-N 3.47Å; T514-I516 PolarHBondContact O-N 3.08Å; T514-K526 PolarHBondContact O-NZ 2.71Å; T514-K526 PolarHBondContact OG1-NZ 3.13Å
515	G	37.2	Very low	46	Very low	93 Å²	93	78.7 Å²	78.7	96%	0.959	45%	0.452	S	S	*	.			trans	-65.5	22	179.7	0	0	0	0	0	115.8	F517	G515-F517 PolarHBondContact O-N 3.44Å
516	I	36.8	Very low	45.6	Very low	37 Å²	37	79 Å²	79	19%	0.19	45%	0.45	C	S	.	.	S	Bend	trans	-81.1	112.8	177.1	-58.1	168.1	0	0	0	107.4	T514 K526 I529 L724	T514-I516 PolarHBondContact O-N 3.08Å; I516-K526 HydrophobicContact CB-CD 4.25Å; I516-K526 HydrophobicContact CG2-CD 4.12Å; I516-K526 WeakPolarHBondContact O-CE 3.23Å; I516-K526 PolarHBondContact O-NZ 3.17Å; I516-I529 HydrophobicContact CD1-CD1 3.93Å; I516-L724 HydrophobicContact CG2-CD2 4.34Å
517	F	36.3	Very low	45.7	Very low	103 Å²	103	80.1 Å²	80.1	45%	0.452	46%	0.456	S	S	.	.			trans	18.6	101.8	160.5	-63.5	-86.9	0	0	0	117.8	G515 R725	G515-F517 PolarHBondContact O-N 3.44Å; F517-R725 WeakPolarHBondContact CZ-O 3.35Å
518	H	32.8	Very low	46.3	Very low	132 Å²	132	77.4 Å²	77.4	61%	0.611	44%	0.439	S	S	*	.			trans	-75.5	122	152.1	-73.7	22.7	0	0	0	108.6
519	W	34.1	Very low	47.1	Very low	196 Å²	196	76.5 Å²	76.5	74%	0.742	43%	0.434	S	S	*	.			trans	-86.6	139.1	164.1	-74.1	61.2	0	0	0	107.9	N521	W519-N521 PolarHBondContact O-N 2.94Å
520	P	32.6	Very low	48.1	Very low	125 Å²	125	75 Å²	75	81%	0.812	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	3.6	-173.2	24.6	-33.1	0	0	0	115.3
521	N	36.1	Very low	49.5	Very low	130 Å²	130	76.6 Å²	76.6	70%	0.695	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	12.1	-170.4	-57.1	12.8	0	0	0	113.4	W519 V523	W519-N521 PolarHBondContact O-N 2.94Å; N521-V523 PolarHBondContact O-N 3.22Å
522	G	35.7	Very low	51.7	Low	58 Å²	58	78.2 Å²	78.2	60%	0.598	45%	0.445	S	S	*	.			trans	74.5	8	167.5	0	0	0	0	0	117.8	N524	G522-N524 PolarHBondContact O-N 2.91Å
523	V	35.9	Very low	53.9	Low	94 Å²	94	73.8 Å²	73.8	57%	0.57	42%	0.423	S	S	*	.			trans	-87.5	82.7	177.5	-172.8	0	0	0	0	110.1	L268 N521 N525	L268-V523 HydrophobicContact CD2-CG1 4.4Å; N521-V523 PolarHBondContact O-N 3.22Å; V523-N525 VanDerWaalsContact C-N 3.34Å; V523-N525 PolarHBondContact O-N 2.77Å
524	N	42.6	Very low	56.3	Low	82 Å²	82	75 Å²	75	44%	0.439	42%	0.419	S	S	.	.			trans	-77.4	-5.3	-169.1	-78.2	-1	0	0	0	116.6	G522 K526	G522-N524 PolarHBondContact O-N 2.91Å; N524-K526 PolarHBondContact O-N 3.03Å
525	N	52	Low	58.9	Low	62 Å²	62	72.5 Å²	72.5	33%	0.332	40%	0.404	S	S	.	.			trans	-91	98.2	179.3	-73.2	-20.7	0	0	0	111.1	V523	V523-N525 VanDerWaalsContact C-N 3.34Å; V523-N525 PolarHBondContact O-N 2.77Å
526	K	63.9	Low	61.4	Low	44 Å²	44	76 Å²	76	19%	0.191	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-65	151.9	171.2	-65.8	159.8	-177.3	163.4	0	110.4	T514 I516 N524 H565	T514-K526 PolarHBondContact O-NZ 2.71Å; T514-K526 PolarHBondContact OG1-NZ 3.13Å; I516-K526 HydrophobicContact CB-CD 4.25Å; I516-K526 HydrophobicContact CG2-CD 4.12Å; I516-K526 WeakPolarHBondContact O-CE 3.23Å; I516-K526 PolarHBondContact O-NZ 3.17Å; N524-K526 PolarHBondContact O-N 3.03Å; K526-H565 PolarHBondContact O-CE1 2.87Å
527	V	73.2	Confident	64.1	Low	28 Å²	28	77.4 Å²	77.4	17%	0.17	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-57.5	141.4	164.1	172.9	0	0	0	0	109.9	D227 P230 Y379 I529	D227-V527 WeakPolarHBondContact O-CG2 3.42Å; P230-V527 HydrophobicContact CB-CG1 3.81Å; Y379-V527 HydrophobicContact CD1-CB 4.43Å; Y379-V527 HydrophobicContact CD1-CG2 3.68Å; Y379-V527 HydrophobicContact CE1-CB 4.17Å; Y379-V527 HydrophobicContact CE1-CG2 3.92Å; V527-I529 PolarHBondContact O-N 2.85Å
528	L	79.7	Confident	66.8	Low	7 Å²	7	74.1 Å²	74.1	4%	0.037	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-60.5	121	171.4	-72.6	162.4	0	0	0	109.7	Q228 P230 H565 W643	Q228-L528 WeakPolarHBondContact O-CB 3.37Å; Q228-L528 WeakPolarHBondContact O-CG 3.34Å; Q228-L528 PolarHBondContact O-N 3.49Å; P230-L528 WeakPolarHBondContact CB-O 3.4Å; P230-L528 HydrophobicContact CG-CB 4.48Å; P230-L528 VanDerWaalsContact CG-O 3.25Å; P230-L528 WeakPolarHBondContact CG-O 3.46Å; L528-H565 VanDerWaalsContact CD2-NE2 3.3Å; L528-H565 WeakPolarHBondContact CD2-NE2 3.23Å; L528-W643 HydrophobicContact CD1-CH2 3.61Å; L528-W643 HydrophobicContact CD1-CZ3 3.61Å
529	I	78.1	Confident	69.8	Low	44 Å²	44	70.3 Å²	70.3	23%	0.226	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-95.4	117.8	177.2	-59.6	175.2	0	0	0	108.2	I516 V527 R531 L721 L724	I516-I529 HydrophobicContact CD1-CD1 3.93Å; V527-I529 PolarHBondContact O-N 2.85Å; I529-R531 PolarHBondContact O-N 2.85Å; I529-L721 HydrophobicContact CG2-CD1 4.21Å; I529-L724 HydrophobicContact CD1-CD1 4.02Å; I529-L724 HydrophobicContact CD1-CD2 4.5Å
530	P	83.8	Confident	72.7	Confident	21 Å²	21	61 Å²	61	14%	0.136	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-62	132.5	175.8	23.4	-31.4	0	0	0	110.7	F377 T561 T562 F563 A713	F377-P530 HydrophobicContact CE2-CG 4.46Å; F377-P530 HydrophobicContact CZ-CG 4.1Å; P530-T561 HydrophobicContact CB-CG2 3.69Å; P530-T562 WeakPolarHBondContact CA-O 3.49Å; P530-F563 HydrophobicContact CB-CD1 4.25Å; P530-F563 HydrophobicContact CB-CE1 3.67Å; P530-F563 HydrophobicContact CB-CZ 3.87Å; P530-F563 HydrophobicContact CG-CE1 4.28Å; P530-A713 HydrophobicContact CB-CB 4.35Å
531	R	84.6	Confident	75.7	Confident	87 Å²	87	55 Å²	55	33%	0.328	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.5	176.3	-73.2	178.3	-86.4	173.1	-0.6	109.5	I529 F533 T562 S564	I529-R531 PolarHBondContact O-N 2.85Å; R531-F533 HydrophobicContact CB-CE2 3.71Å; R531-F533 HydrophobicContact CB-CZ 4.06Å; R531-F533 WeakPolarHBondContact O-CD2 3.26Å; R531-F533 WeakPolarHBondContact O-CE2 3.35Å; R531-T562 PolarHBondContact N-O 2.81Å; R531-T562 VanDerWaalsContact N-O 3.07Å; R531-T562 PolarHBondContact O-N 3.25Å; R531-T562 PolarHBondContact O-OG1 3.5Å; R531-T562 VanDerWaalsContact O-OG1 3.12Å; R531-S564 PolarHBondContact NH2-O 3.17Å
532	T	88.1	Confident	78.4	Confident	42 Å²	42	49 Å²	49	26%	0.258	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.9	-178	-50.5	0	0	0	0	111	Y559 F560 T561	T532-Y559 HydrophobicContact CG2-CD1 4.24Å; T532-F560 CarbonylContact C-O 3.59Å; T532-F560 WeakPolarHBondContact CA-O 3.39Å; T532-T561 PolarHBondContact OG1-OG1 2.96Å
533	F	89.6	Confident	81	Confident	56 Å²	56	46.2 Å²	46.2	25%	0.246	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.1	177.7	-60.3	-85.9	0	0	0	110.5	R531 L541 Y559 F560 T562 I568 I570	R531-F533 HydrophobicContact CB-CE2 3.71Å; R531-F533 HydrophobicContact CB-CZ 4.06Å; R531-F533 WeakPolarHBondContact O-CD2 3.26Å; R531-F533 WeakPolarHBondContact O-CE2 3.35Å; F533-L541 HydrophobicContact CB-CD1 4.46Å; F533-L541 HydrophobicContact CD2-CD1 3.96Å; F533-L541 HydrophobicContact CG-CD1 4.37Å; F533-Y559 WeakPolarHBondContact O-CA 3.12Å; F533-F560 PolarHBondContact N-O 3.16Å; F533-F560 PolarHBondContact O-N 2.92Å; F533-T562 HydrophobicContact CD2-CG2 4.05Å; F533-T562 HydrophobicContact CE2-CG2 4.11Å; F533-I568 HydrophobicContact CD2-CG2 4.36Å; F533-I568 HydrophobicContact CE2-CB 4.27Å; F533-I568 HydrophobicContact CE2-CG1 4.4Å; F533-I568 HydrophobicContact CE2-CG2 3.73Å; F533-I568 HydrophobicContact CZ-CB 4.09Å; F533-I568 HydrophobicContact CZ-CG2 3.82Å; F533-I570 HydrophobicContact CB-CD1 3.81Å; F533-I570 HydrophobicContact CD1-CD1 3.62Å; F533-I570 HydrophobicContact CE1-CD1 4.42Å; F533-I570 HydrophobicContact CG-CD1 3.86Å
534	V	90.8	Very high	83.4	Confident	81 Å²	81	41.8 Å²	41.8	49%	0.491	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121	173.2	-174.2	0	0	0	0	108.4	Y559	V534-Y559 HydrophobicContact CG2-CD1 4.07Å; V534-Y559 HydrophobicContact CG2-CE1 3.73Å
535	M	92.3	Very high	85.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.3	-179.4	-57.2	-61.8	-67.8	0	0	110.4	L539 L541 V551 S557 V558 F560 I570	M535-L539 HydrophobicContact CE-CB 3.79Å; M535-L541 HydrophobicContact CE-CB 3.92Å; M535-L541 HydrophobicContact SD-CB 4.35Å; M535-L541 HydrophobicContact SD-CD1 4.39Å; M535-V551 HydrophobicContact CB-CG2 3.87Å; M535-V551 HydrophobicContact CE-CG2 4.46Å; M535-V551 HydrophobicContact CG-CG2 4.49Å; M535-S557 WeakPolarHBondContact O-CA 3.26Å; M535-V558 HydrophobicContact CB-CB 4.5Å; M535-V558 WeakPolarHBondContact CB-O 3.41Å; M535-V558 PolarHBondContact N-O 2.97Å; M535-V558 PolarHBondContact O-N 3.38Å; M535-F560 HydrophobicContact CE-CD2 4.31Å; M535-F560 HydrophobicContact CE-CE2 4.26Å; M535-F560 HydrophobicContact CG-CB 4.06Å; M535-F560 HydrophobicContact CG-CD1 4.23Å; M535-F560 HydrophobicContact CG-CD2 3.48Å; M535-F560 VanDerWaalsContact CG-CD2 3.48Å; M535-F560 HydrophobicContact CG-CE2 3.9Å; M535-F560 HydrophobicContact CG-CG 3.65Å; M535-F560 HydrophobicContact CG-CZ 4.46Å; M535-F560 HydrophobicContact SD-CD2 4.17Å; M535-I570 HydrophobicContact CE-CG2 4.22Å; M535-I570 HydrophobicContact SD-CD1 3.85Å; M535-I570 HydrophobicContact SD-CG1 4.16Å; M535-I570 HydrophobicContact SD-CG2 4.25Å
536	R	91.5	Very high	87.2	Confident	168 Å²	168	36.1 Å²	36.1	63%	0.634	19%	0.189	S	C	*	.			trans	-125.9	155.1	173.3	-64.8	-178.2	-179.8	177	-0.3	108.7	G538 L539	R536-G538 PolarHBondContact O-N 3.39Å; R536-L539 HydrophobicContact CB-CD1 4.21Å; R536-L539 WeakPolarHBondContact O-CB 3.45Å; R536-L539 PolarHBondContact O-N 2.73Å; R536-L539 VanDerWaalsContact O-N 3.16Å
537	P	92.5	Very high	88.5	Confident	65 Å²	65	34.1 Å²	34.1	42%	0.422	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	137.9	169.7	-26.4	35.6	0	0	0	111.5	V551 A554	P537-V551 HydrophobicContact CG-CG1 4.46Å; P537-A554 HydrophobicContact CG-CB 4.15Å
538	G	93.3	Very high	89.5	Confident	35 Å²	35	33.3 Å²	33.3	36%	0.361	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-5.4	-175.2	0	0	0	0	0	115.4	R536 V551 I573	R536-G538 PolarHBondContact O-N 3.39Å; G538-V551 PolarHBondContact N-O 3.44Å; G538-I573 WeakPolarHBondContact O-CG1 3.49Å; G538-I573 PolarHBondContact O-N 2.7Å
539	L	95.7	Very high	90.3	Very high	51 Å²	51	33 Å²	33	27%	0.267	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.4	175.1	-61.9	-178.8	0	0	0	112.8	M535 R536 V551 I570	M535-L539 HydrophobicContact CE-CB 3.79Å; R536-L539 HydrophobicContact CB-CD1 4.21Å; R536-L539 WeakPolarHBondContact O-CB 3.45Å; R536-L539 PolarHBondContact O-N 2.73Å; R536-L539 VanDerWaalsContact O-N 3.16Å; L539-V551 PolarHBondContact O-N 3Å; L539-I570 HydrophobicContact CB-CG2 4.46Å; L539-I570 HydrophobicContact CD1-CG2 4.26Å
540	T	95.5	Very high	91.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.9	170.7	171.6	0	0	0	0	111.1	L549 D550 I570 V571 V576	T540-L549 WeakPolarHBondContact CA-O 3.38Å; T540-D550 WeakPolarHBondContact CB-OD1 3.41Å; T540-D550 PolarHBondContact OG1-OD1 2.87Å; T540-D550 VanDerWaalsContact OG1-OD1 3.09Å; T540-I570 WeakPolarHBondContact O-CA 3.14Å; T540-V571 HydrophobicContact CG2-CB 3.84Å; T540-V571 WeakPolarHBondContact CG2-O 3.36Å; T540-V571 PolarHBondContact N-O 2.85Å; T540-V571 PolarHBondContact O-N 2.81Å; T540-V576 HydrophobicContact CG2-CG2 3.34Å
541	L	95.2	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.3	163.2	-172.1	149.8	0	0	0	109.7	F533 M535 M543 R548 L549 F560 T562 I568 I570	F533-L541 HydrophobicContact CB-CD1 4.46Å; F533-L541 HydrophobicContact CD2-CD1 3.96Å; F533-L541 HydrophobicContact CG-CD1 4.37Å; M535-L541 HydrophobicContact CE-CB 3.92Å; M535-L541 HydrophobicContact SD-CB 4.35Å; M535-L541 HydrophobicContact SD-CD1 4.39Å; L541-M543 HydrophobicContact CD2-CG 3.51Å; L541-M543 HydrophobicContact CD2-SD 4.24Å; L541-R548 CarbonylContact O-C 3.57Å; L541-R548 WeakPolarHBondContact O-CA 3.45Å; L541-L549 PolarHBondContact N-O 2.92Å; L541-L549 PolarHBondContact O-N 2.91Å; L541-F560 HydrophobicContact CB-CD2 4.01Å; L541-F560 HydrophobicContact CB-CE2 4.33Å; L541-F560 HydrophobicContact CD1-CB 4.13Å; L541-F560 HydrophobicContact CD1-CD2 3.95Å; L541-T562 HydrophobicContact CD1-CG2 3.56Å; L541-T562 HydrophobicContact CD2-CG2 3.82Å; L541-T562 HydrophobicContact CG-CG2 4.37Å; L541-I568 HydrophobicContact CD1-CG2 3.95Å; L541-I568 HydrophobicContact CD2-CG2 3.91Å; L541-I568 HydrophobicContact CG-CG2 3.81Å; L541-I570 HydrophobicContact CG-CG1 4.5Å
542	L	92.3	Very high	92.2	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134.1	175.1	-57.1	179.6	0	0	0	110.5	R548 I568 H569 V571 V576 Y579 R580	L542-R548 HydrophobicContact CD2-CB 3.76Å; L542-R548 HydrophobicContact CD2-CG 3.95Å; L542-I568 WeakPolarHBondContact O-CA 3.48Å; L542-H569 HydrophobicContact CB-CB 4.23Å; L542-H569 HydrophobicContact CD1-CB 4.43Å; L542-H569 PolarHBondContact N-O 2.97Å; L542-H569 PolarHBondContact O-N 3.13Å; L542-H569 VanDerWaalsContact O-N 3.09Å; L542-V571 HydrophobicContact CD1-CG2 4.06Å; L542-V576 HydrophobicContact CD2-CG1 4.01Å; L542-Y579 HydrophobicContact CD1-CD1 4.1Å; L542-Y579 HydrophobicContact CD1-CE1 4.44Å; L542-R580 HydrophobicContact CD1-CG 4.42Å
543	M	91.1	Very high	92.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	85.2	176.6	-58.8	-176.9	71.3	0	0	108.9	L541 L546 G547 S564 L566 I568 L638 A641 V644	L541-M543 HydrophobicContact CD2-CG 3.51Å; L541-M543 HydrophobicContact CD2-SD 4.24Å; M543-L546 PolarHBondContact O-N 2.68Å; M543-G547 PolarHBondContact N-O 2.96Å; M543-G547 PolarHBondContact O-N 3.02Å; M543-S564 VanDerWaalsContact CE-CB 3.41Å; M543-L566 WeakPolarHBondContact O-CD1 3.41Å; M543-I568 HydrophobicContact CB-CD1 4.33Å; M543-I568 HydrophobicContact CE-CD1 4.4Å; M543-I568 HydrophobicContact CG-CD1 3.92Å; M543-L638 HydrophobicContact SD-CD1 3.93Å; M543-A641 HydrophobicContact CB-CB 4.18Å; M543-V644 HydrophobicContact CE-CG2 4.28Å; M543-V644 HydrophobicContact SD-CG2 3.54Å; M543-V644 VanDerWaalsContact SD-CG2 3.54Å
544	G	85.9	Confident	92.4	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-141	-165.7	0	0	0	0	0	111.9	P567 L587	G544-P567 PolarHBondContact N-O 3.12Å; G544-L587 CarbonylContact C-O 3.55Å; G544-L587 WeakPolarHBondContact CA-O 3.38Å
545	S	85	Confident	92.1	Very high	23 Å²	23	27.4 Å²	27.4	16%	0.161	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.1	172.2	65.4	0	0	0	0	114.3	R580 L587 M588	S545-R580 PolarHBondContact O-NH2 3.25Å; S545-R580 VanDerWaalsContact O-NH2 3.12Å; S545-L587 PolarHBondContact N-O 3.14Å; S545-M588 VanDerWaalsContact OG-CG 3.22Å; S545-M588 WeakPolarHBondContact OG-CG 3.29Å; S545-M588 PolarHBondContact OG-SD 3.24Å
546	L	88.3	Confident	91.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-33.8	-165.1	-56.2	-168.1	0	0	0	114.7	F498 M543 L566 M588 A641 P698	F498-L546 HydrophobicContact CE2-CD1 4.16Å; F498-L546 HydrophobicContact CE2-CD2 3.64Å; F498-L546 HydrophobicContact CZ-CD2 3.37Å; M543-L546 PolarHBondContact O-N 2.68Å; L546-L566 HydrophobicContact CB-CD1 4.33Å; L546-L566 HydrophobicContact CD1-CD1 4.12Å; L546-L566 HydrophobicContact CG-CD1 4.22Å; L546-M588 HydrophobicContact CD1-CE 3.69Å; L546-M588 HydrophobicContact CD2-CE 3.79Å; L546-M588 HydrophobicContact CD2-SD 4.11Å; L546-M588 HydrophobicContact CG-CE 3.63Å; L546-M588 HydrophobicContact CG-SD 4.5Å; L546-A641 HydrophobicContact CB-CB 3.91Å; L546-P698 WeakPolarHBondContact O-CD 3.36Å
547	G	92.3	Very high	91.6	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.7	-177.4	0	0	0	0	0	111.1	M543	M543-G547 PolarHBondContact N-O 2.96Å; M543-G547 PolarHBondContact O-N 3.02Å
548	R	94.9	Very high	91.4	Very high	11 Å²	11	18.5 Å²	18.5	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.3	172.5	153.3	-177.7	-179.6	-178.4	-1.5	108.5	L541 L542 D550 W696	L541-R548 CarbonylContact O-C 3.57Å; L541-R548 WeakPolarHBondContact O-CA 3.45Å; L542-R548 HydrophobicContact CD2-CB 3.76Å; L542-R548 HydrophobicContact CD2-CG 3.95Å; R548-D550 WeakPolarHBondContact CG-OD1 3.24Å; R548-D550 IonicContact CZ-OD1 2.66Å; R548-D550 IonicContact CZ-OD2 2.78Å; R548-D550 IonicContact NE-OD1 3.87Å; R548-D550 PolarHBondContact NE-OD1 2.86Å; R548-D550 IonicContact NE-OD2 2.7Å; R548-D550 PolarHBondContact NE-OD2 2.92Å; R548-D550 IonicContact NH2-OD1 2.87Å; R548-D550 PolarHBondContact NH2-OD1 3.39Å; R548-D550 IonicContact NH2-OD2 3.55Å; R548-D550 PolarHBondContact NH2-OD2 2.79Å; R548-W696 HydrophobicContact CB-CB 3.72Å; R548-W696 HydrophobicContact CB-CG 4.27Å; R548-W696 HydrophobicContact CG-CB 3.82Å; R548-W696 HydrophobicContact CG-CG 3.8Å; R548-W696 PolarHBondContact N-O 2.97Å; R548-W696 PolarHBondContact O-N 3.17Å
549	L	96.6	Very high	91.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	113.6	178.8	-173	61.4	0	0	0	109.9	T540 L541 F560 L620 V636 V644 L693 A695	T540-L549 WeakPolarHBondContact CA-O 3.38Å; L541-L549 PolarHBondContact N-O 2.92Å; L541-L549 PolarHBondContact O-N 2.91Å; L549-F560 HydrophobicContact CB-CE2 4.22Å; L549-F560 HydrophobicContact CD2-CD2 4.11Å; L549-F560 HydrophobicContact CD2-CE1 4.31Å; L549-F560 HydrophobicContact CD2-CE2 3.55Å; L549-F560 HydrophobicContact CD2-CZ 3.65Å; L549-F560 HydrophobicContact CG-CE2 3.72Å; L549-F560 HydrophobicContact CG-CZ 3.88Å; L549-L620 HydrophobicContact CD1-CD1 4.12Å; L549-V636 HydrophobicContact CD1-CG1 4.13Å; L549-V636 HydrophobicContact CD2-CB 4.34Å; L549-V636 HydrophobicContact CD2-CG1 4.46Å; L549-V636 HydrophobicContact CD2-CG2 4.33Å; L549-V644 HydrophobicContact CD2-CB 3.99Å; L549-V644 HydrophobicContact CD2-CG1 4.07Å; L549-V644 HydrophobicContact CD2-CG2 4.18Å; L549-L693 HydrophobicContact CD1-CB 4.21Å; L549-L693 HydrophobicContact CD1-CD1 4.26Å; L549-L693 HydrophobicContact CD2-CD1 4.44Å; L549-A695 HydrophobicContact CD1-CB 4.05Å
550	D	96.4	Very high	91.2	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.027	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.5	-174.8	-66.8	-3.7	0	0	0	110.7	T540 R548 L552 I573 L693 A694 W696	T540-D550 WeakPolarHBondContact CB-OD1 3.41Å; T540-D550 PolarHBondContact OG1-OD1 2.87Å; T540-D550 VanDerWaalsContact OG1-OD1 3.09Å; R548-D550 WeakPolarHBondContact CG-OD1 3.24Å; R548-D550 IonicContact CZ-OD1 2.66Å; R548-D550 IonicContact CZ-OD2 2.78Å; R548-D550 IonicContact NE-OD1 3.87Å; R548-D550 PolarHBondContact NE-OD1 2.86Å; R548-D550 IonicContact NE-OD2 2.7Å; R548-D550 PolarHBondContact NE-OD2 2.92Å; R548-D550 IonicContact NH2-OD1 2.87Å; R548-D550 PolarHBondContact NH2-OD1 3.39Å; R548-D550 IonicContact NH2-OD2 3.55Å; R548-D550 PolarHBondContact NH2-OD2 2.79Å; D550-L552 HydrophobicContact CB-CD2 4.33Å; D550-I573 HydrophobicContact CB-CD1 3.76Å; D550-I573 HydrophobicContact CB-CG1 4.2Å; D550-L693 VanDerWaalsContact O-CA 3.29Å; D550-L693 WeakPolarHBondContact O-CA 3.41Å; D550-A694 HydrophobicContact CB-CB 4.25Å; D550-A694 PolarHBondContact N-O 3.41Å; D550-A694 PolarHBondContact O-N 2.85Å; D550-A694 VanDerWaalsContact O-N 3.08Å; D550-W696 PolarHBondContact OD2-NE1 3.02Å
551	V	95.5	Very high	91	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.7	169.3	-172.9	0	0	0	0	109.1	M535 P537 G538 L539 A554 V558 F560 L693	M535-V551 HydrophobicContact CB-CG2 3.87Å; M535-V551 HydrophobicContact CE-CG2 4.46Å; M535-V551 HydrophobicContact CG-CG2 4.49Å; P537-V551 HydrophobicContact CG-CG1 4.46Å; G538-V551 PolarHBondContact N-O 3.44Å; L539-V551 PolarHBondContact O-N 3Å; V551-A554 HydrophobicContact CG1-CB 4.24Å; V551-V558 HydrophobicContact CG1-CG2 4.45Å; V551-F560 HydrophobicContact CG2-CE1 4.3Å; V551-F560 HydrophobicContact CG2-CE2 3.97Å; V551-F560 HydrophobicContact CG2-CZ 3.55Å; V551-L693 HydrophobicContact CB-CD2 4.19Å; V551-L693 HydrophobicContact CG1-CD2 4.22Å; V551-L693 HydrophobicContact CG2-CD2 3.9Å
552	L	94	Very high	90.9	Very high	83 Å²	83	16.5 Å²	16.5	44%	0.435	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-53.2	-178.9	-57	-179.5	0	0	0	111.1	D550 L692 A694	D550-L552 HydrophobicContact CB-CD2 4.33Å; L552-L692 HydrophobicContact CB-CB 4.3Å; L552-L692 WeakPolarHBondContact CB-O 3.36Å; L552-L692 PolarHBondContact N-O 2.88Å; L552-A694 HydrophobicContact CD1-CB 4.08Å; L552-A694 HydrophobicContact CD2-CB 4.36Å; L552-A694 HydrophobicContact CG-CB 4.31Å
553	K	92.5	Very high	90.8	Very high	92 Å²	92	16.4 Å²	16.4	40%	0.4	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.2	178.6	-166.6	171.6	-178.3	175.5	0	109.4	C688 L692	K553-C688 HydrophobicContact CD-CB 4.41Å; K553-L692 HydrophobicContact CB-CB 4.17Å; K553-L692 HydrophobicContact CB-CD1 4.1Å; K553-L692 HydrophobicContact CB-CG 4.36Å; K553-L692 PolarHBondContact N-O 3.29Å; K553-L692 PolarHBondContact O-N 3.1Å
554	A	89.2	Confident	90.6	Very high	15 Å²	15	16.6 Å²	16.6	12%	0.124	9%	0.09	C	C	.	.			trans	-156.4	149.4	171.5	0	0	0	0	0	109.3	P537 V551 S556 V558 I691	P537-A554 HydrophobicContact CG-CB 4.15Å; V551-A554 HydrophobicContact CG1-CB 4.24Å; A554-S556 VanDerWaalsContact C-N 3.29Å; A554-S556 WeakPolarHBondContact CB-O 3.43Å; A554-S556 PolarHBondContact O-N 2.99Å; A554-V558 HydrophobicContact CB-CG2 3.48Å; A554-V558 VanDerWaalsContact CB-CG2 3.48Å; A554-I691 HydrophobicContact CB-CG1 4.49Å; A554-I691 HydrophobicContact CB-CG2 4.21Å
555	P	85.1	Confident	90.2	Very high	20 Å²	20	18.6 Å²	18.6	13%	0.13	10%	0.099	C	C	.	.	S	Bend	trans	-66.5	-28.9	176.6	23.6	-33.3	0	0	0	113.3	T625 K651 C688 D690	P555-T625 HydrophobicContact CG-CG2 3.63Å; P555-K651 HydrophobicContact CB-CG 4.13Å; P555-K651 WeakPolarHBondContact O-CE 3.29Å; P555-K651 WeakPolarHBondContact O-CG 3.42Å; P555-C688 WeakPolarHBondContact CB-O 3.41Å; P555-D690 WeakPolarHBondContact CD-O 3.4Å
556	S	84.9	Confident	90.1	Very high	18 Å²	18	17.7 Å²	17.7	13%	0.126	9%	0.092	C	C	.	.	S	Bend	trans	-150.2	-171.5	-179.6	77.5	0	0	0	0	111.3	A554 L649	A554-S556 VanDerWaalsContact C-N 3.29Å; A554-S556 WeakPolarHBondContact CB-O 3.43Å; A554-S556 PolarHBondContact O-N 2.99Å; S556-L649 PolarHBondContact OG-O 3.29Å
557	S	86.5	Confident	89.9	Confident	26 Å²	26	19 Å²	19	18%	0.182	10%	0.101	C	C	.	.			trans	-62.6	134.4	174.4	-56.9	0	0	0	0	111.5	M535	M535-S557 WeakPolarHBondContact O-CA 3.26Å
558	V	90.1	Very high	89.7	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.9	-177.4	-175.3	0	0	0	0	109.5	M535 V551 A554 F560 V646 A647 I691	M535-V558 HydrophobicContact CB-CB 4.5Å; M535-V558 WeakPolarHBondContact CB-O 3.41Å; M535-V558 PolarHBondContact N-O 2.97Å; M535-V558 PolarHBondContact O-N 3.38Å; V551-V558 HydrophobicContact CG1-CG2 4.45Å; A554-V558 HydrophobicContact CB-CG2 3.48Å; A554-V558 VanDerWaalsContact CB-CG2 3.48Å; V558-F560 HydrophobicContact CB-CE1 4.49Å; V558-F560 HydrophobicContact CG1-CD1 3.88Å; V558-F560 HydrophobicContact CG1-CE1 3.62Å; V558-V646 HydrophobicContact CG1-CG1 3.66Å; V558-A647 WeakPolarHBondContact CG1-O 3.48Å; V558-I691 HydrophobicContact CG1-CD1 4.14Å; V558-I691 HydrophobicContact CG1-CG2 4.38Å; V558-I691 HydrophobicContact CG2-CD1 4.16Å; V558-I691 HydrophobicContact CG2-CG1 4.36Å; V558-I691 HydrophobicContact CG2-CG2 3.94Å
559	Y	91.6	Very high	89.5	Confident	43 Å²	43	21.6 Å²	21.6	17%	0.169	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.5	179.5	-65	-98.3	0	0	0	109.9	T532 F533 V534 L629 A647 I714	T532-Y559 HydrophobicContact CG2-CD1 4.24Å; F533-Y559 WeakPolarHBondContact O-CA 3.12Å; V534-Y559 HydrophobicContact CG2-CD1 4.07Å; V534-Y559 HydrophobicContact CG2-CE1 3.73Å; Y559-L629 HydrophobicContact CD2-CD1 3.96Å; Y559-L629 HydrophobicContact CD2-CD2 3.61Å; Y559-L629 HydrophobicContact CD2-CG 4.45Å; Y559-L629 HydrophobicContact CE2-CD1 3.35Å; Y559-L629 HydrophobicContact CE2-CD2 3.83Å; Y559-L629 HydrophobicContact CE2-CG 4.25Å; Y559-L629 HydrophobicContact CG-CD2 4.48Å; Y559-A647 PolarHBondContact N-O 3.3Å; Y559-A647 PolarHBondContact O-N 3.12Å; Y559-I714 HydrophobicContact CD1-CD1 4.49Å; Y559-I714 HydrophobicContact CD2-CD1 4.44Å; Y559-I714 HydrophobicContact CG-CD1 3.94Å
560	F	92.9	Very high	89.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	108.9	176.6	-79.3	5.6	0	0	0	109.5	T532 F533 M535 L541 L549 V551 V558 V644 V646 L693	T532-F560 CarbonylContact C-O 3.59Å; T532-F560 WeakPolarHBondContact CA-O 3.39Å; F533-F560 PolarHBondContact N-O 3.16Å; F533-F560 PolarHBondContact O-N 2.92Å; M535-F560 HydrophobicContact CE-CD2 4.31Å; M535-F560 HydrophobicContact CE-CE2 4.26Å; M535-F560 HydrophobicContact CG-CB 4.06Å; M535-F560 HydrophobicContact CG-CD1 4.23Å; M535-F560 HydrophobicContact CG-CD2 3.48Å; M535-F560 VanDerWaalsContact CG-CD2 3.48Å; M535-F560 HydrophobicContact CG-CE2 3.9Å; M535-F560 HydrophobicContact CG-CG 3.65Å; M535-F560 HydrophobicContact CG-CZ 4.46Å; M535-F560 HydrophobicContact SD-CD2 4.17Å; L541-F560 HydrophobicContact CB-CD2 4.01Å; L541-F560 HydrophobicContact CB-CE2 4.33Å; L541-F560 HydrophobicContact CD1-CB 4.13Å; L541-F560 HydrophobicContact CD1-CD2 3.95Å; L549-F560 HydrophobicContact CB-CE2 4.22Å; L549-F560 HydrophobicContact CD2-CD2 4.11Å; L549-F560 HydrophobicContact CD2-CE1 4.31Å; L549-F560 HydrophobicContact CD2-CE2 3.55Å; L549-F560 HydrophobicContact CD2-CZ 3.65Å; L549-F560 HydrophobicContact CG-CE2 3.72Å; L549-F560 HydrophobicContact CG-CZ 3.88Å; V551-F560 HydrophobicContact CG2-CE1 4.3Å; V551-F560 HydrophobicContact CG2-CE2 3.97Å; V551-F560 HydrophobicContact CG2-CZ 3.55Å; V558-F560 HydrophobicContact CB-CE1 4.49Å; V558-F560 HydrophobicContact CG1-CD1 3.88Å; V558-F560 HydrophobicContact CG1-CE1 3.62Å; F560-V644 HydrophobicContact CB-CG1 3.62Å; F560-V644 HydrophobicContact CD1-CG1 4.24Å; F560-V644 HydrophobicContact CD2-CG1 4.08Å; F560-V644 HydrophobicContact CG-CG1 3.73Å; F560-V646 HydrophobicContact CD1-CB 4.45Å; F560-V646 HydrophobicContact CD1-CG1 4.26Å; F560-V646 HydrophobicContact CD1-CG2 3.91Å; F560-V646 HydrophobicContact CE1-CB 4.38Å; F560-V646 HydrophobicContact CE1-CG1 3.92Å; F560-V646 HydrophobicContact CE1-CG2 3.73Å; F560-L693 HydrophobicContact CE1-CD1 4.16Å; F560-L693 HydrophobicContact CE1-CD2 4.3Å; F560-L693 HydrophobicContact CZ-CD1 4.07Å; F560-L693 HydrophobicContact CZ-CD2 3.86Å
561	T	91.7	Very high	89.2	Confident	2 Å²	2	25 Å²	25	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	104.8	171.4	-54	0	0	0	0	109.5	P530 T532 F563 V644 S645 A713	P530-T561 HydrophobicContact CB-CG2 3.69Å; T532-T561 PolarHBondContact OG1-OG1 2.96Å; T561-F563 HydrophobicContact CG2-CE2 3.81Å; T561-F563 HydrophobicContact CG2-CZ 4.07Å; T561-F563 WeakPolarHBondContact O-CD2 3.45Å; T561-V644 WeakPolarHBondContact O-CA 3.41Å; T561-S645 PolarHBondContact N-O 3.4Å; T561-S645 PolarHBondContact O-N 3.44Å; T561-A713 HydrophobicContact CG2-CB 3.88Å
562	T	91.8	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138	-176.9	64.5	0	0	0	0	111.7	P530 R531 F533 L541 I568 V644	P530-T562 WeakPolarHBondContact CA-O 3.49Å; R531-T562 PolarHBondContact N-O 2.81Å; R531-T562 VanDerWaalsContact N-O 3.07Å; R531-T562 PolarHBondContact O-N 3.25Å; R531-T562 PolarHBondContact O-OG1 3.5Å; R531-T562 VanDerWaalsContact O-OG1 3.12Å; F533-T562 HydrophobicContact CD2-CG2 4.05Å; F533-T562 HydrophobicContact CE2-CG2 4.11Å; L541-T562 HydrophobicContact CD1-CG2 3.56Å; L541-T562 HydrophobicContact CD2-CG2 3.82Å; L541-T562 HydrophobicContact CG-CG2 4.37Å; T562-I568 HydrophobicContact CG2-CD1 4.37Å; T562-V644 HydrophobicContact CG2-CG1 4.3Å; T562-V644 HydrophobicContact CG2-CG2 4.15Å
563	F	90.2	Very high	89.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	84.1	173.6	-65.7	-95.8	0	0	0	108.4	P230 P530 T561 W643 S645 I710 A713	P230-F563 HydrophobicContact CG-CD1 4.08Å; P230-F563 HydrophobicContact CG-CE1 3.96Å; P530-F563 HydrophobicContact CB-CD1 4.25Å; P530-F563 HydrophobicContact CB-CE1 3.67Å; P530-F563 HydrophobicContact CB-CZ 3.87Å; P530-F563 HydrophobicContact CG-CE1 4.28Å; T561-F563 HydrophobicContact CG2-CE2 3.81Å; T561-F563 HydrophobicContact CG2-CZ 4.07Å; T561-F563 WeakPolarHBondContact O-CD2 3.45Å; F563-W643 HydrophobicContact CB-CD2 3.61Å; F563-W643 HydrophobicContact CB-CE3 3.95Å; F563-W643 HydrophobicContact CB-CG 4.18Å; F563-W643 HydrophobicContact CB-CH2 3.87Å; F563-W643 HydrophobicContact CB-CZ2 3.53Å; F563-W643 HydrophobicContact CB-CZ3 4.07Å; F563-W643 AromaticContact CD1-CE2 3.99Å; F563-W643 HydrophobicContact CD1-CH2 4.29Å; F563-W643 AromaticContact CD1-CZ2 3.59Å; F563-W643 HydrophobicContact CD1-CZ2 3.59Å; F563-W643 AromaticContact CD2-CD1 3.66Å; F563-W643 HydrophobicContact CD2-CD2 4.34Å; F563-W643 AromaticContact CD2-CE2 3.62Å; F563-W643 HydrophobicContact CD2-CG 4.35Å; F563-W643 HydrophobicContact CD2-CZ2 4.1Å; F563-W643 AromaticContact CD2-NE1 3.16Å; F563-W643 HydrophobicContact CE1-CZ2 4.28Å; F563-W643 AromaticContact CE2-NE1 3.67Å; F563-W643 HydrophobicContact CG-CD2 4.12Å; F563-W643 AromaticContact CG-CE2 3.39Å; F563-W643 HydrophobicContact CG-CH2 4.24Å; F563-W643 AromaticContact CG-CZ2 3.47Å; F563-W643 HydrophobicContact CG-CZ2 3.47Å; F563-W643 VanDerWaalsContact CG-CZ2 3.47Å; F563-W643 AromaticContact CG-NE1 3.48Å; F563-W643 PolarHBondContact N-O 3.3Å; F563-W643 PolarHBondContact O-N 3.33Å; F563-S645 WeakPolarHBondContact CE2-OG 3.14Å; F563-I710 HydrophobicContact CE1-CB 4.35Å; F563-I710 HydrophobicContact CE1-CD1 3.77Å; F563-I710 HydrophobicContact CZ-CB 4.02Å; F563-I710 HydrophobicContact CZ-CD1 4.31Å; F563-I710 HydrophobicContact CZ-CG2 4.35Å; F563-A713 HydrophobicContact CZ-CB 3.8Å
564	S	87.1	Confident	89.3	Confident	5 Å²	5	30 Å²	30	4%	0.035	16%	0.155	C	C	.	.			trans	-151.9	153.6	177.3	-170.6	0	0	0	0	113.2	R531 M543 L566 A641	R531-S564 PolarHBondContact NH2-O 3.17Å; M543-S564 VanDerWaalsContact CE-CB 3.41Å; S564-L566 WeakPolarHBondContact OG-CB 3.37Å; S564-L566 PolarHBondContact OG-N 2.85Å; S564-A641 VanDerWaalsContact CB-O 3.27Å; S564-A641 WeakPolarHBondContact CB-O 3.47Å; S564-A641 PolarHBondContact OG-O 2.89Å
565	H	78.8	Confident	89.5	Confident	44 Å²	44	34.2 Å²	34.2	20%	0.204	17%	0.172	C	C	.	.	S	Bend	trans	-89.8	-7.7	166.5	-55.8	-62.7	0	0	0	113	K510 K526 L528	K510-H565 HydrophobicContact CB-CB 3.97Å; K510-H565 HydrophobicContact CD-CB 3.61Å; K510-H565 HydrophobicContact CG-CB 3.53Å; K526-H565 PolarHBondContact O-CE1 2.87Å; L528-H565 VanDerWaalsContact CD2-NE2 3.3Å; L528-H565 WeakPolarHBondContact CD2-NE2 3.23Å
566	L	82.9	Confident	89.8	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.166	C	C	.	.	S	Bend	trans	-71.9	155.8	174.6	-63.9	-178.9	0	0	0	110.7	M543 L546 S564 M588 A641	M543-L566 WeakPolarHBondContact O-CD1 3.41Å; L546-L566 HydrophobicContact CB-CD1 4.33Å; L546-L566 HydrophobicContact CD1-CD1 4.12Å; L546-L566 HydrophobicContact CG-CD1 4.22Å; S564-L566 WeakPolarHBondContact OG-CB 3.37Å; S564-L566 PolarHBondContact OG-N 2.85Å; L566-M588 HydrophobicContact CD2-CE 4.18Å; L566-A641 HydrophobicContact CD1-CB 4.22Å
567	P	83.2	Confident	90.1	Very high	29 Å²	29	37.5 Å²	37.5	19%	0.188	19%	0.187	C	C	.	.			trans	-63.5	140.1	169	26.6	-32.8	0	0	0	109.9	Y509 G544 F586	Y509-P567 HydrophobicContact CE1-CG 4.3Å; G544-P567 PolarHBondContact N-O 3.12Å; P567-F586 WeakPolarHBondContact CG-O 3.39Å
568	I	88	Confident	90.3	Very high	28 Å²	28	41 Å²	41	14%	0.144	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.2	-179.5	-53.1	-61.4	0	0	0	108.3	F533 L541 L542 M543 T562	F533-I568 HydrophobicContact CD2-CG2 4.36Å; F533-I568 HydrophobicContact CE2-CB 4.27Å; F533-I568 HydrophobicContact CE2-CG1 4.4Å; F533-I568 HydrophobicContact CE2-CG2 3.73Å; F533-I568 HydrophobicContact CZ-CB 4.09Å; F533-I568 HydrophobicContact CZ-CG2 3.82Å; L541-I568 HydrophobicContact CD1-CG2 3.95Å; L541-I568 HydrophobicContact CD2-CG2 3.91Å; L541-I568 HydrophobicContact CG-CG2 3.81Å; L542-I568 WeakPolarHBondContact O-CA 3.48Å; M543-I568 HydrophobicContact CB-CD1 4.33Å; M543-I568 HydrophobicContact CE-CD1 4.4Å; M543-I568 HydrophobicContact CG-CD1 3.92Å; T562-I568 HydrophobicContact CG2-CD1 4.37Å
569	H	91	Very high	90.3	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.181	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.6	177.7	-64.4	-112.4	0	0	0	109.4	L542 Y579	L542-H569 HydrophobicContact CB-CB 4.23Å; L542-H569 HydrophobicContact CD1-CB 4.43Å; L542-H569 PolarHBondContact N-O 2.97Å; L542-H569 PolarHBondContact O-N 3.13Å; L542-H569 VanDerWaalsContact O-N 3.09Å; H569-Y579 HydrophobicContact CB-CE1 4.22Å; H569-Y579 AromaticContact ND1-CE1 3.89Å; H569-Y579 AromaticContact ND1-CZ 3.79Å; H569-Y579 PolarHBondContact ND1-OH 2.83Å
570	I	93	Very high	90	Very high	69 Å²	69	44.3 Å²	44.3	35%	0.354	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.5	176.4	-63.2	170.5	0	0	0	107.7	F533 M535 L539 T540 L541	F533-I570 HydrophobicContact CB-CD1 3.81Å; F533-I570 HydrophobicContact CD1-CD1 3.62Å; F533-I570 HydrophobicContact CE1-CD1 4.42Å; F533-I570 HydrophobicContact CG-CD1 3.86Å; M535-I570 HydrophobicContact CE-CG2 4.22Å; M535-I570 HydrophobicContact SD-CD1 3.85Å; M535-I570 HydrophobicContact SD-CG1 4.16Å; M535-I570 HydrophobicContact SD-CG2 4.25Å; L539-I570 HydrophobicContact CB-CG2 4.46Å; L539-I570 HydrophobicContact CD1-CG2 4.26Å; T540-I570 WeakPolarHBondContact O-CA 3.14Å; L541-I570 HydrophobicContact CG-CG1 4.5Å
571	V	93.5	Very high	89.6	Confident	9 Å²	9	48.8 Å²	48.8	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.3	-172.1	-167.9	0	0	0	0	109	T540 L542 E575 Y579	T540-V571 HydrophobicContact CG2-CB 3.84Å; T540-V571 WeakPolarHBondContact CG2-O 3.36Å; T540-V571 PolarHBondContact N-O 2.85Å; T540-V571 PolarHBondContact O-N 2.81Å; L542-V571 HydrophobicContact CD1-CG2 4.06Å; V571-E575 HydrophobicContact CG1-CB 3.95Å; V571-Y579 HydrophobicContact CG1-CD2 4.06Å; V571-Y579 HydrophobicContact CG1-CG 4.06Å; V571-Y579 HydrophobicContact CG2-CD1 3.82Å; V571-Y579 HydrophobicContact CG2-CD2 3.89Å; V571-Y579 HydrophobicContact CG2-CE1 4.01Å; V571-Y579 HydrophobicContact CG2-CE2 4.08Å; V571-Y579 HydrophobicContact CG2-CG 3.77Å
572	S	95.2	Very high	89.3	Confident	32 Å²	32	56.9 Å²	56.9	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.9	164.6	175.1	0	0	0	0	110.7	K574 E575 V576	S572-K574 PolarHBondContact O-N 2.6Å; S572-K574 VanDerWaalsContact O-N 3.11Å; S572-K574 PolarHBondContact OG-N 2.96Å; S572-E575 PolarHBondContact O-N 2.75Å; S572-V576 VanDerWaalsContact O-CG2 3.28Å; S572-V576 WeakPolarHBondContact O-CG2 3.22Å
573	I	94.5	Very high	88.7	Confident	45 Å²	45	60.4 Å²	60.4	23%	0.231	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.7	176.3	-71.9	171.2	0	0	0	111.7	G538 D550 V576	G538-I573 WeakPolarHBondContact O-CG1 3.49Å; G538-I573 PolarHBondContact O-N 2.7Å; D550-I573 HydrophobicContact CB-CD1 3.76Å; D550-I573 HydrophobicContact CB-CG1 4.2Å; I573-V576 WeakPolarHBondContact O-CG2 3.27Å
574	K	94.2	Very high	88	Confident	202 Å²	202	62.4 Å²	62.4	88%	0.878	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.6	-179.8	-61	-178.8	-179.9	179.4	0	114	S572	S572-K574 PolarHBondContact O-N 2.6Å; S572-K574 VanDerWaalsContact O-N 3.11Å; S572-K574 PolarHBondContact OG-N 2.96Å
575	E	93.7	Very high	87.3	Confident	103 Å²	103	67.6 Å²	67.6	48%	0.481	33%	0.325	S	S	.	.	S	Bend	trans	-106.3	0.1	-171	-67.9	164.1	-162.9	0	0	112.8	V571 S572 D577 E578 Y579	V571-E575 HydrophobicContact CG1-CB 3.95Å; S572-E575 PolarHBondContact O-N 2.75Å; E575-D577 PolarHBondContact O-N 2.87Å; E575-E578 PolarHBondContact O-N 3.14Å; E575-Y579 VanDerWaalsContact O-CB 3.32Å; E575-Y579 WeakPolarHBondContact O-CB 3.49Å; E575-Y579 PolarHBondContact O-N 3.01Å
576	V	91.8	Very high	87.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-42.9	-167.3	-176.7	0	0	0	0	113	T540 L542 S572 I573 Y579 R580	T540-V576 HydrophobicContact CG2-CG2 3.34Å; L542-V576 HydrophobicContact CD2-CG1 4.01Å; S572-V576 VanDerWaalsContact O-CG2 3.28Å; S572-V576 WeakPolarHBondContact O-CG2 3.22Å; I573-V576 WeakPolarHBondContact O-CG2 3.27Å; V576-Y579 PolarHBondContact O-N 2.81Å; V576-R580 HydrophobicContact CG1-CG 4.13Å; V576-R580 WeakPolarHBondContact O-CB 3.35Å; V576-R580 VanDerWaalsContact O-CG 3.22Å; V576-R580 WeakPolarHBondContact O-CG 3.37Å; V576-R580 PolarHBondContact O-N 2.95Å
577	D	90.2	Very high	86.8	Confident	108 Å²	108	69.9 Å²	69.9	58%	0.578	33%	0.334	S	S	*	.	H	α-helix	trans	-73.5	-35	-174.3	-60.2	-44.7	0	0	0	111.8	E575 S581	E575-D577 PolarHBondContact O-N 2.87Å; D577-S581 WeakPolarHBondContact O-CB 3.46Å; D577-S581 PolarHBondContact O-N 2.96Å; D577-S581 VanDerWaalsContact O-N 3.08Å; D577-S581 PolarHBondContact O-OG 3.23Å
578	E	91.5	Very high	86.4	Confident	100 Å²	100	68.5 Å²	68.5	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-46.8	170	-175.1	178.7	-178.7	0	0	111.1	E575 S581 R582	E575-E578 PolarHBondContact O-N 3.14Å; E578-S581 PolarHBondContact O-N 3.03Å; E578-R582 PolarHBondContact O-N 3.19Å; E578-R582 IonicContact OE1-CZ 2.63Å; E578-R582 IonicContact OE1-NE 2.68Å; E578-R582 IonicContact OE1-NH1 2.75Å; E578-R582 PolarHBondContact OE1-NH1 3.43Å; E578-R582 IonicContact OE1-NH2 3.05Å; E578-R582 PolarHBondContact OE1-NH2 2.92Å
579	Y	90.2	Very high	85.4	Confident	57 Å²	57	67.8 Å²	67.8	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-48.6	178.1	-170.8	-85.1	0	0	0	111.5	L542 H569 V571 E575 V576 S581 R582 F583	L542-Y579 HydrophobicContact CD1-CD1 4.1Å; L542-Y579 HydrophobicContact CD1-CE1 4.44Å; H569-Y579 HydrophobicContact CB-CE1 4.22Å; H569-Y579 AromaticContact ND1-CE1 3.89Å; H569-Y579 AromaticContact ND1-CZ 3.79Å; H569-Y579 PolarHBondContact ND1-OH 2.83Å; V571-Y579 HydrophobicContact CG1-CD2 4.06Å; V571-Y579 HydrophobicContact CG1-CG 4.06Å; V571-Y579 HydrophobicContact CG2-CD1 3.82Å; V571-Y579 HydrophobicContact CG2-CD2 3.89Å; V571-Y579 HydrophobicContact CG2-CE1 4.01Å; V571-Y579 HydrophobicContact CG2-CE2 4.08Å; V571-Y579 HydrophobicContact CG2-CG 3.77Å; E575-Y579 VanDerWaalsContact O-CB 3.32Å; E575-Y579 WeakPolarHBondContact O-CB 3.49Å; E575-Y579 PolarHBondContact O-N 3.01Å; V576-Y579 PolarHBondContact O-N 2.81Å; Y579-S581 VanDerWaalsContact C-N 3.33Å; Y579-S581 PolarHBondContact O-N 3.3Å; Y579-R582 PolarHBondContact O-N 3.32Å; Y579-F583 HydrophobicContact CD1-CB 4.31Å; Y579-F583 AromaticContact CD1-CD2 3.93Å; Y579-F583 HydrophobicContact CD1-CD2 3.93Å; Y579-F583 AromaticContact CD2-CD2 3.5Å; Y579-F583 HydrophobicContact CD2-CD2 3.5Å; Y579-F583 VanDerWaalsContact CD2-CD2 3.5Å; Y579-F583 AromaticContact CD2-CE2 3.68Å; Y579-F583 HydrophobicContact CD2-CE2 3.68Å; Y579-F583 HydrophobicContact CE1-CB 3.96Å; Y579-F583 AromaticContact CE1-CD2 3.85Å; Y579-F583 HydrophobicContact CE1-CD2 3.85Å; Y579-F583 HydrophobicContact CE1-CG 4.2Å; Y579-F583 AromaticContact CE2-CD2 3.41Å; Y579-F583 HydrophobicContact CE2-CD2 3.41Å; Y579-F583 VanDerWaalsContact CE2-CD2 3.41Å; Y579-F583 AromaticContact CE2-CE2 3.58Å; Y579-F583 HydrophobicContact CE2-CE2 3.58Å; Y579-F583 HydrophobicContact CE2-CG 4.3Å; Y579-F583 AromaticContact CG-CD2 3.74Å; Y579-F583 HydrophobicContact CG-CD2 3.74Å; Y579-F583 HydrophobicContact CG-CE2 4.34Å; Y579-F583 AromaticContact CZ-CD2 3.59Å; Y579-F583 WeakPolarHBondContact O-CB 3.43Å; Y579-F583 VanDerWaalsContact O-CD2 3.27Å; Y579-F583 WeakPolarHBondContact O-CD2 3.27Å; Y579-F583 PolarHBondContact O-N 3.36Å
580	R	85.3	Confident	84	Confident	55 Å²	55	72.3 Å²	72.3	21%	0.208	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-47.1	177.8	-73.8	179.9	80.7	179.6	14.8	110.5	L542 S545 V576 R582 F583 V584 L587 M615	L542-R580 HydrophobicContact CD1-CG 4.42Å; S545-R580 PolarHBondContact O-NH2 3.25Å; S545-R580 VanDerWaalsContact O-NH2 3.12Å; V576-R580 HydrophobicContact CG1-CG 4.13Å; V576-R580 WeakPolarHBondContact O-CB 3.35Å; V576-R580 VanDerWaalsContact O-CG 3.22Å; V576-R580 WeakPolarHBondContact O-CG 3.37Å; V576-R580 PolarHBondContact O-N 2.95Å; R580-R582 PolarHBondContact O-N 2.91Å; R580-F583 PolarHBondContact O-N 3.27Å; R580-V584 WeakPolarHBondContact O-CG2 3.4Å; R580-V584 PolarHBondContact O-N 2.89Å; R580-L587 HydrophobicContact CB-CD1 4.47Å; R580-L587 HydrophobicContact CG-CD1 4.04Å; R580-M615 PolarHBondContact NH1-SD 3.27Å; R580-M615 PolarHBondContact NH2-SD 3.39Å
581	S	84.1	Confident	82.4	Confident	95 Å²	95	71.2 Å²	71.2	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-58.9	-42.9	179.6	-59.1	0	0	0	0	112.6	D577 E578 Y579	D577-S581 WeakPolarHBondContact O-CB 3.46Å; D577-S581 PolarHBondContact O-N 2.96Å; D577-S581 VanDerWaalsContact O-N 3.08Å; D577-S581 PolarHBondContact O-OG 3.23Å; E578-S581 PolarHBondContact O-N 3.03Å; Y579-S581 VanDerWaalsContact C-N 3.33Å; Y579-S581 PolarHBondContact O-N 3.3Å
582	R	84.6	Confident	80.4	Confident	171 Å²	171	80.1 Å²	80.1	65%	0.645	37%	0.374	S	S	*	.	H	α-helix	trans	-74.4	-35.9	177.8	-71.1	-176.6	178	148.6	6.1	114	E578 Y579 R580	E578-R582 PolarHBondContact O-N 3.19Å; E578-R582 IonicContact OE1-CZ 2.63Å; E578-R582 IonicContact OE1-NE 2.68Å; E578-R582 IonicContact OE1-NH1 2.75Å; E578-R582 PolarHBondContact OE1-NH1 3.43Å; E578-R582 IonicContact OE1-NH2 3.05Å; E578-R582 PolarHBondContact OE1-NH2 2.92Å; Y579-R582 PolarHBondContact O-N 3.32Å; R580-R582 PolarHBondContact O-N 2.91Å
583	F	80.3	Confident	78.1	Confident	74 Å²	74	83.1 Å²	83.1	33%	0.325	39%	0.387	S	S	.	.	H	α-helix	trans	-111.7	13.9	-167.2	-60	-69.6	0	0	0	115.1	Y579 R580 K585 F586 L587	Y579-F583 HydrophobicContact CD1-CB 4.31Å; Y579-F583 AromaticContact CD1-CD2 3.93Å; Y579-F583 HydrophobicContact CD1-CD2 3.93Å; Y579-F583 AromaticContact CD2-CD2 3.5Å; Y579-F583 HydrophobicContact CD2-CD2 3.5Å; Y579-F583 VanDerWaalsContact CD2-CD2 3.5Å; Y579-F583 AromaticContact CD2-CE2 3.68Å; Y579-F583 HydrophobicContact CD2-CE2 3.68Å; Y579-F583 HydrophobicContact CE1-CB 3.96Å; Y579-F583 AromaticContact CE1-CD2 3.85Å; Y579-F583 HydrophobicContact CE1-CD2 3.85Å; Y579-F583 HydrophobicContact CE1-CG 4.2Å; Y579-F583 AromaticContact CE2-CD2 3.41Å; Y579-F583 HydrophobicContact CE2-CD2 3.41Å; Y579-F583 VanDerWaalsContact CE2-CD2 3.41Å; Y579-F583 AromaticContact CE2-CE2 3.58Å; Y579-F583 HydrophobicContact CE2-CE2 3.58Å; Y579-F583 HydrophobicContact CE2-CG 4.3Å; Y579-F583 AromaticContact CG-CD2 3.74Å; Y579-F583 HydrophobicContact CG-CD2 3.74Å; Y579-F583 HydrophobicContact CG-CE2 4.34Å; Y579-F583 AromaticContact CZ-CD2 3.59Å; Y579-F583 WeakPolarHBondContact O-CB 3.43Å; Y579-F583 VanDerWaalsContact O-CD2 3.27Å; Y579-F583 WeakPolarHBondContact O-CD2 3.27Å; Y579-F583 PolarHBondContact O-N 3.36Å; R580-F583 PolarHBondContact O-N 3.27Å; F583-K585 PolarHBondContact O-N 2.83Å; F583-F586 HydrophobicContact CB-CD2 4.28Å; F583-F586 AromaticContact CD1-CD2 3.92Å; F583-F586 HydrophobicContact CD1-CD2 3.92Å; F583-F586 HydrophobicContact CD1-CE2 4.02Å; F583-F586 PolarHBondContact O-N 3.2Å; F583-L587 PolarHBondContact O-N 3.3Å
584	V	75.7	Confident	75.4	Confident	42 Å²	42	89.2 Å²	89.2	26%	0.255	42%	0.421	S	S	.	.	H	α-helix	trans	-42	-43.8	177.5	-174.8	0	0	0	0	113.1	R580 F586 L587 M588 N600 Y602	R580-V584 WeakPolarHBondContact O-CG2 3.4Å; R580-V584 PolarHBondContact O-N 2.89Å; V584-F586 PolarHBondContact O-N 3.33Å; V584-F586 VanDerWaalsContact O-N 3.12Å; V584-L587 PolarHBondContact O-N 2.97Å; V584-M588 PolarHBondContact O-N 3.43Å; V584-N600 HydrophobicContact CG1-CB 3.86Å; V584-Y602 HydrophobicContact CG1-CE2 3.93Å
585	K	72.1	Confident	72.7	Confident	114 Å²	114	83.6 Å²	83.6	50%	0.496	41%	0.407	S	S	.	.	H	α-helix	trans	-61.4	-21	-176.5	81.2	175.9	-172.1	-177.9	0	114.7	F583	F583-K585 PolarHBondContact O-N 2.83Å
586	F	74.9	Confident	69.9	Low	93 Å²	93	84.7 Å²	84.7	41%	0.408	42%	0.42	S	S	.	.	H	α-helix	trans	-98.6	-19.5	178	-62.1	-68.8	0	0	0	112.1	Y509 P567 F583 V584	Y509-F586 PolarHBondContact OH-O 3.41Å; P567-F586 WeakPolarHBondContact CG-O 3.39Å; F583-F586 HydrophobicContact CB-CD2 4.28Å; F583-F586 AromaticContact CD1-CD2 3.92Å; F583-F586 HydrophobicContact CD1-CD2 3.92Å; F583-F586 HydrophobicContact CD1-CE2 4.02Å; F583-F586 PolarHBondContact O-N 3.2Å; V584-F586 PolarHBondContact O-N 3.33Å; V584-F586 VanDerWaalsContact O-N 3.12Å
587	L	76.7	Confident	67.1	Low	2 Å²	2	92.1 Å²	92.1	1%	0.01	46%	0.46	C	S	.	.	H	α-helix	trans	-82.6	-28.2	178.3	-63.9	176.6	0	0	0	112.3	G544 S545 R580 F583 V584	G544-L587 CarbonylContact C-O 3.55Å; G544-L587 WeakPolarHBondContact CA-O 3.38Å; S545-L587 PolarHBondContact N-O 3.14Å; R580-L587 HydrophobicContact CB-CD1 4.47Å; R580-L587 HydrophobicContact CG-CD1 4.04Å; F583-L587 PolarHBondContact O-N 3.3Å; V584-L587 PolarHBondContact O-N 2.97Å
588	M	73.8	Confident	64.5	Low	1 Å²	1	92.8 Å²	92.8	1%	0.005	47%	0.468	C	S	.	.	S	Bend	trans	-152.7	156.2	172.9	-92.3	-146.1	152.4	0	0	114.9	I506 S545 L546 L566 V584 Y602	I506-M588 HydrophobicContact CB-CE 4.49Å; I506-M588 HydrophobicContact CD1-CE 3.54Å; I506-M588 HydrophobicContact CD1-SD 3.91Å; I506-M588 HydrophobicContact CG1-CE 3.64Å; I506-M588 HydrophobicContact CG1-SD 4.06Å; I506-M588 HydrophobicContact CG2-CE 3.99Å; S545-M588 VanDerWaalsContact OG-CG 3.22Å; S545-M588 WeakPolarHBondContact OG-CG 3.29Å; S545-M588 PolarHBondContact OG-SD 3.24Å; L546-M588 HydrophobicContact CD1-CE 3.69Å; L546-M588 HydrophobicContact CD2-CE 3.79Å; L546-M588 HydrophobicContact CD2-SD 4.11Å; L546-M588 HydrophobicContact CG-CE 3.63Å; L546-M588 HydrophobicContact CG-SD 4.5Å; L566-M588 HydrophobicContact CD2-CE 4.18Å; V584-M588 PolarHBondContact O-N 3.43Å; M588-Y602 VanDerWaalsContact C-OH 3.24Å; M588-Y602 HydrophobicContact CB-CE1 4.28Å; M588-Y602 HydrophobicContact CB-CE2 4.22Å; M588-Y602 VanDerWaalsContact CB-OH 3.32Å; M588-Y602 WeakPolarHBondContact CB-OH 3.4Å; M588-Y602 PolarHBondContact O-OH 3.38Å; M588-Y602 VanDerWaalsContact O-OH 3.1Å
589	P	67.2	Low	62.2	Low	13 Å²	13	95 Å²	95	8%	0.084	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-68.4	129.9	-179.1	25.7	-33.4	0	0	0	113.2	I506 Y509 I591 Y602	I506-P589 HydrophobicContact CG1-CG 4.03Å; Y509-P589 HydrophobicContact CD1-CB 4.46Å; Y509-P589 HydrophobicContact CD1-CG 4.32Å; Y509-P589 HydrophobicContact CD2-CB 3.64Å; Y509-P589 HydrophobicContact CD2-CG 4.33Å; Y509-P589 HydrophobicContact CE2-CB 4.33Å; Y509-P589 HydrophobicContact CG-CB 3.7Å; Y509-P589 HydrophobicContact CG-CG 3.87Å; P589-I591 PolarHBondContact O-N 3Å; P589-Y602 VanDerWaalsContact C-OH 3.25Å; P589-Y602 PolarHBondContact O-OH 3.33Å
590	K	62.3	Low	60.3	Low	133 Å²	133	94.7 Å²	94.7	58%	0.578	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-50.3	128.2	172	-62.8	-160.4	170.1	-167.1	0	111.5	K592 N600	K590-K592 PolarHBondContact O-N 3.01Å; K590-N600 WeakPolarHBondContact CG-OD1 3.42Å
591	I	58.5	Low	58.8	Low	47 Å²	47	95.8 Å²	95.8	24%	0.241	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-66.8	125.7	167.6	-59.2	165	0	0	0	107.7	L502 P589 D593 Y602 T605	L502-I591 HydrophobicContact CD1-CG1 4.04Å; L502-I591 HydrophobicContact CD2-CD1 4.38Å; P589-I591 PolarHBondContact O-N 3Å; I591-D593 VanDerWaalsContact C-N 3.32Å; I591-D593 HydrophobicContact CG2-CB 4.09Å; I591-D593 VanDerWaalsContact CG2-OD2 3.22Å; I591-D593 WeakPolarHBondContact CG2-OD2 3.31Å; I591-D593 PolarHBondContact O-N 3.34Å; I591-Y602 HydrophobicContact CD1-CD1 3.72Å; I591-Y602 HydrophobicContact CD1-CE1 4.03Å; I591-Y602 HydrophobicContact CG1-CD1 4.15Å; I591-Y602 HydrophobicContact CG1-CE1 3.95Å; I591-T605 HydrophobicContact CD1-CG2 3.59Å
592	K	52.2	Low	57.6	Low	196 Å²	196	92.2 Å²	92.2	85%	0.852	47%	0.467	S	S	*	.			trans	-92.1	64.8	171.4	-69.9	-174.9	-179.3	176.9	0	109.9	K590	K590-K592 PolarHBondContact O-N 3.01Å
593	D	45.7	Very low	56.3	Low	94 Å²	94	91.3 Å²	91.3	50%	0.503	47%	0.468	S	S	.	.			trans	-88.6	135.3	165.3	-75.5	-28.2	0	0	0	108.5	I591 S595	I591-D593 VanDerWaalsContact C-N 3.32Å; I591-D593 HydrophobicContact CG2-CB 4.09Å; I591-D593 VanDerWaalsContact CG2-OD2 3.22Å; I591-D593 WeakPolarHBondContact CG2-OD2 3.31Å; I591-D593 PolarHBondContact O-N 3.34Å; D593-S595 PolarHBondContact O-N 2.83Å
594	N	39.4	Very low	55.3	Low	174 Å²	174	93.8 Å²	93.8	93%	0.93	49%	0.485	S	S	*	.	S	Bend	trans	-74.2	16	-171.1	-74.8	-24.3	0	0	0	114.1
595	S	37.8	Very low	54.7	Low	84 Å²	84	92.6 Å²	92.6	59%	0.587	48%	0.477	S	S	*	.	S	Bend	trans	-84.8	124.9	174.3	53.1	0	0	0	0	111	D593 N597	D593-S595 PolarHBondContact O-N 2.83Å; S595-N597 PolarHBondContact O-N 3.37Å
596	V	34.6	Very low	54.9	Low	125 Å²	125	91.6 Å²	91.6	76%	0.758	48%	0.481	S	S	*	.	S	Bend	trans	-46.8	130.4	-178.3	176.5	0	0	0	0	113.6	T598	V596-T598 PolarHBondContact O-N 3.19Å
597	N	32.4	Very low	54.8	Low	157 Å²	157	87.5 Å²	87.5	84%	0.84	47%	0.465	S	S	*	.	S	Bend	trans	29.4	68.1	158.6	-66	-17.3	0	0	0	117.5	S595	S595-N597 PolarHBondContact O-N 3.37Å
598	T	35.7	Very low	54.7	Low	121 Å²	121	90.5 Å²	90.5	74%	0.742	48%	0.484	S	S	*	.			trans	-131.7	152.8	159.2	40.5	0	0	0	0	110.6	V596	V596-T598 PolarHBondContact O-N 3.19Å
599	D	42.8	Very low	54.8	Low	147 Å²	147	92 Å²	92	79%	0.786	50%	0.495	S	S	*	.			trans	-62	169.5	-168.3	-66.6	-67.9	0	0	0	114.5	N601	D599-N601 PolarHBondContact O-N 2.96Å
600	N	51.3	Low	55.6	Low	50 Å²	50	92.7 Å²	92.7	27%	0.267	50%	0.504	S	S	.	.			trans	-65.4	63.1	-177.9	-53.3	-61.7	0	0	0	112.8	V584 K590 Y602	V584-N600 HydrophobicContact CG1-CB 3.86Å; K590-N600 WeakPolarHBondContact CG-OD1 3.42Å; N600-Y602 HydrophobicContact CB-CE2 3.96Å; N600-Y602 WeakPolarHBondContact O-CD2 3.3Å; N600-Y602 WeakPolarHBondContact O-CE2 3.35Å; N600-Y602 PolarHBondContact O-N 3.21Å; N600-Y602 VanDerWaalsContact O-N 3.12Å
601	N	53	Low	56.6	Low	79 Å²	79	90.4 Å²	90.4	42%	0.422	50%	0.501	S	S	.	.			trans	-95.8	68.2	-163.7	-149.5	6.7	0	0	0	111.2	D599 K603 N604	D599-N601 PolarHBondContact O-N 2.96Å; N601-K603 PolarHBondContact O-N 3.31Å; N601-K603 WeakPolarHBondContact OD1-CB 3.43Å; N601-N604 PolarHBondContact O-N 3.02Å
602	Y	59.1	Low	57.8	Low	19 Å²	19	89.7 Å²	89.7	8%	0.075	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-52.5	-16.2	172	-51.4	-86	0	0	0	113.2	L502 V584 M588 P589 I591 N600 N604 T605	L502-Y602 HydrophobicContact CD1-CD1 3.93Å; L502-Y602 HydrophobicContact CD1-CE1 3.75Å; L502-Y602 HydrophobicContact CD2-CD1 3.8Å; L502-Y602 HydrophobicContact CD2-CE1 4.47Å; V584-Y602 HydrophobicContact CG1-CE2 3.93Å; M588-Y602 VanDerWaalsContact C-OH 3.24Å; M588-Y602 HydrophobicContact CB-CE1 4.28Å; M588-Y602 HydrophobicContact CB-CE2 4.22Å; M588-Y602 VanDerWaalsContact CB-OH 3.32Å; M588-Y602 WeakPolarHBondContact CB-OH 3.4Å; M588-Y602 PolarHBondContact O-OH 3.38Å; M588-Y602 VanDerWaalsContact O-OH 3.1Å; P589-Y602 VanDerWaalsContact C-OH 3.25Å; P589-Y602 PolarHBondContact O-OH 3.33Å; I591-Y602 HydrophobicContact CD1-CD1 3.72Å; I591-Y602 HydrophobicContact CD1-CE1 4.03Å; I591-Y602 HydrophobicContact CG1-CD1 4.15Å; I591-Y602 HydrophobicContact CG1-CE1 3.95Å; N600-Y602 HydrophobicContact CB-CE2 3.96Å; N600-Y602 WeakPolarHBondContact O-CD2 3.3Å; N600-Y602 WeakPolarHBondContact O-CE2 3.35Å; N600-Y602 PolarHBondContact O-N 3.21Å; N600-Y602 VanDerWaalsContact O-N 3.12Å; Y602-N604 PolarHBondContact O-N 2.93Å; Y602-T605 PolarHBondContact O-N 3.36Å; Y602-T605 PolarHBondContact O-OG1 2.69Å
603	K	56.8	Low	59.5	Low	152 Å²	152	81.9 Å²	81.9	66%	0.661	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-60.1	-25.1	172.4	-61.6	-175.9	176.7	-177.9	0	113.6	N601 V611	N601-K603 PolarHBondContact O-N 3.31Å; N601-K603 WeakPolarHBondContact OD1-CB 3.43Å; K603-V611 VanDerWaalsContact O-CG1 3.26Å; K603-V611 WeakPolarHBondContact O-CG1 3.26Å
604	N	59.3	Low	61.6	Low	126 Å²	126	81.8 Å²	81.8	67%	0.674	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-95.7	-5.9	-179.6	-70.1	9.7	0	0	0	113.2	N601 Y602 V606	N601-N604 PolarHBondContact O-N 3.02Å; Y602-N604 PolarHBondContact O-N 2.93Å; N604-V606 PolarHBondContact O-N 2.84Å
605	T	64.5	Low	64	Low	17 Å²	17	75.2 Å²	75.2	10%	0.104	44%	0.435	C	S	.	.			trans	-78.2	114.9	174.6	58.8	0	0	0	0	109.9	L502 I591 Y602	L502-T605 HydrophobicContact CD2-CG2 4.24Å; I591-T605 HydrophobicContact CD1-CG2 3.59Å; Y602-T605 PolarHBondContact O-N 3.36Å; Y602-T605 PolarHBondContact O-OG1 2.69Å
606	V	74.3	Confident	66.6	Low	94 Å²	94	75.7 Å²	75.7	57%	0.57	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.4	173.3	-174.1	0	0	0	0	108.7	N604 V611	N604-V606 PolarHBondContact O-N 2.84Å; V606-V611 HydrophobicContact CG2-CG2 4.05Å
607	G	74.7	Confident	69.4	Low	7 Å²	7	72.6 Å²	72.6	7%	0.072	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	177.5	167.4	0	0	0	0	0	111.9	Y497 C609 G610	Y497-G607 WeakPolarHBondContact O-CA 3.47Å; Y497-G607 PolarHBondContact O-N 2.85Å; G607-C609 PolarHBondContact O-N 2.81Å; G607-G610 PolarHBondContact N-O 3.36Å; G607-G610 WeakPolarHBondContact O-CA 3.45Å; G607-G610 PolarHBondContact O-N 3.06Å
608	P	73.1	Confident	72.4	Confident	64 Å²	64	70.2 Å²	70.2	42%	0.416	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.1	174.4	-30	35.8	0	0	0	115.4	F489 N496 G610	F489-P608 HydrophobicContact CD1-CB 3.4Å; F489-P608 VanDerWaalsContact CD1-CB 3.4Å; F489-P608 HydrophobicContact CD1-CG 4.01Å; F489-P608 HydrophobicContact CD2-CB 4.24Å; F489-P608 HydrophobicContact CE1-CB 3.22Å; F489-P608 HydrophobicContact CE1-CG 3.4Å; F489-P608 VanDerWaalsContact CE1-CG 3.4Å; F489-P608 HydrophobicContact CE2-CB 4.11Å; F489-P608 HydrophobicContact CG-CB 3.92Å; F489-P608 HydrophobicContact CZ-CB 3.61Å; F489-P608 HydrophobicContact CZ-CG 3.87Å; N496-P608 VanDerWaalsContact O-CD 3.25Å; N496-P608 WeakPolarHBondContact O-CD 3.14Å; P608-G610 VanDerWaalsContact C-N 3.3Å
609	C	77.5	Confident	75.2	Confident	34 Å²	34	69.9 Å²	69.9	23%	0.23	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	6.9	174.5	-67.3	0	0	0	0	114.2	N496 Y497 G607	N496-C609 HydrophobicContact CB-CB 4.4Å; N496-C609 WeakPolarHBondContact CB-SG 3.26Å; N496-C609 PolarHBondContact O-N 3.07Å; Y497-C609 HydrophobicContact CD1-CB 3.81Å; Y497-C609 HydrophobicContact CD2-CB 4.2Å; Y497-C609 HydrophobicContact CE1-CB 3.56Å; Y497-C609 VanDerWaalsContact CE1-O 3.24Å; Y497-C609 WeakPolarHBondContact CE1-O 3.35Å; Y497-C609 HydrophobicContact CE2-CB 3.97Å; Y497-C609 HydrophobicContact CG-CB 4.12Å; G607-C609 PolarHBondContact O-N 2.81Å
610	G	82.5	Confident	77.6	Confident	26 Å²	26	63.6 Å²	63.6	27%	0.268	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	99.7	-157.7	-177	0	0	0	0	0	113.6	G607 P608	G607-G610 PolarHBondContact N-O 3.36Å; G607-G610 WeakPolarHBondContact O-CA 3.45Å; G607-G610 PolarHBondContact O-N 3.06Å; P608-G610 VanDerWaalsContact C-N 3.3Å
611	V	84.3	Confident	79.4	Confident	85 Å²	85	66.8 Å²	66.8	52%	0.515	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.7	176.6	174.6	0	0	0	0	110.3	Y497 K603 V606 P613	Y497-V611 WeakPolarHBondContact CD1-O 3.19Å; K603-V611 VanDerWaalsContact O-CG1 3.26Å; K603-V611 WeakPolarHBondContact O-CG1 3.26Å; V606-V611 HydrophobicContact CG2-CG2 4.05Å; V611-P613 WeakPolarHBondContact O-CD 3.37Å
612	L	83.7	Confident	81.1	Confident	32 Å²	32	66.8 Å²	66.8	17%	0.168	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-61	119.3	174.7	-173.5	78.2	0	0	0	110.7	I494 Y497 F498 P698	I494-L612 HydrophobicContact CG2-CD1 4.32Å; Y497-L612 HydrophobicContact CG-CD1 4.24Å; F498-L612 HydrophobicContact CE1-CD1 3.97Å; F498-L612 HydrophobicContact CE1-CD2 3.89Å; F498-L612 HydrophobicContact CE1-CG 4.44Å; F498-L612 HydrophobicContact CZ-CD1 3.92Å; F498-L612 HydrophobicContact CZ-CD2 4.15Å; L612-P698 HydrophobicContact CD1-CB 3.92Å; L612-P698 HydrophobicContact CD1-CG 4Å; L612-P698 HydrophobicContact CG-CB 4.2Å; L612-P698 HydrophobicContact CG-CG 4.37Å
613	P	87.4	Confident	82.5	Confident	32 Å²	32	66.4 Å²	66.4	21%	0.208	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-65.2	159	179.1	24.3	-32.2	0	0	0	112.6	V611 P698 L701	V611-P613 WeakPolarHBondContact O-CD 3.37Å; P613-P698 HydrophobicContact CG-CB 3.88Å; P613-L701 HydrophobicContact CG-CD1 4.31Å
614	P	88.7	Confident	83.9	Confident	92 Å²	92	66.4 Å²	66.4	60%	0.597	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-60.7	162.2	173.1	29.1	-36	0	0	0	111.1	E616 P698 G699	P614-E616 PolarHBondContact O-N 3.39Å; P614-P698 CarbonylContact O-C 3.55Å; P614-P698 WeakPolarHBondContact O-CA 3.34Å; P614-G699 PolarHBondContact O-N 3.18Å
615	M	89.7	Confident	84.9	Confident	36 Å²	36	61.9 Å²	61.9	18%	0.177	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129	175.2	-75.7	-143	79.2	0	0	111.4	R580 W696 T697	R580-M615 PolarHBondContact NH1-SD 3.27Å; R580-M615 PolarHBondContact NH2-SD 3.39Å; M615-W696 HydrophobicContact CB-CE3 4.44Å; M615-W696 HydrophobicContact CE-CB 3.75Å; M615-W696 VanDerWaalsContact CE-O 3.27Å; M615-W696 WeakPolarHBondContact CE-O 3.37Å; M615-T697 VanDerWaalsContact CE-C 3.44Å; M615-T697 VanDerWaalsContact CE-N 3.29Å
616	E	93.3	Very high	85.5	Confident	94 Å²	94	62.3 Å²	62.3	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.9	179.7	-67.2	173.2	-176.3	0	0	110.1	P614 W696 T697 A700	P614-E616 PolarHBondContact O-N 3.39Å; E616-W696 WeakPolarHBondContact O-CA 3.36Å; E616-T697 PolarHBondContact N-O 2.92Å; E616-T697 PolarHBondContact O-N 3.12Å; E616-A700 HydrophobicContact CB-CB 4.03Å
617	S	94	Very high	85.4	Confident	60 Å²	60	61.6 Å²	61.6	42%	0.42	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.1	-175.8	59.3	0	0	0	0	112.3	A695	S617-A695 CarbonylContact C-O 3.58Å; S617-A695 WeakPolarHBondContact CA-O 3.24Å
618	K	94.7	Very high	85.5	Confident	107 Å²	107	65.7 Å²	65.7	47%	0.465	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119	161.1	-175.7	174.9	178.3	-179.9	0	109.1	A695 A700 I703	K618-A695 PolarHBondContact N-O 2.95Å; K618-A695 PolarHBondContact O-N 3.35Å; K618-A700 HydrophobicContact CB-CB 4.42Å; K618-I703 HydrophobicContact CB-CD1 3.81Å; K618-I703 HydrophobicContact CD-CB 4.44Å; K618-I703 HydrophobicContact CD-CG2 4.35Å
619	N	94.3	Very high	85.8	Confident	114 Å²	114	63 Å²	63	61%	0.61	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	135	168.4	-67.9	-17.7	0	0	0	108.8
620	L	92.9	Very high	85.9	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-92.1	153.6	177.8	-61.3	175.8	0	0	0	109.9	L549 V636 L693 A695 I703 L705	L549-L620 HydrophobicContact CD1-CD1 4.12Å; L620-V636 HydrophobicContact CD1-CG1 3.85Å; L620-V636 HydrophobicContact CD1-CG2 3.88Å; L620-L693 HydrophobicContact CB-CB 4.48Å; L620-L693 HydrophobicContact CD1-CB 3.92Å; L620-L693 HydrophobicContact CD1-CD1 4.49Å; L620-L693 PolarHBondContact N-O 3.21Å; L620-A695 HydrophobicContact CD1-CB 3.97Å; L620-A695 HydrophobicContact CD2-CB 4.09Å; L620-A695 HydrophobicContact CG-CB 4.09Å; L620-I703 HydrophobicContact CD2-CG2 3.91Å; L620-L705 HydrophobicContact CD1-CD2 4.08Å; L620-L705 HydrophobicContact CD2-CD1 4.41Å; L620-L705 HydrophobicContact CD2-CD2 4.06Å; L620-L705 HydrophobicContact CD2-CG 4.24Å
621	D	90.5	Very high	85.9	Confident	117 Å²	117	67.6 Å²	67.6	63%	0.626	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-59.5	148.5	174	-54.1	-52.3	0	0	0	110.3	I623	D621-I623 PolarHBondContact O-N 3.14Å
622	P	88.4	Confident	86	Confident	80 Å²	80	64 Å²	64	52%	0.519	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-56.3	131	-179.9	-23.9	33.7	0	0	0	112.2	D690 L692	P622-D690 HydrophobicContact CB-CB 3.91Å; P622-L692 HydrophobicContact CB-CD2 3.97Å; P622-L692 HydrophobicContact CG-CD2 3.93Å
623	I	88.3	Confident	86.1	Confident	11 Å²	11	64.5 Å²	64.5	6%	0.056	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.7	-178.7	-57.8	159.6	0	0	0	108.6	D621 N633 I634 D690 I691 L693	D621-I623 PolarHBondContact O-N 3.14Å; I623-N633 HydrophobicContact CG2-CB 4.17Å; I623-I634 HydrophobicContact CD1-CG2 3.75Å; I623-I634 HydrophobicContact CG1-CG2 4.1Å; I623-I634 HydrophobicContact CG2-CG2 3.95Å; I623-D690 WeakPolarHBondContact O-CA 3.47Å; I623-I691 HydrophobicContact CB-CB 4.24Å; I623-I691 PolarHBondContact N-O 3.05Å; I623-I691 PolarHBondContact O-N 3.12Å; I623-L693 HydrophobicContact CD1-CD1 3.7Å; I623-L693 HydrophobicContact CD1-CG 4.17Å
624	E	85	Confident	86.3	Confident	151 Å²	151	64.6 Å²	64.6	71%	0.706	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	149.9	174.1	-63.5	179.2	178.1	0	0	111.7	N633	E624-N633 PolarHBondContact O-ND2 2.94Å
625	T	81	Confident	86.6	Confident	31 Å²	31	60.2 Å²	60.2	19%	0.19	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-83.7	150.1	174.8	38.7	0	0	0	0	113.1	P555 G648 A689 I691	P555-T625 HydrophobicContact CG-CG2 3.63Å; T625-G648 WeakPolarHBondContact CB-O 3.47Å; T625-G648 WeakPolarHBondContact CG2-O 3.48Å; T625-A689 VanDerWaalsContact CG2-O 3.26Å; T625-A689 WeakPolarHBondContact CG2-O 3.19Å; T625-A689 PolarHBondContact OG1-O 2.67Å; T625-I691 HydrophobicContact CG2-CD1 4.12Å; T625-I691 HydrophobicContact CG2-CG1 3.98Å
626	V	77	Confident	86.9	Confident	27 Å²	27	58.5 Å²	58.5	16%	0.164	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-86.3	151.6	175.4	-92.3	0	0	0	0	111.8	N633 A647 G648	V626-N633 WeakPolarHBondContact CG1-ND2 3.12Å; V626-N633 VanDerWaalsContact CG1-OD1 3.27Å; V626-N633 WeakPolarHBondContact CG1-OD1 3.48Å; V626-N633 VanDerWaalsContact CG2-OD1 3.26Å; V626-N633 WeakPolarHBondContact CG2-OD1 3.39Å; V626-N633 PolarHBondContact N-ND2 2.83Å; V626-A647 HydrophobicContact CG2-CB 4.46Å; V626-G648 VanDerWaalsContact CG2-O 3.24Å; V626-G648 WeakPolarHBondContact CG2-O 3.44Å; V626-G648 PolarHBondContact N-O 2.76Å
627	P	71.4	Confident	87	Confident	78 Å²	78	54.1 Å²	54.1	51%	0.506	29%	0.292	S	S	.	.	S	Bend	trans	-66.6	-38.8	172.2	26.9	-33.7	0	0	0	112.1	L649 N653	P627-L649 WeakPolarHBondContact O-CD2 3.49Å; P627-N653 WeakPolarHBondContact CA-ND2 3.38Å; P627-N653 PolarHBondContact O-ND2 2.91Å
628	N	77	Confident	87	Confident	94 Å²	94	51.2 Å²	51.2	50%	0.503	27%	0.272	S	S	.	.	S	Bend	trans	-131.8	139.5	-173.8	-55	7.8	0	0	0	110	D630	N628-D630 HydrophobicContact CB-CB 4.33Å; N628-D630 PolarHBondContact O-N 2.86Å
629	L	80.4	Confident	86.9	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	35.7	175.7	-68	173.9	0	0	0	114.3	Y559 A647 L649 I714 R717	Y559-L629 HydrophobicContact CD2-CD1 3.96Å; Y559-L629 HydrophobicContact CD2-CD2 3.61Å; Y559-L629 HydrophobicContact CD2-CG 4.45Å; Y559-L629 HydrophobicContact CE2-CD1 3.35Å; Y559-L629 HydrophobicContact CE2-CD2 3.83Å; Y559-L629 HydrophobicContact CE2-CG 4.25Å; Y559-L629 HydrophobicContact CG-CD2 4.48Å; L629-A647 HydrophobicContact CD2-CB 4.27Å; L629-L649 HydrophobicContact CD1-CD1 3.53Å; L629-L649 HydrophobicContact CD1-CG 4.01Å; L629-L649 HydrophobicContact CD2-CD1 4.33Å; L629-L649 HydrophobicContact CD2-CG 3.87Å; L629-L649 HydrophobicContact CG-CD1 3.69Å; L629-L649 HydrophobicContact CG-CD2 4.05Å; L629-L649 HydrophobicContact CG-CG 3.61Å; L629-I714 HydrophobicContact CB-CD1 4.3Å; L629-I714 HydrophobicContact CD2-CD1 4.07Å; L629-I714 WeakPolarHBondContact O-CG2 3.39Å; L629-R717 VanDerWaalsContact CB-NH1 3.3Å; L629-R717 PolarHBondContact O-NH1 3.36Å
630	D	79.7	Confident	86.4	Confident	72 Å²	72	41.3 Å²	41.3	39%	0.385	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-25.7	-175.8	-101.9	17	0	0	0	112.9	N628 Y712 K715	N628-D630 HydrophobicContact CB-CB 4.33Å; N628-D630 PolarHBondContact O-N 2.86Å; D630-Y712 WeakPolarHBondContact O-CD1 3.27Å; D630-K715 WeakPolarHBondContact O-CE 3.26Å; D630-K715 WeakPolarHBondContact O-CG 3.46Å; D630-K715 WeakPolarHBondContact OD1-CE 3.48Å; D630-K715 IonicContact OD1-NZ 2.74Å; D630-K715 PolarHBondContact OD1-NZ 2.66Å; D630-K715 VanDerWaalsContact OD2-CE 3.27Å; D630-K715 WeakPolarHBondContact OD2-CE 3.23Å; D630-K715 IonicContact OD2-NZ 3.57Å; D630-K715 PolarHBondContact OD2-NZ 3.5Å
631	Q	82.7	Confident	86.3	Confident	86 Å²	86	40.7 Å²	40.7	40%	0.402	22%	0.224	S	C	.	.	S	Bend	trans	-138.5	150.2	-178.6	-63.2	-175.3	49.1	0	0	109	P711 Y712	Q631-P711 CarbonylContact C-O 3.54Å; Q631-P711 WeakPolarHBondContact CA-O 3.46Å; Q631-P711 HydrophobicContact CB-CB 4.17Å; Q631-P711 HydrophobicContact CG-CB 4.32Å; Q631-Y712 HydrophobicContact CG-CD1 3.79Å; Q631-Y712 HydrophobicContact CG-CE1 3.43Å; Q631-Y712 VanDerWaalsContact CG-CE1 3.43Å; Q631-Y712 PolarHBondContact NE2-OH 2.64Å
632	S	85.4	Confident	86.3	Confident	10 Å²	10	35.8 Å²	35.8	7%	0.07	20%	0.201	C	C	.	.			trans	-75.8	156.3	163.1	49	0	0	0	0	111.7	V646 P708 P711	S632-V646 WeakPolarHBondContact CB-O 3.33Å; S632-P708 WeakPolarHBondContact O-CG 3.32Å; S632-P708 WeakPolarHBondContact OG-CB 3.26Å; S632-P711 PolarHBondContact N-O 3.31Å
633	N	86.2	Confident	86.6	Confident	42 Å²	42	32 Å²	32	23%	0.225	18%	0.177	C	C	.	.	S	Bend	trans	-87.3	-47	-177.8	-56.8	43.2	0	0	0	110	I623 E624 V626 V646 A647 P708	I623-N633 HydrophobicContact CG2-CB 4.17Å; E624-N633 PolarHBondContact O-ND2 2.94Å; V626-N633 WeakPolarHBondContact CG1-ND2 3.12Å; V626-N633 VanDerWaalsContact CG1-OD1 3.27Å; V626-N633 WeakPolarHBondContact CG1-OD1 3.48Å; V626-N633 VanDerWaalsContact CG2-OD1 3.26Å; V626-N633 WeakPolarHBondContact CG2-OD1 3.39Å; V626-N633 PolarHBondContact N-ND2 2.83Å; N633-V646 PolarHBondContact N-O 3.41Å; N633-A647 WeakPolarHBondContact OD1-CA 3.16Å; N633-P708 WeakPolarHBondContact O-CD 3.49Å
634	I	92.5	Very high	86.9	Confident	34 Å²	34	31.5 Å²	31.5	17%	0.174	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.6	-169	-156.3	163.4	0	0	0	111.2	I623 S645 V646 L705 R706	I623-I634 HydrophobicContact CD1-CG2 3.75Å; I623-I634 HydrophobicContact CG1-CG2 4.1Å; I623-I634 HydrophobicContact CG2-CG2 3.95Å; I634-S645 WeakPolarHBondContact O-CA 3.25Å; I634-V646 HydrophobicContact CG2-CB 4.12Å; I634-V646 PolarHBondContact O-N 3.15Å; I634-L705 HydrophobicContact CD1-CB 3.9Å; I634-L705 HydrophobicContact CD1-CD1 3.99Å; I634-L705 HydrophobicContact CD1-CD2 4.08Å; I634-L705 HydrophobicContact CD1-CG 4.21Å; I634-L705 HydrophobicContact CG1-CB 4.34Å; I634-L705 HydrophobicContact CG1-CD2 4.4Å; I634-R706 WeakPolarHBondContact CG1-O 3.14Å
635	D	93.9	Very high	87.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.5	167	-84.6	-0.1	0	0	0	109	W643 S645 L705 R706 P708 L709	D635-W643 VanDerWaalsContact CG-CD1 3.43Å; D635-W643 PolarHBondContact OD2-NE1 3.15Å; D635-S645 WeakPolarHBondContact OD1-CB 3.35Å; D635-S645 PolarHBondContact OD1-OG 3.13Å; D635-L705 WeakPolarHBondContact O-CA 3.28Å; D635-R706 HydrophobicContact CB-CG 3.63Å; D635-R706 PolarHBondContact N-O 3.12Å; D635-R706 PolarHBondContact O-N 3.04Å; D635-R706 VanDerWaalsContact O-N 3.07Å; D635-R706 IonicContact OD2-CZ 2.7Å; D635-R706 IonicContact OD2-NE 3.9Å; D635-R706 PolarHBondContact OD2-NE 3.41Å; D635-R706 VanDerWaalsContact OD2-NE 3.16Å; D635-R706 IonicContact OD2-NH2 2.73Å; D635-R706 PolarHBondContact OD2-NH2 2.8Å; D635-P708 WeakPolarHBondContact OD1-CA 3.47Å; D635-L709 PolarHBondContact OD2-N 3.27Å
636	V	95.8	Very high	87.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.2	165	-175.3	0	0	0	0	108.2	L549 L620 L638 W643 V644 V646 L693 A695 L705	L549-V636 HydrophobicContact CD1-CG1 4.13Å; L549-V636 HydrophobicContact CD2-CB 4.34Å; L549-V636 HydrophobicContact CD2-CG1 4.46Å; L549-V636 HydrophobicContact CD2-CG2 4.33Å; L620-V636 HydrophobicContact CD1-CG1 3.85Å; L620-V636 HydrophobicContact CD1-CG2 3.88Å; V636-L638 HydrophobicContact CG1-CD2 4.09Å; V636-L638 HydrophobicContact CG1-CG 4.47Å; V636-W643 CarbonylContact O-C 3.57Å; V636-W643 VanDerWaalsContact O-CA 3.22Å; V636-W643 WeakPolarHBondContact O-CA 3.36Å; V636-W643 WeakPolarHBondContact O-CB 3.13Å; V636-V644 PolarHBondContact N-O 2.96Å; V636-V644 PolarHBondContact O-N 2.9Å; V636-V646 HydrophobicContact CG2-CG2 3.96Å; V636-L693 HydrophobicContact CG2-CD1 4.47Å; V636-A695 HydrophobicContact CG1-CB 4.34Å; V636-L705 HydrophobicContact CB-CD2 4.37Å; V636-L705 HydrophobicContact CG1-CD2 4.47Å; V636-L705 HydrophobicContact CG2-CD2 3.83Å
637	V	95.2	Very high	88.6	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128	178.4	-175.7	0	0	0	0	109.5	W643 I703 S704 R706	V637-W643 HydrophobicContact CB-CB 4.45Å; V637-W643 HydrophobicContact CG2-CB 4.12Å; V637-I703 WeakPolarHBondContact O-CA 3.46Å; V637-S704 PolarHBondContact N-O 3.11Å; V637-S704 PolarHBondContact O-N 3.05Å; V637-R706 HydrophobicContact CG2-CG 4.12Å
638	L	95.1	Very high	89.3	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	102.4	177	-57.7	-178.8	0	0	0	108.1	M543 V636 G640 A641 G642 A695 T697 I703	M543-L638 HydrophobicContact SD-CD1 3.93Å; V636-L638 HydrophobicContact CG1-CD2 4.09Å; V636-L638 HydrophobicContact CG1-CG 4.47Å; L638-G640 PolarHBondContact O-N 3.12Å; L638-A641 HydrophobicContact CB-CB 3.99Å; L638-A641 WeakPolarHBondContact O-CB 3.19Å; L638-A641 PolarHBondContact O-N 3.12Å; L638-G642 CarbonylContact C-O 3.56Å; L638-G642 PolarHBondContact N-O 3.09Å; L638-G642 PolarHBondContact O-N 3.02Å; L638-A695 HydrophobicContact CD2-CB 3.89Å; L638-T697 HydrophobicContact CB-CG2 4.28Å; L638-T697 HydrophobicContact CD2-CG2 4.11Å; L638-I703 HydrophobicContact CD2-CG1 4.13Å
639	S	91.7	Very high	89.3	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	134.1	-167.3	-167.8	0	0	0	0	113	N201 D492 I494 A641 G702	N201-S639 VanDerWaalsContact CG-OG 3.31Å; N201-S639 PolarHBondContact ND2-OG 3.47Å; N201-S639 VanDerWaalsContact OD1-CA 3.27Å; N201-S639 WeakPolarHBondContact OD1-CA 3.22Å; N201-S639 PolarHBondContact OD1-OG 3.19Å; D492-S639 WeakPolarHBondContact O-CB 3.48Å; I494-S639 VanDerWaalsContact CD1-O 3.23Å; I494-S639 WeakPolarHBondContact CD1-O 3.35Å; S639-A641 PolarHBondContact O-N 3.31Å; S639-G702 WeakPolarHBondContact CB-O 3.46Å; S639-G702 PolarHBondContact N-O 3.49Å
640	G	85.4	Confident	89	Confident	12 Å²	12	15.1 Å²	15.1	12%	0.124	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-24.5	-175.4	0	0	0	0	0	115.7	N201 L638	N201-G640 PolarHBondContact OD1-N 2.81Å; L638-G640 PolarHBondContact O-N 3.12Å
641	A	89.2	Confident	88.5	Confident	3 Å²	3	17.8 Å²	17.8	3%	0.025	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-38.6	175.2	0	0	0	0	0	112.5	M543 L546 S564 L566 L638 S639	M543-A641 HydrophobicContact CB-CB 4.18Å; L546-A641 HydrophobicContact CB-CB 3.91Å; S564-A641 VanDerWaalsContact CB-O 3.27Å; S564-A641 WeakPolarHBondContact CB-O 3.47Å; S564-A641 PolarHBondContact OG-O 2.89Å; L566-A641 HydrophobicContact CD1-CB 4.22Å; L638-A641 HydrophobicContact CB-CB 3.99Å; L638-A641 WeakPolarHBondContact O-CB 3.19Å; L638-A641 PolarHBondContact O-N 3.12Å; S639-A641 PolarHBondContact O-N 3.31Å
642	G	91.3	Very high	87.4	Confident	14 Å²	14	17.9 Å²	17.9	14%	0.144	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.3	-148.3	-179.2	0	0	0	0	0	111.4	L638	L638-G642 CarbonylContact C-O 3.56Å; L638-G642 PolarHBondContact N-O 3.09Å; L638-G642 PolarHBondContact O-N 3.02Å
643	W	94.6	Very high	86.2	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161	169.1	71.9	96.1	0	0	0	112.1	A200 L229 W240 L528 F563 D635 V636 V637 R706	A200-W643 HydrophobicContact CB-CZ3 4.05Å; L229-W643 HydrophobicContact CD2-CH2 4.37Å; W240-W643 AromaticContact CH2-CH2 3.8Å; W240-W643 HydrophobicContact CH2-CH2 3.8Å; W240-W643 AromaticContact CH2-CZ2 3.92Å; W240-W643 HydrophobicContact CH2-CZ2 3.92Å; W240-W643 HydrophobicContact CZ2-CH2 4.42Å; W240-W643 HydrophobicContact CZ2-CZ2 4.34Å; L528-W643 HydrophobicContact CD1-CH2 3.61Å; L528-W643 HydrophobicContact CD1-CZ3 3.61Å; F563-W643 HydrophobicContact CB-CD2 3.61Å; F563-W643 HydrophobicContact CB-CE3 3.95Å; F563-W643 HydrophobicContact CB-CG 4.18Å; F563-W643 HydrophobicContact CB-CH2 3.87Å; F563-W643 HydrophobicContact CB-CZ2 3.53Å; F563-W643 HydrophobicContact CB-CZ3 4.07Å; F563-W643 AromaticContact CD1-CE2 3.99Å; F563-W643 HydrophobicContact CD1-CH2 4.29Å; F563-W643 AromaticContact CD1-CZ2 3.59Å; F563-W643 HydrophobicContact CD1-CZ2 3.59Å; F563-W643 AromaticContact CD2-CD1 3.66Å; F563-W643 HydrophobicContact CD2-CD2 4.34Å; F563-W643 AromaticContact CD2-CE2 3.62Å; F563-W643 HydrophobicContact CD2-CG 4.35Å; F563-W643 HydrophobicContact CD2-CZ2 4.1Å; F563-W643 AromaticContact CD2-NE1 3.16Å; F563-W643 HydrophobicContact CE1-CZ2 4.28Å; F563-W643 AromaticContact CE2-NE1 3.67Å; F563-W643 HydrophobicContact CG-CD2 4.12Å; F563-W643 AromaticContact CG-CE2 3.39Å; F563-W643 HydrophobicContact CG-CH2 4.24Å; F563-W643 AromaticContact CG-CZ2 3.47Å; F563-W643 HydrophobicContact CG-CZ2 3.47Å; F563-W643 VanDerWaalsContact CG-CZ2 3.47Å; F563-W643 AromaticContact CG-NE1 3.48Å; F563-W643 PolarHBondContact N-O 3.3Å; F563-W643 PolarHBondContact O-N 3.33Å; D635-W643 VanDerWaalsContact CG-CD1 3.43Å; D635-W643 PolarHBondContact OD2-NE1 3.15Å; V636-W643 CarbonylContact O-C 3.57Å; V636-W643 VanDerWaalsContact O-CA 3.22Å; V636-W643 WeakPolarHBondContact O-CA 3.36Å; V636-W643 WeakPolarHBondContact O-CB 3.13Å; V637-W643 HydrophobicContact CB-CB 4.45Å; V637-W643 HydrophobicContact CG2-CB 4.12Å; W643-R706 VanDerWaalsContact CD2-NH2 3.33Å
644	V	95	Very high	84.9	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.2	177.5	-172.7	0	0	0	0	108.4	M543 L549 F560 T561 T562 V636	M543-V644 HydrophobicContact CE-CG2 4.28Å; M543-V644 HydrophobicContact SD-CG2 3.54Å; M543-V644 VanDerWaalsContact SD-CG2 3.54Å; L549-V644 HydrophobicContact CD2-CB 3.99Å; L549-V644 HydrophobicContact CD2-CG1 4.07Å; L549-V644 HydrophobicContact CD2-CG2 4.18Å; F560-V644 HydrophobicContact CB-CG1 3.62Å; F560-V644 HydrophobicContact CD1-CG1 4.24Å; F560-V644 HydrophobicContact CD2-CG1 4.08Å; F560-V644 HydrophobicContact CG-CG1 3.73Å; T561-V644 WeakPolarHBondContact O-CA 3.41Å; T562-V644 HydrophobicContact CG2-CG1 4.3Å; T562-V644 HydrophobicContact CG2-CG2 4.15Å; V636-V644 PolarHBondContact N-O 2.96Å; V636-V644 PolarHBondContact O-N 2.9Å
645	S	93.9	Very high	83.3	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.8	169.4	-52.4	0	0	0	0	109.5	T561 F563 I634 D635	T561-S645 PolarHBondContact N-O 3.4Å; T561-S645 PolarHBondContact O-N 3.44Å; F563-S645 WeakPolarHBondContact CE2-OG 3.14Å; I634-S645 WeakPolarHBondContact O-CA 3.25Å; D635-S645 WeakPolarHBondContact OD1-CB 3.35Å; D635-S645 PolarHBondContact OD1-OG 3.13Å
646	V	93.6	Very high	81.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.7	-175.7	179.5	0	0	0	0	110.2	V558 F560 S632 N633 I634 V636 I691 L693	V558-V646 HydrophobicContact CG1-CG1 3.66Å; F560-V646 HydrophobicContact CD1-CB 4.45Å; F560-V646 HydrophobicContact CD1-CG1 4.26Å; F560-V646 HydrophobicContact CD1-CG2 3.91Å; F560-V646 HydrophobicContact CE1-CB 4.38Å; F560-V646 HydrophobicContact CE1-CG1 3.92Å; F560-V646 HydrophobicContact CE1-CG2 3.73Å; S632-V646 WeakPolarHBondContact CB-O 3.33Å; N633-V646 PolarHBondContact N-O 3.41Å; I634-V646 HydrophobicContact CG2-CB 4.12Å; I634-V646 PolarHBondContact O-N 3.15Å; V636-V646 HydrophobicContact CG2-CG2 3.96Å; V646-I691 HydrophobicContact CG1-CD1 4.32Å; V646-L693 HydrophobicContact CG1-CD1 4.29Å; V646-L693 HydrophobicContact CG2-CD1 3.97Å
647	A	90.7	Very high	79.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.1	168	0	0	0	0	0	110.7	V558 Y559 V626 L629 N633 I714	V558-A647 WeakPolarHBondContact CG1-O 3.48Å; Y559-A647 PolarHBondContact N-O 3.3Å; Y559-A647 PolarHBondContact O-N 3.12Å; V626-A647 HydrophobicContact CG2-CB 4.46Å; L629-A647 HydrophobicContact CD2-CB 4.27Å; N633-A647 WeakPolarHBondContact OD1-CA 3.16Å; A647-I714 HydrophobicContact CB-CD1 3.53Å
648	G	85.2	Confident	78.3	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.6	173.8	0	0	0	0	0	112.2	T625 V626	T625-G648 WeakPolarHBondContact CB-O 3.47Å; T625-G648 WeakPolarHBondContact CG2-O 3.48Å; V626-G648 VanDerWaalsContact CG2-O 3.24Å; V626-G648 WeakPolarHBondContact CG2-O 3.44Å; V626-G648 PolarHBondContact N-O 2.76Å
649	L	78.8	Confident	76.5	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-93.2	146.6	179.8	-77.6	165.6	0	0	0	111.8	S556 P627 L629 N653 K654 L657	S556-L649 PolarHBondContact OG-O 3.29Å; P627-L649 WeakPolarHBondContact O-CD2 3.49Å; L629-L649 HydrophobicContact CD1-CD1 3.53Å; L629-L649 HydrophobicContact CD1-CG 4.01Å; L629-L649 HydrophobicContact CD2-CD1 4.33Å; L629-L649 HydrophobicContact CD2-CG 3.87Å; L629-L649 HydrophobicContact CG-CD1 3.69Å; L629-L649 HydrophobicContact CG-CD2 4.05Å; L629-L649 HydrophobicContact CG-CG 3.61Å; L649-N653 HydrophobicContact CD2-CB 4.16Å; L649-K654 HydrophobicContact CB-CB 4.37Å; L649-K654 HydrophobicContact CD1-CB 4.27Å; L649-K654 HydrophobicContact CD1-CG 4.41Å; L649-L657 HydrophobicContact CD1-CD1 4.12Å; L649-L657 HydrophobicContact CD2-CD1 4.16Å
650	S	74.3	Confident	74.8	Confident	34 Å²	34	47.6 Å²	47.6	24%	0.238	24%	0.241	C	C	.	.			trans	-57.6	147.9	156.8	170.4	0	0	0	0	111.2	T652 N653 K654	S650-T652 VanDerWaalsContact C-N 3.26Å; S650-T652 PolarHBondContact O-N 2.92Å; S650-T652 PolarHBondContact OG-N 2.81Å; S650-T652 PolarHBondContact OG-OG1 2.95Å; S650-N653 PolarHBondContact O-N 3.42Å; S650-K654 PolarHBondContact O-N 3.1Å
651	K	67.4	Low	73.3	Confident	128 Å²	128	50.2 Å²	50.2	56%	0.557	25%	0.252	S	S	*	.	H	α-helix	trans	-54.5	-39.7	173.7	-78.1	-176.3	177.3	180	0	112.5	P555	P555-K651 HydrophobicContact CB-CG 4.13Å; P555-K651 WeakPolarHBondContact O-CE 3.29Å; P555-K651 WeakPolarHBondContact O-CG 3.42Å
652	T	61	Low	71.3	Confident	89 Å²	89	53.5 Å²	53.5	55%	0.546	28%	0.275	S	S	.	.	H	α-helix	trans	-66.1	-48.4	-179.6	48.9	0	0	0	0	111.6	S650 K654 K655	S650-T652 VanDerWaalsContact C-N 3.26Å; S650-T652 PolarHBondContact O-N 2.92Å; S650-T652 PolarHBondContact OG-N 2.81Å; S650-T652 PolarHBondContact OG-OG1 2.95Å; T652-K654 VanDerWaalsContact C-N 3.29Å; T652-K654 PolarHBondContact O-N 3.41Å; T652-K655 PolarHBondContact O-N 2.84Å
653	N	59.3	Low	69	Low	47 Å²	47	59.4 Å²	59.4	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-71.1	-24.9	-178.6	-64.4	-8.2	0	0	0	112.5	P627 L649 S650 L657	P627-N653 WeakPolarHBondContact CA-ND2 3.38Å; P627-N653 PolarHBondContact O-ND2 2.91Å; L649-N653 HydrophobicContact CD2-CB 4.16Å; S650-N653 PolarHBondContact O-N 3.42Å; N653-L657 WeakPolarHBondContact O-CB 3.35Å; N653-L657 PolarHBondContact O-N 2.77Å; N653-L657 VanDerWaalsContact O-N 3.17Å
654	K	59.7	Low	66.3	Low	65 Å²	65	67.2 Å²	67.2	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-46.1	173.5	-171.1	176.2	-179.5	-80.6	0	111.9	L649 S650 T652 L656 L657 D658	L649-K654 HydrophobicContact CB-CB 4.37Å; L649-K654 HydrophobicContact CD1-CB 4.27Å; L649-K654 HydrophobicContact CD1-CG 4.41Å; S650-K654 PolarHBondContact O-N 3.1Å; T652-K654 VanDerWaalsContact C-N 3.29Å; T652-K654 PolarHBondContact O-N 3.41Å; K654-L656 PolarHBondContact O-N 2.93Å; K654-L657 PolarHBondContact O-N 3.12Å; K654-L657 VanDerWaalsContact O-N 3.08Å; K654-D658 WeakPolarHBondContact CE-OD2 3.49Å; K654-D658 WeakPolarHBondContact CG-OD2 3.43Å; K654-D658 IonicContact NZ-OD1 3.33Å; K654-D658 IonicContact NZ-OD2 3.44Å; K654-D658 PolarHBondContact NZ-OD2 2.96Å; K654-D658 PolarHBondContact O-N 2.94Å
655	K	59.2	Low	63.6	Low	149 Å²	149	73.5 Å²	73.5	65%	0.648	37%	0.367	S	S	*	.	H	α-helix	trans	-55.4	-51.7	177.7	-71.6	-166.7	172.2	-165.6	0	111.2	T652 L657 D658 E659	T652-K655 PolarHBondContact O-N 2.84Å; K655-L657 PolarHBondContact O-N 3.18Å; K655-L657 VanDerWaalsContact O-N 3.13Å; K655-D658 PolarHBondContact O-N 3.32Å; K655-E659 WeakPolarHBondContact O-CB 3.24Å; K655-E659 VanDerWaalsContact O-CG 3.29Å; K655-E659 WeakPolarHBondContact O-CG 3.49Å; K655-E659 PolarHBondContact O-N 3.08Å
656	L	59.8	Low	60.6	Low	94 Å²	94	77.9 Å²	77.9	49%	0.492	40%	0.398	S	S	.	.	H	α-helix	trans	-60.1	-22.6	177.1	-67.4	169.4	0	0	0	115	K654 K660	K654-L656 PolarHBondContact O-N 2.93Å; L656-K660 WeakPolarHBondContact O-CG 3.43Å
657	L	58.3	Low	57.7	Low	42 Å²	42	83.7 Å²	83.7	22%	0.22	43%	0.433	C	S	.	.	H	α-helix	trans	-91.9	-37	179.5	-130.9	150.5	0	0	0	111.3	L649 N653 K654 K655 N661	L649-L657 HydrophobicContact CD1-CD1 4.12Å; L649-L657 HydrophobicContact CD2-CD1 4.16Å; N653-L657 WeakPolarHBondContact O-CB 3.35Å; N653-L657 PolarHBondContact O-N 2.77Å; N653-L657 VanDerWaalsContact O-N 3.17Å; K654-L657 PolarHBondContact O-N 3.12Å; K654-L657 VanDerWaalsContact O-N 3.08Å; K655-L657 PolarHBondContact O-N 3.18Å; K655-L657 VanDerWaalsContact O-N 3.13Å; L657-N661 PolarHBondContact O-N 3.45Å; L657-N661 VanDerWaalsContact O-N 3.1Å; L657-N661 PolarHBondContact O-ND2 2.87Å
658	D	60.7	Low	54.7	Low	74 Å²	74	91.7 Å²	91.7	40%	0.396	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-44.2	172.7	-67.7	-20.6	0	0	0	110.2	K654 K655 K660 N661 S662	K654-D658 WeakPolarHBondContact CE-OD2 3.49Å; K654-D658 WeakPolarHBondContact CG-OD2 3.43Å; K654-D658 IonicContact NZ-OD1 3.33Å; K654-D658 IonicContact NZ-OD2 3.44Å; K654-D658 PolarHBondContact NZ-OD2 2.96Å; K654-D658 PolarHBondContact O-N 2.94Å; K655-D658 PolarHBondContact O-N 3.32Å; D658-K660 PolarHBondContact O-N 3.16Å; D658-N661 PolarHBondContact O-N 3Å; D658-S662 PolarHBondContact O-N 2.91Å; D658-S662 PolarHBondContact O-OG 2.8Å; D658-S662 VanDerWaalsContact O-OG 3.14Å
659	E	56.9	Low	52	Low	104 Å²	104	99.2 Å²	99.2	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-54.5	-48.2	173.9	-75.2	159.6	-161.1	0	0	112.3	K655 N661 S662 E663	K655-E659 WeakPolarHBondContact O-CB 3.24Å; K655-E659 VanDerWaalsContact O-CG 3.29Å; K655-E659 WeakPolarHBondContact O-CG 3.49Å; K655-E659 PolarHBondContact O-N 3.08Å; E659-N661 PolarHBondContact O-N 2.88Å; E659-S662 WeakPolarHBondContact CA-OG 3.37Å; E659-S662 PolarHBondContact O-N 3.03Å; E659-S662 PolarHBondContact O-OG 3.1Å; E659-E663 PolarHBondContact O-N 3.24Å; E659-E663 VanDerWaalsContact O-N 3.15Å
660	K	55.7	Low	49.5	Very low	136 Å²	136	104.3 Å²	104.3	59%	0.591	55%	0.547	S	S	*	.	H	α-helix	trans	-65.9	-36.9	177.7	-75.3	178.4	179.3	-177.2	0	113.7	L656 D658 S662 E663 E664	L656-K660 WeakPolarHBondContact O-CG 3.43Å; D658-K660 PolarHBondContact O-N 3.16Å; K660-S662 VanDerWaalsContact C-N 3.31Å; K660-E663 PolarHBondContact O-N 3.01Å; K660-E664 PolarHBondContact O-N 3.17Å
661	N	54.6	Low	47.5	Very low	66 Å²	66	108.9 Å²	108.9	35%	0.353	57%	0.573	S	S	.	*	H	α-helix	trans	-68.7	-32.4	176.7	-66	-39.7	0	0	0	111.3	L657 D658 E659 I665	L657-N661 PolarHBondContact O-N 3.45Å; L657-N661 VanDerWaalsContact O-N 3.1Å; L657-N661 PolarHBondContact O-ND2 2.87Å; D658-N661 PolarHBondContact O-N 3Å; E659-N661 PolarHBondContact O-N 2.88Å; N661-I665 WeakPolarHBondContact O-CD1 3.49Å; N661-I665 VanDerWaalsContact O-CG1 3.26Å; N661-I665 WeakPolarHBondContact O-CG1 3.27Å; N661-I665 PolarHBondContact O-N 3.26Å
662	S	48.1	Very low	45.7	Very low	72 Å²	72	108.2 Å²	108.2	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-68.5	-35.6	172.7	37.2	0	0	0	0	113.1	D658 E659 K660 I665 S666	D658-S662 PolarHBondContact O-N 2.91Å; D658-S662 PolarHBondContact O-OG 2.8Å; D658-S662 VanDerWaalsContact O-OG 3.14Å; E659-S662 WeakPolarHBondContact CA-OG 3.37Å; E659-S662 PolarHBondContact O-N 3.03Å; E659-S662 PolarHBondContact O-OG 3.1Å; K660-S662 VanDerWaalsContact C-N 3.31Å; S662-I665 PolarHBondContact O-N 3.2Å; S662-S666 PolarHBondContact O-N 3.27Å; S662-S666 VanDerWaalsContact O-N 3.16Å
663	E	41.7	Very low	44.3	Very low	139 Å²	139	111.1 Å²	111.1	65%	0.65	59%	0.592	S	S	*	*	H	α-helix	trans	-63.8	-45.5	174.1	-70.4	-177.9	156.9	0	0	111.7	E659 K660 I665 S666	E659-E663 PolarHBondContact O-N 3.24Å; E659-E663 VanDerWaalsContact O-N 3.15Å; K660-E663 PolarHBondContact O-N 3.01Å; E663-I665 PolarHBondContact O-N 2.8Å; E663-S666 WeakPolarHBondContact O-CB 3.34Å; E663-S666 PolarHBondContact O-N 3.12Å; E663-S666 VanDerWaalsContact O-N 3.14Å; E663-S666 PolarHBondContact O-OG 2.93Å
664	E	38.2	Very low	42.8	Very low	164 Å²	164	115.4 Å²	115.4	77%	0.766	61%	0.614	S	S	*	*	H	α-helix	trans	-66.7	-17.7	177.6	-72.2	-170.3	170.4	0	0	114.4	K660	K660-E664 PolarHBondContact O-N 3.17Å
665	I	38.3	Very low	41.5	Very low	132 Å²	132	120.3 Å²	120.3	68%	0.677	64%	0.644	S	S	*	*	H	α-helix	trans	-93.7	-14.8	176.5	-66.1	168	0	0	0	111.5	N661 S662 E663 T667	N661-I665 WeakPolarHBondContact O-CD1 3.49Å; N661-I665 VanDerWaalsContact O-CG1 3.26Å; N661-I665 WeakPolarHBondContact O-CG1 3.27Å; N661-I665 PolarHBondContact O-N 3.26Å; S662-I665 PolarHBondContact O-N 3.2Å; E663-I665 PolarHBondContact O-N 2.8Å; I665-T667 PolarHBondContact O-N 2.87Å
666	S	32.2	Very low	40	Very low	93 Å²	93	120.5 Å²	120.5	65%	0.65	65%	0.652	S	S	*	*			trans	-71.9	5.6	-172.2	70.3	0	0	0	0	116.4	S662 E663	S662-S666 PolarHBondContact O-N 3.27Å; S662-S666 VanDerWaalsContact O-N 3.16Å; E663-S666 WeakPolarHBondContact O-CB 3.34Å; E663-S666 PolarHBondContact O-N 3.12Å; E663-S666 VanDerWaalsContact O-N 3.14Å; E663-S666 PolarHBondContact O-OG 2.93Å
667	T	31.2	Very low	38.6	Very low	121 Å²	121	123.4 Å²	123.4	74%	0.742	67%	0.668	S	S	*	*	S	Bend	trans	-100	47.9	170.2	62.8	0	0	0	0	113.2	I665	I665-T667 PolarHBondContact O-N 2.87Å
668	E	27.3	Very low	37.1	Very low	169 Å²	169	129.6 Å²	129.6	79%	0.79	70%	0.701	S	S	*	*	S	Bend	trans	-168.9	120.9	149.2	-108.8	162.9	-145.8	0	0	111.5
669	N	28.9	Very low	35.9	Very low	159 Å²	159	130.7 Å²	130.7	85%	0.85	72%	0.715	S	S	*	*			trans	70.1	112.6	171.4	-57.6	-37.5	0	0	0	119.4
670	S	26.7	Very low	34.4	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	73%	0.728	S	S	*	*			trans	-76.5	126.7	162.9	53.6	0	0	0	0	112.6
671	V	33.2	Very low	33.3	Very low	129 Å²	129	132.7 Å²	132.7	78%	0.782	74%	0.735	S	S	*	*			trans	-140.8	133.5	139.3	179.4	0	0	0	0	107
672	V	28.8	Very low	31.9	Very low	114 Å²	114	136.7 Å²	136.7	69%	0.691	76%	0.757	S	S	*	*			trans	-96	123	170.6	173.9	0	0	0	0	107.1
673	D	31.7	Very low	31.3	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	77%	0.766	S	S	*	*			trans	-128	122.7	154.6	-82.7	-46.3	0	0	0	107.1
674	N	27.3	Very low	30.8	Very low	136 Å²	136	141 Å²	141	73%	0.727	78%	0.779	S	S	*	*			trans	-90.6	132.2	171.1	-57.5	-53.4	0	0	0	107.4
675	D	32.2	Very low	30.8	Very low	169 Å²	169	140.7 Å²	140.7	90%	0.904	78%	0.777	S	S	*	*			trans	-137.7	123.6	153.9	-90.8	-41.8	0	0	0	107.8
676	D	28.2	Very low	30.9	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	79%	0.786	S	S	*	*			trans	-75.4	143.1	179.3	-63.5	-66.4	0	0	0	111.2
677	D	30.3	Very low	31.8	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	79%	0.793	S	S	*	*			trans	-166.3	59.9	147	-113.2	-17.5	0	0	0	112.5	S679	D677-S679 PolarHBondContact O-N 3.38Å; D677-S679 VanDerWaalsContact O-N 3.12Å
678	D	27.9	Very low	32.9	Very low	173 Å²	173	142.6 Å²	142.6	93%	0.925	77%	0.771	S	S	*	*			trans	-79.9	84.5	168.8	-113.6	-16.2	0	0	0	110
679	S	33.6	Very low	35.1	Very low	97 Å²	97	137 Å²	137	68%	0.678	75%	0.754	S	S	*	*			trans	-96.5	110.8	172	50.5	0	0	0	0	111.5	D677 N681	D677-S679 PolarHBondContact O-N 3.38Å; D677-S679 VanDerWaalsContact O-N 3.12Å; S679-N681 PolarHBondContact O-N 2.92Å
680	N	27	Very low	37.8	Very low	142 Å²	142	132.2 Å²	132.2	76%	0.759	73%	0.728	S	S	*	*			trans	-57.1	125.5	174.7	-69.4	-74.9	0	0	0	111.7
681	N	31.3	Very low	40.9	Very low	139 Å²	139	126.8 Å²	126.8	74%	0.743	69%	0.69	S	S	*	*			trans	-133.3	105.7	151.7	-86.9	-36.6	0	0	0	109.3	S679 D683	S679-N681 PolarHBondContact O-N 2.92Å; N681-D683 PolarHBondContact O-N 3.22Å
682	N	26.9	Very low	43.8	Very low	151 Å²	151	123.4 Å²	123.4	81%	0.807	67%	0.667	S	S	*	*			trans	-82.6	87.9	168.1	-71.3	-41.7	0	0	0	108.2
683	D	35.5	Very low	47	Very low	129 Å²	129	118.1 Å²	118.1	69%	0.69	64%	0.635	S	S	*	*			trans	-108.9	116.2	168.9	-75	-45.2	0	0	0	109.7	N681 E685	N681-D683 PolarHBondContact O-N 3.22Å; D683-E685 PolarHBondContact O-N 2.87Å
684	D	31.2	Very low	50.1	Low	173 Å²	173	111.1 Å²	111.1	93%	0.925	60%	0.598	S	S	*	*			trans	-72.1	51.5	179.6	-73.5	-53.2	0	0	0	112.9	L686	D684-L686 PolarHBondContact O-N 3.32Å
685	E	37.8	Very low	53.4	Low	156 Å²	156	104.6 Å²	104.6	73%	0.729	56%	0.563	S	S	*	*			trans	-73.8	97	168.4	-82.3	-149.4	148	0	0	110.7	D683 F687	D683-E685 PolarHBondContact O-N 2.87Å; E685-F687 PolarHBondContact O-N 3.2Å
686	L	39.7	Very low	56.4	Low	167 Å²	167	99.2 Å²	99.2	87%	0.874	53%	0.53	S	S	*	.			trans	-16.2	101.5	164.7	-166.5	81.2	0	0	0	112.8	D684 C688	D684-L686 PolarHBondContact O-N 3.32Å; L686-C688 PolarHBondContact O-N 3.03Å
687	F	50.5	Low	59.5	Low	179 Å²	179	92 Å²	92	79%	0.785	49%	0.492	S	S	*	.			trans	-53.9	97.9	-168	-85	-94.9	0	0	0	112.5	E685 A689	E685-F687 PolarHBondContact O-N 3.2Å; F687-A689 PolarHBondContact O-N 3.43Å
688	C	55.3	Low	62.4	Low	41 Å²	41	84.7 Å²	84.7	28%	0.277	45%	0.453	S	S	.	.			trans	-75.2	90.1	179.4	-167.5	0	0	0	0	109.2	K553 P555 L686 D690	K553-C688 HydrophobicContact CD-CB 4.41Å; P555-C688 WeakPolarHBondContact CB-O 3.41Å; L686-C688 PolarHBondContact O-N 3.03Å; C688-D690 PolarHBondContact O-N 3.31Å
689	A	73.5	Confident	65.4	Low	52 Å²	52	77.2 Å²	77.2	43%	0.43	42%	0.416	S	S	.	.			trans	-72.1	-14.3	-179.4	0	0	0	0	0	113.5	T625 F687	T625-A689 VanDerWaalsContact CG2-O 3.26Å; T625-A689 WeakPolarHBondContact CG2-O 3.19Å; T625-A689 PolarHBondContact OG1-O 2.67Å; F687-A689 PolarHBondContact O-N 3.43Å
690	D	86.3	Confident	68.2	Low	58 Å²	58	74 Å²	74	31%	0.31	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	154.6	-170.6	-54	-33.4	0	0	0	113.1	P555 P622 I623 C688	P555-D690 WeakPolarHBondContact CD-O 3.4Å; P622-D690 HydrophobicContact CB-CB 3.91Å; I623-D690 WeakPolarHBondContact O-CA 3.47Å; C688-D690 PolarHBondContact O-N 3.31Å
691	I	90.5	Very high	71.2	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.7	173.4	-49.3	169.9	0	0	0	107.9	A554 V558 I623 T625 V646 L693	A554-I691 HydrophobicContact CB-CG1 4.49Å; A554-I691 HydrophobicContact CB-CG2 4.21Å; V558-I691 HydrophobicContact CG1-CD1 4.14Å; V558-I691 HydrophobicContact CG1-CG2 4.38Å; V558-I691 HydrophobicContact CG2-CD1 4.16Å; V558-I691 HydrophobicContact CG2-CG1 4.36Å; V558-I691 HydrophobicContact CG2-CG2 3.94Å; I623-I691 HydrophobicContact CB-CB 4.24Å; I623-I691 PolarHBondContact N-O 3.05Å; I623-I691 PolarHBondContact O-N 3.12Å; T625-I691 HydrophobicContact CG2-CD1 4.12Å; T625-I691 HydrophobicContact CG2-CG1 3.98Å; V646-I691 HydrophobicContact CG1-CD1 4.32Å; I691-L693 HydrophobicContact CG2-CD2 3.73Å; I691-L693 HydrophobicContact CG2-CG 4Å
692	L	94.4	Very high	74.1	Confident	58 Å²	58	62.7 Å²	62.7	30%	0.304	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.3	175.9	-61.7	-179.6	0	0	0	109.9	L552 K553 P622	L552-L692 HydrophobicContact CB-CB 4.3Å; L552-L692 WeakPolarHBondContact CB-O 3.36Å; L552-L692 PolarHBondContact N-O 2.88Å; K553-L692 HydrophobicContact CB-CB 4.17Å; K553-L692 HydrophobicContact CB-CD1 4.1Å; K553-L692 HydrophobicContact CB-CG 4.36Å; K553-L692 PolarHBondContact N-O 3.29Å; K553-L692 PolarHBondContact O-N 3.1Å; P622-L692 HydrophobicContact CB-CD2 3.97Å; P622-L692 HydrophobicContact CG-CD2 3.93Å
693	L	95.7	Very high	77.3	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.2	-177.1	-58.7	-174.7	0	0	0	111.5	L549 D550 V551 F560 L620 I623 V636 V646 I691	L549-L693 HydrophobicContact CD1-CB 4.21Å; L549-L693 HydrophobicContact CD1-CD1 4.26Å; L549-L693 HydrophobicContact CD2-CD1 4.44Å; D550-L693 VanDerWaalsContact O-CA 3.29Å; D550-L693 WeakPolarHBondContact O-CA 3.41Å; V551-L693 HydrophobicContact CB-CD2 4.19Å; V551-L693 HydrophobicContact CG1-CD2 4.22Å; V551-L693 HydrophobicContact CG2-CD2 3.9Å; F560-L693 HydrophobicContact CE1-CD1 4.16Å; F560-L693 HydrophobicContact CE1-CD2 4.3Å; F560-L693 HydrophobicContact CZ-CD1 4.07Å; F560-L693 HydrophobicContact CZ-CD2 3.86Å; L620-L693 HydrophobicContact CB-CB 4.48Å; L620-L693 HydrophobicContact CD1-CB 3.92Å; L620-L693 HydrophobicContact CD1-CD1 4.49Å; L620-L693 PolarHBondContact N-O 3.21Å; I623-L693 HydrophobicContact CD1-CD1 3.7Å; I623-L693 HydrophobicContact CD1-CG 4.17Å; V636-L693 HydrophobicContact CG2-CD1 4.47Å; V646-L693 HydrophobicContact CG1-CD1 4.29Å; V646-L693 HydrophobicContact CG2-CD1 3.97Å; I691-L693 HydrophobicContact CG2-CD2 3.73Å; I691-L693 HydrophobicContact CG2-CG 4Å
694	A	96.5	Very high	80.1	Confident	4 Å²	4	51 Å²	51	3%	0.033	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.1	165.1	0	0	0	0	0	110	D550 L552	D550-A694 HydrophobicContact CB-CB 4.25Å; D550-A694 PolarHBondContact N-O 3.41Å; D550-A694 PolarHBondContact O-N 2.85Å; D550-A694 VanDerWaalsContact O-N 3.08Å; L552-A694 HydrophobicContact CD1-CB 4.08Å; L552-A694 HydrophobicContact CD2-CB 4.36Å; L552-A694 HydrophobicContact CG-CB 4.31Å
695	A	96.6	Very high	83.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140	173.6	0	0	0	0	0	109.6	L549 S617 K618 L620 V636 L638 I703	L549-A695 HydrophobicContact CD1-CB 4.05Å; S617-A695 CarbonylContact C-O 3.58Å; S617-A695 WeakPolarHBondContact CA-O 3.24Å; K618-A695 PolarHBondContact N-O 2.95Å; K618-A695 PolarHBondContact O-N 3.35Å; L620-A695 HydrophobicContact CD1-CB 3.97Å; L620-A695 HydrophobicContact CD2-CB 4.09Å; L620-A695 HydrophobicContact CG-CB 4.09Å; V636-A695 HydrophobicContact CG1-CB 4.34Å; L638-A695 HydrophobicContact CD2-CB 3.89Å; A695-I703 HydrophobicContact CB-CD1 3.9Å; A695-I703 HydrophobicContact CB-CG1 4.33Å; A695-I703 HydrophobicContact CB-CG2 3.7Å
696	W	95.7	Very high	85.7	Confident	56 Å²	56	39.5 Å²	39.5	21%	0.212	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.8	-179.2	-67.8	77.6	0	0	0	110	R548 D550 M615 E616	R548-W696 HydrophobicContact CB-CB 3.72Å; R548-W696 HydrophobicContact CB-CG 4.27Å; R548-W696 HydrophobicContact CG-CB 3.82Å; R548-W696 HydrophobicContact CG-CG 3.8Å; R548-W696 PolarHBondContact N-O 2.97Å; R548-W696 PolarHBondContact O-N 3.17Å; D550-W696 PolarHBondContact OD2-NE1 3.02Å; M615-W696 HydrophobicContact CB-CE3 4.44Å; M615-W696 HydrophobicContact CE-CB 3.75Å; M615-W696 VanDerWaalsContact CE-O 3.27Å; M615-W696 WeakPolarHBondContact CE-O 3.37Å; E616-W696 WeakPolarHBondContact O-CA 3.36Å
697	T	94.3	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.6	171.9	52.6	0	0	0	0	109.6	I494 M615 E616 L638 G699 A700 L701 I703	I494-T697 HydrophobicContact CD1-CG2 3.81Å; M615-T697 VanDerWaalsContact CE-C 3.44Å; M615-T697 VanDerWaalsContact CE-N 3.29Å; E616-T697 PolarHBondContact N-O 2.92Å; E616-T697 PolarHBondContact O-N 3.12Å; L638-T697 HydrophobicContact CB-CG2 4.28Å; L638-T697 HydrophobicContact CD2-CG2 4.11Å; T697-G699 PolarHBondContact O-N 2.92Å; T697-A700 PolarHBondContact O-N 2.82Å; T697-A700 VanDerWaalsContact O-N 3.1Å; T697-A700 VanDerWaalsContact OG1-CA 3.24Å; T697-A700 WeakPolarHBondContact OG1-CA 3.34Å; T697-L701 VanDerWaalsContact CB-O 3.26Å; T697-L701 WeakPolarHBondContact CB-O 3.43Å; T697-L701 PolarHBondContact OG1-N 3.22Å; T697-L701 VanDerWaalsContact OG1-N 3.12Å; T697-L701 PolarHBondContact OG1-O 3.09Å; T697-I703 HydrophobicContact CG2-CD1 4.14Å; T697-I703 HydrophobicContact CG2-CG1 3.66Å; T697-I703 WeakPolarHBondContact OG1-CD1 3.36Å; T697-I703 WeakPolarHBondContact OG1-CG1 3.22Å
698	P	90.7	Very high	89.9	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.013	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	119.7	167.2	-28.6	37.9	0	0	0	111.2	I494 L546 L612 P613 P614 A700 L701	I494-P698 HydrophobicContact CG2-CG 4.04Å; L546-P698 WeakPolarHBondContact O-CD 3.36Å; L612-P698 HydrophobicContact CD1-CB 3.92Å; L612-P698 HydrophobicContact CD1-CG 4Å; L612-P698 HydrophobicContact CG-CB 4.2Å; L612-P698 HydrophobicContact CG-CG 4.37Å; P613-P698 HydrophobicContact CG-CB 3.88Å; P614-P698 CarbonylContact O-C 3.55Å; P614-P698 WeakPolarHBondContact O-CA 3.34Å; P698-A700 PolarHBondContact O-N 2.72Å; P698-L701 WeakPolarHBondContact O-CB 3.46Å; P698-L701 PolarHBondContact O-N 3.44Å
699	G	90.3	Very high	91.4	Very high	16 Å²	16	29.2 Å²	29.2	17%	0.165	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	21	-177.4	0	0	0	0	0	115.3	P614 T697 L701	P614-G699 PolarHBondContact O-N 3.18Å; T697-G699 PolarHBondContact O-N 2.92Å; G699-L701 WeakPolarHBondContact O-CG 3.32Å; G699-L701 PolarHBondContact O-N 2.78Å
700	A	91.8	Very high	92	Very high	28 Å²	28	26.7 Å²	26.7	23%	0.231	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	18	-169.6	0	0	0	0	0	114.2	E616 K618 T697 P698 I703	E616-A700 HydrophobicContact CB-CB 4.03Å; K618-A700 HydrophobicContact CB-CB 4.42Å; T697-A700 PolarHBondContact O-N 2.82Å; T697-A700 VanDerWaalsContact O-N 3.1Å; T697-A700 VanDerWaalsContact OG1-CA 3.24Å; T697-A700 WeakPolarHBondContact OG1-CA 3.34Å; P698-A700 PolarHBondContact O-N 2.72Å; A700-I703 HydrophobicContact CB-CD1 4.44Å
701	L	91.7	Very high	91.8	Very high	42 Å²	42	24.5 Å²	24.5	22%	0.22	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	151.4	-177.8	-60.6	176.8	0	0	0	111.1	I494 Y497 P613 T697 P698 G699 I703	I494-L701 WeakPolarHBondContact CD1-O 3.22Å; Y497-L701 HydrophobicContact CE2-CD1 3.83Å; Y497-L701 WeakPolarHBondContact OH-CD1 3.46Å; P613-L701 HydrophobicContact CG-CD1 4.31Å; T697-L701 VanDerWaalsContact CB-O 3.26Å; T697-L701 WeakPolarHBondContact CB-O 3.43Å; T697-L701 PolarHBondContact OG1-N 3.22Å; T697-L701 VanDerWaalsContact OG1-N 3.12Å; T697-L701 PolarHBondContact OG1-O 3.09Å; P698-L701 WeakPolarHBondContact O-CB 3.46Å; P698-L701 PolarHBondContact O-N 3.44Å; G699-L701 WeakPolarHBondContact O-CG 3.32Å; G699-L701 PolarHBondContact O-N 2.78Å; L701-I703 VanDerWaalsContact C-N 3.3Å; L701-I703 PolarHBondContact O-N 2.79Å
702	G	91.4	Very high	91.5	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	28	169.5	0	0	0	0	0	115.4	H204 D492 S639	H204-G702 PolarHBondContact CD2-O 3.2Å; H204-G702 VanDerWaalsContact CE1-C 3.44Å; H204-G702 VanDerWaalsContact NE2-C 3.28Å; H204-G702 PolarHBondContact NE2-O 2.82Å; H204-G702 VanDerWaalsContact NE2-O 3.16Å; D492-G702 WeakPolarHBondContact O-CA 3.14Å; S639-G702 WeakPolarHBondContact CB-O 3.46Å; S639-G702 PolarHBondContact N-O 3.49Å
703	I	95	Very high	90.7	Very high	12 Å²	12	26.5 Å²	26.5	6%	0.062	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.6	172.2	-61.3	170.8	0	0	0	109.1	K618 L620 V637 L638 A695 T697 A700 L701	K618-I703 HydrophobicContact CB-CD1 3.81Å; K618-I703 HydrophobicContact CD-CB 4.44Å; K618-I703 HydrophobicContact CD-CG2 4.35Å; L620-I703 HydrophobicContact CD2-CG2 3.91Å; V637-I703 WeakPolarHBondContact O-CA 3.46Å; L638-I703 HydrophobicContact CD2-CG1 4.13Å; A695-I703 HydrophobicContact CB-CD1 3.9Å; A695-I703 HydrophobicContact CB-CG1 4.33Å; A695-I703 HydrophobicContact CB-CG2 3.7Å; T697-I703 HydrophobicContact CG2-CD1 4.14Å; T697-I703 HydrophobicContact CG2-CG1 3.66Å; T697-I703 WeakPolarHBondContact OG1-CD1 3.36Å; T697-I703 WeakPolarHBondContact OG1-CG1 3.22Å; A700-I703 HydrophobicContact CB-CD1 4.44Å; L701-I703 VanDerWaalsContact C-N 3.3Å; L701-I703 PolarHBondContact O-N 2.79Å
704	S	94.3	Very high	89.9	Confident	21 Å²	21	26.5 Å²	26.5	15%	0.147	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	160.9	172	57.5	0	0	0	0	113.2	P203 H204 V637	P203-S704 WeakPolarHBondContact CD-OG 3.2Å; H204-S704 WeakPolarHBondContact NE2-CB 3.37Å; H204-S704 PolarHBondContact NE2-OG 2.88Å; V637-S704 PolarHBondContact N-O 3.11Å; V637-S704 PolarHBondContact O-N 3.05Å
705	L	93.3	Very high	89	Confident	54 Å²	54	30.8 Å²	30.8	28%	0.283	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.3	174.6	-63.3	178.8	0	0	0	109.5	L620 I634 D635 V636	L620-L705 HydrophobicContact CD1-CD2 4.08Å; L620-L705 HydrophobicContact CD2-CD1 4.41Å; L620-L705 HydrophobicContact CD2-CD2 4.06Å; L620-L705 HydrophobicContact CD2-CG 4.24Å; I634-L705 HydrophobicContact CD1-CB 3.9Å; I634-L705 HydrophobicContact CD1-CD1 3.99Å; I634-L705 HydrophobicContact CD1-CD2 4.08Å; I634-L705 HydrophobicContact CD1-CG 4.21Å; I634-L705 HydrophobicContact CG1-CB 4.34Å; I634-L705 HydrophobicContact CG1-CD2 4.4Å; D635-L705 WeakPolarHBondContact O-CA 3.28Å; V636-L705 HydrophobicContact CB-CD2 4.37Å; V636-L705 HydrophobicContact CG1-CD2 4.47Å; V636-L705 HydrophobicContact CG2-CD2 3.83Å
706	R	91.7	Very high	87.5	Confident	35 Å²	35	34.4 Å²	34.4	13%	0.132	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.1	173.9	68.5	-179.6	-171.3	-150.3	-2.2	111.9	L202 I634 D635 V637 W643 L709	L202-R706 PolarHBondContact O-NH1 2.82Å; I634-R706 WeakPolarHBondContact CG1-O 3.14Å; D635-R706 HydrophobicContact CB-CG 3.63Å; D635-R706 PolarHBondContact N-O 3.12Å; D635-R706 PolarHBondContact O-N 3.04Å; D635-R706 VanDerWaalsContact O-N 3.07Å; D635-R706 IonicContact OD2-CZ 2.7Å; D635-R706 IonicContact OD2-NE 3.9Å; D635-R706 PolarHBondContact OD2-NE 3.41Å; D635-R706 VanDerWaalsContact OD2-NE 3.16Å; D635-R706 IonicContact OD2-NH2 2.73Å; D635-R706 PolarHBondContact OD2-NH2 2.8Å; V637-R706 HydrophobicContact CG2-CG 4.12Å; W643-R706 VanDerWaalsContact CD2-NH2 3.33Å; R706-L709 VanDerWaalsContact CZ-CD1 3.43Å
707	K	90.3	Very high	86.2	Confident	136 Å²	136	36.3 Å²	36.3	59%	0.591	17%	0.173	S	C	*	.			trans	-59.2	140.5	169.9	-65.1	171	-171.3	157.9	0	110.4	E246 L709	E246-K707 IonicContact OE1-NZ 2.6Å; E246-K707 PolarHBondContact OE1-NZ 2.92Å; K707-L709 PolarHBondContact O-N 3.29Å
708	P	88.8	Confident	84.2	Confident	23 Å²	23	40.7 Å²	40.7	15%	0.149	22%	0.218	C	C	.	.			trans	-69.6	125.9	-174.8	23.7	-29.6	0	0	0	112.3	S632 N633 D635 I710 P711	S632-P708 WeakPolarHBondContact O-CG 3.32Å; S632-P708 WeakPolarHBondContact OG-CB 3.26Å; N633-P708 WeakPolarHBondContact O-CD 3.49Å; D635-P708 WeakPolarHBondContact OD1-CA 3.47Å; P708-I710 VanDerWaalsContact C-N 3.34Å; P708-P711 HydrophobicContact CB-CB 4.47Å; P708-P711 HydrophobicContact CG-CB 4.27Å
709	L	87.1	Confident	82.3	Confident	11 Å²	11	47.5 Å²	47.5	6%	0.058	25%	0.249	C	C	.	.	S	Bend	trans	-80.4	-20.1	-174.3	-55.5	-173.1	0	0	0	113	R239 W240 A243 D635 R706 K707	R239-L709 PolarHBondContact NE-O 2.92Å; R239-L709 PolarHBondContact NH2-O 2.99Å; W240-L709 HydrophobicContact CD2-CD1 4.17Å; W240-L709 HydrophobicContact CE3-CD1 3.56Å; W240-L709 HydrophobicContact CH2-CB 4.16Å; W240-L709 HydrophobicContact CH2-CD1 3.48Å; W240-L709 VanDerWaalsContact CH2-CD1 3.48Å; W240-L709 HydrophobicContact CH2-CG 4.46Å; W240-L709 HydrophobicContact CZ2-CB 3.97Å; W240-L709 HydrophobicContact CZ2-CD1 4.08Å; W240-L709 HydrophobicContact CZ3-CD1 3.2Å; W240-L709 HydrophobicContact CZ3-CG 4.49Å; A243-L709 HydrophobicContact CB-CD1 4.01Å; A243-L709 HydrophobicContact CB-CD2 3.52Å; A243-L709 HydrophobicContact CB-CG 4.46Å; D635-L709 PolarHBondContact OD2-N 3.27Å; R706-L709 VanDerWaalsContact CZ-CD1 3.43Å; K707-L709 PolarHBondContact O-N 3.29Å
710	I	86	Confident	80	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-133.8	67.4	178.3	-52.4	-175.6	0	0	0	108.1	P230 D232 W240 F563 P708 Y712 A713	P230-I710 HydrophobicContact CB-CD1 4.43Å; P230-I710 HydrophobicContact CG-CD1 3.54Å; P230-I710 WeakPolarHBondContact O-CD1 3.36Å; D232-I710 HydrophobicContact CB-CG2 3.86Å; W240-I710 HydrophobicContact CZ2-CD1 4.34Å; W240-I710 HydrophobicContact CZ2-CG1 4.48Å; F563-I710 HydrophobicContact CE1-CB 4.35Å; F563-I710 HydrophobicContact CE1-CD1 3.77Å; F563-I710 HydrophobicContact CZ-CB 4.02Å; F563-I710 HydrophobicContact CZ-CD1 4.31Å; F563-I710 HydrophobicContact CZ-CG2 4.35Å; P708-I710 VanDerWaalsContact C-N 3.34Å; I710-Y712 VanDerWaalsContact C-N 3.27Å; I710-Y712 PolarHBondContact O-N 2.88Å; I710-A713 HydrophobicContact CB-CB 4.48Å; I710-A713 HydrophobicContact CG2-CB 3.82Å; I710-A713 WeakPolarHBondContact O-CB 3.22Å; I710-A713 PolarHBondContact O-N 2.99Å; I710-A713 VanDerWaalsContact O-N 3.17Å
711	P	81.6	Confident	77.8	Confident	11 Å²	11	55.6 Å²	55.6	7%	0.071	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.4	-36.5	-169.3	22.8	-31.8	0	0	0	112.2	Q631 S632 P708 A713	Q631-P711 CarbonylContact C-O 3.54Å; Q631-P711 WeakPolarHBondContact CA-O 3.46Å; Q631-P711 HydrophobicContact CB-CB 4.17Å; Q631-P711 HydrophobicContact CG-CB 4.32Å; S632-P711 PolarHBondContact N-O 3.31Å; P708-P711 HydrophobicContact CB-CB 4.47Å; P708-P711 HydrophobicContact CG-CB 4.27Å; P711-A713 VanDerWaalsContact C-N 3.27Å; P711-A713 PolarHBondContact O-N 3.43Å
712	Y	84	Confident	75.2	Confident	98 Å²	98	63.2 Å²	63.2	38%	0.384	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-80.5	3.7	-177.4	-55.4	-71.1	0	0	0	114.7	D630 Q631 I710 I714 K715	D630-Y712 WeakPolarHBondContact O-CD1 3.27Å; Q631-Y712 HydrophobicContact CG-CD1 3.79Å; Q631-Y712 HydrophobicContact CG-CE1 3.43Å; Q631-Y712 VanDerWaalsContact CG-CE1 3.43Å; Q631-Y712 PolarHBondContact NE2-OH 2.64Å; I710-Y712 VanDerWaalsContact C-N 3.27Å; I710-Y712 PolarHBondContact O-N 2.88Å; Y712-I714 PolarHBondContact O-N 2.99Å; Y712-K715 HydrophobicContact CD1-CD 4.36Å; Y712-K715 WeakPolarHBondContact O-CB 3.26Å; Y712-K715 PolarHBondContact O-N 3.41Å
713	A	78.7	Confident	72.8	Confident	2 Å²	2	71.1 Å²	71.1	2%	0.017	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58.1	-34.2	179.9	0	0	0	0	0	112.5	P530 T561 F563 I710 P711 K715 R716	P530-A713 HydrophobicContact CB-CB 4.35Å; T561-A713 HydrophobicContact CG2-CB 3.88Å; F563-A713 HydrophobicContact CZ-CB 3.8Å; I710-A713 HydrophobicContact CB-CB 4.48Å; I710-A713 HydrophobicContact CG2-CB 3.82Å; I710-A713 WeakPolarHBondContact O-CB 3.22Å; I710-A713 PolarHBondContact O-N 2.99Å; I710-A713 VanDerWaalsContact O-N 3.17Å; P711-A713 VanDerWaalsContact C-N 3.27Å; P711-A713 PolarHBondContact O-N 3.43Å; A713-K715 PolarHBondContact O-N 3.12Å; A713-R716 PolarHBondContact O-N 2.95Å; A713-R716 VanDerWaalsContact O-N 3.1Å
714	I	79.3	Confident	70.1	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-59.1	-29.4	177.1	-172.3	164	0	0	0	113.5	Y559 L629 A647 Y712 R716 R717	Y559-I714 HydrophobicContact CD1-CD1 4.49Å; Y559-I714 HydrophobicContact CD2-CD1 4.44Å; Y559-I714 HydrophobicContact CG-CD1 3.94Å; L629-I714 HydrophobicContact CB-CD1 4.3Å; L629-I714 HydrophobicContact CD2-CD1 4.07Å; L629-I714 WeakPolarHBondContact O-CG2 3.39Å; A647-I714 HydrophobicContact CB-CD1 3.53Å; Y712-I714 PolarHBondContact O-N 2.99Å; I714-R716 PolarHBondContact O-N 2.91Å; I714-R716 VanDerWaalsContact O-N 3.09Å; I714-R717 WeakPolarHBondContact O-CB 3.39Å; I714-R717 WeakPolarHBondContact O-CG 2.96Å; I714-R717 PolarHBondContact O-N 3.33Å
715	K	75.6	Confident	67.1	Low	94 Å²	94	81.1 Å²	81.1	41%	0.409	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-63.3	-15.6	177.3	-64.9	-161.7	169.8	-154.8	0	113.5	D630 Y712 A713	D630-K715 WeakPolarHBondContact O-CE 3.26Å; D630-K715 WeakPolarHBondContact O-CG 3.46Å; D630-K715 WeakPolarHBondContact OD1-CE 3.48Å; D630-K715 IonicContact OD1-NZ 2.74Å; D630-K715 PolarHBondContact OD1-NZ 2.66Å; D630-K715 VanDerWaalsContact OD2-CE 3.27Å; D630-K715 WeakPolarHBondContact OD2-CE 3.23Å; D630-K715 IonicContact OD2-NZ 3.57Å; D630-K715 PolarHBondContact OD2-NZ 3.5Å; Y712-K715 HydrophobicContact CD1-CD 4.36Å; Y712-K715 WeakPolarHBondContact O-CB 3.26Å; Y712-K715 PolarHBondContact O-N 3.41Å; A713-K715 PolarHBondContact O-N 3.12Å
716	R	66.8	Low	64.2	Low	76 Å²	76	83.4 Å²	83.4	29%	0.287	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-95.7	14.3	176.7	-51.6	-150.2	-159.2	-165.8	6.9	113.9	A713 I714 G718 H719	A713-R716 PolarHBondContact O-N 2.95Å; A713-R716 VanDerWaalsContact O-N 3.1Å; I714-R716 PolarHBondContact O-N 2.91Å; I714-R716 VanDerWaalsContact O-N 3.09Å; R716-G718 PolarHBondContact O-N 3.06Å; R716-H719 PolarHBondContact O-N 3.28Å; R716-H719 VanDerWaalsContact O-N 3.13Å
717	R	67.2	Low	61.2	Low	97 Å²	97	90.8 Å²	90.8	37%	0.366	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	127.7	166.9	64.7	-171.8	-170.3	-130.6	4.7	110.1	L629 I714 H719	L629-R717 VanDerWaalsContact CB-NH1 3.3Å; L629-R717 PolarHBondContact O-NH1 3.36Å; I714-R717 WeakPolarHBondContact O-CB 3.39Å; I714-R717 WeakPolarHBondContact O-CG 2.96Å; I714-R717 PolarHBondContact O-N 3.33Å; R717-H719 PolarHBondContact O-N 2.82Å
718	G	52	Low	58.2	Low	92 Å²	92	89.4 Å²	89.4	95%	0.948	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-26.5	-178	0	0	0	0	0	117	R716 R720	R716-G718 PolarHBondContact O-N 3.06Å; G718-R720 PolarHBondContact O-N 3.37Å
719	H	51.6	Low	55.2	Low	144 Å²	144	91.9 Å²	91.9	67%	0.667	45%	0.446	S	S	*	.			trans	-86.3	111.4	-175.8	-74.1	-59	0	0	0	113.5	R716 R717 L721	R716-H719 PolarHBondContact O-N 3.28Å; R716-H719 VanDerWaalsContact O-N 3.13Å; R717-H719 PolarHBondContact O-N 2.82Å; H719-L721 PolarHBondContact O-N 3.42Å
720	R	42.4	Very low	52.2	Low	186 Å²	186	98.6 Å²	98.6	70%	0.702	48%	0.481	S	S	*	.			trans	-50.4	134.2	163.8	-101.1	-176.2	173.5	154	-3.7	110	G718 K722 E726	G718-R720 PolarHBondContact O-N 3.37Å; R720-K722 PolarHBondContact O-N 2.87Å; R720-E726 IonicContact CZ-OE2 3.21Å; R720-E726 IonicContact NE-OE2 2.72Å; R720-E726 IonicContact NH2-OE2 2.67Å; R720-E726 PolarHBondContact NH2-OE2 3.31Å
721	L	46	Very low	49.7	Very low	29 Å²	29	108.1 Å²	108.1	15%	0.152	54%	0.542	C	S	.	.			trans	-65.6	122.8	177.5	-52.2	-174.2	0	0	0	108.7	F377 I529 H719 W723 L724	F377-L721 HydrophobicContact CD2-CD1 3.64Å; F377-L721 HydrophobicContact CD2-CD2 3.68Å; F377-L721 HydrophobicContact CD2-CG 4.19Å; F377-L721 HydrophobicContact CE2-CD1 3.97Å; F377-L721 HydrophobicContact CE2-CD2 3.53Å; F377-L721 HydrophobicContact CE2-CG 4.38Å; I529-L721 HydrophobicContact CG2-CD1 4.21Å; H719-L721 PolarHBondContact O-N 3.42Å; L721-W723 PolarHBondContact O-N 3.34Å; L721-L724 HydrophobicContact CB-CB 4.5Å; L721-L724 HydrophobicContact CB-CD1 4.02Å; L721-L724 HydrophobicContact CD1-CD1 3.85Å; L721-L724 HydrophobicContact CG-CD1 4.28Å; L721-L724 PolarHBondContact O-N 3.38Å
722	K	37.1	Very low	48.1	Very low	201 Å²	201	113 Å²	113	87%	0.874	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-16.5	-172.6	-75	-172.9	174.8	-178.1	0	116	R720	R720-K722 PolarHBondContact O-N 2.87Å
723	W	39.7	Very low	46.2	Very low	170 Å²	170	113.7 Å²	113.7	64%	0.644	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-4.5	178.9	-56.4	102.1	0	0	0	114.3	L721 R725	L721-W723 PolarHBondContact O-N 3.34Å; W723-R725 PolarHBondContact O-N 2.71Å
724	L	38.9	Very low	44.4	Very low	25 Å²	25	119.9 Å²	119.9	13%	0.131	61%	0.607	C	S	.	*			trans	-96.8	71.6	169.1	-90.6	136.9	0	0	0	109.2	I516 I529 L721 E726	I516-L724 HydrophobicContact CG2-CD2 4.34Å; I529-L724 HydrophobicContact CD1-CD1 4.02Å; I529-L724 HydrophobicContact CD1-CD2 4.5Å; L721-L724 HydrophobicContact CB-CB 4.5Å; L721-L724 HydrophobicContact CB-CD1 4.02Å; L721-L724 HydrophobicContact CD1-CD1 3.85Å; L721-L724 HydrophobicContact CG-CD1 4.28Å; L721-L724 PolarHBondContact O-N 3.38Å; L724-E726 PolarHBondContact O-N 3.01Å
725	R	30.4	Very low	42.3	Very low	217 Å²	217	126.9 Å²	126.9	82%	0.819	64%	0.642	S	S	*	*			trans	-74.6	96.7	157	-92.3	-169.1	174.4	-172.6	-1.6	107.6	F517 W723 F727	F517-R725 WeakPolarHBondContact CZ-O 3.35Å; W723-R725 PolarHBondContact O-N 2.71Å; R725-F727 PolarHBondContact O-N 3.08Å
726	E	33.9	Very low	40.3	Very low	102 Å²	102	128.9 Å²	128.9	48%	0.477	66%	0.656	S	S	.	*			trans	-62.4	118.7	158.9	-71.4	168.9	166.3	0	0	107.5	R720 L724 S728	R720-E726 IonicContact CZ-OE2 3.21Å; R720-E726 IonicContact NE-OE2 2.72Å; R720-E726 IonicContact NH2-OE2 2.67Å; R720-E726 PolarHBondContact NH2-OE2 3.31Å; L724-E726 PolarHBondContact O-N 3.01Å; E726-S728 VanDerWaalsContact C-N 3.27Å; E726-S728 PolarHBondContact O-N 2.7Å
727	F	27.8	Very low	38.5	Very low	190 Å²	190	132.5 Å²	132.5	83%	0.833	68%	0.681	S	S	*	*			trans	-67.5	92.9	162.5	-98.5	-93.5	0	0	0	107.1	R725 G729	R725-F727 PolarHBondContact O-N 3.08Å; F727-G729 PolarHBondContact O-N 3.19Å; F727-G729 VanDerWaalsContact O-N 3.17Å
728	S	27.3	Very low	36.4	Very low	107 Å²	107	135 Å²	135	75%	0.748	70%	0.703	S	S	*	*			trans	-64.9	108	160.5	50.4	0	0	0	0	107.3	E726 I730	E726-S728 VanDerWaalsContact C-N 3.27Å; E726-S728 PolarHBondContact O-N 2.7Å; S728-I730 PolarHBondContact O-N 2.66Å
729	G	25.6	Very low	35.2	Very low	75 Å²	75	138.3 Å²	138.3	77%	0.773	68%	0.684	S	S	*	*	S	Bend	trans	-67.2	102.9	-173	0	0	0	0	0	113.3	F727	F727-G729 PolarHBondContact O-N 3.19Å; F727-G729 VanDerWaalsContact O-N 3.17Å
730	I	23.6	Very low	33.9	Very low	152 Å²	152	137.8 Å²	137.8	78%	0.779	69%	0.686	S	S	*	*			trans	-134	136.5	141.3	-59.9	-174.9	0	0	0	103.9	S728	S728-I730 PolarHBondContact O-N 2.66Å
731	P	33.9	Very low	33.1	Very low	200 Å²	200	133.5 Å²	133.5	100%	1.299	68%	0.684	S	S	*	*			trans	-59.2	0	-171	23.1	-36	0	0	0	115.1

Retrieved 731 of 731 residues in 570.5 ms (Link to these results)

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