A0A087X3H3_POEFO Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A087X3H3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	32.1	Very low	242 Å²	242	143.7 Å²	143.7	100%	1.192	74%	0.735	S	S	*	*				0	105.2	0	-69.7	173.6	99.1	0	0	105.4	N3	M1-N3 PolarHBondContact O-N 3.05Å
2	S	30.5	Very low	32.5	Very low	99 Å²	99	140.2 Å²	140.2	69%	0.692	73%	0.725	S	S	*	*			trans	-65	120.7	-179.9	40.2	0	0	0	0	109.4
3	N	27.6	Very low	32.3	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	71%	0.711	S	S	*	*			trans	-92.7	91.6	156.2	-89.2	4	0	0	0	106.1	M1 D5	M1-N3 PolarHBondContact O-N 3.05Å; N3-D5 VanDerWaalsContact C-N 3.3Å; N3-D5 PolarHBondContact O-N 2.93Å; N3-D5 VanDerWaalsContact O-N 3.14Å
4	E	29.6	Very low	32.1	Very low	164 Å²	164	135.1 Å²	135.1	77%	0.766	72%	0.719	S	S	*	*			trans	-69.6	93.3	160.4	-70.9	176	161.3	0	0	106.9	E6	E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 2.84Å; E4-E6 VanDerWaalsContact O-N 3.14Å
5	D	31.1	Very low	31.8	Very low	117 Å²	117	137.1 Å²	137.1	63%	0.626	73%	0.73	S	S	*	*			trans	-73.1	96.1	161	-75.2	-32.5	0	0	0	106.5	N3 F7	N3-D5 VanDerWaalsContact C-N 3.3Å; N3-D5 PolarHBondContact O-N 2.93Å; N3-D5 VanDerWaalsContact O-N 3.14Å; D5-F7 HydrophobicContact CB-CE2 4.34Å; D5-F7 HydrophobicContact CB-CZ 4.39Å; D5-F7 WeakPolarHBondContact O-CD2 3.34Å; D5-F7 WeakPolarHBondContact O-CE2 3.24Å; D5-F7 PolarHBondContact O-N 3.3Å
6	E	30.5	Very low	31.9	Very low	148 Å²	148	135.3 Å²	135.3	69%	0.692	73%	0.732	S	S	*	*			trans	-59.2	108.6	170.9	-80.5	-178.5	143.2	0	0	109.5	E4 Y8	E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 2.84Å; E4-E6 VanDerWaalsContact O-N 3.14Å; E6-Y8 HydrophobicContact CB-CE2 4.12Å; E6-Y8 PolarHBondContact O-N 3.12Å
7	F	36.5	Very low	31.7	Very low	183 Å²	183	136.5 Å²	136.5	80%	0.803	74%	0.737	S	S	*	*			trans	-80	105	-177.2	-70.6	-87.2	0	0	0	110.5	D5	D5-F7 HydrophobicContact CB-CE2 4.34Å; D5-F7 HydrophobicContact CB-CZ 4.39Å; D5-F7 WeakPolarHBondContact O-CD2 3.34Å; D5-F7 WeakPolarHBondContact O-CE2 3.24Å; D5-F7 PolarHBondContact O-N 3.3Å
8	Y	31.5	Very low	31.6	Very low	183 Å²	183	139.8 Å²	139.8	72%	0.718	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-86.3	125.3	170.8	-73	-84.1	0	0	0	111.7	E6	E6-Y8 HydrophobicContact CB-CE2 4.12Å; E6-Y8 PolarHBondContact O-N 3.12Å
9	D	37.6	Very low	31.4	Very low	117 Å²	117	138.3 Å²	138.3	63%	0.626	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-70.9	170.1	178	-85	-27.7	0	0	0	113.3	V11	D9-V11 PolarHBondContact O-N 3.39Å
10	A	38.4	Very low	31.3	Very low	40 Å²	40	138 Å²	138	33%	0.331	76%	0.756	S	S	.	*	P	Polyproline II helix	trans	-66.2	123.8	163.2	0	0	0	0	0	111.3	T12 K84	A10-T12 PolarHBondContact O-N 2.8Å; A10-K84 WeakPolarHBondContact CB-O 3.42Å
11	V	29.1	Very low	31	Very low	138 Å²	138	140.1 Å²	140.1	84%	0.836	76%	0.761	S	S	*	*			trans	-78.1	106.1	179.4	-177.2	0	0	0	0	109.3	D9 G13	D9-V11 PolarHBondContact O-N 3.39Å; V11-G13 PolarHBondContact O-N 2.85Å
12	T	36.1	Very low	30.7	Very low	101 Å²	101	131.8 Å²	131.8	62%	0.62	74%	0.737	S	S	*	*			trans	-92.6	82.2	160.6	53.2	0	0	0	0	108.1	A10	A10-T12 PolarHBondContact O-N 2.8Å
13	G	30	Very low	30.5	Very low	52 Å²	52	135.2 Å²	135.2	54%	0.536	75%	0.747	S	S	.	*			trans	-112.1	94.4	169.6	0	0	0	0	0	109.2	V11	V11-G13 PolarHBondContact O-N 2.85Å
14	L	30.2	Very low	30.5	Very low	157 Å²	157	133.1 Å²	133.1	82%	0.822	74%	0.744	S	S	*	*			trans	-124.9	87.5	157.5	-73.9	176.1	0	0	0	106	S16	L14-S16 PolarHBondContact O-N 3.26Å
15	D	27.5	Very low	30.3	Very low	165 Å²	165	134.6 Å²	134.6	88%	0.882	75%	0.751	S	S	*	*			trans	-65.2	119.9	155.9	-73.2	-39.4	0	0	0	106.8	D17	D15-D17 PolarHBondContact O-N 2.88Å
16	S	32.6	Very low	30	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	76%	0.758	S	S	*	*			trans	-79.6	109.1	174.8	52	0	0	0	0	109.4	L14	L14-S16 PolarHBondContact O-N 3.26Å
17	D	29	Very low	29.8	Very low	155 Å²	155	131 Å²	131	83%	0.829	76%	0.757	S	S	*	*			trans	-146.3	100.3	158.9	-89.3	-29.9	0	0	0	108	D15	D15-D17 PolarHBondContact O-N 2.88Å
18	E	29.7	Very low	29.3	Very low	196 Å²	196	132.1 Å²	132.1	92%	0.916	76%	0.762	S	S	*	*				-178	130	121.6	-97.7	-167.7	169.7	0	0	111.1
19	S	28.4	Very low	29.1	Very low	112 Å²	112	132 Å²	132	78%	0.783	77%	0.765	S	S	*	*			trans	-60	142.1	175.8	50.2	0	0	0	0	113.8
20	C	28.1	Very low	28.5	Very low	132 Å²	132	133.4 Å²	133.4	89%	0.892	77%	0.772	S	S	*	*			trans	-138.9	112.4	146.3	-167	0	0	0	0	109.4
21	E	26.4	Very low	28	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	80%	0.795	S	S	*	*			trans	-70.6	145.5	174.3	-65.2	-176.3	146.4	0	0	111.7
22	G	24.3	Very low	27.9	Very low	67 Å²	67	142 Å²	142	69%	0.691	80%	0.796	S	S	*	*			trans	84	116	143.2	0	0	0	0	0	117.6
23	L	26.6	Very low	27.3	Very low	170 Å²	170	140.7 Å²	140.7	89%	0.89	80%	0.802	S	S	*	*				-173.7	105.7	112.2	-92.4	163.8	0	0	0	111.2
24	S	26.6	Very low	27.2	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	82%	0.821	S	S	*	*			trans	40.6	125.4	141.7	60.5	0	0	0	0	122.4
25	E	26.3	Very low	27.1	Very low	196 Å²	196	148.9 Å²	148.9	92%	0.916	83%	0.825	S	S	*	*			trans	-44.9	140.8	156.5	-62.8	173.4	129.1	0	0	114.6
26	A	25.4	Very low	27.1	Very low	93 Å²	93	144 Å²	144	77%	0.769	81%	0.814	S	S	*	*			trans	-146.5	110.2	145.4	0	0	0	0	0	110.5
27	S	25.6	Very low	26.9	Very low	97 Å²	97	144 Å²	144	68%	0.678	81%	0.813	S	S	*	*			trans	-57.2	134.2	171.4	148.5	0	0	0	0	112.7
28	F	26.7	Very low	27	Very low	205 Å²	205	144.5 Å²	144.5	90%	0.899	82%	0.815	S	S	*	*			trans	-135.5	101	147.7	-85.9	-81.4	0	0	0	110.5
29	K	26	Very low	26.9	Very low	182 Å²	182	142.8 Å²	142.8	79%	0.791	81%	0.806	S	S	*	*			trans	-71.4	129	154	-76.3	175.3	173.7	174.7	0	107.8
30	D	26.1	Very low	27.1	Very low	145 Å²	145	147 Å²	147	78%	0.775	81%	0.81	S	S	*	*			trans	-152.1	111.8	136.3	-129.8	-5.9	0	0	0	111
31	T	27.3	Very low	27.2	Very low	131 Å²	131	149.3 Å²	149.3	80%	0.804	81%	0.806	S	S	*	*			trans	-97.7	122.7	172.3	12.6	0	0	0	0	107.7
32	R	26.8	Very low	27.5	Very low	228 Å²	228	147.9 Å²	147.9	86%	0.86	80%	0.804	S	S	*	*			trans	-131.4	119.8	153.5	-70.2	-170.4	-163.1	-179.5	6.7	108.9
33	G	24.8	Very low	28.4	Very low	73 Å²	73	148.3 Å²	148.3	75%	0.753	81%	0.808	S	S	*	*			trans	-70.7	155.4	-171.1	0	0	0	0	0	114
34	F	26.3	Very low	29.1	Very low	214 Å²	214	145.1 Å²	145.1	94%	0.939	80%	0.8	S	S	*	*			trans	-127.8	110.3	151	-108.8	-92.1	0	0	0	107
35	D	29.2	Very low	30.1	Very low	168 Å²	168	143.8 Å²	143.8	90%	0.898	79%	0.787	S	S	*	*			trans	-75.2	130.8	170.5	-160	1.5	0	0	0	108
36	G	27.9	Very low	30.7	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	78%	0.778	S	S	*	*			trans	-169.9	74.2	-168.6	0	0	0	0	0	112
37	S	27.4	Very low	31.7	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	77%	0.772	S	S	*	*			trans	2.9	111.6	161	59.3	0	0	0	0	117.5	Q39	S37-Q39 PolarHBondContact O-N 2.96Å; S37-Q39 VanDerWaalsContact O-N 3.09Å
38	I	30.6	Very low	32.5	Very low	167 Å²	167	144.9 Å²	144.9	86%	0.856	78%	0.776	S	S	*	*			trans	-66.8	102.4	167.7	-61.8	171.2	0	0	0	109
39	Q	28.7	Very low	33.5	Very low	160 Å²	160	142.9 Å²	142.9	75%	0.748	77%	0.774	S	S	*	*			trans	-88.6	113.9	156.3	-83.7	-174.7	-4.7	0	0	108.7	S37 K41	S37-Q39 PolarHBondContact O-N 2.96Å; S37-Q39 VanDerWaalsContact O-N 3.09Å; Q39-K41 PolarHBondContact O-N 3.36Å
40	K	32.9	Very low	34.8	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.865	76%	0.761	S	S	*	*			trans	-59	98.1	165	-75.8	178.9	174.7	178.4	0	108.9
41	K	29.1	Very low	36.3	Very low	182 Å²	182	135 Å²	135	79%	0.791	75%	0.751	S	S	*	*			trans	-87.7	113.7	163.6	-78.1	-172.9	176.6	179.7	0	108.1	Q39 G43	Q39-K41 PolarHBondContact O-N 3.36Å; K41-G43 PolarHBondContact O-N 2.92Å
42	N	32.7	Very low	38.3	Very low	153 Å²	153	134.9 Å²	134.9	82%	0.818	74%	0.736	S	S	*	*			trans	-54.1	133.4	167	-76.9	-17.1	0	0	0	109.3	S44	N42-S44 PolarHBondContact O-N 2.88Å
43	G	42.9	Very low	40.9	Very low	76 Å²	76	131.6 Å²	131.6	78%	0.784	73%	0.728	S	S	*	*			trans	-69	93.2	-170.9	0	0	0	0	0	113.8	K41	K41-G43 PolarHBondContact O-N 2.92Å
44	S	40.8	Very low	44	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	70%	0.703	S	S	*	*			trans	-117.6	113.6	158.5	58.8	0	0	0	0	108.8	N42	N42-S44 PolarHBondContact O-N 2.88Å
45	V	48	Very low	47.2	Very low	77 Å²	77	122.1 Å²	122.1	47%	0.467	67%	0.665	S	S	.	*			trans	-61.2	135.5	169.4	-177.6	0	0	0	0	108	Q47	V45-Q47 PolarHBondContact O-N 3.02Å
46	P	38.9	Very low	50.3	Low	112 Å²	112	117.6 Å²	117.6	73%	0.727	64%	0.644	S	S	*	*			trans	-59.3	115.3	177.6	-19.7	30.5	0	0	0	110.5
47	Q	46.3	Very low	53.6	Low	135 Å²	135	117.1 Å²	117.1	63%	0.631	63%	0.63	S	S	*	*			trans	-89.8	106.7	168.9	-71.3	178.6	-16.7	0	0	108	V45	V45-Q47 PolarHBondContact O-N 3.02Å
48	E	42.3	Very low	56.9	Low	163 Å²	163	112.3 Å²	112.3	76%	0.762	60%	0.596	S	S	*	*	B	Isolated β-bridge	trans	-86	119.8	159.8	-81.9	-176	155.5	0	0	107.6	G50 I51	E48-G50 PolarHBondContact O-N 3.31Å; E48-G50 VanDerWaalsContact O-N 3.15Å; E48-I51 PolarHBondContact O-N 2.77Å
49	N	47.3	Very low	60	Low	163 Å²	163	108.3 Å²	108.3	87%	0.872	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.2	22.3	177.9	-57.8	-21.3	0	0	0	116.3	I51	N49-I51 PolarHBondContact O-N 3.27Å
50	G	54.8	Low	63.2	Low	49 Å²	49	101.4 Å²	101.4	51%	0.505	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	76	1.9	178.2	0	0	0	0	0	115.1	E48	E48-G50 PolarHBondContact O-N 3.31Å; E48-G50 VanDerWaalsContact O-N 3.15Å
51	I	57.5	Low	66.2	Low	112 Å²	112	95.7 Å²	95.7	57%	0.574	54%	0.535	S	S	*	.	B	Isolated β-bridge	trans	-89.3	121.3	174.7	-58.3	176.7	0	0	0	108.4	E48 N49	E48-I51 PolarHBondContact O-N 2.77Å; N49-I51 PolarHBondContact O-N 3.27Å
52	R	68.1	Low	69.2	Low	128 Å²	128	89.3 Å²	89.3	48%	0.483	51%	0.508	S	S	.	.			trans	-71	129.5	176.2	-61.9	-174.3	-157.6	-179.9	11.9	109.6	E159	R52-E159 IonicContact CZ-OE2 2.67Å; R52-E159 IonicContact NE-OE2 2.78Å; R52-E159 IonicContact NH2-OE1 3.45Å; R52-E159 PolarHBondContact NH2-OE1 3.5Å; R52-E159 IonicContact NH2-OE2 3.38Å
53	K	81.1	Confident	71.7	Confident	159 Å²	159	83.9 Å²	83.9	69%	0.691	48%	0.478	S	S	*	.			trans	-96.3	115.2	-178.8	-165.3	177.3	-174.7	174.5	0	109.7
54	H	91.1	Very high	73.4	Confident	52 Å²	52	83.7 Å²	83.7	24%	0.241	46%	0.464	C	S	.	.			trans	-76.2	156.4	176.7	-58	-64	0	0	0	112.3	R158 D160 A376	H54-R158 PolarHBondContact NE2-NE 3.46Å; H54-D160 IonicContact NE2-OD1 2.8Å; H54-A376 HydrophobicContact CB-CB 3.71Å
55	R	94.2	Very high	74.8	Confident	36 Å²	36	81 Å²	81	14%	0.136	44%	0.438	C	S	.	.			trans	-60.9	142.9	173	69.5	-176	-175.1	176.2	5.2	111.8	M375 E379 E403	R55-M375 PolarHBondContact NE-O 2.99Å; R55-M375 PolarHBondContact NH2-O 3.05Å; R55-E379 WeakPolarHBondContact CB-OE1 3.19Å; R55-E379 HydrophobicContact CG-CB 4.13Å; R55-E379 HydrophobicContact CG-CG 4.19Å; R55-E379 WeakPolarHBondContact CG-OE2 3.48Å; R55-E379 PolarHBondContact N-OE1 2.6Å; R55-E379 PolarHBondContact N-OE2 2.92Å; R55-E403 IonicContact CZ-OE1 3.59Å; R55-E403 IonicContact CZ-OE2 3.37Å; R55-E403 IonicContact NH1-OE1 3.58Å; R55-E403 PolarHBondContact NH1-OE1 3.31Å; R55-E403 IonicContact NH1-OE2 3.2Å; R55-E403 PolarHBondContact NH1-OE2 2.62Å; R55-E403 IonicContact NH2-OE1 3.47Å; R55-E403 PolarHBondContact NH2-OE1 2.95Å; R55-E403 IonicContact NH2-OE2 3.85Å
56	T	94.1	Very high	75.6	Confident	73 Å²	73	84.4 Å²	84.4	45%	0.448	45%	0.454	S	S	.	.	S	Bend	trans	-112.4	11	178.4	59.3	0	0	0	0	112.5	H363	T56-H363 PolarHBondContact O-CE1 2.86Å; T56-H363 PolarHBondContact O-NE2 3.49Å
57	S	96.3	Very high	76.4	Confident	53 Å²	53	84.9 Å²	84.9	37%	0.371	46%	0.455	S	S	.	.	S	Bend	trans	-155.8	151.1	178.2	57.1	0	0	0	0	110.4
58	L	96.8	Very high	77.2	Confident	7 Å²	7	81 Å²	81	4%	0.037	44%	0.44	C	S	.	.			trans	-79.1	160.5	170.3	-54.2	178.4	0	0	0	110.7	A60 P94 M367 Y368 F370 E403	L58-A60 VanDerWaalsContact C-N 3.29Å; L58-A60 PolarHBondContact O-N 3.47Å; L58-P94 HydrophobicContact CD1-CG 4Å; L58-M367 HydrophobicContact CB-SD 3.68Å; L58-M367 HydrophobicContact CD1-CB 4.3Å; L58-M367 HydrophobicContact CD1-SD 4.25Å; L58-M367 HydrophobicContact CG-CB 4.39Å; L58-M367 HydrophobicContact CG-SD 4.04Å; L58-Y368 HydrophobicContact CD1-CD2 3.69Å; L58-Y368 HydrophobicContact CD1-CE2 3.96Å; L58-F370 HydrophobicContact CD1-CD2 4.09Å; L58-F370 HydrophobicContact CD1-CE2 4.03Å; L58-F370 HydrophobicContact CD2-CD2 4.32Å; L58-F370 HydrophobicContact CD2-CE2 4.42Å; L58-E403 HydrophobicContact CD2-CG 4.27Å
59	P	95.9	Very high	78.4	Confident	82 Å²	82	76.2 Å²	76.2	53%	0.532	43%	0.425	S	S	.	.	S	Bend	trans	-62.5	-32	177.8	-22.3	35.1	0	0	0	113.8	N404	P59-N404 WeakPolarHBondContact CB-OD1 3.48Å; P59-N404 WeakPolarHBondContact CG-OD1 3.37Å
60	A	96.5	Very high	79.2	Confident	15 Å²	15	69.7 Å²	69.7	12%	0.124	39%	0.39	C	S	.	.	S	Bend	trans	-133.2	150.1	177.2	0	0	0	0	0	111.2	L58 N404	L58-A60 VanDerWaalsContact C-N 3.29Å; L58-A60 PolarHBondContact O-N 3.47Å; A60-N404 VanDerWaalsContact CB-C 3.5Å
61	P	94.8	Very high	79.8	Confident	80 Å²	80	71.8 Å²	71.8	52%	0.519	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-67.6	160.2	171.2	31.1	-35.4	0	0	0	111.2	K366	P61-K366 CarbonylContact C-O 3.51Å; P61-K366 VanDerWaalsContact CA-O 3.28Å; P61-K366 WeakPolarHBondContact CA-O 3.47Å; P61-K366 HydrophobicContact CB-CB 4.47Å
62	M	91.9	Very high	80.2	Confident	48 Å²	48	69.5 Å²	69.5	24%	0.236	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-63.4	146.3	170.4	72.8	174.9	-68.7	0	0	111.4	R65 K366 Y368	M62-R65 HydrophobicContact CE-CG 4.37Å; M62-K366 PolarHBondContact N-O 2.94Å; M62-Y368 HydrophobicContact CB-CD1 3.69Å; M62-Y368 HydrophobicContact CB-CD2 3.78Å; M62-Y368 HydrophobicContact CB-CE1 3.46Å; M62-Y368 VanDerWaalsContact CB-CE1 3.46Å; M62-Y368 HydrophobicContact CB-CE2 3.54Å; M62-Y368 HydrophobicContact CB-CG 3.84Å; M62-Y368 HydrophobicContact CE-CD1 4.22Å; M62-Y368 HydrophobicContact CE-CE1 4.49Å; M62-Y368 HydrophobicContact SD-CD1 4.39Å
63	F	85.2	Confident	80.1	Confident	39 Å²	39	64.4 Å²	64.4	17%	0.171	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-75.8	157.3	173.4	51.4	-90.5	0	0	0	110.9	R65 V90 Y368 M402 I407	F63-R65 HydrophobicContact CE2-CG 4.27Å; F63-R65 PolarHBondContact O-N 3.22Å; F63-V90 HydrophobicContact CD2-CB 4.28Å; F63-V90 HydrophobicContact CD2-CG1 4.31Å; F63-V90 HydrophobicContact CE2-CB 3.65Å; F63-V90 HydrophobicContact CE2-CG1 4.07Å; F63-V90 WeakPolarHBondContact CE2-O 3.31Å; F63-V90 VanDerWaalsContact CZ-CA 3.43Å; F63-V90 HydrophobicContact CZ-CB 4.26Å; F63-V90 VanDerWaalsContact CZ-O 3.28Å; F63-V90 WeakPolarHBondContact CZ-O 3.38Å; F63-Y368 WeakPolarHBondContact CD1-OH 3.26Å; F63-Y368 HydrophobicContact CE1-CE1 4.01Å; F63-Y368 WeakPolarHBondContact CE1-OH 3.33Å; F63-Y368 HydrophobicContact CZ-CE1 4.24Å; F63-M402 HydrophobicContact CE1-CE 3.43Å; F63-M402 VanDerWaalsContact CE1-CE 3.43Å; F63-M402 HydrophobicContact CE1-CG 4.32Å; F63-M402 HydrophobicContact CZ-CE 3.65Å; F63-I407 HydrophobicContact CD1-CD1 3.3Å; F63-I407 HydrophobicContact CD1-CG1 3.91Å; F63-I407 HydrophobicContact CE1-CD1 3.45Å; F63-I407 VanDerWaalsContact CE1-CD1 3.45Å; F63-I407 HydrophobicContact CE1-CG1 4.46Å; F63-I407 HydrophobicContact CG-CD1 4.16Å; F63-I407 HydrophobicContact CG-CG1 4.35Å; F63-I407 HydrophobicContact CZ-CD1 4.45Å
64	S	78.5	Confident	79.4	Confident	72 Å²	72	57 Å²	57	50%	0.503	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-70.6	129.8	174.8	-176.8	0	0	0	0	110.3	N66	S64-N66 PolarHBondContact O-N 2.95Å; S64-N66 VanDerWaalsContact OG-CG 3.3Å; S64-N66 PolarHBondContact OG-N 3.32Å; S64-N66 PolarHBondContact OG-ND2 3.26Å
65	R	71.9	Confident	78.2	Confident	46 Å²	46	61.2 Å²	61.2	17%	0.174	34%	0.344	C	S	.	.			trans	-82.5	-1	177.5	-65.3	-177.8	176.6	168.6	2.3	113.3	M62 F63 T67 T142	M62-R65 HydrophobicContact CE-CG 4.37Å; F63-R65 HydrophobicContact CE2-CG 4.27Å; F63-R65 PolarHBondContact O-N 3.22Å; R65-T67 PolarHBondContact O-N 3.09Å; R65-T67 VanDerWaalsContact O-N 3.09Å; R65-T142 PolarHBondContact NH1-OG1 3.17Å
66	N	63.3	Low	76.7	Confident	148 Å²	148	66.8 Å²	66.8	79%	0.791	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.8	-166.9	-61.8	-6.4	0	0	0	114.4	S64	S64-N66 PolarHBondContact O-N 2.95Å; S64-N66 VanDerWaalsContact OG-CG 3.3Å; S64-N66 PolarHBondContact OG-N 3.32Å; S64-N66 PolarHBondContact OG-ND2 3.26Å
67	T	57	Low	75	Confident	123 Å²	123	63.5 Å²	63.5	76%	0.755	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-8.5	-174.9	53.6	0	0	0	0	114.1	R65	R65-T67 PolarHBondContact O-N 3.09Å; R65-T67 VanDerWaalsContact O-N 3.09Å
68	V	63.1	Low	73.3	Confident	53 Å²	53	66.1 Å²	66.1	32%	0.321	36%	0.358	S	S	.	.			trans	-133	124.8	-174.5	-172.8	0	0	0	0	111.5	V90 F91	V68-V90 HydrophobicContact CB-CG2 3.99Å; V68-V90 HydrophobicContact CG1-CG2 4.23Å; V68-V90 HydrophobicContact CG2-CG2 3.91Å; V68-F91 HydrophobicContact CB-CE2 4.34Å; V68-F91 HydrophobicContact CB-CZ 3.96Å; V68-F91 HydrophobicContact CG1-CE2 3.74Å; V68-F91 HydrophobicContact CG1-CZ 3.74Å; V68-F91 WeakPolarHBondContact O-CZ 3.42Å
69	S	66.1	Low	71.5	Confident	62 Å²	62	69.7 Å²	69.7	43%	0.434	40%	0.397	S	S	.	.			trans	-85.3	122.1	176	177.5	0	0	0	0	111.6	W71 S72	S69-W71 PolarHBondContact O-N 3.09Å; S69-W71 PolarHBondContact OG-N 2.85Å; S69-S72 PolarHBondContact O-N 3.35Å; S69-S72 PolarHBondContact O-OG 3.41Å
70	I	65.9	Low	70	Confident	27 Å²	27	70.4 Å²	70.4	14%	0.138	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-32.4	174.2	-63.6	174	0	0	0	111.3	S72 I73 L74 F91 I236 L241	I70-S72 VanDerWaalsContact C-N 3.3Å; I70-S72 PolarHBondContact O-N 2.94Å; I70-I73 WeakPolarHBondContact O-CB 3.48Å; I70-I73 PolarHBondContact O-N 3.14Å; I70-I73 VanDerWaalsContact O-N 3.08Å; I70-L74 HydrophobicContact CG2-CD1 3.49Å; I70-L74 VanDerWaalsContact CG2-CD1 3.49Å; I70-L74 HydrophobicContact CG2-CG 3.78Å; I70-L74 PolarHBondContact O-N 3.02Å; I70-F91 HydrophobicContact CB-CE1 4.39Å; I70-F91 HydrophobicContact CB-CZ 4.27Å; I70-F91 HydrophobicContact CD1-CD1 3.72Å; I70-F91 HydrophobicContact CD1-CE1 3.61Å; I70-F91 HydrophobicContact CD1-CZ 4.33Å; I70-F91 HydrophobicContact CG1-CD1 3.53Å; I70-F91 HydrophobicContact CG1-CD2 4.43Å; I70-F91 HydrophobicContact CG1-CE1 3.04Å; I70-F91 HydrophobicContact CG1-CE2 4Å; I70-F91 HydrophobicContact CG1-CG 4.21Å; I70-F91 HydrophobicContact CG1-CZ 3.29Å; I70-I236 VanDerWaalsContact CB-O 3.27Å; I70-I236 WeakPolarHBondContact CB-O 3.49Å; I70-I236 HydrophobicContact CG2-CB 4.38Å; I70-I236 WeakPolarHBondContact CG2-O 3.25Å; I70-L241 HydrophobicContact CD1-CD1 3.79Å; I70-L241 HydrophobicContact CD1-CD2 4.1Å; I70-L241 HydrophobicContact CD1-CG 4.47Å
71	W	65.7	Low	68.3	Low	93 Å²	93	74 Å²	74	35%	0.352	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-36.9	-179.2	178.9	-125.7	0	0	0	113.5	S69 I73 L74 K75 I78 F200 I237	S69-W71 PolarHBondContact O-N 3.09Å; S69-W71 PolarHBondContact OG-N 2.85Å; W71-I73 PolarHBondContact O-N 2.85Å; W71-L74 HydrophobicContact CE3-CB 4.12Å; W71-L74 PolarHBondContact O-N 2.84Å; W71-K75 VanDerWaalsContact O-CB 3.3Å; W71-K75 WeakPolarHBondContact O-CB 3.39Å; W71-K75 PolarHBondContact O-N 3.19Å; W71-I78 HydrophobicContact CH2-CD1 4.45Å; W71-F200 HydrophobicContact CZ3-CZ 4.01Å; W71-I237 HydrophobicContact CB-CG2 4Å; W71-I237 HydrophobicContact CD2-CD1 4.01Å; W71-I237 HydrophobicContact CD2-CG1 4.09Å; W71-I237 HydrophobicContact CD2-CG2 3.88Å; W71-I237 HydrophobicContact CE3-CB 4.35Å; W71-I237 HydrophobicContact CE3-CD1 3.31Å; W71-I237 HydrophobicContact CE3-CG1 3.45Å; W71-I237 VanDerWaalsContact CE3-CG1 3.45Å; W71-I237 HydrophobicContact CE3-CG2 4.14Å; W71-I237 HydrophobicContact CG-CG2 3.85Å; W71-I237 HydrophobicContact CH2-CD1 3.81Å; W71-I237 HydrophobicContact CZ2-CD1 4.45Å; W71-I237 HydrophobicContact CZ3-CD1 3.22Å; W71-I237 HydrophobicContact CZ3-CG1 3.88Å
72	S	67.1	Low	66.7	Low	64 Å²	64	71 Å²	71	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-59.2	-28.7	177.7	69.1	0	0	0	0	112.7	S69 I70	S69-S72 PolarHBondContact O-N 3.35Å; S69-S72 PolarHBondContact O-OG 3.41Å; I70-S72 VanDerWaalsContact C-N 3.3Å; I70-S72 PolarHBondContact O-N 2.94Å
73	I	66.3	Low	65	Low	20 Å²	20	70.3 Å²	70.3	10%	0.103	39%	0.389	C	S	.	.	H	α-helix	trans	-85.8	-51.9	175.9	-59.5	132.7	0	0	0	109.3	I70 W71 K75 K76 C77 I85 M87 P88 F91	I70-I73 WeakPolarHBondContact O-CB 3.48Å; I70-I73 PolarHBondContact O-N 3.14Å; I70-I73 VanDerWaalsContact O-N 3.08Å; W71-I73 PolarHBondContact O-N 2.85Å; I73-K75 VanDerWaalsContact C-N 3.27Å; I73-K75 PolarHBondContact O-N 2.69Å; I73-K76 WeakPolarHBondContact O-CA 3.32Å; I73-K76 VanDerWaalsContact O-CB 3.31Å; I73-K76 WeakPolarHBondContact O-CB 3.48Å; I73-K76 PolarHBondContact O-N 2.71Å; I73-C77 PolarHBondContact O-N 3.01Å; I73-C77 PolarHBondContact O-SG 3.3Å; I73-I85 HydrophobicContact CG2-CG2 4.14Å; I73-M87 HydrophobicContact CG2-SD 4.01Å; I73-P88 HydrophobicContact CD1-CG 3.57Å; I73-P88 HydrophobicContact CG1-CG 4.01Å; I73-F91 HydrophobicContact CD1-CD2 4.15Å; I73-F91 HydrophobicContact CD1-CE2 3.51Å; I73-F91 HydrophobicContact CD1-CZ 4.4Å
74	L	65.1	Low	63.8	Low	5 Å²	5	72.5 Å²	72.5	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-59.9	-33	-177.7	-69.2	173.8	0	0	0	114	I70 W71 K76 C77 I78 L82 F200 I236	I70-L74 HydrophobicContact CG2-CD1 3.49Å; I70-L74 VanDerWaalsContact CG2-CD1 3.49Å; I70-L74 HydrophobicContact CG2-CG 3.78Å; I70-L74 PolarHBondContact O-N 3.02Å; W71-L74 HydrophobicContact CE3-CB 4.12Å; W71-L74 PolarHBondContact O-N 2.84Å; L74-K76 PolarHBondContact O-N 2.78Å; L74-C77 VanDerWaalsContact CA-SG 3.55Å; L74-C77 WeakPolarHBondContact O-CA 3.33Å; L74-C77 VanDerWaalsContact O-CB 3.24Å; L74-C77 WeakPolarHBondContact O-CB 3.34Å; L74-C77 PolarHBondContact O-N 3.41Å; L74-I78 PolarHBondContact O-N 2.81Å; L74-L82 HydrophobicContact CD2-CD2 3.75Å; L74-F200 HydrophobicContact CD1-CE2 4.11Å; L74-I236 HydrophobicContact CD1-CB 3.96Å; L74-I236 HydrophobicContact CD1-CD1 3.24Å; L74-I236 HydrophobicContact CD1-CG1 3.34Å; L74-I236 HydrophobicContact CD2-CD1 4.38Å; L74-I236 HydrophobicContact CG-CD1 4.45Å
75	K	67.1	Low	63	Low	139 Å²	139	70.5 Å²	70.5	60%	0.604	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-58.7	-36.2	173	-174.8	-178.8	178.1	-175.3	0	111.6	W71 I73 C77	W71-K75 VanDerWaalsContact O-CB 3.3Å; W71-K75 WeakPolarHBondContact O-CB 3.39Å; W71-K75 PolarHBondContact O-N 3.19Å; I73-K75 VanDerWaalsContact C-N 3.27Å; I73-K75 PolarHBondContact O-N 2.69Å; K75-C77 PolarHBondContact O-N 3.35Å
76	K	62.3	Low	62.6	Low	153 Å²	153	71.4 Å²	71.4	67%	0.665	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-75.2	-14.6	174.3	-56.6	-179.7	-179.6	-174.9	0	112.3	I73 L74	I73-K76 WeakPolarHBondContact O-CA 3.32Å; I73-K76 VanDerWaalsContact O-CB 3.31Å; I73-K76 WeakPolarHBondContact O-CB 3.48Å; I73-K76 PolarHBondContact O-N 2.71Å; L74-K76 PolarHBondContact O-N 2.78Å
77	C	57.6	Low	62.9	Low	5 Å²	5	65.6 Å²	65.6	3%	0.034	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-91.9	-7.7	-179	-49.3	0	0	0	0	114.4	I73 L74 K75 G79 L80 L82 I85	I73-C77 PolarHBondContact O-N 3.01Å; I73-C77 PolarHBondContact O-SG 3.3Å; L74-C77 VanDerWaalsContact CA-SG 3.55Å; L74-C77 WeakPolarHBondContact O-CA 3.33Å; L74-C77 VanDerWaalsContact O-CB 3.24Å; L74-C77 WeakPolarHBondContact O-CB 3.34Å; L74-C77 PolarHBondContact O-N 3.41Å; K75-C77 PolarHBondContact O-N 3.35Å; C77-G79 PolarHBondContact O-N 2.99Å; C77-G79 VanDerWaalsContact O-N 3.08Å; C77-L80 PolarHBondContact O-N 3.29Å; C77-L82 HydrophobicContact CB-CD2 3.68Å; C77-I85 HydrophobicContact CB-CD1 3.41Å; C77-I85 VanDerWaalsContact CB-CD1 3.41Å; C77-I85 WeakPolarHBondContact SG-CD1 3.34Å
78	I	61.8	Low	63.7	Low	107 Å²	107	62 Å²	62	55%	0.549	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	115.3	-174.8	-61.9	174.9	0	0	0	109.2	W71 L74 F200	W71-I78 HydrophobicContact CH2-CD1 4.45Å; L74-I78 PolarHBondContact O-N 2.81Å; I78-F200 HydrophobicContact CG1-CE1 4.41Å
79	G	59.6	Low	64.7	Low	83 Å²	83	59.8 Å²	59.8	86%	0.856	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-4.1	-179.2	0	0	0	0	0	115.8	C77	C77-G79 PolarHBondContact O-N 2.99Å; C77-G79 VanDerWaalsContact O-N 3.08Å
80	L	62.3	Low	65.4	Low	96 Å²	96	58 Å²	58	50%	0.503	31%	0.312	S	S	.	.	S	Bend	trans	-109.6	157.1	177.7	-64.1	175.7	0	0	0	112.1	C77 L82 I85	C77-L80 PolarHBondContact O-N 3.29Å; L80-L82 PolarHBondContact O-N 3.21Å; L80-I85 HydrophobicContact CB-CD1 4.33Å; L80-I85 HydrophobicContact CD1-CD1 4.36Å
81	E	62.6	Low	66.3	Low	92 Å²	92	57.3 Å²	57.3	43%	0.43	31%	0.308	S	S	.	.			trans	-67.9	119.5	168.1	-72.6	-170.7	148.2	0	0	110.3	S83 K84	E81-S83 PolarHBondContact O-N 2.79Å; E81-S83 VanDerWaalsContact O-N 3.08Å; E81-K84 HydrophobicContact CB-CD 4.2Å; E81-K84 HydrophobicContact CB-CG 4.2Å; E81-K84 WeakPolarHBondContact O-CB 3.19Å; E81-K84 PolarHBondContact O-N 3.33Å; E81-K84 VanDerWaalsContact OE2-CE 3.26Å; E81-K84 WeakPolarHBondContact OE2-CE 3.42Å; E81-K84 IonicContact OE2-NZ 3.16Å
82	L	60.1	Low	67.5	Low	16 Å²	16	53 Å²	53	8%	0.084	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.2	-26.8	-177.2	-74.7	167.4	0	0	0	114.5	L74 C77 L80 K84 I85 L198 F200 V205	L74-L82 HydrophobicContact CD2-CD2 3.75Å; C77-L82 HydrophobicContact CB-CD2 3.68Å; L80-L82 PolarHBondContact O-N 3.21Å; L82-K84 PolarHBondContact O-N 3.34Å; L82-I85 PolarHBondContact O-N 2.85Å; L82-L198 HydrophobicContact CB-CB 4Å; L82-L198 HydrophobicContact CB-CD1 3.87Å; L82-L198 HydrophobicContact CD1-CB 3.99Å; L82-F200 HydrophobicContact CD1-CB 4.13Å; L82-V205 HydrophobicContact CD1-CG1 4.05Å; L82-V205 HydrophobicContact CD1-CG2 3.68Å
83	S	56.1	Low	68.8	Low	34 Å²	34	49.9 Å²	49.9	24%	0.238	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-64.9	-20.6	176.1	52.3	0	0	0	0	113.1	E81 I85	E81-S83 PolarHBondContact O-N 2.79Å; E81-S83 VanDerWaalsContact O-N 3.08Å; S83-I85 VanDerWaalsContact C-N 3.29Å
84	K	59.9	Low	70.3	Confident	85 Å²	85	49 Å²	49	37%	0.37	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-80.9	-8.8	179.2	-62.2	-178.3	179.2	177.3	0	112.7	A10 E81 L82	A10-K84 WeakPolarHBondContact CB-O 3.42Å; E81-K84 HydrophobicContact CB-CD 4.2Å; E81-K84 HydrophobicContact CB-CG 4.2Å; E81-K84 WeakPolarHBondContact O-CB 3.19Å; E81-K84 PolarHBondContact O-N 3.33Å; E81-K84 VanDerWaalsContact OE2-CE 3.26Å; E81-K84 WeakPolarHBondContact OE2-CE 3.42Å; E81-K84 IonicContact OE2-NZ 3.16Å; L82-K84 PolarHBondContact O-N 3.34Å
85	I	62.4	Low	71.9	Confident	30 Å²	30	48.8 Å²	48.8	15%	0.154	27%	0.265	C	S	.	.	S	Bend	trans	-105.6	125.2	-170.8	-61.7	173.2	0	0	0	110.6	I73 C77 L80 L82 S83 M87	I73-I85 HydrophobicContact CG2-CG2 4.14Å; C77-I85 HydrophobicContact CB-CD1 3.41Å; C77-I85 VanDerWaalsContact CB-CD1 3.41Å; C77-I85 WeakPolarHBondContact SG-CD1 3.34Å; L80-I85 HydrophobicContact CB-CD1 4.33Å; L80-I85 HydrophobicContact CD1-CD1 4.36Å; L82-I85 PolarHBondContact O-N 2.85Å; S83-I85 VanDerWaalsContact C-N 3.29Å; I85-M87 PolarHBondContact O-N 3.46Å
86	T	63.8	Low	73.4	Confident	65 Å²	65	42.1 Å²	42.1	40%	0.399	24%	0.236	S	C	.	.			trans	-68.8	103.4	176	-55.6	0	0	0	0	109.1	E418	T86-E418 WeakPolarHBondContact CG2-OE2 3.47Å; T86-E418 PolarHBondContact OG1-OE2 3.31Å
87	M	68.4	Low	75.1	Confident	25 Å²	25	36.5 Å²	36.5	12%	0.123	21%	0.212	C	C	.	.			trans	-68.1	136.1	173.3	-71.2	-65.2	-67.1	0	0	109.4	I73 I85 F91 K144 K414	I73-M87 HydrophobicContact CG2-SD 4.01Å; I85-M87 PolarHBondContact O-N 3.46Å; M87-F91 HydrophobicContact CE-CB 4.01Å; M87-F91 HydrophobicContact CE-CD2 3.93Å; M87-F91 HydrophobicContact CE-CG 4.07Å; M87-K144 HydrophobicContact CB-CD 4.13Å; M87-K144 HydrophobicContact CG-CD 3.74Å; M87-K414 PolarHBondContact O-NZ 2.69Å
88	P	74.8	Confident	77	Confident	47 Å²	47	36.2 Å²	36.2	31%	0.305	21%	0.21	S	C	.	.			trans	-54.6	142	171.1	-29.6	38.2	0	0	0	111.4	I73 V90 F91	I73-P88 HydrophobicContact CD1-CG 3.57Å; I73-P88 HydrophobicContact CG1-CG 4.01Å; P88-V90 HydrophobicContact CB-CG2 3.96Å; P88-V90 PolarHBondContact O-N 2.86Å; P88-F91 HydrophobicContact CB-CD2 4.05Å; P88-F91 HydrophobicContact CB-CE2 4.23Å; P88-F91 HydrophobicContact CG-CD2 4.28Å; P88-F91 HydrophobicContact CG-CE2 4.27Å; P88-F91 PolarHBondContact O-N 3.37Å
89	I	82.9	Confident	78.8	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.041	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.6	-22.5	-173.6	-157.5	155.2	0	0	0	113.1	F91 N92 F146 M402 I407 A410 S411 K414	I89-F91 PolarHBondContact O-N 2.74Å; I89-N92 VanDerWaalsContact O-CB 3.31Å; I89-N92 WeakPolarHBondContact O-CB 3.16Å; I89-N92 PolarHBondContact O-N 3.49Å; I89-F146 HydrophobicContact CD1-CE1 4.03Å; I89-F146 HydrophobicContact CD1-CZ 3.82Å; I89-F146 HydrophobicContact CG1-CE1 4.27Å; I89-F146 HydrophobicContact CG1-CZ 3.81Å; I89-M402 HydrophobicContact CD1-SD 4.49Å; I89-M402 HydrophobicContact CG1-SD 3.8Å; I89-I407 HydrophobicContact CG2-CG2 3.69Å; I89-A410 HydrophobicContact CD1-CB 3.32Å; I89-A410 VanDerWaalsContact CD1-O 3.27Å; I89-A410 WeakPolarHBondContact CD1-O 3.16Å; I89-A410 HydrophobicContact CG1-CB 4.45Å; I89-S411 WeakPolarHBondContact CG2-OG 3.42Å; I89-K414 HydrophobicContact CD1-CB 4.49Å; I89-K414 HydrophobicContact CD1-CD 4.3Å
90	V	82.3	Confident	80.6	Confident	23 Å²	23	27.8 Å²	27.8	14%	0.139	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-64.2	-20.2	175.7	-62	0	0	0	0	113.5	F63 V68 P88 N92 I407	F63-V90 HydrophobicContact CD2-CB 4.28Å; F63-V90 HydrophobicContact CD2-CG1 4.31Å; F63-V90 HydrophobicContact CE2-CB 3.65Å; F63-V90 HydrophobicContact CE2-CG1 4.07Å; F63-V90 WeakPolarHBondContact CE2-O 3.31Å; F63-V90 VanDerWaalsContact CZ-CA 3.43Å; F63-V90 HydrophobicContact CZ-CB 4.26Å; F63-V90 VanDerWaalsContact CZ-O 3.28Å; F63-V90 WeakPolarHBondContact CZ-O 3.38Å; V68-V90 HydrophobicContact CB-CG2 3.99Å; V68-V90 HydrophobicContact CG1-CG2 4.23Å; V68-V90 HydrophobicContact CG2-CG2 3.91Å; P88-V90 HydrophobicContact CB-CG2 3.96Å; P88-V90 PolarHBondContact O-N 2.86Å; V90-N92 VanDerWaalsContact C-N 3.34Å; V90-I407 HydrophobicContact CG1-CG2 4.47Å
91	F	84	Confident	82.3	Confident	13 Å²	13	23.3 Å²	23.3	6%	0.057	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-89.9	-7.1	173.3	-61.5	-62.5	0	0	0	112.8	V68 I70 I73 M87 P88 I89 G143 K144	V68-F91 HydrophobicContact CB-CE2 4.34Å; V68-F91 HydrophobicContact CB-CZ 3.96Å; V68-F91 HydrophobicContact CG1-CE2 3.74Å; V68-F91 HydrophobicContact CG1-CZ 3.74Å; V68-F91 WeakPolarHBondContact O-CZ 3.42Å; I70-F91 HydrophobicContact CB-CE1 4.39Å; I70-F91 HydrophobicContact CB-CZ 4.27Å; I70-F91 HydrophobicContact CD1-CD1 3.72Å; I70-F91 HydrophobicContact CD1-CE1 3.61Å; I70-F91 HydrophobicContact CD1-CZ 4.33Å; I70-F91 HydrophobicContact CG1-CD1 3.53Å; I70-F91 HydrophobicContact CG1-CD2 4.43Å; I70-F91 HydrophobicContact CG1-CE1 3.04Å; I70-F91 HydrophobicContact CG1-CE2 4Å; I70-F91 HydrophobicContact CG1-CG 4.21Å; I70-F91 HydrophobicContact CG1-CZ 3.29Å; I73-F91 HydrophobicContact CD1-CD2 4.15Å; I73-F91 HydrophobicContact CD1-CE2 3.51Å; I73-F91 HydrophobicContact CD1-CZ 4.4Å; M87-F91 HydrophobicContact CE-CB 4.01Å; M87-F91 HydrophobicContact CE-CD2 3.93Å; M87-F91 HydrophobicContact CE-CG 4.07Å; P88-F91 HydrophobicContact CB-CD2 4.05Å; P88-F91 HydrophobicContact CB-CE2 4.23Å; P88-F91 HydrophobicContact CG-CD2 4.28Å; P88-F91 HydrophobicContact CG-CE2 4.27Å; P88-F91 PolarHBondContact O-N 3.37Å; I89-F91 PolarHBondContact O-N 2.74Å; F91-G143 WeakPolarHBondContact O-CA 3.38Å; F91-K144 PolarHBondContact O-N 2.74Å
92	N	91.4	Very high	84	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	166.2	178.1	-74.4	100.6	0	0	0	111.8	I89 V90 K144 P145 F146 M402 K414	I89-N92 VanDerWaalsContact O-CB 3.31Å; I89-N92 WeakPolarHBondContact O-CB 3.16Å; I89-N92 PolarHBondContact O-N 3.49Å; V90-N92 VanDerWaalsContact C-N 3.34Å; N92-K144 CarbonylContact C-O 3.6Å; N92-K144 WeakPolarHBondContact CA-O 3.31Å; N92-K144 WeakPolarHBondContact CB-O 3.29Å; N92-K144 PolarHBondContact ND2-O 2.8Å; N92-P145 PolarHBondContact ND2-O 3.46Å; N92-F146 HydrophobicContact CB-CD2 4.1Å; N92-F146 HydrophobicContact CB-CE2 3.66Å; N92-F146 HydrophobicContact CB-CZ 4.06Å; N92-M402 HydrophobicContact CB-CE 3.87Å; N92-M402 HydrophobicContact CB-SD 3.87Å; N92-M402 WeakPolarHBondContact O-CE 3.34Å; N92-K414 PolarHBondContact OD1-NZ 3.46Å; N92-K414 VanDerWaalsContact OD1-NZ 3.08Å
93	E	95.1	Very high	85.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.5	155.8	61.1	178.1	-155.7	0	0	108.3	L95 R100 R141 K144 F146 Y368 F370	E93-L95 PolarHBondContact O-N 3.38Å; E93-R100 IonicContact OE1-CZ 3.92Å; E93-R100 IonicContact OE1-NE 2.77Å; E93-R100 PolarHBondContact OE1-NE 3.32Å; E93-R100 IonicContact OE1-NH2 2.93Å; E93-R100 PolarHBondContact OE1-NH2 2.59Å; E93-R100 IonicContact OE2-CZ 2.7Å; E93-R100 IonicContact OE2-NH2 2.87Å; E93-R100 PolarHBondContact OE2-NH2 2.65Å; E93-R141 VanDerWaalsContact CD-NH2 3.27Å; E93-R141 IonicContact OE1-CZ 2.68Å; E93-R141 IonicContact OE1-NE 3.78Å; E93-R141 IonicContact OE1-NH2 3.85Å; E93-R141 PolarHBondContact OE1-NH2 2.74Å; E93-R141 IonicContact OE2-CZ 3.16Å; E93-R141 IonicContact OE2-NE 3.68Å; E93-R141 PolarHBondContact OE2-NE 2.94Å; E93-R141 IonicContact OE2-NH2 3.17Å; E93-R141 PolarHBondContact OE2-NH2 3.45Å; E93-K144 PolarHBondContact N-O 3.07Å; E93-F146 VanDerWaalsContact O-CD2 3.25Å; E93-F146 WeakPolarHBondContact O-CD2 3.3Å; E93-F146 VanDerWaalsContact O-CE2 3.29Å; E93-F146 WeakPolarHBondContact O-CE2 3.41Å; E93-Y368 HydrophobicContact CB-CD1 4.07Å; E93-Y368 HydrophobicContact CB-CG 4.36Å; E93-F370 HydrophobicContact CB-CE1 3.99Å; E93-F370 HydrophobicContact CB-CZ 4.01Å; E93-F370 HydrophobicContact CG-CE1 4.35Å; E93-F370 HydrophobicContact CG-CZ 4.37Å; E93-F370 WeakPolarHBondContact OE2-CE1 3.39Å
94	P	97.3	Very high	87.8	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	50.9	-173.6	34.1	-38.1	0	0	0	112.6	L58 Y368 F370 I399 M402 E403	L58-P94 HydrophobicContact CD1-CG 4Å; P94-Y368 VanDerWaalsContact CD-CE2 3.46Å; P94-Y368 HydrophobicContact CG-CD2 3.87Å; P94-Y368 HydrophobicContact CG-CE2 3.63Å; P94-F370 HydrophobicContact CG-CE2 4.15Å; P94-F370 HydrophobicContact CG-CZ 4.14Å; P94-I399 HydrophobicContact CB-CG2 4.46Å; P94-I399 WeakPolarHBondContact O-CG2 3.41Å; P94-M402 HydrophobicContact CB-CG 4.37Å; P94-E403 HydrophobicContact CB-CB 3.78Å; P94-E403 HydrophobicContact CB-CG 4.1Å; P94-E403 HydrophobicContact CG-CB 4.47Å; P94-E403 HydrophobicContact CG-CG 4.34Å
95	L	98.3	Very high	89.7	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.5	172.2	-68.6	177.2	0	0	0	110.2	E93 Q99 P145 F146 F370 A374 L377 N378	E93-L95 PolarHBondContact O-N 3.38Å; L95-Q99 VanDerWaalsContact CA-OE1 3.29Å; L95-Q99 HydrophobicContact CB-CB 4.18Å; L95-Q99 HydrophobicContact CD2-CB 4.03Å; L95-Q99 HydrophobicContact CD2-CG 4.41Å; L95-P145 CarbonylContact O-C 3.49Å; L95-P145 VanDerWaalsContact O-CA 3.3Å; L95-P145 WeakPolarHBondContact O-CA 3.4Å; L95-P145 WeakPolarHBondContact O-CB 3.35Å; L95-F146 PolarHBondContact O-N 3.05Å; L95-F370 HydrophobicContact CD1-CD2 4.48Å; L95-F370 HydrophobicContact CD1-CE1 4.13Å; L95-F370 HydrophobicContact CD1-CE2 3.76Å; L95-F370 HydrophobicContact CD1-CZ 3.55Å; L95-F370 HydrophobicContact CD2-CE2 4.45Å; L95-F370 HydrophobicContact CG-CE2 3.83Å; L95-F370 HydrophobicContact CG-CZ 3.66Å; L95-A374 HydrophobicContact CD1-CB 4.39Å; L95-L377 HydrophobicContact CD1-CD1 4.23Å; L95-L377 HydrophobicContact CD2-CB 3.98Å; L95-N378 HydrophobicContact CD2-CB 3.87Å
96	S	98.3	Very high	91.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	154.7	165.9	175.5	0	0	0	0	110.3	L98 Q99 R100 E152	S96-L98 PolarHBondContact O-N 2.78Å; S96-L98 PolarHBondContact OG-N 3.07Å; S96-Q99 WeakPolarHBondContact O-CB 3.22Å; S96-Q99 PolarHBondContact O-N 2.85Å; S96-R100 PolarHBondContact O-N 2.83Å; S96-E152 VanDerWaalsContact CB-OE1 3.31Å; S96-E152 WeakPolarHBondContact CB-OE1 3.44Å; S96-E152 PolarHBondContact OG-OE1 3.21Å
97	F	97.6	Very high	93	Very high	34 Å²	34	10.9 Å²	10.9	15%	0.149	6%	0.055	C	C	.	.	H	α-helix	trans	-60.7	-27.7	172.1	-172.7	-124.4	0	0	0	112.3	Q99 R100 I101 P145 F146 P148 S177 I194 P196	F97-Q99 VanDerWaalsContact C-N 3.32Å; F97-Q99 PolarHBondContact O-N 2.95Å; F97-R100 HydrophobicContact CD2-CB 4.14Å; F97-R100 HydrophobicContact CD2-CG 4.28Å; F97-R100 HydrophobicContact CE2-CG 4.49Å; F97-R100 WeakPolarHBondContact O-CB 3.5Å; F97-R100 PolarHBondContact O-N 3.28Å; F97-I101 HydrophobicContact CD1-CD1 3.84Å; F97-I101 HydrophobicContact CD1-CG1 4.44Å; F97-I101 HydrophobicContact CE1-CD1 3.54Å; F97-I101 HydrophobicContact CE1-CG1 4.11Å; F97-I101 HydrophobicContact CE2-CG1 4.23Å; F97-I101 HydrophobicContact CG-CD1 4.45Å; F97-I101 HydrophobicContact CZ-CD1 3.93Å; F97-I101 HydrophobicContact CZ-CG1 3.99Å; F97-I101 WeakPolarHBondContact O-CG1 3.26Å; F97-I101 PolarHBondContact O-N 2.77Å; F97-P145 HydrophobicContact CB-CB 4.35Å; F97-P145 HydrophobicContact CB-CG 4.28Å; F97-P145 HydrophobicContact CD2-CG 3.8Å; F97-P145 HydrophobicContact CG-CG 4.49Å; F97-F146 PolarHBondContact N-O 3.47Å; F97-P148 HydrophobicContact CB-CG 3.73Å; F97-S177 WeakPolarHBondContact CD1-OG 3.45Å; F97-I194 HydrophobicContact CE1-CG2 4.16Å; F97-I194 HydrophobicContact CZ-CG2 3.88Å; F97-P196 HydrophobicContact CE1-CG 3.82Å; F97-P196 HydrophobicContact CZ-CB 4.27Å; F97-P196 HydrophobicContact CZ-CG 3.88Å
98	L	98.7	Very high	94.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.9	-40.7	173	-57.2	-172.5	0	0	0	112	S96 S102 P148 E152 F154	S96-L98 PolarHBondContact O-N 2.78Å; S96-L98 PolarHBondContact OG-N 3.07Å; L98-S102 PolarHBondContact O-N 3.03Å; L98-S102 PolarHBondContact O-OG 3.5Å; L98-P148 HydrophobicContact CD1-CB 4.34Å; L98-P148 HydrophobicContact CD2-CB 4.31Å; L98-P148 HydrophobicContact CD2-CG 3.98Å; L98-P148 HydrophobicContact CG-CB 3.98Å; L98-P148 HydrophobicContact CG-CG 3.78Å; L98-E152 HydrophobicContact CD1-CB 4.26Å; L98-E152 HydrophobicContact CD1-CG 3.94Å; L98-E152 WeakPolarHBondContact CD1-O 3.46Å; L98-F154 HydrophobicContact CB-CB 3.78Å; L98-F154 HydrophobicContact CD1-CB 4.19Å
99	Q	98.8	Very high	95.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.8	-42.6	173.4	-73.8	166.7	-32.8	0	0	111.1	L95 S96 F97 I101 S102 E103 F154 L377 N378 C393	L95-Q99 VanDerWaalsContact CA-OE1 3.29Å; L95-Q99 HydrophobicContact CB-CB 4.18Å; L95-Q99 HydrophobicContact CD2-CB 4.03Å; L95-Q99 HydrophobicContact CD2-CG 4.41Å; S96-Q99 WeakPolarHBondContact O-CB 3.22Å; S96-Q99 PolarHBondContact O-N 2.85Å; F97-Q99 VanDerWaalsContact C-N 3.32Å; F97-Q99 PolarHBondContact O-N 2.95Å; Q99-I101 VanDerWaalsContact C-N 3.32Å; Q99-I101 PolarHBondContact O-N 2.77Å; Q99-S102 WeakPolarHBondContact O-CA 3.42Å; Q99-S102 VanDerWaalsContact O-CB 3.31Å; Q99-S102 WeakPolarHBondContact O-CB 3.44Å; Q99-S102 PolarHBondContact O-N 2.83Å; Q99-E103 PolarHBondContact O-N 2.92Å; Q99-F154 HydrophobicContact CG-CD1 4.04Å; Q99-F154 HydrophobicContact CG-CD2 3.55Å; Q99-F154 HydrophobicContact CG-CE1 3.96Å; Q99-F154 HydrophobicContact CG-CE2 3.44Å; Q99-F154 VanDerWaalsContact CG-CE2 3.44Å; Q99-F154 HydrophobicContact CG-CG 3.83Å; Q99-F154 HydrophobicContact CG-CZ 3.67Å; Q99-L377 HydrophobicContact CB-CB 4.33Å; Q99-L377 HydrophobicContact CB-CD1 4.12Å; Q99-L377 HydrophobicContact CG-CB 4.3Å; Q99-L377 WeakPolarHBondContact O-CD1 3.37Å; Q99-N378 PolarHBondContact NE2-OD1 3.47Å; Q99-C393 PolarHBondContact NE2-SG 2.64Å; Q99-C393 VanDerWaalsContact NE2-SG 3.37Å
100	R	97.6	Very high	96.3	Very high	13 Å²	13	12.7 Å²	12.7	5%	0.049	6%	0.055	C	C	.	.	H	α-helix	trans	-58.7	-40.9	176.4	179.2	65.3	80.9	121.9	8.3	112.3	E93 S96 F97 S102 E103 Q138 R141 G143 P145	E93-R100 IonicContact OE1-CZ 3.92Å; E93-R100 IonicContact OE1-NE 2.77Å; E93-R100 PolarHBondContact OE1-NE 3.32Å; E93-R100 IonicContact OE1-NH2 2.93Å; E93-R100 PolarHBondContact OE1-NH2 2.59Å; E93-R100 IonicContact OE2-CZ 2.7Å; E93-R100 IonicContact OE2-NH2 2.87Å; E93-R100 PolarHBondContact OE2-NH2 2.65Å; S96-R100 PolarHBondContact O-N 2.83Å; F97-R100 HydrophobicContact CD2-CB 4.14Å; F97-R100 HydrophobicContact CD2-CG 4.28Å; F97-R100 HydrophobicContact CE2-CG 4.49Å; F97-R100 WeakPolarHBondContact O-CB 3.5Å; F97-R100 PolarHBondContact O-N 3.28Å; R100-S102 VanDerWaalsContact C-N 3.29Å; R100-E103 WeakPolarHBondContact CD-OE1 3.41Å; R100-E103 IonicContact NE-OE1 3.79Å; R100-E103 WeakPolarHBondContact O-CB 3.39Å; R100-E103 PolarHBondContact O-N 3.41Å; R100-Q138 VanDerWaalsContact NH1-CD 3.29Å; R100-R141 VanDerWaalsContact CZ-NH2 3.33Å; R100-R141 VanDerWaalsContact NE-NH2 3.13Å; R100-G143 PolarHBondContact NH2-O 2.9Å; R100-P145 HydrophobicContact CB-CB 4.22Å; R100-P145 HydrophobicContact CB-CG 4.3Å; R100-P145 HydrophobicContact CG-CG 4.37Å
101	I	97.3	Very high	97.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-35.7	174.8	-69.1	166.1	0	0	0	111	F97 Q99 E103 Y104 S177 F179 I194	F97-I101 HydrophobicContact CD1-CD1 3.84Å; F97-I101 HydrophobicContact CD1-CG1 4.44Å; F97-I101 HydrophobicContact CE1-CD1 3.54Å; F97-I101 HydrophobicContact CE1-CG1 4.11Å; F97-I101 HydrophobicContact CE2-CG1 4.23Å; F97-I101 HydrophobicContact CG-CD1 4.45Å; F97-I101 HydrophobicContact CZ-CD1 3.93Å; F97-I101 HydrophobicContact CZ-CG1 3.99Å; F97-I101 WeakPolarHBondContact O-CG1 3.26Å; F97-I101 PolarHBondContact O-N 2.77Å; Q99-I101 VanDerWaalsContact C-N 3.32Å; Q99-I101 PolarHBondContact O-N 2.77Å; I101-E103 PolarHBondContact O-N 3.43Å; I101-E103 VanDerWaalsContact O-N 3.17Å; I101-Y104 HydrophobicContact CG2-CD2 4.07Å; I101-Y104 HydrophobicContact CG2-CE2 4.04Å; I101-Y104 VanDerWaalsContact O-CB 3.27Å; I101-Y104 WeakPolarHBondContact O-CB 3.48Å; I101-Y104 WeakPolarHBondContact O-CD2 3.42Å; I101-Y104 PolarHBondContact O-N 2.8Å; I101-S177 VanDerWaalsContact CD1-CB 3.44Å; I101-F179 HydrophobicContact CG2-CB 4.25Å; I101-F179 HydrophobicContact CG2-CD1 3.43Å; I101-F179 VanDerWaalsContact CG2-CD1 3.43Å; I101-F179 HydrophobicContact CG2-CE1 3.91Å; I101-F179 HydrophobicContact CG2-CG 3.85Å; I101-I194 HydrophobicContact CD1-CB 4.17Å; I101-I194 HydrophobicContact CD1-CG1 4.42Å
102	S	98.4	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.1	-17.9	178.7	-57	0	0	0	0	113.2	L98 Q99 R100 Y104 M105 F154 L165 F373	L98-S102 PolarHBondContact O-N 3.03Å; L98-S102 PolarHBondContact O-OG 3.5Å; Q99-S102 WeakPolarHBondContact O-CA 3.42Å; Q99-S102 VanDerWaalsContact O-CB 3.31Å; Q99-S102 WeakPolarHBondContact O-CB 3.44Å; Q99-S102 PolarHBondContact O-N 2.83Å; R100-S102 VanDerWaalsContact C-N 3.29Å; S102-Y104 PolarHBondContact O-N 2.77Å; S102-M105 PolarHBondContact O-N 3.01Å; S102-M105 VanDerWaalsContact O-N 3.13Å; S102-F154 VanDerWaalsContact OG-CD1 3.27Å; S102-F154 WeakPolarHBondContact OG-CD1 3.39Å; S102-F154 VanDerWaalsContact OG-CE1 3.24Å; S102-F154 WeakPolarHBondContact OG-CE1 3.49Å; S102-L165 WeakPolarHBondContact OG-CD2 3.35Å; S102-F373 WeakPolarHBondContact O-CE1 3.47Å
103	E	98.4	Very high	98.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-62	-18.1	170	-60.9	-177.8	-137.5	0	0	112.7	Q99 R100 I101 M105 E106 S137 R141 F373 L377	Q99-E103 PolarHBondContact O-N 2.92Å; R100-E103 WeakPolarHBondContact CD-OE1 3.41Å; R100-E103 IonicContact NE-OE1 3.79Å; R100-E103 WeakPolarHBondContact O-CB 3.39Å; R100-E103 PolarHBondContact O-N 3.41Å; I101-E103 PolarHBondContact O-N 3.43Å; I101-E103 VanDerWaalsContact O-N 3.17Å; E103-M105 PolarHBondContact O-N 3.22Å; E103-M105 VanDerWaalsContact O-N 3.07Å; E103-E106 WeakPolarHBondContact O-CB 3.22Å; E103-E106 PolarHBondContact O-N 3.31Å; E103-S137 WeakPolarHBondContact OE2-CB 3.23Å; E103-S137 PolarHBondContact OE2-OG 3.19Å; E103-R141 IonicContact OE1-CZ 3.36Å; E103-R141 IonicContact OE1-NH1 3.16Å; E103-R141 PolarHBondContact OE1-NH1 3.47Å; E103-R141 VanDerWaalsContact OE1-NH1 3.14Å; E103-R141 IonicContact OE1-NH2 2.68Å; E103-R141 PolarHBondContact OE1-NH2 2.86Å; E103-R141 IonicContact OE2-CZ 3.45Å; E103-R141 IonicContact OE2-NH1 2.75Å; E103-R141 PolarHBondContact OE2-NH1 2.58Å; E103-R141 IonicContact OE2-NH2 2.74Å; E103-F373 HydrophobicContact CG-CD1 4.4Å; E103-L377 HydrophobicContact CG-CD1 3.73Å
104	Y	98.6	Very high	98.3	Very high	22 Å²	22	17.6 Å²	17.6	9%	0.086	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-54.4	-29	170.9	-68.1	-7.9	0	0	0	112.3	I101 S102 E106 F130 A134 V135 F179 F190 I194 I213 N228	I101-Y104 HydrophobicContact CG2-CD2 4.07Å; I101-Y104 HydrophobicContact CG2-CE2 4.04Å; I101-Y104 VanDerWaalsContact O-CB 3.27Å; I101-Y104 WeakPolarHBondContact O-CB 3.48Å; I101-Y104 WeakPolarHBondContact O-CD2 3.42Å; I101-Y104 PolarHBondContact O-N 2.8Å; S102-Y104 PolarHBondContact O-N 2.77Å; Y104-E106 VanDerWaalsContact C-N 3.35Å; Y104-E106 PolarHBondContact O-N 3.36Å; Y104-F130 WeakPolarHBondContact O-CE2 3.46Å; Y104-F130 WeakPolarHBondContact O-CZ 3.48Å; Y104-A134 HydrophobicContact CD1-CB 3.94Å; Y104-A134 VanDerWaalsContact CD1-O 3.23Å; Y104-A134 WeakPolarHBondContact CD1-O 3.37Å; Y104-A134 HydrophobicContact CG-CB 4.1Å; Y104-V135 HydrophobicContact CE1-CG1 4.23Å; Y104-F179 HydrophobicContact CD2-CZ 4.3Å; Y104-F179 HydrophobicContact CE2-CE1 4.45Å; Y104-F190 HydrophobicContact CD2-CE1 4.28Å; Y104-F190 HydrophobicContact CD2-CZ 4.2Å; Y104-I194 HydrophobicContact CE2-CG1 4.5Å; Y104-I213 HydrophobicContact CE2-CD1 4.16Å; Y104-N228 VanDerWaalsContact CZ-ND2 3.29Å; Y104-N228 PolarHBondContact OH-ND2 2.93Å
105	M	98.6	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-86.2	2.7	-178.3	-56.5	-53.7	-72.8	0	0	114	S102 E103 H107 T108 I111 F130 Q161 F163 L165 A181 F188 F190 F373	S102-M105 PolarHBondContact O-N 3.01Å; S102-M105 VanDerWaalsContact O-N 3.13Å; E103-M105 PolarHBondContact O-N 3.22Å; E103-M105 VanDerWaalsContact O-N 3.07Å; M105-H107 PolarHBondContact O-N 2.88Å; M105-H107 VanDerWaalsContact O-N 3.13Å; M105-T108 HydrophobicContact CE-CG2 4.24Å; M105-T108 WeakPolarHBondContact CE-OG1 3.46Å; M105-T108 PolarHBondContact O-N 3.2Å; M105-T108 PolarHBondContact O-OG1 3.22Å; M105-I111 HydrophobicContact CE-CD1 4.33Å; M105-F130 HydrophobicContact SD-CZ 4.2Å; M105-Q161 PolarHBondContact O-OE1 3.23Å; M105-F163 HydrophobicContact CB-CE1 4.01Å; M105-F163 HydrophobicContact CB-CE2 3.77Å; M105-F163 HydrophobicContact CB-CZ 3.48Å; M105-F163 VanDerWaalsContact CB-CZ 3.48Å; M105-F163 HydrophobicContact CE-CD2 4.13Å; M105-F163 HydrophobicContact CE-CG 4.17Å; M105-F163 HydrophobicContact CG-CD2 4.47Å; M105-F163 HydrophobicContact CG-CE2 3.98Å; M105-F163 HydrophobicContact CG-CZ 4.22Å; M105-L165 HydrophobicContact CG-CD1 3.75Å; M105-A181 HydrophobicContact CE-CB 3.85Å; M105-A181 HydrophobicContact SD-CB 4.21Å; M105-F188 HydrophobicContact CE-CE2 3.85Å; M105-F188 HydrophobicContact CE-CZ 4.02Å; M105-F190 HydrophobicContact CE-CD1 4.26Å; M105-F190 HydrophobicContact SD-CD1 3.24Å; M105-F190 WeakPolarHBondContact SD-CD1 3.42Å; M105-F190 HydrophobicContact SD-CE1 3.64Å; M105-F190 HydrophobicContact SD-CG 4.1Å; M105-F373 HydrophobicContact CB-CZ 4.34Å
106	E	98	Very high	98.3	Very high	28 Å²	28	21.9 Å²	21.9	13%	0.131	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-55.8	-35.6	-177.4	179.1	167.8	-145.5	0	0	112.9	E103 Y104 T371 F373	E103-E106 WeakPolarHBondContact O-CB 3.22Å; E103-E106 PolarHBondContact O-N 3.31Å; Y104-E106 VanDerWaalsContact C-N 3.35Å; Y104-E106 PolarHBondContact O-N 3.36Å; E106-T371 WeakPolarHBondContact OE1-CB 3.34Å; E106-T371 WeakPolarHBondContact OE1-CG2 3.37Å; E106-T371 PolarHBondContact OE1-OG1 2.8Å; E106-F373 HydrophobicContact CB-CB 4.29Å; E106-F373 HydrophobicContact CB-CD1 4.16Å; E106-F373 HydrophobicContact CB-CD2 4Å; E106-F373 HydrophobicContact CB-CE1 4.5Å; E106-F373 HydrophobicContact CB-CE2 4.36Å; E106-F373 HydrophobicContact CB-CG 3.9Å; E106-F373 HydrophobicContact CG-CB 3.76Å; E106-F373 HydrophobicContact CG-CD2 4.07Å; E106-F373 HydrophobicContact CG-CG 3.9Å; E106-F373 WeakPolarHBondContact OE1-CB 3.49Å
107	H	98.3	Very high	98.3	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.051	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-110.7	37.3	-176.8	-54.7	88.8	0	0	0	112.4	M105 Y109 L110 S133 W355	M105-H107 PolarHBondContact O-N 2.88Å; M105-H107 VanDerWaalsContact O-N 3.13Å; H107-Y109 HydrophobicContact CB-CD1 4.34Å; H107-Y109 HydrophobicContact CB-CE1 3.93Å; H107-Y109 AromaticContact CD2-CE1 3.91Å; H107-Y109 PolarHBondContact O-N 3.03Å; H107-L110 HydrophobicContact CB-CD1 3.88Å; H107-L110 HydrophobicContact CB-CG 4.42Å; H107-L110 WeakPolarHBondContact O-CB 3Å; H107-L110 PolarHBondContact O-N 3.22Å; H107-S133 WeakPolarHBondContact CB-OG 3.39Å; H107-W355 AromaticContact CD2-CD1 3.86Å; H107-W355 AromaticContact CD2-NE1 3.28Å; H107-W355 PolarHBondContact CD2-NE1 3.31Å; H107-W355 VanDerWaalsContact CD2-NE1 3.28Å; H107-W355 AromaticContact CE1-NE1 3.89Å; H107-W355 AromaticContact CG-NE1 3.86Å; H107-W355 AromaticContact NE2-NE1 3.29Å; H107-W355 PolarHBondContact NE2-NE1 3.28Å
108	T	98.3	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.5	-179.5	-63.2	0	0	0	0	113.7	M105 L110 I111 N112 F163 F188	M105-T108 HydrophobicContact CE-CG2 4.24Å; M105-T108 WeakPolarHBondContact CE-OG1 3.46Å; M105-T108 PolarHBondContact O-N 3.2Å; M105-T108 PolarHBondContact O-OG1 3.22Å; T108-L110 PolarHBondContact O-N 3.48Å; T108-I111 WeakPolarHBondContact O-CB 3.2Å; T108-I111 PolarHBondContact O-N 2.8Å; T108-N112 PolarHBondContact O-N 2.83Å; T108-F163 HydrophobicContact CG2-CD1 3.96Å; T108-F188 HydrophobicContact CG2-CE1 3.89Å; T108-F188 HydrophobicContact CG2-CZ 3.63Å
109	Y	98.3	Very high	98.3	Very high	116 Å²	116	30.8 Å²	30.8	46%	0.455	17%	0.165	S	C	.	.	H	α-helix	trans	-55.8	-25.1	173.9	76.4	-95.2	0	0	0	113.5	H107 N112 K113	H107-Y109 HydrophobicContact CB-CD1 4.34Å; H107-Y109 HydrophobicContact CB-CE1 3.93Å; H107-Y109 AromaticContact CD2-CE1 3.91Å; H107-Y109 PolarHBondContact O-N 3.03Å; Y109-N112 PolarHBondContact O-N 2.87Å; Y109-K113 WeakPolarHBondContact O-CB 3.35Å; Y109-K113 PolarHBondContact O-N 3.32Å
110	L	98.8	Very high	98.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-70.3	-36.5	175	-66.1	170.6	0	0	0	112	H107 T108 A114 A129 F130 W355	H107-L110 HydrophobicContact CB-CD1 3.88Å; H107-L110 HydrophobicContact CB-CG 4.42Å; H107-L110 WeakPolarHBondContact O-CB 3Å; H107-L110 PolarHBondContact O-N 3.22Å; T108-L110 PolarHBondContact O-N 3.48Å; L110-A114 PolarHBondContact O-N 2.87Å; L110-A129 HydrophobicContact CD1-CB 4.06Å; L110-A129 HydrophobicContact CD2-CB 4.14Å; L110-F130 HydrophobicContact CB-CB 3.95Å; L110-F130 HydrophobicContact CD1-CB 4.35Å; L110-W355 HydrophobicContact CD1-CB 4.27Å; L110-W355 HydrophobicContact CD1-CG 4.26Å
111	I	98.8	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-45.4	171.6	-58.7	170.8	0	0	0	109.6	M105 T108 K113 A114 C115 F130 F188 L215 L217	M105-I111 HydrophobicContact CE-CD1 4.33Å; T108-I111 WeakPolarHBondContact O-CB 3.2Å; T108-I111 PolarHBondContact O-N 2.8Å; I111-K113 VanDerWaalsContact C-N 3.27Å; I111-K113 PolarHBondContact O-N 2.8Å; I111-A114 CarbonylContact O-C 3.55Å; I111-A114 WeakPolarHBondContact O-CA 3.34Å; I111-A114 WeakPolarHBondContact O-CB 3.44Å; I111-A114 PolarHBondContact O-N 2.81Å; I111-C115 PolarHBondContact O-N 3.45Å; I111-C115 PolarHBondContact O-SG 3Å; I111-F130 HydrophobicContact CD1-CD1 4.13Å; I111-F130 HydrophobicContact CD1-CD2 3.91Å; I111-F130 HydrophobicContact CD1-CE1 3.81Å; I111-F130 HydrophobicContact CD1-CE2 3.56Å; I111-F130 HydrophobicContact CD1-CG 4.18Å; I111-F130 HydrophobicContact CD1-CZ 3.53Å; I111-F130 HydrophobicContact CG1-CB 4.43Å; I111-F130 HydrophobicContact CG1-CD1 4.03Å; I111-F130 HydrophobicContact CG1-CD2 3.71Å; I111-F130 HydrophobicContact CG1-CE1 4.25Å; I111-F130 HydrophobicContact CG1-CE2 3.94Å; I111-F130 HydrophobicContact CG1-CG 3.76Å; I111-F130 HydrophobicContact CG1-CZ 4.21Å; I111-F188 HydrophobicContact CB-CD1 4.38Å; I111-F188 HydrophobicContact CB-CE1 4.48Å; I111-F188 HydrophobicContact CD1-CD2 4.37Å; I111-F188 HydrophobicContact CD1-CE2 4.15Å; I111-F188 HydrophobicContact CD1-CZ 4.43Å; I111-F188 HydrophobicContact CG2-CB 3.77Å; I111-F188 HydrophobicContact CG2-CD1 3.48Å; I111-F188 VanDerWaalsContact CG2-CD1 3.48Å; I111-F188 HydrophobicContact CG2-CD2 3.94Å; I111-F188 HydrophobicContact CG2-CE1 4.03Å; I111-F188 HydrophobicContact CG2-CE2 4.45Å; I111-F188 HydrophobicContact CG2-CG 3.45Å; I111-F188 VanDerWaalsContact CG2-CG 3.45Å; I111-F188 HydrophobicContact CG2-CZ 4.49Å; I111-L215 HydrophobicContact CD1-CD1 3.98Å; I111-L215 HydrophobicContact CG1-CD1 4.3Å; I111-L215 HydrophobicContact CG1-CD2 4.28Å; I111-L215 HydrophobicContact CG2-CD1 3.91Å; I111-L215 HydrophobicContact CG2-CD2 4.46Å; I111-L217 HydrophobicContact CG2-CD2 4.01Å
112	N	98.1	Very high	98.3	Very high	55 Å²	55	36.8 Å²	36.8	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-40.3	177.6	-65.3	-21.6	0	0	0	111.2	T108 Y109 C115 S116 Q161 F188	T108-N112 PolarHBondContact O-N 2.83Å; Y109-N112 PolarHBondContact O-N 2.87Å; N112-C115 WeakPolarHBondContact O-CB 3.48Å; N112-C115 PolarHBondContact O-N 2.85Å; N112-S116 PolarHBondContact O-N 2.85Å; N112-Q161 PolarHBondContact ND2-O 3.26Å; N112-F188 WeakPolarHBondContact OD1-CE1 3.5Å
113	K	98.5	Very high	98.3	Very high	86 Å²	86	37.4 Å²	37.4	37%	0.374	20%	0.199	S	C	.	.	H	α-helix	trans	-58.2	-51.4	171	-176	179.6	177.2	-176.4	0	110.7	Y109 I111 C115 S116 L117	Y109-K113 WeakPolarHBondContact O-CB 3.35Å; Y109-K113 PolarHBondContact O-N 3.32Å; I111-K113 VanDerWaalsContact C-N 3.27Å; I111-K113 PolarHBondContact O-N 2.8Å; K113-C115 VanDerWaalsContact C-N 3.3Å; K113-C115 PolarHBondContact O-N 3.21Å; K113-S116 PolarHBondContact O-N 3.46Å; K113-S116 PolarHBondContact O-OG 3.1Å; K113-L117 HydrophobicContact CG-CD1 4.03Å; K113-L117 HydrophobicContact CG-CG 4.46Å; K113-L117 WeakPolarHBondContact O-CG 3.5Å; K113-L117 PolarHBondContact O-N 2.81Å
114	A	98.6	Very high	98.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.3	-43.8	176	0	0	0	0	0	112.5	L110 I111 S116 L117 R123 V127 L217	L110-A114 PolarHBondContact O-N 2.87Å; I111-A114 CarbonylContact O-C 3.55Å; I111-A114 WeakPolarHBondContact O-CA 3.34Å; I111-A114 WeakPolarHBondContact O-CB 3.44Å; I111-A114 PolarHBondContact O-N 2.81Å; A114-S116 PolarHBondContact O-N 3.06Å; A114-L117 PolarHBondContact O-N 3.04Å; A114-R123 WeakPolarHBondContact O-CD 3.26Å; A114-R123 VanDerWaalsContact O-CG 3.25Å; A114-R123 WeakPolarHBondContact O-CG 3.44Å; A114-V127 HydrophobicContact CB-CG2 4.3Å; A114-L217 HydrophobicContact CB-CD1 3.96Å
115	C	98.2	Very high	98.4	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.054	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-33.4	177.8	-63.7	0	0	0	0	112.7	I111 N112 K113 D187 H220	I111-C115 PolarHBondContact O-N 3.45Å; I111-C115 PolarHBondContact O-SG 3Å; N112-C115 WeakPolarHBondContact O-CB 3.48Å; N112-C115 PolarHBondContact O-N 2.85Å; K113-C115 VanDerWaalsContact C-N 3.3Å; K113-C115 PolarHBondContact O-N 3.21Å; C115-D187 HydrophobicContact CB-CB 4.3Å; C115-H220 PolarHBondContact O-NE2 3.27Å
116	S	97.9	Very high	98.4	Very high	83 Å²	83	37.9 Å²	37.9	58%	0.58	20%	0.202	S	C	*	.	H	α-helix	trans	-81.6	-18.7	-179.5	73.3	0	0	0	0	115.2	N112 K113 A114	N112-S116 PolarHBondContact O-N 2.85Å; K113-S116 PolarHBondContact O-N 3.46Å; K113-S116 PolarHBondContact O-OG 3.1Å; A114-S116 PolarHBondContact O-N 3.06Å
117	L	98.4	Very high	98.4	Very high	31 Å²	31	36.6 Å²	36.6	16%	0.162	20%	0.196	C	C	.	.			trans	-83.6	141.1	-173.4	-67.3	165.8	0	0	0	111.8	K113 A114 E122 R123 S126 H220	K113-L117 HydrophobicContact CG-CD1 4.03Å; K113-L117 HydrophobicContact CG-CG 4.46Å; K113-L117 WeakPolarHBondContact O-CG 3.5Å; K113-L117 PolarHBondContact O-N 2.81Å; A114-L117 PolarHBondContact O-N 3.04Å; L117-E122 HydrophobicContact CB-CB 4.45Å; L117-E122 HydrophobicContact CD1-CB 3.93Å; L117-E122 WeakPolarHBondContact CD1-O 3.21Å; L117-E122 HydrophobicContact CD2-CB 4.42Å; L117-E122 WeakPolarHBondContact CD2-OE2 3.35Å; L117-E122 HydrophobicContact CG-CB 4.49Å; L117-R123 HydrophobicContact CB-CG 3.81Å; L117-R123 PolarHBondContact O-NH1 2.84Å; L117-S126 WeakPolarHBondContact CD1-OG 3.41Å; L117-H220 PolarHBondContact O-CE1 2.76Å; L117-H220 PolarHBondContact O-NE2 3.14Å
118	S	97.8	Very high	98.4	Very high	112 Å²	112	36.1 Å²	36.1	78%	0.783	19%	0.194	S	C	*	.	S	Bend	trans	-90.7	-31.7	-178.4	-59.9	0	0	0	0	113.1	R123	S118-R123 PolarHBondContact O-NH1 3Å
119	D	98.1	Very high	98.5	Very high	78 Å²	78	36.1 Å²	36.1	42%	0.417	19%	0.194	S	C	.	.	S	Bend	trans	-82.4	129.6	178.2	-172.5	-58.1	0	0	0	110.9	I121 E122 R123	D119-I121 VanDerWaalsContact C-N 3.3Å; D119-I121 PolarHBondContact O-N 2.93Å; D119-I121 WeakPolarHBondContact OD1-CA 3.27Å; D119-I121 VanDerWaalsContact OD1-CB 3.22Å; D119-I121 WeakPolarHBondContact OD1-CB 3.49Å; D119-I121 PolarHBondContact OD1-N 2.97Å; D119-E122 HydrophobicContact CB-CB 4.15Å; D119-E122 HydrophobicContact CB-CG 3.87Å; D119-E122 PolarHBondContact O-N 3.28Å; D119-E122 PolarHBondContact OD1-N 2.84Å; D119-R123 WeakPolarHBondContact O-CG 3.33Å; D119-R123 PolarHBondContact O-N 3Å
120	S	98.2	Very high	98.5	Very high	27 Å²	27	30.6 Å²	30.6	19%	0.189	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-28.9	-178.3	53.2	0	0	0	0	113.5	R123 M124 E258	S120-R123 PolarHBondContact O-N 2.91Å; S120-M124 WeakPolarHBondContact O-CB 3.45Å; S120-M124 PolarHBondContact O-N 2.84Å; S120-E258 WeakPolarHBondContact CB-OE1 3.3Å; S120-E258 WeakPolarHBondContact CB-OE2 3.4Å; S120-E258 PolarHBondContact OG-OE1 2.82Å
121	I	98.1	Very high	98.5	Very high	24 Å²	24	30.7 Å²	30.7	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-73.9	-41.9	176.1	-54.5	-57.6	0	0	0	110.6	D119 R123 M124 Q125 E258 I281 L289	D119-I121 VanDerWaalsContact C-N 3.3Å; D119-I121 PolarHBondContact O-N 2.93Å; D119-I121 WeakPolarHBondContact OD1-CA 3.27Å; D119-I121 VanDerWaalsContact OD1-CB 3.22Å; D119-I121 WeakPolarHBondContact OD1-CB 3.49Å; D119-I121 PolarHBondContact OD1-N 2.97Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.89Å; I121-M124 PolarHBondContact O-N 3.02Å; I121-Q125 WeakPolarHBondContact O-CG 3.28Å; I121-Q125 PolarHBondContact O-N 2.99Å; I121-E258 VanDerWaalsContact CD1-CD 3.48Å; I121-E258 HydrophobicContact CD1-CG 3.91Å; I121-E258 WeakPolarHBondContact CD1-OE1 3.19Å; I121-I281 HydrophobicContact CD1-CG2 4.14Å; I121-I281 HydrophobicContact CG2-CD1 4.47Å; I121-I281 HydrophobicContact CG2-CG2 4.37Å; I121-L289 HydrophobicContact CD1-CD1 3.34Å; I121-L289 HydrophobicContact CG1-CD1 3.84Å
122	E	98.4	Very high	98.5	Very high	88 Å²	88	30.7 Å²	30.7	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-64.5	-36	173.6	-62.8	-176	161.7	0	0	111.4	L117 D119 Q125 S126	L117-E122 HydrophobicContact CB-CB 4.45Å; L117-E122 HydrophobicContact CD1-CB 3.93Å; L117-E122 WeakPolarHBondContact CD1-O 3.21Å; L117-E122 HydrophobicContact CD2-CB 4.42Å; L117-E122 WeakPolarHBondContact CD2-OE2 3.35Å; L117-E122 HydrophobicContact CG-CB 4.49Å; D119-E122 HydrophobicContact CB-CB 4.15Å; D119-E122 HydrophobicContact CB-CG 3.87Å; D119-E122 PolarHBondContact O-N 3.28Å; D119-E122 PolarHBondContact OD1-N 2.84Å; E122-Q125 PolarHBondContact O-N 3.05Å; E122-S126 PolarHBondContact O-N 2.91Å; E122-S126 VanDerWaalsContact O-N 3.1Å; E122-S126 PolarHBondContact O-OG 3.02Å; E122-S126 VanDerWaalsContact O-OG 3.06Å
123	R	98.8	Very high	98.5	Very high	14 Å²	14	28.1 Å²	28.1	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-50.2	169.4	-70.9	-163.1	-62.6	-80.9	-0.2	111.4	A114 L117 S118 D119 S120 I121 Q125 S126 V127 E222	A114-R123 WeakPolarHBondContact O-CD 3.26Å; A114-R123 VanDerWaalsContact O-CG 3.25Å; A114-R123 WeakPolarHBondContact O-CG 3.44Å; L117-R123 HydrophobicContact CB-CG 3.81Å; L117-R123 PolarHBondContact O-NH1 2.84Å; S118-R123 PolarHBondContact O-NH1 3Å; D119-R123 WeakPolarHBondContact O-CG 3.33Å; D119-R123 PolarHBondContact O-N 3Å; S120-R123 PolarHBondContact O-N 2.91Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.89Å; R123-Q125 VanDerWaalsContact C-N 3.28Å; R123-Q125 PolarHBondContact O-N 3.17Å; R123-S126 CarbonylContact O-C 3.59Å; R123-S126 WeakPolarHBondContact O-CA 3.16Å; R123-S126 WeakPolarHBondContact O-CB 3.48Å; R123-S126 PolarHBondContact O-N 3.11Å; R123-V127 WeakPolarHBondContact O-CG2 3.44Å; R123-V127 PolarHBondContact O-N 3.36Å; R123-E222 IonicContact CZ-OE1 3.26Å; R123-E222 IonicContact CZ-OE2 3.06Å; R123-E222 IonicContact NE-OE1 2.8Å; R123-E222 IonicContact NE-OE2 2.81Å; R123-E222 PolarHBondContact NE-OE2 3.36Å; R123-E222 IonicContact NH2-OE1 3.69Å; R123-E222 PolarHBondContact NH2-OE1 3.32Å; R123-E222 IonicContact NH2-OE2 3.88Å; R123-E222 PolarHBondContact NH2-OE2 2.99Å
124	M	98.8	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-38.2	177.2	-178.3	63.6	80.3	0	0	112.3	S120 I121 S126 V127 A128 Y224 I251 N253 E258 C260 I281	S120-M124 WeakPolarHBondContact O-CB 3.45Å; S120-M124 PolarHBondContact O-N 2.84Å; I121-M124 PolarHBondContact O-N 3.02Å; M124-S126 VanDerWaalsContact C-N 3.35Å; M124-S126 PolarHBondContact O-N 3.33Å; M124-V127 PolarHBondContact O-N 3.3Å; M124-A128 VanDerWaalsContact O-CB 3.27Å; M124-A128 WeakPolarHBondContact O-CB 3.5Å; M124-A128 PolarHBondContact O-N 2.82Å; M124-Y224 HydrophobicContact CE-CD1 3.98Å; M124-Y224 HydrophobicContact CE-CE1 3.84Å; M124-Y224 HydrophobicContact SD-CD1 4.21Å; M124-Y224 HydrophobicContact SD-CE1 4.15Å; M124-I251 HydrophobicContact SD-CB 4.28Å; M124-I251 HydrophobicContact SD-CG2 3.96Å; M124-N253 HydrophobicContact CE-CB 3.61Å; M124-E258 HydrophobicContact CE-CB 3.97Å; M124-C260 HydrophobicContact CG-CB 3.91Å; M124-C260 HydrophobicContact SD-CB 3.66Å; M124-I281 HydrophobicContact CB-CD1 4.12Å; M124-I281 HydrophobicContact CB-CG2 4.45Å; M124-I281 HydrophobicContact CG-CD1 3.76Å; M124-I281 HydrophobicContact CG-CG1 3.89Å; M124-I281 HydrophobicContact CG-CG2 3.87Å
125	Q	98.8	Very high	98.3	Very high	30 Å²	30	24.6 Å²	24.6	14%	0.14	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-42.9	172.7	-73.4	174.5	-14.6	0	0	112	I121 E122 R123 A128 A129 I281 C290 S302 L354	I121-Q125 WeakPolarHBondContact O-CG 3.28Å; I121-Q125 PolarHBondContact O-N 2.99Å; E122-Q125 PolarHBondContact O-N 3.05Å; R123-Q125 VanDerWaalsContact C-N 3.28Å; R123-Q125 PolarHBondContact O-N 3.17Å; Q125-A128 PolarHBondContact O-N 3.47Å; Q125-A129 WeakPolarHBondContact O-CB 3.35Å; Q125-A129 PolarHBondContact O-N 3.31Å; Q125-I281 HydrophobicContact CB-CD1 4.25Å; Q125-I281 HydrophobicContact CG-CD1 3.41Å; Q125-I281 VanDerWaalsContact CG-CD1 3.41Å; Q125-C290 PolarHBondContact NE2-SG 3.37Å; Q125-S302 PolarHBondContact NE2-OG 2.97Å; Q125-L354 HydrophobicContact CB-CD1 3.98Å; Q125-L354 HydrophobicContact CB-CD2 4Å; Q125-L354 HydrophobicContact CG-CD1 4.32Å
126	S	98.8	Very high	98.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-39	178.3	-58.4	0	0	0	0	112.1	L117 E122 R123 M124 A129 F130	L117-S126 WeakPolarHBondContact CD1-OG 3.41Å; E122-S126 PolarHBondContact O-N 2.91Å; E122-S126 VanDerWaalsContact O-N 3.1Å; E122-S126 PolarHBondContact O-OG 3.02Å; E122-S126 VanDerWaalsContact O-OG 3.06Å; R123-S126 CarbonylContact O-C 3.59Å; R123-S126 WeakPolarHBondContact O-CA 3.16Å; R123-S126 WeakPolarHBondContact O-CB 3.48Å; R123-S126 PolarHBondContact O-N 3.11Å; M124-S126 VanDerWaalsContact C-N 3.35Å; M124-S126 PolarHBondContact O-N 3.33Å; S126-A129 WeakPolarHBondContact O-CB 3.47Å; S126-A129 PolarHBondContact O-N 2.91Å; S126-F130 WeakPolarHBondContact O-CB 3.35Å; S126-F130 PolarHBondContact O-N 3.14Å
127	V	98.9	Very high	98	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-42	173.7	176.3	0	0	0	0	111.2	A114 R123 M124 A129 F130 A131 L215 Y224 W226 I251	A114-V127 HydrophobicContact CB-CG2 4.3Å; R123-V127 WeakPolarHBondContact O-CG2 3.44Å; R123-V127 PolarHBondContact O-N 3.36Å; M124-V127 PolarHBondContact O-N 3.3Å; V127-A129 VanDerWaalsContact C-N 3.31Å; V127-A129 PolarHBondContact O-N 3.05Å; V127-F130 WeakPolarHBondContact O-CB 3.48Å; V127-F130 PolarHBondContact O-N 3.29Å; V127-A131 PolarHBondContact O-N 3.46Å; V127-L215 HydrophobicContact CG1-CD2 4.07Å; V127-L215 HydrophobicContact CG2-CD2 3.87Å; V127-Y224 HydrophobicContact CB-CD1 4.39Å; V127-Y224 HydrophobicContact CG1-CD1 4.03Å; V127-Y224 HydrophobicContact CG1-CG 4.09Å; V127-Y224 HydrophobicContact CG2-CD1 4.22Å; V127-Y224 HydrophobicContact CG2-CD2 4.31Å; V127-Y224 HydrophobicContact CG2-CE1 4.1Å; V127-Y224 HydrophobicContact CG2-CE2 4.22Å; V127-Y224 HydrophobicContact CG2-CG 4.31Å; V127-W226 HydrophobicContact CG1-CZ3 4.32Å; V127-I251 HydrophobicContact CG1-CG2 3.91Å
128	A	98.8	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-40.9	173.9	0	0	0	0	0	112	M124 Q125 F130 A131 V132 I251 L262 I292 M300	M124-A128 VanDerWaalsContact O-CB 3.27Å; M124-A128 WeakPolarHBondContact O-CB 3.5Å; M124-A128 PolarHBondContact O-N 2.82Å; Q125-A128 PolarHBondContact O-N 3.47Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-A131 PolarHBondContact O-N 3.17Å; A128-V132 WeakPolarHBondContact O-CG2 3.47Å; A128-V132 PolarHBondContact O-N 3.04Å; A128-V132 VanDerWaalsContact O-N 3.11Å; A128-I251 HydrophobicContact CB-CD1 3.95Å; A128-L262 HydrophobicContact CB-CD1 4.32Å; A128-I292 HydrophobicContact CB-CD1 3.84Å; A128-M300 HydrophobicContact CB-CE 4.11Å
129	A	98.8	Very high	97.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-43.3	176.5	0	0	0	0	0	110.7	L110 Q125 S126 V127 V132 S133 M300 L354 W355	L110-A129 HydrophobicContact CD1-CB 4.06Å; L110-A129 HydrophobicContact CD2-CB 4.14Å; Q125-A129 WeakPolarHBondContact O-CB 3.35Å; Q125-A129 PolarHBondContact O-N 3.31Å; S126-A129 WeakPolarHBondContact O-CB 3.47Å; S126-A129 PolarHBondContact O-N 2.91Å; V127-A129 VanDerWaalsContact C-N 3.31Å; V127-A129 PolarHBondContact O-N 3.05Å; A129-V132 PolarHBondContact O-N 3.17Å; A129-S133 VanDerWaalsContact O-CB 3.25Å; A129-S133 WeakPolarHBondContact O-CB 3.37Å; A129-S133 PolarHBondContact O-N 3.08Å; A129-S133 PolarHBondContact O-OG 3.22Å; A129-M300 HydrophobicContact CB-CE 3.61Å; A129-M300 VanDerWaalsContact N-CE 3.28Å; A129-L354 HydrophobicContact CB-CB 4.05Å; A129-W355 HydrophobicContact CB-CB 3.99Å
130	F	98.9	Very high	96.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.5	-50.1	175.4	175.1	-103.9	0	0	0	111.4	Y104 M105 L110 I111 S126 V127 A128 V132 S133 A134 F190 W226	Y104-F130 WeakPolarHBondContact O-CE2 3.46Å; Y104-F130 WeakPolarHBondContact O-CZ 3.48Å; M105-F130 HydrophobicContact SD-CZ 4.2Å; L110-F130 HydrophobicContact CB-CB 3.95Å; L110-F130 HydrophobicContact CD1-CB 4.35Å; I111-F130 HydrophobicContact CD1-CD1 4.13Å; I111-F130 HydrophobicContact CD1-CD2 3.91Å; I111-F130 HydrophobicContact CD1-CE1 3.81Å; I111-F130 HydrophobicContact CD1-CE2 3.56Å; I111-F130 HydrophobicContact CD1-CG 4.18Å; I111-F130 HydrophobicContact CD1-CZ 3.53Å; I111-F130 HydrophobicContact CG1-CB 4.43Å; I111-F130 HydrophobicContact CG1-CD1 4.03Å; I111-F130 HydrophobicContact CG1-CD2 3.71Å; I111-F130 HydrophobicContact CG1-CE1 4.25Å; I111-F130 HydrophobicContact CG1-CE2 3.94Å; I111-F130 HydrophobicContact CG1-CG 3.76Å; I111-F130 HydrophobicContact CG1-CZ 4.21Å; S126-F130 WeakPolarHBondContact O-CB 3.35Å; S126-F130 PolarHBondContact O-N 3.14Å; V127-F130 WeakPolarHBondContact O-CB 3.48Å; V127-F130 PolarHBondContact O-N 3.29Å; A128-F130 VanDerWaalsContact C-N 3.33Å; F130-V132 VanDerWaalsContact C-N 3.33Å; F130-V132 PolarHBondContact O-N 3.42Å; F130-S133 WeakPolarHBondContact CA-OG 3.25Å; F130-S133 PolarHBondContact O-N 3.38Å; F130-S133 VanDerWaalsContact O-N 3.11Å; F130-S133 PolarHBondContact O-OG 3.21Å; F130-A134 WeakPolarHBondContact O-CB 3.45Å; F130-A134 PolarHBondContact O-N 3.2Å; F130-F190 HydrophobicContact CE1-CD2 4Å; F130-F190 HydrophobicContact CE1-CE1 4.47Å; F130-F190 AromaticContact CE1-CE2 3.57Å; F130-F190 HydrophobicContact CE1-CE2 3.57Å; F130-F190 AromaticContact CE1-CZ 3.84Å; F130-F190 HydrophobicContact CE1-CZ 3.84Å; F130-F190 HydrophobicContact CZ-CD2 4.45Å; F130-F190 HydrophobicContact CZ-CE1 4.24Å; F130-F190 HydrophobicContact CZ-CE2 4.13Å; F130-F190 HydrophobicContact CZ-CZ 4.01Å; F130-W226 HydrophobicContact CD1-CH2 4.14Å; F130-W226 HydrophobicContact CD1-CZ2 4.24Å; F130-W226 HydrophobicContact CE1-CH2 4.14Å; F130-W226 HydrophobicContact CE1-CZ2 4.16Å
131	A	98.7	Very high	96.4	Very high	4 Å²	4	14 Å²	14	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-58.1	-40.8	-179.9	0	0	0	0	0	113.1	V127 A128 W226 I251	V127-A131 PolarHBondContact O-N 3.46Å; A128-A131 PolarHBondContact O-N 3.17Å; A131-W226 HydrophobicContact CB-CD2 4.48Å; A131-W226 HydrophobicContact CB-CZ2 4.09Å; A131-I251 HydrophobicContact CB-CD1 3.78Å
132	V	98.6	Very high	95.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-44.2	174.1	175.9	0	0	0	0	111.3	A128 A129 F130 A134 V135 A136 L262 F264 V277 W296 M300 W355	A128-V132 WeakPolarHBondContact O-CG2 3.47Å; A128-V132 PolarHBondContact O-N 3.04Å; A128-V132 VanDerWaalsContact O-N 3.11Å; A129-V132 PolarHBondContact O-N 3.17Å; F130-V132 VanDerWaalsContact C-N 3.33Å; F130-V132 PolarHBondContact O-N 3.42Å; V132-A134 VanDerWaalsContact C-N 3.28Å; V132-A134 PolarHBondContact O-N 2.71Å; V132-V135 VanDerWaalsContact O-CG2 3.28Å; V132-V135 WeakPolarHBondContact O-CG2 3.32Å; V132-V135 PolarHBondContact O-N 2.67Å; V132-A136 PolarHBondContact O-N 3.13Å; V132-L262 HydrophobicContact CG2-CD1 3.77Å; V132-F264 HydrophobicContact CG2-CZ 3.97Å; V132-V277 HydrophobicContact CG2-CG1 4.39Å; V132-W296 HydrophobicContact CG1-CB 3.9Å; V132-M300 HydrophobicContact CB-SD 4.04Å; V132-M300 HydrophobicContact CG1-SD 4.48Å; V132-M300 HydrophobicContact CG2-SD 3.65Å; V132-W355 HydrophobicContact CG1-CE3 4.47Å; V132-W355 HydrophobicContact CG1-CZ3 4.14Å
133	S	98.3	Very high	95.3	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-64.8	-31.3	-178.4	75.6	0	0	0	0	113.3	H107 A129 F130 V135 A136	H107-S133 WeakPolarHBondContact CB-OG 3.39Å; A129-S133 VanDerWaalsContact O-CB 3.25Å; A129-S133 WeakPolarHBondContact O-CB 3.37Å; A129-S133 PolarHBondContact O-N 3.08Å; A129-S133 PolarHBondContact O-OG 3.22Å; F130-S133 WeakPolarHBondContact CA-OG 3.25Å; F130-S133 PolarHBondContact O-N 3.38Å; F130-S133 VanDerWaalsContact O-N 3.11Å; F130-S133 PolarHBondContact O-OG 3.21Å; S133-V135 PolarHBondContact O-N 3.12Å; S133-A136 VanDerWaalsContact O-CB 3.3Å; S133-A136 WeakPolarHBondContact O-CB 3.48Å; S133-A136 PolarHBondContact O-N 3.35Å; S133-A136 VanDerWaalsContact O-N 3.1Å
134	A	97.7	Very high	94.8	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.025	7%	0.065	C	C	.	.	H	α-helix	trans	-61.3	-29.2	-180	0	0	0	0	0	112.2	Y104 F130 V132	Y104-A134 HydrophobicContact CD1-CB 3.94Å; Y104-A134 VanDerWaalsContact CD1-O 3.23Å; Y104-A134 WeakPolarHBondContact CD1-O 3.37Å; Y104-A134 HydrophobicContact CG-CB 4.1Å; F130-A134 WeakPolarHBondContact O-CB 3.45Å; F130-A134 PolarHBondContact O-N 3.2Å; V132-A134 VanDerWaalsContact C-N 3.28Å; V132-A134 PolarHBondContact O-N 2.71Å
135	V	95.6	Very high	94.6	Very high	8 Å²	8	13.9 Å²	13.9	5%	0.048	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	6.6	179.3	-61	0	0	0	0	112.8	Y104 V132 S133 Q138 P229 Q245 F264	Y104-V135 HydrophobicContact CE1-CG1 4.23Å; V132-V135 VanDerWaalsContact O-CG2 3.28Å; V132-V135 WeakPolarHBondContact O-CG2 3.32Å; V132-V135 PolarHBondContact O-N 2.67Å; S133-V135 PolarHBondContact O-N 3.12Å; V135-Q138 VanDerWaalsContact O-CG 3.23Å; V135-Q138 WeakPolarHBondContact O-CG 3.27Å; V135-P229 HydrophobicContact CG2-CG 4.33Å; V135-Q245 VanDerWaalsContact CB-OE1 3.3Å; V135-Q245 PolarHBondContact O-NE2 2.86Å; V135-F264 HydrophobicContact CG2-CE1 4.2Å; V135-F264 HydrophobicContact CG2-CZ 4.36Å
136	A	95.5	Very high	94.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-73.1	-32.2	-175.9	0	0	0	0	0	113.6	V132 S133 Q138 W296 W355 I357	V132-A136 PolarHBondContact O-N 3.13Å; S133-A136 VanDerWaalsContact O-CB 3.3Å; S133-A136 WeakPolarHBondContact O-CB 3.48Å; S133-A136 PolarHBondContact O-N 3.35Å; S133-A136 VanDerWaalsContact O-N 3.1Å; A136-Q138 PolarHBondContact O-N 3.44Å; A136-W296 VanDerWaalsContact CB-O 3.26Å; A136-W296 WeakPolarHBondContact CB-O 3.36Å; A136-W355 HydrophobicContact CB-CH2 3.6Å; A136-W355 HydrophobicContact CB-CZ2 3.54Å; A136-I357 HydrophobicContact CB-CD1 4Å
137	S	93.6	Very high	94.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-65.1	-10.7	-175.8	76.6	0	0	0	0	113.9	E103 W139 R141 R360	E103-S137 WeakPolarHBondContact OE2-CB 3.23Å; E103-S137 PolarHBondContact OE2-OG 3.19Å; S137-W139 VanDerWaalsContact C-N 3.35Å; S137-W139 PolarHBondContact O-N 2.87Å; S137-R141 WeakPolarHBondContact O-CG 3.28Å; S137-R360 PolarHBondContact O-NH2 2.59Å
138	Q	89.9	Confident	94.1	Very high	28 Å²	28	14.8 Å²	14.8	13%	0.131	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-74.8	-19.8	-174.1	-48.3	-58.1	-65	0	0	113.7	R100 V135 A136 D140 R141 I243	R100-Q138 VanDerWaalsContact NH1-CD 3.29Å; V135-Q138 VanDerWaalsContact O-CG 3.23Å; V135-Q138 WeakPolarHBondContact O-CG 3.27Å; A136-Q138 PolarHBondContact O-N 3.44Å; Q138-D140 PolarHBondContact O-N 3Å; Q138-R141 WeakPolarHBondContact O-CB 3.41Å; Q138-R141 PolarHBondContact O-N 2.95Å; Q138-I243 HydrophobicContact CB-CG2 4.47Å; Q138-I243 WeakPolarHBondContact O-CD1 3.41Å
139	W	89.1	Confident	94	Very high	38 Å²	38	15 Å²	15	14%	0.144	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	137.1	179.5	177	-117.9	0	0	0	111.4	S137 R141 I243 H275 W296 T297 M338 R360	S137-W139 VanDerWaalsContact C-N 3.35Å; S137-W139 PolarHBondContact O-N 2.87Å; W139-R141 PolarHBondContact O-N 2.89Å; W139-I243 WeakPolarHBondContact CZ3-O 3.34Å; W139-H275 AromaticContact CD2-CE1 3.96Å; W139-H275 AromaticContact CE3-CE1 3.4Å; W139-H275 AromaticContact CE3-NE2 3.6Å; W139-H275 AromaticContact CH2-CE1 3.56Å; W139-H275 AromaticContact CZ3-CE1 3.19Å; W139-H275 WeakPolarHBondContact CZ3-CE1 3.45Å; W139-H275 AromaticContact CZ3-NE2 3.3Å; W139-H275 VanDerWaalsContact CZ3-NE2 3.3Å; W139-H275 WeakPolarHBondContact CZ3-NE2 3.26Å; W139-W296 HydrophobicContact CB-CH2 3.96Å; W139-W296 HydrophobicContact CB-CZ3 3.8Å; W139-W296 HydrophobicContact CE3-CH2 4.18Å; W139-T297 HydrophobicContact CB-CG2 3.82Å; W139-T297 HydrophobicContact CD2-CG2 4.06Å; W139-T297 HydrophobicContact CE3-CG2 4.32Å; W139-T297 HydrophobicContact CG-CG2 3.81Å; W139-M338 HydrophobicContact CH2-CE 3.75Å; W139-M338 HydrophobicContact CZ3-CE 4.37Å; W139-R360 PolarHBondContact O-NH1 2.86Å; W139-R360 PolarHBondContact O-NH2 3.28Å
140	D	87.7	Confident	93.9	Very high	47 Å²	47	16 Å²	16	25%	0.251	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	3.8	-172.9	-63	-42.9	0	0	0	117.2	Q138 T142 N369	Q138-D140 PolarHBondContact O-N 3Å; D140-T142 VanDerWaalsContact C-N 3.3Å; D140-T142 PolarHBondContact O-N 2.84Å; D140-T142 VanDerWaalsContact O-N 3.14Å; D140-N369 HydrophobicContact CB-CB 4.14Å; D140-N369 PolarHBondContact O-ND2 3.24Å
141	R	91.6	Very high	93.9	Very high	3 Å²	3	16 Å²	16	1%	0.011	8%	0.084	C	C	.	.			trans	-89.6	60.9	177.4	-74.1	-78.4	-67	-78.7	2.7	111.4	E93 R100 E103 S137 Q138 W139 G143 I243 Y368 N369 F370	E93-R141 VanDerWaalsContact CD-NH2 3.27Å; E93-R141 IonicContact OE1-CZ 2.68Å; E93-R141 IonicContact OE1-NE 3.78Å; E93-R141 IonicContact OE1-NH2 3.85Å; E93-R141 PolarHBondContact OE1-NH2 2.74Å; E93-R141 IonicContact OE2-CZ 3.16Å; E93-R141 IonicContact OE2-NE 3.68Å; E93-R141 PolarHBondContact OE2-NE 2.94Å; E93-R141 IonicContact OE2-NH2 3.17Å; E93-R141 PolarHBondContact OE2-NH2 3.45Å; R100-R141 VanDerWaalsContact CZ-NH2 3.33Å; R100-R141 VanDerWaalsContact NE-NH2 3.13Å; E103-R141 IonicContact OE1-CZ 3.36Å; E103-R141 IonicContact OE1-NH1 3.16Å; E103-R141 PolarHBondContact OE1-NH1 3.47Å; E103-R141 VanDerWaalsContact OE1-NH1 3.14Å; E103-R141 IonicContact OE1-NH2 2.68Å; E103-R141 PolarHBondContact OE1-NH2 2.86Å; E103-R141 IonicContact OE2-CZ 3.45Å; E103-R141 IonicContact OE2-NH1 2.75Å; E103-R141 PolarHBondContact OE2-NH1 2.58Å; E103-R141 IonicContact OE2-NH2 2.74Å; S137-R141 WeakPolarHBondContact O-CG 3.28Å; Q138-R141 WeakPolarHBondContact O-CB 3.41Å; Q138-R141 PolarHBondContact O-N 2.95Å; W139-R141 PolarHBondContact O-N 2.89Å; R141-G143 PolarHBondContact O-N 2.7Å; R141-I243 VanDerWaalsContact C-CD1 3.46Å; R141-I243 VanDerWaalsContact O-CD1 3.25Å; R141-I243 WeakPolarHBondContact O-CD1 3.18Å; R141-Y368 WeakPolarHBondContact CD-O 3.1Å; R141-N369 WeakPolarHBondContact CD-O 2.9Å; R141-F370 VanDerWaalsContact NE-CD1 3.26Å; R141-F370 VanDerWaalsContact NE-CE1 3.26Å
142	T	86.9	Confident	93.9	Very high	33 Å²	33	15.9 Å²	15.9	20%	0.202	8%	0.083	C	C	.	.			trans	-74.3	-1.2	-176.7	55.5	0	0	0	0	114.2	R65 D140 L241 I243	R65-T142 PolarHBondContact NH1-OG1 3.17Å; D140-T142 VanDerWaalsContact C-N 3.3Å; D140-T142 PolarHBondContact O-N 2.84Å; D140-T142 VanDerWaalsContact O-N 3.14Å; T142-L241 HydrophobicContact CG2-CB 3.77Å; T142-I243 HydrophobicContact CG2-CD1 4.21Å; T142-I243 HydrophobicContact CG2-CG1 4.24Å
143	G	87.8	Confident	93.9	Very high	5 Å²	5	15.9 Å²	15.9	5%	0.052	8%	0.083	C	C	.	.	S	Bend	trans	-74.7	135.8	172.6	0	0	0	0	0	111.9	F91 R100 R141	F91-G143 WeakPolarHBondContact O-CA 3.38Å; R100-G143 PolarHBondContact NH2-O 2.9Å; R141-G143 PolarHBondContact O-N 2.7Å
144	K	88.5	Confident	93.9	Very high	64 Å²	64	15.8 Å²	15.8	28%	0.278	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.4	173.6	-173	-173.7	171.1	-180	0	109.1	M87 F91 N92 E93	M87-K144 HydrophobicContact CB-CD 4.13Å; M87-K144 HydrophobicContact CG-CD 3.74Å; F91-K144 PolarHBondContact O-N 2.74Å; N92-K144 CarbonylContact C-O 3.6Å; N92-K144 WeakPolarHBondContact CA-O 3.31Å; N92-K144 WeakPolarHBondContact CB-O 3.29Å; N92-K144 PolarHBondContact ND2-O 2.8Å; E93-K144 PolarHBondContact N-O 3.07Å
145	P	94.2	Very high	94	Very high	23 Å²	23	16.2 Å²	16.2	15%	0.149	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	154.8	169.8	27	-33.1	0	0	0	110.4	N92 L95 F97 R100 N147	N92-P145 PolarHBondContact ND2-O 3.46Å; L95-P145 CarbonylContact O-C 3.49Å; L95-P145 VanDerWaalsContact O-CA 3.3Å; L95-P145 WeakPolarHBondContact O-CA 3.4Å; L95-P145 WeakPolarHBondContact O-CB 3.35Å; F97-P145 HydrophobicContact CB-CB 4.35Å; F97-P145 HydrophobicContact CB-CG 4.28Å; F97-P145 HydrophobicContact CD2-CG 3.8Å; F97-P145 HydrophobicContact CG-CG 4.49Å; R100-P145 HydrophobicContact CB-CB 4.22Å; R100-P145 HydrophobicContact CB-CG 4.3Å; R100-P145 HydrophobicContact CG-CG 4.37Å; P145-N147 PolarHBondContact O-N 3.34Å
146	F	94.8	Very high	94.1	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.4	174.2	-78.4	-107	0	0	0	109.9	I89 N92 E93 L95 F97 P148 D398 I399 M402 K414	I89-F146 HydrophobicContact CD1-CE1 4.03Å; I89-F146 HydrophobicContact CD1-CZ 3.82Å; I89-F146 HydrophobicContact CG1-CE1 4.27Å; I89-F146 HydrophobicContact CG1-CZ 3.81Å; N92-F146 HydrophobicContact CB-CD2 4.1Å; N92-F146 HydrophobicContact CB-CE2 3.66Å; N92-F146 HydrophobicContact CB-CZ 4.06Å; E93-F146 VanDerWaalsContact O-CD2 3.25Å; E93-F146 WeakPolarHBondContact O-CD2 3.3Å; E93-F146 VanDerWaalsContact O-CE2 3.29Å; E93-F146 WeakPolarHBondContact O-CE2 3.41Å; L95-F146 PolarHBondContact O-N 3.05Å; F97-F146 PolarHBondContact N-O 3.47Å; F146-P148 WeakPolarHBondContact O-CD 3.22Å; F146-D398 WeakPolarHBondContact CD1-OD2 2.97Å; F146-D398 HydrophobicContact CE1-CB 4.11Å; F146-D398 WeakPolarHBondContact CE1-OD2 3.49Å; F146-I399 HydrophobicContact CB-CD1 3.9Å; F146-I399 HydrophobicContact CB-CG1 4.1Å; F146-I399 HydrophobicContact CD1-CG1 3.96Å; F146-I399 HydrophobicContact CD2-CD1 4.25Å; F146-I399 HydrophobicContact CD2-CG1 3.77Å; F146-I399 HydrophobicContact CE1-CG1 4.3Å; F146-I399 HydrophobicContact CE2-CG1 4.11Å; F146-I399 HydrophobicContact CG-CD1 4.05Å; F146-I399 HydrophobicContact CG-CG1 3.69Å; F146-I399 HydrophobicContact CZ-CG1 4.36Å; F146-M402 HydrophobicContact CE2-SD 3.44Å; F146-M402 WeakPolarHBondContact CE2-SD 3.41Å; F146-M402 HydrophobicContact CZ-CB 4.41Å; F146-M402 HydrophobicContact CZ-SD 3.53Å; F146-M402 VanDerWaalsContact CZ-SD 3.53Å; F146-K414 HydrophobicContact CE1-CD 4.25Å
147	N	93.6	Very high	94.2	Very high	52 Å²	52	19.7 Å²	19.7	28%	0.278	10%	0.101	S	C	.	.	P	Polyproline II helix	trans	-68.5	120.6	172.1	-168.8	19.9	0	0	0	107.7	P145 H172 R396	P145-N147 PolarHBondContact O-N 3.34Å; N147-H172 PolarHBondContact ND2-CE1 2.99Å; N147-H172 VanDerWaalsContact ND2-CE1 3.33Å; N147-R396 PolarHBondContact O-NH1 2.92Å
148	P	97.1	Very high	94.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-63.8	145.9	-178.2	-20.5	33.5	0	0	0	110.9	F97 L98 F146 E152 Q169	F97-P148 HydrophobicContact CB-CG 3.73Å; L98-P148 HydrophobicContact CD1-CB 4.34Å; L98-P148 HydrophobicContact CD2-CB 4.31Å; L98-P148 HydrophobicContact CD2-CG 3.98Å; L98-P148 HydrophobicContact CG-CB 3.98Å; L98-P148 HydrophobicContact CG-CG 3.78Å; F146-P148 WeakPolarHBondContact O-CD 3.22Å; P148-E152 HydrophobicContact CB-CB 4.16Å; P148-E152 HydrophobicContact CB-CG 4.37Å; P148-Q169 HydrophobicContact CB-CB 3.78Å; P148-Q169 HydrophobicContact CB-CG 3.84Å; P148-Q169 VanDerWaalsContact CG-OE1 3.3Å
149	L	97.1	Very high	94.5	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-71.5	151.3	170.4	-56.6	176.3	0	0	0	109.7	G151 E152 Q169 L417 Q421 I470 Y471	L149-G151 PolarHBondContact O-N 2.93Å; L149-E152 HydrophobicContact CB-CB 4.28Å; L149-E152 PolarHBondContact N-OE2 2.99Å; L149-E152 VanDerWaalsContact N-OE2 3.07Å; L149-E152 WeakPolarHBondContact O-CB 3.38Å; L149-E152 PolarHBondContact O-N 2.85Å; L149-Q169 WeakPolarHBondContact O-CB 3.39Å; L149-Q169 WeakPolarHBondContact O-CG 3.44Å; L149-L417 HydrophobicContact CD1-CB 4.21Å; L149-L417 HydrophobicContact CD1-CD2 4.11Å; L149-L417 HydrophobicContact CD2-CB 4.49Å; L149-Q421 VanDerWaalsContact CA-OE1 3.27Å; L149-Q421 HydrophobicContact CD2-CB 4.42Å; L149-I470 HydrophobicContact CB-CD1 4.49Å; L149-I470 HydrophobicContact CD1-CB 4.33Å; L149-I470 WeakPolarHBondContact CD1-O 3.4Å; L149-Y471 HydrophobicContact CD1-CD1 3.98Å; L149-Y471 HydrophobicContact CD1-CE1 3.98Å
150	L	97.7	Very high	94.7	Very high	20 Å²	20	27.2 Å²	27.2	11%	0.105	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	124.5	174.1	-176.2	65.5	0	0	0	110	E152 H172 W435	L150-E152 VanDerWaalsContact C-N 3.29Å; L150-H172 HydrophobicContact CB-CB 4.3Å; L150-H172 HydrophobicContact CD1-CB 4.44Å; L150-W435 HydrophobicContact CD1-CD2 4.44Å; L150-W435 HydrophobicContact CD1-CG 4.33Å; L150-W435 HydrophobicContact CD2-CB 4.17Å; L150-W435 HydrophobicContact CD2-CD2 3.58Å; L150-W435 HydrophobicContact CD2-CE3 3.92Å; L150-W435 HydrophobicContact CD2-CG 3.67Å; L150-W435 HydrophobicContact CG-CD2 3.81Å; L150-W435 HydrophobicContact CG-CE3 4.33Å; L150-W435 HydrophobicContact CG-CG 4.11Å; L150-W435 HydrophobicContact CG-CH2 4.45Å; L150-W435 HydrophobicContact CG-CZ2 4.01Å
151	G	97.9	Very high	95.1	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-0.1	-173.7	0	0	0	0	0	115.1	L149 Q169 W435	L149-G151 PolarHBondContact O-N 2.93Å; G151-Q169 PolarHBondContact N-O 2.99Å; G151-W435 VanDerWaalsContact CA-CZ2 3.5Å
152	E	98.8	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.			trans	-59.3	139.1	167.5	-174.2	172.7	122.8	0	0	109.7	S96 L98 P148 L149 L150 E168 Q169 C393 R396 I470 Y471	S96-E152 VanDerWaalsContact CB-OE1 3.31Å; S96-E152 WeakPolarHBondContact CB-OE1 3.44Å; S96-E152 PolarHBondContact OG-OE1 3.21Å; L98-E152 HydrophobicContact CD1-CB 4.26Å; L98-E152 HydrophobicContact CD1-CG 3.94Å; L98-E152 WeakPolarHBondContact CD1-O 3.46Å; P148-E152 HydrophobicContact CB-CB 4.16Å; P148-E152 HydrophobicContact CB-CG 4.37Å; L149-E152 HydrophobicContact CB-CB 4.28Å; L149-E152 PolarHBondContact N-OE2 2.99Å; L149-E152 VanDerWaalsContact N-OE2 3.07Å; L149-E152 WeakPolarHBondContact O-CB 3.38Å; L149-E152 PolarHBondContact O-N 2.85Å; L150-E152 VanDerWaalsContact C-N 3.29Å; E152-E168 CarbonylContact O-C 3.59Å; E152-E168 WeakPolarHBondContact O-CA 3.47Å; E152-Q169 HydrophobicContact CB-CB 4.39Å; E152-Q169 PolarHBondContact O-N 2.78Å; E152-C393 HydrophobicContact CG-CB 3.93Å; E152-C393 WeakPolarHBondContact OE1-CB 3.19Å; E152-R396 IonicContact OE1-NH1 3.25Å; E152-R396 WeakPolarHBondContact OE2-CD 3.24Å; E152-R396 IonicContact OE2-CZ 3.39Å; E152-R396 IonicContact OE2-NE 3.36Å; E152-R396 IonicContact OE2-NH1 3.84Å; E152-R396 PolarHBondContact OE2-NH1 3.35Å; E152-I470 VanDerWaalsContact CA-CD1 3.44Å; E152-I470 HydrophobicContact CB-CD1 3.9Å; E152-I470 HydrophobicContact CG-CD1 4.47Å; E152-Y471 WeakPolarHBondContact CG-OH 3.4Å
153	T	98.8	Very high	95.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.7	178.2	59	0	0	0	0	110.7	S167 E168 T391 D392 C393 Y459	T153-S167 CarbonylContact C-O 3.59Å; T153-S167 WeakPolarHBondContact CA-O 3.4Å; T153-E168 HydrophobicContact CG2-CB 4.36Å; T153-E168 HydrophobicContact CG2-CG 4.23Å; T153-T391 PolarHBondContact N-O 2.8Å; T153-T391 WeakPolarHBondContact OG1-CB 3.4Å; T153-T391 PolarHBondContact OG1-O 2.81Å; T153-T391 PolarHBondContact OG1-OG1 2.78Å; T153-D392 CarbonylContact O-C 3.58Å; T153-D392 VanDerWaalsContact O-CA 3.26Å; T153-D392 WeakPolarHBondContact O-CA 3.33Å; T153-D392 PolarHBondContact OG1-N 2.93Å; T153-C393 PolarHBondContact O-N 2.91Å; T153-Y459 HydrophobicContact CG2-CE2 4.36Å
154	F	98.9	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	131.4	165.8	172.8	-106	0	0	0	109.7	L98 Q99 S102 L156 L165 V166 S167 L377 D392 C393	L98-F154 HydrophobicContact CB-CB 3.78Å; L98-F154 HydrophobicContact CD1-CB 4.19Å; Q99-F154 HydrophobicContact CG-CD1 4.04Å; Q99-F154 HydrophobicContact CG-CD2 3.55Å; Q99-F154 HydrophobicContact CG-CE1 3.96Å; Q99-F154 HydrophobicContact CG-CE2 3.44Å; Q99-F154 VanDerWaalsContact CG-CE2 3.44Å; Q99-F154 HydrophobicContact CG-CG 3.83Å; Q99-F154 HydrophobicContact CG-CZ 3.67Å; S102-F154 VanDerWaalsContact OG-CD1 3.27Å; S102-F154 WeakPolarHBondContact OG-CD1 3.39Å; S102-F154 VanDerWaalsContact OG-CE1 3.24Å; S102-F154 WeakPolarHBondContact OG-CE1 3.49Å; F154-L156 HydrophobicContact CE1-CB 3.86Å; F154-L156 HydrophobicContact CZ-CB 4.11Å; F154-L165 HydrophobicContact CD1-CD2 4.46Å; F154-V166 CarbonylContact O-C 3.52Å; F154-V166 WeakPolarHBondContact O-CA 3.43Å; F154-S167 PolarHBondContact N-O 3.11Å; F154-S167 PolarHBondContact O-N 3.38Å; F154-S167 PolarHBondContact O-OG 2.88Å; F154-S167 VanDerWaalsContact O-OG 3.12Å; F154-L377 HydrophobicContact CE1-CD2 4.31Å; F154-L377 WeakPolarHBondContact CE2-O 3.43Å; F154-L377 HydrophobicContact CZ-CB 4.32Å; F154-L377 HydrophobicContact CZ-CD2 4.01Å; F154-D392 WeakPolarHBondContact CA-OD2 3.36Å; F154-C393 WeakPolarHBondContact CD2-SG 3.39Å
155	E	98.6	Very high	96.9	Very high	12 Å²	12	27 Å²	27	6%	0.056	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151	168.6	72.7	164.6	179.8	0	0	114.1	L165 L388 D392 R394 Y459 R462	E155-L165 CarbonylContact C-O 3.6Å; E155-L165 VanDerWaalsContact CA-O 3.27Å; E155-L165 WeakPolarHBondContact CA-O 3.45Å; E155-L388 HydrophobicContact CG-CD2 3.58Å; E155-L388 WeakPolarHBondContact OE1-CD2 3.34Å; E155-D392 PolarHBondContact N-OD2 2.85Å; E155-R394 VanDerWaalsContact O-CZ 3.31Å; E155-R394 PolarHBondContact O-NH1 3.26Å; E155-R394 PolarHBondContact O-NH2 2.92Å; E155-Y459 HydrophobicContact CB-CE1 3.68Å; E155-Y459 HydrophobicContact CG-CE1 4.21Å; E155-Y459 WeakPolarHBondContact OE2-CE1 3.03Å; E155-R462 IonicContact OE1-CZ 2.8Å; E155-R462 IonicContact OE1-NH1 3.66Å; E155-R462 PolarHBondContact OE1-NH1 2.86Å; E155-R462 IonicContact OE1-NH2 3.43Å; E155-R462 PolarHBondContact OE1-NH2 2.9Å; E155-R462 VanDerWaalsContact OE1-NH2 3.17Å; E155-R462 IonicContact OE2-CZ 3.27Å; E155-R462 IonicContact OE2-NH1 3Å; E155-R462 PolarHBondContact OE2-NH1 3.4Å; E155-R462 IonicContact OE2-NH2 3.02Å; E155-R462 PolarHBondContact OE2-NH2 3.47Å
156	L	98.3	Very high	97.1	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.063	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	121.9	174.2	178.4	63.5	0	0	0	109.8	F154 R158 F163 R164 L165 F373 L377	F154-L156 HydrophobicContact CE1-CB 3.86Å; F154-L156 HydrophobicContact CZ-CB 4.11Å; L156-R158 HydrophobicContact CD1-CG 3.98Å; L156-R158 HydrophobicContact CD2-CG 4.24Å; L156-R158 HydrophobicContact CG-CG 3.96Å; L156-F163 HydrophobicContact CD2-CE2 4.03Å; L156-F163 HydrophobicContact CD2-CZ 3.91Å; L156-F163 HydrophobicContact CG-CE2 4.26Å; L156-F163 HydrophobicContact CG-CZ 4.38Å; L156-R164 CarbonylContact O-C 3.59Å; L156-R164 VanDerWaalsContact O-CA 3.3Å; L156-R164 WeakPolarHBondContact O-CA 3.5Å; L156-L165 HydrophobicContact CB-CB 4.43Å; L156-L165 PolarHBondContact N-O 2.9Å; L156-L165 PolarHBondContact O-N 3.46Å; L156-F373 HydrophobicContact CD2-CE1 4.26Å; L156-F373 HydrophobicContact CD2-CZ 3.71Å; L156-L377 HydrophobicContact CD1-CD2 4.37Å; L156-L377 HydrophobicContact CD2-CD2 3.8Å
157	I	97.1	Very high	97.3	Very high	68 Å²	68	25.9 Å²	25.9	35%	0.349	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122	171.6	-55.9	177.9	0	0	0	107.5	E159 R164	I157-E159 HydrophobicContact CG2-CG 4.28Å; I157-R164 HydrophobicContact CB-CB 4.46Å; I157-R164 HydrophobicContact CG1-CB 3.89Å; I157-R164 HydrophobicContact CG2-CB 4.42Å
158	R	96	Very high	97.5	Very high	21 Å²	21	23.4 Å²	23.4	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	85.4	177.9	-70.1	-65.2	-62.6	-86.3	-1.3	108.8	H54 L156 D160 Q161 G162 F163	H54-R158 PolarHBondContact NE2-NE 3.46Å; L156-R158 HydrophobicContact CD1-CG 3.98Å; L156-R158 HydrophobicContact CD2-CG 4.24Å; L156-R158 HydrophobicContact CG-CG 3.96Å; R158-D160 IonicContact CZ-OD1 3.76Å; R158-D160 IonicContact CZ-OD2 3.14Å; R158-D160 IonicContact NE-OD1 2.62Å; R158-D160 PolarHBondContact NE-OD1 3.48Å; R158-D160 IonicContact NE-OD2 3.69Å; R158-D160 PolarHBondContact NE-OD2 3.46Å; R158-D160 IonicContact NH2-OD1 3.65Å; R158-D160 IonicContact NH2-OD2 2.8Å; R158-D160 PolarHBondContact NH2-OD2 3.07Å; R158-D160 PolarHBondContact O-N 2.95Å; R158-Q161 HydrophobicContact CB-CB 4.01Å; R158-Q161 HydrophobicContact CB-CG 4.4Å; R158-Q161 CarbonylContact O-C 3.44Å; R158-Q161 PolarHBondContact O-N 3.48Å; R158-Q161 VanDerWaalsContact O-N 3.07Å; R158-G162 PolarHBondContact O-N 3.44Å; R158-F163 HydrophobicContact CB-CD1 3.99Å; R158-F163 HydrophobicContact CB-CE1 3.55Å; R158-F163 HydrophobicContact CB-CZ 3.85Å; R158-F163 HydrophobicContact CG-CE1 3.84Å; R158-F163 HydrophobicContact CG-CE2 4.47Å; R158-F163 HydrophobicContact CG-CZ 3.69Å; R158-F163 PolarHBondContact N-O 2.84Å; R158-F163 PolarHBondContact O-N 2.64Å
159	E	95	Very high	97.6	Very high	118 Å²	118	23.4 Å²	23.4	55%	0.551	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.3	176.5	-67.1	175.2	171.2	0	0	111	R52 I157 Q161 G162 L184	R52-E159 IonicContact CZ-OE2 2.67Å; R52-E159 IonicContact NE-OE2 2.78Å; R52-E159 IonicContact NH2-OE1 3.45Å; R52-E159 PolarHBondContact NH2-OE1 3.5Å; R52-E159 IonicContact NH2-OE2 3.38Å; I157-E159 HydrophobicContact CG2-CG 4.28Å; E159-Q161 VanDerWaalsContact C-N 3.3Å; E159-Q161 PolarHBondContact O-N 3.42Å; E159-G162 PolarHBondContact O-N 3.33Å; E159-L184 HydrophobicContact CG-CD1 4.35Å
160	D	93.3	Very high	97.6	Very high	85 Å²	85	23.4 Å²	23.4	46%	0.455	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.5	177.2	67.1	-51.8	0	0	0	113.8	H54 R158	H54-D160 IonicContact NE2-OD1 2.8Å; R158-D160 IonicContact CZ-OD1 3.76Å; R158-D160 IonicContact CZ-OD2 3.14Å; R158-D160 IonicContact NE-OD1 2.62Å; R158-D160 PolarHBondContact NE-OD1 3.48Å; R158-D160 IonicContact NE-OD2 3.69Å; R158-D160 PolarHBondContact NE-OD2 3.46Å; R158-D160 IonicContact NH2-OD1 3.65Å; R158-D160 IonicContact NH2-OD2 2.8Å; R158-D160 PolarHBondContact NH2-OD2 3.07Å; R158-D160 PolarHBondContact O-N 2.95Å
161	Q	94.8	Very high	97.6	Very high	46 Å²	46	23.7 Å²	23.7	22%	0.215	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-4.4	175.9	-59.9	-163.7	-7.1	0	0	113.5	M105 N112 R158 E159 F163	M105-Q161 PolarHBondContact O-OE1 3.23Å; N112-Q161 PolarHBondContact ND2-O 3.26Å; R158-Q161 HydrophobicContact CB-CB 4.01Å; R158-Q161 HydrophobicContact CB-CG 4.4Å; R158-Q161 CarbonylContact O-C 3.44Å; R158-Q161 PolarHBondContact O-N 3.48Å; R158-Q161 VanDerWaalsContact O-N 3.07Å; E159-Q161 VanDerWaalsContact C-N 3.3Å; E159-Q161 PolarHBondContact O-N 3.42Å; Q161-F163 HydrophobicContact CB-CD1 3.79Å; Q161-F163 HydrophobicContact CB-CE1 3.78Å
162	G	96.5	Very high	97.2	Very high	20 Å²	20	25.5 Å²	25.5	21%	0.206	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	29.5	173.9	0	0	0	0	0	115.5	R158 E159 S183 L184	R158-G162 PolarHBondContact O-N 3.44Å; E159-G162 PolarHBondContact O-N 3.33Å; G162-S183 WeakPolarHBondContact O-CA 3.26Å; G162-L184 PolarHBondContact O-N 3.36Å
163	F	98.4	Very high	96.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.3	178.4	78	-89.4	0	0	0	113.9	M105 T108 L156 R158 Q161 L165 E182 F188 F373	M105-F163 HydrophobicContact CB-CE1 4.01Å; M105-F163 HydrophobicContact CB-CE2 3.77Å; M105-F163 HydrophobicContact CB-CZ 3.48Å; M105-F163 VanDerWaalsContact CB-CZ 3.48Å; M105-F163 HydrophobicContact CE-CD2 4.13Å; M105-F163 HydrophobicContact CE-CG 4.17Å; M105-F163 HydrophobicContact CG-CD2 4.47Å; M105-F163 HydrophobicContact CG-CE2 3.98Å; M105-F163 HydrophobicContact CG-CZ 4.22Å; T108-F163 HydrophobicContact CG2-CD1 3.96Å; L156-F163 HydrophobicContact CD2-CE2 4.03Å; L156-F163 HydrophobicContact CD2-CZ 3.91Å; L156-F163 HydrophobicContact CG-CE2 4.26Å; L156-F163 HydrophobicContact CG-CZ 4.38Å; R158-F163 HydrophobicContact CB-CD1 3.99Å; R158-F163 HydrophobicContact CB-CE1 3.55Å; R158-F163 HydrophobicContact CB-CZ 3.85Å; R158-F163 HydrophobicContact CG-CE1 3.84Å; R158-F163 HydrophobicContact CG-CE2 4.47Å; R158-F163 HydrophobicContact CG-CZ 3.69Å; R158-F163 PolarHBondContact N-O 2.84Å; R158-F163 PolarHBondContact O-N 2.64Å; Q161-F163 HydrophobicContact CB-CD1 3.79Å; Q161-F163 HydrophobicContact CB-CE1 3.78Å; F163-L165 HydrophobicContact CD2-CB 4.29Å; F163-L165 HydrophobicContact CE2-CB 4.13Å; F163-E182 WeakPolarHBondContact CA-O 3.49Å; F163-F188 HydrophobicContact CB-CZ 3.99Å; F163-F373 HydrophobicContact CZ-CE2 4.47Å; F163-F373 HydrophobicContact CZ-CZ 4.36Å
164	R	98.5	Very high	96.1	Very high	80 Å²	80	32.6 Å²	32.6	30%	0.302	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.9	161.5	64.5	-176.6	-173	-161.3	-4.3	110.6	L156 I157 A181 E182 L184 F460	L156-R164 CarbonylContact O-C 3.59Å; L156-R164 VanDerWaalsContact O-CA 3.3Å; L156-R164 WeakPolarHBondContact O-CA 3.5Å; I157-R164 HydrophobicContact CB-CB 4.46Å; I157-R164 HydrophobicContact CG1-CB 3.89Å; I157-R164 HydrophobicContact CG2-CB 4.42Å; R164-A181 CarbonylContact O-C 3.52Å; R164-A181 WeakPolarHBondContact O-CA 3.4Å; R164-E182 HydrophobicContact CG-CG 3.64Å; R164-E182 IonicContact CZ-OE1 2.67Å; R164-E182 PolarHBondContact N-O 3.03Å; R164-E182 VanDerWaalsContact NE-CD 3.26Å; R164-E182 IonicContact NE-OE1 2.74Å; R164-E182 PolarHBondContact NE-OE1 2.81Å; R164-E182 IonicContact NE-OE2 2.92Å; R164-E182 IonicContact NH2-OE1 3.67Å; R164-E182 PolarHBondContact NH2-OE1 2.95Å; R164-E182 IonicContact NH2-OE2 3.53Å; R164-E182 PolarHBondContact NH2-OE2 3.08Å; R164-E182 PolarHBondContact O-N 3.33Å; R164-L184 HydrophobicContact CB-CD2 4.11Å; R164-L184 HydrophobicContact CG-CD2 4.06Å; R164-F460 HydrophobicContact CB-CE1 4.24Å; R164-F460 HydrophobicContact CB-CZ 4.01Å; R164-F460 HydrophobicContact CG-CD2 4.48Å; R164-F460 HydrophobicContact CG-CE1 4.3Å; R164-F460 HydrophobicContact CG-CE2 3.9Å; R164-F460 HydrophobicContact CG-CZ 3.8Å
165	L	98.8	Very high	95.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.9	-178.1	178.1	156.3	0	0	0	109.8	S102 M105 F154 E155 L156 F163 H180 A181	S102-L165 WeakPolarHBondContact OG-CD2 3.35Å; M105-L165 HydrophobicContact CG-CD1 3.75Å; F154-L165 HydrophobicContact CD1-CD2 4.46Å; E155-L165 CarbonylContact C-O 3.6Å; E155-L165 VanDerWaalsContact CA-O 3.27Å; E155-L165 WeakPolarHBondContact CA-O 3.45Å; L156-L165 HydrophobicContact CB-CB 4.43Å; L156-L165 PolarHBondContact N-O 2.9Å; L156-L165 PolarHBondContact O-N 3.46Å; F163-L165 HydrophobicContact CD2-CB 4.29Å; F163-L165 HydrophobicContact CE2-CB 4.13Å; L165-H180 CarbonylContact C-O 3.4Å; L165-H180 VanDerWaalsContact CA-O 3.3Å; L165-H180 WeakPolarHBondContact CA-O 3.42Å; L165-A181 HydrophobicContact CB-CB 3.92Å; L165-A181 HydrophobicContact CD1-CB 4.08Å; L165-A181 HydrophobicContact CG-CB 4.13Å
166	V	98.8	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.2	165.1	59.8	0	0	0	0	109.3	F154 F179 H180 F440 Y455 Y459 F460	F154-V166 CarbonylContact O-C 3.52Å; F154-V166 WeakPolarHBondContact O-CA 3.43Å; V166-F179 CarbonylContact O-C 3.52Å; V166-F179 WeakPolarHBondContact O-CA 3.41Å; V166-H180 HydrophobicContact CG1-CB 4.31Å; V166-H180 PolarHBondContact N-O 2.88Å; V166-H180 PolarHBondContact O-N 2.84Å; V166-F440 HydrophobicContact CG1-CZ 4.37Å; V166-Y455 HydrophobicContact CG1-CD2 4.06Å; V166-Y455 HydrophobicContact CG1-CE2 3.79Å; V166-Y459 HydrophobicContact CB-CD1 3.92Å; V166-Y459 HydrophobicContact CB-CE1 4.2Å; V166-Y459 HydrophobicContact CB-CG 4.19Å; V166-Y459 HydrophobicContact CG2-CD1 3.6Å; V166-Y459 HydrophobicContact CG2-CD2 3.56Å; V166-Y459 HydrophobicContact CG2-CE1 3.75Å; V166-Y459 HydrophobicContact CG2-CE2 3.72Å; V166-Y459 HydrophobicContact CG2-CG 3.53Å; V166-F460 HydrophobicContact CB-CE2 4.37Å; V166-F460 HydrophobicContact CB-CZ 3.96Å; V166-F460 HydrophobicContact CG1-CE2 4.15Å; V166-F460 HydrophobicContact CG1-CZ 4.22Å
167	S	98.8	Very high	95.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.9	172.3	54.8	0	0	0	0	111.2	T153 F154 A178	T153-S167 CarbonylContact C-O 3.59Å; T153-S167 WeakPolarHBondContact CA-O 3.4Å; F154-S167 PolarHBondContact N-O 3.11Å; F154-S167 PolarHBondContact O-N 3.38Å; F154-S167 PolarHBondContact O-OG 2.88Å; F154-S167 VanDerWaalsContact O-OG 3.12Å; S167-A178 CarbonylContact C-O 3.51Å; S167-A178 WeakPolarHBondContact CA-O 3.28Å; S167-A178 WeakPolarHBondContact CB-O 3.34Å
168	E	98.8	Very high	95.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140	179.8	-175.5	179.9	179	0	0	109.9	E152 T153 V170 A178 R438 W439 F440	E152-E168 CarbonylContact O-C 3.59Å; E152-E168 WeakPolarHBondContact O-CA 3.47Å; T153-E168 HydrophobicContact CG2-CB 4.36Å; T153-E168 HydrophobicContact CG2-CG 4.23Å; E168-V170 HydrophobicContact CB-CG1 4.13Å; E168-V170 HydrophobicContact CG-CG1 4.14Å; E168-V170 PolarHBondContact O-N 3.09Å; E168-V170 VanDerWaalsContact O-N 3.15Å; E168-A178 PolarHBondContact N-O 3.46Å; E168-A178 PolarHBondContact O-N 2.78Å; E168-R438 PolarHBondContact OE1-N 2.77Å; E168-R438 PolarHBondContact OE2-N 3.46Å; E168-W439 WeakPolarHBondContact OE2-CA 3.3Å; E168-W439 WeakPolarHBondContact OE2-CB 3.32Å; E168-W439 PolarHBondContact OE2-N 2.86Å; E168-F440 HydrophobicContact CB-CD2 3.63Å; E168-F440 HydrophobicContact CB-CE2 3.75Å; E168-F440 WeakPolarHBondContact OE2-CD2 3.5Å; E168-F440 PolarHBondContact OE2-N 3.32Å
169	Q	98.6	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	94.1	165.4	-170	68.7	17.9	0	0	109.5	P148 L149 G151 E152 S171 V176 S177	P148-Q169 HydrophobicContact CB-CB 3.78Å; P148-Q169 HydrophobicContact CB-CG 3.84Å; P148-Q169 VanDerWaalsContact CG-OE1 3.3Å; L149-Q169 WeakPolarHBondContact O-CB 3.39Å; L149-Q169 WeakPolarHBondContact O-CG 3.44Å; G151-Q169 PolarHBondContact N-O 2.99Å; E152-Q169 HydrophobicContact CB-CB 4.39Å; E152-Q169 PolarHBondContact O-N 2.78Å; Q169-S171 PolarHBondContact NE2-O 2.86Å; Q169-V176 PolarHBondContact NE2-O 2.89Å; Q169-S177 PolarHBondContact OE1-OG 3.38Å
170	V	97.9	Very high	96.2	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.024	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-19.3	-172.4	-66.9	0	0	0	0	113.6	E168 V176 A178 T437 F440 W453	E168-V170 HydrophobicContact CB-CG1 4.13Å; E168-V170 HydrophobicContact CG-CG1 4.14Å; E168-V170 PolarHBondContact O-N 3.09Å; E168-V170 VanDerWaalsContact O-N 3.15Å; V170-V176 HydrophobicContact CG2-CB 3.84Å; V170-V176 HydrophobicContact CG2-CG1 3.72Å; V170-V176 VanDerWaalsContact CG2-O 3.28Å; V170-V176 WeakPolarHBondContact CG2-O 3.49Å; V170-V176 PolarHBondContact N-O 3.11Å; V170-A178 HydrophobicContact CG1-CB 3.74Å; V170-A178 HydrophobicContact CG2-CB 4.04Å; V170-T437 HydrophobicContact CB-CG2 3.72Å; V170-T437 HydrophobicContact CG1-CG2 3.91Å; V170-T437 WeakPolarHBondContact O-CG2 3.43Å; V170-F440 HydrophobicContact CG1-CB 3.79Å; V170-F440 HydrophobicContact CG1-CD2 4.27Å; V170-F440 HydrophobicContact CG1-CG 4.21Å; V170-W453 HydrophobicContact CB-CD2 3.76Å; V170-W453 HydrophobicContact CB-CE3 3.98Å; V170-W453 HydrophobicContact CB-CG 4.29Å; V170-W453 HydrophobicContact CB-CH2 4.13Å; V170-W453 HydrophobicContact CB-CZ2 3.91Å; V170-W453 HydrophobicContact CB-CZ3 4.17Å; V170-W453 HydrophobicContact CG1-CD2 4.07Å; V170-W453 HydrophobicContact CG1-CE3 4.02Å; V170-W453 HydrophobicContact CG1-CG 4.44Å; V170-W453 HydrophobicContact CG1-CZ3 4.45Å; V170-W453 HydrophobicContact CG2-CD2 3.63Å; V170-W453 VanDerWaalsContact CG2-CE2 3.45Å; V170-W453 HydrophobicContact CG2-CE3 4.36Å; V170-W453 HydrophobicContact CG2-CG 3.71Å; V170-W453 HydrophobicContact CG2-CZ2 4.03Å
171	S	96	Very high	96.4	Very high	26 Å²	26	20 Å²	20	18%	0.182	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	149.7	175.1	175	0	0	0	0	111.1	Q169 P174 P175 V176	Q169-S171 PolarHBondContact NE2-O 2.86Å; S171-P174 CarbonylContact C-O 3.56Å; S171-P174 VanDerWaalsContact CB-O 3.27Å; S171-P174 WeakPolarHBondContact CB-O 3.4Å; S171-P174 PolarHBondContact OG-O 2.8Å; S171-P175 WeakPolarHBondContact O-CA 3.27Å; S171-V176 PolarHBondContact N-O 2.69Å; S171-V176 PolarHBondContact O-N 3.01Å
172	H	89.5	Confident	96.6	Very high	39 Å²	39	20 Å²	20	18%	0.181	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-24.7	175.8	-164.3	71.3	0	0	0	113	N147 L150 P174 Q421	N147-H172 PolarHBondContact ND2-CE1 2.99Å; N147-H172 VanDerWaalsContact ND2-CE1 3.33Å; L150-H172 HydrophobicContact CB-CB 4.3Å; L150-H172 HydrophobicContact CD1-CB 4.44Å; H172-P174 CarbonylContact C-O 3.58Å; H172-P174 CarbonylContact O-C 3.58Å; H172-Q421 PolarHBondContact CE1-NE2 3.23Å; H172-Q421 VanDerWaalsContact CE1-NE2 3.33Å; H172-Q421 PolarHBondContact NE2-NE2 3Å
173	H	85.6	Confident	96.7	Very high	89 Å²	89	19.4 Å²	19.4	41%	0.412	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	94.3	177	-63.1	-57.5	0	0	0	110.9	R425	H173-R425 VanDerWaalsContact CD2-CZ 3.45Å; H173-R425 PolarHBondContact CD2-NH1 3.14Å; H173-R425 PolarHBondContact NE2-NH1 2.86Å
174	P	90.4	Very high	96.6	Very high	62 Å²	62	23.3 Å²	23.3	40%	0.403	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	cis	-70	159.1	-4.1	30	-34.9	0	0	0	112.8	S171 H172 V176 Y195	S171-P174 CarbonylContact C-O 3.56Å; S171-P174 VanDerWaalsContact CB-O 3.27Å; S171-P174 WeakPolarHBondContact CB-O 3.4Å; S171-P174 PolarHBondContact OG-O 2.8Å; H172-P174 CarbonylContact C-O 3.58Å; H172-P174 CarbonylContact O-C 3.58Å; P174-V176 HydrophobicContact CG-CG2 4.27Å; P174-V176 PolarHBondContact O-N 2.77Å; P174-Y195 HydrophobicContact CB-CD1 4.23Å; P174-Y195 HydrophobicContact CB-CD2 3.91Å; P174-Y195 HydrophobicContact CB-CE1 3.9Å; P174-Y195 HydrophobicContact CB-CE2 3.58Å; P174-Y195 HydrophobicContact CB-CG 4.24Å; P174-Y195 HydrophobicContact CG-CE1 4.41Å
175	P	92.5	Very high	96.6	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.058	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	110.7	177	28.4	-34.1	0	0	0	110.4	S171 Y195	S171-P175 WeakPolarHBondContact O-CA 3.27Å; P175-Y195 HydrophobicContact CG-CD2 4.12Å; P175-Y195 HydrophobicContact CG-CE2 4.08Å; P175-Y195 WeakPolarHBondContact O-CA 3.39Å; P175-Y195 VanDerWaalsContact O-CD2 3.27Å; P175-Y195 WeakPolarHBondContact O-CD2 3.48Å
176	V	97.4	Very high	96.5	Very high	17 Å²	17	25.5 Å²	25.5	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.6	178.4	-172.8	0	0	0	0	109.1	Q169 V170 S171 P174 I194	Q169-V176 PolarHBondContact NE2-O 2.89Å; V170-V176 HydrophobicContact CG2-CB 3.84Å; V170-V176 HydrophobicContact CG2-CG1 3.72Å; V170-V176 VanDerWaalsContact CG2-O 3.28Å; V170-V176 WeakPolarHBondContact CG2-O 3.49Å; V170-V176 PolarHBondContact N-O 3.11Å; S171-V176 PolarHBondContact N-O 2.69Å; S171-V176 PolarHBondContact O-N 3.01Å; P174-V176 HydrophobicContact CG-CG2 4.27Å; P174-V176 PolarHBondContact O-N 2.77Å; V176-I194 WeakPolarHBondContact CA-O 3.49Å
177	S	98.6	Very high	96.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.5	173.2	-51.3	0	0	0	0	109.1	F97 I101 Q169 S193 I194	F97-S177 WeakPolarHBondContact CD1-OG 3.45Å; I101-S177 VanDerWaalsContact CD1-CB 3.44Å; Q169-S177 PolarHBondContact OE1-OG 3.38Å; S177-S193 CarbonylContact O-C 3.53Å; S177-S193 VanDerWaalsContact O-CA 3.26Å; S177-S193 WeakPolarHBondContact O-CA 3.26Å; S177-I194 PolarHBondContact N-O 3.17Å; S177-I194 PolarHBondContact O-N 3.44Å
178	A	98.6	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.7	174.9	0	0	0	0	0	109.9	S167 E168 V170 F440 W453	S167-A178 CarbonylContact C-O 3.51Å; S167-A178 WeakPolarHBondContact CA-O 3.28Å; S167-A178 WeakPolarHBondContact CB-O 3.34Å; E168-A178 PolarHBondContact N-O 3.46Å; E168-A178 PolarHBondContact O-N 2.78Å; V170-A178 HydrophobicContact CG1-CB 3.74Å; V170-A178 HydrophobicContact CG2-CB 4.04Å; A178-F440 HydrophobicContact CB-CB 4.31Å; A178-F440 HydrophobicContact CB-CD1 3.54Å; A178-F440 HydrophobicContact CB-CD2 4.14Å; A178-F440 HydrophobicContact CB-CE1 3.79Å; A178-F440 HydrophobicContact CB-CE2 4.37Å; A178-F440 HydrophobicContact CB-CG 3.73Å; A178-F440 HydrophobicContact CB-CZ 4.21Å; A178-W453 HydrophobicContact CB-CB 3.63Å; A178-W453 HydrophobicContact CB-CG 4.28Å
179	F	98.8	Very high	96.4	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.7	176.5	69.6	-89	0	0	0	111.2	I101 Y104 V166 F190 H191 G192 I194 I213	I101-F179 HydrophobicContact CG2-CB 4.25Å; I101-F179 HydrophobicContact CG2-CD1 3.43Å; I101-F179 VanDerWaalsContact CG2-CD1 3.43Å; I101-F179 HydrophobicContact CG2-CE1 3.91Å; I101-F179 HydrophobicContact CG2-CG 3.85Å; Y104-F179 HydrophobicContact CD2-CZ 4.3Å; Y104-F179 HydrophobicContact CE2-CE1 4.45Å; V166-F179 CarbonylContact O-C 3.52Å; V166-F179 WeakPolarHBondContact O-CA 3.41Å; F179-F190 HydrophobicContact CD2-CD1 4.29Å; F179-F190 HydrophobicContact CD2-CE1 4.2Å; F179-F190 AromaticContact CE2-CD1 3.58Å; F179-F190 HydrophobicContact CE2-CD1 3.58Å; F179-F190 AromaticContact CE2-CE1 3.3Å; F179-F190 HydrophobicContact CE2-CE1 3.3Å; F179-F190 HydrophobicContact CE2-CG 4.38Å; F179-F190 AromaticContact CE2-CZ 3.88Å; F179-F190 HydrophobicContact CE2-CZ 3.88Å; F179-F190 AromaticContact CZ-CE1 3.88Å; F179-F190 HydrophobicContact CZ-CE1 3.88Å; F179-F190 HydrophobicContact CZ-CZ 4.04Å; F179-H191 VanDerWaalsContact CE2-C 3.49Å; F179-H191 WeakPolarHBondContact O-CA 3.18Å; F179-H191 WeakPolarHBondContact O-CB 3.46Å; F179-G192 WeakPolarHBondContact CD1-O 3.15Å; F179-G192 PolarHBondContact N-O 3.17Å; F179-G192 PolarHBondContact O-N 2.88Å; F179-I194 HydrophobicContact CE1-CG1 4.31Å; F179-I213 HydrophobicContact CE1-CD1 3.96Å; F179-I213 HydrophobicContact CZ-CD1 3.72Å
180	H	98.8	Very high	96.4	Very high	24 Å²	24	29.2 Å²	29.2	11%	0.111	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	124.7	175.5	179.7	95.6	0	0	0	109	L165 V166 V189 H191 F440 Y455	L165-H180 CarbonylContact C-O 3.4Å; L165-H180 VanDerWaalsContact CA-O 3.3Å; L165-H180 WeakPolarHBondContact CA-O 3.42Å; V166-H180 HydrophobicContact CG1-CB 4.31Å; V166-H180 PolarHBondContact N-O 2.88Å; V166-H180 PolarHBondContact O-N 2.84Å; H180-V189 WeakPolarHBondContact CE1-CG1 3.49Å; H180-H191 HydrophobicContact CB-CB 4.42Å; H180-F440 HydrophobicContact CB-CE1 3.97Å; H180-F440 HydrophobicContact CB-CZ 4.07Å; H180-Y455 HydrophobicContact CB-CD1 4.32Å; H180-Y455 HydrophobicContact CB-CG 3.96Å; H180-Y455 AromaticContact CD2-CD1 3.44Å; H180-Y455 VanDerWaalsContact CD2-CD1 3.44Å; H180-Y455 WeakPolarHBondContact CD2-CD1 3.44Å; H180-Y455 AromaticContact CD2-CE1 3.94Å; H180-Y455 AromaticContact CD2-CG 3.99Å; H180-Y455 AromaticContact CE1-CD1 3.86Å; H180-Y455 AromaticContact CG-CD1 3.66Å; H180-Y455 AromaticContact CG-CG 3.77Å; H180-Y455 AromaticContact ND1-CD1 3.93Å; H180-Y455 AromaticContact NE2-CD1 3.57Å
181	A	98.8	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.1	174	0	0	0	0	0	110.2	M105 R164 L165 V189 F190	M105-A181 HydrophobicContact CE-CB 3.85Å; M105-A181 HydrophobicContact SD-CB 4.21Å; R164-A181 CarbonylContact O-C 3.52Å; R164-A181 WeakPolarHBondContact O-CA 3.4Å; L165-A181 HydrophobicContact CB-CB 3.92Å; L165-A181 HydrophobicContact CD1-CB 4.08Å; L165-A181 HydrophobicContact CG-CB 4.13Å; A181-V189 CarbonylContact O-C 3.35Å; A181-V189 WeakPolarHBondContact O-CA 3.46Å; A181-F190 HydrophobicContact CB-CB 4.35Å; A181-F190 HydrophobicContact CB-CD1 4.44Å; A181-F190 PolarHBondContact N-O 3.08Å; A181-F190 PolarHBondContact O-N 3.23Å
182	E	98.3	Very high	96.5	Very high	45 Å²	45	29.1 Å²	29.1	21%	0.21	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.2	177.1	63.3	-170.5	140.8	0	0	109.8	F163 R164	F163-E182 WeakPolarHBondContact CA-O 3.49Å; R164-E182 HydrophobicContact CG-CG 3.64Å; R164-E182 IonicContact CZ-OE1 2.67Å; R164-E182 PolarHBondContact N-O 3.03Å; R164-E182 VanDerWaalsContact NE-CD 3.26Å; R164-E182 IonicContact NE-OE1 2.74Å; R164-E182 PolarHBondContact NE-OE1 2.81Å; R164-E182 IonicContact NE-OE2 2.92Å; R164-E182 IonicContact NH2-OE1 3.67Å; R164-E182 PolarHBondContact NH2-OE1 2.95Å; R164-E182 IonicContact NH2-OE2 3.53Å; R164-E182 PolarHBondContact NH2-OE2 3.08Å; R164-E182 PolarHBondContact O-N 3.33Å
183	S	98.3	Very high	96.9	Very high	7 Å²	7	27.9 Å²	27.9	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.8	171.7	174.8	0	0	0	0	110.7	G162 S185 G186 D187 F188	G162-S183 WeakPolarHBondContact O-CA 3.26Å; S183-S185 PolarHBondContact O-N 3.03Å; S183-S185 PolarHBondContact OG-N 2.81Å; S183-S185 PolarHBondContact OG-OG 2.98Å; S183-G186 PolarHBondContact O-N 3Å; S183-G186 VanDerWaalsContact O-N 3.12Å; S183-G186 PolarHBondContact OG-N 3.11Å; S183-D187 PolarHBondContact OG-N 3.4Å; S183-F188 PolarHBondContact N-O 3.14Å
184	L	97.8	Very high	97.4	Very high	82 Å²	82	23.7 Å²	23.7	43%	0.429	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.3	173.7	-62.7	178.6	0	0	0	112.4	E159 G162 R164	E159-L184 HydrophobicContact CG-CD1 4.35Å; G162-L184 PolarHBondContact O-N 3.36Å; R164-L184 HydrophobicContact CB-CD2 4.11Å; R164-L184 HydrophobicContact CG-CD2 4.06Å
185	S	96.6	Very high	97.7	Very high	84 Å²	84	22.5 Å²	22.5	59%	0.587	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6	173.6	46.6	0	0	0	0	113.5	S183 D187	S183-S185 PolarHBondContact O-N 3.03Å; S183-S185 PolarHBondContact OG-N 2.81Å; S183-S185 PolarHBondContact OG-OG 2.98Å; S185-D187 WeakPolarHBondContact CB-OD2 3.36Å; S185-D187 PolarHBondContact OG-OD2 2.81Å
186	G	97.1	Very high	97.6	Very high	44 Å²	44	23.6 Å²	23.6	45%	0.454	14%	0.142	S	C	.	.	S	Bend	trans	76.1	25.2	-177.6	0	0	0	0	0	114.1	S183 L218	S183-G186 PolarHBondContact O-N 3Å; S183-G186 VanDerWaalsContact O-N 3.12Å; S183-G186 PolarHBondContact OG-N 3.11Å; G186-L218 VanDerWaalsContact O-CD1 3.27Å; G186-L218 WeakPolarHBondContact O-CD1 3.32Å
187	D	97.8	Very high	97.3	Very high	56 Å²	56	25.6 Å²	25.6	30%	0.299	15%	0.149	S	C	.	.	S	Bend	trans	-84.7	-30.5	-178.6	-69.3	-48.6	0	0	0	113.9	C115 S183 S185 L218	C115-D187 HydrophobicContact CB-CB 4.3Å; S183-D187 PolarHBondContact OG-N 3.4Å; S185-D187 WeakPolarHBondContact CB-OD2 3.36Å; S185-D187 PolarHBondContact OG-OD2 2.81Å; D187-L218 PolarHBondContact O-N 3.17Å
188	F	98.8	Very high	96.7	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.9	-177.5	75.4	-98	0	0	0	113.2	M105 T108 I111 N112 F163 S183 F190 L215 E216 L217	M105-F188 HydrophobicContact CE-CE2 3.85Å; M105-F188 HydrophobicContact CE-CZ 4.02Å; T108-F188 HydrophobicContact CG2-CE1 3.89Å; T108-F188 HydrophobicContact CG2-CZ 3.63Å; I111-F188 HydrophobicContact CB-CD1 4.38Å; I111-F188 HydrophobicContact CB-CE1 4.48Å; I111-F188 HydrophobicContact CD1-CD2 4.37Å; I111-F188 HydrophobicContact CD1-CE2 4.15Å; I111-F188 HydrophobicContact CD1-CZ 4.43Å; I111-F188 HydrophobicContact CG2-CB 3.77Å; I111-F188 HydrophobicContact CG2-CD1 3.48Å; I111-F188 VanDerWaalsContact CG2-CD1 3.48Å; I111-F188 HydrophobicContact CG2-CD2 3.94Å; I111-F188 HydrophobicContact CG2-CE1 4.03Å; I111-F188 HydrophobicContact CG2-CE2 4.45Å; I111-F188 HydrophobicContact CG2-CG 3.45Å; I111-F188 VanDerWaalsContact CG2-CG 3.45Å; I111-F188 HydrophobicContact CG2-CZ 4.49Å; N112-F188 WeakPolarHBondContact OD1-CE1 3.5Å; F163-F188 HydrophobicContact CB-CZ 3.99Å; S183-F188 PolarHBondContact N-O 3.14Å; F188-F190 HydrophobicContact CD2-CB 4.29Å; F188-F190 HydrophobicContact CE2-CB 4.27Å; F188-L215 HydrophobicContact CB-CD1 4.39Å; F188-L215 HydrophobicContact CD2-CD1 4.23Å; F188-E216 CarbonylContact C-O 3.58Å; F188-E216 WeakPolarHBondContact CA-O 3.27Å; F188-E216 WeakPolarHBondContact CB-O 3.45Å; F188-L217 HydrophobicContact CB-CD2 4.27Å
189	V	98.7	Very high	96	Very high	22 Å²	22	31.6 Å²	31.6	13%	0.133	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.3	166.1	-172.9	0	0	0	0	108.7	H180 A181 L215 E216 L218	H180-V189 WeakPolarHBondContact CE1-CG1 3.49Å; A181-V189 CarbonylContact O-C 3.35Å; A181-V189 WeakPolarHBondContact O-CA 3.46Å; V189-L215 WeakPolarHBondContact O-CA 3.34Å; V189-E216 HydrophobicContact CB-CB 4.27Å; V189-E216 PolarHBondContact N-O 3.1Å; V189-E216 PolarHBondContact O-N 3.13Å; V189-L218 HydrophobicContact CG2-CD1 3.98Å; V189-L218 HydrophobicContact CG2-CD2 4.2Å; V189-L218 HydrophobicContact CG2-CG 4.37Å
190	F	98.8	Very high	95.1	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120	178.6	175.2	-109.2	0	0	0	109.9	Y104 M105 F130 F179 A181 F188 I213 T214 L215 W226	Y104-F190 HydrophobicContact CD2-CE1 4.28Å; Y104-F190 HydrophobicContact CD2-CZ 4.2Å; M105-F190 HydrophobicContact CE-CD1 4.26Å; M105-F190 HydrophobicContact SD-CD1 3.24Å; M105-F190 WeakPolarHBondContact SD-CD1 3.42Å; M105-F190 HydrophobicContact SD-CE1 3.64Å; M105-F190 HydrophobicContact SD-CG 4.1Å; F130-F190 HydrophobicContact CE1-CD2 4Å; F130-F190 HydrophobicContact CE1-CE1 4.47Å; F130-F190 AromaticContact CE1-CE2 3.57Å; F130-F190 HydrophobicContact CE1-CE2 3.57Å; F130-F190 AromaticContact CE1-CZ 3.84Å; F130-F190 HydrophobicContact CE1-CZ 3.84Å; F130-F190 HydrophobicContact CZ-CD2 4.45Å; F130-F190 HydrophobicContact CZ-CE1 4.24Å; F130-F190 HydrophobicContact CZ-CE2 4.13Å; F130-F190 HydrophobicContact CZ-CZ 4.01Å; F179-F190 HydrophobicContact CD2-CD1 4.29Å; F179-F190 HydrophobicContact CD2-CE1 4.2Å; F179-F190 AromaticContact CE2-CD1 3.58Å; F179-F190 HydrophobicContact CE2-CD1 3.58Å; F179-F190 AromaticContact CE2-CE1 3.3Å; F179-F190 HydrophobicContact CE2-CE1 3.3Å; F179-F190 HydrophobicContact CE2-CG 4.38Å; F179-F190 AromaticContact CE2-CZ 3.88Å; F179-F190 HydrophobicContact CE2-CZ 3.88Å; F179-F190 AromaticContact CZ-CE1 3.88Å; F179-F190 HydrophobicContact CZ-CE1 3.88Å; F179-F190 HydrophobicContact CZ-CZ 4.04Å; A181-F190 HydrophobicContact CB-CB 4.35Å; A181-F190 HydrophobicContact CB-CD1 4.44Å; A181-F190 PolarHBondContact N-O 3.08Å; A181-F190 PolarHBondContact O-N 3.23Å; F188-F190 HydrophobicContact CD2-CB 4.29Å; F188-F190 HydrophobicContact CE2-CB 4.27Å; F190-I213 HydrophobicContact CD2-CG2 4.16Å; F190-I213 HydrophobicContact CE2-CG2 3.17Å; F190-I213 HydrophobicContact CZ-CG2 3.59Å; F190-T214 WeakPolarHBondContact CA-O 3.24Å; F190-L215 HydrophobicContact CB-CD1 4.05Å; F190-L215 HydrophobicContact CD2-CB 4.2Å; F190-L215 HydrophobicContact CD2-CD1 4.21Å; F190-W226 HydrophobicContact CD2-CH2 4.29Å; F190-W226 AromaticContact CE2-CH2 3.68Å; F190-W226 HydrophobicContact CE2-CH2 3.68Å; F190-W226 AromaticContact CE2-CZ2 3.82Å; F190-W226 HydrophobicContact CE2-CZ2 3.82Å; F190-W226 HydrophobicContact CZ-CZ2 4.49Å
191	H	98.6	Very high	94.3	Very high	26 Å²	26	41.1 Å²	41.1	12%	0.12	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	165.8	-172.9	64.4	94.5	0	0	0	112.8	F179 H180 T214 E216	F179-H191 VanDerWaalsContact CE2-C 3.49Å; F179-H191 WeakPolarHBondContact O-CA 3.18Å; F179-H191 WeakPolarHBondContact O-CB 3.46Å; H180-H191 HydrophobicContact CB-CB 4.42Å; H191-T214 PolarHBondContact N-O 3.08Å; H191-T214 WeakPolarHBondContact NE2-CG2 3.41Å; H191-T214 PolarHBondContact O-N 3.35Å; H191-E216 IonicContact CD2-OE1 3.99Å; H191-E216 IonicContact CE1-OE1 2.81Å; H191-E216 IonicContact NE2-OE1 2.78Å; H191-E216 PolarHBondContact NE2-OE1 2.98Å
192	G	97.8	Very high	93.4	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-176.1	176.1	0	0	0	0	0	111.8	F179 T212	F179-G192 WeakPolarHBondContact CD1-O 3.15Å; F179-G192 PolarHBondContact N-O 3.17Å; F179-G192 PolarHBondContact O-N 2.88Å; G192-T212 WeakPolarHBondContact CA-O 3.2Å
193	S	96.9	Very high	92.7	Very high	12 Å²	12	45.4 Å²	45.4	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.3	173.4	63	0	0	0	0	110.5	S177 G211	S177-S193 CarbonylContact O-C 3.53Å; S177-S193 VanDerWaalsContact O-CA 3.26Å; S177-S193 WeakPolarHBondContact O-CA 3.26Å; S193-G211 WeakPolarHBondContact O-CA 2.9Å
194	I	97.1	Very high	92.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.7	-175.8	-59.1	-57.4	0	0	0	110.6	F97 I101 Y104 V176 S177 F179 P209 R210 I213	F97-I194 HydrophobicContact CE1-CG2 4.16Å; F97-I194 HydrophobicContact CZ-CG2 3.88Å; I101-I194 HydrophobicContact CD1-CB 4.17Å; I101-I194 HydrophobicContact CD1-CG1 4.42Å; Y104-I194 HydrophobicContact CE2-CG1 4.5Å; V176-I194 WeakPolarHBondContact CA-O 3.49Å; S177-I194 PolarHBondContact N-O 3.17Å; S177-I194 PolarHBondContact O-N 3.44Å; F179-I194 HydrophobicContact CE1-CG1 4.31Å; I194-P209 HydrophobicContact CG2-CB 4.18Å; I194-R210 CarbonylContact C-O 3.54Å; I194-R210 WeakPolarHBondContact CA-O 3.43Å; I194-I213 HydrophobicContact CD1-CD1 3.71Å
195	Y	94.8	Very high	91.5	Very high	38 Å²	38	43.1 Å²	43.1	15%	0.149	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	103.2	164.7	167.5	-145.5	0	0	0	109.3	P174 P175 K197 E208 R210	P174-Y195 HydrophobicContact CB-CD1 4.23Å; P174-Y195 HydrophobicContact CB-CD2 3.91Å; P174-Y195 HydrophobicContact CB-CE1 3.9Å; P174-Y195 HydrophobicContact CB-CE2 3.58Å; P174-Y195 HydrophobicContact CB-CG 4.24Å; P174-Y195 HydrophobicContact CG-CE1 4.41Å; P175-Y195 HydrophobicContact CG-CD2 4.12Å; P175-Y195 HydrophobicContact CG-CE2 4.08Å; P175-Y195 WeakPolarHBondContact O-CA 3.39Å; P175-Y195 VanDerWaalsContact O-CD2 3.27Å; P175-Y195 WeakPolarHBondContact O-CD2 3.48Å; Y195-K197 HydrophobicContact CE1-CB 4.1Å; Y195-K197 HydrophobicContact CE2-CB 4.29Å; Y195-K197 PolarHBondContact O-N 3.22Å; Y195-K197 VanDerWaalsContact O-N 3.11Å; Y195-E208 VanDerWaalsContact O-O 3.1Å; Y195-R210 HydrophobicContact CD1-CB 4.24Å; Y195-R210 PolarHBondContact N-O 3.41Å; Y195-R210 WeakPolarHBondContact O-CB 3.3Å; Y195-R210 PolarHBondContact O-N 3.07Å
196	P	91.9	Very high	91.2	Very high	31 Å²	31	39.9 Å²	39.9	20%	0.201	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	95.3	177.8	31.6	-32.7	0	0	0	110.3	F97 L198	F97-P196 HydrophobicContact CE1-CG 3.82Å; F97-P196 HydrophobicContact CZ-CB 4.27Å; F97-P196 HydrophobicContact CZ-CG 3.88Å; P196-L198 PolarHBondContact O-N 3.24Å
197	K	89.6	Confident	91	Very high	59 Å²	59	38.8 Å²	38.8	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.9	176.4	-174.7	174.6	-175.3	173	0	109.9	Y195 E208	Y195-K197 HydrophobicContact CE1-CB 4.1Å; Y195-K197 HydrophobicContact CE2-CB 4.29Å; Y195-K197 PolarHBondContact O-N 3.22Å; Y195-K197 VanDerWaalsContact O-N 3.11Å; K197-E208 HydrophobicContact CB-CB 4.32Å; K197-E208 PolarHBondContact N-O 2.84Å; K197-E208 PolarHBondContact O-N 2.95Å
198	L	86.3	Confident	90.8	Very high	57 Å²	57	37.5 Å²	37.5	30%	0.298	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.3	-177.2	-57.8	179.5	0	0	0	111.9	L82 P196 V205 E206 A207	L82-L198 HydrophobicContact CB-CB 4Å; L82-L198 HydrophobicContact CB-CD1 3.87Å; L82-L198 HydrophobicContact CD1-CB 3.99Å; P196-L198 PolarHBondContact O-N 3.24Å; L198-V205 HydrophobicContact CD2-CG1 4.25Å; L198-E206 CarbonylContact C-O 3.49Å; L198-E206 WeakPolarHBondContact CA-O 3.08Å; L198-A207 HydrophobicContact CD2-CB 3.61Å
199	K	84.1	Confident	90.6	Very high	70 Å²	70	38.5 Å²	38.5	30%	0.304	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.7	171.9	-65	177.5	-168.2	157.5	0	110.1	W201 V205 E206 E208	K199-W201 HydrophobicContact CD-CZ2 4.28Å; K199-V205 CarbonylContact O-C 3.59Å; K199-V205 WeakPolarHBondContact O-CA 3.48Å; K199-E206 PolarHBondContact N-O 2.76Å; K199-E206 PolarHBondContact O-N 3.41Å; K199-E208 IonicContact NZ-OE2 3.82Å
200	F	81.3	Confident	90.4	Very high	62 Å²	62	42.3 Å²	42.3	27%	0.272	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.6	175.3	176.1	-119.3	0	0	0	110.3	W71 L74 I78 L82 G202 V205 I236 I237	W71-F200 HydrophobicContact CZ3-CZ 4.01Å; L74-F200 HydrophobicContact CD1-CE2 4.11Å; I78-F200 HydrophobicContact CG1-CE1 4.41Å; L82-F200 HydrophobicContact CD1-CB 4.13Å; F200-G202 VanDerWaalsContact CE2-C 3.48Å; F200-G202 WeakPolarHBondContact CE2-O 3.48Å; F200-G202 VanDerWaalsContact CZ-C 3.47Å; F200-G202 WeakPolarHBondContact CZ-O 3.22Å; F200-V205 HydrophobicContact CD2-CG2 4.08Å; F200-I236 HydrophobicContact CD2-CD1 3.71Å; F200-I236 HydrophobicContact CE2-CD1 3.6Å; F200-I236 HydrophobicContact CE2-CG1 4.19Å; F200-I237 HydrophobicContact CZ-CD1 4.48Å
201	W	81.6	Confident	90.2	Very high	164 Å²	164	43.2 Å²	43.2	62%	0.621	21%	0.214	S	C	*	.			trans	-114.4	33.9	-177.2	-67.4	106.5	0	0	0	112.2	K199 K203 S204 E206	K199-W201 HydrophobicContact CD-CZ2 4.28Å; W201-K203 VanDerWaalsContact C-N 3.32Å; W201-K203 PolarHBondContact O-N 2.92Å; W201-S204 PolarHBondContact N-O 2.91Å; W201-E206 PolarHBondContact NE1-OE2 2.93Å
202	G	80.3	Confident	90.1	Very high	33 Å²	33	43 Å²	43	34%	0.34	22%	0.215	S	C	.	.	S	Bend	trans	81.2	-67.3	-179.4	0	0	0	0	0	112.8	F200 I237	F200-G202 VanDerWaalsContact CE2-C 3.48Å; F200-G202 WeakPolarHBondContact CE2-O 3.48Å; F200-G202 VanDerWaalsContact CZ-C 3.47Å; F200-G202 WeakPolarHBondContact CZ-O 3.22Å; G202-I237 WeakPolarHBondContact O-CD1 3.34Å
203	K	82.2	Confident	90.1	Very high	101 Å²	101	43 Å²	43	44%	0.439	21%	0.214	S	C	.	.	S	Bend	trans	-102.3	-6.8	179.2	-66.3	-172.4	178.9	-173	0	114.3	W201 N235 I236 D336	W201-K203 VanDerWaalsContact C-N 3.32Å; W201-K203 PolarHBondContact O-N 2.92Å; K203-N235 PolarHBondContact O-N 3.36Å; K203-I236 WeakPolarHBondContact O-CG1 3.5Å; K203-I236 PolarHBondContact O-N 2.87Å; K203-I236 VanDerWaalsContact O-N 3.07Å; K203-D336 WeakPolarHBondContact CD-OD1 3.32Å; K203-D336 IonicContact NZ-OD1 3.88Å; K203-D336 PolarHBondContact NZ-OD1 2.84Å; K203-D336 IonicContact NZ-OD2 2.73Å; K203-D336 PolarHBondContact NZ-OD2 2.76Å
204	S	86.3	Confident	90.2	Very high	18 Å²	18	42.5 Å²	42.5	13%	0.126	21%	0.211	C	C	.	.			trans	-140.3	153.5	-173.2	-47.1	0	0	0	0	112	W201 V233 H234	W201-S204 PolarHBondContact N-O 2.91Å; S204-V233 CarbonylContact C-O 3.59Å; S204-V233 WeakPolarHBondContact CA-O 3.46Å; S204-V233 WeakPolarHBondContact CB-O 3.11Å; S204-H234 PolarHBondContact OG-ND1 3.3Å
205	V	86.3	Confident	90.3	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.139	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120	169.4	163.6	0	0	0	0	108	L82 L198 K199 F200 C232 V233 I236	L82-V205 HydrophobicContact CD1-CG1 4.05Å; L82-V205 HydrophobicContact CD1-CG2 3.68Å; L198-V205 HydrophobicContact CD2-CG1 4.25Å; K199-V205 CarbonylContact O-C 3.59Å; K199-V205 WeakPolarHBondContact O-CA 3.48Å; F200-V205 HydrophobicContact CD2-CG2 4.08Å; V205-C232 WeakPolarHBondContact O-CA 3.47Å; V205-V233 PolarHBondContact N-O 3.22Å; V205-V233 PolarHBondContact O-N 2.82Å; V205-I236 HydrophobicContact CB-CD1 4.09Å; V205-I236 HydrophobicContact CG2-CD1 3.3Å
206	E	90.1	Very high	90.5	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131	174.2	-176.6	-169.6	-145.5	0	0	109	L198 K199 W201 Y230 C231 Y246	L198-E206 CarbonylContact C-O 3.49Å; L198-E206 WeakPolarHBondContact CA-O 3.08Å; K199-E206 PolarHBondContact N-O 2.76Å; K199-E206 PolarHBondContact O-N 3.41Å; W201-E206 PolarHBondContact NE1-OE2 2.93Å; E206-Y230 HydrophobicContact CG-CD1 3.95Å; E206-Y230 WeakPolarHBondContact OE1-CD1 3.45Å; E206-C231 CarbonylContact C-O 3.53Å; E206-Y246 PolarHBondContact OE1-OH 3.1Å
207	A	91.6	Very high	90.8	Very high	21 Å²	21	41.5 Å²	41.5	17%	0.174	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119	171.4	0	0	0	0	0	108.9	L198 P209 C231	L198-A207 HydrophobicContact CD2-CB 3.61Å; A207-P209 VanDerWaalsContact O-CD 3.3Å; A207-P209 WeakPolarHBondContact O-CD 3.46Å; A207-C231 HydrophobicContact CB-CB 4.41Å; A207-C231 PolarHBondContact N-O 3.12Å; A207-C231 PolarHBondContact O-N 2.79Å
208	E	94.8	Very high	91.2	Very high	30 Å²	30	42.4 Å²	42.4	14%	0.14	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	103.9	171.2	-177.9	-171.5	157.6	0	0	108	Y195 K197 K199 R210 Y230	Y195-E208 VanDerWaalsContact O-O 3.1Å; K197-E208 HydrophobicContact CB-CB 4.32Å; K197-E208 PolarHBondContact N-O 2.84Å; K197-E208 PolarHBondContact O-N 2.95Å; K199-E208 IonicContact NZ-OE2 3.82Å; E208-R210 HydrophobicContact CG-CG 3.95Å; E208-R210 PolarHBondContact O-N 2.87Å; E208-R210 IonicContact OE1-CZ 3.62Å; E208-R210 VanDerWaalsContact OE1-CZ 3.27Å; E208-R210 IonicContact OE1-NE 3.63Å; E208-R210 PolarHBondContact OE1-NE 2.65Å; E208-R210 IonicContact OE1-NH2 3.33Å; E208-R210 PolarHBondContact OE1-NH2 2.96Å; E208-R210 IonicContact OE2-CZ 3.96Å; E208-R210 IonicContact OE2-NE 2.69Å; E208-R210 PolarHBondContact OE2-NE 3.05Å; E208-R210 IonicContact OE2-NH2 3.19Å; E208-R210 PolarHBondContact OE2-NH2 2.99Å; E208-Y230 HydrophobicContact CB-CD1 3.92Å; E208-Y230 HydrophobicContact CB-CE1 3.63Å; E208-Y230 HydrophobicContact CG-CD1 4.17Å; E208-Y230 HydrophobicContact CG-CE1 3.51Å
209	P	94.1	Very high	91.7	Very high	21 Å²	21	47 Å²	47	14%	0.136	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	87.1	178.8	31.8	-33.9	0	0	0	110.1	I194 A207 N228 P229	I194-P209 HydrophobicContact CG2-CB 4.18Å; A207-P209 VanDerWaalsContact O-CD 3.3Å; A207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-N228 HydrophobicContact CB-CB 4.25Å; P209-N228 HydrophobicContact CG-CB 3.69Å; P209-P229 WeakPolarHBondContact CD-O 3.24Å; P209-P229 WeakPolarHBondContact CG-O 3.43Å
210	R	94.9	Very high	92.4	Very high	102 Å²	102	46 Å²	46	39%	0.385	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.9	180	-65	-177.4	173.5	-154.5	-8.7	110.6	I194 Y195 E208	I194-R210 CarbonylContact C-O 3.54Å; I194-R210 WeakPolarHBondContact CA-O 3.43Å; Y195-R210 HydrophobicContact CD1-CB 4.24Å; Y195-R210 PolarHBondContact N-O 3.41Å; Y195-R210 WeakPolarHBondContact O-CB 3.3Å; Y195-R210 PolarHBondContact O-N 3.07Å; E208-R210 HydrophobicContact CG-CG 3.95Å; E208-R210 PolarHBondContact O-N 2.87Å; E208-R210 IonicContact OE1-CZ 3.62Å; E208-R210 VanDerWaalsContact OE1-CZ 3.27Å; E208-R210 IonicContact OE1-NE 3.63Å; E208-R210 PolarHBondContact OE1-NE 2.65Å; E208-R210 IonicContact OE1-NH2 3.33Å; E208-R210 PolarHBondContact OE1-NH2 2.96Å; E208-R210 IonicContact OE2-CZ 3.96Å; E208-R210 IonicContact OE2-NE 2.69Å; E208-R210 PolarHBondContact OE2-NE 3.05Å; E208-R210 IonicContact OE2-NH2 3.19Å; E208-R210 PolarHBondContact OE2-NH2 2.99Å
211	G	94.3	Very high	93.1	Very high	21 Å²	21	49.3 Å²	49.3	22%	0.216	25%	0.247	C	C	.	.	S	Bend	trans	155	149.1	-179.2	0	0	0	0	0	111.6	S193 S227	S193-G211 WeakPolarHBondContact O-CA 2.9Å; G211-S227 PolarHBondContact O-OG 3.2Å
212	T	96.3	Very high	93.9	Very high	22 Å²	22	42 Å²	42	14%	0.135	22%	0.219	C	C	.	.			trans	-87.3	133.6	164	-46.2	0	0	0	0	108.1	G192 T225 T448 S450 E452	G192-T212 WeakPolarHBondContact CA-O 3.2Å; T212-T225 HydrophobicContact CG2-CG2 4.07Å; T212-T448 HydrophobicContact CG2-CG2 4.22Å; T212-S450 PolarHBondContact OG1-OG 2.85Å; T212-E452 WeakPolarHBondContact CB-OE1 3.36Å; T212-E452 PolarHBondContact OG1-OE1 3.06Å
213	I	98.1	Very high	94.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133	165.5	-54.7	-65.8	0	0	0	107.1	Y104 F179 F190 I194 T225 W226	Y104-I213 HydrophobicContact CE2-CD1 4.16Å; F179-I213 HydrophobicContact CE1-CD1 3.96Å; F179-I213 HydrophobicContact CZ-CD1 3.72Å; F190-I213 HydrophobicContact CD2-CG2 4.16Å; F190-I213 HydrophobicContact CE2-CG2 3.17Å; F190-I213 HydrophobicContact CZ-CG2 3.59Å; I194-I213 HydrophobicContact CD1-CD1 3.71Å; I213-T225 WeakPolarHBondContact O-CA 3.22Å; I213-W226 HydrophobicContact CB-CD2 3.94Å; I213-W226 HydrophobicContact CB-CE3 4.43Å; I213-W226 HydrophobicContact CB-CG 4.32Å; I213-W226 HydrophobicContact CB-CZ2 4.04Å; I213-W226 HydrophobicContact CG2-CD2 4.05Å; I213-W226 VanDerWaalsContact CG2-CE2 3.48Å; I213-W226 HydrophobicContact CG2-CE3 4.32Å; I213-W226 HydrophobicContact CG2-CH2 3.62Å; I213-W226 HydrophobicContact CG2-CZ2 3.28Å; I213-W226 HydrophobicContact CG2-CZ3 4.12Å; I213-W226 PolarHBondContact N-O 3.29Å; I213-W226 PolarHBondContact O-N 3.28Å
214	T	98.5	Very high	95.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.5	-179.8	-55.8	0	0	0	0	109.9	F190 H191 E216 V223 Y224 T225 N445	F190-T214 WeakPolarHBondContact CA-O 3.24Å; H191-T214 PolarHBondContact N-O 3.08Å; H191-T214 WeakPolarHBondContact NE2-CG2 3.41Å; H191-T214 PolarHBondContact O-N 3.35Å; T214-E216 HydrophobicContact CG2-CG 4.18Å; T214-V223 HydrophobicContact CG2-CG1 3.65Å; T214-Y224 CarbonylContact C-O 3.58Å; T214-Y224 WeakPolarHBondContact CA-O 3.34Å; T214-T225 HydrophobicContact CG2-CG2 4.24Å; T214-N445 PolarHBondContact OG1-ND2 2.93Å
215	L	98.8	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.8	171.1	175.7	66.4	0	0	0	109.1	I111 V127 F188 V189 F190 L217 V223 Y224 W226	I111-L215 HydrophobicContact CD1-CD1 3.98Å; I111-L215 HydrophobicContact CG1-CD1 4.3Å; I111-L215 HydrophobicContact CG1-CD2 4.28Å; I111-L215 HydrophobicContact CG2-CD1 3.91Å; I111-L215 HydrophobicContact CG2-CD2 4.46Å; V127-L215 HydrophobicContact CG1-CD2 4.07Å; V127-L215 HydrophobicContact CG2-CD2 3.87Å; F188-L215 HydrophobicContact CB-CD1 4.39Å; F188-L215 HydrophobicContact CD2-CD1 4.23Å; V189-L215 WeakPolarHBondContact O-CA 3.34Å; F190-L215 HydrophobicContact CB-CD1 4.05Å; F190-L215 HydrophobicContact CD2-CB 4.2Å; F190-L215 HydrophobicContact CD2-CD1 4.21Å; L215-L217 HydrophobicContact CD1-CD2 4.27Å; L215-L217 HydrophobicContact CD2-CD2 4.12Å; L215-L217 HydrophobicContact CG-CD2 4.05Å; L215-V223 WeakPolarHBondContact O-CA 3.27Å; L215-Y224 PolarHBondContact N-O 3.08Å; L215-Y224 PolarHBondContact O-N 3.26Å; L215-W226 HydrophobicContact CB-CH2 3.99Å; L215-W226 HydrophobicContact CB-CZ3 3.79Å
216	E	98.6	Very high	96.8	Very high	48 Å²	48	34.8 Å²	34.8	22%	0.224	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.9	177.5	-55.7	179.1	-140.7	0	0	108.6	F188 V189 H191 T214 L218 E222 V223	F188-E216 CarbonylContact C-O 3.58Å; F188-E216 WeakPolarHBondContact CA-O 3.27Å; F188-E216 WeakPolarHBondContact CB-O 3.45Å; V189-E216 HydrophobicContact CB-CB 4.27Å; V189-E216 PolarHBondContact N-O 3.1Å; V189-E216 PolarHBondContact O-N 3.13Å; H191-E216 IonicContact CD2-OE1 3.99Å; H191-E216 IonicContact CE1-OE1 2.81Å; H191-E216 IonicContact NE2-OE1 2.78Å; H191-E216 PolarHBondContact NE2-OE1 2.98Å; T214-E216 HydrophobicContact CG2-CG 4.18Å; E216-L218 HydrophobicContact CB-CD2 4.1Å; E216-E222 CarbonylContact C-O 3.59Å; E216-E222 WeakPolarHBondContact CA-O 3.3Å; E216-V223 HydrophobicContact CB-CG2 4.38Å; E216-V223 HydrophobicContact CG-CG1 4.17Å; E216-V223 HydrophobicContact CG-CG2 3.88Å
217	L	98.7	Very high	97.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	96.3	172.3	-55.8	-173.1	0	0	0	108.2	I111 A114 F188 L215 K219 H220 N221 E222 Y224	I111-L217 HydrophobicContact CG2-CD2 4.01Å; A114-L217 HydrophobicContact CB-CD1 3.96Å; F188-L217 HydrophobicContact CB-CD2 4.27Å; L215-L217 HydrophobicContact CD1-CD2 4.27Å; L215-L217 HydrophobicContact CD2-CD2 4.12Å; L215-L217 HydrophobicContact CG-CD2 4.05Å; L217-K219 PolarHBondContact O-N 3.03Å; L217-H220 PolarHBondContact O-N 3.15Å; L217-H220 VanDerWaalsContact O-N 3.09Å; L217-N221 PolarHBondContact O-N 2.85Å; L217-N221 VanDerWaalsContact O-N 3.09Å; L217-E222 PolarHBondContact N-O 3.08Å; L217-E222 PolarHBondContact O-N 2.99Å; L217-Y224 HydrophobicContact CD1-CD2 4.45Å; L217-Y224 HydrophobicContact CD1-CE2 3.56Å; L217-Y224 HydrophobicContact CG-CD2 4.27Å; L217-Y224 HydrophobicContact CG-CE2 3.75Å
218	L	98.1	Very high	97.4	Very high	79 Å²	79	36.8 Å²	36.8	41%	0.414	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-65.1	-39.8	-163	-61.5	-178.9	0	0	0	112.6	G186 D187 V189 E216 H220 N221	G186-L218 VanDerWaalsContact O-CD1 3.27Å; G186-L218 WeakPolarHBondContact O-CD1 3.32Å; D187-L218 PolarHBondContact O-N 3.17Å; V189-L218 HydrophobicContact CG2-CD1 3.98Å; V189-L218 HydrophobicContact CG2-CD2 4.2Å; V189-L218 HydrophobicContact CG2-CG 4.37Å; E216-L218 HydrophobicContact CB-CD2 4.1Å; L218-H220 PolarHBondContact O-N 3.07Å; L218-N221 PolarHBondContact O-N 3.13Å
219	K	96.9	Very high	97.5	Very high	152 Å²	152	35.8 Å²	35.8	66%	0.661	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-60.3	-31.7	176.9	-177.7	179.7	175.5	-174.4	0	113.3	L217	L217-K219 PolarHBondContact O-N 3.03Å
220	H	98	Very high	97.6	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.231	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-96.4	-8.8	-177.3	-60.3	-74.5	0	0	0	112.5	C115 L117 L217 L218 E222	C115-H220 PolarHBondContact O-NE2 3.27Å; L117-H220 PolarHBondContact O-CE1 2.76Å; L117-H220 PolarHBondContact O-NE2 3.14Å; L217-H220 PolarHBondContact O-N 3.15Å; L217-H220 VanDerWaalsContact O-N 3.09Å; L218-H220 PolarHBondContact O-N 3.07Å; H220-E222 HydrophobicContact CB-CB 4.22Å; H220-E222 HydrophobicContact CB-CG 3.75Å; H220-E222 PolarHBondContact O-N 3.5Å
221	N	97.8	Very high	97.6	Very high	132 Å²	132	35.1 Å²	35.1	71%	0.706	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	43.3	-170.4	-166.6	50.7	0	0	0	111.3	L217 L218 S255	L217-N221 PolarHBondContact O-N 2.85Å; L217-N221 VanDerWaalsContact O-N 3.09Å; L218-N221 PolarHBondContact O-N 3.13Å; N221-S255 PolarHBondContact O-OG 3.48Å
222	E	98.3	Very high	97.5	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.8	-178.3	-67.4	-176.1	151.8	0	0	111.6	R123 E216 L217 H220 Y224 S255 T256	R123-E222 IonicContact CZ-OE1 3.26Å; R123-E222 IonicContact CZ-OE2 3.06Å; R123-E222 IonicContact NE-OE1 2.8Å; R123-E222 IonicContact NE-OE2 2.81Å; R123-E222 PolarHBondContact NE-OE2 3.36Å; R123-E222 IonicContact NH2-OE1 3.69Å; R123-E222 PolarHBondContact NH2-OE1 3.32Å; R123-E222 IonicContact NH2-OE2 3.88Å; R123-E222 PolarHBondContact NH2-OE2 2.99Å; E216-E222 CarbonylContact C-O 3.59Å; E216-E222 WeakPolarHBondContact CA-O 3.3Å; L217-E222 PolarHBondContact N-O 3.08Å; L217-E222 PolarHBondContact O-N 2.99Å; H220-E222 HydrophobicContact CB-CB 4.22Å; H220-E222 HydrophobicContact CB-CG 3.75Å; H220-E222 PolarHBondContact O-N 3.5Å; E222-Y224 HydrophobicContact CB-CE2 3.79Å; E222-Y224 PolarHBondContact OE2-OH 3.41Å; E222-S255 WeakPolarHBondContact CA-OG 3.26Å; E222-T256 WeakPolarHBondContact OE1-CG2 3.2Å
223	V	98.5	Very high	97.2	Very high	5 Å²	5	35 Å²	35	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.9	175.9	-176.7	0	0	0	0	110.2	T214 L215 E216 T225 N253 H254 Y447	T214-V223 HydrophobicContact CG2-CG1 3.65Å; L215-V223 WeakPolarHBondContact O-CA 3.27Å; E216-V223 HydrophobicContact CB-CG2 4.38Å; E216-V223 HydrophobicContact CG-CG1 4.17Å; E216-V223 HydrophobicContact CG-CG2 3.88Å; V223-T225 HydrophobicContact CG1-CG2 4.48Å; V223-N253 WeakPolarHBondContact O-CA 3.3Å; V223-H254 PolarHBondContact O-CD2 2.98Å; V223-H254 PolarHBondContact O-N 2.73Å; V223-Y447 HydrophobicContact CB-CD1 4.33Å; V223-Y447 HydrophobicContact CB-CD2 4.27Å; V223-Y447 HydrophobicContact CB-CE1 4.01Å; V223-Y447 HydrophobicContact CB-CE2 3.96Å; V223-Y447 HydrophobicContact CB-CG 4.46Å; V223-Y447 HydrophobicContact CG1-CD1 4.48Å; V223-Y447 HydrophobicContact CG1-CD2 3.66Å; V223-Y447 HydrophobicContact CG1-CE1 4.44Å; V223-Y447 HydrophobicContact CG1-CE2 3.62Å; V223-Y447 HydrophobicContact CG1-CG 4.12Å; V223-Y447 HydrophobicContact CG2-CE1 3.91Å; V223-Y447 HydrophobicContact CG2-CE2 3.74Å; V223-Y447 VanDerWaalsContact CG2-OH 3.31Å; V223-Y447 WeakPolarHBondContact CG2-OH 3.27Å
224	Y	98.8	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.4	178.9	-58	-99.4	0	0	0	109.4	M124 V127 T214 L215 L217 E222 I251 V252 N253	M124-Y224 HydrophobicContact CE-CD1 3.98Å; M124-Y224 HydrophobicContact CE-CE1 3.84Å; M124-Y224 HydrophobicContact SD-CD1 4.21Å; M124-Y224 HydrophobicContact SD-CE1 4.15Å; V127-Y224 HydrophobicContact CB-CD1 4.39Å; V127-Y224 HydrophobicContact CG1-CD1 4.03Å; V127-Y224 HydrophobicContact CG1-CG 4.09Å; V127-Y224 HydrophobicContact CG2-CD1 4.22Å; V127-Y224 HydrophobicContact CG2-CD2 4.31Å; V127-Y224 HydrophobicContact CG2-CE1 4.1Å; V127-Y224 HydrophobicContact CG2-CE2 4.22Å; V127-Y224 HydrophobicContact CG2-CG 4.31Å; T214-Y224 CarbonylContact C-O 3.58Å; T214-Y224 WeakPolarHBondContact CA-O 3.34Å; L215-Y224 PolarHBondContact N-O 3.08Å; L215-Y224 PolarHBondContact O-N 3.26Å; L217-Y224 HydrophobicContact CD1-CD2 4.45Å; L217-Y224 HydrophobicContact CD1-CE2 3.56Å; L217-Y224 HydrophobicContact CG-CD2 4.27Å; L217-Y224 HydrophobicContact CG-CE2 3.75Å; E222-Y224 HydrophobicContact CB-CE2 3.79Å; E222-Y224 PolarHBondContact OE2-OH 3.41Å; Y224-I251 HydrophobicContact CD1-CG2 4.23Å; Y224-V252 VanDerWaalsContact CA-O 3.23Å; Y224-V252 WeakPolarHBondContact CA-O 3.18Å; Y224-N253 HydrophobicContact CD1-CB 3.84Å; Y224-N253 HydrophobicContact CE1-CB 3.64Å; Y224-N253 PolarHBondContact OH-ND2 2.86Å
225	T	98.7	Very high	96.1	Very high	9 Å²	9	37 Å²	37	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145	172.9	64.2	0	0	0	0	112.3	T212 I213 T214 V223 I251 V252 H254 T448	T212-T225 HydrophobicContact CG2-CG2 4.07Å; I213-T225 WeakPolarHBondContact O-CA 3.22Å; T214-T225 HydrophobicContact CG2-CG2 4.24Å; V223-T225 HydrophobicContact CG1-CG2 4.48Å; T225-I251 WeakPolarHBondContact O-CA 3.12Å; T225-V252 PolarHBondContact N-O 3.42Å; T225-V252 VanDerWaalsContact N-O 3.07Å; T225-V252 PolarHBondContact O-N 3.49Å; T225-H254 WeakPolarHBondContact CG2-NE2 3.37Å; T225-H254 PolarHBondContact OG1-NE2 3.3Å; T225-T448 HydrophobicContact CG2-CG2 4.03Å
226	W	98.5	Very high	95.2	Very high	9 Å²	9	37.4 Å²	37.4	3%	0.034	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	174.2	171.8	67.7	99.1	0	0	0	111.8	V127 F130 A131 F190 I213 L215 N228 V249 E250 I251	V127-W226 HydrophobicContact CG1-CZ3 4.32Å; F130-W226 HydrophobicContact CD1-CH2 4.14Å; F130-W226 HydrophobicContact CD1-CZ2 4.24Å; F130-W226 HydrophobicContact CE1-CH2 4.14Å; F130-W226 HydrophobicContact CE1-CZ2 4.16Å; A131-W226 HydrophobicContact CB-CD2 4.48Å; A131-W226 HydrophobicContact CB-CZ2 4.09Å; F190-W226 HydrophobicContact CD2-CH2 4.29Å; F190-W226 AromaticContact CE2-CH2 3.68Å; F190-W226 HydrophobicContact CE2-CH2 3.68Å; F190-W226 AromaticContact CE2-CZ2 3.82Å; F190-W226 HydrophobicContact CE2-CZ2 3.82Å; F190-W226 HydrophobicContact CZ-CZ2 4.49Å; I213-W226 HydrophobicContact CB-CD2 3.94Å; I213-W226 HydrophobicContact CB-CE3 4.43Å; I213-W226 HydrophobicContact CB-CG 4.32Å; I213-W226 HydrophobicContact CB-CZ2 4.04Å; I213-W226 HydrophobicContact CG2-CD2 4.05Å; I213-W226 VanDerWaalsContact CG2-CE2 3.48Å; I213-W226 HydrophobicContact CG2-CE3 4.32Å; I213-W226 HydrophobicContact CG2-CH2 3.62Å; I213-W226 HydrophobicContact CG2-CZ2 3.28Å; I213-W226 HydrophobicContact CG2-CZ3 4.12Å; I213-W226 PolarHBondContact N-O 3.29Å; I213-W226 PolarHBondContact O-N 3.28Å; L215-W226 HydrophobicContact CB-CH2 3.99Å; L215-W226 HydrophobicContact CB-CZ3 3.79Å; W226-N228 PolarHBondContact NE1-OD1 3.21Å; W226-V249 HydrophobicContact CB-CG1 4.13Å; W226-V249 HydrophobicContact CG-CG1 4.35Å; W226-E250 WeakPolarHBondContact CA-O 3.47Å; W226-E250 VanDerWaalsContact CB-O 3.28Å; W226-E250 WeakPolarHBondContact CB-O 3.34Å; W226-I251 HydrophobicContact CB-CB 4.4Å; W226-I251 HydrophobicContact CB-CG1 3.9Å; W226-I251 HydrophobicContact CE3-CG2 4.19Å; W226-I251 HydrophobicContact CG-CG1 4.21Å
227	S	97	Very high	94	Very high	62 Å²	62	37.8 Å²	37.8	43%	0.434	19%	0.194	S	C	.	.			trans	-119.4	151.2	166	-66.1	0	0	0	0	109.7	G211 V249	G211-S227 PolarHBondContact O-OG 3.2Å; S227-V249 WeakPolarHBondContact O-CG1 3.28Å
228	N	97.7	Very high	92.9	Very high	18 Å²	18	43.8 Å²	43.8	10%	0.096	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-76	155.3	-178.6	-76.1	-27.2	0	0	0	112.2	Y104 P209 W226	Y104-N228 VanDerWaalsContact CZ-ND2 3.29Å; Y104-N228 PolarHBondContact OH-ND2 2.93Å; P209-N228 HydrophobicContact CB-CB 4.25Å; P209-N228 HydrophobicContact CG-CB 3.69Å; W226-N228 PolarHBondContact NE1-OD1 3.21Å
229	P	97.6	Very high	91.9	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.058	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-67.8	163.5	176.3	31	-35.5	0	0	0	111.3	V135 P209 Q245 Y246 V249 F264	V135-P229 HydrophobicContact CG2-CG 4.33Å; P209-P229 WeakPolarHBondContact CD-O 3.24Å; P209-P229 WeakPolarHBondContact CG-O 3.43Å; P229-Q245 HydrophobicContact CG-CB 4.37Å; P229-Y246 WeakPolarHBondContact CB-O 3.25Å; P229-V249 HydrophobicContact CB-CG2 4.09Å; P229-V249 HydrophobicContact CG-CG2 4.35Å; P229-F264 HydrophobicContact CB-CB 4.4Å; P229-F264 HydrophobicContact CB-CD1 4.26Å; P229-F264 HydrophobicContact CB-CD2 4Å; P229-F264 HydrophobicContact CB-CE2 4.33Å; P229-F264 HydrophobicContact CB-CG 3.98Å; P229-F264 HydrophobicContact CG-CD1 4.12Å; P229-F264 HydrophobicContact CG-CD2 4.3Å; P229-F264 HydrophobicContact CG-CE1 3.98Å; P229-F264 HydrophobicContact CG-CE2 4.19Å; P229-F264 HydrophobicContact CG-CG 4.28Å; P229-F264 HydrophobicContact CG-CZ 4.01Å
230	Y	96.1	Very high	91.2	Very high	80 Å²	80	41.8 Å²	41.8	31%	0.314	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	147.4	169.1	-68.9	-96.9	0	0	0	109.9	E206 E208 Q245 Y246	E206-Y230 HydrophobicContact CG-CD1 3.95Å; E206-Y230 WeakPolarHBondContact OE1-CD1 3.45Å; E208-Y230 HydrophobicContact CB-CD1 3.92Å; E208-Y230 HydrophobicContact CB-CE1 3.63Å; E208-Y230 HydrophobicContact CG-CD1 4.17Å; E208-Y230 HydrophobicContact CG-CE1 3.51Å; Y230-Q245 WeakPolarHBondContact O-CA 3.23Å; Y230-Y246 WeakPolarHBondContact CB-O 3.28Å; Y230-Y246 HydrophobicContact CD2-CD2 4.48Å; Y230-Y246 HydrophobicContact CD2-CE2 4.4Å; Y230-Y246 HydrophobicContact CG-CD2 4.46Å; Y230-Y246 HydrophobicContact CG-CE2 4.08Å; Y230-Y246 PolarHBondContact N-O 3Å; Y230-Y246 PolarHBondContact O-N 2.81Å; Y230-Y246 VanDerWaalsContact O-N 3.13Å
231	C	94.8	Very high	90.6	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.5	172.1	177.9	0	0	0	0	108.8	E206 A207 E244 Q245	E206-C231 CarbonylContact C-O 3.53Å; A207-C231 HydrophobicContact CB-CB 4.41Å; A207-C231 PolarHBondContact N-O 3.12Å; A207-C231 PolarHBondContact O-N 2.79Å; C231-E244 CarbonylContact C-O 3.49Å; C231-E244 WeakPolarHBondContact CA-O 3.4Å; C231-Q245 HydrophobicContact CB-CG 4.49Å
232	C	92	Very high	90.2	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.02	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.6	-179.5	-172.2	0	0	0	0	110.3	V205 H234 I243 E244 Y246	V205-C232 WeakPolarHBondContact O-CA 3.47Å; C232-H234 PolarHBondContact SG-CE1 2.63Å; C232-I243 CarbonylContact O-C 3.16Å; C232-I243 WeakPolarHBondContact O-CA 3.49Å; C232-E244 HydrophobicContact CB-CB 4.4Å; C232-E244 PolarHBondContact N-O 3.01Å; C232-E244 PolarHBondContact O-N 3.45Å; C232-Y246 HydrophobicContact CB-CD1 4.49Å; C232-Y246 HydrophobicContact CB-CE1 3.64Å
233	V	89.6	Confident	89.9	Confident	36 Å²	36	35.6 Å²	35.6	22%	0.218	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.2	169.9	-170.4	0	0	0	0	107.5	S204 V205 I236 L241 W242 I243	S204-V233 CarbonylContact C-O 3.59Å; S204-V233 WeakPolarHBondContact CA-O 3.46Å; S204-V233 WeakPolarHBondContact CB-O 3.11Å; V205-V233 PolarHBondContact N-O 3.22Å; V205-V233 PolarHBondContact O-N 2.82Å; V233-I236 HydrophobicContact CB-CG2 4.26Å; V233-I236 HydrophobicContact CG1-CG2 3.93Å; V233-I236 WeakPolarHBondContact O-CG2 3.38Å; V233-L241 HydrophobicContact CG1-CD2 4.18Å; V233-W242 WeakPolarHBondContact CA-O 3.48Å; V233-I243 HydrophobicContact CG2-CG1 4.2Å
234	H	88.7	Confident	89.6	Confident	30 Å²	30	35.8 Å²	35.8	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	167.5	-178.2	-65.6	-80.1	0	0	0	111.7	S204 C232 I236 L241 W242 E244	S204-H234 PolarHBondContact OG-ND1 3.3Å; C232-H234 PolarHBondContact SG-CE1 2.63Å; H234-I236 VanDerWaalsContact C-N 3.28Å; H234-I236 PolarHBondContact O-N 3.23Å; H234-L241 WeakPolarHBondContact O-CD2 3.32Å; H234-W242 HydrophobicContact CB-CD2 3.83Å; H234-W242 HydrophobicContact CB-CG 3.97Å; H234-W242 HydrophobicContact CB-CZ2 3.84Å; H234-W242 AromaticContact CD2-CD2 3.57Å; H234-W242 AromaticContact CD2-CE2 3.39Å; H234-W242 AromaticContact CD2-CE3 3.65Å; H234-W242 AromaticContact CD2-CH2 3.32Å; H234-W242 WeakPolarHBondContact CD2-CH2 3.47Å; H234-W242 AromaticContact CD2-CZ2 3.26Å; H234-W242 WeakPolarHBondContact CD2-CZ2 3.27Å; H234-W242 AromaticContact CD2-CZ3 3.53Å; H234-W242 AromaticContact CG-CE2 3.5Å; H234-W242 VanDerWaalsContact CG-CE2 3.5Å; H234-W242 AromaticContact CG-CZ2 3.51Å; H234-W242 AromaticContact CG-NE1 3.85Å; H234-W242 PolarHBondContact N-O 3.32Å; H234-W242 AromaticContact NE2-CH2 3.44Å; H234-W242 WeakPolarHBondContact NE2-CH2 3.34Å; H234-W242 AromaticContact NE2-CZ2 3.69Å; H234-W242 AromaticContact NE2-CZ3 3.86Å; H234-E244 IonicContact CD2-OE2 3.23Å; H234-E244 IonicContact CE1-OE2 2.93Å; H234-E244 PolarHBondContact CE1-OE2 2.83Å; H234-E244 IonicContact NE2-OE2 2.82Å; H234-E244 PolarHBondContact NE2-OE2 3.23Å
235	N	85.4	Confident	89.5	Confident	16 Å²	16	36 Å²	36	9%	0.086	20%	0.196	C	C	.	.			trans	58.4	36.6	175.8	-68.1	-2.5	0	0	0	113.7	K203 I237 L238 K240 L241 D336	K203-N235 PolarHBondContact O-N 3.36Å; N235-I237 PolarHBondContact O-N 3.11Å; N235-L238 WeakPolarHBondContact CB-O 3.19Å; N235-K240 WeakPolarHBondContact CB-O 3.37Å; N235-K240 PolarHBondContact ND2-O 2.89Å; N235-L241 WeakPolarHBondContact O-CD2 3.4Å; N235-D336 PolarHBondContact ND2-O 2.84Å
236	I	79	Confident	89.4	Confident	8 Å²	8	38 Å²	38	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	-75.4	-7	-176.4	72.9	-176.1	0	0	0	113.9	I70 L74 F200 K203 V205 V233 H234 L241	I70-I236 VanDerWaalsContact CB-O 3.27Å; I70-I236 WeakPolarHBondContact CB-O 3.49Å; I70-I236 HydrophobicContact CG2-CB 4.38Å; I70-I236 WeakPolarHBondContact CG2-O 3.25Å; L74-I236 HydrophobicContact CD1-CB 3.96Å; L74-I236 HydrophobicContact CD1-CD1 3.24Å; L74-I236 HydrophobicContact CD1-CG1 3.34Å; L74-I236 HydrophobicContact CD2-CD1 4.38Å; L74-I236 HydrophobicContact CG-CD1 4.45Å; F200-I236 HydrophobicContact CD2-CD1 3.71Å; F200-I236 HydrophobicContact CE2-CD1 3.6Å; F200-I236 HydrophobicContact CE2-CG1 4.19Å; K203-I236 WeakPolarHBondContact O-CG1 3.5Å; K203-I236 PolarHBondContact O-N 2.87Å; K203-I236 VanDerWaalsContact O-N 3.07Å; V205-I236 HydrophobicContact CB-CD1 4.09Å; V205-I236 HydrophobicContact CG2-CD1 3.3Å; V233-I236 HydrophobicContact CB-CG2 4.26Å; V233-I236 HydrophobicContact CG1-CG2 3.93Å; V233-I236 WeakPolarHBondContact O-CG2 3.38Å; H234-I236 VanDerWaalsContact C-N 3.28Å; H234-I236 PolarHBondContact O-N 3.23Å; I236-L241 HydrophobicContact CB-CD2 4.25Å; I236-L241 HydrophobicContact CG2-CD2 3.89Å
237	I	73.9	Confident	89.3	Confident	55 Å²	55	38.6 Å²	38.6	28%	0.282	21%	0.212	S	C	.	.	S	Bend	trans	-102	-54	175.4	-59.6	-174	0	0	0	110.4	W71 F200 G202 N235	W71-I237 HydrophobicContact CB-CG2 4Å; W71-I237 HydrophobicContact CD2-CD1 4.01Å; W71-I237 HydrophobicContact CD2-CG1 4.09Å; W71-I237 HydrophobicContact CD2-CG2 3.88Å; W71-I237 HydrophobicContact CE3-CB 4.35Å; W71-I237 HydrophobicContact CE3-CD1 3.31Å; W71-I237 HydrophobicContact CE3-CG1 3.45Å; W71-I237 VanDerWaalsContact CE3-CG1 3.45Å; W71-I237 HydrophobicContact CE3-CG2 4.14Å; W71-I237 HydrophobicContact CG-CG2 3.85Å; W71-I237 HydrophobicContact CH2-CD1 3.81Å; W71-I237 HydrophobicContact CZ2-CD1 4.45Å; W71-I237 HydrophobicContact CZ3-CD1 3.22Å; W71-I237 HydrophobicContact CZ3-CG1 3.88Å; F200-I237 HydrophobicContact CZ-CD1 4.48Å; G202-I237 WeakPolarHBondContact O-CD1 3.34Å; N235-I237 PolarHBondContact O-N 3.11Å
238	L	76.3	Confident	89.3	Confident	127 Å²	127	39.7 Å²	39.7	67%	0.665	22%	0.216	S	C	*	.	S	Bend	trans	-144.7	143.4	-172.9	-173.4	66.8	0	0	0	108.8	N235	N235-L238 WeakPolarHBondContact CB-O 3.19Å
239	G	77.3	Confident	89.4	Confident	48 Å²	48	39 Å²	39	50%	0.495	21%	0.212	S	C	.	.	S	Bend	trans	96.9	-177.8	-179.4	0	0	0	0	0	113.6	L241	G239-L241 PolarHBondContact O-N 3.44Å
240	K	82.2	Confident	89.4	Confident	142 Å²	142	42.7 Å²	42.7	62%	0.617	23%	0.229	S	C	*	.			trans	-77.2	122.7	178.1	-176.9	-178.5	175.4	-172.2	0	109.6	N235	N235-K240 WeakPolarHBondContact CB-O 3.37Å; N235-K240 PolarHBondContact ND2-O 2.89Å
241	L	85.6	Confident	89.6	Confident	38 Å²	38	38.9 Å²	38.9	20%	0.199	21%	0.214	C	C	.	.			trans	-58.8	138.1	171.9	-66.4	172.5	0	0	0	111.1	I70 T142 V233 H234 N235 I236 G239	I70-L241 HydrophobicContact CD1-CD1 3.79Å; I70-L241 HydrophobicContact CD1-CD2 4.1Å; I70-L241 HydrophobicContact CD1-CG 4.47Å; T142-L241 HydrophobicContact CG2-CB 3.77Å; V233-L241 HydrophobicContact CG1-CD2 4.18Å; H234-L241 WeakPolarHBondContact O-CD2 3.32Å; N235-L241 WeakPolarHBondContact O-CD2 3.4Å; I236-L241 HydrophobicContact CB-CD2 4.25Å; I236-L241 HydrophobicContact CG2-CD2 3.89Å; G239-L241 PolarHBondContact O-N 3.44Å
242	W	87.9	Confident	89.7	Confident	19 Å²	19	39.5 Å²	39.5	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.5	174.3	64.4	-85.5	0	0	0	111.8	V233 H234 E244 C267 L274 M338	V233-W242 WeakPolarHBondContact CA-O 3.48Å; H234-W242 HydrophobicContact CB-CD2 3.83Å; H234-W242 HydrophobicContact CB-CG 3.97Å; H234-W242 HydrophobicContact CB-CZ2 3.84Å; H234-W242 AromaticContact CD2-CD2 3.57Å; H234-W242 AromaticContact CD2-CE2 3.39Å; H234-W242 AromaticContact CD2-CE3 3.65Å; H234-W242 AromaticContact CD2-CH2 3.32Å; H234-W242 WeakPolarHBondContact CD2-CH2 3.47Å; H234-W242 AromaticContact CD2-CZ2 3.26Å; H234-W242 WeakPolarHBondContact CD2-CZ2 3.27Å; H234-W242 AromaticContact CD2-CZ3 3.53Å; H234-W242 AromaticContact CG-CE2 3.5Å; H234-W242 VanDerWaalsContact CG-CE2 3.5Å; H234-W242 AromaticContact CG-CZ2 3.51Å; H234-W242 AromaticContact CG-NE1 3.85Å; H234-W242 PolarHBondContact N-O 3.32Å; H234-W242 AromaticContact NE2-CH2 3.44Å; H234-W242 WeakPolarHBondContact NE2-CH2 3.34Å; H234-W242 AromaticContact NE2-CZ2 3.69Å; H234-W242 AromaticContact NE2-CZ3 3.86Å; W242-E244 HydrophobicContact CE3-CB 4.17Å; W242-E244 HydrophobicContact CH2-CB 4.29Å; W242-E244 HydrophobicContact CZ3-CB 3.59Å; W242-E244 HydrophobicContact CZ3-CG 4Å; W242-C267 HydrophobicContact CH2-CB 4.29Å; W242-L274 HydrophobicContact CH2-CD1 4.3Å; W242-L274 HydrophobicContact CZ3-CD1 3.68Å; W242-M338 HydrophobicContact CB-CE 3.39Å; W242-M338 HydrophobicContact CB-CG 3.93Å; W242-M338 HydrophobicContact CB-SD 3.39Å; W242-M338 WeakPolarHBondContact CB-SD 3.26Å; W242-M338 VanDerWaalsContact CD1-CG 3.41Å; W242-M338 HydrophobicContact CD2-CE 3.84Å; W242-M338 HydrophobicContact CD2-CG 4.41Å; W242-M338 HydrophobicContact CD2-SD 3.11Å; W242-M338 HydrophobicContact CE3-CE 4.03Å; W242-M338 HydrophobicContact CE3-SD 3.79Å; W242-M338 HydrophobicContact CG-CE 3.63Å; W242-M338 HydrophobicContact CG-CG 3.73Å; W242-M338 HydrophobicContact CG-SD 2.94Å; W242-M338 HydrophobicContact CZ2-SD 4.2Å; W242-M338 PolarHBondContact NE1-SD 3.1Å
243	I	91.4	Very high	90.1	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.5	-176	-71.6	168	0	0	0	109.6	Q138 W139 R141 T142 C232 V233 W296	Q138-I243 HydrophobicContact CB-CG2 4.47Å; Q138-I243 WeakPolarHBondContact O-CD1 3.41Å; W139-I243 WeakPolarHBondContact CZ3-O 3.34Å; R141-I243 VanDerWaalsContact C-CD1 3.46Å; R141-I243 VanDerWaalsContact O-CD1 3.25Å; R141-I243 WeakPolarHBondContact O-CD1 3.18Å; T142-I243 HydrophobicContact CG2-CD1 4.21Å; T142-I243 HydrophobicContact CG2-CG1 4.24Å; C232-I243 CarbonylContact O-C 3.16Å; C232-I243 WeakPolarHBondContact O-CA 3.49Å; V233-I243 HydrophobicContact CG2-CG1 4.2Å; I243-W296 HydrophobicContact CG2-CH2 4.39Å
244	E	93.1	Very high	90.4	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.5	170.9	-165.8	-179.5	-167.4	0	0	110.1	C231 C232 H234 W242 Y246 P266 C267	C231-E244 CarbonylContact C-O 3.49Å; C231-E244 WeakPolarHBondContact CA-O 3.4Å; C232-E244 HydrophobicContact CB-CB 4.4Å; C232-E244 PolarHBondContact N-O 3.01Å; C232-E244 PolarHBondContact O-N 3.45Å; H234-E244 IonicContact CD2-OE2 3.23Å; H234-E244 IonicContact CE1-OE2 2.93Å; H234-E244 PolarHBondContact CE1-OE2 2.83Å; H234-E244 IonicContact NE2-OE2 2.82Å; H234-E244 PolarHBondContact NE2-OE2 3.23Å; W242-E244 HydrophobicContact CE3-CB 4.17Å; W242-E244 HydrophobicContact CH2-CB 4.29Å; W242-E244 HydrophobicContact CZ3-CB 3.59Å; W242-E244 HydrophobicContact CZ3-CG 4Å; E244-Y246 HydrophobicContact CG-CD1 4.22Å; E244-P266 WeakPolarHBondContact OE1-CA 3.29Å; E244-C267 WeakPolarHBondContact OE1-CB 3.41Å; E244-C267 PolarHBondContact OE1-N 3.09Å
245	Q	95.8	Very high	90.8	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.2	165.6	-64.2	179	31	0	0	110.4	V135 P229 Y230 C231 F264 W296	V135-Q245 VanDerWaalsContact CB-OE1 3.3Å; V135-Q245 PolarHBondContact O-NE2 2.86Å; P229-Q245 HydrophobicContact CG-CB 4.37Å; Y230-Q245 WeakPolarHBondContact O-CA 3.23Å; C231-Q245 HydrophobicContact CB-CG 4.49Å; Q245-F264 HydrophobicContact CB-CD1 4.24Å; Q245-W296 HydrophobicContact CB-CZ2 4.27Å; Q245-W296 HydrophobicContact CG-CH2 4.4Å; Q245-W296 HydrophobicContact CG-CZ2 4.16Å
246	Y	96.6	Very high	91.3	Very high	51 Å²	51	43.7 Å²	43.7	20%	0.2	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	168	-178.7	60.2	-100.5	0	0	0	112.7	E206 P229 Y230 C232 E244 F264	E206-Y246 PolarHBondContact OE1-OH 3.1Å; P229-Y246 WeakPolarHBondContact CB-O 3.25Å; Y230-Y246 WeakPolarHBondContact CB-O 3.28Å; Y230-Y246 HydrophobicContact CD2-CD2 4.48Å; Y230-Y246 HydrophobicContact CD2-CE2 4.4Å; Y230-Y246 HydrophobicContact CG-CD2 4.46Å; Y230-Y246 HydrophobicContact CG-CE2 4.08Å; Y230-Y246 PolarHBondContact N-O 3Å; Y230-Y246 PolarHBondContact O-N 2.81Å; Y230-Y246 VanDerWaalsContact O-N 3.13Å; C232-Y246 HydrophobicContact CB-CD1 4.49Å; C232-Y246 HydrophobicContact CB-CE1 3.64Å; E244-Y246 HydrophobicContact CG-CD1 4.22Å; Y246-F264 VanDerWaalsContact CA-O 3.3Å; Y246-F264 WeakPolarHBondContact CA-O 3.43Å
247	G	97.2	Very high	92.1	Very high	22 Å²	22	45.1 Å²	45.1	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.3	179.6	179.3	0	0	0	0	0	112.7	F264	G247-F264 PolarHBondContact N-O 2.95Å; G247-F264 PolarHBondContact O-N 3.26Å
248	T	98.1	Very high	93.3	Very high	85 Å²	85	43.4 Å²	43.4	52%	0.521	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.5	-179.2	-59.3	0	0	0	0	109.8	E250 V261 L262 N263	T248-E250 HydrophobicContact CG2-CG 4.11Å; T248-V261 HydrophobicContact CG2-CG1 3.76Å; T248-L262 CarbonylContact C-O 3.5Å; T248-L262 WeakPolarHBondContact CA-O 3.39Å; T248-N263 PolarHBondContact OG1-OD1 3.24Å
249	V	98.6	Very high	94.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.2	171.2	174.5	0	0	0	0	108	W226 S227 P229 I251 L262 F264	W226-V249 HydrophobicContact CB-CG1 4.13Å; W226-V249 HydrophobicContact CG-CG1 4.35Å; S227-V249 WeakPolarHBondContact O-CG1 3.28Å; P229-V249 HydrophobicContact CB-CG2 4.09Å; P229-V249 HydrophobicContact CG-CG2 4.35Å; V249-I251 HydrophobicContact CG1-CG1 4.2Å; V249-L262 HydrophobicContact CB-CB 4.28Å; V249-L262 PolarHBondContact N-O 2.89Å; V249-L262 PolarHBondContact O-N 2.78Å; V249-F264 HydrophobicContact CB-CE2 4.13Å; V249-F264 HydrophobicContact CG2-CD2 3.91Å; V249-F264 HydrophobicContact CG2-CE2 3.56Å
250	E	98.4	Very high	95.4	Very high	85 Å²	85	37.2 Å²	37.2	40%	0.397	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.1	173.4	-59.6	-158.4	152.4	0	0	109.7	W226 T248 K259 C260 V261	W226-E250 WeakPolarHBondContact CA-O 3.47Å; W226-E250 VanDerWaalsContact CB-O 3.28Å; W226-E250 WeakPolarHBondContact CB-O 3.34Å; T248-E250 HydrophobicContact CG2-CG 4.11Å; E250-K259 IonicContact OE1-NZ 2.85Å; E250-K259 PolarHBondContact OE1-NZ 2.63Å; E250-K259 IonicContact OE2-NZ 3.81Å; E250-K259 PolarHBondContact OE2-NZ 2.96Å; E250-C260 WeakPolarHBondContact CA-O 3.2Å; E250-V261 HydrophobicContact CG-CG2 4.4Å
251	I	98.8	Very high	96.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.2	174.7	-49.8	168.4	0	0	0	107.4	M124 V127 A128 A131 Y224 T225 W226 V249 K259 C260 L262	M124-I251 HydrophobicContact SD-CB 4.28Å; M124-I251 HydrophobicContact SD-CG2 3.96Å; V127-I251 HydrophobicContact CG1-CG2 3.91Å; A128-I251 HydrophobicContact CB-CD1 3.95Å; A131-I251 HydrophobicContact CB-CD1 3.78Å; Y224-I251 HydrophobicContact CD1-CG2 4.23Å; T225-I251 WeakPolarHBondContact O-CA 3.12Å; W226-I251 HydrophobicContact CB-CB 4.4Å; W226-I251 HydrophobicContact CB-CG1 3.9Å; W226-I251 HydrophobicContact CE3-CG2 4.19Å; W226-I251 HydrophobicContact CG-CG1 4.21Å; V249-I251 HydrophobicContact CG1-CG1 4.2Å; I251-K259 CarbonylContact O-C 3.57Å; I251-K259 WeakPolarHBondContact O-CA 3.45Å; I251-C260 HydrophobicContact CB-CB 4.15Å; I251-C260 HydrophobicContact CD1-CB 4.42Å; I251-C260 PolarHBondContact N-O 2.79Å; I251-C260 PolarHBondContact O-N 3.03Å; I251-L262 HydrophobicContact CD1-CD1 4.07Å
252	V	98.6	Very high	96.8	Very high	43 Å²	43	29 Å²	29	26%	0.261	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.7	-178.6	-179.3	0	0	0	0	108.8	Y224 T225 K259	Y224-V252 VanDerWaalsContact CA-O 3.23Å; Y224-V252 WeakPolarHBondContact CA-O 3.18Å; T225-V252 PolarHBondContact N-O 3.42Å; T225-V252 VanDerWaalsContact N-O 3.07Å; T225-V252 PolarHBondContact O-N 3.49Å; V252-K259 HydrophobicContact CG2-CD 4.2Å; V252-K259 HydrophobicContact CG2-CG 4.18Å
253	N	98.6	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.8	165.4	-176.9	-18.4	0	0	0	108.4	M124 V223 Y224 S255 T256 G257 E258	M124-N253 HydrophobicContact CE-CB 3.61Å; V223-N253 WeakPolarHBondContact O-CA 3.3Å; Y224-N253 HydrophobicContact CD1-CB 3.84Å; Y224-N253 HydrophobicContact CE1-CB 3.64Å; Y224-N253 PolarHBondContact OH-ND2 2.86Å; N253-S255 PolarHBondContact O-N 3.13Å; N253-S255 WeakPolarHBondContact OD1-CB 3.28Å; N253-S255 PolarHBondContact OD1-N 2.88Å; N253-T256 WeakPolarHBondContact CB-OG1 3.35Å; N253-T256 PolarHBondContact ND2-OG1 3.14Å; N253-T256 PolarHBondContact OD1-N 2.85Å; N253-G257 WeakPolarHBondContact O-CA 3.13Å; N253-G257 PolarHBondContact O-N 2.8Å; N253-E258 HydrophobicContact CB-CB 4.38Å; N253-E258 PolarHBondContact N-O 2.86Å
254	H	97.9	Very high	97.6	Very high	65 Å²	65	30.2 Å²	30.2	30%	0.301	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.2	-177	-67.3	-81.7	0	0	0	113.4	V223 T225 Y447	V223-H254 PolarHBondContact O-CD2 2.98Å; V223-H254 PolarHBondContact O-N 2.73Å; T225-H254 WeakPolarHBondContact CG2-NE2 3.37Å; T225-H254 PolarHBondContact OG1-NE2 3.3Å; H254-Y447 HydrophobicContact CB-CD1 3.82Å; H254-Y447 HydrophobicContact CB-CG 4.44Å
255	S	96.1	Very high	97.7	Very high	63 Å²	63	32.6 Å²	32.6	44%	0.441	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-36.9	-178.5	-61.6	0	0	0	0	112.7	N221 E222 N253	N221-S255 PolarHBondContact O-OG 3.48Å; E222-S255 WeakPolarHBondContact CA-OG 3.26Å; N253-S255 PolarHBondContact O-N 3.13Å; N253-S255 WeakPolarHBondContact OD1-CB 3.28Å; N253-S255 PolarHBondContact OD1-N 2.88Å
256	T	96	Very high	97.5	Very high	45 Å²	45	35.9 Å²	35.9	28%	0.276	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-21.1	-179.6	65.3	0	0	0	0	113.7	E222 N253 E258	E222-T256 WeakPolarHBondContact OE1-CG2 3.2Å; N253-T256 WeakPolarHBondContact CB-OG1 3.35Å; N253-T256 PolarHBondContact ND2-OG1 3.14Å; N253-T256 PolarHBondContact OD1-N 2.85Å; T256-E258 VanDerWaalsContact C-N 3.28Å; T256-E258 WeakPolarHBondContact OG1-CB 3.42Å; T256-E258 WeakPolarHBondContact OG1-CG 3.35Å; T256-E258 PolarHBondContact OG1-N 3Å; T256-E258 PolarHBondContact OG1-OE2 3.32Å
257	G	96.4	Very high	96.9	Very high	38 Å²	38	34.2 Å²	34.2	39%	0.392	20%	0.203	S	C	.	.			trans	78.7	8	-173	0	0	0	0	0	114.2	N253	N253-G257 WeakPolarHBondContact O-CA 3.13Å; N253-G257 PolarHBondContact O-N 2.8Å
258	E	98.3	Very high	96	Very high	18 Å²	18	35.6 Å²	35.6	8%	0.084	22%	0.217	C	C	.	.			trans	-70	148.6	172.9	-67	153.8	170.8	0	0	111.1	S120 I121 M124 N253 T256 Q282	S120-E258 WeakPolarHBondContact CB-OE1 3.3Å; S120-E258 WeakPolarHBondContact CB-OE2 3.4Å; S120-E258 PolarHBondContact OG-OE1 2.82Å; I121-E258 VanDerWaalsContact CD1-CD 3.48Å; I121-E258 HydrophobicContact CD1-CG 3.91Å; I121-E258 WeakPolarHBondContact CD1-OE1 3.19Å; M124-E258 HydrophobicContact CE-CB 3.97Å; N253-E258 HydrophobicContact CB-CB 4.38Å; N253-E258 PolarHBondContact N-O 2.86Å; T256-E258 VanDerWaalsContact C-N 3.28Å; T256-E258 WeakPolarHBondContact OG1-CB 3.42Å; T256-E258 WeakPolarHBondContact OG1-CG 3.35Å; T256-E258 PolarHBondContact OG1-N 3Å; T256-E258 PolarHBondContact OG1-OE2 3.32Å; E258-Q282 WeakPolarHBondContact CA-O 3.3Å
259	K	98.6	Very high	94.6	Very high	46 Å²	46	39.3 Å²	39.3	20%	0.2	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.7	177.9	-167.1	172	86.4	156.8	0	111.1	E250 I251 V252 V261 I281 Q282	E250-K259 IonicContact OE1-NZ 2.85Å; E250-K259 PolarHBondContact OE1-NZ 2.63Å; E250-K259 IonicContact OE2-NZ 3.81Å; E250-K259 PolarHBondContact OE2-NZ 2.96Å; I251-K259 CarbonylContact O-C 3.57Å; I251-K259 WeakPolarHBondContact O-CA 3.45Å; V252-K259 HydrophobicContact CG2-CD 4.2Å; V252-K259 HydrophobicContact CG2-CG 4.18Å; K259-V261 HydrophobicContact CD-CG2 4.39Å; K259-V261 VanDerWaalsContact CE-CG2 3.45Å; K259-V261 HydrophobicContact CG-CG2 4.35Å; K259-I281 WeakPolarHBondContact O-CA 3.01Å; K259-Q282 HydrophobicContact CB-CG 4Å; K259-Q282 PolarHBondContact N-O 3.07Å; K259-Q282 WeakPolarHBondContact O-CG 3.37Å; K259-Q282 PolarHBondContact O-N 2.82Å
260	C	98.8	Very high	93.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.7	165.7	-178.7	0	0	0	0	109.5	M124 E250 I251 Y280 I281	M124-C260 HydrophobicContact CG-CB 3.91Å; M124-C260 HydrophobicContact SD-CB 3.66Å; E250-C260 WeakPolarHBondContact CA-O 3.2Å; I251-C260 HydrophobicContact CB-CB 4.15Å; I251-C260 HydrophobicContact CD1-CB 4.42Å; I251-C260 PolarHBondContact N-O 2.79Å; I251-C260 PolarHBondContact O-N 3.03Å; C260-Y280 WeakPolarHBondContact CA-O 3.31Å; C260-I281 HydrophobicContact CB-CG1 3.97Å
261	V	98.7	Very high	92.3	Very high	7 Å²	7	43 Å²	43	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.8	174.9	-178.2	0	0	0	0	108.2	T248 E250 K259 G279 Y280	T248-V261 HydrophobicContact CG2-CG1 3.76Å; E250-V261 HydrophobicContact CG-CG2 4.4Å; K259-V261 HydrophobicContact CD-CG2 4.39Å; K259-V261 VanDerWaalsContact CE-CG2 3.45Å; K259-V261 HydrophobicContact CG-CG2 4.35Å; V261-G279 CarbonylContact O-C 3.46Å; V261-G279 WeakPolarHBondContact O-CA 3.21Å; V261-Y280 HydrophobicContact CB-CE1 4.29Å; V261-Y280 HydrophobicContact CB-CE2 4.39Å; V261-Y280 HydrophobicContact CG2-CE2 4.26Å; V261-Y280 PolarHBondContact N-O 3.14Å; V261-Y280 PolarHBondContact O-N 2.78Å
262	L	98.8	Very high	91.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.4	178.6	-61.2	170.1	0	0	0	109.2	A128 V132 T248 V249 I251 F264 V277 I292	A128-L262 HydrophobicContact CB-CD1 4.32Å; V132-L262 HydrophobicContact CG2-CD1 3.77Å; T248-L262 CarbonylContact C-O 3.5Å; T248-L262 WeakPolarHBondContact CA-O 3.39Å; V249-L262 HydrophobicContact CB-CB 4.28Å; V249-L262 PolarHBondContact N-O 2.89Å; V249-L262 PolarHBondContact O-N 2.78Å; I251-L262 HydrophobicContact CD1-CD1 4.07Å; L262-F264 HydrophobicContact CB-CE2 4.28Å; L262-V277 HydrophobicContact CB-CG1 4.19Å; L262-V277 HydrophobicContact CD2-CG1 4.27Å; L262-I292 HydrophobicContact CD2-CB 4.13Å; L262-I292 HydrophobicContact CD2-CD1 4.16Å; L262-I292 HydrophobicContact CD2-CG2 3.8Å
263	N	98.3	Very high	90.7	Very high	45 Å²	45	48.5 Å²	48.5	24%	0.241	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.2	176.7	-54.5	-77.8	0	0	0	108.7	T248 K265 V277 E278	T248-N263 PolarHBondContact OG1-OD1 3.24Å; N263-K265 PolarHBondContact O-N 3.01Å; N263-V277 WeakPolarHBondContact O-CA 3.3Å; N263-E278 WeakPolarHBondContact CA-O 3.48Å; N263-E278 VanDerWaalsContact CB-O 3.3Å; N263-E278 WeakPolarHBondContact CB-O 3.01Å; N263-E278 PolarHBondContact N-O 3.04Å; N263-E278 PolarHBondContact ND2-O 3.25Å; N263-E278 PolarHBondContact O-N 3.29Å
264	F	97.9	Very high	90.3	Very high	5 Å²	5	48.9 Å²	48.9	2%	0.022	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	108.9	167.8	-69.3	-109.5	0	0	0	106.9	V132 V135 P229 Q245 Y246 G247 V249 L262 V277 W296	V132-F264 HydrophobicContact CG2-CZ 3.97Å; V135-F264 HydrophobicContact CG2-CE1 4.2Å; V135-F264 HydrophobicContact CG2-CZ 4.36Å; P229-F264 HydrophobicContact CB-CB 4.4Å; P229-F264 HydrophobicContact CB-CD1 4.26Å; P229-F264 HydrophobicContact CB-CD2 4Å; P229-F264 HydrophobicContact CB-CE2 4.33Å; P229-F264 HydrophobicContact CB-CG 3.98Å; P229-F264 HydrophobicContact CG-CD1 4.12Å; P229-F264 HydrophobicContact CG-CD2 4.3Å; P229-F264 HydrophobicContact CG-CE1 3.98Å; P229-F264 HydrophobicContact CG-CE2 4.19Å; P229-F264 HydrophobicContact CG-CG 4.28Å; P229-F264 HydrophobicContact CG-CZ 4.01Å; Q245-F264 HydrophobicContact CB-CD1 4.24Å; Y246-F264 VanDerWaalsContact CA-O 3.3Å; Y246-F264 WeakPolarHBondContact CA-O 3.43Å; G247-F264 PolarHBondContact N-O 2.95Å; G247-F264 PolarHBondContact O-N 3.26Å; V249-F264 HydrophobicContact CB-CE2 4.13Å; V249-F264 HydrophobicContact CG2-CD2 3.91Å; V249-F264 HydrophobicContact CG2-CE2 3.56Å; L262-F264 HydrophobicContact CB-CE2 4.28Å; F264-V277 HydrophobicContact CD1-CG2 3.68Å; F264-V277 HydrophobicContact CD2-CG1 4.47Å; F264-V277 HydrophobicContact CE1-CG2 3.79Å; F264-V277 HydrophobicContact CE2-CG1 4.38Å; F264-V277 HydrophobicContact CG-CG2 4.1Å; F264-V277 HydrophobicContact CZ-CG2 4.27Å; F264-W296 HydrophobicContact CD1-CB 4.36Å; F264-W296 AromaticContact CD1-CD1 3.84Å; F264-W296 HydrophobicContact CD1-CG 4.25Å; F264-W296 HydrophobicContact CE1-CB 3.9Å; F264-W296 HydrophobicContact CE1-CG 4.19Å
265	K	95.1	Very high	90	Very high	58 Å²	58	46.3 Å²	46.3	25%	0.252	26%	0.258	S	S	.	.			trans	-75.6	131.8	-173.2	-58.6	-69	-174.2	169.9	0	109.2	N263 E273 K276 E278	N263-K265 PolarHBondContact O-N 3.01Å; K265-E273 HydrophobicContact CB-CB 3.89Å; K265-K276 HydrophobicContact CB-CB 4.17Å; K265-K276 HydrophobicContact CG-CB 3.96Å; K265-K276 PolarHBondContact N-O 2.88Å; K265-E278 IonicContact NZ-OE2 2.71Å
266	P	91.8	Very high	90	Very high	74 Å²	74	46 Å²	46	48%	0.481	25%	0.249	S	C	.	.			trans	-64.8	150.9	163.9	31	-33.8	0	0	0	108.8	E244 G268 E273	E244-P266 WeakPolarHBondContact OE1-CA 3.29Å; P266-G268 PolarHBondContact O-N 3.37Å; P266-E273 VanDerWaalsContact O-CB 3.31Å; P266-E273 WeakPolarHBondContact O-CB 3.2Å
267	C	84.8	Confident	90.1	Very high	15 Å²	15	44 Å²	44	10%	0.101	24%	0.236	C	C	.	.			trans	-48.1	-35.9	-178.4	179.1	0	0	0	0	112.1	W242 E244 G271 E273 L274	W242-C267 HydrophobicContact CH2-CB 4.29Å; E244-C267 WeakPolarHBondContact OE1-CB 3.41Å; E244-C267 PolarHBondContact OE1-N 3.09Å; C267-G271 CarbonylContact O-C 3.57Å; C267-G271 WeakPolarHBondContact O-CA 3.45Å; C267-G271 VanDerWaalsContact SG-CA 3.52Å; C267-E273 PolarHBondContact O-N 2.75Å; C267-L274 HydrophobicContact CB-CD1 3.91Å
268	G	78.4	Confident	90.1	Very high	51 Å²	51	44.2 Å²	44.2	53%	0.526	23%	0.227	S	C	.	.			trans	68.3	-179.1	178.5	0	0	0	0	0	112.6	P266 F270 G271	P266-G268 PolarHBondContact O-N 3.37Å; G268-F270 PolarHBondContact O-N 3.08Å; G268-G271 PolarHBondContact O-N 3.45Å
269	M	68.6	Low	90.1	Very high	163 Å²	163	43.7 Å²	43.7	80%	0.803	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-65.3	134.6	171.4	-61.5	-174.6	-61.1	0	0	109	G271	M269-G271 VanDerWaalsContact C-N 3.29Å; M269-G271 PolarHBondContact O-N 2.84Å
270	F	70.4	Confident	90.1	Very high	164 Å²	164	44.3 Å²	44.3	72%	0.719	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	69.5	11.1	-180	-42.4	-75.8	0	0	0	116.4	G268 K272	G268-F270 PolarHBondContact O-N 3.08Å; F270-K272 PolarHBondContact O-N 2.74Å
271	G	76.9	Confident	90.1	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	68.2	6.2	171.7	0	0	0	0	0	117.2	C267 G268 M269 E273 L274 Q342	C267-G271 CarbonylContact O-C 3.57Å; C267-G271 WeakPolarHBondContact O-CA 3.45Å; C267-G271 VanDerWaalsContact SG-CA 3.52Å; G268-G271 PolarHBondContact O-N 3.45Å; M269-G271 VanDerWaalsContact C-N 3.29Å; M269-G271 PolarHBondContact O-N 2.84Å; G271-E273 PolarHBondContact O-N 3.31Å; G271-L274 WeakPolarHBondContact O-CB 3.36Å; G271-L274 PolarHBondContact O-N 3.02Å; G271-L274 VanDerWaalsContact O-N 3.15Å; G271-Q342 PolarHBondContact O-NE2 3.34Å; G271-Q342 VanDerWaalsContact O-NE2 3.1Å; G271-Q342 PolarHBondContact O-OE1 3.44Å
272	K	79.3	Confident	90	Very high	98 Å²	98	45.1 Å²	45.1	43%	0.426	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.3	-176.6	-68.1	-166.5	179.7	-169.1	0	115.2	F270 K276 E326 Q342	F270-K272 PolarHBondContact O-N 2.74Å; K272-K276 WeakPolarHBondContact O-CE 3.44Å; K272-K276 PolarHBondContact O-NZ 3.07Å; K272-E326 IonicContact NZ-OE2 2.71Å; K272-E326 PolarHBondContact NZ-OE2 3.17Å; K272-Q342 PolarHBondContact O-OE1 2.68Å; K272-Q342 VanDerWaalsContact O-OE1 3.11Å
273	E	86	Confident	90	Very high	59 Å²	59	46.7 Å²	46.7	28%	0.276	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	7	-174.9	-62.3	-62.5	119.1	0	0	112.9	K265 P266 C267 G271 H275 K276	K265-E273 HydrophobicContact CB-CB 3.89Å; P266-E273 VanDerWaalsContact O-CB 3.31Å; P266-E273 WeakPolarHBondContact O-CB 3.2Å; C267-E273 PolarHBondContact O-N 2.75Å; G271-E273 PolarHBondContact O-N 3.31Å; E273-H275 PolarHBondContact O-N 3.4Å; E273-H275 VanDerWaalsContact O-N 3.14Å; E273-K276 WeakPolarHBondContact O-CB 3.24Å; E273-K276 PolarHBondContact O-N 3.16Å; E273-K276 IonicContact OE1-NZ 3.87Å; E273-K276 PolarHBondContact OE1-NZ 3.35Å; E273-K276 WeakPolarHBondContact OE2-CD 3.27Å; E273-K276 IonicContact OE2-NZ 2.94Å
274	L	88.7	Confident	89.8	Confident	9 Å²	9	51.9 Å²	51.9	5%	0.047	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	122.1	-176	-174.9	66.5	0	0	0	111.3	W242 C267 G271 K276 P339	W242-L274 HydrophobicContact CH2-CD1 4.3Å; W242-L274 HydrophobicContact CZ3-CD1 3.68Å; C267-L274 HydrophobicContact CB-CD1 3.91Å; G271-L274 WeakPolarHBondContact O-CB 3.36Å; G271-L274 PolarHBondContact O-N 3.02Å; G271-L274 VanDerWaalsContact O-N 3.15Å; L274-K276 PolarHBondContact O-N 2.82Å; L274-K276 VanDerWaalsContact O-N 3.14Å; L274-P339 HydrophobicContact CD2-CG 4.24Å
275	H	92.8	Very high	89.7	Confident	11 Å²	11	57.4 Å²	57.4	5%	0.051	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	3.5	-179.6	-47	154.4	0	0	0	116.7	W139 E273 V277 K295 W296 T297	W139-H275 AromaticContact CD2-CE1 3.96Å; W139-H275 AromaticContact CE3-CE1 3.4Å; W139-H275 AromaticContact CE3-NE2 3.6Å; W139-H275 AromaticContact CH2-CE1 3.56Å; W139-H275 AromaticContact CZ3-CE1 3.19Å; W139-H275 WeakPolarHBondContact CZ3-CE1 3.45Å; W139-H275 AromaticContact CZ3-NE2 3.3Å; W139-H275 VanDerWaalsContact CZ3-NE2 3.3Å; W139-H275 WeakPolarHBondContact CZ3-NE2 3.26Å; E273-H275 PolarHBondContact O-N 3.4Å; E273-H275 VanDerWaalsContact O-N 3.14Å; H275-V277 PolarHBondContact O-N 3.48Å; H275-K295 HydrophobicContact CB-CB 4.38Å; H275-K295 HydrophobicContact CB-CG 4.39Å; H275-K295 WeakPolarHBondContact O-CA 3.38Å; H275-W296 HydrophobicContact CB-CG 4.45Å; H275-W296 AromaticContact CD2-CE2 3.73Å; H275-W296 AromaticContact CD2-CZ2 3.46Å; H275-W296 VanDerWaalsContact CD2-CZ2 3.46Å; H275-W296 WeakPolarHBondContact CD2-CZ2 3.26Å; H275-W296 AromaticContact CD2-NE1 3.72Å; H275-W296 AromaticContact CG-CE2 3.91Å; H275-W296 AromaticContact CG-CZ2 3.98Å; H275-W296 AromaticContact CG-NE1 3.84Å; H275-W296 AromaticContact NE2-CZ2 3.87Å; H275-W296 PolarHBondContact O-N 3.28Å; H275-W296 VanDerWaalsContact O-N 3.1Å; H275-T297 HydrophobicContact CB-CG2 4.05Å; H275-T297 VanDerWaalsContact ND1-CG2 3.29Å; H275-T297 WeakPolarHBondContact ND1-CG2 3.46Å; H275-T297 PolarHBondContact ND1-OG1 3.02Å
276	K	95.4	Very high	89.7	Confident	57 Å²	57	62.5 Å²	62.5	25%	0.248	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.7	-179.6	-70.5	-171.9	-170.1	164.7	0	110.8	K265 K272 E273 L274 G294 K295	K265-K276 HydrophobicContact CB-CB 4.17Å; K265-K276 HydrophobicContact CG-CB 3.96Å; K265-K276 PolarHBondContact N-O 2.88Å; K272-K276 WeakPolarHBondContact O-CE 3.44Å; K272-K276 PolarHBondContact O-NZ 3.07Å; E273-K276 WeakPolarHBondContact O-CB 3.24Å; E273-K276 PolarHBondContact O-N 3.16Å; E273-K276 IonicContact OE1-NZ 3.87Å; E273-K276 PolarHBondContact OE1-NZ 3.35Å; E273-K276 WeakPolarHBondContact OE2-CD 3.27Å; E273-K276 IonicContact OE2-NZ 2.94Å; L274-K276 PolarHBondContact O-N 2.82Å; L274-K276 VanDerWaalsContact O-N 3.14Å; K276-G294 WeakPolarHBondContact CA-O 3.5Å; K276-K295 HydrophobicContact CG-CG 4.33Å
277	V	97.4	Very high	90	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.1	168.7	-176.1	0	0	0	0	107.1	V132 L262 N263 F264 H275 Y293 G294 W296	V132-V277 HydrophobicContact CG2-CG1 4.39Å; L262-V277 HydrophobicContact CB-CG1 4.19Å; L262-V277 HydrophobicContact CD2-CG1 4.27Å; N263-V277 WeakPolarHBondContact O-CA 3.3Å; F264-V277 HydrophobicContact CD1-CG2 3.68Å; F264-V277 HydrophobicContact CD2-CG1 4.47Å; F264-V277 HydrophobicContact CE1-CG2 3.79Å; F264-V277 HydrophobicContact CE2-CG1 4.38Å; F264-V277 HydrophobicContact CG-CG2 4.1Å; F264-V277 HydrophobicContact CZ-CG2 4.27Å; H275-V277 PolarHBondContact O-N 3.48Å; V277-Y293 CarbonylContact O-C 3.43Å; V277-Y293 VanDerWaalsContact O-CA 3.24Å; V277-Y293 WeakPolarHBondContact O-CA 3.34Å; V277-G294 PolarHBondContact N-O 3.23Å; V277-G294 PolarHBondContact O-N 3.17Å; V277-W296 HydrophobicContact CG2-CB 3.87Å; V277-W296 HydrophobicContact CG2-CG 4.42Å
278	E	96.9	Very high	90.6	Very high	43 Å²	43	69.8 Å²	69.8	20%	0.201	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.3	174.7	-69.7	-169.7	148.8	0	0	110.6	N263 K265 I292 Y308 K312	N263-E278 WeakPolarHBondContact CA-O 3.48Å; N263-E278 VanDerWaalsContact CB-O 3.3Å; N263-E278 WeakPolarHBondContact CB-O 3.01Å; N263-E278 PolarHBondContact N-O 3.04Å; N263-E278 PolarHBondContact ND2-O 3.25Å; N263-E278 PolarHBondContact O-N 3.29Å; K265-E278 IonicContact NZ-OE2 2.71Å; E278-I292 CarbonylContact C-O 3.6Å; E278-I292 WeakPolarHBondContact CA-O 3.46Å; E278-Y308 PolarHBondContact OE1-OH 3.33Å; E278-Y308 VanDerWaalsContact OE1-OH 3.08Å; E278-K312 IonicContact OE1-NZ 2.77Å; E278-K312 PolarHBondContact OE1-NZ 3.28Å; E278-K312 IonicContact OE2-NZ 3.76Å; E278-K312 PolarHBondContact OE2-NZ 2.93Å
279	G	97.9	Very high	91.5	Very high	7 Å²	7	69.8 Å²	69.8	7%	0.072	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-171.6	-170.6	0	0	0	0	0	113.8	V261 I292	V261-G279 CarbonylContact O-C 3.46Å; V261-G279 WeakPolarHBondContact O-CA 3.21Å; G279-I292 PolarHBondContact N-O 3.46Å; G279-I292 PolarHBondContact O-N 3.07Å
280	Y	98.6	Very high	92.9	Very high	59 Å²	59	62.7 Å²	62.7	23%	0.231	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	154.7	177.1	54.4	-87.8	0	0	0	111	C260 V261 Q282 K288 C290	C260-Y280 WeakPolarHBondContact CA-O 3.31Å; V261-Y280 HydrophobicContact CB-CE1 4.29Å; V261-Y280 HydrophobicContact CB-CE2 4.39Å; V261-Y280 HydrophobicContact CG2-CE2 4.26Å; V261-Y280 PolarHBondContact N-O 3.14Å; V261-Y280 PolarHBondContact O-N 2.78Å; Y280-Q282 HydrophobicContact CD2-CB 4.35Å; Y280-Q282 HydrophobicContact CE2-CB 4.47Å; Y280-Q282 HydrophobicContact CE2-CG 4.37Å; Y280-K288 HydrophobicContact CD1-CD 4.46Å; Y280-K288 HydrophobicContact CD2-CD 4.04Å; Y280-K288 HydrophobicContact CD2-CG 3.79Å; Y280-K288 HydrophobicContact CE2-CG 4.28Å; Y280-K288 HydrophobicContact CG-CD 4.02Å; Y280-K288 HydrophobicContact CG-CG 4.21Å; Y280-C290 CarbonylContact C-O 3.57Å; Y280-C290 WeakPolarHBondContact CA-O 3.4Å; Y280-C290 WeakPolarHBondContact CB-O 3.37Å
281	I	98.8	Very high	94.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.6	167.3	-60.9	168.9	0	0	0	107.9	I121 M124 Q125 K259 C260 K288 L289 C290 I292	I121-I281 HydrophobicContact CD1-CG2 4.14Å; I121-I281 HydrophobicContact CG2-CD1 4.47Å; I121-I281 HydrophobicContact CG2-CG2 4.37Å; M124-I281 HydrophobicContact CB-CD1 4.12Å; M124-I281 HydrophobicContact CB-CG2 4.45Å; M124-I281 HydrophobicContact CG-CD1 3.76Å; M124-I281 HydrophobicContact CG-CG1 3.89Å; M124-I281 HydrophobicContact CG-CG2 3.87Å; Q125-I281 HydrophobicContact CB-CD1 4.25Å; Q125-I281 HydrophobicContact CG-CD1 3.41Å; Q125-I281 VanDerWaalsContact CG-CD1 3.41Å; K259-I281 WeakPolarHBondContact O-CA 3.01Å; C260-I281 HydrophobicContact CB-CG1 3.97Å; I281-K288 WeakPolarHBondContact O-CA 3.5Å; I281-L289 PolarHBondContact O-N 3Å; I281-C290 HydrophobicContact CB-CB 4.37Å; I281-C290 HydrophobicContact CD1-CB 4.42Å; I281-C290 PolarHBondContact N-O 3.03Å; I281-C290 PolarHBondContact O-N 3.22Å; I281-I292 HydrophobicContact CD1-CD1 3.93Å; I281-I292 HydrophobicContact CG1-CD1 3.86Å
282	Q	98.2	Very high	95.3	Very high	25 Å²	25	55.3 Å²	55.3	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.7	175.3	60.6	172.4	39.6	0	0	111.8	E258 K259 Y280 K287	E258-Q282 WeakPolarHBondContact CA-O 3.3Å; K259-Q282 HydrophobicContact CB-CG 4Å; K259-Q282 PolarHBondContact N-O 3.07Å; K259-Q282 WeakPolarHBondContact O-CG 3.37Å; K259-Q282 PolarHBondContact O-N 2.82Å; Y280-Q282 HydrophobicContact CD2-CB 4.35Å; Y280-Q282 HydrophobicContact CE2-CB 4.47Å; Y280-Q282 HydrophobicContact CE2-CG 4.37Å; Q282-K287 WeakPolarHBondContact CA-O 3.33Å; Q282-K287 WeakPolarHBondContact CB-O 3.39Å
283	D	96.7	Very high	96.1	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.171	24%	0.238	C	C	.	.			trans	-76.1	177.6	170.4	70.7	10.7	0	0	0	112.1	N285 K286 K287 L289	D283-N285 PolarHBondContact O-N 2.9Å; D283-N285 VanDerWaalsContact O-N 3.12Å; D283-N285 VanDerWaalsContact OD1-C 3.23Å; D283-N285 VanDerWaalsContact OD1-CA 3.24Å; D283-N285 WeakPolarHBondContact OD1-CA 3.47Å; D283-N285 WeakPolarHBondContact OD1-CB 3.32Å; D283-N285 PolarHBondContact OD1-N 3.25Å; D283-K286 PolarHBondContact O-N 2.91Å; D283-K286 PolarHBondContact OD1-N 3.32Å; D283-K287 PolarHBondContact N-O 3.49Å; D283-K287 WeakPolarHBondContact OD1-CB 3.31Å; D283-K287 PolarHBondContact OD1-N 3.36Å; D283-L289 HydrophobicContact CB-CD1 4.01Å
284	K	95	Very high	96.7	Very high	155 Å²	155	48.6 Å²	48.6	67%	0.674	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.7	174.9	68	-177.5	-179.3	-176.5	0	114.5	K286	K284-K286 VanDerWaalsContact C-N 3.3Å
285	N	96.1	Very high	97	Very high	120 Å²	120	48.8 Å²	48.8	64%	0.642	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	8.4	177.3	-55.5	-50.2	0	0	0	112.2	D283 K287	D283-N285 PolarHBondContact O-N 2.9Å; D283-N285 VanDerWaalsContact O-N 3.12Å; D283-N285 VanDerWaalsContact OD1-C 3.23Å; D283-N285 VanDerWaalsContact OD1-CA 3.24Å; D283-N285 WeakPolarHBondContact OD1-CA 3.47Å; D283-N285 WeakPolarHBondContact OD1-CB 3.32Å; D283-N285 PolarHBondContact OD1-N 3.25Å; N285-K287 PolarHBondContact O-N 3.13Å
286	K	95.9	Very high	97.2	Very high	165 Å²	165	48.2 Å²	48.2	72%	0.717	23%	0.225	S	C	*	.			trans	63.8	19.3	-177	-49.9	179.6	-179.8	179.4	0	113.7	D283 K284 K288	D283-K286 PolarHBondContact O-N 2.91Å; D283-K286 PolarHBondContact OD1-N 3.32Å; K284-K286 VanDerWaalsContact C-N 3.3Å; K286-K288 PolarHBondContact O-N 2.87Å
287	K	97.3	Very high	97.1	Very high	137 Å²	137	46.4 Å²	46.4	60%	0.596	22%	0.218	S	C	*	.			trans	-76	124.1	171.2	-176.5	-172.7	174	-170.5	0	108.4	Q282 D283 N285 L289	Q282-K287 WeakPolarHBondContact CA-O 3.33Å; Q282-K287 WeakPolarHBondContact CB-O 3.39Å; D283-K287 PolarHBondContact N-O 3.49Å; D283-K287 WeakPolarHBondContact OD1-CB 3.31Å; D283-K287 PolarHBondContact OD1-N 3.36Å; N285-K287 PolarHBondContact O-N 3.13Å; K287-L289 HydrophobicContact CD-CD2 4.16Å; K287-L289 HydrophobicContact CG-CD2 4.36Å; K287-L289 PolarHBondContact O-N 3.24Å
288	K	97.6	Very high	97	Very high	106 Å²	106	48 Å²	48	46%	0.461	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	128.5	173.4	-63.9	-174.7	179.5	-179.8	0	110	Y280 I281 K286 P305	Y280-K288 HydrophobicContact CD1-CD 4.46Å; Y280-K288 HydrophobicContact CD2-CD 4.04Å; Y280-K288 HydrophobicContact CD2-CG 3.79Å; Y280-K288 HydrophobicContact CE2-CG 4.28Å; Y280-K288 HydrophobicContact CG-CD 4.02Å; Y280-K288 HydrophobicContact CG-CG 4.21Å; I281-K288 WeakPolarHBondContact O-CA 3.5Å; K286-K288 PolarHBondContact O-N 2.87Å; K288-P305 HydrophobicContact CB-CG 4.29Å
289	L	97.9	Very high	97	Very high	51 Å²	51	46.2 Å²	46.2	27%	0.267	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-34.5	-177.8	-61	179.1	0	0	0	112.1	I121 I281 D283 K287 P305	I121-L289 HydrophobicContact CD1-CD1 3.34Å; I121-L289 HydrophobicContact CG1-CD1 3.84Å; I281-L289 PolarHBondContact O-N 3Å; D283-L289 HydrophobicContact CB-CD1 4.01Å; K287-L289 HydrophobicContact CD-CD2 4.16Å; K287-L289 HydrophobicContact CG-CD2 4.36Å; K287-L289 PolarHBondContact O-N 3.24Å; L289-P305 WeakPolarHBondContact O-CD 3.43Å
290	C	97.1	Very high	97	Very high	14 Å²	14	46 Å²	46	10%	0.095	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.1	177.2	-52.2	0	0	0	0	109.8	Q125 Y280 I281	Q125-C290 PolarHBondContact NE2-SG 3.37Å; Y280-C290 CarbonylContact C-O 3.57Å; Y280-C290 WeakPolarHBondContact CA-O 3.4Å; Y280-C290 WeakPolarHBondContact CB-O 3.37Å; I281-C290 HydrophobicContact CB-CB 4.37Å; I281-C290 HydrophobicContact CD1-CB 4.42Å; I281-C290 PolarHBondContact N-O 3.03Å; I281-C290 PolarHBondContact O-N 3.22Å
291	V	98.3	Very high	97	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.1	163.8	171.3	0	0	0	0	108.4	S302 I303 P305 Y308	V291-S302 VanDerWaalsContact O-CA 3.26Å; V291-S302 WeakPolarHBondContact O-CA 3.2Å; V291-I303 HydrophobicContact CB-CG2 4.04Å; V291-I303 HydrophobicContact CG1-CG2 4.39Å; V291-I303 PolarHBondContact N-O 3.32Å; V291-I303 PolarHBondContact O-N 3.02Å; V291-P305 HydrophobicContact CG2-CB 4.09Å; V291-P305 HydrophobicContact CG2-CG 4.28Å; V291-Y308 HydrophobicContact CB-CD1 4.29Å; V291-Y308 HydrophobicContact CB-CG 4.2Å; V291-Y308 HydrophobicContact CG1-CD1 3.7Å; V291-Y308 HydrophobicContact CG1-CD2 4.04Å; V291-Y308 HydrophobicContact CG1-CE1 3.74Å; V291-Y308 HydrophobicContact CG1-CE2 4.09Å; V291-Y308 HydrophobicContact CG1-CG 3.82Å; V291-Y308 HydrophobicContact CG2-CD1 4.09Å; V291-Y308 HydrophobicContact CG2-CG 4.3Å
292	I	98.3	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134	174.1	-64	176.8	0	0	0	108.2	A128 L262 E278 G279 I281 M300 W301	A128-I292 HydrophobicContact CB-CD1 3.84Å; L262-I292 HydrophobicContact CD2-CB 4.13Å; L262-I292 HydrophobicContact CD2-CD1 4.16Å; L262-I292 HydrophobicContact CD2-CG2 3.8Å; E278-I292 CarbonylContact C-O 3.6Å; E278-I292 WeakPolarHBondContact CA-O 3.46Å; G279-I292 PolarHBondContact N-O 3.46Å; G279-I292 PolarHBondContact O-N 3.07Å; I281-I292 HydrophobicContact CD1-CD1 3.93Å; I281-I292 HydrophobicContact CG1-CD1 3.86Å; I292-M300 HydrophobicContact CD1-CE 4.42Å; I292-M300 HydrophobicContact CG2-CE 3.76Å; I292-M300 HydrophobicContact CG2-CG 3.54Å; I292-M300 HydrophobicContact CG2-SD 3.57Å; I292-M300 VanDerWaalsContact CG2-SD 3.57Å; I292-W301 WeakPolarHBondContact CA-O 3.29Å
293	Y	97.9	Very high	97	Very high	11 Å²	11	44 Å²	44	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.5	176	74.5	-82.7	0	0	0	112.2	V277 W301 I303 Y308 V345 V348 S351	V277-Y293 CarbonylContact O-C 3.43Å; V277-Y293 VanDerWaalsContact O-CA 3.24Å; V277-Y293 WeakPolarHBondContact O-CA 3.34Å; Y293-W301 HydrophobicContact CD1-CB 4.14Å; Y293-W301 HydrophobicContact CE1-CB 3.62Å; Y293-W301 HydrophobicContact CE2-CB 4.14Å; Y293-W301 HydrophobicContact CE2-CG 4.33Å; Y293-W301 PolarHBondContact N-O 3.43Å; Y293-W301 PolarHBondContact O-N 3.28Å; Y293-I303 HydrophobicContact CD1-CG2 4.22Å; Y293-I303 HydrophobicContact CE1-CG2 3.98Å; Y293-Y308 HydrophobicContact CD1-CD2 4.35Å; Y293-Y308 AromaticContact CD1-CE2 3.87Å; Y293-Y308 HydrophobicContact CD1-CE2 3.87Å; Y293-Y308 HydrophobicContact CE1-CE2 4.33Å; Y293-Y308 HydrophobicContact CG-CE2 4.11Å; Y293-V345 HydrophobicContact CD2-CG1 3.99Å; Y293-V345 HydrophobicContact CE2-CG1 3.76Å; Y293-V348 HydrophobicContact CE1-CG2 4.29Å; Y293-V348 HydrophobicContact CE2-CG2 4.37Å; Y293-V348 PolarHBondContact OH-N 3.38Å; Y293-S351 WeakPolarHBondContact OH-CB 3.36Å; Y293-S351 PolarHBondContact OH-OG 2.88Å
294	G	96.9	Very high	97	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-157.7	178.9	0	0	0	0	0	113.2	K276 V277 C299	K276-G294 WeakPolarHBondContact CA-O 3.5Å; V277-G294 PolarHBondContact N-O 3.23Å; V277-G294 PolarHBondContact O-N 3.17Å; G294-C299 CarbonylContact C-O 3.43Å; G294-C299 VanDerWaalsContact CA-O 3.28Å; G294-C299 WeakPolarHBondContact CA-O 3.23Å
295	K	96.1	Very high	97.1	Very high	12 Å²	12	39.6 Å²	39.6	5%	0.052	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.8	169.8	-78.4	173.7	-178.1	-178.6	0	108.7	H275 K276 T297 E298 C299 Q342 E343 V345	H275-K295 HydrophobicContact CB-CB 4.38Å; H275-K295 HydrophobicContact CB-CG 4.39Å; H275-K295 WeakPolarHBondContact O-CA 3.38Å; K276-K295 HydrophobicContact CG-CG 4.33Å; K295-T297 PolarHBondContact O-N 2.7Å; K295-E298 HydrophobicContact CB-CB 4.17Å; K295-E298 HydrophobicContact CB-CG 4.3Å; K295-E298 HydrophobicContact CD-CG 4.33Å; K295-E298 WeakPolarHBondContact CD-OE1 3.3Å; K295-E298 IonicContact NZ-OE1 3.09Å; K295-E298 PolarHBondContact NZ-OE1 3.3Å; K295-E298 PolarHBondContact O-N 2.93Å; K295-C299 PolarHBondContact N-O 2.94Å; K295-C299 PolarHBondContact O-N 3.01Å; K295-C299 VanDerWaalsContact O-O 3.07Å; K295-Q342 PolarHBondContact NZ-O 3.02Å; K295-Q342 VanDerWaalsContact NZ-O 3.14Å; K295-E343 PolarHBondContact NZ-O 3.29Å; K295-V345 HydrophobicContact CB-CG2 3.85Å; K295-V345 HydrophobicContact CD-CG2 3.76Å; K295-V345 HydrophobicContact CG-CG2 3.58Å
296	W	96.2	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13	-178.3	64.9	-99.2	0	0	0	113.2	V132 A136 W139 I243 Q245 F264 H275 V277 W355	V132-W296 HydrophobicContact CG1-CB 3.9Å; A136-W296 VanDerWaalsContact CB-O 3.26Å; A136-W296 WeakPolarHBondContact CB-O 3.36Å; W139-W296 HydrophobicContact CB-CH2 3.96Å; W139-W296 HydrophobicContact CB-CZ3 3.8Å; W139-W296 HydrophobicContact CE3-CH2 4.18Å; I243-W296 HydrophobicContact CG2-CH2 4.39Å; Q245-W296 HydrophobicContact CB-CZ2 4.27Å; Q245-W296 HydrophobicContact CG-CH2 4.4Å; Q245-W296 HydrophobicContact CG-CZ2 4.16Å; F264-W296 HydrophobicContact CD1-CB 4.36Å; F264-W296 AromaticContact CD1-CD1 3.84Å; F264-W296 HydrophobicContact CD1-CG 4.25Å; F264-W296 HydrophobicContact CE1-CB 3.9Å; F264-W296 HydrophobicContact CE1-CG 4.19Å; H275-W296 HydrophobicContact CB-CG 4.45Å; H275-W296 AromaticContact CD2-CE2 3.73Å; H275-W296 AromaticContact CD2-CZ2 3.46Å; H275-W296 VanDerWaalsContact CD2-CZ2 3.46Å; H275-W296 WeakPolarHBondContact CD2-CZ2 3.26Å; H275-W296 AromaticContact CD2-NE1 3.72Å; H275-W296 AromaticContact CG-CE2 3.91Å; H275-W296 AromaticContact CG-CZ2 3.98Å; H275-W296 AromaticContact CG-NE1 3.84Å; H275-W296 AromaticContact NE2-CZ2 3.87Å; H275-W296 PolarHBondContact O-N 3.28Å; H275-W296 VanDerWaalsContact O-N 3.1Å; V277-W296 HydrophobicContact CG2-CB 3.87Å; V277-W296 HydrophobicContact CG2-CG 4.42Å; W296-W355 VanDerWaalsContact O-CH2 3.3Å; W296-W355 WeakPolarHBondContact O-CH2 3.27Å
297	T	94.9	Very high	97.1	Very high	18 Å²	18	37.8 Å²	37.8	11%	0.11	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.8	173.6	57.3	0	0	0	0	114.3	W139 H275 K295 I357	W139-T297 HydrophobicContact CB-CG2 3.82Å; W139-T297 HydrophobicContact CD2-CG2 4.06Å; W139-T297 HydrophobicContact CE3-CG2 4.32Å; W139-T297 HydrophobicContact CG-CG2 3.81Å; H275-T297 HydrophobicContact CB-CG2 4.05Å; H275-T297 VanDerWaalsContact ND1-CG2 3.29Å; H275-T297 WeakPolarHBondContact ND1-CG2 3.46Å; H275-T297 PolarHBondContact ND1-OG1 3.02Å; K295-T297 PolarHBondContact O-N 2.7Å; T297-I357 WeakPolarHBondContact O-CG2 3.27Å
298	E	94.8	Very high	96.9	Very high	36 Å²	36	32 Å²	32	17%	0.168	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-65.8	-171.4	-64.2	175.8	-152.3	0	0	112.8	K295 T344 V345 R356 I357	K295-E298 HydrophobicContact CB-CB 4.17Å; K295-E298 HydrophobicContact CB-CG 4.3Å; K295-E298 HydrophobicContact CD-CG 4.33Å; K295-E298 WeakPolarHBondContact CD-OE1 3.3Å; K295-E298 IonicContact NZ-OE1 3.09Å; K295-E298 PolarHBondContact NZ-OE1 3.3Å; K295-E298 PolarHBondContact O-N 2.93Å; E298-T344 WeakPolarHBondContact OE2-CA 3.49Å; E298-V345 PolarHBondContact OE2-N 3.07Å; E298-R356 WeakPolarHBondContact O-CA 3.45Å; E298-I357 WeakPolarHBondContact O-CG2 3.3Å; E298-I357 PolarHBondContact O-N 3.47Å
299	C	96.6	Very high	96.7	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.034	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	165.8	-170	61	0	0	0	0	112.7	G294 K295 W301 L353 W355 R356	G294-C299 CarbonylContact C-O 3.43Å; G294-C299 VanDerWaalsContact CA-O 3.28Å; G294-C299 WeakPolarHBondContact CA-O 3.23Å; K295-C299 PolarHBondContact N-O 2.94Å; K295-C299 PolarHBondContact O-N 3.01Å; K295-C299 VanDerWaalsContact O-O 3.07Å; C299-W301 PolarHBondContact SG-NE1 2.85Å; C299-L353 HydrophobicContact CB-CD1 4.31Å; C299-W355 CarbonylContact C-O 3.51Å; C299-W355 WeakPolarHBondContact CA-O 3.31Å; C299-W355 VanDerWaalsContact CB-O 3.28Å; C299-W355 WeakPolarHBondContact CB-O 3.22Å; C299-R356 HydrophobicContact CB-CB 4.27Å; C299-R356 HydrophobicContact CB-CG 4.36Å
300	M	97.9	Very high	96.5	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136.7	176	-161.1	176.5	90.8	0	0	110.9	A128 A129 V132 I292 L354 W355	A128-M300 HydrophobicContact CB-CE 4.11Å; A129-M300 HydrophobicContact CB-CE 3.61Å; A129-M300 VanDerWaalsContact N-CE 3.28Å; V132-M300 HydrophobicContact CB-SD 4.04Å; V132-M300 HydrophobicContact CG1-SD 4.48Å; V132-M300 HydrophobicContact CG2-SD 3.65Å; I292-M300 HydrophobicContact CD1-CE 4.42Å; I292-M300 HydrophobicContact CG2-CE 3.76Å; I292-M300 HydrophobicContact CG2-CG 3.54Å; I292-M300 HydrophobicContact CG2-SD 3.57Å; I292-M300 VanDerWaalsContact CG2-SD 3.57Å; M300-L354 HydrophobicContact CE-CB 3.98Å; M300-L354 HydrophobicContact CE-CD1 3.42Å; M300-L354 VanDerWaalsContact CE-CD1 3.42Å; M300-L354 HydrophobicContact CE-CG 4.35Å; M300-L354 WeakPolarHBondContact O-CB 3.48Å; M300-L354 PolarHBondContact O-N 3.3Å; M300-W355 HydrophobicContact CB-CB 4.5Å; M300-W355 HydrophobicContact CB-CE3 4.01Å; M300-W355 PolarHBondContact N-O 3.41Å; M300-W355 PolarHBondContact O-N 2.69Å
301	W	98.4	Very high	96.2	Very high	31 Å²	31	36.9 Å²	36.9	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.5	-176.6	-62.4	88.8	0	0	0	110.8	I292 Y293 C299 V347 T352 L353	I292-W301 WeakPolarHBondContact CA-O 3.29Å; Y293-W301 HydrophobicContact CD1-CB 4.14Å; Y293-W301 HydrophobicContact CE1-CB 3.62Å; Y293-W301 HydrophobicContact CE2-CB 4.14Å; Y293-W301 HydrophobicContact CE2-CG 4.33Å; Y293-W301 PolarHBondContact N-O 3.43Å; Y293-W301 PolarHBondContact O-N 3.28Å; C299-W301 PolarHBondContact SG-NE1 2.85Å; W301-V347 HydrophobicContact CD2-CG1 4.12Å; W301-V347 HydrophobicContact CE3-CG1 3.99Å; W301-V347 HydrophobicContact CH2-CG1 3.92Å; W301-V347 HydrophobicContact CH2-CG2 4.11Å; W301-V347 HydrophobicContact CZ2-CB 4.45Å; W301-V347 HydrophobicContact CZ2-CG1 4.03Å; W301-V347 HydrophobicContact CZ2-CG2 3.5Å; W301-V347 HydrophobicContact CZ3-CG1 3.9Å; W301-T352 CarbonylContact C-O 3.39Å; W301-T352 WeakPolarHBondContact CA-O 3.31Å; W301-L353 HydrophobicContact CD2-CB 4.48Å; W301-L353 HydrophobicContact CD2-CD1 3.99Å; W301-L353 VanDerWaalsContact CE3-CA 3.48Å; W301-L353 HydrophobicContact CE3-CB 3.87Å; W301-L353 HydrophobicContact CE3-CD1 4.23Å; W301-L353 HydrophobicContact CH2-CB 3.94Å; W301-L353 HydrophobicContact CH2-CD1 3.98Å; W301-L353 HydrophobicContact CH2-CG 4.42Å; W301-L353 HydrophobicContact CZ2-CD1 3.72Å; W301-L353 HydrophobicContact CZ3-CB 3.57Å; W301-L353 HydrophobicContact CZ3-CD1 4.22Å; W301-L353 HydrophobicContact CZ3-CG 4.46Å
302	S	98.3	Very high	95.7	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.3	171.2	175	0	0	0	0	111	Q125 V291 S351 T352	Q125-S302 PolarHBondContact NE2-OG 2.97Å; V291-S302 VanDerWaalsContact O-CA 3.26Å; V291-S302 WeakPolarHBondContact O-CA 3.2Å; S302-S351 CarbonylContact O-C 3.49Å; S302-S351 WeakPolarHBondContact O-CA 3.37Å; S302-T352 PolarHBondContact N-O 3.37Å; S302-T352 PolarHBondContact O-N 2.97Å
303	I	98	Very high	95.3	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.2	179.5	-173.7	168.7	0	0	0	110.4	V291 Y293 E307 Y308 V348	V291-I303 HydrophobicContact CB-CG2 4.04Å; V291-I303 HydrophobicContact CG1-CG2 4.39Å; V291-I303 PolarHBondContact N-O 3.32Å; V291-I303 PolarHBondContact O-N 3.02Å; Y293-I303 HydrophobicContact CD1-CG2 4.22Å; Y293-I303 HydrophobicContact CE1-CG2 3.98Å; I303-E307 HydrophobicContact CD1-CB 3.95Å; I303-E307 HydrophobicContact CG1-CB 4.08Å; I303-Y308 HydrophobicContact CG2-CD2 3.7Å; I303-Y308 HydrophobicContact CG2-CG 4.08Å; I303-V348 HydrophobicContact CD1-CB 3.9Å; I303-V348 HydrophobicContact CD1-CG1 3.44Å; I303-V348 VanDerWaalsContact CD1-CG1 3.44Å
304	D	97.4	Very high	94.6	Very high	73 Å²	73	48.5 Å²	48.5	39%	0.39	24%	0.237	S	C	.	.			trans	-58.6	136.4	170.8	180	-91.9	0	0	0	111.2	Q306 E307 Y308	D304-Q306 VanDerWaalsContact C-N 3.29Å; D304-Q306 PolarHBondContact O-N 3.33Å; D304-Q306 WeakPolarHBondContact OD1-CA 3.43Å; D304-Q306 WeakPolarHBondContact OD1-CB 2.99Å; D304-Q306 PolarHBondContact OD1-N 2.95Å; D304-E307 HydrophobicContact CB-CB 4.4Å; D304-E307 HydrophobicContact CB-CG 4.17Å; D304-E307 PolarHBondContact O-N 3.12Å; D304-E307 PolarHBondContact OD1-N 3.31Å; D304-Y308 PolarHBondContact O-N 3.02Å; D304-Y308 VanDerWaalsContact O-N 3.11Å
305	P	96.9	Very high	93.8	Very high	23 Å²	23	52.7 Å²	52.7	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-33.7	-179.1	-25.9	34.8	0	0	0	114.9	K288 L289 V291 E309	K288-P305 HydrophobicContact CB-CG 4.29Å; L289-P305 WeakPolarHBondContact O-CD 3.43Å; V291-P305 HydrophobicContact CG2-CB 4.09Å; V291-P305 HydrophobicContact CG2-CG 4.28Å; P305-E309 WeakPolarHBondContact O-CG 3.46Å; P305-E309 PolarHBondContact O-N 3.05Å; P305-E309 VanDerWaalsContact O-N 3.17Å
306	Q	95.5	Very high	92.7	Very high	149 Å²	149	59.3 Å²	59.3	70%	0.696	29%	0.287	S	S	*	.	H	α-helix	trans	-71.7	-44.1	-179.1	-54.7	-175	6.5	0	0	110.9	D304 Y308 E309 I310	D304-Q306 VanDerWaalsContact C-N 3.29Å; D304-Q306 PolarHBondContact O-N 3.33Å; D304-Q306 WeakPolarHBondContact OD1-CA 3.43Å; D304-Q306 WeakPolarHBondContact OD1-CB 2.99Å; D304-Q306 PolarHBondContact OD1-N 2.95Å; Q306-Y308 VanDerWaalsContact C-N 3.32Å; Q306-Y308 PolarHBondContact O-N 2.68Å; Q306-E309 PolarHBondContact O-N 3Å; Q306-I310 VanDerWaalsContact O-CG1 3.31Å; Q306-I310 WeakPolarHBondContact O-CG1 3.3Å; Q306-I310 PolarHBondContact O-N 2.93Å
307	E	95.6	Very high	91	Very high	98 Å²	98	67.4 Å²	67.4	46%	0.458	32%	0.322	S	S	.	.	H	α-helix	trans	-61.1	-42.4	176.9	-65.3	-171	161.8	0	0	111.5	I303 D304 E309 I310 Y311	I303-E307 HydrophobicContact CD1-CB 3.95Å; I303-E307 HydrophobicContact CG1-CB 4.08Å; D304-E307 HydrophobicContact CB-CB 4.4Å; D304-E307 HydrophobicContact CB-CG 4.17Å; D304-E307 PolarHBondContact O-N 3.12Å; D304-E307 PolarHBondContact OD1-N 3.31Å; E307-E309 PolarHBondContact O-N 3.01Å; E307-I310 PolarHBondContact O-N 3.1Å; E307-Y311 PolarHBondContact O-N 2.93Å
308	Y	94.7	Very high	89.2	Confident	15 Å²	15	68.5 Å²	68.5	6%	0.059	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-41.2	177.3	-169.8	-104.7	0	0	0	113.2	E278 V291 Y293 I303 D304 Q306 Y311 K312 V348	E278-Y308 PolarHBondContact OE1-OH 3.33Å; E278-Y308 VanDerWaalsContact OE1-OH 3.08Å; V291-Y308 HydrophobicContact CB-CD1 4.29Å; V291-Y308 HydrophobicContact CB-CG 4.2Å; V291-Y308 HydrophobicContact CG1-CD1 3.7Å; V291-Y308 HydrophobicContact CG1-CD2 4.04Å; V291-Y308 HydrophobicContact CG1-CE1 3.74Å; V291-Y308 HydrophobicContact CG1-CE2 4.09Å; V291-Y308 HydrophobicContact CG1-CG 3.82Å; V291-Y308 HydrophobicContact CG2-CD1 4.09Å; V291-Y308 HydrophobicContact CG2-CG 4.3Å; Y293-Y308 HydrophobicContact CD1-CD2 4.35Å; Y293-Y308 AromaticContact CD1-CE2 3.87Å; Y293-Y308 HydrophobicContact CD1-CE2 3.87Å; Y293-Y308 HydrophobicContact CE1-CE2 4.33Å; Y293-Y308 HydrophobicContact CG-CE2 4.11Å; I303-Y308 HydrophobicContact CG2-CD2 3.7Å; I303-Y308 HydrophobicContact CG2-CG 4.08Å; D304-Y308 PolarHBondContact O-N 3.02Å; D304-Y308 VanDerWaalsContact O-N 3.11Å; Q306-Y308 VanDerWaalsContact C-N 3.32Å; Q306-Y308 PolarHBondContact O-N 2.68Å; Y308-Y311 PolarHBondContact O-N 3.1Å; Y308-K312 HydrophobicContact CD1-CD 4.21Å; Y308-K312 HydrophobicContact CD1-CG 4.48Å; Y308-K312 HydrophobicContact CE1-CD 3.53Å; Y308-K312 VanDerWaalsContact CE1-CE 3.46Å; Y308-K312 HydrophobicContact CE1-CG 4.09Å; Y308-K312 VanDerWaalsContact CZ-CE 3.48Å; Y308-K312 PolarHBondContact O-N 2.86Å; Y308-K312 WeakPolarHBondContact OH-CE 3.36Å; Y308-K312 PolarHBondContact OH-NZ 2.8Å; Y308-V348 HydrophobicContact CD2-CG2 4.18Å; Y308-V348 HydrophobicContact CE2-CG2 4.2Å
309	E	92.8	Very high	87.3	Confident	93 Å²	93	71.1 Å²	71.1	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-35.6	177	-75.3	-62.7	152.4	0	0	112.6	P305 Q306 E307 K313	P305-E309 WeakPolarHBondContact O-CG 3.46Å; P305-E309 PolarHBondContact O-N 3.05Å; P305-E309 VanDerWaalsContact O-N 3.17Å; Q306-E309 PolarHBondContact O-N 3Å; E307-E309 PolarHBondContact O-N 3.01Å; E309-K313 VanDerWaalsContact O-CG 3.29Å; E309-K313 WeakPolarHBondContact O-CG 3.21Å; E309-K313 PolarHBondContact O-N 3.08Å; E309-K313 VanDerWaalsContact O-N 3.17Å
310	I	93.4	Very high	85.1	Confident	116 Å²	116	79.3 Å²	79.3	60%	0.595	39%	0.388	S	S	*	.	H	α-helix	trans	-61.4	-47.5	173	-68.8	164.6	0	0	0	109.6	Q306 E307 K313 S314	Q306-I310 VanDerWaalsContact O-CG1 3.31Å; Q306-I310 WeakPolarHBondContact O-CG1 3.3Å; Q306-I310 PolarHBondContact O-N 2.93Å; E307-I310 PolarHBondContact O-N 3.1Å; I310-K313 PolarHBondContact O-N 2.8Å; I310-S314 PolarHBondContact O-N 3.23Å; I310-S314 VanDerWaalsContact O-N 3.13Å; I310-S314 PolarHBondContact O-OG 3.28Å
311	Y	91.1	Very high	82.6	Confident	65 Å²	65	84.1 Å²	84.1	26%	0.255	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-49	178.2	179.5	-94.5	0	0	0	112.8	E307 Y308 K313 S314 D315 V348	E307-Y311 PolarHBondContact O-N 2.93Å; Y308-Y311 PolarHBondContact O-N 3.1Å; Y311-K313 PolarHBondContact O-N 2.86Å; Y311-K313 VanDerWaalsContact O-N 3.17Å; Y311-S314 WeakPolarHBondContact CA-OG 3.08Å; Y311-S314 PolarHBondContact O-N 3.31Å; Y311-S314 VanDerWaalsContact O-N 3.11Å; Y311-S314 PolarHBondContact O-OG 3.14Å; Y311-D315 WeakPolarHBondContact O-CB 3.42Å; Y311-D315 PolarHBondContact O-N 3.01Å; Y311-V348 HydrophobicContact CD1-CB 4.44Å; Y311-V348 HydrophobicContact CD1-CG1 4.06Å; Y311-V348 HydrophobicContact CD1-CG2 3.58Å; Y311-V348 HydrophobicContact CD2-CG1 3.82Å; Y311-V348 HydrophobicContact CD2-CG2 4.46Å; Y311-V348 HydrophobicContact CE1-CG2 3.68Å; Y311-V348 HydrophobicContact CE2-CG1 4.47Å; Y311-V348 HydrophobicContact CG-CB 4.37Å; Y311-V348 HydrophobicContact CG-CG1 3.57Å; Y311-V348 HydrophobicContact CG-CG2 4Å
312	K	87.8	Confident	80.1	Confident	62 Å²	62	89.5 Å²	89.5	27%	0.27	45%	0.446	S	S	.	.	H	α-helix	trans	-59.6	-29.7	178.1	-89.6	-166.2	166.3	169.4	0	112.7	E278 Y308 K316	E278-K312 IonicContact OE1-NZ 2.77Å; E278-K312 PolarHBondContact OE1-NZ 3.28Å; E278-K312 IonicContact OE2-NZ 3.76Å; E278-K312 PolarHBondContact OE2-NZ 2.93Å; Y308-K312 HydrophobicContact CD1-CD 4.21Å; Y308-K312 HydrophobicContact CD1-CG 4.48Å; Y308-K312 HydrophobicContact CE1-CD 3.53Å; Y308-K312 VanDerWaalsContact CE1-CE 3.46Å; Y308-K312 HydrophobicContact CE1-CG 4.09Å; Y308-K312 VanDerWaalsContact CZ-CE 3.48Å; Y308-K312 PolarHBondContact O-N 2.86Å; Y308-K312 WeakPolarHBondContact OH-CE 3.36Å; Y308-K312 PolarHBondContact OH-NZ 2.8Å; K312-K316 WeakPolarHBondContact O-CG 3.37Å; K312-K316 PolarHBondContact O-N 3.25Å
313	K	89.4	Confident	77.5	Confident	137 Å²	137	96.4 Å²	96.4	60%	0.596	48%	0.475	S	S	*	.	H	α-helix	trans	-76.4	-36.7	175.9	-73.6	171.3	-173.2	171	0	113	E309 I310 Y311	E309-K313 VanDerWaalsContact O-CG 3.29Å; E309-K313 WeakPolarHBondContact O-CG 3.21Å; E309-K313 PolarHBondContact O-N 3.08Å; E309-K313 VanDerWaalsContact O-N 3.17Å; I310-K313 PolarHBondContact O-N 2.8Å; Y311-K313 PolarHBondContact O-N 2.86Å; Y311-K313 VanDerWaalsContact O-N 3.17Å
314	S	84.6	Confident	74.8	Confident	69 Å²	69	103 Å²	103	48%	0.483	51%	0.511	S	S	.	.	H	α-helix	trans	-69.5	-40.5	175.4	49.4	0	0	0	0	111.9	I310 Y311 K317 G318	I310-S314 PolarHBondContact O-N 3.23Å; I310-S314 VanDerWaalsContact O-N 3.13Å; I310-S314 PolarHBondContact O-OG 3.28Å; Y311-S314 WeakPolarHBondContact CA-OG 3.08Å; Y311-S314 PolarHBondContact O-N 3.31Å; Y311-S314 VanDerWaalsContact O-N 3.11Å; Y311-S314 PolarHBondContact O-OG 3.14Å; S314-K317 WeakPolarHBondContact O-CB 3.44Å; S314-K317 PolarHBondContact O-N 3.12Å; S314-K317 VanDerWaalsContact O-N 3.1Å; S314-G318 PolarHBondContact O-N 2.76Å
315	D	80	Confident	72.3	Confident	93 Å²	93	107.6 Å²	107.6	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-64.2	-44.8	-178.1	-166.1	49.6	0	0	0	111.7	Y311 K317 G318 D319	Y311-D315 WeakPolarHBondContact O-CB 3.42Å; Y311-D315 PolarHBondContact O-N 3.01Å; D315-K317 PolarHBondContact O-N 3.4Å; D315-K317 VanDerWaalsContact O-N 3.13Å; D315-G318 PolarHBondContact O-N 3.32Å; D315-D319 PolarHBondContact O-N 2.83Å
316	K	72.1	Confident	69.9	Low	150 Å²	150	113.1 Å²	113.1	65%	0.652	55%	0.554	S	S	*	*	H	α-helix	trans	-60.6	-22.9	173.2	-74.4	178.9	-179.5	179.4	0	114.6	K312	K312-K316 WeakPolarHBondContact O-CG 3.37Å; K312-K316 PolarHBondContact O-N 3.25Å
317	K	61.6	Low	67.6	Low	170 Å²	170	112.6 Å²	112.6	74%	0.739	56%	0.555	S	S	*	*	H	α-helix	trans	-81.2	-31.8	174.5	-75.3	-179.3	179.2	179.9	0	111.7	S314 D315	S314-K317 WeakPolarHBondContact O-CB 3.44Å; S314-K317 PolarHBondContact O-N 3.12Å; S314-K317 VanDerWaalsContact O-N 3.1Å; D315-K317 PolarHBondContact O-N 3.4Å; D315-K317 VanDerWaalsContact O-N 3.13Å
318	G	56.5	Low	65	Low	42 Å²	42	116.6 Å²	116.6	43%	0.433	57%	0.574	S	S	.	*	H	α-helix	trans	-72.6	-35.1	174.1	0	0	0	0	0	113.2	S314 D315 K320 S321	S314-G318 PolarHBondContact O-N 2.76Å; D315-G318 PolarHBondContact O-N 3.32Å; G318-K320 PolarHBondContact O-N 3.41Å; G318-S321 PolarHBondContact O-N 2.73Å; G318-S321 PolarHBondContact O-OG 2.84Å; G318-S321 VanDerWaalsContact O-OG 3.09Å
319	D	55.1	Low	62.5	Low	90 Å²	90	125.3 Å²	125.3	48%	0.481	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-71.3	-16.8	-176.3	-152.6	25.6	0	0	0	113.8	D315 S321 K322	D315-D319 PolarHBondContact O-N 2.83Å; D319-S321 PolarHBondContact O-N 3.47Å; D319-K322 PolarHBondContact O-N 2.85Å
320	K	49.4	Very low	60.4	Low	177 Å²	177	124.4 Å²	124.4	77%	0.77	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-67.7	-17.4	174	-75.1	-172.2	179.2	-175.7	0	113.7	G318	G318-K320 PolarHBondContact O-N 3.41Å
321	S	44.9	Very low	57.8	Low	103 Å²	103	127.6 Å²	127.6	72%	0.72	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-90.9	-14.7	177.2	72.2	0	0	0	0	114.2	G318 D319	G318-S321 PolarHBondContact O-N 2.73Å; G318-S321 PolarHBondContact O-OG 2.84Å; G318-S321 VanDerWaalsContact O-OG 3.09Å; D319-S321 PolarHBondContact O-N 3.47Å
322	K	46.4	Very low	55.3	Low	144 Å²	144	131.9 Å²	131.9	63%	0.626	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-10.8	-177.5	-74.1	-174.3	175.7	-178	0	114.7	D319 N324 E325	D319-K322 PolarHBondContact O-N 2.85Å; K322-N324 PolarHBondContact O-N 3.15Å; K322-E325 PolarHBondContact O-N 3.06Å
323	K	44.1	Very low	53.1	Low	149 Å²	149	135.7 Å²	135.7	65%	0.648	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-11.6	-178.1	-96.9	-174.3	173.8	-174	0	116.2
324	N	41.8	Very low	50.9	Low	146 Å²	146	136.7 Å²	136.7	78%	0.781	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-11.7	-177.5	-86	-0.4	0	0	0	114.9	K322	K322-N324 PolarHBondContact O-N 3.15Å
325	E	45	Very low	49.2	Very low	169 Å²	169	138.5 Å²	138.5	79%	0.79	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-25.9	-177.5	-75.2	-178.1	162.5	0	0	114.2	K322 L327	K322-E325 PolarHBondContact O-N 3.06Å; E325-L327 PolarHBondContact O-N 3.11Å
326	E	46.5	Very low	47.9	Very low	138 Å²	138	136.3 Å²	136.3	65%	0.645	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-78.3	-15.4	-176.5	-72.5	-173.9	168.7	0	0	114.3	K272 Q328	K272-E326 IonicContact NZ-OE2 2.71Å; K272-E326 PolarHBondContact NZ-OE2 3.17Å; E326-Q328 PolarHBondContact O-N 3.36Å
327	L	46.4	Very low	47.3	Very low	139 Å²	139	135.2 Å²	135.2	73%	0.728	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-74.3	-6	-177.5	-80.3	155.8	0	0	0	114.4	E325	E325-L327 PolarHBondContact O-N 3.11Å
328	Q	40.9	Very low	47.6	Very low	181 Å²	181	129.1 Å²	129.1	85%	0.846	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-99.9	-3.5	-175.6	-73.9	-173.2	-0.5	0	0	115.6	E326	E326-Q328 PolarHBondContact O-N 3.36Å
329	K	43.4	Very low	48.1	Very low	198 Å²	198	128.8 Å²	128.8	86%	0.861	66%	0.664	S	S	*	*	S	Bend	trans	-97.3	5	177.3	-88.2	-174.7	174.6	-176.6	0	114.6	E331	K329-E331 PolarHBondContact O-N 3.32Å
330	A	48.8	Very low	48.6	Very low	75 Å²	75	133.1 Å²	133.1	62%	0.62	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	47.7	-158.8	0	0	0	0	0	115.8
331	E	37.8	Very low	49.2	Very low	183 Å²	183	131 Å²	131	86%	0.855	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	6.6	176.2	-94.1	-169.4	171	0	0	117.5	K329	K329-E331 PolarHBondContact O-N 3.32Å
332	N	38.5	Very low	49.9	Very low	154 Å²	154	129.1 Å²	129.1	82%	0.824	66%	0.657	S	S	*	*			trans	-148.3	45.5	175.2	-84.6	-33.9	0	0	0	114.7	E334	N332-E334 PolarHBondContact O-N 3.06Å
333	D	41.7	Very low	50.9	Low	143 Å²	143	130.5 Å²	130.5	77%	0.765	67%	0.666	S	S	*	*			trans	-89.1	98.4	169.3	-75.4	-12.1	0	0	0	109.5	A335	D333-A335 PolarHBondContact O-N 3.08Å
334	E	42.5	Very low	52.5	Low	158 Å²	158	128.5 Å²	128.5	74%	0.738	67%	0.666	S	S	*	*			trans	-62.4	120.5	164	-70.1	-167.7	171.5	0	0	108.6	N332 D336 D337	N332-E334 PolarHBondContact O-N 3.06Å; E334-D336 PolarHBondContact O-N 3.35Å; E334-D337 PolarHBondContact O-N 3.49Å
335	A	50.7	Low	54.4	Low	106 Å²	106	122.7 Å²	122.7	88%	0.876	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	10.7	-175.4	0	0	0	0	0	115.5	D333	D333-A335 PolarHBondContact O-N 3.08Å
336	D	51	Low	56.3	Low	48 Å²	48	118.4 Å²	118.4	26%	0.257	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.9	-5.8	-176.7	-87.5	-22.7	0	0	0	114	K203 N235 E334	K203-D336 WeakPolarHBondContact CD-OD1 3.32Å; K203-D336 IonicContact NZ-OD1 3.88Å; K203-D336 PolarHBondContact NZ-OD1 2.84Å; K203-D336 IonicContact NZ-OD2 2.73Å; K203-D336 PolarHBondContact NZ-OD2 2.76Å; N235-D336 PolarHBondContact ND2-O 2.84Å; E334-D336 PolarHBondContact O-N 3.35Å
337	D	61	Low	58.4	Low	127 Å²	127	115.1 Å²	115.1	68%	0.679	61%	0.613	S	S	*	*	S	Bend	trans	-86.4	148.1	178.3	-90.2	-23.4	0	0	0	113.6	E334 P339	E334-D337 PolarHBondContact O-N 3.49Å; D337-P339 WeakPolarHBondContact O-CD 3.38Å
338	M	68.1	Low	60.7	Low	42 Å²	42	108.7 Å²	108.7	21%	0.207	58%	0.58	C	S	.	*	P	Polyproline II helix	trans	-61.2	123.2	174.2	-104.3	-62	-94.2	0	0	110.2	W139 W242 E340	W139-M338 HydrophobicContact CH2-CE 3.75Å; W139-M338 HydrophobicContact CZ3-CE 4.37Å; W242-M338 HydrophobicContact CB-CE 3.39Å; W242-M338 HydrophobicContact CB-CG 3.93Å; W242-M338 HydrophobicContact CB-SD 3.39Å; W242-M338 WeakPolarHBondContact CB-SD 3.26Å; W242-M338 VanDerWaalsContact CD1-CG 3.41Å; W242-M338 HydrophobicContact CD2-CE 3.84Å; W242-M338 HydrophobicContact CD2-CG 4.41Å; W242-M338 HydrophobicContact CD2-SD 3.11Å; W242-M338 HydrophobicContact CE3-CE 4.03Å; W242-M338 HydrophobicContact CE3-SD 3.79Å; W242-M338 HydrophobicContact CG-CE 3.63Å; W242-M338 HydrophobicContact CG-CG 3.73Å; W242-M338 HydrophobicContact CG-SD 2.94Å; W242-M338 HydrophobicContact CZ2-SD 4.2Å; W242-M338 PolarHBondContact NE1-SD 3.1Å; M338-E340 PolarHBondContact O-N 3.49Å
339	P	66.4	Low	63.2	Low	35 Å²	35	105 Å²	105	23%	0.227	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-56.5	138.4	176.5	17.1	-27.8	0	0	0	110.6	L274 D337 I341	L274-P339 HydrophobicContact CD2-CG 4.24Å; D337-P339 WeakPolarHBondContact O-CD 3.38Å; P339-I341 PolarHBondContact O-N 3.03Å
340	E	64.9	Low	65.6	Low	180 Å²	180	98.5 Å²	98.5	84%	0.841	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-54.8	134.4	177.9	-71.8	-171.2	163.2	0	0	110.3	M338 Q342	M338-E340 PolarHBondContact O-N 3.49Å; E340-Q342 PolarHBondContact O-N 3.37Å
341	I	61.4	Low	67.9	Low	134 Å²	134	95.9 Å²	95.9	69%	0.687	54%	0.538	S	S	*	.			trans	-61.6	110	179	-62.7	171.4	0	0	0	107.9	P339	P339-I341 PolarHBondContact O-N 3.03Å
342	Q	60	Low	70.8	Confident	62 Å²	62	91.2 Å²	91.2	29%	0.29	52%	0.522	S	S	.	.			trans	-70.6	157	-178.6	-66.2	-169.5	-14.3	0	0	112.9	G271 K272 K295 E340	G271-Q342 PolarHBondContact O-NE2 3.34Å; G271-Q342 VanDerWaalsContact O-NE2 3.1Å; G271-Q342 PolarHBondContact O-OE1 3.44Å; K272-Q342 PolarHBondContact O-OE1 2.68Å; K272-Q342 VanDerWaalsContact O-OE1 3.11Å; K295-Q342 PolarHBondContact NZ-O 3.02Å; K295-Q342 VanDerWaalsContact NZ-O 3.14Å; E340-Q342 PolarHBondContact O-N 3.37Å
343	E	67.3	Low	73.6	Confident	174 Å²	174	87.3 Å²	87.3	81%	0.813	50%	0.5	S	S	*	.			trans	-42.8	142.2	175.6	-67.4	-176.6	166.2	0	0	112.6	K295	K295-E343 PolarHBondContact NZ-O 3.29Å
344	T	77.7	Confident	76.3	Confident	106 Å²	106	81.1 Å²	81.1	65%	0.65	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-51.3	151.8	176.2	52.4	0	0	0	0	111.5	E298 S346	E298-T344 WeakPolarHBondContact OE2-CA 3.49Å; T344-S346 PolarHBondContact O-N 3.06Å; T344-S346 VanDerWaalsContact O-N 3.12Å
345	V	81.4	Confident	79	Confident	25 Å²	25	73.7 Å²	73.7	15%	0.152	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-49	120.3	-179.9	179.9	0	0	0	0	111.8	Y293 K295 E298 V347	Y293-V345 HydrophobicContact CD2-CG1 3.99Å; Y293-V345 HydrophobicContact CE2-CG1 3.76Å; K295-V345 HydrophobicContact CB-CG2 3.85Å; K295-V345 HydrophobicContact CD-CG2 3.76Å; K295-V345 HydrophobicContact CG-CG2 3.58Å; E298-V345 PolarHBondContact OE2-N 3.07Å; V345-V347 PolarHBondContact O-N 3.29Å
346	S	85.5	Confident	81.2	Confident	78 Å²	78	74.4 Å²	74.4	55%	0.545	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.6	118.6	170.6	-49.8	0	0	0	0	109.9	T344 V348	T344-S346 PolarHBondContact O-N 3.06Å; T344-S346 VanDerWaalsContact O-N 3.12Å; S346-V348 PolarHBondContact O-N 2.98Å
347	V	92.1	Very high	83.3	Confident	69 Å²	69	74.2 Å²	74.2	42%	0.418	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-80.9	122	-177.7	-174.1	0	0	0	0	109.5	W301 V345	W301-V347 HydrophobicContact CD2-CG1 4.12Å; W301-V347 HydrophobicContact CE3-CG1 3.99Å; W301-V347 HydrophobicContact CH2-CG1 3.92Å; W301-V347 HydrophobicContact CH2-CG2 4.11Å; W301-V347 HydrophobicContact CZ2-CB 4.45Å; W301-V347 HydrophobicContact CZ2-CG1 4.03Å; W301-V347 HydrophobicContact CZ2-CG2 3.5Å; W301-V347 HydrophobicContact CZ3-CG1 3.9Å; V345-V347 PolarHBondContact O-N 3.29Å
348	V	93.3	Very high	84.7	Confident	5 Å²	5	75 Å²	75	3%	0.03	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-71.9	126.5	173.6	-174.4	0	0	0	0	108.4	Y293 I303 Y308 Y311 S346 G350 S351	Y293-V348 HydrophobicContact CE1-CG2 4.29Å; Y293-V348 HydrophobicContact CE2-CG2 4.37Å; Y293-V348 PolarHBondContact OH-N 3.38Å; I303-V348 HydrophobicContact CD1-CB 3.9Å; I303-V348 HydrophobicContact CD1-CG1 3.44Å; I303-V348 VanDerWaalsContact CD1-CG1 3.44Å; Y308-V348 HydrophobicContact CD2-CG2 4.18Å; Y308-V348 HydrophobicContact CE2-CG2 4.2Å; Y311-V348 HydrophobicContact CD1-CB 4.44Å; Y311-V348 HydrophobicContact CD1-CG1 4.06Å; Y311-V348 HydrophobicContact CD1-CG2 3.58Å; Y311-V348 HydrophobicContact CD2-CG1 3.82Å; Y311-V348 HydrophobicContact CD2-CG2 4.46Å; Y311-V348 HydrophobicContact CE1-CG2 3.68Å; Y311-V348 HydrophobicContact CE2-CG1 4.47Å; Y311-V348 HydrophobicContact CG-CB 4.37Å; Y311-V348 HydrophobicContact CG-CG1 3.57Å; Y311-V348 HydrophobicContact CG-CG2 4Å; S346-V348 PolarHBondContact O-N 2.98Å; V348-G350 PolarHBondContact O-N 2.93Å; V348-S351 WeakPolarHBondContact O-CB 3.31Å; V348-S351 PolarHBondContact O-N 3.06Å; V348-S351 VanDerWaalsContact O-N 3.09Å; V348-S351 PolarHBondContact O-OG 3.26Å
349	P	93.8	Very high	85.7	Confident	104 Å²	104	77.7 Å²	77.7	68%	0.675	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	137.6	175.6	-26.6	35.2	0	0	0	111.6
350	G	93.6	Very high	87	Confident	60 Å²	60	78.8 Å²	78.8	62%	0.619	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-8.3	-173.8	0	0	0	0	0	114.6	V348	V348-G350 PolarHBondContact O-N 2.93Å
351	S	97.5	Very high	88.4	Confident	20 Å²	20	71.2 Å²	71.2	14%	0.14	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-71.9	143.4	179.4	-58.7	0	0	0	0	113.6	Y293 S302 V348	Y293-S351 WeakPolarHBondContact OH-CB 3.36Å; Y293-S351 PolarHBondContact OH-OG 2.88Å; S302-S351 CarbonylContact O-C 3.49Å; S302-S351 WeakPolarHBondContact O-CA 3.37Å; V348-S351 WeakPolarHBondContact O-CB 3.31Å; V348-S351 PolarHBondContact O-N 3.06Å; V348-S351 VanDerWaalsContact O-N 3.09Å; V348-S351 PolarHBondContact O-OG 3.26Å
352	T	97.9	Very high	89.9	Confident	85 Å²	85	70.1 Å²	70.1	52%	0.521	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	173	-61.4	0	0	0	0	110.2	W301 S302 L354	W301-T352 CarbonylContact C-O 3.39Å; W301-T352 WeakPolarHBondContact CA-O 3.31Å; S302-T352 PolarHBondContact N-O 3.37Å; S302-T352 PolarHBondContact O-N 2.97Å; T352-L354 PolarHBondContact O-N 3.1Å
353	L	98.2	Very high	91.6	Very high	72 Å²	72	70.3 Å²	70.3	38%	0.377	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125	175.9	-177.8	66	0	0	0	109.9	C299 W301 W355	C299-L353 HydrophobicContact CB-CD1 4.31Å; W301-L353 HydrophobicContact CD2-CB 4.48Å; W301-L353 HydrophobicContact CD2-CD1 3.99Å; W301-L353 VanDerWaalsContact CE3-CA 3.48Å; W301-L353 HydrophobicContact CE3-CB 3.87Å; W301-L353 HydrophobicContact CE3-CD1 4.23Å; W301-L353 HydrophobicContact CH2-CB 3.94Å; W301-L353 HydrophobicContact CH2-CD1 3.98Å; W301-L353 HydrophobicContact CH2-CG 4.42Å; W301-L353 HydrophobicContact CZ2-CD1 3.72Å; W301-L353 HydrophobicContact CZ3-CB 3.57Å; W301-L353 HydrophobicContact CZ3-CD1 4.22Å; W301-L353 HydrophobicContact CZ3-CG 4.46Å; L353-W355 WeakPolarHBondContact CD1-O 3.48Å
354	L	98.4	Very high	92.9	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.068	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-41.9	176.7	-61.6	-174.1	0	0	0	112.2	Q125 A129 M300 T352	Q125-L354 HydrophobicContact CB-CD1 3.98Å; Q125-L354 HydrophobicContact CB-CD2 4Å; Q125-L354 HydrophobicContact CG-CD1 4.32Å; A129-L354 HydrophobicContact CB-CB 4.05Å; M300-L354 HydrophobicContact CE-CB 3.98Å; M300-L354 HydrophobicContact CE-CD1 3.42Å; M300-L354 VanDerWaalsContact CE-CD1 3.42Å; M300-L354 HydrophobicContact CE-CG 4.35Å; M300-L354 WeakPolarHBondContact O-CB 3.48Å; M300-L354 PolarHBondContact O-N 3.3Å; T352-L354 PolarHBondContact O-N 3.1Å
355	W	98.5	Very high	93.7	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.011	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	151	-179.8	162.2	80.2	0	0	0	111.2	H107 L110 A129 V132 A136 W296 C299 M300 L353 I357	H107-W355 AromaticContact CD2-CD1 3.86Å; H107-W355 AromaticContact CD2-NE1 3.28Å; H107-W355 PolarHBondContact CD2-NE1 3.31Å; H107-W355 VanDerWaalsContact CD2-NE1 3.28Å; H107-W355 AromaticContact CE1-NE1 3.89Å; H107-W355 AromaticContact CG-NE1 3.86Å; H107-W355 AromaticContact NE2-NE1 3.29Å; H107-W355 PolarHBondContact NE2-NE1 3.28Å; L110-W355 HydrophobicContact CD1-CB 4.27Å; L110-W355 HydrophobicContact CD1-CG 4.26Å; A129-W355 HydrophobicContact CB-CB 3.99Å; V132-W355 HydrophobicContact CG1-CE3 4.47Å; V132-W355 HydrophobicContact CG1-CZ3 4.14Å; A136-W355 HydrophobicContact CB-CH2 3.6Å; A136-W355 HydrophobicContact CB-CZ2 3.54Å; W296-W355 VanDerWaalsContact O-CH2 3.3Å; W296-W355 WeakPolarHBondContact O-CH2 3.27Å; C299-W355 CarbonylContact C-O 3.51Å; C299-W355 WeakPolarHBondContact CA-O 3.31Å; C299-W355 VanDerWaalsContact CB-O 3.28Å; C299-W355 WeakPolarHBondContact CB-O 3.22Å; M300-W355 HydrophobicContact CB-CB 4.5Å; M300-W355 HydrophobicContact CB-CE3 4.01Å; M300-W355 PolarHBondContact N-O 3.41Å; M300-W355 PolarHBondContact O-N 2.69Å; L353-W355 WeakPolarHBondContact CD1-O 3.48Å; W355-I357 HydrophobicContact CH2-CB 3.95Å; W355-I357 HydrophobicContact CH2-CG1 4.47Å; W355-I357 HydrophobicContact CZ2-CB 3.6Å; W355-I357 HydrophobicContact CZ2-CD1 4.46Å; W355-I357 HydrophobicContact CZ2-CG1 3.94Å
356	R	97.1	Very high	94.4	Very high	121 Å²	121	65.9 Å²	65.9	46%	0.457	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.9	170.3	-178.4	175	-62.6	-75.7	-2.5	108.6	E298 C299	E298-R356 WeakPolarHBondContact O-CA 3.45Å; C299-R356 HydrophobicContact CB-CB 4.27Å; C299-R356 HydrophobicContact CB-CG 4.36Å
357	I	94.9	Very high	94.9	Very high	44 Å²	44	63.3 Å²	63.3	23%	0.226	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-67.6	141.4	175.9	-156.6	171.3	0	0	0	110.1	A136 T297 E298 W355	A136-I357 HydrophobicContact CB-CD1 4Å; T297-I357 WeakPolarHBondContact O-CG2 3.27Å; E298-I357 WeakPolarHBondContact O-CG2 3.3Å; E298-I357 PolarHBondContact O-N 3.47Å; W355-I357 HydrophobicContact CH2-CB 3.95Å; W355-I357 HydrophobicContact CH2-CG1 4.47Å; W355-I357 HydrophobicContact CZ2-CB 3.6Å; W355-I357 HydrophobicContact CZ2-CD1 4.46Å; W355-I357 HydrophobicContact CZ2-CG1 3.94Å
358	E	90.4	Very high	95	Very high	143 Å²	143	60.2 Å²	60.2	67%	0.668	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-73.4	144.1	169.2	-171.6	53.2	-116.8	0	0	110	R360	E358-R360 PolarHBondContact O-N 2.78Å
359	S	89.3	Confident	95.1	Very high	98 Å²	98	61.9 Å²	61.9	69%	0.685	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-68	137	175.6	-73.7	0	0	0	0	110.5
360	R	93.9	Very high	95.3	Very high	58 Å²	58	57 Å²	57	22%	0.219	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-63.4	148.8	174.2	-75.1	-179	174.7	161.3	-2.3	110.6	S137 W139 E358 N369	S137-R360 PolarHBondContact O-NH2 2.59Å; W139-R360 PolarHBondContact O-NH1 2.86Å; W139-R360 PolarHBondContact O-NH2 3.28Å; E358-R360 PolarHBondContact O-N 2.78Å; R360-N369 PolarHBondContact NE-O 3.37Å; R360-N369 PolarHBondContact NH2-O 2.94Å
361	P	93.9	Very high	95.5	Very high	21 Å²	21	54.7 Å²	54.7	14%	0.136	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-54.3	145	171	-23.8	33.4	0	0	0	111.2	H363 S364 N372 M375	P361-H363 WeakPolarHBondContact CB-CE1 3.48Å; P361-H363 PolarHBondContact O-N 2.81Å; P361-S364 WeakPolarHBondContact O-CB 3.21Å; P361-S364 PolarHBondContact O-N 2.62Å; P361-N372 WeakPolarHBondContact CG-OD1 3.14Å; P361-M375 HydrophobicContact CB-CE 4.49Å; P361-M375 HydrophobicContact CG-CE 4.1Å
362	A	94.6	Very high	95.4	Very high	112 Å²	112	57.4 Å²	57.4	93%	0.926	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.7	-177.7	0	0	0	0	0	113.4
363	H	94.4	Very high	95.4	Very high	66 Å²	66	53.8 Å²	53.8	31%	0.306	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.6	177	59.6	-77.8	0	0	0	114.2	T56 P361 A365 K366 M367	T56-H363 PolarHBondContact O-CE1 2.86Å; T56-H363 PolarHBondContact O-NE2 3.49Å; P361-H363 WeakPolarHBondContact CB-CE1 3.48Å; P361-H363 PolarHBondContact O-N 2.81Å; H363-A365 PolarHBondContact O-N 3.43Å; H363-K366 WeakPolarHBondContact O-CB 3.49Å; H363-K366 PolarHBondContact O-N 3.06Å; H363-M367 PolarHBondContact O-N 2.98Å
364	S	95.9	Very high	95.4	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.028	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56	-37.5	-177.2	-179.3	0	0	0	0	112.5	P361 K366 M367 N369 F370	P361-S364 WeakPolarHBondContact O-CB 3.21Å; P361-S364 PolarHBondContact O-N 2.62Å; S364-K366 PolarHBondContact O-N 3.36Å; S364-M367 CarbonylContact O-C 3.59Å; S364-M367 WeakPolarHBondContact O-CA 3.21Å; S364-M367 PolarHBondContact O-N 3.09Å; S364-N369 VanDerWaalsContact O-CA 3.23Å; S364-N369 WeakPolarHBondContact O-CA 3.4Å; S364-N369 PolarHBondContact O-N 3.37Å; S364-N369 WeakPolarHBondContact OG-CA 3.21Å; S364-N369 PolarHBondContact OG-O 3.49Å; S364-F370 WeakPolarHBondContact CB-O 3.33Å; S364-F370 PolarHBondContact OG-N 3.16Å; S364-F370 PolarHBondContact OG-O 3.26Å
365	A	93.9	Very high	95.3	Very high	64 Å²	64	49.8 Å²	49.8	53%	0.529	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.6	-26.9	175.7	0	0	0	0	0	114.1	H363 M367 N369	H363-A365 PolarHBondContact O-N 3.43Å; A365-M367 VanDerWaalsContact C-N 3.31Å; A365-N369 VanDerWaalsContact CA-OD1 3.27Å; A365-N369 WeakPolarHBondContact CA-OD1 3.32Å
366	K	94.8	Very high	95.2	Very high	144 Å²	144	50.2 Å²	50.2	63%	0.626	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-82.4	-12.4	172.9	-60.4	-178.3	-179.1	179.3	0	112.4	P61 M62 H363 S364	P61-K366 CarbonylContact C-O 3.51Å; P61-K366 VanDerWaalsContact CA-O 3.28Å; P61-K366 WeakPolarHBondContact CA-O 3.47Å; P61-K366 HydrophobicContact CB-CB 4.47Å; M62-K366 PolarHBondContact N-O 2.94Å; H363-K366 WeakPolarHBondContact O-CB 3.49Å; H363-K366 PolarHBondContact O-N 3.06Å; S364-K366 PolarHBondContact O-N 3.36Å
367	M	96.4	Very high	95.3	Very high	23 Å²	23	44.5 Å²	44.5	11%	0.113	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	50.1	-174.7	-58.9	-56.8	-179.3	0	0	110.2	L58 H363 S364 A365 N369 F370 M375	L58-M367 HydrophobicContact CB-SD 3.68Å; L58-M367 HydrophobicContact CD1-CB 4.3Å; L58-M367 HydrophobicContact CD1-SD 4.25Å; L58-M367 HydrophobicContact CG-CB 4.39Å; L58-M367 HydrophobicContact CG-SD 4.04Å; H363-M367 PolarHBondContact O-N 2.98Å; S364-M367 CarbonylContact O-C 3.59Å; S364-M367 WeakPolarHBondContact O-CA 3.21Å; S364-M367 PolarHBondContact O-N 3.09Å; A365-M367 VanDerWaalsContact C-N 3.31Å; M367-N369 PolarHBondContact O-N 3.14Å; M367-F370 VanDerWaalsContact O-CB 3.3Å; M367-F370 WeakPolarHBondContact O-CB 3.38Å; M367-F370 VanDerWaalsContact O-CG 3.28Å; M367-F370 WeakPolarHBondContact O-CG 3.31Å; M367-F370 PolarHBondContact O-N 3.41Å; M367-M375 HydrophobicContact CB-CE 3.88Å; M367-M375 HydrophobicContact CB-SD 4.41Å; M367-M375 HydrophobicContact CG-CE 4.34Å
368	Y	95.2	Very high	95.5	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.02	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	21.7	176.5	-56.7	-91.9	0	0	0	114.9	L58 M62 F63 E93 P94 R141 F370 M402	L58-Y368 HydrophobicContact CD1-CD2 3.69Å; L58-Y368 HydrophobicContact CD1-CE2 3.96Å; M62-Y368 HydrophobicContact CB-CD1 3.69Å; M62-Y368 HydrophobicContact CB-CD2 3.78Å; M62-Y368 HydrophobicContact CB-CE1 3.46Å; M62-Y368 VanDerWaalsContact CB-CE1 3.46Å; M62-Y368 HydrophobicContact CB-CE2 3.54Å; M62-Y368 HydrophobicContact CB-CG 3.84Å; M62-Y368 HydrophobicContact CE-CD1 4.22Å; M62-Y368 HydrophobicContact CE-CE1 4.49Å; M62-Y368 HydrophobicContact SD-CD1 4.39Å; F63-Y368 WeakPolarHBondContact CD1-OH 3.26Å; F63-Y368 HydrophobicContact CE1-CE1 4.01Å; F63-Y368 WeakPolarHBondContact CE1-OH 3.33Å; F63-Y368 HydrophobicContact CZ-CE1 4.24Å; E93-Y368 HydrophobicContact CB-CD1 4.07Å; E93-Y368 HydrophobicContact CB-CG 4.36Å; P94-Y368 VanDerWaalsContact CD-CE2 3.46Å; P94-Y368 HydrophobicContact CG-CD2 3.87Å; P94-Y368 HydrophobicContact CG-CE2 3.63Å; R141-Y368 WeakPolarHBondContact CD-O 3.1Å; Y368-F370 VanDerWaalsContact C-N 3.26Å; Y368-F370 VanDerWaalsContact CB-CE1 3.46Å; Y368-F370 HydrophobicContact CG-CE1 4.36Å; Y368-F370 HydrophobicContact CG-CZ 4.47Å; Y368-F370 PolarHBondContact O-N 2.81Å; Y368-M402 HydrophobicContact CE1-CE 3.8Å
369	N	95.8	Very high	95.8	Very high	40 Å²	40	37.5 Å²	37.5	21%	0.214	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	28.5	-172.3	-62.3	-53.9	0	0	0	114.1	D140 R141 R360 S364 A365 M367	D140-N369 HydrophobicContact CB-CB 4.14Å; D140-N369 PolarHBondContact O-ND2 3.24Å; R141-N369 WeakPolarHBondContact CD-O 2.9Å; R360-N369 PolarHBondContact NE-O 3.37Å; R360-N369 PolarHBondContact NH2-O 2.94Å; S364-N369 VanDerWaalsContact O-CA 3.23Å; S364-N369 WeakPolarHBondContact O-CA 3.4Å; S364-N369 PolarHBondContact O-N 3.37Å; S364-N369 WeakPolarHBondContact OG-CA 3.21Å; S364-N369 PolarHBondContact OG-O 3.49Å; A365-N369 VanDerWaalsContact CA-OD1 3.27Å; A365-N369 WeakPolarHBondContact CA-OD1 3.32Å; M367-N369 PolarHBondContact O-N 3.14Å
370	F	97.6	Very high	96	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	21%	0.205	C	C	.	.			trans	-68.2	145.6	179	-73.9	6.1	0	0	0	112.4	L58 E93 P94 L95 R141 S364 M367 Y368 A374 M375	L58-F370 HydrophobicContact CD1-CD2 4.09Å; L58-F370 HydrophobicContact CD1-CE2 4.03Å; L58-F370 HydrophobicContact CD2-CD2 4.32Å; L58-F370 HydrophobicContact CD2-CE2 4.42Å; E93-F370 HydrophobicContact CB-CE1 3.99Å; E93-F370 HydrophobicContact CB-CZ 4.01Å; E93-F370 HydrophobicContact CG-CE1 4.35Å; E93-F370 HydrophobicContact CG-CZ 4.37Å; E93-F370 WeakPolarHBondContact OE2-CE1 3.39Å; P94-F370 HydrophobicContact CG-CE2 4.15Å; P94-F370 HydrophobicContact CG-CZ 4.14Å; L95-F370 HydrophobicContact CD1-CD2 4.48Å; L95-F370 HydrophobicContact CD1-CE1 4.13Å; L95-F370 HydrophobicContact CD1-CE2 3.76Å; L95-F370 HydrophobicContact CD1-CZ 3.55Å; L95-F370 HydrophobicContact CD2-CE2 4.45Å; L95-F370 HydrophobicContact CG-CE2 3.83Å; L95-F370 HydrophobicContact CG-CZ 3.66Å; R141-F370 VanDerWaalsContact NE-CD1 3.26Å; R141-F370 VanDerWaalsContact NE-CE1 3.26Å; S364-F370 WeakPolarHBondContact CB-O 3.33Å; S364-F370 PolarHBondContact OG-N 3.16Å; S364-F370 PolarHBondContact OG-O 3.26Å; M367-F370 VanDerWaalsContact O-CB 3.3Å; M367-F370 WeakPolarHBondContact O-CB 3.38Å; M367-F370 VanDerWaalsContact O-CG 3.28Å; M367-F370 WeakPolarHBondContact O-CG 3.31Å; M367-F370 PolarHBondContact O-N 3.41Å; Y368-F370 VanDerWaalsContact C-N 3.26Å; Y368-F370 VanDerWaalsContact CB-CE1 3.46Å; Y368-F370 HydrophobicContact CG-CE1 4.36Å; Y368-F370 HydrophobicContact CG-CZ 4.47Å; Y368-F370 PolarHBondContact O-N 2.81Å; F370-A374 HydrophobicContact CB-CB 3.95Å; F370-A374 HydrophobicContact CD2-CB 4.32Å; F370-A374 HydrophobicContact CG-CB 4.04Å; F370-M375 HydrophobicContact CB-CE 4.08Å; F370-M375 HydrophobicContact CB-CG 3.67Å; F370-M375 HydrophobicContact CD2-CG 4.2Å; F370-M375 HydrophobicContact CG-CG 4.47Å; F370-M375 WeakPolarHBondContact O-CE 3.44Å
371	T	97.1	Very high	95.8	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.074	20%	0.203	C	C	.	.			trans	-75	168	163.3	70	0	0	0	0	109.8	E106 F373 A374 M375	E106-T371 WeakPolarHBondContact OE1-CB 3.34Å; E106-T371 WeakPolarHBondContact OE1-CG2 3.37Å; E106-T371 PolarHBondContact OE1-OG1 2.8Å; T371-F373 PolarHBondContact O-N 2.59Å; T371-F373 PolarHBondContact OG1-N 3.13Å; T371-A374 PolarHBondContact O-N 3.34Å; T371-A374 PolarHBondContact OG1-N 2.82Å; T371-A374 VanDerWaalsContact OG1-N 3.13Å; T371-M375 WeakPolarHBondContact O-CG 3.27Å; T371-M375 PolarHBondContact O-N 3.34Å
372	N	95.8	Very high	95.6	Very high	76 Å²	76	39.4 Å²	39.4	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-36.7	171.7	-77.3	-40.1	0	0	0	111.6	P361 M375 A376	P361-N372 WeakPolarHBondContact CG-OD1 3.14Å; N372-M375 PolarHBondContact O-N 3.07Å; N372-A376 PolarHBondContact O-N 2.91Å
373	F	96.9	Very high	95.5	Very high	10 Å²	10	36.6 Å²	36.6	4%	0.044	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-50.7	175.6	-172.2	-83.3	0	0	0	111.1	S102 E103 M105 E106 L156 F163 T371 M375 A376 L377	S102-F373 WeakPolarHBondContact O-CE1 3.47Å; E103-F373 HydrophobicContact CG-CD1 4.4Å; M105-F373 HydrophobicContact CB-CZ 4.34Å; E106-F373 HydrophobicContact CB-CB 4.29Å; E106-F373 HydrophobicContact CB-CD1 4.16Å; E106-F373 HydrophobicContact CB-CD2 4Å; E106-F373 HydrophobicContact CB-CE1 4.5Å; E106-F373 HydrophobicContact CB-CE2 4.36Å; E106-F373 HydrophobicContact CB-CG 3.9Å; E106-F373 HydrophobicContact CG-CB 3.76Å; E106-F373 HydrophobicContact CG-CD2 4.07Å; E106-F373 HydrophobicContact CG-CG 3.9Å; E106-F373 WeakPolarHBondContact OE1-CB 3.49Å; L156-F373 HydrophobicContact CD2-CE1 4.26Å; L156-F373 HydrophobicContact CD2-CZ 3.71Å; F163-F373 HydrophobicContact CZ-CE2 4.47Å; F163-F373 HydrophobicContact CZ-CZ 4.36Å; T371-F373 PolarHBondContact O-N 2.59Å; T371-F373 PolarHBondContact OG1-N 3.13Å; F373-M375 VanDerWaalsContact C-N 3.34Å; F373-M375 PolarHBondContact O-N 3.25Å; F373-A376 PolarHBondContact O-N 3.37Å; F373-A376 VanDerWaalsContact O-N 3.16Å; F373-L377 HydrophobicContact CD1-CD1 4.49Å; F373-L377 HydrophobicContact CD1-CD2 4.19Å; F373-L377 HydrophobicContact CD1-CG 4.4Å; F373-L377 HydrophobicContact CE1-CD1 4.48Å; F373-L377 HydrophobicContact CE1-CD2 3.73Å; F373-L377 HydrophobicContact CE1-CG 4.38Å; F373-L377 HydrophobicContact CZ-CD2 4.44Å
374	A	97.9	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-37.9	179.9	0	0	0	0	0	112.7	L95 F370 T371 A376 L377	L95-A374 HydrophobicContact CD1-CB 4.39Å; F370-A374 HydrophobicContact CB-CB 3.95Å; F370-A374 HydrophobicContact CD2-CB 4.32Å; F370-A374 HydrophobicContact CG-CB 4.04Å; T371-A374 PolarHBondContact O-N 3.34Å; T371-A374 PolarHBondContact OG1-N 2.82Å; T371-A374 VanDerWaalsContact OG1-N 3.13Å; A374-A376 PolarHBondContact O-N 3.38Å; A374-L377 PolarHBondContact O-N 2.86Å
375	M	97.5	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-35.9	175.8	-69.8	-173.5	-151	0	0	111.8	R55 P361 M367 F370 T371 N372 F373 L377	R55-M375 PolarHBondContact NE-O 2.99Å; R55-M375 PolarHBondContact NH2-O 3.05Å; P361-M375 HydrophobicContact CB-CE 4.49Å; P361-M375 HydrophobicContact CG-CE 4.1Å; M367-M375 HydrophobicContact CB-CE 3.88Å; M367-M375 HydrophobicContact CB-SD 4.41Å; M367-M375 HydrophobicContact CG-CE 4.34Å; F370-M375 HydrophobicContact CB-CE 4.08Å; F370-M375 HydrophobicContact CB-CG 3.67Å; F370-M375 HydrophobicContact CD2-CG 4.2Å; F370-M375 HydrophobicContact CG-CG 4.47Å; F370-M375 WeakPolarHBondContact O-CE 3.44Å; T371-M375 WeakPolarHBondContact O-CG 3.27Å; T371-M375 PolarHBondContact O-N 3.34Å; N372-M375 PolarHBondContact O-N 3.07Å; F373-M375 VanDerWaalsContact C-N 3.34Å; F373-M375 PolarHBondContact O-N 3.25Å; M375-L377 PolarHBondContact O-N 3.46Å
376	A	97.1	Very high	95.3	Very high	12 Å²	12	38.9 Å²	38.9	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-74.5	-20.5	-179.3	0	0	0	0	0	114.6	H54 N372 F373 A374 N378 E379	H54-A376 HydrophobicContact CB-CB 3.71Å; N372-A376 PolarHBondContact O-N 2.91Å; F373-A376 PolarHBondContact O-N 3.37Å; F373-A376 VanDerWaalsContact O-N 3.16Å; A374-A376 PolarHBondContact O-N 3.38Å; A376-N378 VanDerWaalsContact C-N 3.35Å; A376-N378 PolarHBondContact O-N 3.43Å; A376-E379 VanDerWaalsContact O-CB 3.31Å; A376-E379 WeakPolarHBondContact O-CB 3.34Å; A376-E379 PolarHBondContact O-N 3.28Å
377	L	98.2	Very high	95.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-40.8	-167.6	-70	175.6	0	0	0	114.2	L95 Q99 E103 F154 L156 F373 A374 M375 R394	L95-L377 HydrophobicContact CD1-CD1 4.23Å; L95-L377 HydrophobicContact CD2-CB 3.98Å; Q99-L377 HydrophobicContact CB-CB 4.33Å; Q99-L377 HydrophobicContact CB-CD1 4.12Å; Q99-L377 HydrophobicContact CG-CB 4.3Å; Q99-L377 WeakPolarHBondContact O-CD1 3.37Å; E103-L377 HydrophobicContact CG-CD1 3.73Å; F154-L377 HydrophobicContact CE1-CD2 4.31Å; F154-L377 WeakPolarHBondContact CE2-O 3.43Å; F154-L377 HydrophobicContact CZ-CB 4.32Å; F154-L377 HydrophobicContact CZ-CD2 4.01Å; L156-L377 HydrophobicContact CD1-CD2 4.37Å; L156-L377 HydrophobicContact CD2-CD2 3.8Å; F373-L377 HydrophobicContact CD1-CD1 4.49Å; F373-L377 HydrophobicContact CD1-CD2 4.19Å; F373-L377 HydrophobicContact CD1-CG 4.4Å; F373-L377 HydrophobicContact CE1-CD1 4.48Å; F373-L377 HydrophobicContact CE1-CD2 3.73Å; F373-L377 HydrophobicContact CE1-CG 4.38Å; F373-L377 HydrophobicContact CZ-CD2 4.44Å; A374-L377 PolarHBondContact O-N 2.86Å; M375-L377 PolarHBondContact O-N 3.46Å; L377-R394 PolarHBondContact O-NE 3.06Å; L377-R394 PolarHBondContact O-NH2 3.3Å
378	N	98.2	Very high	95.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	13	-176.2	-161.7	48.8	0	0	0	113.4	L95 Q99 A376 R394 R400 E403	L95-N378 HydrophobicContact CD2-CB 3.87Å; Q99-N378 PolarHBondContact NE2-OD1 3.47Å; A376-N378 VanDerWaalsContact C-N 3.35Å; A376-N378 PolarHBondContact O-N 3.43Å; N378-R394 WeakPolarHBondContact OD1-CA 3.37Å; N378-R400 PolarHBondContact O-NH1 2.97Å; N378-R400 PolarHBondContact O-NH2 3.32Å; N378-E403 WeakPolarHBondContact CB-OE1 3.3Å; N378-E403 PolarHBondContact ND2-OE1 3.05Å
379	E	96.8	Very high	95.4	Very high	40 Å²	40	35.5 Å²	35.5	19%	0.187	23%	0.229	C	C	.	.			trans	-65.2	131.8	171.2	-172.9	165.4	-148	0	0	110.2	R55 A376 E381 R394	R55-E379 WeakPolarHBondContact CB-OE1 3.19Å; R55-E379 HydrophobicContact CG-CB 4.13Å; R55-E379 HydrophobicContact CG-CG 4.19Å; R55-E379 WeakPolarHBondContact CG-OE2 3.48Å; R55-E379 PolarHBondContact N-OE1 2.6Å; R55-E379 PolarHBondContact N-OE2 2.92Å; A376-E379 VanDerWaalsContact O-CB 3.31Å; A376-E379 WeakPolarHBondContact O-CB 3.34Å; A376-E379 PolarHBondContact O-N 3.28Å; E379-E381 HydrophobicContact CG-CG 4.03Å; E379-R394 WeakPolarHBondContact O-CD 3.37Å; E379-R394 PolarHBondContact O-NE 3.45Å; E379-R394 VanDerWaalsContact O-NE 3.1Å
380	L	94.4	Very high	95.5	Very high	70 Å²	70	37.1 Å²	37.1	37%	0.366	24%	0.242	S	C	.	.			trans	-116.1	91.6	174.8	-172.9	68.7	0	0	0	108.4	M384 L388 R394 F395	L380-M384 HydrophobicContact CD1-CB 3.98Å; L380-L388 HydrophobicContact CD1-CD1 3.54Å; L380-R394 HydrophobicContact CD1-CB 4.06Å; L380-F395 HydrophobicContact CD1-CE1 4.24Å; L380-F395 HydrophobicContact CD2-CD1 4.3Å; L380-F395 HydrophobicContact CD2-CE1 4.19Å
381	E	90	Very high	95.6	Very high	39 Å²	39	37.1 Å²	37.1	18%	0.182	24%	0.242	C	C	.	.			trans	-71.4	154.4	-178.7	-57.6	-178.8	118.4	0	0	111.6	E379 G383 M384	E379-E381 HydrophobicContact CG-CG 4.03Å; E381-G383 PolarHBondContact O-N 2.85Å; E381-M384 HydrophobicContact CB-CG 3.93Å; E381-M384 HydrophobicContact CB-SD 3.68Å; E381-M384 HydrophobicContact CG-SD 3.87Å; E381-M384 PolarHBondContact N-SD 2.67Å; E381-M384 WeakPolarHBondContact O-CB 3.2Å; E381-M384 PolarHBondContact O-N 3.44Å; E381-M384 VanDerWaalsContact O-N 3.11Å
382	P	90	Very high	95.6	Very high	108 Å²	108	36.6 Å²	36.6	70%	0.701	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	127.6	172.2	-26	35	0	0	0	111.9
383	G	91.3	Very high	95.8	Very high	53 Å²	53	33 Å²	33	55%	0.546	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-21.3	179.7	0	0	0	0	0	115.2	E381 G385 A386	E381-G383 PolarHBondContact O-N 2.85Å; G383-G385 PolarHBondContact O-N 2.74Å; G383-A386 PolarHBondContact O-N 2.94Å; G383-A386 VanDerWaalsContact O-N 3.15Å
384	M	93.5	Very high	95.8	Very high	40 Å²	40	33 Å²	33	20%	0.197	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-56.9	-36.3	174.3	-73.1	-178.4	76	0	0	111.6	L380 E381 A386 I387 L388	L380-M384 HydrophobicContact CD1-CB 3.98Å; E381-M384 HydrophobicContact CB-CG 3.93Å; E381-M384 HydrophobicContact CB-SD 3.68Å; E381-M384 HydrophobicContact CG-SD 3.87Å; E381-M384 PolarHBondContact N-SD 2.67Å; E381-M384 WeakPolarHBondContact O-CB 3.2Å; E381-M384 PolarHBondContact O-N 3.44Å; E381-M384 VanDerWaalsContact O-N 3.11Å; M384-A386 PolarHBondContact O-N 2.8Å; M384-I387 PolarHBondContact O-N 2.82Å; M384-L388 HydrophobicContact CB-CD1 4.05Å; M384-L388 HydrophobicContact CB-CG 4.36Å; M384-L388 HydrophobicContact CE-CD1 4.22Å; M384-L388 HydrophobicContact CE-CD2 4.35Å; M384-L388 WeakPolarHBondContact O-CG 3.16Å; M384-L388 PolarHBondContact O-N 3.23Å
385	G	93.3	Very high	95.9	Very high	43 Å²	43	36.1 Å²	36.1	44%	0.443	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56.1	-26.5	-179.5	0	0	0	0	0	114.9	G383	G383-G385 PolarHBondContact O-N 2.74Å
386	A	93.4	Very high	95.9	Very high	98 Å²	98	36.2 Å²	36.2	81%	0.81	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-85.3	-11.8	178.9	0	0	0	0	0	113.7	G383 M384	G383-A386 PolarHBondContact O-N 2.94Å; G383-A386 VanDerWaalsContact O-N 3.15Å; M384-A386 PolarHBondContact O-N 2.8Å
387	I	95.1	Very high	96	Very high	91 Å²	91	37.2 Å²	37.2	47%	0.467	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-30.2	-172.7	-57	170.9	0	0	0	111.5	M384 Y464	M384-I387 PolarHBondContact O-N 2.82Å; I387-Y464 VanDerWaalsContact O-CE2 3.3Å; I387-Y464 WeakPolarHBondContact O-CE2 3.01Å
388	L	97.1	Very high	96	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	24%	0.238	C	C	.	.	S	Bend	trans	-69.8	150.1	-179.1	-68.6	172.3	0	0	0	111.8	E155 L380 M384 D392 F395	E155-L388 HydrophobicContact CG-CD2 3.58Å; E155-L388 WeakPolarHBondContact OE1-CD2 3.34Å; L380-L388 HydrophobicContact CD1-CD1 3.54Å; M384-L388 HydrophobicContact CB-CD1 4.05Å; M384-L388 HydrophobicContact CB-CG 4.36Å; M384-L388 HydrophobicContact CE-CD1 4.22Å; M384-L388 HydrophobicContact CE-CD2 4.35Å; M384-L388 WeakPolarHBondContact O-CG 3.16Å; M384-L388 PolarHBondContact O-N 3.23Å; L388-D392 HydrophobicContact CB-CB 4.13Å; L388-D392 HydrophobicContact CD1-CB 4.43Å; L388-D392 HydrophobicContact CD2-CB 4.3Å; L388-F395 HydrophobicContact CB-CE2 3.6Å; L388-F395 HydrophobicContact CB-CZ 3.88Å; L388-F395 HydrophobicContact CD1-CE2 4.13Å; L388-F395 HydrophobicContact CD1-CZ 4.02Å
389	A	97.5	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.238	C	C	.	.			trans	-64.2	143.2	167.2	0	0	0	0	0	109.7	T391 D392 F395 Y459 Y464 L467	A389-T391 PolarHBondContact O-N 3.14Å; A389-D392 VanDerWaalsContact O-CB 3.31Å; A389-D392 WeakPolarHBondContact O-CB 3.47Å; A389-D392 PolarHBondContact O-N 2.93Å; A389-F395 VanDerWaalsContact O-CE2 3.31Å; A389-F395 WeakPolarHBondContact O-CE2 3.31Å; A389-Y459 HydrophobicContact CB-CE2 4.31Å; A389-Y464 HydrophobicContact CB-CD1 4.23Å; A389-Y464 HydrophobicContact CB-CD2 4.11Å; A389-Y464 HydrophobicContact CB-CE1 4.07Å; A389-Y464 HydrophobicContact CB-CE2 3.93Å; A389-Y464 HydrophobicContact CB-CG 4.25Å; A389-L467 HydrophobicContact CB-CD1 3.96Å
390	P	97.4	Very high	96	Very high	75 Å²	75	37.6 Å²	37.6	49%	0.487	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.8	174.4	23.4	-36	0	0	0	113.5	L467 Y471	P390-L467 HydrophobicContact CG-CB 4.25Å; P390-L467 HydrophobicContact CG-CD1 4.08Å; P390-Y471 WeakPolarHBondContact O-CD2 3.08Å; P390-Y471 VanDerWaalsContact O-CE2 3.31Å; P390-Y471 WeakPolarHBondContact O-CE2 3.25Å
391	T	98.3	Very high	96.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	0.6	175.2	52.4	0	0	0	0	113.8	T153 A389 C393 L467 P468 I470 Y471	T153-T391 PolarHBondContact N-O 2.8Å; T153-T391 WeakPolarHBondContact OG1-CB 3.4Å; T153-T391 PolarHBondContact OG1-O 2.81Å; T153-T391 PolarHBondContact OG1-OG1 2.78Å; A389-T391 PolarHBondContact O-N 3.14Å; T391-C393 PolarHBondContact O-N 3.45Å; T391-L467 HydrophobicContact CG2-CB 4.46Å; T391-P468 HydrophobicContact CG2-CG 3.86Å; T391-P468 WeakPolarHBondContact CG2-O 3.42Å; T391-I470 HydrophobicContact CG2-CD1 3.98Å; T391-I470 HydrophobicContact CG2-CG1 4.24Å; T391-Y471 PolarHBondContact O-OH 3.47Å; T391-Y471 VanDerWaalsContact O-OH 3.07Å
392	D	98.8	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-68.2	129.1	178.8	-169.7	-89.2	0	0	0	110.9	T153 F154 E155 L388 A389 R394 F395 Y471	T153-D392 CarbonylContact O-C 3.58Å; T153-D392 VanDerWaalsContact O-CA 3.26Å; T153-D392 WeakPolarHBondContact O-CA 3.33Å; T153-D392 PolarHBondContact OG1-N 2.93Å; F154-D392 WeakPolarHBondContact CA-OD2 3.36Å; E155-D392 PolarHBondContact N-OD2 2.85Å; L388-D392 HydrophobicContact CB-CB 4.13Å; L388-D392 HydrophobicContact CD1-CB 4.43Å; L388-D392 HydrophobicContact CD2-CB 4.3Å; A389-D392 VanDerWaalsContact O-CB 3.31Å; A389-D392 WeakPolarHBondContact O-CB 3.47Å; A389-D392 PolarHBondContact O-N 2.93Å; D392-R394 PolarHBondContact O-N 3.41Å; D392-R394 VanDerWaalsContact OD1-CB 3.26Å; D392-R394 WeakPolarHBondContact OD1-CB 3.43Å; D392-R394 WeakPolarHBondContact OD1-CD 3.18Å; D392-R394 WeakPolarHBondContact OD1-CG 3.45Å; D392-R394 IonicContact OD1-CZ 3.62Å; D392-R394 PolarHBondContact OD1-N 2.86Å; D392-R394 VanDerWaalsContact OD1-N 3.09Å; D392-R394 IonicContact OD1-NH1 3.6Å; D392-R394 PolarHBondContact OD1-NH1 2.77Å; D392-R394 IonicContact OD2-NH1 3.96Å; D392-R394 PolarHBondContact OD2-NH1 2.83Å; D392-R394 VanDerWaalsContact OD2-NH1 3.16Å; D392-F395 HydrophobicContact CB-CD2 4.15Å; D392-F395 HydrophobicContact CB-CE2 4.34Å; D392-F395 WeakPolarHBondContact O-CB 3.16Å; D392-F395 PolarHBondContact O-N 3.01Å; D392-Y471 WeakPolarHBondContact O-CE2 3.48Å; D392-Y471 PolarHBondContact O-OH 3.09Å
393	C	98.5	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-65	-9.3	-173.2	72.7	0	0	0	0	114.8	Q99 E152 T153 F154 T391 F395 R396 Y471	Q99-C393 PolarHBondContact NE2-SG 2.64Å; Q99-C393 VanDerWaalsContact NE2-SG 3.37Å; E152-C393 HydrophobicContact CG-CB 3.93Å; E152-C393 WeakPolarHBondContact OE1-CB 3.19Å; T153-C393 PolarHBondContact O-N 2.91Å; F154-C393 WeakPolarHBondContact CD2-SG 3.39Å; T391-C393 PolarHBondContact O-N 3.45Å; C393-F395 PolarHBondContact O-N 3.25Å; C393-R396 WeakPolarHBondContact O-CB 3.14Å; C393-R396 PolarHBondContact O-N 3.2Å; C393-R396 VanDerWaalsContact O-N 3.14Å; C393-Y471 VanDerWaalsContact CA-OH 3.27Å; C393-Y471 WeakPolarHBondContact CA-OH 3.47Å; C393-Y471 PolarHBondContact N-OH 2.95Å
394	R	98.5	Very high	97.2	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.038	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23.7	168.3	-67.6	174.6	-174.7	89.2	-2.6	113.5	E155 L377 N378 E379 L380 D392 R396 R400	E155-R394 VanDerWaalsContact O-CZ 3.31Å; E155-R394 PolarHBondContact O-NH1 3.26Å; E155-R394 PolarHBondContact O-NH2 2.92Å; L377-R394 PolarHBondContact O-NE 3.06Å; L377-R394 PolarHBondContact O-NH2 3.3Å; N378-R394 WeakPolarHBondContact OD1-CA 3.37Å; E379-R394 WeakPolarHBondContact O-CD 3.37Å; E379-R394 PolarHBondContact O-NE 3.45Å; E379-R394 VanDerWaalsContact O-NE 3.1Å; L380-R394 HydrophobicContact CD1-CB 4.06Å; D392-R394 PolarHBondContact O-N 3.41Å; D392-R394 VanDerWaalsContact OD1-CB 3.26Å; D392-R394 WeakPolarHBondContact OD1-CB 3.43Å; D392-R394 WeakPolarHBondContact OD1-CD 3.18Å; D392-R394 WeakPolarHBondContact OD1-CG 3.45Å; D392-R394 IonicContact OD1-CZ 3.62Å; D392-R394 PolarHBondContact OD1-N 2.86Å; D392-R394 VanDerWaalsContact OD1-N 3.09Å; D392-R394 IonicContact OD1-NH1 3.6Å; D392-R394 PolarHBondContact OD1-NH1 2.77Å; D392-R394 IonicContact OD2-NH1 3.96Å; D392-R394 PolarHBondContact OD2-NH1 2.83Å; D392-R394 VanDerWaalsContact OD2-NH1 3.16Å; R394-R396 VanDerWaalsContact C-N 3.34Å; R394-R400 PolarHBondContact O-NH2 3.33Å
395	F	98.5	Very high	97.3	Very high	67 Å²	67	28.4 Å²	28.4	29%	0.294	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-85.4	-8	174.2	-61	-56.3	0	0	0	113.2	L380 L388 A389 D392 C393 P397 Y471	L380-F395 HydrophobicContact CD1-CE1 4.24Å; L380-F395 HydrophobicContact CD2-CD1 4.3Å; L380-F395 HydrophobicContact CD2-CE1 4.19Å; L388-F395 HydrophobicContact CB-CE2 3.6Å; L388-F395 HydrophobicContact CB-CZ 3.88Å; L388-F395 HydrophobicContact CD1-CE2 4.13Å; L388-F395 HydrophobicContact CD1-CZ 4.02Å; A389-F395 VanDerWaalsContact O-CE2 3.31Å; A389-F395 WeakPolarHBondContact O-CE2 3.31Å; D392-F395 HydrophobicContact CB-CD2 4.15Å; D392-F395 HydrophobicContact CB-CE2 4.34Å; D392-F395 WeakPolarHBondContact O-CB 3.16Å; D392-F395 PolarHBondContact O-N 3.01Å; C393-F395 PolarHBondContact O-N 3.25Å; F395-P397 WeakPolarHBondContact O-CD 3.39Å; F395-Y471 HydrophobicContact CB-CD2 3.98Å; F395-Y471 HydrophobicContact CB-CE2 3.85Å
396	R	98.5	Very high	97.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	19%	0.185	C	C	.	.			trans	-68.9	117.1	-175.2	-164.3	-179.1	155.7	160	-0.7	110.7	N147 E152 C393 R394 D398 I399 R400 L417 Y471	N147-R396 PolarHBondContact O-NH1 2.92Å; E152-R396 IonicContact OE1-NH1 3.25Å; E152-R396 WeakPolarHBondContact OE2-CD 3.24Å; E152-R396 IonicContact OE2-CZ 3.39Å; E152-R396 IonicContact OE2-NE 3.36Å; E152-R396 IonicContact OE2-NH1 3.84Å; E152-R396 PolarHBondContact OE2-NH1 3.35Å; C393-R396 WeakPolarHBondContact O-CB 3.14Å; C393-R396 PolarHBondContact O-N 3.2Å; C393-R396 VanDerWaalsContact O-N 3.14Å; R394-R396 VanDerWaalsContact C-N 3.34Å; R396-D398 WeakPolarHBondContact CD-OD1 3.37Å; R396-D398 WeakPolarHBondContact CG-OD1 3.49Å; R396-D398 IonicContact CZ-OD1 2.68Å; R396-D398 IonicContact CZ-OD2 3.92Å; R396-D398 IonicContact NE-OD1 2.81Å; R396-D398 PolarHBondContact NE-OD1 3.49Å; R396-D398 IonicContact NE-OD2 3.78Å; R396-D398 PolarHBondContact NE-OD2 3.08Å; R396-D398 IonicContact NH2-OD1 3.81Å; R396-D398 IonicContact NH2-OD2 2.79Å; R396-D398 PolarHBondContact NH2-OD2 3.33Å; R396-I399 HydrophobicContact CB-CD1 4.28Å; R396-I399 HydrophobicContact CB-CG1 4.37Å; R396-I399 HydrophobicContact CG-CD1 4.42Å; R396-I399 HydrophobicContact CG-CG1 4.34Å; R396-I399 PolarHBondContact O-N 2.97Å; R396-R400 PolarHBondContact O-N 3.04Å; R396-R400 VanDerWaalsContact O-N 3.15Å; R396-L417 HydrophobicContact CG-CD1 3.94Å; R396-Y471 HydrophobicContact CB-CD1 4.2Å; R396-Y471 HydrophobicContact CB-CE1 3.65Å; R396-Y471 HydrophobicContact CB-CE2 4.37Å; R396-Y471 HydrophobicContact CG-CD1 3.81Å; R396-Y471 HydrophobicContact CG-CE1 3.43Å; R396-Y471 VanDerWaalsContact CG-CE1 3.43Å
397	P	98.3	Very high	97.4	Very high	33 Å²	33	27.7 Å²	27.7	21%	0.214	16%	0.155	C	C	.	.	H	α-helix	trans	-72.1	-34.5	-164.4	24.7	-34.1	0	0	0	114.4	F395 R400 A401 E413 L417	F395-P397 WeakPolarHBondContact O-CD 3.39Å; P397-R400 PolarHBondContact O-N 3.29Å; P397-A401 VanDerWaalsContact O-CB 3.31Å; P397-A401 WeakPolarHBondContact O-CB 3.49Å; P397-A401 PolarHBondContact O-N 3.37Å; P397-E413 HydrophobicContact CB-CB 4.35Å; P397-E413 HydrophobicContact CB-CG 4.13Å; P397-E413 VanDerWaalsContact CB-OE2 3.32Å; P397-E413 WeakPolarHBondContact CB-OE2 3.36Å; P397-E413 HydrophobicContact CG-CB 4.37Å; P397-E413 HydrophobicContact CG-CG 4.45Å; P397-E413 WeakPolarHBondContact CG-OE2 3.42Å; P397-L417 HydrophobicContact CG-CD1 4.08Å; P397-L417 HydrophobicContact CG-CD2 4.47Å
398	D	98.1	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-44.9	176.8	60.1	-10.8	0	0	0	112.1	F146 R396 M402 A410 E413 K414 L417	F146-D398 WeakPolarHBondContact CD1-OD2 2.97Å; F146-D398 HydrophobicContact CE1-CB 4.11Å; F146-D398 WeakPolarHBondContact CE1-OD2 3.49Å; R396-D398 WeakPolarHBondContact CD-OD1 3.37Å; R396-D398 WeakPolarHBondContact CG-OD1 3.49Å; R396-D398 IonicContact CZ-OD1 2.68Å; R396-D398 IonicContact CZ-OD2 3.92Å; R396-D398 IonicContact NE-OD1 2.81Å; R396-D398 PolarHBondContact NE-OD1 3.49Å; R396-D398 IonicContact NE-OD2 3.78Å; R396-D398 PolarHBondContact NE-OD2 3.08Å; R396-D398 IonicContact NH2-OD1 3.81Å; R396-D398 IonicContact NH2-OD2 2.79Å; R396-D398 PolarHBondContact NH2-OD2 3.33Å; D398-M402 WeakPolarHBondContact O-CB 2.97Å; D398-M402 PolarHBondContact O-N 3.23Å; D398-A410 WeakPolarHBondContact CB-O 2.9Å; D398-A410 WeakPolarHBondContact O-CB 3.14Å; D398-E413 HydrophobicContact CB-CB 3.95Å; D398-K414 HydrophobicContact CB-CB 3.89Å; D398-L417 HydrophobicContact CB-CD1 4.21Å
399	I	98.2	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-46	174.9	-56.7	-174	0	0	0	110.1	P94 F146 R396 M402 E403	P94-I399 HydrophobicContact CB-CG2 4.46Å; P94-I399 WeakPolarHBondContact O-CG2 3.41Å; F146-I399 HydrophobicContact CB-CD1 3.9Å; F146-I399 HydrophobicContact CB-CG1 4.1Å; F146-I399 HydrophobicContact CD1-CG1 3.96Å; F146-I399 HydrophobicContact CD2-CD1 4.25Å; F146-I399 HydrophobicContact CD2-CG1 3.77Å; F146-I399 HydrophobicContact CE1-CG1 4.3Å; F146-I399 HydrophobicContact CE2-CG1 4.11Å; F146-I399 HydrophobicContact CG-CD1 4.05Å; F146-I399 HydrophobicContact CG-CG1 3.69Å; F146-I399 HydrophobicContact CZ-CG1 4.36Å; R396-I399 HydrophobicContact CB-CD1 4.28Å; R396-I399 HydrophobicContact CB-CG1 4.37Å; R396-I399 HydrophobicContact CG-CD1 4.42Å; R396-I399 HydrophobicContact CG-CG1 4.34Å; R396-I399 PolarHBondContact O-N 2.97Å; I399-M402 PolarHBondContact O-N 2.85Å; I399-E403 WeakPolarHBondContact O-CB 3.41Å; I399-E403 PolarHBondContact O-N 2.98Å
400	R	98.1	Very high	97.2	Very high	49 Å²	49	33.4 Å²	33.4	19%	0.185	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-43.6	-178.6	-174.4	60.5	61.8	-166.9	0.5	112.1	N378 R394 R396 P397 M402 E403 N404	N378-R400 PolarHBondContact O-NH1 2.97Å; N378-R400 PolarHBondContact O-NH2 3.32Å; R394-R400 PolarHBondContact O-NH2 3.33Å; R396-R400 PolarHBondContact O-N 3.04Å; R396-R400 VanDerWaalsContact O-N 3.15Å; P397-R400 PolarHBondContact O-N 3.29Å; R400-M402 VanDerWaalsContact C-N 3.34Å; R400-E403 IonicContact CZ-OE2 3.49Å; R400-E403 IonicContact NH1-OE1 2.69Å; R400-E403 IonicContact NH1-OE2 3.47Å; R400-E403 PolarHBondContact NH1-OE2 2.89Å; R400-E403 PolarHBondContact O-N 3.07Å; R400-N404 WeakPolarHBondContact O-CB 3.31Å; R400-N404 PolarHBondContact O-N 3.48Å; R400-N404 VanDerWaalsContact O-N 3.11Å; R400-N404 PolarHBondContact O-ND2 3.45Å; R400-N404 VanDerWaalsContact O-ND2 3.12Å
401	A	97.9	Very high	96.9	Very high	10 Å²	10	32 Å²	32	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-44.2	177	0	0	0	0	0	110.9	P397 N404 G405 N406 E409 A410	P397-A401 VanDerWaalsContact O-CB 3.31Å; P397-A401 WeakPolarHBondContact O-CB 3.49Å; P397-A401 PolarHBondContact O-N 3.37Å; A401-N404 CarbonylContact O-C 3.51Å; A401-N404 PolarHBondContact O-N 2.8Å; A401-G405 PolarHBondContact O-N 3.15Å; A401-N406 HydrophobicContact CB-CB 4.36Å; A401-N406 WeakPolarHBondContact O-CB 3.1Å; A401-N406 PolarHBondContact O-N 2.9Å; A401-E409 HydrophobicContact CB-CB 4.1Å; A401-E409 HydrophobicContact CB-CG 3.96Å; A401-A410 HydrophobicContact CB-CB 3.69Å
402	M	97.1	Very high	96.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-42.4	177.4	-177.9	177.5	170.1	0	0	112.5	F63 I89 N92 P94 F146 Y368 D398 I399 R400 N404 G405 I407 A410	F63-M402 HydrophobicContact CE1-CE 3.43Å; F63-M402 VanDerWaalsContact CE1-CE 3.43Å; F63-M402 HydrophobicContact CE1-CG 4.32Å; F63-M402 HydrophobicContact CZ-CE 3.65Å; I89-M402 HydrophobicContact CD1-SD 4.49Å; I89-M402 HydrophobicContact CG1-SD 3.8Å; N92-M402 HydrophobicContact CB-CE 3.87Å; N92-M402 HydrophobicContact CB-SD 3.87Å; N92-M402 WeakPolarHBondContact O-CE 3.34Å; P94-M402 HydrophobicContact CB-CG 4.37Å; F146-M402 HydrophobicContact CE2-SD 3.44Å; F146-M402 WeakPolarHBondContact CE2-SD 3.41Å; F146-M402 HydrophobicContact CZ-CB 4.41Å; F146-M402 HydrophobicContact CZ-SD 3.53Å; F146-M402 VanDerWaalsContact CZ-SD 3.53Å; Y368-M402 HydrophobicContact CE1-CE 3.8Å; D398-M402 WeakPolarHBondContact O-CB 2.97Å; D398-M402 PolarHBondContact O-N 3.23Å; I399-M402 PolarHBondContact O-N 2.85Å; R400-M402 VanDerWaalsContact C-N 3.34Å; M402-N404 PolarHBondContact O-N 3.26Å; M402-G405 PolarHBondContact O-N 3.15Å; M402-I407 HydrophobicContact CG-CD1 4.02Å; M402-A410 HydrophobicContact CB-CB 3.84Å
403	E	97.6	Very high	96.8	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-33.4	177	-163.1	-172	-110.7	0	0	112.5	R55 L58 P94 N378 I399 R400 G405	R55-E403 IonicContact CZ-OE1 3.59Å; R55-E403 IonicContact CZ-OE2 3.37Å; R55-E403 IonicContact NH1-OE1 3.58Å; R55-E403 PolarHBondContact NH1-OE1 3.31Å; R55-E403 IonicContact NH1-OE2 3.2Å; R55-E403 PolarHBondContact NH1-OE2 2.62Å; R55-E403 IonicContact NH2-OE1 3.47Å; R55-E403 PolarHBondContact NH2-OE1 2.95Å; R55-E403 IonicContact NH2-OE2 3.85Å; L58-E403 HydrophobicContact CD2-CG 4.27Å; P94-E403 HydrophobicContact CB-CB 3.78Å; P94-E403 HydrophobicContact CB-CG 4.1Å; P94-E403 HydrophobicContact CG-CB 4.47Å; P94-E403 HydrophobicContact CG-CG 4.34Å; N378-E403 WeakPolarHBondContact CB-OE1 3.3Å; N378-E403 PolarHBondContact ND2-OE1 3.05Å; I399-E403 WeakPolarHBondContact O-CB 3.41Å; I399-E403 PolarHBondContact O-N 2.98Å; R400-E403 IonicContact CZ-OE2 3.49Å; R400-E403 IonicContact NH1-OE1 2.69Å; R400-E403 IonicContact NH1-OE2 3.47Å; R400-E403 PolarHBondContact NH1-OE2 2.89Å; R400-E403 PolarHBondContact O-N 3.07Å; E403-G405 VanDerWaalsContact C-N 3.3Å
404	N	97.4	Very high	96.6	Very high	68 Å²	68	40.4 Å²	40.4	36%	0.364	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2	176.2	-70.2	-35.7	0	0	0	113.7	P59 A60 R400 A401 M402	P59-N404 WeakPolarHBondContact CB-OD1 3.48Å; P59-N404 WeakPolarHBondContact CG-OD1 3.37Å; A60-N404 VanDerWaalsContact CB-C 3.5Å; R400-N404 WeakPolarHBondContact O-CB 3.31Å; R400-N404 PolarHBondContact O-N 3.48Å; R400-N404 VanDerWaalsContact O-N 3.11Å; R400-N404 PolarHBondContact O-ND2 3.45Å; R400-N404 VanDerWaalsContact O-ND2 3.12Å; A401-N404 CarbonylContact O-C 3.51Å; A401-N404 PolarHBondContact O-N 2.8Å; M402-N404 PolarHBondContact O-N 3.26Å
405	G	95.4	Very high	96.3	Very high	36 Å²	36	45.5 Å²	45.5	37%	0.371	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	7.1	178.8	0	0	0	0	0	115.3	A401 M402 E403 I407	A401-G405 PolarHBondContact O-N 3.15Å; M402-G405 PolarHBondContact O-N 3.15Å; E403-G405 VanDerWaalsContact C-N 3.3Å; G405-I407 PolarHBondContact O-N 3.2Å
406	N	96	Very high	96.2	Very high	92 Å²	92	46.8 Å²	46.8	49%	0.492	24%	0.24	S	C	.	.			trans	-91.3	77.3	-178.7	-61.6	-29.1	0	0	0	110.8	A401 D408 E409 A410	A401-N406 HydrophobicContact CB-CB 4.36Å; A401-N406 WeakPolarHBondContact O-CB 3.1Å; A401-N406 PolarHBondContact O-N 2.9Å; N406-D408 PolarHBondContact O-N 3.24Å; N406-E409 HydrophobicContact CB-CB 4.14Å; N406-E409 PolarHBondContact O-N 3.22Å; N406-A410 VanDerWaalsContact O-CB 3.26Å; N406-A410 WeakPolarHBondContact O-CB 3.08Å; N406-A410 PolarHBondContact O-N 3.48Å
407	I	92.4	Very high	96.2	Very high	35 Å²	35	46.7 Å²	46.7	18%	0.179	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-36.4	-172.1	-61.2	-58.2	0	0	0	114	F63 I89 V90 M402 G405 A410 S411	F63-I407 HydrophobicContact CD1-CD1 3.3Å; F63-I407 HydrophobicContact CD1-CG1 3.91Å; F63-I407 HydrophobicContact CE1-CD1 3.45Å; F63-I407 VanDerWaalsContact CE1-CD1 3.45Å; F63-I407 HydrophobicContact CE1-CG1 4.46Å; F63-I407 HydrophobicContact CG-CD1 4.16Å; F63-I407 HydrophobicContact CG-CG1 4.35Å; F63-I407 HydrophobicContact CZ-CD1 4.45Å; I89-I407 HydrophobicContact CG2-CG2 3.69Å; V90-I407 HydrophobicContact CG1-CG2 4.47Å; M402-I407 HydrophobicContact CG-CD1 4.02Å; G405-I407 PolarHBondContact O-N 3.2Å; I407-A410 PolarHBondContact O-N 2.9Å; I407-S411 WeakPolarHBondContact O-CB 3.12Å; I407-S411 PolarHBondContact O-N 2.91Å; I407-S411 PolarHBondContact O-OG 3.11Å
408	D	92.6	Very high	95.9	Very high	127 Å²	127	47 Å²	47	68%	0.679	24%	0.238	S	C	*	.	H	α-helix	trans	-66.1	-45.9	178.5	-63.6	-21.1	0	0	0	111.1	N406 S411 K412	N406-D408 PolarHBondContact O-N 3.24Å; D408-S411 PolarHBondContact O-N 3.19Å; D408-K412 WeakPolarHBondContact O-CG 3.37Å; D408-K412 PolarHBondContact O-N 2.88Å; D408-K412 VanDerWaalsContact O-N 3.08Å
409	E	96.5	Very high	95.7	Very high	93 Å²	93	51.6 Å²	51.6	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-44.3	176	-175.3	63.4	-172.2	0	0	111.1	A401 N406 S411 K412 E413	A401-E409 HydrophobicContact CB-CB 4.1Å; A401-E409 HydrophobicContact CB-CG 3.96Å; N406-E409 HydrophobicContact CB-CB 4.14Å; N406-E409 PolarHBondContact O-N 3.22Å; E409-S411 VanDerWaalsContact C-N 3.25Å; E409-S411 PolarHBondContact O-N 2.9Å; E409-K412 PolarHBondContact O-N 3.25Å; E409-E413 HydrophobicContact CG-CG 4.42Å; E409-E413 WeakPolarHBondContact O-CB 3.39Å; E409-E413 WeakPolarHBondContact O-CG 3.46Å; E409-E413 PolarHBondContact O-N 2.69Å
410	A	96.1	Very high	95.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-37.6	177.9	0	0	0	0	0	112.1	I89 D398 A401 M402 N406 I407 K414	I89-A410 HydrophobicContact CD1-CB 3.32Å; I89-A410 VanDerWaalsContact CD1-O 3.27Å; I89-A410 WeakPolarHBondContact CD1-O 3.16Å; I89-A410 HydrophobicContact CG1-CB 4.45Å; D398-A410 WeakPolarHBondContact CB-O 2.9Å; D398-A410 WeakPolarHBondContact O-CB 3.14Å; A401-A410 HydrophobicContact CB-CB 3.69Å; M402-A410 HydrophobicContact CB-CB 3.84Å; N406-A410 VanDerWaalsContact O-CB 3.26Å; N406-A410 WeakPolarHBondContact O-CB 3.08Å; N406-A410 PolarHBondContact O-N 3.48Å; I407-A410 PolarHBondContact O-N 2.9Å; A410-K414 WeakPolarHBondContact O-CB 3.37Å; A410-K414 PolarHBondContact O-N 2.84Å
411	S	92.9	Very high	95.4	Very high	47 Å²	47	53.7 Å²	53.7	33%	0.329	27%	0.27	S	S	.	.	H	α-helix	trans	-67.1	-45.3	176.2	-58.3	0	0	0	0	112	I89 I407 D408 E409 K414 E415	I89-S411 WeakPolarHBondContact CG2-OG 3.42Å; I407-S411 WeakPolarHBondContact O-CB 3.12Å; I407-S411 PolarHBondContact O-N 2.91Å; I407-S411 PolarHBondContact O-OG 3.11Å; D408-S411 PolarHBondContact O-N 3.19Å; E409-S411 VanDerWaalsContact C-N 3.25Å; E409-S411 PolarHBondContact O-N 2.9Å; S411-K414 PolarHBondContact O-N 3.31Å; S411-E415 PolarHBondContact O-N 2.81Å; S411-E415 VanDerWaalsContact O-N 3.08Å
412	K	95.7	Very high	95.2	Very high	130 Å²	130	58.2 Å²	58.2	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-47.7	177.5	-70.7	172.2	-175.9	173.9	0	112	D408 E409 K414 E415 R416	D408-K412 WeakPolarHBondContact O-CG 3.37Å; D408-K412 PolarHBondContact O-N 2.88Å; D408-K412 VanDerWaalsContact O-N 3.08Å; E409-K412 PolarHBondContact O-N 3.25Å; K412-K414 VanDerWaalsContact C-N 3.3Å; K412-K414 PolarHBondContact O-N 3.31Å; K412-E415 PolarHBondContact O-N 3.25Å; K412-R416 WeakPolarHBondContact O-CB 3.46Å; K412-R416 PolarHBondContact O-N 2.65Å
413	E	97.8	Very high	95	Very high	32 Å²	32	60.7 Å²	60.7	15%	0.15	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-36.8	179.2	-74.3	-64.5	104.3	0	0	111.3	P397 D398 E409 R416 L417	P397-E413 HydrophobicContact CB-CB 4.35Å; P397-E413 HydrophobicContact CB-CG 4.13Å; P397-E413 VanDerWaalsContact CB-OE2 3.32Å; P397-E413 WeakPolarHBondContact CB-OE2 3.36Å; P397-E413 HydrophobicContact CG-CB 4.37Å; P397-E413 HydrophobicContact CG-CG 4.45Å; P397-E413 WeakPolarHBondContact CG-OE2 3.42Å; D398-E413 HydrophobicContact CB-CB 3.95Å; E409-E413 HydrophobicContact CG-CG 4.42Å; E409-E413 WeakPolarHBondContact O-CB 3.39Å; E409-E413 WeakPolarHBondContact O-CG 3.46Å; E409-E413 PolarHBondContact O-N 2.69Å; E413-R416 PolarHBondContact O-N 2.68Å; E413-R416 IonicContact OE1-CZ 3.99Å; E413-R416 IonicContact OE1-NE 3.83Å; E413-R416 PolarHBondContact OE1-NE 3.5Å; E413-R416 IonicContact OE1-NH2 2.97Å; E413-R416 IonicContact OE2-CZ 3.34Å; E413-R416 IonicContact OE2-NE 3.63Å; E413-R416 PolarHBondContact OE2-NE 3.15Å; E413-R416 IonicContact OE2-NH2 3.91Å; E413-R416 PolarHBondContact OE2-NH2 2.98Å; E413-L417 WeakPolarHBondContact O-CB 3.44Å; E413-L417 WeakPolarHBondContact O-CG 3.41Å; E413-L417 PolarHBondContact O-N 2.95Å
414	K	94.4	Very high	94.9	Very high	15 Å²	15	62.5 Å²	62.5	7%	0.065	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-47.5	175.3	-178.1	178.5	-177.8	176.2	0	111.6	M87 I89 N92 F146 D398 A410 S411 K412 L417 E418	M87-K414 PolarHBondContact O-NZ 2.69Å; I89-K414 HydrophobicContact CD1-CB 4.49Å; I89-K414 HydrophobicContact CD1-CD 4.3Å; N92-K414 PolarHBondContact OD1-NZ 3.46Å; N92-K414 VanDerWaalsContact OD1-NZ 3.08Å; F146-K414 HydrophobicContact CE1-CD 4.25Å; D398-K414 HydrophobicContact CB-CB 3.89Å; A410-K414 WeakPolarHBondContact O-CB 3.37Å; A410-K414 PolarHBondContact O-N 2.84Å; S411-K414 PolarHBondContact O-N 3.31Å; K412-K414 VanDerWaalsContact C-N 3.3Å; K412-K414 PolarHBondContact O-N 3.31Å; K414-L417 PolarHBondContact O-N 3.37Å; K414-E418 WeakPolarHBondContact CE-OE1 3.25Å; K414-E418 WeakPolarHBondContact O-CB 3.36Å; K414-E418 WeakPolarHBondContact O-CG 3.44Å; K414-E418 PolarHBondContact O-N 3.36Å
415	E	92.9	Very high	94.6	Very high	117 Å²	117	65.4 Å²	65.4	55%	0.547	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-48	176.7	-176.8	171	-156	0	0	111.3	S411 K412 L417 E418 E419	S411-E415 PolarHBondContact O-N 2.81Å; S411-E415 VanDerWaalsContact O-N 3.08Å; K412-E415 PolarHBondContact O-N 3.25Å; E415-L417 VanDerWaalsContact C-N 3.34Å; E415-L417 PolarHBondContact O-N 2.93Å; E415-E418 PolarHBondContact O-N 3.41Å; E415-E419 WeakPolarHBondContact O-CB 3.28Å; E415-E419 WeakPolarHBondContact O-CG 3.21Å; E415-E419 PolarHBondContact O-N 3.08Å
416	R	97	Very high	94.5	Very high	93 Å²	93	69.6 Å²	69.6	35%	0.351	34%	0.335	S	S	.	.	H	α-helix	trans	-56.7	-44.7	177.1	-171.1	-175.4	67.1	71	0.2	112.5	K412 E413 K420 Y471	K412-R416 WeakPolarHBondContact O-CB 3.46Å; K412-R416 PolarHBondContact O-N 2.65Å; E413-R416 PolarHBondContact O-N 2.68Å; E413-R416 IonicContact OE1-CZ 3.99Å; E413-R416 IonicContact OE1-NE 3.83Å; E413-R416 PolarHBondContact OE1-NE 3.5Å; E413-R416 IonicContact OE1-NH2 2.97Å; E413-R416 IonicContact OE2-CZ 3.34Å; E413-R416 IonicContact OE2-NE 3.63Å; E413-R416 PolarHBondContact OE2-NE 3.15Å; E413-R416 IonicContact OE2-NH2 3.91Å; E413-R416 PolarHBondContact OE2-NH2 2.98Å; R416-K420 WeakPolarHBondContact O-CB 3.3Å; R416-K420 PolarHBondContact O-N 3.36Å; R416-Y471 PolarHBondContact NH1-OXT 2.96Å; R416-Y471 PolarHBondContact NH2-OXT 3.09Å
417	L	96.8	Very high	94.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.4	-44.9	178.9	-70.5	174.2	0	0	0	112.1	L149 R396 P397 D398 E413 K414 E415 E419 K420 Q421 Y471	L149-L417 HydrophobicContact CD1-CB 4.21Å; L149-L417 HydrophobicContact CD1-CD2 4.11Å; L149-L417 HydrophobicContact CD2-CB 4.49Å; R396-L417 HydrophobicContact CG-CD1 3.94Å; P397-L417 HydrophobicContact CG-CD1 4.08Å; P397-L417 HydrophobicContact CG-CD2 4.47Å; D398-L417 HydrophobicContact CB-CD1 4.21Å; E413-L417 WeakPolarHBondContact O-CB 3.44Å; E413-L417 WeakPolarHBondContact O-CG 3.41Å; E413-L417 PolarHBondContact O-N 2.95Å; K414-L417 PolarHBondContact O-N 3.37Å; E415-L417 VanDerWaalsContact C-N 3.34Å; E415-L417 PolarHBondContact O-N 2.93Å; L417-E419 VanDerWaalsContact C-N 3.31Å; L417-E419 PolarHBondContact O-N 3.43Å; L417-K420 PolarHBondContact O-N 3.01Å; L417-Q421 WeakPolarHBondContact O-CB 3.13Å; L417-Q421 PolarHBondContact O-N 2.77Å; L417-Y471 VanDerWaalsContact CD2-CA 3.49Å; L417-Y471 HydrophobicContact CD2-CD1 4.12Å; L417-Y471 WeakPolarHBondContact CD2-OXT 3.28Å
418	E	92.3	Very high	94.4	Very high	40 Å²	40	70.2 Å²	70.2	19%	0.187	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-37.2	177.2	-73.2	-177.7	-171	0	0	111.2	T86 K414 E415 R422	T86-E418 WeakPolarHBondContact CG2-OE2 3.47Å; T86-E418 PolarHBondContact OG1-OE2 3.31Å; K414-E418 WeakPolarHBondContact CE-OE1 3.25Å; K414-E418 WeakPolarHBondContact O-CB 3.36Å; K414-E418 WeakPolarHBondContact O-CG 3.44Å; K414-E418 PolarHBondContact O-N 3.36Å; E415-E418 PolarHBondContact O-N 3.41Å; E418-R422 WeakPolarHBondContact O-CB 3.44Å; E418-R422 VanDerWaalsContact O-CG 3.27Å; E418-R422 WeakPolarHBondContact O-CG 3.29Å; E418-R422 PolarHBondContact O-N 3.43Å; E418-R422 PolarHBondContact O-NE 2.91Å
419	E	94	Very high	94.4	Very high	96 Å²	96	67.8 Å²	67.8	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-49.4	172	-78.6	-177.7	172.3	0	0	113.2	E415 L417 Q421 R422 A423	E415-E419 WeakPolarHBondContact O-CB 3.28Å; E415-E419 WeakPolarHBondContact O-CG 3.21Å; E415-E419 PolarHBondContact O-N 3.08Å; L417-E419 VanDerWaalsContact C-N 3.31Å; L417-E419 PolarHBondContact O-N 3.43Å; E419-Q421 VanDerWaalsContact C-N 3.27Å; E419-Q421 PolarHBondContact O-N 2.65Å; E419-R422 PolarHBondContact O-N 3.45Å; E419-R422 VanDerWaalsContact O-N 3.12Å; E419-R422 IonicContact OE1-NH2 3.01Å; E419-A423 WeakPolarHBondContact O-CB 3.48Å; E419-A423 PolarHBondContact O-N 3.19Å
420	K	96.5	Very high	94.2	Very high	62 Å²	62	70.2 Å²	70.2	27%	0.27	34%	0.339	S	S	.	.	H	α-helix	trans	-55.1	-45.6	176.6	-178.9	175.5	177.9	171.9	0	110.8	R416 L417 A423 A424 D469 Y471	R416-K420 WeakPolarHBondContact O-CB 3.3Å; R416-K420 PolarHBondContact O-N 3.36Å; L417-K420 PolarHBondContact O-N 3.01Å; K420-A423 PolarHBondContact O-N 2.82Å; K420-A424 WeakPolarHBondContact O-CB 3.21Å; K420-A424 PolarHBondContact O-N 2.68Å; K420-D469 VanDerWaalsContact CE-O 3.27Å; K420-D469 WeakPolarHBondContact CE-O 3.46Å; K420-D469 IonicContact NZ-OD1 2.69Å; K420-D469 PolarHBondContact NZ-OD1 3.38Å; K420-D469 IonicContact NZ-OD2 3.85Å; K420-D469 PolarHBondContact NZ-OD2 3.48Å; K420-Y471 PolarHBondContact NZ-O 2.8Å
421	Q	94.8	Very high	94	Very high	32 Å²	32	76.1 Å²	76.1	15%	0.15	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-43.4	176.9	-179.7	176.1	-112.3	0	0	112.6	L149 H172 L417 E419 A424 R425	L149-Q421 VanDerWaalsContact CA-OE1 3.27Å; L149-Q421 HydrophobicContact CD2-CB 4.42Å; H172-Q421 PolarHBondContact CE1-NE2 3.23Å; H172-Q421 VanDerWaalsContact CE1-NE2 3.33Å; H172-Q421 PolarHBondContact NE2-NE2 3Å; L417-Q421 WeakPolarHBondContact O-CB 3.13Å; L417-Q421 PolarHBondContact O-N 2.77Å; E419-Q421 VanDerWaalsContact C-N 3.27Å; E419-Q421 PolarHBondContact O-N 2.65Å; Q421-A424 PolarHBondContact O-N 3.08Å; Q421-R425 PolarHBondContact O-N 2.94Å
422	R	92.1	Very high	93.8	Very high	104 Å²	104	82.4 Å²	82.4	39%	0.392	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-44.9	176.6	-79	-176.1	-69.8	154	-8.2	111.4	E418 E419 R425 K426	E418-R422 WeakPolarHBondContact O-CB 3.44Å; E418-R422 VanDerWaalsContact O-CG 3.27Å; E418-R422 WeakPolarHBondContact O-CG 3.29Å; E418-R422 PolarHBondContact O-N 3.43Å; E418-R422 PolarHBondContact O-NE 2.91Å; E419-R422 PolarHBondContact O-N 3.45Å; E419-R422 VanDerWaalsContact O-N 3.12Å; E419-R422 IonicContact OE1-NH2 3.01Å; R422-R425 PolarHBondContact O-N 3.49Å; R422-K426 WeakPolarHBondContact O-CG 3.37Å; R422-K426 PolarHBondContact O-N 2.96Å
423	A	94.8	Very high	93.4	Very high	53 Å²	53	80.8 Å²	80.8	44%	0.438	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-49.1	176.3	0	0	0	0	0	111.2	E419 K420 R425 K426 E427	E419-A423 WeakPolarHBondContact O-CB 3.48Å; E419-A423 PolarHBondContact O-N 3.19Å; K420-A423 PolarHBondContact O-N 2.82Å; A423-R425 VanDerWaalsContact C-N 3.28Å; A423-R425 PolarHBondContact O-N 3.07Å; A423-K426 WeakPolarHBondContact O-CB 3.23Å; A423-K426 PolarHBondContact O-N 2.8Å; A423-K426 VanDerWaalsContact O-N 3.07Å; A423-E427 PolarHBondContact O-N 3.32Å
424	A	94.1	Very high	92.9	Very high	40 Å²	40	87.8 Å²	87.8	33%	0.331	42%	0.42	S	S	.	.	H	α-helix	trans	-60.2	-36.1	178.3	0	0	0	0	0	112.9	K420 Q421 R428	K420-A424 WeakPolarHBondContact O-CB 3.21Å; K420-A424 PolarHBondContact O-N 2.68Å; Q421-A424 PolarHBondContact O-N 3.08Å; A424-R428 WeakPolarHBondContact O-CG 3.31Å; A424-R428 PolarHBondContact O-N 3.5Å; A424-R428 VanDerWaalsContact O-N 3.08Å; A424-R428 PolarHBondContact O-NH1 3.27Å
425	R	92.3	Very high	92.7	Very high	129 Å²	129	90.5 Å²	90.5	49%	0.487	43%	0.43	S	S	.	.	H	α-helix	trans	-66.2	-44	173.2	-178.7	-177.7	175.4	-155.5	-6	111.9	H173 Q421 R422 A423 E427 R428 A429	H173-R425 VanDerWaalsContact CD2-CZ 3.45Å; H173-R425 PolarHBondContact CD2-NH1 3.14Å; H173-R425 PolarHBondContact NE2-NH1 2.86Å; Q421-R425 PolarHBondContact O-N 2.94Å; R422-R425 PolarHBondContact O-N 3.49Å; A423-R425 VanDerWaalsContact C-N 3.28Å; A423-R425 PolarHBondContact O-N 3.07Å; R425-E427 VanDerWaalsContact C-N 3.33Å; R425-R428 PolarHBondContact O-N 3.27Å; R425-A429 WeakPolarHBondContact O-CB 3.48Å; R425-A429 PolarHBondContact O-N 3.39Å
426	K	92.8	Very high	92.6	Very high	124 Å²	124	89.7 Å²	89.7	54%	0.539	43%	0.433	S	S	.	.	H	α-helix	trans	-61.7	-41.9	177.4	-74.3	178.8	-180	-177.4	0	111.3	R422 A423 A429 K430	R422-K426 WeakPolarHBondContact O-CG 3.37Å; R422-K426 PolarHBondContact O-N 2.96Å; A423-K426 WeakPolarHBondContact O-CB 3.23Å; A423-K426 PolarHBondContact O-N 2.8Å; A423-K426 VanDerWaalsContact O-N 3.07Å; K426-A429 PolarHBondContact O-N 2.97Å; K426-K430 WeakPolarHBondContact O-CG 3.35Å; K426-K430 PolarHBondContact O-N 3.24Å; K426-K430 VanDerWaalsContact O-N 3.08Å
427	E	93.6	Very high	92.5	Very high	87 Å²	87	86.3 Å²	86.3	41%	0.407	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-46	176.3	-66	-48.9	119.9	0	0	112.1	A423 R425 A429 K430 H431	A423-E427 PolarHBondContact O-N 3.32Å; R425-E427 VanDerWaalsContact C-N 3.33Å; E427-A429 VanDerWaalsContact C-N 3.28Å; E427-A429 PolarHBondContact O-N 3.08Å; E427-K430 WeakPolarHBondContact O-CB 3.46Å; E427-K430 PolarHBondContact O-N 2.96Å; E427-K430 VanDerWaalsContact O-N 3.14Å; E427-K430 IonicContact OE1-NZ 3.97Å; E427-K430 PolarHBondContact OE1-NZ 3.41Å; E427-K430 IonicContact OE2-NZ 3.2Å; E427-H431 PolarHBondContact O-CD2 3.28Å; E427-H431 VanDerWaalsContact O-CD2 3.28Å; E427-H431 PolarHBondContact O-N 3.37Å
428	R	93.2	Very high	92.4	Very high	53 Å²	53	92 Å²	92	20%	0.2	44%	0.444	C	S	.	.	H	α-helix	trans	-57.3	-41.7	173.9	-75.5	-169.3	-61.1	-84.2	3.1	112.5	A424 R425 K430 H431 E432 D433	A424-R428 WeakPolarHBondContact O-CG 3.31Å; A424-R428 PolarHBondContact O-N 3.5Å; A424-R428 VanDerWaalsContact O-N 3.08Å; A424-R428 PolarHBondContact O-NH1 3.27Å; R425-R428 PolarHBondContact O-N 3.27Å; R428-K430 VanDerWaalsContact C-N 3.34Å; R428-K430 PolarHBondContact O-N 3.17Å; R428-H431 CarbonylContact O-C 3.55Å; R428-H431 PolarHBondContact O-N 2.82Å; R428-E432 PolarHBondContact O-N 3.07Å; R428-D433 HydrophobicContact CB-CB 4.25Å; R428-D433 HydrophobicContact CG-CB 4.26Å; R428-D433 PolarHBondContact O-N 2.87Å
429	A	91.3	Very high	92.6	Very high	76 Å²	76	91.3 Å²	91.3	63%	0.628	44%	0.44	S	S	*	.	H	α-helix	trans	-64.8	-34.7	178.2	0	0	0	0	0	113	R425 K426 E427 H431 E432	R425-A429 WeakPolarHBondContact O-CB 3.48Å; R425-A429 PolarHBondContact O-N 3.39Å; K426-A429 PolarHBondContact O-N 2.97Å; E427-A429 VanDerWaalsContact C-N 3.28Å; E427-A429 PolarHBondContact O-N 3.08Å; A429-H431 VanDerWaalsContact C-N 3.29Å; A429-H431 PolarHBondContact O-N 3.29Å; A429-E432 PolarHBondContact O-N 2.68Å
430	K	92.7	Very high	92.8	Very high	144 Å²	144	86.9 Å²	86.9	63%	0.626	42%	0.419	S	S	*	.	H	α-helix	trans	-66.7	-31.1	175.4	-72.2	171.9	-177.2	171.3	0	113	K426 E427 R428	K426-K430 WeakPolarHBondContact O-CG 3.35Å; K426-K430 PolarHBondContact O-N 3.24Å; K426-K430 VanDerWaalsContact O-N 3.08Å; E427-K430 WeakPolarHBondContact O-CB 3.46Å; E427-K430 PolarHBondContact O-N 2.96Å; E427-K430 VanDerWaalsContact O-N 3.14Å; E427-K430 IonicContact OE1-NZ 3.97Å; E427-K430 PolarHBondContact OE1-NZ 3.41Å; E427-K430 IonicContact OE2-NZ 3.2Å; R428-K430 VanDerWaalsContact C-N 3.34Å; R428-K430 PolarHBondContact O-N 3.17Å
431	H	91.4	Very high	92.9	Very high	124 Å²	124	89.4 Å²	89.4	57%	0.574	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	1.4	-178.7	-68.1	-61.6	0	0	0	113.6	E427 R428 A429 D433	E427-H431 PolarHBondContact O-CD2 3.28Å; E427-H431 VanDerWaalsContact O-CD2 3.28Å; E427-H431 PolarHBondContact O-N 3.37Å; R428-H431 CarbonylContact O-C 3.55Å; R428-H431 PolarHBondContact O-N 2.82Å; A429-H431 VanDerWaalsContact C-N 3.29Å; A429-H431 PolarHBondContact O-N 3.29Å; H431-D433 WeakPolarHBondContact CB-OD2 3.27Å; H431-D433 PolarHBondContact O-N 3.4Å
432	E	88.9	Confident	92.9	Very high	180 Å²	180	91.5 Å²	91.5	84%	0.841	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	26.7	-173.2	-57.6	-178.8	173.4	0	0	113	R428 A429	R428-E432 PolarHBondContact O-N 3.07Å; A429-E432 PolarHBondContact O-N 2.68Å
433	D	88.3	Confident	93	Very high	96 Å²	96	87.2 Å²	87.2	51%	0.513	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-79.1	125.1	179	-71.8	-33.6	0	0	0	110.7	R428 H431	R428-D433 HydrophobicContact CB-CB 4.25Å; R428-D433 HydrophobicContact CG-CB 4.26Å; R428-D433 PolarHBondContact O-N 2.87Å; H431-D433 WeakPolarHBondContact CB-OD2 3.27Å; H431-D433 PolarHBondContact O-N 3.4Å
434	E	85.9	Confident	93	Very high	178 Å²	178	88.4 Å²	88.4	83%	0.832	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-81.8	139.2	171.3	-68.5	-168.9	167	0	0	111.7	T436	E434-T436 PolarHBondContact O-N 3.2Å
435	W	91	Very high	92.7	Very high	72 Å²	72	86.7 Å²	86.7	27%	0.273	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68.8	125.1	171.7	175.4	-95.8	0	0	0	110.4	L150 G151 P468	L150-W435 HydrophobicContact CD1-CD2 4.44Å; L150-W435 HydrophobicContact CD1-CG 4.33Å; L150-W435 HydrophobicContact CD2-CB 4.17Å; L150-W435 HydrophobicContact CD2-CD2 3.58Å; L150-W435 HydrophobicContact CD2-CE3 3.92Å; L150-W435 HydrophobicContact CD2-CG 3.67Å; L150-W435 HydrophobicContact CG-CD2 3.81Å; L150-W435 HydrophobicContact CG-CE3 4.33Å; L150-W435 HydrophobicContact CG-CG 4.11Å; L150-W435 HydrophobicContact CG-CH2 4.45Å; L150-W435 HydrophobicContact CG-CZ2 4.01Å; G151-W435 VanDerWaalsContact CA-CZ2 3.5Å; W435-P468 HydrophobicContact CH2-CB 3.69Å; W435-P468 HydrophobicContact CH2-CG 3.78Å; W435-P468 HydrophobicContact CZ2-CG 4.41Å; W435-P468 HydrophobicContact CZ3-CB 4.27Å
436	T	90.8	Very high	92.5	Very high	100 Å²	100	85.8 Å²	85.8	61%	0.613	43%	0.429	S	S	*	.			trans	-105.9	119.6	172	-53.7	0	0	0	0	109.7	E434	E434-T436 PolarHBondContact O-N 3.2Å
437	T	94.4	Very high	92.4	Very high	22 Å²	22	84.5 Å²	84.5	14%	0.135	42%	0.422	C	S	.	.			trans	-64.7	150.2	172.4	47.2	0	0	0	0	111	V170 F440 W453	V170-T437 HydrophobicContact CB-CG2 3.72Å; V170-T437 HydrophobicContact CG1-CG2 3.91Å; V170-T437 WeakPolarHBondContact O-CG2 3.43Å; T437-F440 WeakPolarHBondContact CB-O 3.35Å; T437-F440 PolarHBondContact OG1-O 3.39Å; T437-W453 HydrophobicContact CG2-CE3 4.5Å; T437-W453 HydrophobicContact CG2-CH2 3.73Å; T437-W453 HydrophobicContact CG2-CZ3 3.66Å; T437-W453 WeakPolarHBondContact OG1-CZ3 3.33Å
438	R	94.8	Very high	92.4	Very high	119 Å²	119	83.2 Å²	83.2	45%	0.449	42%	0.42	S	S	.	.	S	Bend	trans	-92.6	-39.5	-172.8	-68.5	-59.7	-169.2	-166.2	0.4	113.2	E168 N466 L467	E168-R438 PolarHBondContact OE1-N 2.77Å; E168-R438 PolarHBondContact OE2-N 3.46Å; R438-N466 PolarHBondContact NH2-O 3.45Å; R438-L467 HydrophobicContact CB-CD2 4.44Å; R438-L467 HydrophobicContact CG-CD2 4.01Å
439	W	97.7	Very high	92.3	Very high	26 Å²	26	83.3 Å²	83.3	10%	0.098	44%	0.437	C	S	.	.	S	Bend	trans	-118	-13	-167.1	-49.2	114.2	0	0	0	113.2	E168 Y455 S456 Y459 Y464 L467	E168-W439 WeakPolarHBondContact OE2-CA 3.3Å; E168-W439 WeakPolarHBondContact OE2-CB 3.32Å; E168-W439 PolarHBondContact OE2-N 2.86Å; W439-Y455 HydrophobicContact CB-CE2 4.38Å; W439-Y455 VanDerWaalsContact O-CD2 3.22Å; W439-Y455 WeakPolarHBondContact O-CD2 3.06Å; W439-S456 WeakPolarHBondContact O-CB 3.2Å; W439-S456 PolarHBondContact O-N 3.21Å; W439-Y459 AromaticContact CD1-CD2 3.73Å; W439-Y459 AromaticContact CD2-CD2 3.6Å; W439-Y459 HydrophobicContact CD2-CD2 3.6Å; W439-Y459 HydrophobicContact CD2-CG 4.3Å; W439-Y459 AromaticContact CE2-CD2 3.44Å; W439-Y459 VanDerWaalsContact CE2-CD2 3.44Å; W439-Y459 HydrophobicContact CE3-CD2 4.23Å; W439-Y459 AromaticContact CG-CD2 3.75Å; W439-Y459 HydrophobicContact CG-CD2 3.75Å; W439-Y459 HydrophobicContact CH2-CD2 4.49Å; W439-Y459 AromaticContact CZ2-CD2 3.9Å; W439-Y459 HydrophobicContact CZ2-CD2 3.9Å; W439-Y459 HydrophobicContact CZ2-CE2 4.48Å; W439-Y459 AromaticContact NE1-CD2 3.53Å; W439-Y459 AromaticContact NE1-CE2 3.82Å; W439-Y464 AromaticContact CH2-CD1 3.95Å; W439-Y464 HydrophobicContact CH2-CD1 3.95Å; W439-Y464 HydrophobicContact CH2-CE1 4.06Å; W439-Y464 AromaticContact CZ2-CD1 3.84Å; W439-Y464 HydrophobicContact CZ2-CD1 3.84Å; W439-Y464 AromaticContact CZ2-CE1 3.94Å; W439-Y464 HydrophobicContact CZ2-CE1 3.94Å; W439-L467 HydrophobicContact CZ2-CD1 4.3Å; W439-L467 HydrophobicContact CZ2-CD2 3.74Å
440	F	98.1	Very high	92.3	Very high	3 Å²	3	81.4 Å²	81.4	1%	0.013	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149	178.6	-65.6	-98.7	0	0	0	110.5	V166 E168 V170 A178 H180 T437 W453 I454 Y455	V166-F440 HydrophobicContact CG1-CZ 4.37Å; E168-F440 HydrophobicContact CB-CD2 3.63Å; E168-F440 HydrophobicContact CB-CE2 3.75Å; E168-F440 WeakPolarHBondContact OE2-CD2 3.5Å; E168-F440 PolarHBondContact OE2-N 3.32Å; V170-F440 HydrophobicContact CG1-CB 3.79Å; V170-F440 HydrophobicContact CG1-CD2 4.27Å; V170-F440 HydrophobicContact CG1-CG 4.21Å; A178-F440 HydrophobicContact CB-CB 4.31Å; A178-F440 HydrophobicContact CB-CD1 3.54Å; A178-F440 HydrophobicContact CB-CD2 4.14Å; A178-F440 HydrophobicContact CB-CE1 3.79Å; A178-F440 HydrophobicContact CB-CE2 4.37Å; A178-F440 HydrophobicContact CB-CG 3.73Å; A178-F440 HydrophobicContact CB-CZ 4.21Å; H180-F440 HydrophobicContact CB-CE1 3.97Å; H180-F440 HydrophobicContact CB-CZ 4.07Å; T437-F440 WeakPolarHBondContact CB-O 3.35Å; T437-F440 PolarHBondContact OG1-O 3.39Å; F440-W453 HydrophobicContact CB-CB 4.29Å; F440-W453 HydrophobicContact CB-CE3 4.02Å; F440-W453 HydrophobicContact CD1-CB 4.49Å; F440-I454 CarbonylContact C-O 3.53Å; F440-I454 VanDerWaalsContact CA-O 3.26Å; F440-I454 WeakPolarHBondContact CA-O 3.26Å; F440-Y455 HydrophobicContact CE1-CD2 4.46Å; F440-Y455 HydrophobicContact CE2-CD2 4.49Å; F440-Y455 HydrophobicContact CZ-CD2 4.28Å
441	Q	97	Very high	92.3	Very high	116 Å²	116	82.4 Å²	82.4	54%	0.542	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.5	175.3	65.2	-179.2	2	0	0	110.3	G443 I454 S456	Q441-G443 PolarHBondContact O-N 3.06Å; Q441-I454 PolarHBondContact N-O 2.9Å; Q441-I454 PolarHBondContact O-N 3.36Å; Q441-S456 WeakPolarHBondContact CG-OG 3.34Å; Q441-S456 PolarHBondContact N-OG 3.33Å
442	M	95.9	Very high	92.4	Very high	76 Å²	76	76.9 Å²	76.9	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.7	176.9	-168.7	69.3	69.9	0	0	110.1	R451 W453	M442-R451 VanDerWaalsContact CG-CZ 3.4Å; M442-R451 HydrophobicContact SD-CB 4.1Å; M442-W453 HydrophobicContact CE-CD2 4.01Å; M442-W453 HydrophobicContact CE-CG 4.45Å; M442-W453 HydrophobicContact CE-CH2 4.27Å; M442-W453 HydrophobicContact CE-CZ2 3.53Å
443	G	94.3	Very high	92.8	Very high	14 Å²	14	70.2 Å²	70.2	14%	0.144	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-172.7	176	0	0	0	0	0	112.1	Q441 R451 E452	Q441-G443 PolarHBondContact O-N 3.06Å; G443-R451 WeakPolarHBondContact O-CA 3.32Å; G443-E452 PolarHBondContact N-O 3.11Å; G443-E452 PolarHBondContact O-N 2.9Å
444	T	93.6	Very high	93.2	Very high	78 Å²	78	68.6 Å²	68.6	48%	0.479	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.1	174.5	-60.5	0	0	0	0	108.4	S450	T444-S450 WeakPolarHBondContact CA-O 3.49Å
445	N	88.6	Confident	93.8	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	32%	0.319	C	S	.	.			trans	-66.2	121.6	173.6	-176.9	-48.9	0	0	0	109	T214 Y447 T448 G449 S450 E452	T214-N445 PolarHBondContact OG1-ND2 2.93Å; N445-Y447 PolarHBondContact O-N 3.08Å; N445-Y447 WeakPolarHBondContact OD1-CB 3.39Å; N445-Y447 WeakPolarHBondContact OD1-CD2 3.34Å; N445-Y447 PolarHBondContact OD1-N 3.45Å; N445-T448 VanDerWaalsContact CB-OG1 3.26Å; N445-T448 WeakPolarHBondContact CB-OG1 3.46Å; N445-T448 PolarHBondContact OD1-N 2.96Å; N445-T448 PolarHBondContact OD1-OG1 2.81Å; N445-G449 VanDerWaalsContact O-CA 3.25Å; N445-G449 WeakPolarHBondContact O-CA 3.39Å; N445-G449 PolarHBondContact O-N 3.3Å; N445-S450 PolarHBondContact N-O 3.22Å; N445-E452 VanDerWaalsContact CB-CD 3.48Å; N445-E452 HydrophobicContact CB-CG 4.38Å; N445-E452 WeakPolarHBondContact CB-OE1 3.31Å; N445-E452 WeakPolarHBondContact CB-OE2 3.49Å; N445-E452 PolarHBondContact ND2-OE1 3.31Å; N445-E452 PolarHBondContact ND2-OE2 3.44Å
446	P	89.3	Confident	94.1	Very high	109 Å²	109	61.2 Å²	61.2	71%	0.708	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17	-173.5	28.4	-34.2	0	0	0	113.4
447	Y	90.8	Very high	94.4	Very high	97 Å²	97	57.9 Å²	57.9	38%	0.38	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-35.5	-176.4	-54.1	-74.9	0	0	0	112.7	V223 H254 N445	V223-Y447 HydrophobicContact CB-CD1 4.33Å; V223-Y447 HydrophobicContact CB-CD2 4.27Å; V223-Y447 HydrophobicContact CB-CE1 4.01Å; V223-Y447 HydrophobicContact CB-CE2 3.96Å; V223-Y447 HydrophobicContact CB-CG 4.46Å; V223-Y447 HydrophobicContact CG1-CD1 4.48Å; V223-Y447 HydrophobicContact CG1-CD2 3.66Å; V223-Y447 HydrophobicContact CG1-CE1 4.44Å; V223-Y447 HydrophobicContact CG1-CE2 3.62Å; V223-Y447 HydrophobicContact CG1-CG 4.12Å; V223-Y447 HydrophobicContact CG2-CE1 3.91Å; V223-Y447 HydrophobicContact CG2-CE2 3.74Å; V223-Y447 VanDerWaalsContact CG2-OH 3.31Å; V223-Y447 WeakPolarHBondContact CG2-OH 3.27Å; H254-Y447 HydrophobicContact CB-CD1 3.82Å; H254-Y447 HydrophobicContact CB-CG 4.44Å; N445-Y447 PolarHBondContact O-N 3.08Å; N445-Y447 WeakPolarHBondContact OD1-CB 3.39Å; N445-Y447 WeakPolarHBondContact OD1-CD2 3.34Å; N445-Y447 PolarHBondContact OD1-N 3.45Å
448	T	92	Very high	94.5	Very high	60 Å²	60	58.3 Å²	58.3	37%	0.368	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-18.2	-177.1	56.3	0	0	0	0	113.3	T212 T225 N445 S450	T212-T448 HydrophobicContact CG2-CG2 4.22Å; T225-T448 HydrophobicContact CG2-CG2 4.03Å; N445-T448 VanDerWaalsContact CB-OG1 3.26Å; N445-T448 WeakPolarHBondContact CB-OG1 3.46Å; N445-T448 PolarHBondContact OD1-N 2.96Å; N445-T448 PolarHBondContact OD1-OG1 2.81Å; T448-S450 PolarHBondContact O-N 3.22Å; T448-S450 PolarHBondContact OG1-N 3.19Å; T448-S450 PolarHBondContact OG1-OG 2.93Å
449	G	91.8	Very high	94.6	Very high	55 Å²	55	52.6 Å²	52.6	57%	0.567	30%	0.298	S	S	*	.			trans	73.1	2.2	-173.7	0	0	0	0	0	114.5	N445	N445-G449 VanDerWaalsContact O-CA 3.25Å; N445-G449 WeakPolarHBondContact O-CA 3.39Å; N445-G449 PolarHBondContact O-N 3.3Å
450	S	90.7	Very high	94.6	Very high	37 Å²	37	52.5 Å²	52.5	26%	0.259	30%	0.298	S	S	.	.			trans	-72.9	150.2	178.2	37	0	0	0	0	112.4	T212 T444 N445 T448 E452	T212-S450 PolarHBondContact OG1-OG 2.85Å; T444-S450 WeakPolarHBondContact CA-O 3.49Å; N445-S450 PolarHBondContact N-O 3.22Å; T448-S450 PolarHBondContact O-N 3.22Å; T448-S450 PolarHBondContact OG1-N 3.19Å; T448-S450 PolarHBondContact OG1-OG 2.93Å; S450-E452 PolarHBondContact OG-OE1 3.04Å
451	R	93.1	Very high	94.5	Very high	165 Å²	165	58.5 Å²	58.5	62%	0.623	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.9	169.3	-69.4	-74	-73.9	-176.7	-5.3	109.2	M442 G443	M442-R451 VanDerWaalsContact CG-CZ 3.4Å; M442-R451 HydrophobicContact SD-CB 4.1Å; G443-R451 WeakPolarHBondContact O-CA 3.32Å
452	E	94.2	Very high	94.4	Very high	7 Å²	7	56.4 Å²	56.4	3%	0.033	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157	-173.4	-76.4	172.1	-153.1	0	0	111.4	T212 G443 N445 S450	T212-E452 WeakPolarHBondContact CB-OE1 3.36Å; T212-E452 PolarHBondContact OG1-OE1 3.06Å; G443-E452 PolarHBondContact N-O 3.11Å; G443-E452 PolarHBondContact O-N 2.9Å; N445-E452 VanDerWaalsContact CB-CD 3.48Å; N445-E452 HydrophobicContact CB-CG 4.38Å; N445-E452 WeakPolarHBondContact CB-OE1 3.31Å; N445-E452 WeakPolarHBondContact CB-OE2 3.49Å; N445-E452 PolarHBondContact ND2-OE1 3.31Å; N445-E452 PolarHBondContact ND2-OE2 3.44Å; S450-E452 PolarHBondContact OG-OE1 3.04Å
453	W	96.9	Very high	94.3	Very high	40 Å²	40	57.8 Å²	57.8	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113	173.8	-71.5	97.2	0	0	0	110.1	V170 A178 T437 F440 M442	V170-W453 HydrophobicContact CB-CD2 3.76Å; V170-W453 HydrophobicContact CB-CE3 3.98Å; V170-W453 HydrophobicContact CB-CG 4.29Å; V170-W453 HydrophobicContact CB-CH2 4.13Å; V170-W453 HydrophobicContact CB-CZ2 3.91Å; V170-W453 HydrophobicContact CB-CZ3 4.17Å; V170-W453 HydrophobicContact CG1-CD2 4.07Å; V170-W453 HydrophobicContact CG1-CE3 4.02Å; V170-W453 HydrophobicContact CG1-CG 4.44Å; V170-W453 HydrophobicContact CG1-CZ3 4.45Å; V170-W453 HydrophobicContact CG2-CD2 3.63Å; V170-W453 VanDerWaalsContact CG2-CE2 3.45Å; V170-W453 HydrophobicContact CG2-CE3 4.36Å; V170-W453 HydrophobicContact CG2-CG 3.71Å; V170-W453 HydrophobicContact CG2-CZ2 4.03Å; A178-W453 HydrophobicContact CB-CB 3.63Å; A178-W453 HydrophobicContact CB-CG 4.28Å; T437-W453 HydrophobicContact CG2-CE3 4.5Å; T437-W453 HydrophobicContact CG2-CH2 3.73Å; T437-W453 HydrophobicContact CG2-CZ3 3.66Å; T437-W453 WeakPolarHBondContact OG1-CZ3 3.33Å; F440-W453 HydrophobicContact CB-CB 4.29Å; F440-W453 HydrophobicContact CB-CE3 4.02Å; F440-W453 HydrophobicContact CD1-CB 4.49Å; M442-W453 HydrophobicContact CE-CD2 4.01Å; M442-W453 HydrophobicContact CE-CG 4.45Å; M442-W453 HydrophobicContact CE-CH2 4.27Å; M442-W453 HydrophobicContact CE-CZ2 3.53Å
454	I	96.8	Very high	94.3	Very high	62 Å²	62	59.3 Å²	59.3	32%	0.318	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.6	-176.5	-54.3	-178.9	0	0	0	109	F440 Q441 S456	F440-I454 CarbonylContact C-O 3.53Å; F440-I454 VanDerWaalsContact CA-O 3.26Å; F440-I454 WeakPolarHBondContact CA-O 3.26Å; Q441-I454 PolarHBondContact N-O 2.9Å; Q441-I454 PolarHBondContact O-N 3.36Å; I454-S456 PolarHBondContact O-N 3.37Å
455	Y	98.1	Very high	94.1	Very high	37 Å²	37	61.8 Å²	61.8	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.7	175	177.7	-127	0	0	0	110.9	V166 H180 W439 F440 Y459	V166-Y455 HydrophobicContact CG1-CD2 4.06Å; V166-Y455 HydrophobicContact CG1-CE2 3.79Å; H180-Y455 HydrophobicContact CB-CD1 4.32Å; H180-Y455 HydrophobicContact CB-CG 3.96Å; H180-Y455 AromaticContact CD2-CD1 3.44Å; H180-Y455 VanDerWaalsContact CD2-CD1 3.44Å; H180-Y455 WeakPolarHBondContact CD2-CD1 3.44Å; H180-Y455 AromaticContact CD2-CE1 3.94Å; H180-Y455 AromaticContact CD2-CG 3.99Å; H180-Y455 AromaticContact CE1-CD1 3.86Å; H180-Y455 AromaticContact CG-CD1 3.66Å; H180-Y455 AromaticContact CG-CG 3.77Å; H180-Y455 AromaticContact ND1-CD1 3.93Å; H180-Y455 AromaticContact NE2-CD1 3.57Å; W439-Y455 HydrophobicContact CB-CE2 4.38Å; W439-Y455 VanDerWaalsContact O-CD2 3.22Å; W439-Y455 WeakPolarHBondContact O-CD2 3.06Å; F440-Y455 HydrophobicContact CE1-CD2 4.46Å; F440-Y455 HydrophobicContact CE2-CD2 4.49Å; F440-Y455 HydrophobicContact CZ-CD2 4.28Å; Y455-Y459 WeakPolarHBondContact OH-CB 3.47Å; Y455-Y459 PolarHBondContact OH-N 3Å
456	S	97.2	Very high	94.1	Very high	59 Å²	59	68.2 Å²	68.2	41%	0.413	37%	0.368	S	S	.	.			trans	-90	-3.3	-175.4	-56.9	0	0	0	0	113.1	W439 Q441 I454	W439-S456 WeakPolarHBondContact O-CB 3.2Å; W439-S456 PolarHBondContact O-N 3.21Å; Q441-S456 WeakPolarHBondContact CG-OG 3.34Å; Q441-S456 PolarHBondContact N-OG 3.33Å; I454-S456 PolarHBondContact O-N 3.37Å
457	G	96.8	Very high	94.3	Very high	29 Å²	29	64.4 Å²	64.4	30%	0.299	34%	0.342	S	S	.	.	S	Bend	trans	81.2	-179.9	-173.3	0	0	0	0	0	113.2	Y459	G457-Y459 VanDerWaalsContact C-N 3.32Å; G457-Y459 PolarHBondContact O-N 3.46Å
458	G	96.3	Very high	94.3	Very high	31 Å²	31	61 Å²	61	32%	0.32	33%	0.332	S	S	.	.			trans	84.6	-20.4	168.9	0	0	0	0	0	116.9	F460 N461	G458-F460 PolarHBondContact O-N 3.3Å; G458-N461 VanDerWaalsContact O-CB 3.3Å; G458-N461 WeakPolarHBondContact O-CB 3.43Å; G458-N461 PolarHBondContact O-N 2.7Å; G458-N461 VanDerWaalsContact O-N 3.08Å
459	Y	97.8	Very high	94.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-55.8	-51.4	-179	-178.3	-90.2	0	0	0	111.9	T153 E155 V166 A389 W439 Y455 G457 N461 R462 Y464	T153-Y459 HydrophobicContact CG2-CE2 4.36Å; E155-Y459 HydrophobicContact CB-CE1 3.68Å; E155-Y459 HydrophobicContact CG-CE1 4.21Å; E155-Y459 WeakPolarHBondContact OE2-CE1 3.03Å; V166-Y459 HydrophobicContact CB-CD1 3.92Å; V166-Y459 HydrophobicContact CB-CE1 4.2Å; V166-Y459 HydrophobicContact CB-CG 4.19Å; V166-Y459 HydrophobicContact CG2-CD1 3.6Å; V166-Y459 HydrophobicContact CG2-CD2 3.56Å; V166-Y459 HydrophobicContact CG2-CE1 3.75Å; V166-Y459 HydrophobicContact CG2-CE2 3.72Å; V166-Y459 HydrophobicContact CG2-CG 3.53Å; A389-Y459 HydrophobicContact CB-CE2 4.31Å; W439-Y459 AromaticContact CD1-CD2 3.73Å; W439-Y459 AromaticContact CD2-CD2 3.6Å; W439-Y459 HydrophobicContact CD2-CD2 3.6Å; W439-Y459 HydrophobicContact CD2-CG 4.3Å; W439-Y459 AromaticContact CE2-CD2 3.44Å; W439-Y459 VanDerWaalsContact CE2-CD2 3.44Å; W439-Y459 HydrophobicContact CE3-CD2 4.23Å; W439-Y459 AromaticContact CG-CD2 3.75Å; W439-Y459 HydrophobicContact CG-CD2 3.75Å; W439-Y459 HydrophobicContact CH2-CD2 4.49Å; W439-Y459 AromaticContact CZ2-CD2 3.9Å; W439-Y459 HydrophobicContact CZ2-CD2 3.9Å; W439-Y459 HydrophobicContact CZ2-CE2 4.48Å; W439-Y459 AromaticContact NE1-CD2 3.53Å; W439-Y459 AromaticContact NE1-CE2 3.82Å; Y455-Y459 WeakPolarHBondContact OH-CB 3.47Å; Y455-Y459 PolarHBondContact OH-N 3Å; G457-Y459 VanDerWaalsContact C-N 3.32Å; G457-Y459 PolarHBondContact O-N 3.46Å; Y459-N461 PolarHBondContact O-N 3.24Å; Y459-N461 VanDerWaalsContact O-N 3.07Å; Y459-R462 PolarHBondContact O-N 3.01Å; Y459-Y464 HydrophobicContact CD2-CE1 4.42Å; Y459-Y464 HydrophobicContact CE2-CE1 4.43Å; Y459-Y464 WeakPolarHBondContact O-CE1 3.28Å; Y459-Y464 PolarHBondContact O-OH 3.12Å
460	F	96.9	Very high	94.6	Very high	24 Å²	24	62.5 Å²	62.5	11%	0.105	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-70.6	-3.8	-178.4	-61.8	-64.8	0	0	0	114.7	R164 V166 G458 R462	R164-F460 HydrophobicContact CB-CE1 4.24Å; R164-F460 HydrophobicContact CB-CZ 4.01Å; R164-F460 HydrophobicContact CG-CD2 4.48Å; R164-F460 HydrophobicContact CG-CE1 4.3Å; R164-F460 HydrophobicContact CG-CE2 3.9Å; R164-F460 HydrophobicContact CG-CZ 3.8Å; V166-F460 HydrophobicContact CB-CE2 4.37Å; V166-F460 HydrophobicContact CB-CZ 3.96Å; V166-F460 HydrophobicContact CG1-CE2 4.15Å; V166-F460 HydrophobicContact CG1-CZ 4.22Å; G458-F460 PolarHBondContact O-N 3.3Å; F460-R462 PolarHBondContact O-N 3.27Å
461	N	96.4	Very high	94.8	Very high	129 Å²	129	62.5 Å²	62.5	69%	0.69	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-77.1	-7.4	173.6	-61.8	-11.3	0	0	0	112.6	G458 Y459 N463	G458-N461 VanDerWaalsContact O-CB 3.3Å; G458-N461 WeakPolarHBondContact O-CB 3.43Å; G458-N461 PolarHBondContact O-N 2.7Å; G458-N461 VanDerWaalsContact O-N 3.08Å; Y459-N461 PolarHBondContact O-N 3.24Å; Y459-N461 VanDerWaalsContact O-N 3.07Å; N461-N463 PolarHBondContact O-N 3.49Å; N461-N463 VanDerWaalsContact O-N 3.08Å
462	R	96	Very high	94.9	Very high	72 Å²	72	57.4 Å²	57.4	27%	0.272	30%	0.304	S	S	.	.			trans	61.1	14.8	175.4	-47.2	-55.7	179.3	176.1	-2.9	115.6	E155 Y459 F460 Y464	E155-R462 IonicContact OE1-CZ 2.8Å; E155-R462 IonicContact OE1-NH1 3.66Å; E155-R462 PolarHBondContact OE1-NH1 2.86Å; E155-R462 IonicContact OE1-NH2 3.43Å; E155-R462 PolarHBondContact OE1-NH2 2.9Å; E155-R462 VanDerWaalsContact OE1-NH2 3.17Å; E155-R462 IonicContact OE2-CZ 3.27Å; E155-R462 IonicContact OE2-NH1 3Å; E155-R462 PolarHBondContact OE2-NH1 3.4Å; E155-R462 IonicContact OE2-NH2 3.02Å; E155-R462 PolarHBondContact OE2-NH2 3.47Å; Y459-R462 PolarHBondContact O-N 3.01Å; F460-R462 PolarHBondContact O-N 3.27Å; R462-Y464 VanDerWaalsContact C-N 3.31Å; R462-Y464 HydrophobicContact CB-CE2 4.43Å; R462-Y464 VanDerWaalsContact CD-OH 3.29Å; R462-Y464 WeakPolarHBondContact CD-OH 3.27Å; R462-Y464 PolarHBondContact NH1-OH 2.83Å; R462-Y464 PolarHBondContact O-N 3.32Å; R462-Y464 VanDerWaalsContact O-N 3.08Å
463	N	93.4	Very high	95	Very high	104 Å²	104	60 Å²	60	56%	0.556	32%	0.318	S	S	*	.			trans	-86	73.3	175.9	-170.5	16.8	0	0	0	110.7	N461 Q465	N461-N463 PolarHBondContact O-N 3.49Å; N461-N463 VanDerWaalsContact O-N 3.08Å; N463-Q465 PolarHBondContact O-N 3.25Å; N463-Q465 VanDerWaalsContact O-N 3.17Å; N463-Q465 WeakPolarHBondContact OD1-CG 3.19Å; N463-Q465 PolarHBondContact OD1-NE2 3.49Å; N463-Q465 VanDerWaalsContact OD1-NE2 3.08Å
464	Y	94.3	Very high	94.9	Very high	47 Å²	47	61.1 Å²	61.1	18%	0.184	33%	0.327	C	S	.	.			trans	-86.5	82	-176.8	-56.9	-40.5	0	0	0	111.5	I387 A389 W439 Y459 R462 L467	I387-Y464 VanDerWaalsContact O-CE2 3.3Å; I387-Y464 WeakPolarHBondContact O-CE2 3.01Å; A389-Y464 HydrophobicContact CB-CD1 4.23Å; A389-Y464 HydrophobicContact CB-CD2 4.11Å; A389-Y464 HydrophobicContact CB-CE1 4.07Å; A389-Y464 HydrophobicContact CB-CE2 3.93Å; A389-Y464 HydrophobicContact CB-CG 4.25Å; W439-Y464 AromaticContact CH2-CD1 3.95Å; W439-Y464 HydrophobicContact CH2-CD1 3.95Å; W439-Y464 HydrophobicContact CH2-CE1 4.06Å; W439-Y464 AromaticContact CZ2-CD1 3.84Å; W439-Y464 HydrophobicContact CZ2-CD1 3.84Å; W439-Y464 AromaticContact CZ2-CE1 3.94Å; W439-Y464 HydrophobicContact CZ2-CE1 3.94Å; Y459-Y464 HydrophobicContact CD2-CE1 4.42Å; Y459-Y464 HydrophobicContact CE2-CE1 4.43Å; Y459-Y464 WeakPolarHBondContact O-CE1 3.28Å; Y459-Y464 PolarHBondContact O-OH 3.12Å; R462-Y464 VanDerWaalsContact C-N 3.31Å; R462-Y464 HydrophobicContact CB-CE2 4.43Å; R462-Y464 VanDerWaalsContact CD-OH 3.29Å; R462-Y464 WeakPolarHBondContact CD-OH 3.27Å; R462-Y464 PolarHBondContact NH1-OH 2.83Å; R462-Y464 PolarHBondContact O-N 3.32Å; R462-Y464 VanDerWaalsContact O-N 3.08Å; Y464-L467 HydrophobicContact CD1-CD1 3.86Å; Y464-L467 HydrophobicContact CG-CD1 3.9Å
465	Q	89.1	Confident	94.7	Very high	130 Å²	130	61.1 Å²	61.1	61%	0.607	33%	0.328	S	S	*	.			trans	-107.5	140.8	173.3	-63.2	-178.6	10.2	0	0	110.1	N463 L467	N463-Q465 PolarHBondContact O-N 3.25Å; N463-Q465 VanDerWaalsContact O-N 3.17Å; N463-Q465 WeakPolarHBondContact OD1-CG 3.19Å; N463-Q465 PolarHBondContact OD1-NE2 3.49Å; N463-Q465 VanDerWaalsContact OD1-NE2 3.08Å; Q465-L467 PolarHBondContact O-N 2.8Å
466	N	88.4	Confident	94.5	Very high	138 Å²	138	62.6 Å²	62.6	74%	0.738	34%	0.339	S	S	*	.	S	Bend	trans	55.8	32.8	173.9	-52.2	-42.2	0	0	0	114.4	R438	R438-N466 PolarHBondContact NH2-O 3.45Å
467	L	92.9	Very high	94.4	Very high	30 Å²	30	62.8 Å²	62.8	16%	0.157	33%	0.334	C	S	.	.			trans	-70.9	151.8	172.5	-66.7	-171.8	0	0	0	111	A389 P390 T391 R438 W439 Y464 Q465	A389-L467 HydrophobicContact CB-CD1 3.96Å; P390-L467 HydrophobicContact CG-CB 4.25Å; P390-L467 HydrophobicContact CG-CD1 4.08Å; T391-L467 HydrophobicContact CG2-CB 4.46Å; R438-L467 HydrophobicContact CB-CD2 4.44Å; R438-L467 HydrophobicContact CG-CD2 4.01Å; W439-L467 HydrophobicContact CZ2-CD1 4.3Å; W439-L467 HydrophobicContact CZ2-CD2 3.74Å; Y464-L467 HydrophobicContact CD1-CD1 3.86Å; Y464-L467 HydrophobicContact CG-CD1 3.9Å; Q465-L467 PolarHBondContact O-N 2.8Å
468	P	90.3	Very high	94.2	Very high	26 Å²	26	65.2 Å²	65.2	17%	0.169	34%	0.337	C	S	.	.			trans	-65.6	138.7	-179.8	29.6	-36.2	0	0	0	110.9	T391 W435 I470	T391-P468 HydrophobicContact CG2-CG 3.86Å; T391-P468 WeakPolarHBondContact CG2-O 3.42Å; W435-P468 HydrophobicContact CH2-CB 3.69Å; W435-P468 HydrophobicContact CH2-CG 3.78Å; W435-P468 HydrophobicContact CZ2-CG 4.41Å; W435-P468 HydrophobicContact CZ3-CB 4.27Å; P468-I470 HydrophobicContact CB-CG2 3.92Å; P468-I470 HydrophobicContact CG-CG2 4.22Å; P468-I470 PolarHBondContact O-N 3.44Å
469	D	94.7	Very high	94	Very high	125 Å²	125	67.8 Å²	67.8	67%	0.668	34%	0.338	S	S	*	.			trans	-88.2	102.9	170.5	174.1	26.3	0	0	0	109.7	K420	K420-D469 VanDerWaalsContact CE-O 3.27Å; K420-D469 WeakPolarHBondContact CE-O 3.46Å; K420-D469 IonicContact NZ-OD1 2.69Å; K420-D469 PolarHBondContact NZ-OD1 3.38Å; K420-D469 IonicContact NZ-OD2 3.85Å; K420-D469 PolarHBondContact NZ-OD2 3.48Å
470	I	96.1	Very high	93.7	Very high	21 Å²	21	73.5 Å²	73.5	11%	0.108	37%	0.366	C	S	.	.			trans	-113.3	-11.5	-170.9	61.1	173.5	0	0	0	114	L149 E152 T391 P468	L149-I470 HydrophobicContact CB-CD1 4.49Å; L149-I470 HydrophobicContact CD1-CB 4.33Å; L149-I470 WeakPolarHBondContact CD1-O 3.4Å; E152-I470 VanDerWaalsContact CA-CD1 3.44Å; E152-I470 HydrophobicContact CB-CD1 3.9Å; E152-I470 HydrophobicContact CG-CD1 4.47Å; T391-I470 HydrophobicContact CG2-CD1 3.98Å; T391-I470 HydrophobicContact CG2-CG1 4.24Å; P468-I470 HydrophobicContact CB-CG2 3.92Å; P468-I470 HydrophobicContact CG-CG2 4.22Å; P468-I470 PolarHBondContact O-N 3.44Å
471	Y	95.9	Very high	93.4	Very high	36 Å²	36	78 Å²	78	14%	0.141	39%	0.39	C	S	.	.			trans	-101.6	0	-178.7	-59.2	-36	0	0	0	114	L149 E152 P390 T391 D392 C393 F395 R396 R416 L417 K420	L149-Y471 HydrophobicContact CD1-CD1 3.98Å; L149-Y471 HydrophobicContact CD1-CE1 3.98Å; E152-Y471 WeakPolarHBondContact CG-OH 3.4Å; P390-Y471 WeakPolarHBondContact O-CD2 3.08Å; P390-Y471 VanDerWaalsContact O-CE2 3.31Å; P390-Y471 WeakPolarHBondContact O-CE2 3.25Å; T391-Y471 PolarHBondContact O-OH 3.47Å; T391-Y471 VanDerWaalsContact O-OH 3.07Å; D392-Y471 WeakPolarHBondContact O-CE2 3.48Å; D392-Y471 PolarHBondContact O-OH 3.09Å; C393-Y471 VanDerWaalsContact CA-OH 3.27Å; C393-Y471 WeakPolarHBondContact CA-OH 3.47Å; C393-Y471 PolarHBondContact N-OH 2.95Å; F395-Y471 HydrophobicContact CB-CD2 3.98Å; F395-Y471 HydrophobicContact CB-CE2 3.85Å; R396-Y471 HydrophobicContact CB-CD1 4.2Å; R396-Y471 HydrophobicContact CB-CE1 3.65Å; R396-Y471 HydrophobicContact CB-CE2 4.37Å; R396-Y471 HydrophobicContact CG-CD1 3.81Å; R396-Y471 HydrophobicContact CG-CE1 3.43Å; R396-Y471 VanDerWaalsContact CG-CE1 3.43Å; R416-Y471 PolarHBondContact NH1-OXT 2.96Å; R416-Y471 PolarHBondContact NH2-OXT 3.09Å; L417-Y471 VanDerWaalsContact CD2-CA 3.49Å; L417-Y471 HydrophobicContact CD2-CD1 4.12Å; L417-Y471 WeakPolarHBondContact CD2-OXT 3.28Å; K420-Y471 PolarHBondContact NZ-O 2.8Å

Retrieved 471 of 471 residues in 520.9 ms (Link to these results)

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