A0A087Y7W6_POEFO Loading...

Tyrosine 3-monooxygenase

Plays an important role in the physiology of adrenergic neurons.

AlphaFold DB , UniProt , Accession A0A087Y7W6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 489 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	26.5	Very low	30.6	Very low	238 Å²	238	128.2 Å²	128.2	100%	1.172	80%	0.802	S	S	*	*				0	123.4	0	-83.7	-93.5	-173.8	0	0	108
2	P	38.4	Very low	30.6	Very low	119 Å²	119	132.7 Å²	132.7	77%	0.773	80%	0.801	S	S	*	*			cis	-111.5	155.4	-34.2	27.7	-8.8	0	0	0	110.4
3	L	28.1	Very low	30.8	Very low	170 Å²	170	129.8 Å²	129.8	89%	0.89	79%	0.791	S	S	*	*				77.2	136.3	53.4	-81.1	173.9	0	0	0	117.2
4	S	28.7	Very low	31.1	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	78%	0.781	S	S	*	*			trans	93.6	138	163.1	83	0	0	0	0	116.9
5	S	27.5	Very low	31.1	Very low	114 Å²	114	135.1 Å²	135.1	80%	0.797	78%	0.782	S	S	*	*			cis	-168.3	141.6	3.5	45	0	0	0	0	111.4
6	S	31.7	Very low	31	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	78%	0.775	S	S	*	*			trans	-87.7	147.1	159	54.5	0	0	0	0	111.7
7	S	28.6	Very low	31	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	76%	0.762	S	S	*	*			trans	-159.6	121.8	150.8	68.6	0	0	0	0	108.8
8	T	30.7	Very low	30.9	Very low	121 Å²	121	129.9 Å²	129.9	74%	0.742	75%	0.75	S	S	*	*				51.7	90.5	67.8	64.3	0	0	0	0	114.4
9	S	31	Very low	30.9	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	74%	0.739	S	S	*	*			trans	-131.7	10.6	174.8	-171.8	0	0	0	0	115.6
10	S	34.7	Very low	30.8	Very low	98 Å²	98	127.9 Å²	127.9	69%	0.685	74%	0.735	S	S	*	*	S	Bend	trans	-98.7	-24.4	178.8	169.8	0	0	0	0	114
11	T	31.3	Very low	31	Very low	104 Å²	104	129.1 Å²	129.1	64%	0.638	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-6.3	-173.1	15.4	0	0	0	0	115.7
12	K	30.5	Very low	31.1	Very low	182 Å²	182	126 Å²	126	79%	0.791	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-19.1	-179.1	-84.7	-176.2	176.5	177.9	0	114.5
13	S	32.2	Very low	30.6	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-30.3	179.9	-160.9	0	0	0	0	112.8
14	I	35.4	Very low	30.6	Very low	128 Å²	128	128.7 Å²	128.7	66%	0.656	72%	0.721	S	S	*	*	H	α-helix	trans	-76.7	-34	-177.9	-60.8	172.9	0	0	0	111.5	R16	I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.28Å
15	R	30.8	Very low	30.6	Very low	210 Å²	210	131.2 Å²	131.2	79%	0.792	73%	0.725	S	S	*	*	H	α-helix	trans	-72.8	-18.2	175.4	-82.3	-174.2	175.2	-179.8	-0.9	114.5	S19	R15-S19 WeakPolarHBondContact O-CB 3.44Å; R15-S19 PolarHBondContact O-N 3.25Å
16	R	29.2	Very low	30.7	Very low	179 Å²	179	131.1 Å²	131.1	68%	0.675	73%	0.725	S	S	*	*	H	α-helix	trans	-81.7	-33.6	-179.3	-151.2	176.3	-178.4	176	1	112.1	I14 S19 E20	I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.28Å; R16-S19 PolarHBondContact O-N 3.05Å; R16-E20 PolarHBondContact O-N 3.35Å
17	A	31.6	Very low	30.4	Very low	67 Å²	67	133.8 Å²	133.8	55%	0.554	73%	0.728	S	S	*	*	H	α-helix	trans	-69	-36.2	173	0	0	0	0	0	112.6
18	A	29.8	Very low	30.3	Very low	66 Å²	66	135.2 Å²	135.2	55%	0.545	73%	0.733	S	S	.	*	H	α-helix	trans	-73.8	-26.9	176.3	0	0	0	0	0	113.6
19	S	30.4	Very low	30.7	Very low	76 Å²	76	134.2 Å²	134.2	53%	0.531	73%	0.731	S	S	.	*	H	α-helix	trans	-85.4	-16.2	-177.6	172.1	0	0	0	0	114.3	R15 R16	R15-S19 WeakPolarHBondContact O-CB 3.44Å; R15-S19 PolarHBondContact O-N 3.25Å; R16-S19 PolarHBondContact O-N 3.05Å
20	E	29.9	Very low	30.5	Very low	143 Å²	143	137.8 Å²	137.8	67%	0.668	74%	0.735	S	S	*	*	S	Bend	trans	-87.1	-9.8	178.6	-75.8	177.7	179.9	0	0	112.7	R16	R16-E20 PolarHBondContact O-N 3.35Å
21	L	33.2	Very low	30.1	Very low	154 Å²	154	144.9 Å²	144.9	81%	0.806	75%	0.746	S	S	*	*	S	Bend	trans	-85.1	-14.2	173.3	-110.6	91.2	0	0	0	114.7
22	E	28.8	Very low	30	Very low	173 Å²	173	148.3 Å²	148.3	81%	0.808	75%	0.753	S	S	*	*	S	Bend	trans	-98.7	15.5	-174.6	-72.6	-171.9	158	0	0	114.5
23	R	28.1	Very low	30	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	74%	0.744	S	S	*	*			trans	-125.8	31.7	-172.8	-106.6	-172.2	-175.4	-171.6	2.5	116.5
24	S	28.6	Very low	29.8	Very low	109 Å²	109	143 Å²	143	76%	0.762	74%	0.737	S	S	*	*			trans	-132.4	45.8	169.6	75.2	0	0	0	0	114.1
25	D	28.8	Very low	29.6	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	74%	0.741	S	S	*	*			trans	-112.3	95.8	162.5	-85.9	-23.5	0	0	0	109.6
26	S	29.1	Very low	29.6	Very low	112 Å²	112	145.7 Å²	145.7	78%	0.783	74%	0.738	S	S	*	*			trans	162.2	81.5	144.3	65.6	0	0	0	0	111.8
27	I	26.5	Very low	29.7	Very low	172 Å²	172	142.7 Å²	142.7	88%	0.882	73%	0.732	S	S	*	*			trans	-138	93.4	147.9	-57.3	-177.5	0	0	0	108.2	S29	I27-S29 PolarHBondContact O-N 2.9Å
28	T	25.6	Very low	30.1	Very low	134 Å²	134	141.8 Å²	141.8	82%	0.822	72%	0.722	S	S	*	*			trans	-56.6	125.8	167.5	26.5	0	0	0	0	112.1
29	S	38.8	Very low	30.6	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	73%	0.725	S	S	*	*				41.1	105	125.8	-172.8	0	0	0	0	117.8	I27	I27-S29 PolarHBondContact O-N 2.9Å
30	Q	27.2	Very low	31.4	Very low	190 Å²	190	146.1 Å²	146.1	89%	0.888	73%	0.728	S	S	*	*	S	Bend	trans	-164.3	2.6	142.2	-112.3	173.2	13.3	0	0	116.5
31	R	27.1	Very low	32.3	Very low	246 Å²	246	144.2 Å²	144.2	93%	0.928	72%	0.719	S	S	*	*	S	Bend	trans	-112.8	2.4	-178.6	-89.5	-176.9	174.1	178.3	-1.3	116.9
32	F	29.2	Very low	33.3	Very low	176 Å²	176	140.5 Å²	140.5	77%	0.772	70%	0.7	S	S	*	*	S	Bend	trans	-106.3	7.7	-170.1	-105	-89.3	0	0	0	116.3
33	I	30.3	Very low	34.6	Very low	117 Å²	117	133.6 Å²	133.6	60%	0.6	67%	0.673	S	S	*	*	H	α-helix	trans	-81.4	-36.2	-179.9	-60.6	175.8	0	0	0	111.6	Q37	I33-Q37 PolarHBondContact O-N 3.29Å
34	G	27.2	Very low	36.2	Very low	51 Å²	51	129.3 Å²	129.3	53%	0.526	66%	0.657	S	S	.	*	H	α-helix	trans	-73.3	-31.8	-173.9	0	0	0	0	0	115.8	S38	G34-S38 PolarHBondContact O-N 3.28Å
35	R	31.4	Very low	38	Very low	198 Å²	198	129.8 Å²	129.8	75%	0.747	65%	0.645	S	S	*	*	H	α-helix	trans	-79.5	-30.6	-178.7	-116.1	-179.6	-176.5	-177.8	-0.5	113.2	L39	R35-L39 WeakPolarHBondContact O-CG 3.47Å; R35-L39 PolarHBondContact O-N 3.29Å
36	R	31.5	Very low	39.6	Very low	195 Å²	195	127.7 Å²	127.7	74%	0.736	63%	0.63	S	S	*	*	H	α-helix	trans	-72.5	-37.6	175.8	-130.3	-179.7	-175.1	-177.9	1.3	111.4	I40	R36-I40 WeakPolarHBondContact O-CD1 3.39Å; R36-I40 VanDerWaalsContact O-CG1 3.23Å; R36-I40 WeakPolarHBondContact O-CG1 3.49Å; R36-I40 PolarHBondContact O-N 3.03Å
37	Q	31.1	Very low	41.4	Very low	116 Å²	116	125.3 Å²	125.3	54%	0.542	60%	0.604	S	S	.	*	H	α-helix	trans	-65	-40.7	172.4	-85.7	174.9	-30.3	0	0	112.4	I33 I40 E41	I33-Q37 PolarHBondContact O-N 3.29Å; Q37-I40 PolarHBondContact O-N 3.32Å; Q37-E41 WeakPolarHBondContact O-CB 3.35Å; Q37-E41 WeakPolarHBondContact O-CG 3.45Å; Q37-E41 PolarHBondContact O-N 2.74Å
38	S	39	Very low	43.4	Very low	49 Å²	49	121.8 Å²	121.8	34%	0.343	58%	0.584	S	S	.	*	H	α-helix	trans	-61.6	-45.4	177	135.6	0	0	0	0	112.3	G34 I40 E41 D42	G34-S38 PolarHBondContact O-N 3.28Å; S38-I40 PolarHBondContact O-N 3.05Å; S38-E41 PolarHBondContact O-N 3.28Å; S38-D42 VanDerWaalsContact O-CB 3.3Å; S38-D42 WeakPolarHBondContact O-CB 3.39Å; S38-D42 PolarHBondContact O-N 2.89Å; S38-D42 VanDerWaalsContact O-OD2 3.08Å; S38-D42 PolarHBondContact OG-OD2 2.96Å
39	L	41.1	Very low	45.3	Very low	118 Å²	118	118 Å²	118	62%	0.618	57%	0.565	S	S	*	*	H	α-helix	trans	-67.5	-35.1	179.6	-68	170.2	0	0	0	112.8	R35 A43	R35-L39 WeakPolarHBondContact O-CG 3.47Å; R35-L39 PolarHBondContact O-N 3.29Å; L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 2.94Å
40	I	47.5	Very low	46.4	Very low	114 Å²	114	113.2 Å²	113.2	59%	0.585	53%	0.532	S	S	*	.	H	α-helix	trans	-69.7	-41.7	175	-67.1	166.3	0	0	0	110.7	R36 Q37 S38 R44	R36-I40 WeakPolarHBondContact O-CD1 3.39Å; R36-I40 VanDerWaalsContact O-CG1 3.23Å; R36-I40 WeakPolarHBondContact O-CG1 3.49Å; R36-I40 PolarHBondContact O-N 3.03Å; Q37-I40 PolarHBondContact O-N 3.32Å; S38-I40 PolarHBondContact O-N 3.05Å; I40-R44 WeakPolarHBondContact O-CB 3.39Å; I40-R44 PolarHBondContact O-N 2.95Å
41	E	49.3	Very low	48.1	Very low	103 Å²	103	105.7 Å²	105.7	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-67.5	-38.1	175.8	-78.2	-171.9	169.8	0	0	112.6	Q37 S38 R44 K45	Q37-E41 WeakPolarHBondContact O-CB 3.35Å; Q37-E41 WeakPolarHBondContact O-CG 3.45Å; Q37-E41 PolarHBondContact O-N 2.74Å; S38-E41 PolarHBondContact O-N 3.28Å; E41-R44 PolarHBondContact O-N 3.34Å; E41-K45 WeakPolarHBondContact O-CB 3.39Å; E41-K45 WeakPolarHBondContact O-CG 3.36Å; E41-K45 PolarHBondContact O-N 3.13Å
42	D	54.2	Low	49.7	Very low	76 Å²	76	96.9 Å²	96.9	41%	0.406	48%	0.483	S	S	.	.	H	α-helix	trans	-67.6	-43.7	177.3	-68.6	-27.4	0	0	0	110.7	S38 R44 K45 E46	S38-D42 VanDerWaalsContact O-CB 3.3Å; S38-D42 WeakPolarHBondContact O-CB 3.39Å; S38-D42 PolarHBondContact O-N 2.89Å; S38-D42 VanDerWaalsContact O-OD2 3.08Å; S38-D42 PolarHBondContact OG-OD2 2.96Å; D42-R44 VanDerWaalsContact C-N 3.34Å; D42-R44 PolarHBondContact O-N 3.49Å; D42-K45 PolarHBondContact O-N 3.19Å; D42-E46 PolarHBondContact O-N 2.99Å
43	A	54.4	Low	51.2	Low	29 Å²	29	90.3 Å²	90.3	24%	0.24	46%	0.46	C	S	.	.	H	α-helix	trans	-61.8	-40.5	171.8	0	0	0	0	0	111.9	L39 E46 R47 T97	L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.44Å; L39-A43 PolarHBondContact O-N 2.94Å; A43-E46 PolarHBondContact O-N 3.37Å; A43-R47 WeakPolarHBondContact O-CG 3.43Å; A43-R47 PolarHBondContact O-N 3.24Å; A43-T97 HydrophobicContact CB-CG2 4.42Å
44	R	63.5	Low	52.5	Low	146 Å²	146	85.4 Å²	85.4	55%	0.551	44%	0.438	S	S	*	.	H	α-helix	trans	-65.4	-42.2	176.3	-158.6	-173.9	87.1	-168.6	-0.9	111.8	I40 E41 D42 R47 E48	I40-R44 WeakPolarHBondContact O-CB 3.39Å; I40-R44 PolarHBondContact O-N 2.95Å; E41-R44 PolarHBondContact O-N 3.34Å; D42-R44 VanDerWaalsContact C-N 3.34Å; D42-R44 PolarHBondContact O-N 3.49Å; R44-R47 PolarHBondContact O-N 2.94Å; R44-E48 IonicContact CZ-OE1 2.86Å; R44-E48 IonicContact NE-OE1 2.68Å; R44-E48 PolarHBondContact NE-OE1 3.45Å; R44-E48 IonicContact NH2-OE1 3.74Å; R44-E48 PolarHBondContact NH2-OE1 3.03Å; R44-E48 WeakPolarHBondContact O-CB 3.46Å; R44-E48 VanDerWaalsContact O-CG 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.37Å; R44-E48 PolarHBondContact O-N 3.45Å
45	K	64.4	Low	54	Low	119 Å²	119	90.9 Å²	90.9	52%	0.517	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-39.3	174.5	-79.1	174.4	-176.2	165.3	0	111.9	E41 D42 E48 A49	E41-K45 WeakPolarHBondContact O-CB 3.39Å; E41-K45 WeakPolarHBondContact O-CG 3.36Å; E41-K45 PolarHBondContact O-N 3.13Å; D42-K45 PolarHBondContact O-N 3.19Å; K45-E48 PolarHBondContact O-N 3.42Å; K45-A49 VanDerWaalsContact O-CB 3.22Å; K45-A49 WeakPolarHBondContact O-CB 3.39Å; K45-A49 PolarHBondContact O-N 3.5Å
46	E	64.2	Low	55	Low	120 Å²	120	85.6 Å²	85.6	56%	0.561	45%	0.448	S	S	*	.	H	α-helix	trans	-64.3	-42.9	173.1	-80.9	-168.4	157.4	0	0	111.7	D42 A43 A49 A50	D42-E46 PolarHBondContact O-N 2.99Å; A43-E46 PolarHBondContact O-N 3.37Å; E46-A49 PolarHBondContact O-N 3.3Å; E46-A50 VanDerWaalsContact O-CB 3.22Å; E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 3.44Å
47	R	66.7	Low	55.9	Low	63 Å²	63	79.5 Å²	79.5	24%	0.238	44%	0.44	C	S	.	.	H	α-helix	trans	-60.7	-46.5	173.8	-73.3	-172.7	-173	178.2	12	111.6	A43 R44 A50 A51 T97 F98 E99	A43-R47 WeakPolarHBondContact O-CG 3.43Å; A43-R47 PolarHBondContact O-N 3.24Å; R44-R47 PolarHBondContact O-N 2.94Å; R47-A50 PolarHBondContact O-N 3.29Å; R47-A51 WeakPolarHBondContact O-CB 3.42Å; R47-A51 PolarHBondContact O-N 3.33Å; R47-T97 HydrophobicContact CG-CG2 4.29Å; R47-T97 PolarHBondContact NE-O 3.26Å; R47-T97 PolarHBondContact NH2-O 3.5Å; R47-F98 HydrophobicContact CB-CE1 4.42Å; R47-F98 HydrophobicContact CG-CD1 4.19Å; R47-F98 HydrophobicContact CG-CE1 3.78Å; R47-F98 HydrophobicContact CG-CZ 4.22Å; R47-E99 IonicContact CZ-OE1 3.52Å; R47-E99 IonicContact NH1-OE1 3.46Å; R47-E99 IonicContact NH2-OE1 3.13Å; R47-E99 PolarHBondContact NH2-OE1 2.9Å
48	E	68.1	Low	56.8	Low	98 Å²	98	83.2 Å²	83.2	46%	0.458	46%	0.457	S	S	.	.	H	α-helix	trans	-63.1	-44.8	177.6	-74	169.3	-164.5	0	0	111.7	R44 K45 A50 A51 A52	R44-E48 IonicContact CZ-OE1 2.86Å; R44-E48 IonicContact NE-OE1 2.68Å; R44-E48 PolarHBondContact NE-OE1 3.45Å; R44-E48 IonicContact NH2-OE1 3.74Å; R44-E48 PolarHBondContact NH2-OE1 3.03Å; R44-E48 WeakPolarHBondContact O-CB 3.46Å; R44-E48 VanDerWaalsContact O-CG 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.37Å; R44-E48 PolarHBondContact O-N 3.45Å; K45-E48 PolarHBondContact O-N 3.42Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 3.06Å; E48-A51 PolarHBondContact O-N 3.36Å; E48-A52 PolarHBondContact O-N 3.27Å
49	A	66.3	Low	57	Low	53 Å²	53	84 Å²	84	44%	0.438	47%	0.466	S	S	.	.	H	α-helix	trans	-68.5	-29.5	176.8	0	0	0	0	0	112.9	K45 E46 A53 R142	K45-A49 VanDerWaalsContact O-CB 3.22Å; K45-A49 WeakPolarHBondContact O-CB 3.39Å; K45-A49 PolarHBondContact O-N 3.5Å; E46-A49 PolarHBondContact O-N 3.3Å; A49-A53 PolarHBondContact O-N 3.3Å; A49-R142 PolarHBondContact O-NH2 2.94Å
50	A	61.5	Low	57.3	Low	0 Å²	0	85.8 Å²	85.8	0%	0	48%	0.482	C	S	.	.	H	α-helix	trans	-71.5	-41.5	171.4	0	0	0	0	0	111.6	E46 R47 E48 A53 A54 F98 T135 S139	E46-A50 VanDerWaalsContact O-CB 3.22Å; E46-A50 WeakPolarHBondContact O-CB 3.41Å; E46-A50 PolarHBondContact O-N 3.44Å; R47-A50 PolarHBondContact O-N 3.29Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 3.06Å; A50-A53 PolarHBondContact O-N 3Å; A50-A54 WeakPolarHBondContact O-CB 3.48Å; A50-A54 PolarHBondContact O-N 2.77Å; A50-F98 HydrophobicContact CB-CZ 4.27Å; A50-T135 HydrophobicContact CB-CG2 3.35Å; A50-S139 WeakPolarHBondContact CB-OG 3.38Å
51	A	62.8	Low	57.6	Low	33 Å²	33	85.9 Å²	85.9	27%	0.273	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-47	178.8	0	0	0	0	0	111.5	R47 E48 A53 A54 E55 T135	R47-A51 WeakPolarHBondContact O-CB 3.42Å; R47-A51 PolarHBondContact O-N 3.33Å; E48-A51 PolarHBondContact O-N 3.36Å; A51-A53 PolarHBondContact O-N 3.21Å; A51-A54 WeakPolarHBondContact O-CB 3.46Å; A51-A54 PolarHBondContact O-N 3.13Å; A51-A54 VanDerWaalsContact O-N 3.12Å; A51-E55 PolarHBondContact O-N 3.46Å; A51-T135 HydrophobicContact CB-CG2 4.15Å
52	A	60.3	Low	58.7	Low	61 Å²	61	89.5 Å²	89.5	50%	0.504	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-32.2	177.1	0	0	0	0	0	113.2	E48 A56	E48-A52 PolarHBondContact O-N 3.27Å; A52-A56 PolarHBondContact O-N 3.14Å
53	A	59.8	Low	60.1	Low	37 Å²	37	88.4 Å²	88.4	31%	0.306	49%	0.491	S	S	.	.	H	α-helix	trans	-80.6	-30	176.3	0	0	0	0	0	113.3	A49 A50 A51 A56 A57	A49-A53 PolarHBondContact O-N 3.3Å; A50-A53 PolarHBondContact O-N 3Å; A51-A53 PolarHBondContact O-N 3.21Å; A53-A56 PolarHBondContact O-N 3.23Å; A53-A57 WeakPolarHBondContact O-CB 3.4Å; A53-A57 PolarHBondContact O-N 3.37Å; A53-A57 VanDerWaalsContact O-N 3.15Å
54	A	58.8	Low	61.5	Low	15 Å²	15	89 Å²	89	12%	0.124	49%	0.491	C	S	.	.	H	α-helix	trans	-65.5	-41.1	173.1	0	0	0	0	0	110.6	A50 A51 A56 A57 S138	A50-A54 WeakPolarHBondContact O-CB 3.48Å; A50-A54 PolarHBondContact O-N 2.77Å; A51-A54 WeakPolarHBondContact O-CB 3.46Å; A51-A54 PolarHBondContact O-N 3.13Å; A51-A54 VanDerWaalsContact O-N 3.12Å; A54-A56 VanDerWaalsContact C-N 3.31Å; A54-A56 PolarHBondContact O-N 2.76Å; A54-A57 PolarHBondContact O-N 2.94Å; A54-S138 VanDerWaalsContact CB-OG 3.26Å; A54-S138 WeakPolarHBondContact CB-OG 3.41Å
55	E	57.8	Low	62.6	Low	165 Å²	165	84.8 Å²	84.8	77%	0.771	48%	0.477	S	S	*	.	H	α-helix	trans	-64.4	-32.4	174	-72.2	-178.3	167.8	0	0	112.9	A51	A51-E55 PolarHBondContact O-N 3.46Å
56	A	51.9	Low	63.6	Low	88 Å²	88	83 Å²	83	73%	0.727	47%	0.471	S	S	*	.	H	α-helix	trans	-79.8	-18.4	177.6	0	0	0	0	0	113.9	A52 A53 A54 E58	A52-A56 PolarHBondContact O-N 3.14Å; A53-A56 PolarHBondContact O-N 3.23Å; A54-A56 VanDerWaalsContact C-N 3.31Å; A54-A56 PolarHBondContact O-N 2.76Å; A56-E58 PolarHBondContact O-N 3.48Å
57	A	52.4	Low	64.7	Low	67 Å²	67	83.7 Å²	83.7	55%	0.554	47%	0.474	S	S	*	.			trans	-96.9	65.3	-178.1	0	0	0	0	0	111.1	A53 A54 A59	A53-A57 WeakPolarHBondContact O-CB 3.4Å; A53-A57 PolarHBondContact O-N 3.37Å; A53-A57 VanDerWaalsContact O-N 3.15Å; A54-A57 PolarHBondContact O-N 2.94Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A57-A59 PolarHBondContact O-N 2.83Å
58	E	49.2	Very low	65.4	Low	193 Å²	193	87.4 Å²	87.4	90%	0.902	49%	0.494	S	S	*	.			trans	-67.3	93.1	165.7	-87.1	-170.1	155	0	0	110.1	A56	A56-E58 PolarHBondContact O-N 3.48Å
59	A	43.9	Very low	66.1	Low	65 Å²	65	90.3 Å²	90.3	54%	0.537	51%	0.513	S	S	.	.			trans	-141.5	91.7	164.9	0	0	0	0	0	110	A57 E61	A57-A59 VanDerWaalsContact C-N 3.34Å; A57-A59 PolarHBondContact O-N 2.83Å; A59-E61 PolarHBondContact O-N 3.36Å
60	T	45.8	Very low	66.9	Low	156 Å²	156	89.2 Å²	89.2	96%	0.957	51%	0.506	S	S	*	.			trans	33.2	15.6	134.3	14.4	0	0	0	0	122.8
61	E	55	Low	68.3	Low	116 Å²	116	93.6 Å²	93.6	54%	0.542	53%	0.526	S	S	.	.			trans	-106.4	110.9	171	-77	-178.7	155.4	0	0	110.2	A59 I63 K141	A59-E61 PolarHBondContact O-N 3.36Å; E61-I63 PolarHBondContact O-N 3.25Å; E61-I63 VanDerWaalsContact O-N 3.16Å; E61-K141 IonicContact OE2-NZ 2.74Å; E61-K141 PolarHBondContact OE2-NZ 2.97Å
62	Q	71.8	Confident	69.6	Low	180 Å²	180	92 Å²	92	84%	0.841	51%	0.513	S	S	*	.			trans	-60.3	116.2	172.8	-112.1	172.3	-10.5	0	0	109.3	V64	Q62-V64 PolarHBondContact O-N 3.18Å
63	I	82.7	Confident	71	Confident	53 Å²	53	90.6 Å²	90.6	27%	0.272	50%	0.496	S	S	.	.			trans	-74	123.8	169.6	-55.5	175.8	0	0	0	107.3	E61 F65 L74 V133 V137 T149	E61-I63 PolarHBondContact O-N 3.25Å; E61-I63 VanDerWaalsContact O-N 3.16Å; I63-F65 HydrophobicContact CG2-CD1 4.18Å; I63-L74 HydrophobicContact CG2-CD2 4.41Å; I63-V133 HydrophobicContact CG2-CG1 3.73Å; I63-V137 HydrophobicContact CD1-CB 4.05Å; I63-V137 HydrophobicContact CD1-CG1 4.19Å; I63-V137 HydrophobicContact CD1-CG2 4.16Å; I63-V137 HydrophobicContact CG2-CG2 4.21Å; I63-T149 HydrophobicContact CG2-CG2 4.08Å
64	V	85.6	Confident	72.5	Confident	40 Å²	40	88.8 Å²	88.8	24%	0.242	48%	0.482	C	S	.	.			trans	-109.9	124.7	-174.9	-178.8	0	0	0	0	109.1	Q62 T149 K151	Q62-V64 PolarHBondContact O-N 3.18Å; V64-T149 PolarHBondContact N-OG1 2.68Å; V64-T149 WeakPolarHBondContact O-CB 3.45Å; V64-K151 HydrophobicContact CG1-CB 4.29Å; V64-K151 HydrophobicContact CG1-CD 4.06Å; V64-K151 HydrophobicContact CG1-CG 3.18Å
65	F	85.6	Confident	74	Confident	59 Å²	59	88.1 Å²	88.1	26%	0.259	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167.4	178.2	57.2	-90.4	0	0	0	111.6	I63 E67 A72 L74 L130 V133	I63-F65 HydrophobicContact CG2-CD1 4.18Å; F65-E67 HydrophobicContact CE2-CB 4.34Å; F65-A72 HydrophobicContact CB-CB 4.38Å; F65-A72 HydrophobicContact CD2-CB 3.69Å; F65-A72 HydrophobicContact CE2-CB 4.19Å; F65-A72 HydrophobicContact CG-CB 4.11Å; F65-L74 HydrophobicContact CB-CD1 3.31Å; F65-L74 HydrophobicContact CB-CG 3.96Å; F65-L74 HydrophobicContact CD1-CD1 4.27Å; F65-L74 HydrophobicContact CG-CD1 3.9Å; F65-L130 HydrophobicContact CD2-CD2 4.24Å; F65-L130 HydrophobicContact CE2-CD2 3.41Å; F65-L130 VanDerWaalsContact CE2-CD2 3.41Å; F65-L130 HydrophobicContact CZ-CD2 3.96Å; F65-V133 HydrophobicContact CD1-CG1 4Å; F65-V133 HydrophobicContact CE1-CG1 4.11Å
66	E	85.9	Confident	75.5	Confident	81 Å²	81	80.2 Å²	80.2	38%	0.379	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.1	167.5	-66.3	171.3	179.6	0	0	108.5	A72 L73 R125	E66-A72 CarbonylContact O-C 3.58Å; E66-A72 WeakPolarHBondContact O-CA 2.98Å; E66-L73 HydrophobicContact CB-CB 4.26Å; E66-L73 PolarHBondContact N-O 3.28Å; E66-L73 PolarHBondContact O-N 3.18Å; E66-R125 IonicContact OE2-NH2 3.43Å
67	E	86.1	Confident	77.3	Confident	134 Å²	134	77 Å²	77	63%	0.626	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.4	-179.4	-178.6	177.7	158.1	0	0	109.5	F65 K71 L130	F65-E67 HydrophobicContact CE2-CB 4.34Å; E67-K71 WeakPolarHBondContact CA-O 3.35Å; E67-L130 HydrophobicContact CG-CD1 3.89Å; E67-L130 HydrophobicContact CG-CD2 3.99Å; E67-L130 HydrophobicContact CG-CG 4.42Å; E67-L130 WeakPolarHBondContact OE1-CD1 3.39Å
68	E	82.8	Confident	79.1	Confident	141 Å²	141	73.9 Å²	73.9	66%	0.659	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	123.2	176	-167.9	170.2	-166.1	0	0	108.6	G70 K71	E68-G70 PolarHBondContact O-N 3.18Å; E68-K71 PolarHBondContact N-O 3.12Å; E68-K71 WeakPolarHBondContact O-CA 3.34Å; E68-K71 WeakPolarHBondContact O-CB 3.45Å; E68-K71 PolarHBondContact O-N 3.48Å
69	D	82.8	Confident	80.9	Confident	159 Å²	159	65.5 Å²	65.5	85%	0.85	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	44.8	175	-65.4	-23.9	0	0	0	116.1	K71	D69-K71 PolarHBondContact O-N 2.93Å
70	G	82.9	Confident	82.7	Confident	30 Å²	30	63.2 Å²	63.2	31%	0.309	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	4.3	179	0	0	0	0	0	114.2	E68 L130	E68-G70 PolarHBondContact O-N 3.18Å; G70-L130 WeakPolarHBondContact O-CD1 3.43Å; G70-L130 WeakPolarHBondContact O-CG 3.45Å; G70-L130 PolarHBondContact O-N 3.47Å
71	K	89.8	Confident	84	Confident	93 Å²	93	62.7 Å²	62.7	40%	0.404	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	151.9	173.9	-59.9	-175.8	178.3	179.9	0	110.7	E67 E68 D69 E127 L128	E67-K71 WeakPolarHBondContact CA-O 3.35Å; E68-K71 PolarHBondContact N-O 3.12Å; E68-K71 WeakPolarHBondContact O-CA 3.34Å; E68-K71 WeakPolarHBondContact O-CB 3.45Å; E68-K71 PolarHBondContact O-N 3.48Å; D69-K71 PolarHBondContact O-N 2.93Å; K71-E127 HydrophobicContact CB-CG 4.09Å; K71-E127 HydrophobicContact CD-CG 3.73Å; K71-E127 WeakPolarHBondContact CD-OE1 3.28Å; K71-E127 IonicContact NZ-OE1 3.91Å; K71-E127 PolarHBondContact NZ-OE1 2.69Å; K71-E127 IonicContact NZ-OE2 3.8Å; K71-L128 CarbonylContact C-O 3.58Å; K71-L128 WeakPolarHBondContact CA-O 3.38Å
72	A	90.2	Very high	84.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.7	173.5	0	0	0	0	0	109.8	F65 E66 L74 E127 L128 L130 V133	F65-A72 HydrophobicContact CB-CB 4.38Å; F65-A72 HydrophobicContact CD2-CB 3.69Å; F65-A72 HydrophobicContact CE2-CB 4.19Å; F65-A72 HydrophobicContact CG-CB 4.11Å; E66-A72 CarbonylContact O-C 3.58Å; E66-A72 WeakPolarHBondContact O-CA 2.98Å; A72-L74 HydrophobicContact CB-CD1 3.67Å; A72-E127 WeakPolarHBondContact O-CA 3.48Å; A72-L128 HydrophobicContact CB-CD2 4.48Å; A72-L128 PolarHBondContact N-O 3.48Å; A72-L128 PolarHBondContact O-N 2.8Å; A72-L130 HydrophobicContact CB-CD2 3.92Å; A72-V133 HydrophobicContact CB-CG2 3.37Å
73	L	89.9	Confident	83.6	Confident	30 Å²	30	57.8 Å²	57.8	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	110.5	167.6	-169.6	62.7	0	0	0	108.5	E66 R125 E127	E66-L73 HydrophobicContact CB-CB 4.26Å; E66-L73 PolarHBondContact N-O 3.28Å; E66-L73 PolarHBondContact O-N 3.18Å; L73-R125 HydrophobicContact CD1-CG 4.13Å; L73-E127 HydrophobicContact CD1-CB 4.24Å
74	L	91.1	Very high	82.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.4	-175.2	-104.7	80	0	0	0	111	I63 F65 A72 I76 R125 C126 L128 V133 V137 T149	I63-L74 HydrophobicContact CG2-CD2 4.41Å; F65-L74 HydrophobicContact CB-CD1 3.31Å; F65-L74 HydrophobicContact CB-CG 3.96Å; F65-L74 HydrophobicContact CD1-CD1 4.27Å; F65-L74 HydrophobicContact CG-CD1 3.9Å; A72-L74 HydrophobicContact CB-CD1 3.67Å; L74-I76 HydrophobicContact CB-CD1 4.16Å; L74-I76 HydrophobicContact CB-CG1 3.99Å; L74-I76 HydrophobicContact CD2-CD1 3.75Å; L74-I76 HydrophobicContact CD2-CG1 3.88Å; L74-I76 HydrophobicContact CG-CG1 4.4Å; L74-R125 CarbonylContact O-C 3.53Å; L74-R125 VanDerWaalsContact O-CA 3.28Å; L74-R125 WeakPolarHBondContact O-CA 3.37Å; L74-C126 PolarHBondContact N-O 3.38Å; L74-C126 PolarHBondContact O-N 2.84Å; L74-L128 HydrophobicContact CB-CD2 4.37Å; L74-L128 HydrophobicContact CD1-CD2 3.97Å; L74-V133 HydrophobicContact CD1-CB 4.47Å; L74-V133 HydrophobicContact CD1-CG1 3.81Å; L74-V133 HydrophobicContact CD1-CG2 3.88Å; L74-V133 HydrophobicContact CD2-CG1 4.04Å; L74-V137 HydrophobicContact CD2-CG2 3.88Å; L74-T149 HydrophobicContact CD2-CG2 4.31Å
75	N	90.5	Very high	80.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.1	165.7	-63	-62.5	0	0	0	107.9	F123 R125 T149 T150 K151	N75-F123 HydrophobicContact CB-CE2 3.72Å; N75-F123 HydrophobicContact CB-CZ 4.16Å; N75-R125 WeakPolarHBondContact OD1-CG 3.21Å; N75-T149 VanDerWaalsContact O-CA 3.23Å; N75-T149 WeakPolarHBondContact O-CA 3.36Å; N75-T150 HydrophobicContact CB-CG2 3.78Å; N75-T150 WeakPolarHBondContact CB-O 3.37Å; N75-T150 PolarHBondContact ND2-O 3.33Å; N75-T150 VanDerWaalsContact ND2-O 3.15Å; N75-T150 PolarHBondContact O-N 3.11Å; N75-K151 PolarHBondContact ND2-O 3.48Å; N75-K151 VanDerWaalsContact ND2-O 3.13Å
76	I	90.8	Very high	79.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.3	-172.2	-50.6	169.4	0	0	0	109.7	L74 F78 F95 F123 V124 L136 I140 V147 K148 T149	L74-I76 HydrophobicContact CB-CD1 4.16Å; L74-I76 HydrophobicContact CB-CG1 3.99Å; L74-I76 HydrophobicContact CD2-CD1 3.75Å; L74-I76 HydrophobicContact CD2-CG1 3.88Å; L74-I76 HydrophobicContact CG-CG1 4.4Å; I76-F78 HydrophobicContact CG2-CD1 4.08Å; I76-F95 HydrophobicContact CD1-CE1 3.98Å; I76-F95 HydrophobicContact CD1-CZ 4.31Å; I76-F123 CarbonylContact O-C 3.53Å; I76-F123 WeakPolarHBondContact O-CA 3.24Å; I76-F123 WeakPolarHBondContact O-CD2 3.33Å; I76-V124 PolarHBondContact N-O 3.1Å; I76-V124 PolarHBondContact O-N 3.23Å; I76-L136 HydrophobicContact CD1-CD2 4.06Å; I76-I140 HydrophobicContact CD1-CD1 3.93Å; I76-V147 HydrophobicContact CG2-CG1 3.94Å; I76-K148 CarbonylContact C-O 3.57Å; I76-K148 WeakPolarHBondContact CA-O 3.29Å; I76-T149 HydrophobicContact CG1-CG2 4.16Å
77	F	89.4	Confident	78.4	Confident	21 Å²	21	60.5 Å²	60.5	9%	0.092	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137	167.9	-68.7	-89.5	0	0	0	109.4	R108 E121 Y122 F123 V147 K148 T150 V153	F77-R108 VanDerWaalsContact CE1-NH1 3.29Å; F77-E121 HydrophobicContact CB-CG 4.34Å; F77-E121 HydrophobicContact CD1-CG 4.01Å; F77-Y122 CarbonylContact C-O 3.55Å; F77-Y122 VanDerWaalsContact CA-O 3.26Å; F77-Y122 WeakPolarHBondContact CA-O 3.23Å; F77-F123 HydrophobicContact CD1-CB 3.95Å; F77-F123 HydrophobicContact CD1-CD2 4.03Å; F77-F123 HydrophobicContact CD1-CG 4.32Å; F77-F123 HydrophobicContact CD2-CD2 4.03Å; F77-F123 HydrophobicContact CE1-CB 3.6Å; F77-F123 AromaticContact CE1-CD2 3.55Å; F77-F123 HydrophobicContact CE1-CD2 3.55Å; F77-F123 AromaticContact CE1-CG 3.68Å; F77-F123 HydrophobicContact CE1-CG 3.68Å; F77-F123 AromaticContact CE2-CD2 3.53Å; F77-F123 HydrophobicContact CE2-CD2 3.53Å; F77-F123 AromaticContact CE2-CE2 3.82Å; F77-F123 HydrophobicContact CE2-CE2 3.82Å; F77-F123 HydrophobicContact CE2-CG 4.42Å; F77-F123 HydrophobicContact CG-CD2 4.25Å; F77-F123 HydrophobicContact CZ-CB 4.19Å; F77-F123 AromaticContact CZ-CD2 3.26Å; F77-F123 HydrophobicContact CZ-CD2 3.26Å; F77-F123 AromaticContact CZ-CE2 3.81Å; F77-F123 HydrophobicContact CZ-CE2 3.81Å; F77-F123 AromaticContact CZ-CG 3.73Å; F77-F123 HydrophobicContact CZ-CG 3.73Å; F77-V147 CarbonylContact O-C 3.58Å; F77-V147 VanDerWaalsContact O-CA 3.23Å; F77-V147 WeakPolarHBondContact O-CA 3.37Å; F77-K148 HydrophobicContact CB-CB 4.42Å; F77-K148 PolarHBondContact N-O 3.47Å; F77-K148 PolarHBondContact O-N 3.22Å; F77-T150 HydrophobicContact CD2-CG2 4.27Å; F77-T150 HydrophobicContact CE2-CG2 3.66Å; F77-V153 HydrophobicContact CZ-CG2 4.37Å
78	F	88.6	Confident	77.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	159.1	174.5	61.4	-90.7	0	0	0	112	I76 L80 T91 F95 Y122 V124 I140 A144 V147	I76-F78 HydrophobicContact CG2-CD1 4.08Å; F78-L80 HydrophobicContact CD2-CD2 4.11Å; F78-L80 HydrophobicContact CE2-CD2 3.78Å; F78-L80 HydrophobicContact CE2-CG 4.29Å; F78-T91 HydrophobicContact CD2-CG2 4.47Å; F78-T91 HydrophobicContact CE2-CG2 3.77Å; F78-T91 HydrophobicContact CZ-CG2 3.9Å; F78-F95 HydrophobicContact CE1-CE2 4.49Å; F78-F95 HydrophobicContact CE1-CZ 4.35Å; F78-Y122 HydrophobicContact CD2-CD2 4.47Å; F78-Y122 HydrophobicContact CD2-CG 4.44Å; F78-Y122 HydrophobicContact CE2-CD2 4.14Å; F78-Y122 AromaticContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CZ-CG 4.12Å; F78-Y122 PolarHBondContact N-O 2.81Å; F78-Y122 PolarHBondContact O-N 2.93Å; F78-V124 HydrophobicContact CE1-CB 4.46Å; F78-V124 HydrophobicContact CE1-CG2 3.73Å; F78-V124 HydrophobicContact CZ-CG2 4.2Å; F78-I140 HydrophobicContact CB-CG2 4.32Å; F78-I140 HydrophobicContact CD1-CG2 4.29Å; F78-I140 HydrophobicContact CG-CG2 4.18Å; F78-A144 HydrophobicContact CB-CB 3.94Å; F78-A144 HydrophobicContact CD2-CB 3.78Å; F78-A144 HydrophobicContact CG-CB 4.18Å; F78-V147 HydrophobicContact CB-CB 4.49Å; F78-V147 HydrophobicContact CB-CG2 3.95Å
79	T	86.9	Confident	77.5	Confident	18 Å²	18	51 Å²	51	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.3	173.1	-61.2	0	0	0	0	109.2	A144 E145	T79-A144 CarbonylContact O-C 3.58Å; T79-A144 WeakPolarHBondContact O-CA 3.31Å; T79-A144 WeakPolarHBondContact O-CB 3.19Å; T79-E145 PolarHBondContact N-O 3.11Å; T79-E145 PolarHBondContact O-N 3.49Å
80	L	82.5	Confident	77.2	Confident	17 Å²	17	49.6 Å²	49.6	9%	0.089	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.2	177.3	-64.8	177.9	0	0	0	110.6	F78 N82 A87 L88 T91 Y122	F78-L80 HydrophobicContact CD2-CD2 4.11Å; F78-L80 HydrophobicContact CE2-CD2 3.78Å; F78-L80 HydrophobicContact CE2-CG 4.29Å; L80-N82 PolarHBondContact O-N 2.93Å; L80-N82 VanDerWaalsContact O-N 3.16Å; L80-A87 HydrophobicContact CB-CB 4.48Å; L80-A87 HydrophobicContact CD1-CB 4.15Å; L80-L88 HydrophobicContact CD1-CB 3.88Å; L80-L88 HydrophobicContact CD1-CD1 4.31Å; L80-T91 HydrophobicContact CD2-CG2 4.28Å; L80-T91 VanDerWaalsContact CD2-OG1 3.25Å; L80-T91 WeakPolarHBondContact CD2-OG1 3.43Å; L80-Y122 HydrophobicContact CB-CE2 4.38Å; L80-Y122 HydrophobicContact CD1-CD2 4.29Å; L80-Y122 HydrophobicContact CD1-CE1 4.42Å; L80-Y122 HydrophobicContact CD1-CE2 3.58Å; L80-Y122 HydrophobicContact CG-CD2 4Å; L80-Y122 HydrophobicContact CG-CE2 3.68Å
81	R	72.8	Confident	77.1	Confident	145 Å²	145	48.1 Å²	48.1	55%	0.547	25%	0.254	S	S	.	.	S	Bend	trans	-64.5	-18.9	179.7	-59.7	-164.6	-175.9	-155.4	4.2	113.5	K141 A144 E145	R81-K141 PolarHBondContact NH2-O 3.27Å; R81-A144 PolarHBondContact NE-O 3.21Å; R81-A144 VanDerWaalsContact NE-O 3.11Å; R81-A144 PolarHBondContact NH2-O 2.98Å; R81-E145 WeakPolarHBondContact CD-OE1 3.45Å; R81-E145 HydrophobicContact CG-CB 4.47Å; R81-E145 HydrophobicContact CG-CG 3.71Å; R81-E145 VanDerWaalsContact CG-OE1 3.31Å; R81-E145 WeakPolarHBondContact CG-OE1 3.34Å; R81-E145 IonicContact NE-OE1 3.26Å
82	N	63.7	Low	76.9	Confident	99 Å²	99	45.7 Å²	45.7	53%	0.529	25%	0.246	S	C	.	.	S	Bend	trans	-142.8	131.7	178.9	-148	-13.4	0	0	0	108.5	L80 K84 A87	L80-N82 PolarHBondContact O-N 2.93Å; L80-N82 VanDerWaalsContact O-N 3.16Å; N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 3.3Å; N82-A87 WeakPolarHBondContact O-CB 3.45Å
83	S	55	Low	76.6	Confident	93 Å²	93	51.8 Å²	51.8	65%	0.65	27%	0.272	S	S	*	.			trans	-82	4.8	-173.5	56.2	0	0	0	0	114.7
84	K	53.4	Low	76.5	Confident	145 Å²	145	51 Å²	51	63%	0.63	27%	0.269	S	S	*	.	S	Bend	trans	-78.4	142.6	179.1	-61.2	-171.3	177.4	-173.3	0	111.2	N82 P86 A87	N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 3.3Å; K84-P86 VanDerWaalsContact C-N 3.32Å; K84-P86 HydrophobicContact CB-CG 4.26Å; K84-P86 WeakPolarHBondContact O-CD 3.5Å; K84-A87 WeakPolarHBondContact O-CB 3.44Å; K84-A87 PolarHBondContact O-N 3.07Å
85	A	52.4	Low	76.4	Confident	53 Å²	53	51.1 Å²	51.1	44%	0.438	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39	-42.2	177.5	0	0	0	0	0	116.5	A87 L88	A85-A87 PolarHBondContact O-N 3.09Å; A85-A87 VanDerWaalsContact O-N 3.08Å; A85-L88 PolarHBondContact O-N 2.66Å
86	P	58	Low	76.3	Confident	74 Å²	74	57.5 Å²	57.5	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-65.8	-10.2	178.2	21.9	-33.5	0	0	0	115.6	K84 S89 K90	K84-P86 VanDerWaalsContact C-N 3.32Å; K84-P86 HydrophobicContact CB-CG 4.26Å; K84-P86 WeakPolarHBondContact O-CD 3.5Å; P86-S89 PolarHBondContact O-OG 3.26Å; P86-K90 WeakPolarHBondContact O-CD 3.34Å; P86-K90 WeakPolarHBondContact O-CG 3.38Å
87	A	67	Low	76.1	Confident	18 Å²	18	59 Å²	59	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-80.8	-35.2	176	0	0	0	0	0	112.6	L80 N82 K84 A85 T91	L80-A87 HydrophobicContact CB-CB 4.48Å; L80-A87 HydrophobicContact CD1-CB 4.15Å; N82-A87 WeakPolarHBondContact O-CB 3.45Å; K84-A87 WeakPolarHBondContact O-CB 3.44Å; K84-A87 PolarHBondContact O-N 3.07Å; A85-A87 PolarHBondContact O-N 3.09Å; A85-A87 VanDerWaalsContact O-N 3.08Å; A87-T91 PolarHBondContact O-N 2.85Å; A87-T91 PolarHBondContact O-OG1 3.46Å
88	L	74.7	Confident	76.2	Confident	17 Å²	17	58.3 Å²	58.3	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-71	-48.8	178.2	179.4	59.5	0	0	0	110.5	L80 A85 K90 T91 L92 Y122 L171	L80-L88 HydrophobicContact CD1-CB 3.88Å; L80-L88 HydrophobicContact CD1-CD1 4.31Å; A85-L88 PolarHBondContact O-N 2.66Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.41Å; L88-T91 CarbonylContact O-C 3.04Å; L88-T91 WeakPolarHBondContact O-CA 3.34Å; L88-T91 PolarHBondContact O-N 2.95Å; L88-L92 HydrophobicContact CD1-CD1 4.23Å; L88-L92 HydrophobicContact CD1-CD2 4.44Å; L88-L92 HydrophobicContact CD1-CG 4.05Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 HydrophobicContact CG-CG 4.26Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.13Å; L88-Y122 HydrophobicContact CD1-CD1 3.9Å; L88-Y122 HydrophobicContact CD1-CE1 3.6Å; L88-Y122 HydrophobicContact CD2-CE1 4.01Å; L88-Y122 HydrophobicContact CG-CE1 4.36Å; L88-L171 HydrophobicContact CD2-CD2 3.86Å
89	S	74.9	Confident	76.2	Confident	59 Å²	59	65.6 Å²	65.6	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-40.9	179.2	61.5	0	0	0	0	112.4	P86 T91 L92 K93	P86-S89 PolarHBondContact O-OG 3.26Å; S89-T91 VanDerWaalsContact C-N 3.31Å; S89-T91 PolarHBondContact O-N 3.23Å; S89-L92 PolarHBondContact O-N 2.8Å; S89-K93 WeakPolarHBondContact O-CG 3.34Å; S89-K93 PolarHBondContact O-N 2.85Å
90	K	76.6	Confident	76.4	Confident	129 Å²	129	65.3 Å²	65.3	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-61.6	-38.1	172.7	-75	176.8	-173.8	-175.3	0	113	P86 L88	P86-K90 WeakPolarHBondContact O-CD 3.34Å; P86-K90 WeakPolarHBondContact O-CG 3.38Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.41Å
91	T	82.2	Confident	76.7	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-73.6	-39.7	179.3	-54.7	0	0	0	0	111	F78 L80 A87 L88 S89 K93 V94 F95 I140	F78-T91 HydrophobicContact CD2-CG2 4.47Å; F78-T91 HydrophobicContact CE2-CG2 3.77Å; F78-T91 HydrophobicContact CZ-CG2 3.9Å; L80-T91 HydrophobicContact CD2-CG2 4.28Å; L80-T91 VanDerWaalsContact CD2-OG1 3.25Å; L80-T91 WeakPolarHBondContact CD2-OG1 3.43Å; A87-T91 PolarHBondContact O-N 2.85Å; A87-T91 PolarHBondContact O-OG1 3.46Å; L88-T91 CarbonylContact O-C 3.04Å; L88-T91 WeakPolarHBondContact O-CA 3.34Å; L88-T91 PolarHBondContact O-N 2.95Å; S89-T91 VanDerWaalsContact C-N 3.31Å; S89-T91 PolarHBondContact O-N 3.23Å; T91-K93 VanDerWaalsContact C-N 3.35Å; T91-K93 PolarHBondContact O-N 3.37Å; T91-V94 VanDerWaalsContact O-CB 3.24Å; T91-V94 WeakPolarHBondContact O-CB 3.48Å; T91-V94 PolarHBondContact O-N 3.39Å; T91-V94 VanDerWaalsContact O-N 3.1Å; T91-F95 HydrophobicContact CG2-CE2 4.38Å; T91-F95 WeakPolarHBondContact O-CD2 3.41Å; T91-I140 HydrophobicContact CG2-CG2 4.5Å
92	L	83.5	Confident	77.5	Confident	42 Å²	42	66.8 Å²	66.8	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-38.4	174.6	-68.1	179.1	0	0	0	112.2	L88 S89 V94 F95 E96 I102 L105	L88-L92 HydrophobicContact CD1-CD1 4.23Å; L88-L92 HydrophobicContact CD1-CD2 4.44Å; L88-L92 HydrophobicContact CD1-CG 4.05Å; L88-L92 HydrophobicContact CG-CD1 4.02Å; L88-L92 HydrophobicContact CG-CG 4.26Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.13Å; S89-L92 PolarHBondContact O-N 2.8Å; L92-V94 PolarHBondContact O-N 2.95Å; L92-F95 WeakPolarHBondContact O-CB 3.37Å; L92-F95 PolarHBondContact O-N 2.96Å; L92-E96 PolarHBondContact O-N 2.7Å; L92-I102 HydrophobicContact CD2-CD1 4.1Å; L92-L105 HydrophobicContact CD2-CD2 4.1Å
93	K	84.4	Confident	78.6	Confident	127 Å²	127	65.5 Å²	65.5	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-56.5	-30.3	171.5	-77.8	179.1	-179.1	-171.6	0	113.4	S89 T91 E96 T97	S89-K93 WeakPolarHBondContact O-CG 3.34Å; S89-K93 PolarHBondContact O-N 2.85Å; T91-K93 VanDerWaalsContact C-N 3.35Å; T91-K93 PolarHBondContact O-N 3.37Å; K93-E96 PolarHBondContact O-N 3.21Å; K93-T97 WeakPolarHBondContact O-CB 3.42Å; K93-T97 PolarHBondContact O-N 3.02Å; K93-T97 PolarHBondContact O-OG1 2.87Å; K93-T97 VanDerWaalsContact O-OG1 3.04Å
94	V	87.9	Confident	80.2	Confident	15 Å²	15	61.3 Å²	61.3	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-47.9	174	-178.3	0	0	0	0	109.7	T91 L92 E96 T97 F98 L136 S139 I140	T91-V94 VanDerWaalsContact O-CB 3.24Å; T91-V94 WeakPolarHBondContact O-CB 3.48Å; T91-V94 PolarHBondContact O-N 3.39Å; T91-V94 VanDerWaalsContact O-N 3.1Å; L92-V94 PolarHBondContact O-N 2.95Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.22Å; V94-T97 PolarHBondContact O-N 3.44Å; V94-F98 HydrophobicContact CG1-CD2 3.93Å; V94-F98 HydrophobicContact CG1-CE2 3.84Å; V94-F98 WeakPolarHBondContact O-CD2 3.34Å; V94-F98 PolarHBondContact O-N 3.01Å; V94-L136 HydrophobicContact CG1-CD1 3.95Å; V94-S139 VanDerWaalsContact CG1-CB 3.44Å; V94-I140 HydrophobicContact CG1-CG1 4.21Å
95	F	90	Very high	81.7	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-42.3	177.4	-66.4	-90.9	0	0	0	111.8	I76 F78 T91 L92 F98 E99 A100 I102 V124 C126 L136 I140	I76-F95 HydrophobicContact CD1-CE1 3.98Å; I76-F95 HydrophobicContact CD1-CZ 4.31Å; F78-F95 HydrophobicContact CE1-CE2 4.49Å; F78-F95 HydrophobicContact CE1-CZ 4.35Å; T91-F95 HydrophobicContact CG2-CE2 4.38Å; T91-F95 WeakPolarHBondContact O-CD2 3.41Å; L92-F95 WeakPolarHBondContact O-CB 3.37Å; L92-F95 PolarHBondContact O-N 2.96Å; F95-F98 CarbonylContact O-C 3.47Å; F95-F98 PolarHBondContact O-N 3.38Å; F95-E99 PolarHBondContact O-N 2.57Å; F95-A100 HydrophobicContact CB-CB 4.16Å; F95-A100 HydrophobicContact CD1-CB 4.09Å; F95-A100 WeakPolarHBondContact O-CB 3.36Å; F95-A100 PolarHBondContact O-N 3.01Å; F95-I102 HydrophobicContact CB-CD1 3.94Å; F95-I102 HydrophobicContact CB-CG1 4.26Å; F95-I102 HydrophobicContact CD1-CD1 4.42Å; F95-I102 HydrophobicContact CD1-CG1 4.32Å; F95-I102 HydrophobicContact CD2-CD1 4.42Å; F95-I102 HydrophobicContact CG-CD1 4.02Å; F95-I102 HydrophobicContact CG-CG1 4.36Å; F95-V124 HydrophobicContact CD1-CG1 4.33Å; F95-V124 HydrophobicContact CE1-CB 4.32Å; F95-V124 HydrophobicContact CE1-CG1 3.66Å; F95-V124 HydrophobicContact CE2-CG2 4.48Å; F95-V124 HydrophobicContact CZ-CB 4.07Å; F95-V124 HydrophobicContact CZ-CG1 3.84Å; F95-V124 HydrophobicContact CZ-CG2 4.09Å; F95-C126 HydrophobicContact CD1-CB 4.33Å; F95-C126 HydrophobicContact CE1-CB 4.44Å; F95-L136 HydrophobicContact CD1-CD1 4.17Å; F95-L136 HydrophobicContact CD1-CD2 4.24Å; F95-L136 HydrophobicContact CE1-CD2 4.16Å; F95-L136 HydrophobicContact CG-CD1 4.5Å; F95-I140 HydrophobicContact CE1-CD1 3.96Å; F95-I140 HydrophobicContact CE2-CD1 4Å; F95-I140 HydrophobicContact CE2-CG1 4.39Å; F95-I140 HydrophobicContact CZ-CD1 3.48Å; F95-I140 VanDerWaalsContact CZ-CD1 3.48Å; F95-I140 HydrophobicContact CZ-CG1 4.35Å
96	E	86.8	Confident	83.3	Confident	134 Å²	134	54 Å²	54	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-45.2	174.6	-64.7	172	-177.2	0	0	112.3	L92 K93 V94 F98 E99	L92-E96 PolarHBondContact O-N 2.7Å; K93-E96 PolarHBondContact O-N 3.21Å; V94-E96 VanDerWaalsContact C-N 3.31Å; V94-E96 PolarHBondContact O-N 3.22Å; E96-F98 PolarHBondContact O-N 2.99Å; E96-E99 PolarHBondContact O-N 3.48Å
97	T	88.5	Confident	84.5	Confident	31 Å²	31	50.5 Å²	50.5	19%	0.19	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-32.1	177.8	-65.6	0	0	0	0	112	A43 R47 K93 V94	A43-T97 HydrophobicContact CB-CG2 4.42Å; R47-T97 HydrophobicContact CG-CG2 4.29Å; R47-T97 PolarHBondContact NE-O 3.26Å; R47-T97 PolarHBondContact NH2-O 3.5Å; K93-T97 WeakPolarHBondContact O-CB 3.42Å; K93-T97 PolarHBondContact O-N 3.02Å; K93-T97 PolarHBondContact O-OG1 2.87Å; K93-T97 VanDerWaalsContact O-OG1 3.04Å; V94-T97 PolarHBondContact O-N 3.44Å
98	F	89.6	Confident	85.2	Confident	7 Å²	7	51.1 Å²	51.1	3%	0.031	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9	176.1	-70.6	-79.1	0	0	0	113.6	R47 A50 V94 F95 E96 A100 D132 T135 L136	R47-F98 HydrophobicContact CB-CE1 4.42Å; R47-F98 HydrophobicContact CG-CD1 4.19Å; R47-F98 HydrophobicContact CG-CE1 3.78Å; R47-F98 HydrophobicContact CG-CZ 4.22Å; A50-F98 HydrophobicContact CB-CZ 4.27Å; V94-F98 HydrophobicContact CG1-CD2 3.93Å; V94-F98 HydrophobicContact CG1-CE2 3.84Å; V94-F98 WeakPolarHBondContact O-CD2 3.34Å; V94-F98 PolarHBondContact O-N 3.01Å; F95-F98 CarbonylContact O-C 3.47Å; F95-F98 PolarHBondContact O-N 3.38Å; E96-F98 PolarHBondContact O-N 2.99Å; F98-A100 PolarHBondContact O-N 3.21Å; F98-A100 VanDerWaalsContact O-N 3.07Å; F98-D132 HydrophobicContact CD1-CB 4Å; F98-T135 HydrophobicContact CE1-CG2 3.61Å; F98-T135 HydrophobicContact CZ-CG2 3.63Å; F98-L136 HydrophobicContact CB-CD1 4.03Å; F98-L136 HydrophobicContact CD2-CB 4.2Å; F98-L136 HydrophobicContact CD2-CD1 3.52Å; F98-L136 HydrophobicContact CD2-CG 4.49Å; F98-L136 HydrophobicContact CE2-CD1 4.34Å; F98-L136 HydrophobicContact CG-CB 4.27Å; F98-L136 HydrophobicContact CG-CD1 3.98Å
99	E	89	Confident	85.2	Confident	153 Å²	153	52.6 Å²	52.6	72%	0.715	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	30	-176.2	-65.2	164.3	-132	0	0	112.4	R47 F95 E96 K101	R47-E99 IonicContact CZ-OE1 3.52Å; R47-E99 IonicContact NH1-OE1 3.46Å; R47-E99 IonicContact NH2-OE1 3.13Å; R47-E99 PolarHBondContact NH2-OE1 2.9Å; F95-E99 PolarHBondContact O-N 2.57Å; E96-E99 PolarHBondContact O-N 3.48Å; E99-K101 PolarHBondContact O-N 3.25Å
100	A	90.8	Very high	85.2	Confident	12 Å²	12	51.2 Å²	51.2	10%	0.099	25%	0.248	C	C	.	.			trans	-73.3	120.8	-179.2	0	0	0	0	0	109.3	F95 F98 I102 C126 E127 L128	F95-A100 HydrophobicContact CB-CB 4.16Å; F95-A100 HydrophobicContact CD1-CB 4.09Å; F95-A100 WeakPolarHBondContact O-CB 3.36Å; F95-A100 PolarHBondContact O-N 3.01Å; F98-A100 PolarHBondContact O-N 3.21Å; F98-A100 VanDerWaalsContact O-N 3.07Å; A100-I102 PolarHBondContact O-N 3.5Å; A100-C126 HydrophobicContact CB-CB 4.42Å; A100-E127 CarbonylContact C-O 3.57Å; A100-E127 WeakPolarHBondContact CA-O 3.26Å; A100-L128 HydrophobicContact CB-CB 4.07Å
101	K	89.7	Confident	84.7	Confident	126 Å²	126	54.7 Å²	54.7	55%	0.548	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	104.6	175	-177	-179.8	179.1	-178	0	108.9	E99 H103 C126 E127	E99-K101 PolarHBondContact O-N 3.25Å; K101-H103 PolarHBondContact O-CD2 3.09Å; K101-H103 PolarHBondContact O-N 3.23Å; K101-C126 CarbonylContact O-C 3.6Å; K101-C126 WeakPolarHBondContact O-CA 3.42Å; K101-C126 WeakPolarHBondContact O-CB 3.33Å; K101-E127 HydrophobicContact CB-CB 4.34Å; K101-E127 PolarHBondContact N-O 2.61Å; K101-E127 PolarHBondContact O-N 3.32Å
102	I	89.6	Confident	83.7	Confident	68 Å²	68	59.8 Å²	59.8	35%	0.349	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	120.2	174.5	-61.3	177.2	0	0	0	108.6	L92 F95 A100 L105 V124 C126	L92-I102 HydrophobicContact CD2-CD1 4.1Å; F95-I102 HydrophobicContact CB-CD1 3.94Å; F95-I102 HydrophobicContact CB-CG1 4.26Å; F95-I102 HydrophobicContact CD1-CD1 4.42Å; F95-I102 HydrophobicContact CD1-CG1 4.32Å; F95-I102 HydrophobicContact CD2-CD1 4.42Å; F95-I102 HydrophobicContact CG-CD1 4.02Å; F95-I102 HydrophobicContact CG-CG1 4.36Å; A100-I102 PolarHBondContact O-N 3.5Å; I102-L105 HydrophobicContact CG2-CB 4.36Å; I102-V124 HydrophobicContact CG1-CG1 4.29Å; I102-V124 HydrophobicContact CG2-CG1 4.17Å; I102-C126 HydrophobicContact CG1-CB 4.33Å
103	H	86.9	Confident	82.2	Confident	72 Å²	72	66.3 Å²	66.3	33%	0.333	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-33.7	173.6	-69.7	-75.6	0	0	0	111.9	K101 R125 E127	K101-H103 PolarHBondContact O-CD2 3.09Å; K101-H103 PolarHBondContact O-N 3.23Å; H103-R125 HydrophobicContact CB-CB 4.5Å; H103-R125 HydrophobicContact CB-CG 4.41Å; H103-R125 PolarHBondContact N-O 2.95Å; H103-E127 VanDerWaalsContact NE2-CB 3.31Å; H103-E127 WeakPolarHBondContact NE2-CB 3.4Å
104	H	87.5	Confident	80.7	Confident	5 Å²	5	66.7 Å²	66.7	2%	0.023	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.5	-175.9	-174	73.7	0	0	0	111	E106 F123 V124 R125 H156 R289 D352	H104-E106 IonicContact CE1-OE2 2.69Å; H104-E106 WeakPolarHBondContact NE2-CG 3.47Å; H104-E106 IonicContact NE2-OE1 2.66Å; H104-E106 IonicContact NE2-OE2 2.75Å; H104-E106 PolarHBondContact NE2-OE2 2.91Å; H104-E106 VanDerWaalsContact NE2-OE2 3.08Å; H104-F123 AromaticContact CD2-CD1 3.56Å; H104-F123 AromaticContact CD2-CE1 3.46Å; H104-F123 VanDerWaalsContact CD2-CE1 3.46Å; H104-F123 WeakPolarHBondContact CD2-CE1 3.46Å; H104-F123 AromaticContact NE2-CD1 3.93Å; H104-V124 CarbonylContact O-C 3.54Å; H104-V124 WeakPolarHBondContact O-CA 3.47Å; H104-R125 HydrophobicContact CB-CB 3.76Å; H104-R125 PolarHBondContact N-O 3.22Å; H104-R125 VanDerWaalsContact N-O 3.12Å; H104-R125 PolarHBondContact O-N 3.15Å; H104-H156 AromaticContact CD2-ND1 3.57Å; H104-H156 AromaticContact CE1-CE1 3.58Å; H104-H156 AromaticContact CE1-CG 3.65Å; H104-H156 AromaticContact CE1-ND1 2.94Å; H104-H156 PolarHBondContact CE1-ND1 3.02Å; H104-H156 AromaticContact CG-CE1 3.63Å; H104-H156 AromaticContact CG-ND1 3.6Å; H104-H156 AromaticContact ND1-CE1 3.35Å; H104-H156 PolarHBondContact ND1-CE1 2.94Å; H104-H156 VanDerWaalsContact ND1-CE1 3.35Å; H104-H156 AromaticContact ND1-ND1 3.23Å; H104-H156 PolarHBondContact ND1-ND1 3.2Å; H104-H156 AromaticContact NE2-CE1 3.92Å; H104-H156 AromaticContact NE2-ND1 3.1Å; H104-H156 PolarHBondContact NE2-ND1 3.41Å; H104-H156 VanDerWaalsContact NE2-ND1 3.1Å; H104-R289 PolarHBondContact CE1-NE 2.82Å; H104-D352 WeakPolarHBondContact CB-OD2 3.36Å; H104-D352 IonicContact CE1-OD1 3.32Å; H104-D352 IonicContact CG-OD1 2.7Å; H104-D352 IonicContact CG-OD2 3.7Å; H104-D352 IonicContact ND1-OD1 3.64Å; H104-D352 PolarHBondContact ND1-OD1 2.79Å; H104-D352 IonicContact ND1-OD2 3.05Å; H104-D352 PolarHBondContact ND1-OD2 3.27Å; H104-D352 VanDerWaalsContact ND1-OD2 3.16Å
105	L	86.4	Confident	78.6	Confident	42 Å²	42	75.1 Å²	75.1	22%	0.22	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	126.8	174	171.4	64.8	0	0	0	108.7	L92 I102 Y122 F123 V124 L171	L92-L105 HydrophobicContact CD2-CD2 4.1Å; I102-L105 HydrophobicContact CG2-CB 4.36Å; L105-Y122 HydrophobicContact CD1-CD1 4.46Å; L105-F123 WeakPolarHBondContact CA-O 3.24Å; L105-V124 HydrophobicContact CD1-CG2 3.5Å; L105-V124 VanDerWaalsContact CD1-CG2 3.5Å; L105-L171 HydrophobicContact CD1-CD2 4.24Å; L105-L171 HydrophobicContact CD2-CD1 4.44Å; L105-L171 HydrophobicContact CD2-CD2 3.77Å; L105-L171 HydrophobicContact CG-CD1 3.95Å; L105-L171 HydrophobicContact CG-CD2 3.88Å
106	E	85.2	Confident	76.3	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.009	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.6	174.4	65.8	-178.5	-164	0	0	111.4	H104 R108 F123 W157	H104-E106 IonicContact CE1-OE2 2.69Å; H104-E106 WeakPolarHBondContact NE2-CG 3.47Å; H104-E106 IonicContact NE2-OE1 2.66Å; H104-E106 IonicContact NE2-OE2 2.75Å; H104-E106 PolarHBondContact NE2-OE2 2.91Å; H104-E106 VanDerWaalsContact NE2-OE2 3.08Å; E106-R108 IonicContact OE1-CZ 3.67Å; E106-R108 IonicContact OE1-NE 3.85Å; E106-R108 PolarHBondContact OE1-NE 2.96Å; E106-R108 IonicContact OE1-NH2 2.85Å; E106-R108 PolarHBondContact OE1-NH2 3.11Å; E106-F123 HydrophobicContact CG-CB 3.81Å; E106-F123 HydrophobicContact CG-CD1 3.76Å; E106-F123 HydrophobicContact CG-CG 4.28Å; E106-F123 PolarHBondContact N-O 2.94Å; E106-F123 PolarHBondContact O-N 3.23Å; E106-F123 WeakPolarHBondContact OE1-CD1 3.29Å; E106-W157 VanDerWaalsContact OE1-CB 3.29Å; E106-W157 WeakPolarHBondContact OE1-CB 3.41Å; E106-W157 PolarHBondContact OE1-N 3.18Å; E106-W157 WeakPolarHBondContact OE2-CB 3.46Å; E106-W157 PolarHBondContact OE2-N 3Å
107	T	82.7	Confident	74.5	Confident	0 Å²	0	83 Å²	83	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145.1	173.4	51.3	0	0	0	0	110.6	E121 Y122 W157 R167 L171	T107-E121 CarbonylContact C-O 3.54Å; T107-E121 WeakPolarHBondContact CA-O 3.33Å; T107-Y122 HydrophobicContact CG2-CD1 3.73Å; T107-Y122 HydrophobicContact CG2-CE1 3.51Å; T107-Y122 HydrophobicContact CG2-CG 4.44Å; T107-W157 VanDerWaalsContact O-CZ3 3.26Å; T107-W157 WeakPolarHBondContact O-CZ3 3.42Å; T107-R167 PolarHBondContact OG1-O 2.67Å; T107-L171 HydrophobicContact CG2-CD1 4.35Å; T107-L171 HydrophobicContact CG2-CD2 4.09Å; T107-L171 HydrophobicContact CG2-CG 4.07Å
108	R	82.3	Confident	73	Confident	31 Å²	31	88.4 Å²	88.4	12%	0.117	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.4	-179.1	-61.1	-174.5	-179.1	-174.9	-1.6	110.9	F77 E106 S110 E121 W157	F77-R108 VanDerWaalsContact CE1-NH1 3.29Å; E106-R108 IonicContact OE1-CZ 3.67Å; E106-R108 IonicContact OE1-NE 3.85Å; E106-R108 PolarHBondContact OE1-NE 2.96Å; E106-R108 IonicContact OE1-NH2 2.85Å; E106-R108 PolarHBondContact OE1-NH2 3.11Å; R108-S110 PolarHBondContact O-N 3.07Å; R108-E121 HydrophobicContact CB-CB 4.47Å; R108-E121 PolarHBondContact N-O 3.31Å; R108-E121 PolarHBondContact O-N 3.08Å; R108-W157 HydrophobicContact CG-CB 4.03Å; R108-W157 HydrophobicContact CG-CD2 4.14Å; R108-W157 HydrophobicContact CG-CG 3.83Å
109	P	75	Confident	71.9	Confident	48 Å²	48	89.4 Å²	89.4	31%	0.312	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	128.2	168.7	-15.8	30	0	0	0	109.9	R111 W157 R167	P109-R111 PolarHBondContact O-N 2.79Å; P109-W157 HydrophobicContact CG-CZ2 4.42Å; P109-R167 VanDerWaalsContact CG-NH1 3.34Å
110	S	74.1	Confident	71.4	Confident	31 Å²	31	83.3 Å²	83.3	22%	0.217	40%	0.404	C	S	.	.			trans	-62.8	136.9	176.2	-179.2	0	0	0	0	111.1	R108 K112 G119	R108-S110 PolarHBondContact O-N 3.07Å; S110-K112 VanDerWaalsContact C-N 3.26Å; S110-K112 PolarHBondContact O-N 3.45Å; S110-K112 PolarHBondContact OG-N 3.22Å; S110-G119 WeakPolarHBondContact CB-O 3.44Å; S110-G119 PolarHBondContact N-O 3.43Å
111	R	65.9	Low	71.1	Confident	202 Å²	202	83.4 Å²	83.4	76%	0.762	40%	0.402	S	S	*	.	S	Bend	trans	-74.8	-14.7	178.4	-63.2	-176.9	-176.9	-172.5	1	113.3	P109	P109-R111 PolarHBondContact O-N 2.79Å
112	K	62.9	Low	71	Confident	106 Å²	106	77.9 Å²	77.9	46%	0.461	38%	0.378	S	S	.	.	S	Bend	trans	-101.5	113.3	179	-68.9	-176.5	178.8	179.7	0	109.1	S110 R114 D146	S110-K112 VanDerWaalsContact C-N 3.26Å; S110-K112 PolarHBondContact O-N 3.45Å; S110-K112 PolarHBondContact OG-N 3.22Å; K112-R114 PolarHBondContact O-N 2.9Å; K112-R114 VanDerWaalsContact O-N 3.07Å; K112-D146 IonicContact NZ-OD1 3.8Å; K112-D146 PolarHBondContact NZ-OD1 2.78Å; K112-D146 IonicContact NZ-OD2 3.93Å; K112-D146 PolarHBondContact NZ-OD2 3.37Å
113	L	50.5	Low	71	Confident	180 Å²	180	74.8 Å²	74.8	94%	0.942	36%	0.362	S	S	*	.			trans	-66.4	104.4	162.8	-86.1	109.4	0	0	0	107.8
114	R	54	Low	71.1	Confident	135 Å²	135	71.3 Å²	71.3	51%	0.509	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-84.2	136.8	157.3	-72.6	-170.2	-179.3	178.6	5.1	107.4	K112 N116 L117 E145 D146	K112-R114 PolarHBondContact O-N 2.9Å; K112-R114 VanDerWaalsContact O-N 3.07Å; R114-N116 PolarHBondContact O-N 3.41Å; R114-L117 PolarHBondContact O-N 3.32Å; R114-E145 IonicContact CZ-OE2 2.8Å; R114-E145 IonicContact NH1-OE2 3.41Å; R114-E145 PolarHBondContact NH1-OE2 3.31Å; R114-E145 IonicContact NH2-OE2 3.95Å; R114-E145 PolarHBondContact NH2-OE2 2.92Å; R114-D146 IonicContact NH2-OD2 3.13Å
115	E	43.1	Very low	71.2	Confident	191 Å²	191	74.4 Å²	74.4	89%	0.893	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	113.6	177	-67	179.6	162.9	0	0	109.1
116	N	42.3	Very low	71.5	Confident	164 Å²	164	72.4 Å²	72.4	88%	0.877	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	12.7	170.4	-53.6	-24.7	0	0	0	120.1	R114	R114-N116 PolarHBondContact O-N 3.41Å
117	L	48.7	Very low	71.8	Confident	138 Å²	138	74.7 Å²	74.7	72%	0.723	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-136.7	120.7	167.7	-75.1	167.4	0	0	0	111.8	R114 G119	R114-L117 PolarHBondContact O-N 3.32Å; L117-G119 VanDerWaalsContact C-N 3.33Å; L117-G119 PolarHBondContact O-N 3.05Å
118	E	56.2	Low	72.4	Confident	143 Å²	143	75 Å²	75	67%	0.668	36%	0.359	S	S	*	.			trans	-62.7	91.5	166	-66.7	-169.3	158.2	0	0	109.4
119	G	67.6	Low	72.8	Confident	28 Å²	28	78.8 Å²	78.8	29%	0.289	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-72.2	142.8	-179.6	0	0	0	0	0	112.6	S110 L117	S110-G119 WeakPolarHBondContact CB-O 3.44Å; S110-G119 PolarHBondContact N-O 3.43Å; L117-G119 VanDerWaalsContact C-N 3.33Å; L117-G119 PolarHBondContact O-N 3.05Å
120	L	78.1	Confident	73.5	Confident	26 Å²	26	78.9 Å²	78.9	14%	0.136	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.6	170.9	-67.4	168.1	0	0	0	110.1	Y122 R167 H170	L120-Y122 HydrophobicContact CB-CE2 4.11Å; L120-R167 HydrophobicContact CD2-CB 3.65Å; L120-R167 HydrophobicContact CD2-CG 3.74Å; L120-H170 WeakPolarHBondContact CD1-CD2 3.37Å; L120-H170 WeakPolarHBondContact CD1-NE2 3.46Å
121	E	85.5	Confident	74.2	Confident	13 Å²	13	81 Å²	81	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.9	167.2	-177	177.2	-112.7	0	0	108.2	F77 T107 R108	F77-E121 HydrophobicContact CB-CG 4.34Å; F77-E121 HydrophobicContact CD1-CG 4.01Å; T107-E121 CarbonylContact C-O 3.54Å; T107-E121 WeakPolarHBondContact CA-O 3.33Å; R108-E121 HydrophobicContact CB-CB 4.47Å; R108-E121 PolarHBondContact N-O 3.31Å; R108-E121 PolarHBondContact O-N 3.08Å
122	Y	87.3	Confident	75.3	Confident	11 Å²	11	72.9 Å²	72.9	4%	0.043	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.8	175.3	-69.9	-99.9	0	0	0	108.7	F77 F78 L80 L88 L105 T107 L120 L171	F77-Y122 CarbonylContact C-O 3.55Å; F77-Y122 VanDerWaalsContact CA-O 3.26Å; F77-Y122 WeakPolarHBondContact CA-O 3.23Å; F78-Y122 HydrophobicContact CD2-CD2 4.47Å; F78-Y122 HydrophobicContact CD2-CG 4.44Å; F78-Y122 HydrophobicContact CE2-CD2 4.14Å; F78-Y122 AromaticContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CE2-CG 3.84Å; F78-Y122 HydrophobicContact CZ-CG 4.12Å; F78-Y122 PolarHBondContact N-O 2.81Å; F78-Y122 PolarHBondContact O-N 2.93Å; L80-Y122 HydrophobicContact CB-CE2 4.38Å; L80-Y122 HydrophobicContact CD1-CD2 4.29Å; L80-Y122 HydrophobicContact CD1-CE1 4.42Å; L80-Y122 HydrophobicContact CD1-CE2 3.58Å; L80-Y122 HydrophobicContact CG-CD2 4Å; L80-Y122 HydrophobicContact CG-CE2 3.68Å; L88-Y122 HydrophobicContact CD1-CD1 3.9Å; L88-Y122 HydrophobicContact CD1-CE1 3.6Å; L88-Y122 HydrophobicContact CD2-CE1 4.01Å; L88-Y122 HydrophobicContact CG-CE1 4.36Å; L105-Y122 HydrophobicContact CD1-CD1 4.46Å; T107-Y122 HydrophobicContact CG2-CD1 3.73Å; T107-Y122 HydrophobicContact CG2-CE1 3.51Å; T107-Y122 HydrophobicContact CG2-CG 4.44Å; L120-Y122 HydrophobicContact CB-CE2 4.11Å; Y122-L171 HydrophobicContact CD1-CD2 4.44Å; Y122-L171 HydrophobicContact CE1-CD2 4.13Å
123	F	89	Confident	76.6	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.2	172	173.6	-123.8	0	0	0	109.4	N75 I76 F77 H104 L105 E106 R125 V153	N75-F123 HydrophobicContact CB-CE2 3.72Å; N75-F123 HydrophobicContact CB-CZ 4.16Å; I76-F123 CarbonylContact O-C 3.53Å; I76-F123 WeakPolarHBondContact O-CA 3.24Å; I76-F123 WeakPolarHBondContact O-CD2 3.33Å; F77-F123 HydrophobicContact CD1-CB 3.95Å; F77-F123 HydrophobicContact CD1-CD2 4.03Å; F77-F123 HydrophobicContact CD1-CG 4.32Å; F77-F123 HydrophobicContact CD2-CD2 4.03Å; F77-F123 HydrophobicContact CE1-CB 3.6Å; F77-F123 AromaticContact CE1-CD2 3.55Å; F77-F123 HydrophobicContact CE1-CD2 3.55Å; F77-F123 AromaticContact CE1-CG 3.68Å; F77-F123 HydrophobicContact CE1-CG 3.68Å; F77-F123 AromaticContact CE2-CD2 3.53Å; F77-F123 HydrophobicContact CE2-CD2 3.53Å; F77-F123 AromaticContact CE2-CE2 3.82Å; F77-F123 HydrophobicContact CE2-CE2 3.82Å; F77-F123 HydrophobicContact CE2-CG 4.42Å; F77-F123 HydrophobicContact CG-CD2 4.25Å; F77-F123 HydrophobicContact CZ-CB 4.19Å; F77-F123 AromaticContact CZ-CD2 3.26Å; F77-F123 HydrophobicContact CZ-CD2 3.26Å; F77-F123 AromaticContact CZ-CE2 3.81Å; F77-F123 HydrophobicContact CZ-CE2 3.81Å; F77-F123 AromaticContact CZ-CG 3.73Å; F77-F123 HydrophobicContact CZ-CG 3.73Å; H104-F123 AromaticContact CD2-CD1 3.56Å; H104-F123 AromaticContact CD2-CE1 3.46Å; H104-F123 VanDerWaalsContact CD2-CE1 3.46Å; H104-F123 WeakPolarHBondContact CD2-CE1 3.46Å; H104-F123 AromaticContact NE2-CD1 3.93Å; L105-F123 WeakPolarHBondContact CA-O 3.24Å; E106-F123 HydrophobicContact CG-CB 3.81Å; E106-F123 HydrophobicContact CG-CD1 3.76Å; E106-F123 HydrophobicContact CG-CG 4.28Å; E106-F123 PolarHBondContact N-O 2.94Å; E106-F123 PolarHBondContact O-N 3.23Å; E106-F123 WeakPolarHBondContact OE1-CD1 3.29Å; F123-R125 HydrophobicContact CZ-CB 4.22Å; F123-V153 HydrophobicContact CE1-CG1 4.25Å; F123-V153 HydrophobicContact CE1-CG2 4.16Å; F123-V153 HydrophobicContact CE2-CG2 3.98Å; F123-V153 HydrophobicContact CZ-CB 4.37Å; F123-V153 HydrophobicContact CZ-CG1 4.49Å; F123-V153 HydrophobicContact CZ-CG2 3.59Å
124	V	89.8	Confident	78.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.8	175.6	177.8	0	0	0	0	109.6	I76 F78 F95 I102 H104 L105 C126	I76-V124 PolarHBondContact N-O 3.1Å; I76-V124 PolarHBondContact O-N 3.23Å; F78-V124 HydrophobicContact CE1-CB 4.46Å; F78-V124 HydrophobicContact CE1-CG2 3.73Å; F78-V124 HydrophobicContact CZ-CG2 4.2Å; F95-V124 HydrophobicContact CD1-CG1 4.33Å; F95-V124 HydrophobicContact CE1-CB 4.32Å; F95-V124 HydrophobicContact CE1-CG1 3.66Å; F95-V124 HydrophobicContact CE2-CG2 4.48Å; F95-V124 HydrophobicContact CZ-CB 4.07Å; F95-V124 HydrophobicContact CZ-CG1 3.84Å; F95-V124 HydrophobicContact CZ-CG2 4.09Å; I102-V124 HydrophobicContact CG1-CG1 4.29Å; I102-V124 HydrophobicContact CG2-CG1 4.17Å; H104-V124 CarbonylContact O-C 3.54Å; H104-V124 WeakPolarHBondContact O-CA 3.47Å; L105-V124 HydrophobicContact CD1-CG2 3.5Å; L105-V124 VanDerWaalsContact CD1-CG2 3.5Å; V124-C126 HydrophobicContact CG1-CB 4.12Å
125	R	89.6	Confident	80.1	Confident	70 Å²	70	56.7 Å²	56.7	26%	0.264	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.6	162.3	-170.2	176.2	-176.9	132.6	0.2	108.4	E66 L73 L74 N75 H103 H104 F123	E66-R125 IonicContact OE2-NH2 3.43Å; L73-R125 HydrophobicContact CD1-CG 4.13Å; L74-R125 CarbonylContact O-C 3.53Å; L74-R125 VanDerWaalsContact O-CA 3.28Å; L74-R125 WeakPolarHBondContact O-CA 3.37Å; N75-R125 WeakPolarHBondContact OD1-CG 3.21Å; H103-R125 HydrophobicContact CB-CB 4.5Å; H103-R125 HydrophobicContact CB-CG 4.41Å; H103-R125 PolarHBondContact N-O 2.95Å; H104-R125 HydrophobicContact CB-CB 3.76Å; H104-R125 PolarHBondContact N-O 3.22Å; H104-R125 VanDerWaalsContact N-O 3.12Å; H104-R125 PolarHBondContact O-N 3.15Å; F123-R125 HydrophobicContact CZ-CB 4.22Å
126	C	91.1	Very high	82.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.6	179.9	63.4	0	0	0	0	112.6	L74 F95 A100 K101 I102 V124	L74-C126 PolarHBondContact N-O 3.38Å; L74-C126 PolarHBondContact O-N 2.84Å; F95-C126 HydrophobicContact CD1-CB 4.33Å; F95-C126 HydrophobicContact CE1-CB 4.44Å; A100-C126 HydrophobicContact CB-CB 4.42Å; K101-C126 CarbonylContact O-C 3.6Å; K101-C126 WeakPolarHBondContact O-CA 3.42Å; K101-C126 WeakPolarHBondContact O-CB 3.33Å; I102-C126 HydrophobicContact CG1-CB 4.33Å; V124-C126 HydrophobicContact CG1-CB 4.12Å
127	E	92.8	Very high	84.7	Confident	50 Å²	50	40 Å²	40	23%	0.234	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.2	171.5	177.9	-168.9	90.8	0	0	109.6	K71 A72 L73 A100 K101 H103	K71-E127 HydrophobicContact CB-CG 4.09Å; K71-E127 HydrophobicContact CD-CG 3.73Å; K71-E127 WeakPolarHBondContact CD-OE1 3.28Å; K71-E127 IonicContact NZ-OE1 3.91Å; K71-E127 PolarHBondContact NZ-OE1 2.69Å; K71-E127 IonicContact NZ-OE2 3.8Å; A72-E127 WeakPolarHBondContact O-CA 3.48Å; L73-E127 HydrophobicContact CD1-CB 4.24Å; A100-E127 CarbonylContact C-O 3.57Å; A100-E127 WeakPolarHBondContact CA-O 3.26Å; K101-E127 HydrophobicContact CB-CB 4.34Å; K101-E127 PolarHBondContact N-O 2.61Å; K101-E127 PolarHBondContact O-N 3.32Å; H103-E127 VanDerWaalsContact NE2-CB 3.31Å; H103-E127 WeakPolarHBondContact NE2-CB 3.4Å
128	L	93.8	Very high	86.7	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	170	174.4	68.6	165.1	0	0	0	111.9	K71 A72 L74 A100 D132 V133 L136	K71-L128 CarbonylContact C-O 3.58Å; K71-L128 WeakPolarHBondContact CA-O 3.38Å; A72-L128 HydrophobicContact CB-CD2 4.48Å; A72-L128 PolarHBondContact N-O 3.48Å; A72-L128 PolarHBondContact O-N 2.8Å; L74-L128 HydrophobicContact CB-CD2 4.37Å; L74-L128 HydrophobicContact CD1-CD2 3.97Å; A100-L128 HydrophobicContact CB-CB 4.07Å; L128-D132 HydrophobicContact CD1-CB 4.1Å; L128-V133 HydrophobicContact CD1-CG2 4.4Å; L128-V133 HydrophobicContact CD2-CG2 4.32Å; L128-V133 HydrophobicContact CG-CG2 4.2Å; L128-L136 HydrophobicContact CD1-CB 3.87Å; L128-L136 HydrophobicContact CD1-CD2 3.54Å; L128-L136 HydrophobicContact CD1-CG 4.22Å; L128-L136 HydrophobicContact CD2-CD2 4.21Å
129	H	92.6	Very high	88.2	Confident	111 Å²	111	28.3 Å²	28.3	51%	0.514	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	141.1	176.2	-166	-94.2	0	0	0	111.6	S131 D132	H129-S131 PolarHBondContact ND1-N 3.25Å; H129-S131 PolarHBondContact ND1-OG 3.41Å; H129-S131 PolarHBondContact O-N 3.16Å; H129-S131 VanDerWaalsContact O-N 3.16Å; H129-D132 PolarHBondContact O-N 3.18Å
130	L	88.2	Confident	89.3	Confident	50 Å²	50	27 Å²	27	26%	0.262	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-54.9	-36.6	-175.6	-79.8	163	0	0	0	114	F65 E67 G70 A72 D132 V133	F65-L130 HydrophobicContact CD2-CD2 4.24Å; F65-L130 HydrophobicContact CE2-CD2 3.41Å; F65-L130 VanDerWaalsContact CE2-CD2 3.41Å; F65-L130 HydrophobicContact CZ-CD2 3.96Å; E67-L130 HydrophobicContact CG-CD1 3.89Å; E67-L130 HydrophobicContact CG-CD2 3.99Å; E67-L130 HydrophobicContact CG-CG 4.42Å; E67-L130 WeakPolarHBondContact OE1-CD1 3.39Å; G70-L130 WeakPolarHBondContact O-CD1 3.43Å; G70-L130 WeakPolarHBondContact O-CG 3.45Å; G70-L130 PolarHBondContact O-N 3.47Å; A72-L130 HydrophobicContact CB-CD2 3.92Å; L130-D132 PolarHBondContact O-N 2.87Å; L130-V133 PolarHBondContact O-N 3.45Å
131	S	88.6	Confident	89.8	Confident	76 Å²	76	29.2 Å²	29.2	53%	0.531	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-60.9	-25.7	179.3	58.9	0	0	0	0	113.5	H129	H129-S131 PolarHBondContact ND1-N 3.25Å; H129-S131 PolarHBondContact ND1-OG 3.41Å; H129-S131 PolarHBondContact O-N 3.16Å; H129-S131 VanDerWaalsContact O-N 3.16Å
132	D	90.5	Very high	89.7	Confident	31 Å²	31	34.3 Å²	34.3	17%	0.166	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-99.3	-8.3	-166.9	-64.8	-2.3	0	0	0	111.9	F98 L128 H129 L130 S134 T135 L136	F98-D132 HydrophobicContact CD1-CB 4Å; L128-D132 HydrophobicContact CD1-CB 4.1Å; H129-D132 PolarHBondContact O-N 3.18Å; L130-D132 PolarHBondContact O-N 2.87Å; D132-S134 PolarHBondContact O-N 2.8Å; D132-T135 PolarHBondContact O-N 2.56Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 PolarHBondContact O-N 3.05Å
133	V	89.1	Confident	89.4	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-56.1	-52.9	-176.1	171.6	0	0	0	0	112.6	I63 F65 A72 L74 L128 L130 T135 V137	I63-V133 HydrophobicContact CG2-CG1 3.73Å; F65-V133 HydrophobicContact CD1-CG1 4Å; F65-V133 HydrophobicContact CE1-CG1 4.11Å; A72-V133 HydrophobicContact CB-CG2 3.37Å; L74-V133 HydrophobicContact CD1-CB 4.47Å; L74-V133 HydrophobicContact CD1-CG1 3.81Å; L74-V133 HydrophobicContact CD1-CG2 3.88Å; L74-V133 HydrophobicContact CD2-CG1 4.04Å; L128-V133 HydrophobicContact CD1-CG2 4.4Å; L128-V133 HydrophobicContact CD2-CG2 4.32Å; L128-V133 HydrophobicContact CG-CG2 4.2Å; L130-V133 PolarHBondContact O-N 3.45Å; V133-T135 VanDerWaalsContact C-N 3.3Å; V133-T135 PolarHBondContact O-N 3.05Å; V133-V137 WeakPolarHBondContact O-CG2 3.45Å; V133-V137 PolarHBondContact O-N 3.48Å; V133-V137 VanDerWaalsContact O-N 3.12Å
134	S	89.1	Confident	89.3	Confident	58 Å²	58	36.7 Å²	36.7	41%	0.406	19%	0.187	S	C	.	.	H	α-helix	trans	-59.7	-43.7	179.7	167.6	0	0	0	0	111.5	D132 S138	D132-S134 PolarHBondContact O-N 2.8Å; S134-S138 WeakPolarHBondContact O-CB 3.12Å; S134-S138 PolarHBondContact O-N 2.71Å; S134-S138 PolarHBondContact O-OG 3.36Å
135	T	89.9	Confident	89.1	Confident	16 Å²	16	39.1 Å²	39.1	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-73.2	-38	-174.9	-47.8	0	0	0	0	112.1	A50 A51 F98 D132 V133 S139	A50-T135 HydrophobicContact CB-CG2 3.35Å; A51-T135 HydrophobicContact CB-CG2 4.15Å; F98-T135 HydrophobicContact CE1-CG2 3.61Å; F98-T135 HydrophobicContact CZ-CG2 3.63Å; D132-T135 PolarHBondContact O-N 2.56Å; V133-T135 VanDerWaalsContact C-N 3.3Å; V133-T135 PolarHBondContact O-N 3.05Å; T135-S139 WeakPolarHBondContact O-CB 3.18Å; T135-S139 PolarHBondContact O-N 3.13Å; T135-S139 PolarHBondContact O-OG 3.46Å
136	L	91.4	Very high	88.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-55.5	171.8	176.3	74.6	0	0	0	110.1	I76 V94 F95 F98 L128 D132 S138 S139 I140	I76-L136 HydrophobicContact CD1-CD2 4.06Å; V94-L136 HydrophobicContact CG1-CD1 3.95Å; F95-L136 HydrophobicContact CD1-CD1 4.17Å; F95-L136 HydrophobicContact CD1-CD2 4.24Å; F95-L136 HydrophobicContact CE1-CD2 4.16Å; F95-L136 HydrophobicContact CG-CD1 4.5Å; F98-L136 HydrophobicContact CB-CD1 4.03Å; F98-L136 HydrophobicContact CD2-CB 4.2Å; F98-L136 HydrophobicContact CD2-CD1 3.52Å; F98-L136 HydrophobicContact CD2-CG 4.49Å; F98-L136 HydrophobicContact CE2-CD1 4.34Å; F98-L136 HydrophobicContact CG-CB 4.27Å; F98-L136 HydrophobicContact CG-CD1 3.98Å; L128-L136 HydrophobicContact CD1-CB 3.87Å; L128-L136 HydrophobicContact CD1-CD2 3.54Å; L128-L136 HydrophobicContact CD1-CG 4.22Å; L128-L136 HydrophobicContact CD2-CD2 4.21Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 PolarHBondContact O-N 3.05Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 2.86Å; L136-S139 WeakPolarHBondContact O-CB 3.49Å; L136-S139 PolarHBondContact O-N 2.92Å; L136-I140 HydrophobicContact CD1-CD1 4.22Å; L136-I140 HydrophobicContact CD2-CD1 4.37Å; L136-I140 HydrophobicContact CG-CD1 3.92Å; L136-I140 WeakPolarHBondContact O-CG1 3.48Å; L136-I140 PolarHBondContact O-N 2.89Å
137	V	90.5	Very high	88.8	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-41.6	-178.1	172	0	0	0	0	110.8	I63 L74 V133 I140 K141 V147 T149	I63-V137 HydrophobicContact CD1-CB 4.05Å; I63-V137 HydrophobicContact CD1-CG1 4.19Å; I63-V137 HydrophobicContact CD1-CG2 4.16Å; I63-V137 HydrophobicContact CG2-CG2 4.21Å; L74-V137 HydrophobicContact CD2-CG2 3.88Å; V133-V137 WeakPolarHBondContact O-CG2 3.45Å; V133-V137 PolarHBondContact O-N 3.48Å; V133-V137 VanDerWaalsContact O-N 3.12Å; V137-I140 PolarHBondContact O-N 3.43Å; V137-K141 HydrophobicContact CG1-CD 4.43Å; V137-K141 WeakPolarHBondContact O-CG 3.34Å; V137-K141 PolarHBondContact O-N 3.03Å; V137-V147 HydrophobicContact CG1-CG1 4.11Å; V137-T149 HydrophobicContact CG2-CG2 4.47Å
138	S	89.4	Confident	88.6	Confident	25 Å²	25	40.3 Å²	40.3	18%	0.175	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-38.6	176.1	-60.6	0	0	0	0	112.6	A54 S134 L136 K141 R142	A54-S138 VanDerWaalsContact CB-OG 3.26Å; A54-S138 WeakPolarHBondContact CB-OG 3.41Å; S134-S138 WeakPolarHBondContact O-CB 3.12Å; S134-S138 PolarHBondContact O-N 2.71Å; S134-S138 PolarHBondContact O-OG 3.36Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 2.86Å; S138-K141 PolarHBondContact O-N 3.2Å; S138-R142 PolarHBondContact O-N 3.07Å
139	S	89.3	Confident	88.3	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-38.9	175.7	-60.5	0	0	0	0	112.1	A50 V94 T135 L136 R142	A50-S139 WeakPolarHBondContact CB-OG 3.38Å; V94-S139 VanDerWaalsContact CG1-CB 3.44Å; T135-S139 WeakPolarHBondContact O-CB 3.18Å; T135-S139 PolarHBondContact O-N 3.13Å; T135-S139 PolarHBondContact O-OG 3.46Å; L136-S139 WeakPolarHBondContact O-CB 3.49Å; L136-S139 PolarHBondContact O-N 2.92Å; S139-R142 WeakPolarHBondContact O-CB 3.47Å; S139-R142 PolarHBondContact O-N 3.41Å
140	I	88.9	Confident	88	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-43.2	173.5	-64.7	167.2	0	0	0	110.1	I76 F78 T91 V94 F95 L136 V137 R142 N143 A144 V147	I76-I140 HydrophobicContact CD1-CD1 3.93Å; F78-I140 HydrophobicContact CB-CG2 4.32Å; F78-I140 HydrophobicContact CD1-CG2 4.29Å; F78-I140 HydrophobicContact CG-CG2 4.18Å; T91-I140 HydrophobicContact CG2-CG2 4.5Å; V94-I140 HydrophobicContact CG1-CG1 4.21Å; F95-I140 HydrophobicContact CE1-CD1 3.96Å; F95-I140 HydrophobicContact CE2-CD1 4Å; F95-I140 HydrophobicContact CE2-CG1 4.39Å; F95-I140 HydrophobicContact CZ-CD1 3.48Å; F95-I140 VanDerWaalsContact CZ-CD1 3.48Å; F95-I140 HydrophobicContact CZ-CG1 4.35Å; L136-I140 HydrophobicContact CD1-CD1 4.22Å; L136-I140 HydrophobicContact CD2-CD1 4.37Å; L136-I140 HydrophobicContact CG-CD1 3.92Å; L136-I140 WeakPolarHBondContact O-CG1 3.48Å; L136-I140 PolarHBondContact O-N 2.89Å; V137-I140 PolarHBondContact O-N 3.43Å; I140-R142 PolarHBondContact O-N 2.65Å; I140-N143 PolarHBondContact O-N 2.97Å; I140-A144 HydrophobicContact CG2-CB 4.04Å; I140-A144 WeakPolarHBondContact O-CB 3.41Å; I140-A144 PolarHBondContact O-N 2.76Å; I140-V147 HydrophobicContact CG2-CG1 4.18Å; I140-V147 HydrophobicContact CG2-CG2 3.87Å
141	K	88.5	Confident	87.3	Confident	73 Å²	73	41.7 Å²	41.7	32%	0.317	22%	0.216	S	C	.	.	H	α-helix	trans	-58.3	-20.2	176.8	-76.4	179	173.8	-170	0	113.9	E61 R81 V137 S138 V147	E61-K141 IonicContact OE2-NZ 2.74Å; E61-K141 PolarHBondContact OE2-NZ 2.97Å; R81-K141 PolarHBondContact NH2-O 3.27Å; V137-K141 HydrophobicContact CG1-CD 4.43Å; V137-K141 WeakPolarHBondContact O-CG 3.34Å; V137-K141 PolarHBondContact O-N 3.03Å; S138-K141 PolarHBondContact O-N 3.2Å; K141-V147 HydrophobicContact CB-CG2 4.38Å; K141-V147 HydrophobicContact CG-CB 3.73Å; K141-V147 HydrophobicContact CG-CG1 4.26Å; K141-V147 HydrophobicContact CG-CG2 3.6Å
142	R	85.4	Confident	86.1	Confident	120 Å²	120	45 Å²	45	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-73.1	-35.2	173	-64.2	174.5	173.8	176.5	-6.2	112.7	A49 S138 S139 I140	A49-R142 PolarHBondContact O-NH2 2.94Å; S138-R142 PolarHBondContact O-N 3.07Å; S139-R142 WeakPolarHBondContact O-CB 3.47Å; S139-R142 PolarHBondContact O-N 3.41Å; I140-R142 PolarHBondContact O-N 2.65Å
143	N	81	Confident	85	Confident	63 Å²	63	45.3 Å²	45.3	34%	0.337	23%	0.226	S	C	.	.	H	α-helix	trans	-102.6	-18.5	-175.3	-64.5	-52.9	0	0	0	113.3	I140	I140-N143 PolarHBondContact O-N 2.97Å
144	A	85.9	Confident	83.8	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	172.5	-176.7	0	0	0	0	0	112	F78 T79 R81 I140 V147	F78-A144 HydrophobicContact CB-CB 3.94Å; F78-A144 HydrophobicContact CD2-CB 3.78Å; F78-A144 HydrophobicContact CG-CB 4.18Å; T79-A144 CarbonylContact O-C 3.58Å; T79-A144 WeakPolarHBondContact O-CA 3.31Å; T79-A144 WeakPolarHBondContact O-CB 3.19Å; R81-A144 PolarHBondContact NE-O 3.21Å; R81-A144 VanDerWaalsContact NE-O 3.11Å; R81-A144 PolarHBondContact NH2-O 2.98Å; I140-A144 HydrophobicContact CG2-CB 4.04Å; I140-A144 WeakPolarHBondContact O-CB 3.41Å; I140-A144 PolarHBondContact O-N 2.76Å; A144-V147 HydrophobicContact CB-CG2 4.15Å
145	E	86.1	Confident	83.1	Confident	50 Å²	50	55.1 Å²	55.1	23%	0.234	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	164.5	173.8	-80.8	166.2	-153.7	0	0	109.3	T79 R81 R114 V147	T79-E145 PolarHBondContact N-O 3.11Å; T79-E145 PolarHBondContact O-N 3.49Å; R81-E145 WeakPolarHBondContact CD-OE1 3.45Å; R81-E145 HydrophobicContact CG-CB 4.47Å; R81-E145 HydrophobicContact CG-CG 3.71Å; R81-E145 VanDerWaalsContact CG-OE1 3.31Å; R81-E145 WeakPolarHBondContact CG-OE1 3.34Å; R81-E145 IonicContact NE-OE1 3.26Å; R114-E145 IonicContact CZ-OE2 2.8Å; R114-E145 IonicContact NH1-OE2 3.41Å; R114-E145 PolarHBondContact NH1-OE2 3.31Å; R114-E145 IonicContact NH2-OE2 3.95Å; R114-E145 PolarHBondContact NH2-OE2 2.92Å; E145-V147 PolarHBondContact O-N 2.91Å; E145-V147 VanDerWaalsContact O-N 3.16Å
146	D	84.8	Confident	82.8	Confident	43 Å²	43	55.9 Å²	55.9	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.6	35	176	-68	-45	0	0	0	114	K112 R114 K148	K112-D146 IonicContact NZ-OD1 3.8Å; K112-D146 PolarHBondContact NZ-OD1 2.78Å; K112-D146 IonicContact NZ-OD2 3.93Å; K112-D146 PolarHBondContact NZ-OD2 3.37Å; R114-D146 IonicContact NH2-OD2 3.13Å; D146-K148 PolarHBondContact O-N 2.92Å
147	V	88.4	Confident	82.6	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	117.8	-180	-173.5	0	0	0	0	110.2	I76 F77 F78 V137 I140 K141 A144 E145	I76-V147 HydrophobicContact CG2-CG1 3.94Å; F77-V147 CarbonylContact O-C 3.58Å; F77-V147 VanDerWaalsContact O-CA 3.23Å; F77-V147 WeakPolarHBondContact O-CA 3.37Å; F78-V147 HydrophobicContact CB-CB 4.49Å; F78-V147 HydrophobicContact CB-CG2 3.95Å; V137-V147 HydrophobicContact CG1-CG1 4.11Å; I140-V147 HydrophobicContact CG2-CG1 4.18Å; I140-V147 HydrophobicContact CG2-CG2 3.87Å; K141-V147 HydrophobicContact CB-CG2 4.38Å; K141-V147 HydrophobicContact CG-CB 3.73Å; K141-V147 HydrophobicContact CG-CG1 4.26Å; K141-V147 HydrophobicContact CG-CG2 3.6Å; A144-V147 HydrophobicContact CB-CG2 4.15Å; E145-V147 PolarHBondContact O-N 2.91Å; E145-V147 VanDerWaalsContact O-N 3.16Å
148	K	89.1	Confident	82.6	Confident	96 Å²	96	58.2 Å²	58.2	42%	0.417	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.6	-178.2	-63.9	173.9	-168.5	172.1	0	111.1	I76 F77 D146	I76-K148 CarbonylContact C-O 3.57Å; I76-K148 WeakPolarHBondContact CA-O 3.29Å; F77-K148 HydrophobicContact CB-CB 4.42Å; F77-K148 PolarHBondContact N-O 3.47Å; F77-K148 PolarHBondContact O-N 3.22Å; D146-K148 PolarHBondContact O-N 2.92Å
149	T	88.2	Confident	82.7	Confident	28 Å²	28	57.1 Å²	57.1	17%	0.172	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.6	175.7	55	0	0	0	0	111.8	I63 V64 L74 N75 I76 V137	I63-T149 HydrophobicContact CG2-CG2 4.08Å; V64-T149 PolarHBondContact N-OG1 2.68Å; V64-T149 WeakPolarHBondContact O-CB 3.45Å; L74-T149 HydrophobicContact CD2-CG2 4.31Å; N75-T149 VanDerWaalsContact O-CA 3.23Å; N75-T149 WeakPolarHBondContact O-CA 3.36Å; I76-T149 HydrophobicContact CG1-CG2 4.16Å; V137-T149 HydrophobicContact CG2-CG2 4.47Å
150	T	84.7	Confident	82.8	Confident	45 Å²	45	62.1 Å²	62.1	28%	0.276	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.8	-178.4	-175.7	0	0	0	0	112	N75 F77 E152 V153	N75-T150 HydrophobicContact CB-CG2 3.78Å; N75-T150 WeakPolarHBondContact CB-O 3.37Å; N75-T150 PolarHBondContact ND2-O 3.33Å; N75-T150 VanDerWaalsContact ND2-O 3.15Å; N75-T150 PolarHBondContact O-N 3.11Å; F77-T150 HydrophobicContact CD2-CG2 4.27Å; F77-T150 HydrophobicContact CE2-CG2 3.66Å; T150-E152 PolarHBondContact OG1-N 3.3Å; T150-V153 HydrophobicContact CG2-CG2 4.24Å
151	K	73.8	Confident	83	Confident	122 Å²	122	68.4 Å²	68.4	53%	0.53	31%	0.312	S	S	.	.	S	Bend	trans	-82.1	-43.6	170.6	-61.4	-162.1	173.2	-174.9	0	112.2	V64 N75	V64-K151 HydrophobicContact CG1-CB 4.29Å; V64-K151 HydrophobicContact CG1-CD 4.06Å; V64-K151 HydrophobicContact CG1-CG 3.18Å; N75-K151 PolarHBondContact ND2-O 3.48Å; N75-K151 VanDerWaalsContact ND2-O 3.13Å
152	E	64.1	Low	83.4	Confident	146 Å²	146	65.6 Å²	65.6	68%	0.682	30%	0.3	S	S	*	.			trans	-108.7	132.3	-169.2	-72.6	-174.9	176.4	0	0	113.5	T150	T150-E152 PolarHBondContact OG1-N 3.3Å
153	V	66.4	Low	83.7	Confident	37 Å²	37	62 Å²	62	22%	0.224	30%	0.296	C	S	.	.			trans	-127.2	111.4	159.7	-178.7	0	0	0	0	107.2	F77 F123 T150 F155	F77-V153 HydrophobicContact CZ-CG2 4.37Å; F123-V153 HydrophobicContact CE1-CG1 4.25Å; F123-V153 HydrophobicContact CE1-CG2 4.16Å; F123-V153 HydrophobicContact CE2-CG2 3.98Å; F123-V153 HydrophobicContact CZ-CB 4.37Å; F123-V153 HydrophobicContact CZ-CG1 4.49Å; F123-V153 HydrophobicContact CZ-CG2 3.59Å; T150-V153 HydrophobicContact CG2-CG2 4.24Å; V153-F155 VanDerWaalsContact C-N 3.34Å; V153-F155 WeakPolarHBondContact CG1-O 3.41Å; V153-F155 PolarHBondContact O-N 2.91Å
154	K	65.8	Low	84.2	Confident	182 Å²	182	60.3 Å²	60.3	79%	0.791	29%	0.287	S	S	*	.			trans	-65	-33.5	-171.4	-70	-173.1	176.6	-175.1	0	113.9
155	F	72.8	Confident	84.4	Confident	90 Å²	90	60.3 Å²	60.3	40%	0.395	29%	0.287	S	S	.	.	S	Bend	trans	-164	158.4	175.5	56.4	-86.9	0	0	0	109.2	V153 F158 F447	V153-F155 VanDerWaalsContact C-N 3.34Å; V153-F155 WeakPolarHBondContact CG1-O 3.41Å; V153-F155 PolarHBondContact O-N 2.91Å; F155-F158 HydrophobicContact CD2-CE1 4.2Å; F155-F158 AromaticContact CE2-CE1 3.97Å; F155-F158 HydrophobicContact CE2-CE1 3.97Å; F155-F447 HydrophobicContact CB-CE1 4.29Å; F155-F447 HydrophobicContact CD1-CE1 4.03Å; F155-F447 AromaticContact CD2-CE1 3.81Å; F155-F447 HydrophobicContact CD2-CE1 3.81Å; F155-F447 AromaticContact CD2-CZ 3.91Å; F155-F447 HydrophobicContact CD2-CZ 3.91Å; F155-F447 HydrophobicContact CE1-CE1 4.31Å; F155-F447 HydrophobicContact CE2-CE1 4.11Å; F155-F447 HydrophobicContact CE2-CZ 4.3Å; F155-F447 AromaticContact CG-CE1 3.79Å; F155-F447 HydrophobicContact CG-CE1 3.79Å; F155-F447 HydrophobicContact CG-CZ 4.25Å; F155-F447 HydrophobicContact CZ-CE1 4.35Å
156	H	84.4	Confident	84.5	Confident	32 Å²	32	58.8 Å²	58.8	15%	0.148	28%	0.28	C	S	.	.			trans	-66	138.7	176	-61.7	-71.3	0	0	0	110.9	H104 A350 D352	H104-H156 AromaticContact CD2-ND1 3.57Å; H104-H156 AromaticContact CE1-CE1 3.58Å; H104-H156 AromaticContact CE1-CG 3.65Å; H104-H156 AromaticContact CE1-ND1 2.94Å; H104-H156 PolarHBondContact CE1-ND1 3.02Å; H104-H156 AromaticContact CG-CE1 3.63Å; H104-H156 AromaticContact CG-ND1 3.6Å; H104-H156 AromaticContact ND1-CE1 3.35Å; H104-H156 PolarHBondContact ND1-CE1 2.94Å; H104-H156 VanDerWaalsContact ND1-CE1 3.35Å; H104-H156 AromaticContact ND1-ND1 3.23Å; H104-H156 PolarHBondContact ND1-ND1 3.2Å; H104-H156 AromaticContact NE2-CE1 3.92Å; H104-H156 AromaticContact NE2-ND1 3.1Å; H104-H156 PolarHBondContact NE2-ND1 3.41Å; H104-H156 VanDerWaalsContact NE2-ND1 3.1Å; H156-A350 PolarHBondContact CD2-O 3.36Å; H156-A350 VanDerWaalsContact CD2-O 3.31Å; H156-D352 IonicContact CE1-OD2 3.87Å; H156-D352 PolarHBondContact CE1-OD2 2.95Å; H156-D352 IonicContact NE2-OD2 3.41Å
157	W	87.3	Confident	84.2	Confident	46 Å²	46	59 Å²	59	17%	0.174	28%	0.278	C	S	.	.			trans	-67.5	154.9	-179.9	176.4	92.4	0	0	0	110.3	E106 T107 R108 P109 P159	E106-W157 VanDerWaalsContact OE1-CB 3.29Å; E106-W157 WeakPolarHBondContact OE1-CB 3.41Å; E106-W157 PolarHBondContact OE1-N 3.18Å; E106-W157 WeakPolarHBondContact OE2-CB 3.46Å; E106-W157 PolarHBondContact OE2-N 3Å; T107-W157 VanDerWaalsContact O-CZ3 3.26Å; T107-W157 WeakPolarHBondContact O-CZ3 3.42Å; R108-W157 HydrophobicContact CG-CB 4.03Å; R108-W157 HydrophobicContact CG-CD2 4.14Å; R108-W157 HydrophobicContact CG-CG 3.83Å; P109-W157 HydrophobicContact CG-CZ2 4.42Å; W157-P159 HydrophobicContact CH2-CB 4.07Å
158	F	90.6	Very high	83.8	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.035	28%	0.276	C	S	.	.			trans	-149.5	151.4	170.7	58.6	-86.6	0	0	0	109.7	F155 L348 F447 V449 V458 V460	F155-F158 HydrophobicContact CD2-CE1 4.2Å; F155-F158 AromaticContact CE2-CE1 3.97Å; F155-F158 HydrophobicContact CE2-CE1 3.97Å; F158-L348 HydrophobicContact CB-CB 4.31Å; F158-L348 HydrophobicContact CB-CD2 4.05Å; F158-L348 HydrophobicContact CD2-CB 3.89Å; F158-L348 HydrophobicContact CD2-CD1 4.15Å; F158-L348 HydrophobicContact CD2-CD2 4.28Å; F158-L348 HydrophobicContact CD2-CG 4.32Å; F158-L348 HydrophobicContact CE2-CB 4.31Å; F158-L348 HydrophobicContact CE2-CD1 4.48Å; F158-L348 HydrophobicContact CG-CB 3.99Å; F158-L348 HydrophobicContact CG-CD2 4.46Å; F158-F447 AromaticContact CE1-CE2 3.88Å; F158-F447 HydrophobicContact CE1-CE2 3.88Å; F158-F447 AromaticContact CE1-CZ 3.63Å; F158-F447 HydrophobicContact CE1-CZ 3.63Å; F158-F447 HydrophobicContact CZ-CE2 4.02Å; F158-F447 HydrophobicContact CZ-CZ 4.17Å; F158-V449 HydrophobicContact CE2-CG1 4.43Å; F158-V449 HydrophobicContact CZ-CG1 4.3Å; F158-V458 HydrophobicContact CE2-CG1 4.09Å; F158-V460 HydrophobicContact CE2-CG2 4.16Å; F158-V460 HydrophobicContact CZ-CG2 3.71Å
159	P	92	Very high	82.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.013	26%	0.257	C	S	.	.			trans	-58.4	141.4	175.1	23.8	-33.8	0	0	0	109.8	W157 D164 L165 A293 Y297	W157-P159 HydrophobicContact CH2-CB 4.07Å; P159-D164 HydrophobicContact CB-CB 3.61Å; P159-L165 HydrophobicContact CB-CD2 4.21Å; P159-L165 HydrophobicContact CG-CD2 3.83Å; P159-A293 HydrophobicContact CG-CB 4.17Å; P159-Y297 HydrophobicContact CB-CE2 4.22Å; P159-Y297 HydrophobicContact CG-CE2 3.88Å; P159-Y297 PolarHBondContact O-OH 2.97Å
160	K	91.3	Very high	81.7	Confident	114 Å²	114	54.9 Å²	54.9	50%	0.496	26%	0.257	S	S	.	.	S	Bend	trans	-106.3	-25.7	178.8	-69	-175.5	178.5	-178.9	0	112.8	D164 Y297 S457 V458	K160-D164 PolarHBondContact N-OD2 2.86Å; K160-Y297 VanDerWaalsContact CA-OH 3.24Å; K160-Y297 WeakPolarHBondContact CA-OH 3.06Å; K160-Y297 PolarHBondContact N-OH 3.05Å; K160-Y297 PolarHBondContact O-OH 2.9Å; K160-S457 CarbonylContact O-C 3.56Å; K160-S457 WeakPolarHBondContact O-CA 3.43Å; K160-S457 WeakPolarHBondContact O-CB 3.4Å; K160-V458 PolarHBondContact O-N 3.47Å
161	K	93.3	Very high	80.8	Confident	132 Å²	132	53 Å²	53	57%	0.574	25%	0.246	S	C	*	.	B	Isolated β-bridge	trans	-121.2	152.5	174.3	-62.9	-177.6	179	-176.2	0	109.1	A163 D164	K161-A163 PolarHBondContact O-N 3.48Å; K161-A163 VanDerWaalsContact O-N 3.13Å; K161-D164 PolarHBondContact N-OD2 2.96Å; K161-D164 VanDerWaalsContact O-CB 3.26Å; K161-D164 WeakPolarHBondContact O-CB 3.01Å; K161-D164 PolarHBondContact O-N 3.29Å
162	I	95.3	Very high	80.3	Confident	14 Å²	14	49.1 Å²	49.1	7%	0.072	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-55.4	-33.2	176.8	-166.1	162.1	0	0	0	113.4	D164 L165 H207 Y297 V299 C456	I162-D164 VanDerWaalsContact C-N 3.26Å; I162-D164 PolarHBondContact O-N 3.44Å; I162-L165 HydrophobicContact CG1-CD1 4.3Å; I162-L165 WeakPolarHBondContact O-CB 3.39Å; I162-L165 WeakPolarHBondContact O-CG 3.34Å; I162-L165 PolarHBondContact O-N 3Å; I162-H207 WeakPolarHBondContact CG2-NE2 3.46Å; I162-Y297 HydrophobicContact CB-CD1 3.76Å; I162-Y297 HydrophobicContact CB-CE1 4.45Å; I162-Y297 HydrophobicContact CB-CG 4.37Å; I162-Y297 HydrophobicContact CG1-CD1 4.2Å; I162-Y297 HydrophobicContact CG1-CG 4.36Å; I162-V299 HydrophobicContact CD1-CG2 3.76Å; I162-V299 HydrophobicContact CG1-CG2 3.91Å; I162-C456 HydrophobicContact CB-CB 4.08Å; I162-C456 HydrophobicContact CD1-CB 4.44Å; I162-C456 HydrophobicContact CG2-CB 3.61Å; I162-C456 PolarHBondContact N-O 3.16Å
163	A	92.4	Very high	80	Confident	43 Å²	43	46.4 Å²	46.4	36%	0.355	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-67.9	-22.7	176.1	0	0	0	0	0	113.2	K161 L165 D166 H207	K161-A163 PolarHBondContact O-N 3.48Å; K161-A163 VanDerWaalsContact O-N 3.13Å; A163-L165 PolarHBondContact O-N 2.88Å; A163-D166 WeakPolarHBondContact O-CB 3.28Å; A163-D166 PolarHBondContact O-N 3.48Å; A163-D166 VanDerWaalsContact O-N 3.11Å; A163-H207 HydrophobicContact CB-CB 4.36Å
164	D	90.6	Very high	79.6	Confident	29 Å²	29	49.1 Å²	49.1	16%	0.155	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-67.1	-16.1	176.5	-64.4	-38.9	0	0	0	112	P159 K160 K161 I162 D166 R167	P159-D164 HydrophobicContact CB-CB 3.61Å; K160-D164 PolarHBondContact N-OD2 2.86Å; K161-D164 PolarHBondContact N-OD2 2.96Å; K161-D164 VanDerWaalsContact O-CB 3.26Å; K161-D164 WeakPolarHBondContact O-CB 3.01Å; K161-D164 PolarHBondContact O-N 3.29Å; I162-D164 VanDerWaalsContact C-N 3.26Å; I162-D164 PolarHBondContact O-N 3.44Å; D164-D166 PolarHBondContact O-N 3.03Å; D164-R167 WeakPolarHBondContact O-CB 3.24Å; D164-R167 PolarHBondContact O-N 2.79Å; D164-R167 IonicContact OD1-CZ 2.65Å; D164-R167 IonicContact OD1-NH1 3.11Å; D164-R167 PolarHBondContact OD1-NH1 3.34Å
165	L	91.3	Very high	79.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-62.5	-17.3	172	-61.6	178.1	0	0	0	112.8	P159 I162 A163 R167 C168 Y297 V299	P159-L165 HydrophobicContact CB-CD2 4.21Å; P159-L165 HydrophobicContact CG-CD2 3.83Å; I162-L165 HydrophobicContact CG1-CD1 4.3Å; I162-L165 WeakPolarHBondContact O-CB 3.39Å; I162-L165 WeakPolarHBondContact O-CG 3.34Å; I162-L165 PolarHBondContact O-N 3Å; A163-L165 PolarHBondContact O-N 2.88Å; L165-R167 PolarHBondContact O-N 3.1Å; L165-C168 HydrophobicContact CD2-CB 4.36Å; L165-C168 PolarHBondContact O-N 3.36Å; L165-C168 VanDerWaalsContact O-N 3.08Å; L165-Y297 HydrophobicContact CD1-CD2 4.25Å; L165-Y297 HydrophobicContact CD1-CG 4.29Å; L165-Y297 HydrophobicContact CD2-CD2 4.25Å; L165-Y297 HydrophobicContact CG-CD2 4.45Å; L165-V299 HydrophobicContact CD1-CB 3.74Å; L165-V299 HydrophobicContact CD1-CG1 4Å; L165-V299 HydrophobicContact CD1-CG2 3.68Å
166	D	87.2	Confident	78.5	Confident	18 Å²	18	38.9 Å²	38.9	10%	0.096	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.5	-6.8	167.5	-73.3	-16	0	0	0	113.6	A163 D164 H169 K206 H207 R280	A163-D166 WeakPolarHBondContact O-CB 3.28Å; A163-D166 PolarHBondContact O-N 3.48Å; A163-D166 VanDerWaalsContact O-N 3.11Å; D164-D166 PolarHBondContact O-N 3.03Å; D166-H169 PolarHBondContact O-CD2 3.41Å; D166-H169 PolarHBondContact O-NE2 2.9Å; D166-K206 HydrophobicContact CB-CD 3.99Å; D166-K206 WeakPolarHBondContact OD1-CA 3.14Å; D166-K206 WeakPolarHBondContact OD2-CD 3.48Å; D166-H207 PolarHBondContact OD1-N 2.86Å; D166-H207 PolarHBondContact OD2-N 2.96Å; D166-R280 IonicContact OD1-CZ 3.46Å; D166-R280 IonicContact OD1-NH1 2.89Å; D166-R280 PolarHBondContact OD1-NH1 3.16Å; D166-R280 IonicContact OD1-NH2 2.65Å; D166-R280 PolarHBondContact OD1-NH2 2.77Å
167	R	79.9	Confident	77	Confident	46 Å²	46	40 Å²	40	17%	0.174	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-112.7	-11.7	178	-53.1	-177.2	-178.1	124	4	112.9	T107 P109 L120 D164 L165	T107-R167 PolarHBondContact OG1-O 2.67Å; P109-R167 VanDerWaalsContact CG-NH1 3.34Å; L120-R167 HydrophobicContact CD2-CB 3.65Å; L120-R167 HydrophobicContact CD2-CG 3.74Å; D164-R167 WeakPolarHBondContact O-CB 3.24Å; D164-R167 PolarHBondContact O-N 2.79Å; D164-R167 IonicContact OD1-CZ 2.65Å; D164-R167 IonicContact OD1-NH1 3.11Å; D164-R167 PolarHBondContact OD1-NH1 3.34Å; L165-R167 PolarHBondContact O-N 3.1Å
168	C	78.9	Confident	76	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-97.5	22.9	-177.3	-64.4	0	0	0	0	112.9	L165 D290	L165-C168 HydrophobicContact CD2-CB 4.36Å; L165-C168 PolarHBondContact O-N 3.36Å; L165-C168 VanDerWaalsContact O-N 3.08Å; C168-D290 HydrophobicContact CB-CB 4.1Å; C168-D290 WeakPolarHBondContact O-CB 3.36Å
169	H	68.9	Low	75.2	Confident	7 Å²	7	42.6 Å²	42.6	3%	0.032	22%	0.219	C	C	.	.	S	Bend	trans	-118.9	3.7	-177.7	76.1	87.5	0	0	0	114	D166	D166-H169 PolarHBondContact O-CD2 3.41Å; D166-H169 PolarHBondContact O-NE2 2.9Å
170	H	63.8	Low	74.4	Confident	38 Å²	38	46.4 Å²	46.4	18%	0.176	24%	0.239	C	C	.	.	S	Bend	trans	-96.4	-15.9	-174.5	-65.1	-70.6	0	0	0	113.8	L120 V172	L120-H170 WeakPolarHBondContact CD1-CD2 3.37Å; L120-H170 WeakPolarHBondContact CD1-NE2 3.46Å; H170-V172 PolarHBondContact O-N 3.5Å; H170-V172 VanDerWaalsContact O-N 3.14Å
171	L	67.2	Low	73.8	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.037	25%	0.251	C	S	.	.			trans	-88.6	65.1	176.2	-60.2	-175.6	0	0	0	110	L88 L105 T107 Y122 T173 L286 S287 D290	L88-L171 HydrophobicContact CD2-CD2 3.86Å; L105-L171 HydrophobicContact CD1-CD2 4.24Å; L105-L171 HydrophobicContact CD2-CD1 4.44Å; L105-L171 HydrophobicContact CD2-CD2 3.77Å; L105-L171 HydrophobicContact CG-CD1 3.95Å; L105-L171 HydrophobicContact CG-CD2 3.88Å; T107-L171 HydrophobicContact CG2-CD1 4.35Å; T107-L171 HydrophobicContact CG2-CD2 4.09Å; T107-L171 HydrophobicContact CG2-CG 4.07Å; Y122-L171 HydrophobicContact CD1-CD2 4.44Å; Y122-L171 HydrophobicContact CE1-CD2 4.13Å; L171-T173 PolarHBondContact O-N 3.03Å; L171-L286 CarbonylContact O-C 3.02Å; L171-L286 WeakPolarHBondContact O-CA 3.16Å; L171-S287 PolarHBondContact O-N 2.81Å; L171-D290 WeakPolarHBondContact CD1-OD2 3.48Å
172	V	63.2	Low	73.3	Confident	39 Å²	39	48.8 Å²	48.8	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.5	172.9	-177.6	0	0	0	0	108	H170 K174 D176 L285 L286	H170-V172 PolarHBondContact O-N 3.5Å; H170-V172 VanDerWaalsContact O-N 3.14Å; V172-K174 VanDerWaalsContact CG1-O 3.27Å; V172-K174 WeakPolarHBondContact CG1-O 3.27Å; V172-D176 HydrophobicContact CG1-CB 4.2Å; V172-L285 CarbonylContact C-O 3.54Å; V172-L285 VanDerWaalsContact CA-O 3.23Å; V172-L285 WeakPolarHBondContact CA-O 2.96Å; V172-L286 HydrophobicContact CG2-CD2 4.22Å
173	T	57.7	Low	72.8	Confident	89 Å²	89	48.6 Å²	48.6	55%	0.546	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-25.8	-172.5	56	0	0	0	0	112.9	L171 L285 L286	L171-T173 PolarHBondContact O-N 3.03Å; T173-L285 PolarHBondContact N-O 3.48Å; T173-L285 PolarHBondContact OG1-O 2.77Å; T173-L286 PolarHBondContact OG1-O 3.13Å
174	K	57.7	Low	72.6	Confident	94 Å²	94	48.9 Å²	48.9	41%	0.409	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.5	174.1	-61.9	-176	179.3	178.4	0	111.4	V172 L285 D416	V172-K174 VanDerWaalsContact CG1-O 3.27Å; V172-K174 WeakPolarHBondContact CG1-O 3.27Å; K174-L285 HydrophobicContact CB-CD1 4.26Å; K174-L285 HydrophobicContact CD-CD1 4.37Å; K174-L285 PolarHBondContact O-N 3.16Å; K174-D416 IonicContact NZ-OD2 3.79Å
175	F	57.5	Low	72.5	Confident	19 Å²	19	47.5 Å²	47.5	8%	0.083	25%	0.248	C	C	.	.			trans	72.6	42.9	162.5	-48.9	-63	0	0	0	118.9	D180 R195 L285 E317	F175-D180 HydrophobicContact CE1-CB 4.39Å; F175-D180 WeakPolarHBondContact CE1-OD2 3.36Å; F175-R195 PolarHBondContact O-NH2 3.17Å; F175-L285 HydrophobicContact CD2-CD1 3.98Å; F175-L285 HydrophobicContact CD2-CG 4.45Å; F175-L285 HydrophobicContact CE2-CD1 3.99Å; F175-E317 HydrophobicContact CB-CG 4.3Å; F175-E317 HydrophobicContact CD1-CG 3.94Å; F175-E317 WeakPolarHBondContact CD1-OE1 3.38Å; F175-E317 HydrophobicContact CD2-CG 3.65Å; F175-E317 HydrophobicContact CE1-CG 4.1Å; F175-E317 HydrophobicContact CE2-CG 3.83Å; F175-E317 VanDerWaalsContact CG-CD 3.46Å; F175-E317 HydrophobicContact CG-CG 3.7Å; F175-E317 VanDerWaalsContact CG-OE1 3.24Å; F175-E317 WeakPolarHBondContact CG-OE1 3.34Å; F175-E317 HydrophobicContact CZ-CG 4.05Å
176	D	57.1	Low	72.4	Confident	38 Å²	38	51 Å²	51	20%	0.203	26%	0.262	C	S	.	.	S	Bend	trans	-153.5	134.2	165.7	-173.2	52.9	0	0	0	115.8	V172 F203	V172-D176 HydrophobicContact CG1-CB 4.2Å; D176-F203 WeakPolarHBondContact OD2-CE2 3.36Å; D176-F203 WeakPolarHBondContact OD2-CZ 3.26Å
177	P	53.9	Low	72.5	Confident	55 Å²	55	61 Å²	61	36%	0.357	30%	0.298	S	S	.	.	S	Bend	cis	-78	1.5	-25	36.7	-35.9	0	0	0	111.7
178	D	65.4	Low	73.2	Confident	101 Å²	101	61.1 Å²	61.1	54%	0.54	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-84.1	131.9	-177.3	-67.4	-40.8	0	0	0	109.8	R192	D178-R192 IonicContact OD1-NH2 3.55Å; D178-R192 PolarHBondContact OD1-NH2 3.31Å
179	L	73.8	Confident	73.9	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.042	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-98.1	151.5	176.6	-56.2	170.4	0	0	0	108	H183 Y186 Y191 R192 E317	L179-H183 HydrophobicContact CB-CB 3.88Å; L179-Y186 HydrophobicContact CB-CD2 4.37Å; L179-Y186 VanDerWaalsContact O-CD2 3.25Å; L179-Y186 WeakPolarHBondContact O-CD2 3.16Å; L179-Y186 WeakPolarHBondContact O-CE2 3.38Å; L179-Y191 HydrophobicContact CD1-CD1 3.96Å; L179-Y191 HydrophobicContact CD1-CE1 3.97Å; L179-R192 HydrophobicContact CD1-CG 3.98Å; L179-E317 WeakPolarHBondContact CD2-OE1 3.45Å
180	D	76.4	Confident	75.2	Confident	82 Å²	82	68.7 Å²	68.7	44%	0.439	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63.7	153.6	172.5	-70.8	-24.5	0	0	0	110.8	F175 D182 H183 Y186	F175-D180 HydrophobicContact CE1-CB 4.39Å; F175-D180 WeakPolarHBondContact CE1-OD2 3.36Å; D180-D182 WeakPolarHBondContact CB-OD1 3.46Å; D180-D182 PolarHBondContact O-N 3.46Å; D180-D182 VanDerWaalsContact O-N 3.16Å; D180-H183 VanDerWaalsContact O-CB 3.22Å; D180-H183 WeakPolarHBondContact O-CB 3.39Å; D180-H183 PolarHBondContact O-N 3.11Å; D180-Y186 WeakPolarHBondContact O-CB 3.38Å; D180-Y186 WeakPolarHBondContact O-CD2 3.39Å
181	E	78.6	Confident	76.6	Confident	157 Å²	157	68 Å²	68	73%	0.734	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.4	-173.7	-67.4	-165.4	157.7	0	0	113.6	Y186	E181-Y186 HydrophobicContact CB-CD1 4.49Å; E181-Y186 HydrophobicContact CB-CE1 4.31Å; E181-Y186 HydrophobicContact CG-CE1 4.1Å; E181-Y186 HydrophobicContact CG-CE2 4.33Å
182	D	81.8	Confident	77.8	Confident	140 Å²	140	72.1 Å²	72.1	75%	0.749	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.6	177.5	62	-19.3	0	0	0	113.3	D180	D180-D182 WeakPolarHBondContact CB-OD1 3.46Å; D180-D182 PolarHBondContact O-N 3.46Å; D180-D182 VanDerWaalsContact O-N 3.16Å
183	H	85.3	Confident	79.2	Confident	9 Å²	9	77.3 Å²	77.3	4%	0.042	39%	0.391	C	S	.	.	S	Bend	trans	-62.5	133	175.6	-175	-72.3	0	0	0	110.1	L179 D180 G185 Y186 Y191 E317	L179-H183 HydrophobicContact CB-CB 3.88Å; D180-H183 VanDerWaalsContact O-CB 3.22Å; D180-H183 WeakPolarHBondContact O-CB 3.39Å; D180-H183 PolarHBondContact O-N 3.11Å; H183-G185 PolarHBondContact ND1-N 3.26Å; H183-G185 PolarHBondContact O-N 3.39Å; H183-G185 VanDerWaalsContact O-N 3.08Å; H183-Y186 VanDerWaalsContact O-CB 3.23Å; H183-Y186 WeakPolarHBondContact O-CB 3.37Å; H183-Y186 PolarHBondContact O-N 3.18Å; H183-Y191 AromaticContact CE1-CE1 3.55Å; H183-E317 IonicContact CD2-OE1 3.89Å; H183-E317 PolarHBondContact CD2-OE1 3.1Å; H183-E317 IonicContact NE2-OE1 3.16Å
184	P	88	Confident	81	Confident	49 Å²	49	75.7 Å²	75.7	32%	0.318	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32	-174.1	20.1	-32.8	0	0	0	113.8	H308	P184-H308 HydrophobicContact CB-CB 4.17Å; P184-H308 HydrophobicContact CG-CB 3.97Å
185	G	89.4	Confident	82.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	1.4	174.6	0	0	0	0	0	116.5	H183 R187 D188	H183-G185 PolarHBondContact ND1-N 3.26Å; H183-G185 PolarHBondContact O-N 3.39Å; H183-G185 VanDerWaalsContact O-N 3.08Å; G185-R187 VanDerWaalsContact C-N 3.29Å; G185-R187 PolarHBondContact O-N 3.19Å; G185-D188 PolarHBondContact O-N 2.85Å; G185-D188 VanDerWaalsContact O-N 3.11Å
186	Y	87.9	Confident	84.2	Confident	76 Å²	76	76.2 Å²	76.2	30%	0.298	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-39.7	-175.3	178	-108.8	0	0	0	113	L179 D180 E181 H183 R192	L179-Y186 HydrophobicContact CB-CD2 4.37Å; L179-Y186 VanDerWaalsContact O-CD2 3.25Å; L179-Y186 WeakPolarHBondContact O-CD2 3.16Å; L179-Y186 WeakPolarHBondContact O-CE2 3.38Å; D180-Y186 WeakPolarHBondContact O-CB 3.38Å; D180-Y186 WeakPolarHBondContact O-CD2 3.39Å; E181-Y186 HydrophobicContact CB-CD1 4.49Å; E181-Y186 HydrophobicContact CB-CE1 4.31Å; E181-Y186 HydrophobicContact CG-CE1 4.1Å; E181-Y186 HydrophobicContact CG-CE2 4.33Å; H183-Y186 VanDerWaalsContact O-CB 3.23Å; H183-Y186 WeakPolarHBondContact O-CB 3.37Å; H183-Y186 PolarHBondContact O-N 3.18Å; Y186-R192 WeakPolarHBondContact O-CD 3.26Å
187	R	91.1	Very high	85.9	Confident	226 Å²	226	78.9 Å²	78.9	85%	0.853	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	2.6	180	-61	-172.9	-179.5	-179.2	1.7	113.6	G185 P189	G185-R187 VanDerWaalsContact C-N 3.29Å; G185-R187 PolarHBondContact O-N 3.19Å; R187-P189 WeakPolarHBondContact O-CD 3.49Å
188	D	93.6	Very high	87.8	Confident	49 Å²	49	76.6 Å²	76.6	26%	0.262	38%	0.375	S	S	.	.			trans	-97	105.5	178.2	-171.9	-32.2	0	0	0	110	G185 A190 Y191 R192 H308	G185-D188 PolarHBondContact O-N 2.85Å; G185-D188 VanDerWaalsContact O-N 3.11Å; D188-A190 VanDerWaalsContact C-N 3.31Å; D188-A190 PolarHBondContact O-N 3.15Å; D188-A190 WeakPolarHBondContact OD1-CA 3.32Å; D188-A190 WeakPolarHBondContact OD1-CB 3.26Å; D188-A190 PolarHBondContact OD1-N 2.83Å; D188-Y191 PolarHBondContact OD1-N 2.7Å; D188-R192 WeakPolarHBondContact O-CG 3.45Å; D188-R192 PolarHBondContact O-N 2.84Å; D188-R192 VanDerWaalsContact O-N 3.13Å; D188-H308 IonicContact OD2-NE2 3.08Å; D188-H308 PolarHBondContact OD2-NE2 3.23Å
189	P	93.8	Very high	88.9	Confident	101 Å²	101	71.9 Å²	71.9	66%	0.656	35%	0.351	S	S	*	.	H	α-helix	trans	-66.5	-32.1	-179.9	27.7	-34	0	0	0	112.9	R187 E193	R187-P189 WeakPolarHBondContact O-CD 3.49Å; P189-E193 WeakPolarHBondContact O-CB 3.27Å; P189-E193 PolarHBondContact O-N 3.49Å
190	A	95.6	Very high	89.6	Confident	65 Å²	65	75.4 Å²	75.4	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-71.2	-42.6	-179.7	0	0	0	0	0	110.6	D188 R192 E193 R194	D188-A190 VanDerWaalsContact C-N 3.31Å; D188-A190 PolarHBondContact O-N 3.15Å; D188-A190 WeakPolarHBondContact OD1-CA 3.32Å; D188-A190 WeakPolarHBondContact OD1-CB 3.26Å; D188-A190 PolarHBondContact OD1-N 2.83Å; A190-R192 PolarHBondContact O-N 3.46Å; A190-E193 PolarHBondContact O-N 3.39Å; A190-R194 VanDerWaalsContact O-CB 3.3Å; A190-R194 WeakPolarHBondContact O-CB 3.23Å; A190-R194 PolarHBondContact O-N 3.16Å
191	Y	94.6	Very high	90.3	Very high	24 Å²	24	72.6 Å²	72.6	9%	0.094	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-41.7	174.4	-174.9	-99.7	0	0	0	112	L179 H183 D188 R194 R195 I306 H308	L179-Y191 HydrophobicContact CD1-CD1 3.96Å; L179-Y191 HydrophobicContact CD1-CE1 3.97Å; H183-Y191 AromaticContact CE1-CE1 3.55Å; D188-Y191 PolarHBondContact OD1-N 2.7Å; Y191-R194 WeakPolarHBondContact O-CB 3.49Å; Y191-R194 PolarHBondContact O-N 3.35Å; Y191-R195 HydrophobicContact CD1-CG 4.03Å; Y191-R195 HydrophobicContact CE1-CG 3.7Å; Y191-R195 WeakPolarHBondContact O-CB 3.33Å; Y191-R195 WeakPolarHBondContact O-CG 3.37Å; Y191-R195 PolarHBondContact O-N 2.84Å; Y191-I306 WeakPolarHBondContact CE2-O 3.2Å; Y191-I306 PolarHBondContact OH-O 3.24Å; Y191-I306 VanDerWaalsContact OH-O 3.07Å; Y191-H308 HydrophobicContact CD2-CB 4.46Å; Y191-H308 AromaticContact CD2-CD2 3.69Å; Y191-H308 HydrophobicContact CE2-CB 4.07Å; Y191-H308 AromaticContact CG-CD2 3.68Å
192	R	91.4	Very high	90.8	Very high	93 Å²	93	65.3 Å²	65.3	35%	0.351	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-42.4	176.3	-71.5	179.4	69.2	-171.4	5.4	112.7	D178 L179 Y186 D188 A190 R194 R195 K196	D178-R192 IonicContact OD1-NH2 3.55Å; D178-R192 PolarHBondContact OD1-NH2 3.31Å; L179-R192 HydrophobicContact CD1-CG 3.98Å; Y186-R192 WeakPolarHBondContact O-CD 3.26Å; D188-R192 WeakPolarHBondContact O-CG 3.45Å; D188-R192 PolarHBondContact O-N 2.84Å; D188-R192 VanDerWaalsContact O-N 3.13Å; A190-R192 PolarHBondContact O-N 3.46Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R192-R195 PolarHBondContact O-N 3.07Å; R192-K196 PolarHBondContact O-N 3.24Å
193	E	93.4	Very high	90.9	Very high	148 Å²	148	61.1 Å²	61.1	69%	0.692	30%	0.296	S	S	*	.	H	α-helix	trans	-63.7	-41.7	174.7	-175.9	169	-162.3	0	0	111.3	P189 A190 K196 L197	P189-E193 WeakPolarHBondContact O-CB 3.27Å; P189-E193 PolarHBondContact O-N 3.49Å; A190-E193 PolarHBondContact O-N 3.39Å; E193-K196 PolarHBondContact O-N 3.22Å; E193-L197 PolarHBondContact O-N 3.44Å
194	R	95.1	Very high	91	Very high	55 Å²	55	65.3 Å²	65.3	21%	0.208	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-44.2	175.4	-176.5	57.7	170.3	179.9	-0.8	112.4	A190 Y191 R192 L197 I198 E215 E220	A190-R194 VanDerWaalsContact O-CB 3.3Å; A190-R194 WeakPolarHBondContact O-CB 3.23Å; A190-R194 PolarHBondContact O-N 3.16Å; Y191-R194 WeakPolarHBondContact O-CB 3.49Å; Y191-R194 PolarHBondContact O-N 3.35Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R194-L197 PolarHBondContact O-N 2.96Å; R194-I198 HydrophobicContact CG-CD1 4.32Å; R194-I198 WeakPolarHBondContact O-CG1 3.06Å; R194-I198 PolarHBondContact O-N 2.86Å; R194-E215 PolarHBondContact NH2-O 3.4Å; R194-E220 WeakPolarHBondContact CG-OE1 3.41Å; R194-E220 IonicContact CZ-OE1 3.47Å; R194-E220 IonicContact CZ-OE2 2.75Å; R194-E220 IonicContact NE-OE1 2.75Å; R194-E220 PolarHBondContact NE-OE1 3.2Å; R194-E220 IonicContact NE-OE2 3.59Å; R194-E220 IonicContact NH2-OE1 2.82Å; R194-E220 PolarHBondContact NH2-OE1 3.18Å; R194-E220 IonicContact NH2-OE2 3.55Å; R194-E220 PolarHBondContact NH2-OE2 2.97Å
195	R	92	Very high	91.2	Very high	6 Å²	6	63.8 Å²	63.8	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-46.1	174.8	-79	-69	-64.3	-90.1	-2.2	112.2	F175 Y191 R192 L197 I198 G199 Y305 E317	F175-R195 PolarHBondContact O-NH2 3.17Å; Y191-R195 HydrophobicContact CD1-CG 4.03Å; Y191-R195 HydrophobicContact CE1-CG 3.7Å; Y191-R195 WeakPolarHBondContact O-CB 3.33Å; Y191-R195 WeakPolarHBondContact O-CG 3.37Å; Y191-R195 PolarHBondContact O-N 2.84Å; R192-R195 PolarHBondContact O-N 3.07Å; R195-L197 PolarHBondContact O-N 2.92Å; R195-I198 PolarHBondContact O-N 2.93Å; R195-G199 PolarHBondContact O-N 3.05Å; R195-Y305 VanDerWaalsContact CD-CB 3.48Å; R195-Y305 VanDerWaalsContact CD-CG 3.43Å; R195-E317 IonicContact CZ-OE2 2.67Å; R195-E317 IonicContact NH1-OE1 3.27Å; R195-E317 IonicContact NH1-OE2 2.75Å; R195-E317 PolarHBondContact NH1-OE2 3.49Å; R195-E317 IonicContact NH2-OE2 3.56Å; R195-E317 PolarHBondContact NH2-OE2 2.78Å
196	K	90.4	Very high	91.4	Very high	118 Å²	118	66.9 Å²	66.9	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-45.8	176.3	-176.5	-175	174.4	-168.8	0	112	R192 E193 I198 G199 D200	R192-K196 PolarHBondContact O-N 3.24Å; E193-K196 PolarHBondContact O-N 3.22Å; K196-I198 VanDerWaalsContact C-N 3.31Å; K196-I198 PolarHBondContact O-N 3.38Å; K196-G199 PolarHBondContact O-N 3.23Å; K196-D200 PolarHBondContact O-N 2.97Å
197	L	92.1	Very high	91.6	Very high	95 Å²	95	66.3 Å²	66.3	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-42.3	179	-178.3	147.7	0	0	0	111.9	E193 R194 R195	E193-L197 PolarHBondContact O-N 3.44Å; R194-L197 PolarHBondContact O-N 2.96Å; R195-L197 PolarHBondContact O-N 2.92Å
198	I	93.7	Very high	91.7	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-39.1	176.6	-65.3	174.8	0	0	0	111.1	R194 R195 K196 D200 I201 V214 Q304	R194-I198 HydrophobicContact CG-CD1 4.32Å; R194-I198 WeakPolarHBondContact O-CG1 3.06Å; R194-I198 PolarHBondContact O-N 2.86Å; R195-I198 PolarHBondContact O-N 2.93Å; K196-I198 VanDerWaalsContact C-N 3.31Å; K196-I198 PolarHBondContact O-N 3.38Å; I198-D200 VanDerWaalsContact C-N 3.3Å; I198-D200 PolarHBondContact O-N 3.47Å; I198-I201 VanDerWaalsContact O-CB 3.27Å; I198-I201 WeakPolarHBondContact O-CB 3.34Å; I198-I201 PolarHBondContact O-N 2.91Å; I198-I201 VanDerWaalsContact O-N 3.15Å; I198-V214 HydrophobicContact CD1-CG1 4.17Å; I198-V214 HydrophobicContact CG1-CG1 4.33Å; I198-Q304 HydrophobicContact CG2-CB 3.49Å; I198-Q304 VanDerWaalsContact CG2-CB 3.49Å
199	G	88.9	Confident	91.9	Very high	3 Å²	3	61 Å²	61	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-38.4	175.3	0	0	0	0	0	112.9	R195 K196 I201 A202 F203	R195-G199 PolarHBondContact O-N 3.05Å; K196-G199 PolarHBondContact O-N 3.23Å; G199-I201 PolarHBondContact O-N 3.08Å; G199-A202 WeakPolarHBondContact O-CB 3.42Å; G199-A202 PolarHBondContact O-N 2.8Å; G199-F203 WeakPolarHBondContact O-CD2 3.49Å; G199-F203 PolarHBondContact O-N 2.87Å; G199-F203 VanDerWaalsContact O-N 3.16Å
200	D	88.4	Confident	92.1	Very high	81 Å²	81	60.6 Å²	60.6	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-28.7	176.6	-75.9	-22.6	0	0	0	112.5	K196 I198 T204	K196-D200 PolarHBondContact O-N 2.97Å; I198-D200 VanDerWaalsContact C-N 3.3Å; I198-D200 PolarHBondContact O-N 3.47Å; D200-T204 WeakPolarHBondContact O-CG2 3.31Å; D200-T204 PolarHBondContact O-N 3.35Å; D200-T204 PolarHBondContact O-OG1 3.25Å
201	I	91.4	Very high	92.2	Very high	24 Å²	24	57.8 Å²	57.8	12%	0.123	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-48.7	172.1	-64.4	171.3	0	0	0	110.3	I198 G199 F203 T204 Y205 P212 V214	I198-I201 VanDerWaalsContact O-CB 3.27Å; I198-I201 WeakPolarHBondContact O-CB 3.34Å; I198-I201 PolarHBondContact O-N 2.91Å; I198-I201 VanDerWaalsContact O-N 3.15Å; G199-I201 PolarHBondContact O-N 3.08Å; I201-F203 VanDerWaalsContact C-N 3.33Å; I201-F203 PolarHBondContact O-N 2.82Å; I201-T204 PolarHBondContact O-N 3.07Å; I201-T204 PolarHBondContact O-OG1 3.1Å; I201-Y205 WeakPolarHBondContact O-CB 3.48Å; I201-Y205 PolarHBondContact O-N 3.03Å; I201-P212 HydrophobicContact CG2-CB 3.67Å; I201-P212 HydrophobicContact CG2-CG 3.7Å; I201-V214 HydrophobicContact CD1-CG2 3.58Å
202	A	88.4	Confident	92.4	Very high	4 Å²	4	59 Å²	59	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-37.2	-179	0	0	0	0	0	112.3	G199 T204 P281 V282 A283	G199-A202 WeakPolarHBondContact O-CB 3.42Å; G199-A202 PolarHBondContact O-N 2.8Å; A202-T204 VanDerWaalsContact C-N 3.32Å; A202-T204 PolarHBondContact O-N 3.47Å; A202-P281 HydrophobicContact CB-CB 4.22Å; A202-V282 VanDerWaalsContact CB-C 3.46Å; A202-A283 HydrophobicContact CB-CB 4.1Å
203	F	83.9	Confident	92.7	Very high	51 Å²	51	61.4 Å²	61.4	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-69.7	-28.3	178.1	-72	-59.4	0	0	0	114.2	D176 G199 I201 A283	D176-F203 WeakPolarHBondContact OD2-CE2 3.36Å; D176-F203 WeakPolarHBondContact OD2-CZ 3.26Å; G199-F203 WeakPolarHBondContact O-CD2 3.49Å; G199-F203 PolarHBondContact O-N 2.87Å; G199-F203 VanDerWaalsContact O-N 3.16Å; I201-F203 VanDerWaalsContact C-N 3.33Å; I201-F203 PolarHBondContact O-N 2.82Å; F203-A283 HydrophobicContact CD2-CB 4.44Å; F203-A283 HydrophobicContact CE1-CB 4.4Å; F203-A283 HydrophobicContact CE2-CB 3.77Å; F203-A283 HydrophobicContact CZ-CB 3.74Å
204	T	88	Confident	92.9	Very high	97 Å²	97	54.7 Å²	54.7	60%	0.595	29%	0.287	S	S	*	.	H	α-helix	trans	-93.4	-19	-178	54	0	0	0	0	113.1	D200 I201 A202	D200-T204 WeakPolarHBondContact O-CG2 3.31Å; D200-T204 PolarHBondContact O-N 3.35Å; D200-T204 PolarHBondContact O-OG1 3.25Å; I201-T204 PolarHBondContact O-N 3.07Å; I201-T204 PolarHBondContact O-OG1 3.1Å; A202-T204 VanDerWaalsContact C-N 3.32Å; A202-T204 PolarHBondContact O-N 3.47Å
205	Y	92.6	Very high	93.1	Very high	17 Å²	17	60.5 Å²	60.5	7%	0.067	32%	0.317	C	S	.	.			trans	-60.9	135.1	178.2	-180	-96.9	0	0	0	112.7	I201 Q209 I211 R280 P281	I201-Y205 WeakPolarHBondContact O-CB 3.48Å; I201-Y205 PolarHBondContact O-N 3.03Å; Y205-Q209 HydrophobicContact CE2-CB 4.31Å; Y205-Q209 VanDerWaalsContact CE2-O 3.31Å; Y205-Q209 WeakPolarHBondContact CE2-O 3.37Å; Y205-Q209 PolarHBondContact OH-O 2.82Å; Y205-I211 HydrophobicContact CE2-CB 4.46Å; Y205-I211 HydrophobicContact CE2-CG1 3.89Å; Y205-R280 HydrophobicContact CD1-CG 4Å; Y205-R280 HydrophobicContact CE1-CG 3.86Å; Y205-R280 PolarHBondContact O-NH2 2.7Å; Y205-P281 HydrophobicContact CD1-CG 3.85Å; Y205-P281 HydrophobicContact CD2-CG 3.85Å; Y205-P281 HydrophobicContact CG-CG 3.48Å; Y205-P281 VanDerWaalsContact CG-CG 3.48Å
206	K	92.2	Very high	93.4	Very high	65 Å²	65	61.3 Å²	61.3	28%	0.283	32%	0.32	S	S	.	.			trans	-126.8	147.8	172.3	-64	-64.9	175.3	-169.8	0	111.8	D166 G208 Q209	D166-K206 HydrophobicContact CB-CD 3.99Å; D166-K206 WeakPolarHBondContact OD1-CA 3.14Å; D166-K206 WeakPolarHBondContact OD2-CD 3.48Å; K206-G208 PolarHBondContact O-N 2.77Å; K206-Q209 HydrophobicContact CB-CG 4.48Å; K206-Q209 WeakPolarHBondContact O-CB 3.4Å; K206-Q209 PolarHBondContact O-N 2.74Å; K206-Q209 VanDerWaalsContact O-N 3.12Å
207	H	93.6	Very high	93.8	Very high	64 Å²	64	58.6 Å²	58.6	30%	0.296	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	136.2	179.5	174.9	71.6	0	0	0	111.2	I162 A163 D166 Q209	I162-H207 WeakPolarHBondContact CG2-NE2 3.46Å; A163-H207 HydrophobicContact CB-CB 4.36Å; D166-H207 PolarHBondContact OD1-N 2.86Å; D166-H207 PolarHBondContact OD2-N 2.96Å; H207-Q209 VanDerWaalsContact C-N 3.32Å
208	G	93.6	Very high	94	Very high	67 Å²	67	61 Å²	61	69%	0.691	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-11.4	-178.2	0	0	0	0	0	114.2	K206	K206-G208 PolarHBondContact O-N 2.77Å
209	Q	96.8	Very high	94.2	Very high	98 Å²	98	67 Å²	67	46%	0.458	35%	0.35	S	S	.	.	S	Bend	trans	-82.7	150.7	169.6	-62.1	178.2	-16.3	0	0	110.9	Y205 K206 H207	Y205-Q209 HydrophobicContact CE2-CB 4.31Å; Y205-Q209 VanDerWaalsContact CE2-O 3.31Å; Y205-Q209 WeakPolarHBondContact CE2-O 3.37Å; Y205-Q209 PolarHBondContact OH-O 2.82Å; K206-Q209 HydrophobicContact CB-CG 4.48Å; K206-Q209 WeakPolarHBondContact O-CB 3.4Å; K206-Q209 PolarHBondContact O-N 2.74Å; K206-Q209 VanDerWaalsContact O-N 3.12Å; H207-Q209 VanDerWaalsContact C-N 3.32Å
210	P	97.9	Very high	94.7	Very high	92 Å²	92	67.6 Å²	67.6	60%	0.597	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-63.8	142.8	166.9	28.6	-34.1	0	0	0	109.9	P212 E265	P210-P212 WeakPolarHBondContact O-CD 3.47Å; P210-E265 WeakPolarHBondContact CA-OE2 3.4Å
211	I	98.3	Very high	95.2	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-68.7	125.1	177.9	-54.7	171.6	0	0	0	108.6	Y205 R213 L264 E265 L279 P281	Y205-I211 HydrophobicContact CE2-CB 4.46Å; Y205-I211 HydrophobicContact CE2-CG1 3.89Å; I211-R213 PolarHBondContact O-N 2.81Å; I211-L264 HydrophobicContact CB-CB 4.47Å; I211-L264 HydrophobicContact CD1-CB 3.91Å; I211-L264 HydrophobicContact CG2-CB 3.9Å; I211-L264 HydrophobicContact CG2-CD1 4.46Å; I211-E265 HydrophobicContact CB-CB 4.13Å; I211-E265 PolarHBondContact N-OE2 3.06Å; I211-L279 HydrophobicContact CD1-CB 4.08Å; I211-L279 WeakPolarHBondContact CD1-O 3.34Å; I211-P281 HydrophobicContact CG2-CB 4.28Å; I211-P281 HydrophobicContact CG2-CG 4Å
212	P	98.1	Very high	95.5	Very high	51 Å²	51	66.5 Å²	66.5	33%	0.331	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-60.7	134.4	180	-26.9	37.8	0	0	0	112	I201 P210 Q304	I201-P212 HydrophobicContact CG2-CB 3.67Å; I201-P212 HydrophobicContact CG2-CG 3.7Å; P210-P212 WeakPolarHBondContact O-CD 3.47Å; P212-Q304 PolarHBondContact O-NE2 3.18Å; P212-Q304 VanDerWaalsContact O-NE2 3.08Å
213	R	98.1	Very high	95.9	Very high	142 Å²	142	66.6 Å²	66.6	54%	0.536	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-75.8	144.6	177.8	-67.9	-175.4	177.5	-100.5	-8.3	110.6	I211 Q263 D266	I211-R213 PolarHBondContact O-N 2.81Å; R213-Q263 HydrophobicContact CG-CB 4.43Å; R213-Q263 HydrophobicContact CG-CG 4.32Å; R213-D266 IonicContact CZ-OD1 3.7Å; R213-D266 IonicContact CZ-OD2 3.87Å; R213-D266 VanDerWaalsContact CZ-OD2 3.26Å; R213-D266 IonicContact NH1-OD2 3.65Å; R213-D266 PolarHBondContact NH1-OD2 3.4Å; R213-D266 IonicContact NH2-OD1 2.82Å; R213-D266 PolarHBondContact NH2-OD1 2.84Å; R213-D266 IonicContact NH2-OD2 2.77Å; R213-D266 PolarHBondContact NH2-OD2 3.29Å
214	V	97.9	Very high	96.6	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.042	34%	0.341	C	S	.	.			trans	-108.8	122.5	174.5	176	0	0	0	0	108.5	I198 I201 Y216 Q263 Q304	I198-V214 HydrophobicContact CD1-CG1 4.17Å; I198-V214 HydrophobicContact CG1-CG1 4.33Å; I201-V214 HydrophobicContact CD1-CG2 3.58Å; V214-Y216 HydrophobicContact CB-CE1 4.31Å; V214-Y216 HydrophobicContact CB-CE2 4.06Å; V214-Y216 HydrophobicContact CG1-CD1 3.93Å; V214-Y216 HydrophobicContact CG1-CD2 4.38Å; V214-Y216 HydrophobicContact CG1-CE1 3.76Å; V214-Y216 HydrophobicContact CG1-CE2 4.24Å; V214-Y216 HydrophobicContact CG1-CG 4.24Å; V214-Y216 WeakPolarHBondContact O-CD2 3.38Å; V214-Y216 PolarHBondContact O-N 3.3Å; V214-Q263 PolarHBondContact O-NE2 2.98Å; V214-Q304 HydrophobicContact CG2-CB 4.37Å
215	E	98	Very high	97.1	Very high	178 Å²	178	63.1 Å²	63.1	83%	0.832	33%	0.326	S	S	*	.			trans	-77.8	101	167.7	-174.1	176.3	178.4	0	0	108.2	R194	R194-E215 PolarHBondContact NH2-O 3.4Å
216	Y	98.5	Very high	97.2	Very high	22 Å²	22	66.7 Å²	66.7	9%	0.086	34%	0.343	C	S	.	.			trans	-75.2	141.9	179.2	-66.9	-77.1	0	0	0	111.3	V214 E220 I261 Q304	V214-Y216 HydrophobicContact CB-CE1 4.31Å; V214-Y216 HydrophobicContact CB-CE2 4.06Å; V214-Y216 HydrophobicContact CG1-CD1 3.93Å; V214-Y216 HydrophobicContact CG1-CD2 4.38Å; V214-Y216 HydrophobicContact CG1-CE1 3.76Å; V214-Y216 HydrophobicContact CG1-CE2 4.24Å; V214-Y216 HydrophobicContact CG1-CG 4.24Å; V214-Y216 WeakPolarHBondContact O-CD2 3.38Å; V214-Y216 PolarHBondContact O-N 3.3Å; Y216-E220 WeakPolarHBondContact CA-OE2 3.36Å; Y216-E220 HydrophobicContact CD1-CB 4.31Å; Y216-E220 WeakPolarHBondContact CD1-OE2 3.47Å; Y216-I261 HydrophobicContact CD1-CD1 3.74Å; Y216-I261 HydrophobicContact CD2-CB 3.65Å; Y216-I261 HydrophobicContact CD2-CD1 4.04Å; Y216-I261 HydrophobicContact CD2-CG1 4.4Å; Y216-I261 HydrophobicContact CD2-CG2 3.88Å; Y216-I261 HydrophobicContact CE1-CD1 4.23Å; Y216-I261 HydrophobicContact CE1-CG2 4.34Å; Y216-I261 HydrophobicContact CE2-CB 3.78Å; Y216-I261 HydrophobicContact CE2-CD1 4.5Å; Y216-I261 HydrophobicContact CE2-CG2 3.45Å; Y216-I261 VanDerWaalsContact CE2-CG2 3.45Å; Y216-I261 HydrophobicContact CG-CB 4.18Å; Y216-I261 HydrophobicContact CG-CD1 3.63Å; Y216-I261 HydrophobicContact CG-CG1 4.45Å; Y216-I261 HydrophobicContact CG-CG2 4.48Å; Y216-Q304 VanDerWaalsContact CE1-O 3.31Å; Y216-Q304 WeakPolarHBondContact CE1-O 3.17Å; Y216-Q304 PolarHBondContact OH-O 3.24Å
217	T	98.4	Very high	97.4	Very high	62 Å²	62	63.9 Å²	63.9	38%	0.38	33%	0.331	S	S	.	.			trans	-75.6	163.1	177.7	75.6	0	0	0	0	111.2	E219 E220 I221	T217-E219 PolarHBondContact O-N 2.91Å; T217-E219 PolarHBondContact OG1-N 3.44Å; T217-E220 PolarHBondContact N-OE2 3.11Å; T217-E220 WeakPolarHBondContact O-CB 3.45Å; T217-E220 PolarHBondContact O-N 3.26Å; T217-E220 WeakPolarHBondContact OG1-CG 3.46Å; T217-E220 PolarHBondContact OG1-N 3.37Å; T217-I221 WeakPolarHBondContact O-CG1 3.39Å; T217-I221 PolarHBondContact O-N 2.9Å
218	E	98.3	Very high	97.6	Very high	145 Å²	145	61 Å²	61	68%	0.678	32%	0.318	S	S	*	.	H	α-helix	trans	-58.9	-33.7	174.5	-71	-62.5	147.7	0	0	113	S222	E218-S222 VanDerWaalsContact O-CB 3.26Å; E218-S222 WeakPolarHBondContact O-CB 3.44Å; E218-S222 PolarHBondContact O-N 3.36Å
219	E	97.9	Very high	97.7	Very high	131 Å²	131	60.1 Å²	60.1	61%	0.612	30%	0.301	S	S	*	.	H	α-helix	trans	-69.2	-41.9	176.3	-177.1	177.5	-122.9	0	0	111.7	T217 S222 T223 A309	T217-E219 PolarHBondContact O-N 2.91Å; T217-E219 PolarHBondContact OG1-N 3.44Å; E219-S222 PolarHBondContact O-N 2.96Å; E219-T223 PolarHBondContact O-N 2.86Å; E219-T223 PolarHBondContact O-OG1 2.68Å; E219-A309 HydrophobicContact CG-CB 3.85Å
220	E	98.4	Very high	97.6	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-48.2	174.3	-69.4	175.2	151.5	0	0	110.2	R194 Y216 T217 S222 T223 W224 I261 I306	R194-E220 WeakPolarHBondContact CG-OE1 3.41Å; R194-E220 IonicContact CZ-OE1 3.47Å; R194-E220 IonicContact CZ-OE2 2.75Å; R194-E220 IonicContact NE-OE1 2.75Å; R194-E220 PolarHBondContact NE-OE1 3.2Å; R194-E220 IonicContact NE-OE2 3.59Å; R194-E220 IonicContact NH2-OE1 2.82Å; R194-E220 PolarHBondContact NH2-OE1 3.18Å; R194-E220 IonicContact NH2-OE2 3.55Å; R194-E220 PolarHBondContact NH2-OE2 2.97Å; Y216-E220 WeakPolarHBondContact CA-OE2 3.36Å; Y216-E220 HydrophobicContact CD1-CB 4.31Å; Y216-E220 WeakPolarHBondContact CD1-OE2 3.47Å; T217-E220 PolarHBondContact N-OE2 3.11Å; T217-E220 WeakPolarHBondContact O-CB 3.45Å; T217-E220 PolarHBondContact O-N 3.26Å; T217-E220 WeakPolarHBondContact OG1-CG 3.46Å; T217-E220 PolarHBondContact OG1-N 3.37Å; E220-S222 VanDerWaalsContact C-N 3.3Å; E220-S222 PolarHBondContact O-N 3.16Å; E220-T223 WeakPolarHBondContact O-CB 3.46Å; E220-T223 PolarHBondContact O-N 2.89Å; E220-W224 PolarHBondContact O-N 3.47Å; E220-I261 HydrophobicContact CB-CD1 4.36Å; E220-I306 HydrophobicContact CB-CG2 3.74Å; E220-I306 HydrophobicContact CG-CG2 3.53Å; E220-I306 VanDerWaalsContact O-CD1 3.3Å; E220-I306 WeakPolarHBondContact O-CD1 3.22Å
221	I	98.6	Very high	97.5	Very high	24 Å²	24	54 Å²	54	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-38.3	176.5	-64.9	167.1	0	0	0	110.9	T217 W224 R225 I261	T217-I221 WeakPolarHBondContact O-CG1 3.39Å; T217-I221 PolarHBondContact O-N 2.9Å; I221-W224 WeakPolarHBondContact O-CB 3.31Å; I221-W224 PolarHBondContact O-N 3Å; I221-R225 WeakPolarHBondContact O-CB 3.18Å; I221-R225 PolarHBondContact O-N 3.11Å; I221-I261 HydrophobicContact CG1-CD1 4.33Å
222	S	98.2	Very high	97.5	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-38.9	175.8	-171.5	0	0	0	0	112.8	E218 E219 E220 R225 Q226	E218-S222 VanDerWaalsContact O-CB 3.26Å; E218-S222 WeakPolarHBondContact O-CB 3.44Å; E218-S222 PolarHBondContact O-N 3.36Å; E219-S222 PolarHBondContact O-N 2.96Å; E220-S222 VanDerWaalsContact C-N 3.3Å; E220-S222 PolarHBondContact O-N 3.16Å; S222-R225 WeakPolarHBondContact O-CB 3.35Å; S222-R225 PolarHBondContact O-N 2.85Å; S222-Q226 PolarHBondContact O-N 3.28Å
223	T	97.1	Very high	97.4	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.043	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-47	175.1	-59.1	0	0	0	0	110.4	E219 E220 R225 Q226 V227 I306 R307 A309 P312	E219-T223 PolarHBondContact O-N 2.86Å; E219-T223 PolarHBondContact O-OG1 2.68Å; E220-T223 WeakPolarHBondContact O-CB 3.46Å; E220-T223 PolarHBondContact O-N 2.89Å; T223-R225 PolarHBondContact O-N 3.28Å; T223-Q226 PolarHBondContact O-N 3.13Å; T223-V227 PolarHBondContact O-N 3.47Å; T223-I306 HydrophobicContact CG2-CD1 4.21Å; T223-I306 HydrophobicContact CG2-CG1 4.31Å; T223-R307 HydrophobicContact CG2-CG 3.9Å; T223-A309 WeakPolarHBondContact OG1-CB 3.3Å; T223-P312 HydrophobicContact CG2-CB 4.14Å
224	W	98	Very high	97.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-49.7	173.4	168.3	-92.3	0	0	0	112	E220 I221 Q226 V227 Y228 S257 N260 I261 P262 I306 V321 L324 L325	E220-W224 PolarHBondContact O-N 3.47Å; I221-W224 WeakPolarHBondContact O-CB 3.31Å; I221-W224 PolarHBondContact O-N 3Å; W224-Q226 VanDerWaalsContact C-N 3.26Å; W224-Q226 PolarHBondContact O-N 3.32Å; W224-V227 PolarHBondContact O-N 3.41Å; W224-V227 VanDerWaalsContact O-N 3.16Å; W224-Y228 AromaticContact CE2-CD2 3.66Å; W224-Y228 HydrophobicContact CH2-CD2 4.33Å; W224-Y228 AromaticContact CZ2-CD2 3.45Å; W224-Y228 HydrophobicContact CZ2-CD2 3.45Å; W224-Y228 VanDerWaalsContact CZ2-CD2 3.45Å; W224-Y228 AromaticContact CZ2-CE2 3.93Å; W224-Y228 HydrophobicContact CZ2-CE2 3.93Å; W224-Y228 HydrophobicContact CZ2-CG 4.47Å; W224-Y228 AromaticContact NE1-CD2 3.75Å; W224-Y228 WeakPolarHBondContact O-CB 3.23Å; W224-Y228 PolarHBondContact O-N 3.49Å; W224-S257 PolarHBondContact NE1-O 2.66Å; W224-N260 PolarHBondContact NE1-O 2.85Å; W224-I261 HydrophobicContact CB-CD1 3.87Å; W224-I261 HydrophobicContact CB-CG1 3.56Å; W224-I261 HydrophobicContact CD2-CG1 3.8Å; W224-I261 HydrophobicContact CE3-CG1 4.15Å; W224-I261 HydrophobicContact CE3-CG2 4.38Å; W224-I261 HydrophobicContact CG-CD1 4.37Å; W224-I261 HydrophobicContact CG-CG1 3.52Å; W224-P262 HydrophobicContact CH2-CG 4.2Å; W224-P262 VanDerWaalsContact CZ2-CD 3.44Å; W224-P262 HydrophobicContact CZ2-CG 4.1Å; W224-I306 HydrophobicContact CB-CD1 3.82Å; W224-V321 HydrophobicContact CE3-CG2 3.81Å; W224-V321 HydrophobicContact CZ3-CG2 4.28Å; W224-L324 HydrophobicContact CH2-CB 3.96Å; W224-L324 HydrophobicContact CH2-CD1 4.12Å; W224-L324 HydrophobicContact CZ3-CB 4.11Å; W224-L324 HydrophobicContact CZ3-CD1 4.03Å; W224-L325 HydrophobicContact CH2-CD1 4.39Å; W224-L325 HydrophobicContact CH2-CD2 3.46Å; W224-L325 VanDerWaalsContact CH2-CD2 3.46Å; W224-L325 HydrophobicContact CH2-CG 3.84Å; W224-L325 HydrophobicContact CZ2-CD2 3.93Å; W224-L325 HydrophobicContact CZ3-CD1 4.4Å; W224-L325 HydrophobicContact CZ3-CD2 4.18Å; W224-L325 HydrophobicContact CZ3-CG 4.03Å
225	R	97.9	Very high	97.3	Very high	75 Å²	75	56.1 Å²	56.1	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-51.1	-46.9	-179.6	-175.3	-180	-64	107.9	0.8	112.1	I221 S222 T223 S229 P258 D259	I221-R225 WeakPolarHBondContact O-CB 3.18Å; I221-R225 PolarHBondContact O-N 3.11Å; S222-R225 WeakPolarHBondContact O-CB 3.35Å; S222-R225 PolarHBondContact O-N 2.85Å; T223-R225 PolarHBondContact O-N 3.28Å; R225-S229 WeakPolarHBondContact O-CB 3.32Å; R225-S229 PolarHBondContact O-N 3.44Å; R225-S229 PolarHBondContact O-OG 2.74Å; R225-P258 VanDerWaalsContact CA-O 3.23Å; R225-P258 WeakPolarHBondContact CA-O 3.49Å; R225-P258 WeakPolarHBondContact CB-O 3.42Å; R225-P258 HydrophobicContact CG-CB 3.97Å; R225-P258 WeakPolarHBondContact CG-O 3.29Å; R225-D259 IonicContact CZ-OD1 3.32Å; R225-D259 IonicContact NE-OD1 3.18Å; R225-D259 PolarHBondContact NE-OD1 3.08Å; R225-D259 IonicContact NH2-OD1 2.75Å; R225-D259 PolarHBondContact NH2-OD1 3.43Å
226	Q	95.8	Very high	97.2	Very high	92 Å²	92	53.3 Å²	53.3	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-48.2	-178.3	-179.2	176	-3.1	0	0	111.6	S222 T223 W224 T230	S222-Q226 PolarHBondContact O-N 3.28Å; T223-Q226 PolarHBondContact O-N 3.13Å; W224-Q226 VanDerWaalsContact C-N 3.26Å; W224-Q226 PolarHBondContact O-N 3.32Å; Q226-T230 PolarHBondContact O-N 3.3Å; Q226-T230 PolarHBondContact O-OG1 2.6Å
227	V	95.4	Very high	97.1	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.036	29%	0.289	C	S	.	.	H	α-helix	trans	-71.7	-45.8	-178	-176.2	0	0	0	0	111.1	T223 W224 S229 T230 L231 P312 V321	T223-V227 PolarHBondContact O-N 3.47Å; W224-V227 PolarHBondContact O-N 3.41Å; W224-V227 VanDerWaalsContact O-N 3.16Å; V227-S229 PolarHBondContact O-N 2.91Å; V227-T230 PolarHBondContact O-N 3.24Å; V227-L231 HydrophobicContact CG1-CD1 3.52Å; V227-L231 HydrophobicContact CG1-CG 4.18Å; V227-L231 WeakPolarHBondContact O-CB 3.35Å; V227-L231 WeakPolarHBondContact O-CG 3.15Å; V227-L231 PolarHBondContact O-N 3.06Å; V227-P312 HydrophobicContact CG2-CB 4.26Å; V227-P312 WeakPolarHBondContact CG2-O 3.16Å; V227-V321 HydrophobicContact CB-CG1 4.22Å; V227-V321 HydrophobicContact CG1-CG1 3.53Å
228	Y	97.6	Very high	97.1	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-53.9	-51.5	177.9	-174.7	-83.3	0	0	0	111.7	W224 T230 L231 R232 F247 E251 Y256 P258 L325	W224-Y228 AromaticContact CE2-CD2 3.66Å; W224-Y228 HydrophobicContact CH2-CD2 4.33Å; W224-Y228 AromaticContact CZ2-CD2 3.45Å; W224-Y228 HydrophobicContact CZ2-CD2 3.45Å; W224-Y228 VanDerWaalsContact CZ2-CD2 3.45Å; W224-Y228 AromaticContact CZ2-CE2 3.93Å; W224-Y228 HydrophobicContact CZ2-CE2 3.93Å; W224-Y228 HydrophobicContact CZ2-CG 4.47Å; W224-Y228 AromaticContact NE1-CD2 3.75Å; W224-Y228 WeakPolarHBondContact O-CB 3.23Å; W224-Y228 PolarHBondContact O-N 3.49Å; Y228-T230 VanDerWaalsContact C-N 3.35Å; Y228-T230 PolarHBondContact O-N 3.49Å; Y228-L231 PolarHBondContact O-N 3.44Å; Y228-R232 HydrophobicContact CE1-CB 4.45Å; Y228-R232 WeakPolarHBondContact O-CB 3.5Å; Y228-R232 PolarHBondContact O-N 3.47Å; Y228-F247 HydrophobicContact CD2-CZ 4.36Å; Y228-F247 HydrophobicContact CE1-CZ 4.47Å; Y228-F247 HydrophobicContact CE2-CE1 4.33Å; Y228-F247 HydrophobicContact CE2-CE2 4.3Å; Y228-F247 AromaticContact CE2-CZ 3.52Å; Y228-F247 HydrophobicContact CE2-CZ 3.52Å; Y228-F247 AromaticContact CZ-CE1 3.91Å; Y228-F247 AromaticContact CZ-CZ 3.56Å; Y228-F247 WeakPolarHBondContact OH-CE1 3.19Å; Y228-F247 WeakPolarHBondContact OH-CZ 3.31Å; Y228-E251 VanDerWaalsContact OH-CG 3.24Å; Y228-E251 WeakPolarHBondContact OH-CG 3.44Å; Y228-E251 PolarHBondContact OH-OE1 3.11Å; Y228-Y256 HydrophobicContact CE2-CD1 4.25Å; Y228-P258 HydrophobicContact CD1-CB 4.1Å; Y228-L325 HydrophobicContact CD2-CD1 4.43Å; Y228-L325 HydrophobicContact CD2-CD2 3.79Å; Y228-L325 HydrophobicContact CE2-CD2 4.05Å
229	S	96.6	Very high	97.1	Very high	49 Å²	49	48 Å²	48	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-43.5	-175.9	-55.1	0	0	0	0	111.4	R225 V227 D233	R225-S229 WeakPolarHBondContact O-CB 3.32Å; R225-S229 PolarHBondContact O-N 3.44Å; R225-S229 PolarHBondContact O-OG 2.74Å; V227-S229 PolarHBondContact O-N 2.91Å; S229-D233 PolarHBondContact O-N 3.3Å
230	T	95	Very high	97.1	Very high	61 Å²	61	41.8 Å²	41.8	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-48.5	-179.5	-53.1	0	0	0	0	111.7	Q226 V227 Y228 D233 L234 Y388	Q226-T230 PolarHBondContact O-N 3.3Å; Q226-T230 PolarHBondContact O-OG1 2.6Å; V227-T230 PolarHBondContact O-N 3.24Å; Y228-T230 VanDerWaalsContact C-N 3.35Å; Y228-T230 PolarHBondContact O-N 3.49Å; T230-D233 PolarHBondContact O-N 3.38Å; T230-L234 HydrophobicContact CG2-CD1 4.48Å; T230-L234 PolarHBondContact O-N 3.31Å; T230-Y388 HydrophobicContact CG2-CG 4.49Å
231	L	96.1	Very high	97.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-38.8	-178.5	-73.5	172.7	0	0	0	112.1	V227 Y228 D233 L234 Y235 L325 L385 L391	V227-L231 HydrophobicContact CG1-CD1 3.52Å; V227-L231 HydrophobicContact CG1-CG 4.18Å; V227-L231 WeakPolarHBondContact O-CB 3.35Å; V227-L231 WeakPolarHBondContact O-CG 3.15Å; V227-L231 PolarHBondContact O-N 3.06Å; Y228-L231 PolarHBondContact O-N 3.44Å; L231-D233 PolarHBondContact O-N 2.92Å; L231-L234 PolarHBondContact O-N 2.8Å; L231-Y235 HydrophobicContact CB-CE1 3.95Å; L231-Y235 HydrophobicContact CB-CE2 4.08Å; L231-Y235 HydrophobicContact CD2-CE1 4.42Å; L231-Y235 WeakPolarHBondContact O-CD1 3.37Å; L231-Y235 WeakPolarHBondContact O-CD2 3.3Å; L231-Y235 PolarHBondContact O-N 3.45Å; L231-L325 HydrophobicContact CD1-CD1 3.88Å; L231-L385 WeakPolarHBondContact CD1-O 3.34Å; L231-L391 HydrophobicContact CD2-CD2 4.47Å
232	R	96.7	Very high	97	Very high	104 Å²	104	46.7 Å²	46.7	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	-56.4	-39.8	178.5	-176.2	179.1	-177.1	-70.7	-3.5	112.5	Y228 F247 E251	Y228-R232 HydrophobicContact CE1-CB 4.45Å; Y228-R232 WeakPolarHBondContact O-CB 3.5Å; Y228-R232 PolarHBondContact O-N 3.47Å; R232-F247 HydrophobicContact CG-CE1 4.16Å; R232-E251 IonicContact CZ-OE1 3.49Å; R232-E251 IonicContact NE-OE1 3.68Å; R232-E251 PolarHBondContact NE-OE1 2.86Å; R232-E251 IonicContact NH2-OE1 3.58Å; R232-E251 IonicContact NH2-OE2 3.16Å
233	D	96.2	Very high	97.1	Very high	107 Å²	107	43.9 Å²	43.9	57%	0.572	22%	0.219	S	C	*	.	H	α-helix	trans	-69.5	-40.8	176.5	-71.5	-14.1	0	0	0	111.5	S229 T230 L231 Y235	S229-D233 PolarHBondContact O-N 3.3Å; T230-D233 PolarHBondContact O-N 3.38Å; L231-D233 PolarHBondContact O-N 2.92Å; D233-Y235 PolarHBondContact O-N 3.36Å
234	L	96.7	Very high	97.1	Very high	37 Å²	37	45.2 Å²	45.2	19%	0.194	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-33.7	178.5	-71.6	171.5	0	0	0	113.3	T230 L231 I236 T237 H238 L391 V392	T230-L234 HydrophobicContact CG2-CD1 4.48Å; T230-L234 PolarHBondContact O-N 3.31Å; L231-L234 PolarHBondContact O-N 2.8Å; L234-I236 PolarHBondContact O-N 3.32Å; L234-I236 VanDerWaalsContact O-N 3.15Å; L234-T237 PolarHBondContact O-N 2.83Å; L234-T237 VanDerWaalsContact O-N 3.15Å; L234-T237 PolarHBondContact O-OG1 2.82Å; L234-H238 WeakPolarHBondContact O-CB 3.37Å; L234-H238 PolarHBondContact O-N 3.43Å; L234-H238 PolarHBondContact O-ND1 3.49Å; L234-L391 HydrophobicContact CB-CD2 3.95Å; L234-L391 HydrophobicContact CD1-CD2 4.45Å; L234-V392 HydrophobicContact CD2-CG2 4.31Å
235	Y	98.2	Very high	97.1	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-34.6	-178.4	-64.3	-31	0	0	0	112.7	L231 D233 T237 H238 A239 H243 F247 L325 L385 L391	L231-Y235 HydrophobicContact CB-CE1 3.95Å; L231-Y235 HydrophobicContact CB-CE2 4.08Å; L231-Y235 HydrophobicContact CD2-CE1 4.42Å; L231-Y235 WeakPolarHBondContact O-CD1 3.37Å; L231-Y235 WeakPolarHBondContact O-CD2 3.3Å; L231-Y235 PolarHBondContact O-N 3.45Å; D233-Y235 PolarHBondContact O-N 3.36Å; Y235-T237 PolarHBondContact O-N 2.79Å; Y235-T237 VanDerWaalsContact O-N 3.13Å; Y235-H238 PolarHBondContact O-N 3.16Å; Y235-A239 HydrophobicContact CD1-CB 4.03Å; Y235-A239 HydrophobicContact CG-CB 4.27Å; Y235-A239 WeakPolarHBondContact O-CB 3.49Å; Y235-A239 PolarHBondContact O-N 3.2Å; Y235-H243 AromaticContact CD1-CE1 3.91Å; Y235-H243 AromaticContact CD2-CE1 3.64Å; Y235-H243 AromaticContact CE1-CE1 3.82Å; Y235-H243 AromaticContact CE2-CE1 3.56Å; Y235-H243 AromaticContact CG-CE1 3.83Å; Y235-H243 AromaticContact CZ-CE1 3.64Å; Y235-F247 HydrophobicContact CD2-CZ 4.47Å; Y235-F247 HydrophobicContact CE2-CD2 4.26Å; Y235-F247 AromaticContact CE2-CE2 3.87Å; Y235-F247 HydrophobicContact CE2-CE2 3.87Å; Y235-F247 AromaticContact CE2-CZ 3.99Å; Y235-F247 HydrophobicContact CE2-CZ 3.99Å; Y235-L325 WeakPolarHBondContact OH-CB 3.42Å; Y235-L385 HydrophobicContact CD1-CD2 4Å; Y235-L385 HydrophobicContact CE1-CB 4.27Å; Y235-L385 HydrophobicContact CE1-CD2 3.93Å; Y235-L385 VanDerWaalsContact CE1-O 3.29Å; Y235-L385 WeakPolarHBondContact CE1-O 3.24Å; Y235-L385 PolarHBondContact OH-O 3.44Å; Y235-L391 HydrophobicContact CD1-CD2 4.49Å
236	I	96	Very high	97.1	Very high	119 Å²	119	47.2 Å²	47.2	61%	0.61	24%	0.24	S	C	*	.	H	α-helix	trans	-54.6	-36.7	-177.9	-60	173.7	0	0	0	111.4	L234	L234-I236 PolarHBondContact O-N 3.32Å; L234-I236 VanDerWaalsContact O-N 3.15Å
237	T	95.8	Very high	97.3	Very high	81 Å²	81	43.2 Å²	43.2	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-105.6	-27.5	-177.5	56.8	0	0	0	0	113.4	L234 Y235 K378	L234-T237 PolarHBondContact O-N 2.83Å; L234-T237 VanDerWaalsContact O-N 3.15Å; L234-T237 PolarHBondContact O-OG1 2.82Å; Y235-T237 PolarHBondContact O-N 2.79Å; Y235-T237 VanDerWaalsContact O-N 3.13Å; T237-K378 PolarHBondContact O-NZ 3.04Å
238	H	98.1	Very high	97.4	Very high	32 Å²	32	50.6 Å²	50.6	15%	0.148	25%	0.248	C	C	.	.	H	α-helix	trans	-104.3	-33.2	-170.3	-59.2	75.9	0	0	0	114	L234 Y235 K378 A379 L391 L395	L234-H238 WeakPolarHBondContact O-CB 3.37Å; L234-H238 PolarHBondContact O-N 3.43Å; L234-H238 PolarHBondContact O-ND1 3.49Å; Y235-H238 PolarHBondContact O-N 3.16Å; H238-K378 WeakPolarHBondContact O-CA 3.47Å; H238-A379 PolarHBondContact O-N 3.31Å; H238-L391 HydrophobicContact CB-CD1 3.75Å; H238-L391 HydrophobicContact CB-CD2 3.9Å; H238-L391 HydrophobicContact CB-CG 3.74Å; H238-L395 HydrophobicContact CB-CD1 3.84Å
239	A	98.4	Very high	97.4	Very high	4 Å²	4	53 Å²	53	3%	0.033	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-81.1	152	-174	0	0	0	0	0	112.1	Y235 H243 L244 L385	Y235-A239 HydrophobicContact CD1-CB 4.03Å; Y235-A239 HydrophobicContact CG-CB 4.27Å; Y235-A239 WeakPolarHBondContact O-CB 3.49Å; Y235-A239 PolarHBondContact O-N 3.2Å; A239-H243 HydrophobicContact CB-CB 4.28Å; A239-L244 HydrophobicContact CB-CG 4.39Å; A239-L385 HydrophobicContact CB-CD2 3.62Å
240	C	98.3	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.			trans	-66.2	156.8	171.5	67.4	0	0	0	0	111.8	E242 H243 L244 M330 K378 A379	C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 2.86Å; C240-H243 PolarHBondContact O-N 3.33Å; C240-L244 PolarHBondContact O-N 3.12Å; C240-M330 VanDerWaalsContact SG-SD 3.62Å; C240-K378 HydrophobicContact CB-CB 4.11Å; C240-A379 PolarHBondContact N-O 3Å
241	K	97.9	Very high	97.7	Very high	115 Å²	115	50.5 Å²	50.5	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-59	-35.6	-177.9	71.7	-175.5	178	178	0	113.1	H243 L244 E245	K241-H243 VanDerWaalsContact C-N 3.34Å; K241-H243 PolarHBondContact O-N 3.18Å; K241-L244 PolarHBondContact O-N 2.84Å; K241-E245 WeakPolarHBondContact O-CB 3.39Å; K241-E245 WeakPolarHBondContact O-CG 3.44Å; K241-E245 PolarHBondContact O-N 3.18Å
242	E	98	Very high	97.8	Very high	28 Å²	28	58 Å²	58	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-42.2	-178.2	-69	78.5	-176.9	0	0	110.8	C240 A246 M330 D333 Q373 F429	C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 2.86Å; E242-A246 WeakPolarHBondContact O-CB 3.49Å; E242-A246 PolarHBondContact O-N 3.45Å; E242-M330 HydrophobicContact CB-CE 4.18Å; E242-M330 HydrophobicContact CB-SD 4.42Å; E242-D333 HydrophobicContact CB-CB 4.3Å; E242-D333 HydrophobicContact CG-CB 4.46Å; E242-Q373 PolarHBondContact OE2-NE2 3.43Å; E242-F429 HydrophobicContact CB-CE2 4.22Å; E242-F429 VanDerWaalsContact CD-CE2 3.48Å; E242-F429 HydrophobicContact CG-CD2 4.25Å; E242-F429 HydrophobicContact CG-CE2 3.81Å
243	H	98.6	Very high	97.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-51.4	173.2	-179.4	-81.7	0	0	0	111	Y235 A239 C240 K241 E245 A246 F247 L325 P329 M330 L385	Y235-H243 AromaticContact CD1-CE1 3.91Å; Y235-H243 AromaticContact CD2-CE1 3.64Å; Y235-H243 AromaticContact CE1-CE1 3.82Å; Y235-H243 AromaticContact CE2-CE1 3.56Å; Y235-H243 AromaticContact CG-CE1 3.83Å; Y235-H243 AromaticContact CZ-CE1 3.64Å; A239-H243 HydrophobicContact CB-CB 4.28Å; C240-H243 PolarHBondContact O-N 3.33Å; K241-H243 VanDerWaalsContact C-N 3.34Å; K241-H243 PolarHBondContact O-N 3.18Å; H243-E245 VanDerWaalsContact C-N 3.32Å; H243-E245 PolarHBondContact O-N 3.21Å; H243-A246 PolarHBondContact O-N 2.81Å; H243-F247 AromaticContact CE1-CD2 3.96Å; H243-F247 VanDerWaalsContact O-CB 3.23Å; H243-F247 WeakPolarHBondContact O-CB 3.38Å; H243-F247 PolarHBondContact O-N 3.24Å; H243-L325 PolarHBondContact NE2-O 2.9Å; H243-P329 VanDerWaalsContact CD2-CB 3.45Å; H243-P329 WeakPolarHBondContact CD2-CB 3.34Å; H243-M330 HydrophobicContact CB-SD 3.82Å; H243-L385 WeakPolarHBondContact CD2-CD1 3.37Å
244	L	98.3	Very high	97.9	Very high	35 Å²	35	53.6 Å²	53.6	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-41.1	-179.1	-71.1	173.1	0	0	0	112.9	A239 C240 K241 R248	A239-L244 HydrophobicContact CB-CG 4.39Å; C240-L244 PolarHBondContact O-N 3.12Å; K241-L244 PolarHBondContact O-N 2.84Å; L244-R248 WeakPolarHBondContact O-CG 3.39Å; L244-R248 PolarHBondContact O-N 2.79Å
245	E	98.1	Very high	97.9	Very high	112 Å²	112	53.5 Å²	53.5	52%	0.523	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-46.1	177.4	-74	175.8	-176.8	0	0	111.8	K241 H243 L249	K241-E245 WeakPolarHBondContact O-CB 3.39Å; K241-E245 WeakPolarHBondContact O-CG 3.44Å; K241-E245 PolarHBondContact O-N 3.18Å; H243-E245 VanDerWaalsContact C-N 3.32Å; H243-E245 PolarHBondContact O-N 3.21Å; E245-L249 WeakPolarHBondContact O-CG 3.46Å
246	A	98.2	Very high	98	Very high	5 Å²	5	53.7 Å²	53.7	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-41.9	176.5	0	0	0	0	0	111.9	E242 H243 R248 L249 L250 P329 A332	E242-A246 WeakPolarHBondContact O-CB 3.49Å; E242-A246 PolarHBondContact O-N 3.45Å; H243-A246 PolarHBondContact O-N 2.81Å; A246-R248 PolarHBondContact O-N 2.93Å; A246-L249 WeakPolarHBondContact O-CA 3.44Å; A246-L249 WeakPolarHBondContact O-CB 3.41Å; A246-L249 PolarHBondContact O-N 2.79Å; A246-L250 WeakPolarHBondContact O-CG 3.19Å; A246-L250 PolarHBondContact O-N 3.43Å; A246-P329 HydrophobicContact CB-CB 3.96Å; A246-P329 WeakPolarHBondContact CB-O 3.26Å; A246-A332 HydrophobicContact CB-CB 3.97Å
247	F	98.4	Very high	98.1	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-44.3	-179	-163.3	-97.1	0	0	0	112.2	Y228 R232 Y235 H243 L249 L250 E251 Y256 L325 P329	Y228-F247 HydrophobicContact CD2-CZ 4.36Å; Y228-F247 HydrophobicContact CE1-CZ 4.47Å; Y228-F247 HydrophobicContact CE2-CE1 4.33Å; Y228-F247 HydrophobicContact CE2-CE2 4.3Å; Y228-F247 AromaticContact CE2-CZ 3.52Å; Y228-F247 HydrophobicContact CE2-CZ 3.52Å; Y228-F247 AromaticContact CZ-CE1 3.91Å; Y228-F247 AromaticContact CZ-CZ 3.56Å; Y228-F247 WeakPolarHBondContact OH-CE1 3.19Å; Y228-F247 WeakPolarHBondContact OH-CZ 3.31Å; R232-F247 HydrophobicContact CG-CE1 4.16Å; Y235-F247 HydrophobicContact CD2-CZ 4.47Å; Y235-F247 HydrophobicContact CE2-CD2 4.26Å; Y235-F247 AromaticContact CE2-CE2 3.87Å; Y235-F247 HydrophobicContact CE2-CE2 3.87Å; Y235-F247 AromaticContact CE2-CZ 3.99Å; Y235-F247 HydrophobicContact CE2-CZ 3.99Å; H243-F247 AromaticContact CE1-CD2 3.96Å; H243-F247 VanDerWaalsContact O-CB 3.23Å; H243-F247 WeakPolarHBondContact O-CB 3.38Å; H243-F247 PolarHBondContact O-N 3.24Å; F247-L249 PolarHBondContact O-N 3.46Å; F247-L250 WeakPolarHBondContact O-CB 3.18Å; F247-L250 PolarHBondContact O-N 3.06Å; F247-L250 VanDerWaalsContact O-N 3.15Å; F247-E251 HydrophobicContact CD1-CG 4.19Å; F247-E251 HydrophobicContact CE1-CG 4.05Å; F247-E251 PolarHBondContact O-N 2.86Å; F247-Y256 HydrophobicContact CD2-CD1 4.45Å; F247-Y256 AromaticContact CE2-CD1 3.94Å; F247-Y256 HydrophobicContact CE2-CD1 3.94Å; F247-Y256 HydrophobicContact CE2-CE1 4.31Å; F247-Y256 HydrophobicContact CZ-CD1 4.4Å; F247-L325 HydrophobicContact CE2-CD2 3.83Å; F247-L325 HydrophobicContact CZ-CD2 4.32Å; F247-P329 HydrophobicContact CD2-CG 4.2Å
248	R	98.3	Very high	98.2	Very high	160 Å²	160	48 Å²	48	60%	0.604	23%	0.234	S	C	*	.	H	α-helix	trans	-59.3	-34.3	174.4	-70.4	172.5	-170.1	149.6	4.3	112.9	L244 A246 K252	L244-R248 WeakPolarHBondContact O-CG 3.39Å; L244-R248 PolarHBondContact O-N 2.79Å; A246-R248 PolarHBondContact O-N 2.93Å; R248-K252 WeakPolarHBondContact O-CB 3.38Å; R248-K252 PolarHBondContact O-N 3.02Å
249	L	98.4	Very high	98.2	Very high	53 Å²	53	51 Å²	51	28%	0.277	25%	0.251	S	S	.	.	H	α-helix	trans	-76	-36.3	178.8	-63.8	165.7	0	0	0	110.8	E245 A246 F247 K252 H253 F270	E245-L249 WeakPolarHBondContact O-CG 3.46Å; A246-L249 WeakPolarHBondContact O-CA 3.44Å; A246-L249 WeakPolarHBondContact O-CB 3.41Å; A246-L249 PolarHBondContact O-N 2.79Å; F247-L249 PolarHBondContact O-N 3.46Å; L249-K252 PolarHBondContact O-N 3.12Å; L249-H253 WeakPolarHBondContact O-CB 3.44Å; L249-H253 PolarHBondContact O-CD2 3.05Å; L249-H253 VanDerWaalsContact O-CD2 3.23Å; L249-H253 PolarHBondContact O-N 3.12Å; L249-F270 HydrophobicContact CB-CE2 4.16Å; L249-F270 HydrophobicContact CB-CZ 3.89Å
250	L	98.6	Very high	98.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-40.1	173.3	-68.3	164.5	0	0	0	111.8	A246 F247 K252 H253 C254 G255 Y256 F270 V328 P329	A246-L250 WeakPolarHBondContact O-CG 3.19Å; A246-L250 PolarHBondContact O-N 3.43Å; F247-L250 WeakPolarHBondContact O-CB 3.18Å; F247-L250 PolarHBondContact O-N 3.06Å; F247-L250 VanDerWaalsContact O-N 3.15Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 2.88Å; L250-H253 PolarHBondContact O-N 2.89Å; L250-C254 HydrophobicContact CD2-CB 4.05Å; L250-C254 CarbonylContact O-C 3.55Å; L250-C254 WeakPolarHBondContact O-CA 3.49Å; L250-C254 WeakPolarHBondContact O-CB 3.11Å; L250-C254 PolarHBondContact O-N 3.31Å; L250-G255 PolarHBondContact O-N 3.1Å; L250-Y256 HydrophobicContact CB-CD1 4.02Å; L250-Y256 HydrophobicContact CB-CD2 3.7Å; L250-Y256 HydrophobicContact CB-CE1 4.2Å; L250-Y256 HydrophobicContact CB-CE2 3.89Å; L250-Y256 HydrophobicContact CB-CG 3.79Å; L250-Y256 HydrophobicContact CD1-CE1 4.07Å; L250-Y256 HydrophobicContact CD1-CE2 4.44Å; L250-Y256 HydrophobicContact CD2-CD2 4.48Å; L250-Y256 HydrophobicContact CD2-CE2 3.93Å; L250-Y256 HydrophobicContact CG-CE2 4.3Å; L250-Y256 PolarHBondContact O-N 2.97Å; L250-F270 HydrophobicContact CD2-CD1 3.61Å; L250-F270 HydrophobicContact CD2-CE1 3.5Å; L250-F270 HydrophobicContact CD2-CG 4.43Å; L250-F270 HydrophobicContact CD2-CZ 4.24Å; L250-F270 HydrophobicContact CG-CE1 4.03Å; L250-F270 HydrophobicContact CG-CZ 4.45Å; L250-V328 HydrophobicContact CD1-CG1 3.84Å; L250-V328 HydrophobicContact CD2-CG1 3.87Å; L250-P329 HydrophobicContact CD1-CB 4.1Å; L250-P329 HydrophobicContact CD1-CG 3.78Å
251	E	98.4	Very high	98.2	Very high	58 Å²	58	54.2 Å²	54.2	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-57.8	-42.1	171.1	-73.9	-173.4	140.8	0	0	111.2	Y228 R232 F247 Y256	Y228-E251 VanDerWaalsContact OH-CG 3.24Å; Y228-E251 WeakPolarHBondContact OH-CG 3.44Å; Y228-E251 PolarHBondContact OH-OE1 3.11Å; R232-E251 IonicContact CZ-OE1 3.49Å; R232-E251 IonicContact NE-OE1 3.68Å; R232-E251 PolarHBondContact NE-OE1 2.86Å; R232-E251 IonicContact NH2-OE1 3.58Å; R232-E251 IonicContact NH2-OE2 3.16Å; F247-E251 HydrophobicContact CD1-CG 4.19Å; F247-E251 HydrophobicContact CE1-CG 4.05Å; F247-E251 PolarHBondContact O-N 2.86Å; E251-Y256 WeakPolarHBondContact CA-O 3.34Å
252	K	98.1	Very high	98.2	Very high	158 Å²	158	48.8 Å²	48.8	69%	0.687	24%	0.244	S	C	*	.	H	α-helix	trans	-76.8	-35.4	-176.9	-173.2	175.9	174.9	-172.4	0	114.1	R248 L249 L250	R248-K252 WeakPolarHBondContact O-CB 3.38Å; R248-K252 PolarHBondContact O-N 3.02Å; L249-K252 PolarHBondContact O-N 3.12Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 2.88Å
253	H	97.8	Very high	98.3	Very high	112 Å²	112	48.5 Å²	48.5	52%	0.519	24%	0.243	S	C	.	.	H	α-helix	trans	-118.8	-19.4	-165	-63.6	-65.5	0	0	0	114.7	L249 L250 F270	L249-H253 WeakPolarHBondContact O-CB 3.44Å; L249-H253 PolarHBondContact O-CD2 3.05Å; L249-H253 VanDerWaalsContact O-CD2 3.23Å; L249-H253 PolarHBondContact O-N 3.12Å; L250-H253 PolarHBondContact O-N 2.89Å; H253-F270 HydrophobicContact CB-CD2 4.27Å; H253-F270 HydrophobicContact CB-CE2 4.42Å
254	C	98	Very high	98.3	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.047	24%	0.243	C	C	.	.	S	Bend	trans	-121.2	8.9	-171.8	-60.9	0	0	0	0	113.5	L250 Y256 V267 F270	L250-C254 HydrophobicContact CD2-CB 4.05Å; L250-C254 CarbonylContact O-C 3.55Å; L250-C254 WeakPolarHBondContact O-CA 3.49Å; L250-C254 WeakPolarHBondContact O-CB 3.11Å; L250-C254 PolarHBondContact O-N 3.31Å; C254-Y256 VanDerWaalsContact C-N 3.31Å; C254-Y256 HydrophobicContact CB-CD2 3.9Å; C254-Y256 HydrophobicContact CB-CE2 4.05Å; C254-Y256 PolarHBondContact O-N 3.42Å; C254-V267 HydrophobicContact CB-CG2 4.17Å; C254-F270 WeakPolarHBondContact SG-CB 3.5Å; C254-F270 WeakPolarHBondContact SG-CG 3.36Å
255	G	96.9	Very high	98.3	Very high	34 Å²	34	48.7 Å²	48.7	35%	0.351	24%	0.243	S	C	.	.			trans	71.7	23.6	177.1	0	0	0	0	0	113.9	L250 S257 N260	L250-G255 PolarHBondContact O-N 3.1Å; G255-S257 PolarHBondContact O-N 2.82Å; G255-N260 PolarHBondContact O-ND2 2.99Å
256	Y	98.6	Very high	98.3	Very high	6 Å²	6	45.2 Å²	45.2	2%	0.024	23%	0.228	C	C	.	.			trans	-66.2	115.3	170.8	-81	-128.8	0	0	0	108.8	Y228 F247 L250 E251 C254 P262 V267 L324 L325 V328	Y228-Y256 HydrophobicContact CE2-CD1 4.25Å; F247-Y256 HydrophobicContact CD2-CD1 4.45Å; F247-Y256 AromaticContact CE2-CD1 3.94Å; F247-Y256 HydrophobicContact CE2-CD1 3.94Å; F247-Y256 HydrophobicContact CE2-CE1 4.31Å; F247-Y256 HydrophobicContact CZ-CD1 4.4Å; L250-Y256 HydrophobicContact CB-CD1 4.02Å; L250-Y256 HydrophobicContact CB-CD2 3.7Å; L250-Y256 HydrophobicContact CB-CE1 4.2Å; L250-Y256 HydrophobicContact CB-CE2 3.89Å; L250-Y256 HydrophobicContact CB-CG 3.79Å; L250-Y256 HydrophobicContact CD1-CE1 4.07Å; L250-Y256 HydrophobicContact CD1-CE2 4.44Å; L250-Y256 HydrophobicContact CD2-CD2 4.48Å; L250-Y256 HydrophobicContact CD2-CE2 3.93Å; L250-Y256 HydrophobicContact CG-CE2 4.3Å; L250-Y256 PolarHBondContact O-N 2.97Å; E251-Y256 WeakPolarHBondContact CA-O 3.34Å; C254-Y256 VanDerWaalsContact C-N 3.31Å; C254-Y256 HydrophobicContact CB-CD2 3.9Å; C254-Y256 HydrophobicContact CB-CE2 4.05Å; C254-Y256 PolarHBondContact O-N 3.42Å; Y256-P262 HydrophobicContact CD1-CG 4.28Å; Y256-P262 HydrophobicContact CD2-CB 3.74Å; Y256-P262 HydrophobicContact CD2-CG 3.15Å; Y256-P262 HydrophobicContact CE1-CG 4.38Å; Y256-P262 HydrophobicContact CE2-CB 3.55Å; Y256-P262 HydrophobicContact CE2-CG 3.29Å; Y256-P262 HydrophobicContact CG-CG 3.68Å; Y256-V267 HydrophobicContact CE2-CG2 3.92Å; Y256-L324 HydrophobicContact CE1-CB 4.4Å; Y256-L324 WeakPolarHBondContact CE1-O 3.42Å; Y256-L324 WeakPolarHBondContact OH-CA 3.21Å; Y256-L324 WeakPolarHBondContact OH-CB 3.39Å; Y256-L324 PolarHBondContact OH-O 3.39Å; Y256-L325 HydrophobicContact CD1-CD2 4.18Å; Y256-L325 HydrophobicContact CE1-CD2 4.03Å; Y256-V328 WeakPolarHBondContact OH-CG1 3.35Å
257	S	98.4	Very high	98.3	Very high	36 Å²	36	45 Å²	45	25%	0.252	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-157.5	161.3	176	86.4	0	0	0	0	109.3	W224 G255 D259 N260	W224-S257 PolarHBondContact NE1-O 2.66Å; G255-S257 PolarHBondContact O-N 2.82Å; S257-D259 PolarHBondContact O-N 3.47Å; S257-D259 VanDerWaalsContact O-N 3.16Å; S257-D259 PolarHBondContact OG-N 2.89Å; S257-N260 PolarHBondContact O-N 2.87Å; S257-N260 VanDerWaalsContact O-O 3.12Å; S257-N260 WeakPolarHBondContact OG-CB 3.31Å; S257-N260 PolarHBondContact OG-N 2.95Å
258	P	98	Very high	98.4	Very high	44 Å²	44	45.1 Å²	45.1	29%	0.286	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.3	174.7	23.3	-33.6	0	0	0	113.4	R225 Y228	R225-P258 VanDerWaalsContact CA-O 3.23Å; R225-P258 WeakPolarHBondContact CA-O 3.49Å; R225-P258 WeakPolarHBondContact CB-O 3.42Å; R225-P258 HydrophobicContact CG-CB 3.97Å; R225-P258 WeakPolarHBondContact CG-O 3.29Å; Y228-P258 HydrophobicContact CD1-CB 4.1Å
259	D	97.9	Very high	98.4	Very high	96 Å²	96	43.8 Å²	43.8	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	6.3	-173.7	-60.6	-56.5	0	0	0	113.6	R225 S257	R225-D259 IonicContact CZ-OD1 3.32Å; R225-D259 IonicContact NE-OD1 3.18Å; R225-D259 PolarHBondContact NE-OD1 3.08Å; R225-D259 IonicContact NH2-OD1 2.75Å; R225-D259 PolarHBondContact NH2-OD1 3.43Å; S257-D259 PolarHBondContact O-N 3.47Å; S257-D259 VanDerWaalsContact O-N 3.16Å; S257-D259 PolarHBondContact OG-N 2.89Å
260	N	98.3	Very high	98.4	Very high	70 Å²	70	42.1 Å²	42.1	37%	0.374	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-147.4	123.6	-178.1	-179.5	71.3	0	0	0	111.3	W224 G255 S257 P262	W224-N260 PolarHBondContact NE1-O 2.85Å; G255-N260 PolarHBondContact O-ND2 2.99Å; S257-N260 PolarHBondContact O-N 2.87Å; S257-N260 VanDerWaalsContact O-O 3.12Å; S257-N260 WeakPolarHBondContact OG-CB 3.31Å; S257-N260 PolarHBondContact OG-N 2.95Å; N260-P262 WeakPolarHBondContact O-CD 3.32Å
261	I	98.8	Very high	98.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-79.6	120.4	169.3	-60.4	168.9	0	0	0	108.2	Y216 E220 I221 W224 I306 L324	Y216-I261 HydrophobicContact CD1-CD1 3.74Å; Y216-I261 HydrophobicContact CD2-CB 3.65Å; Y216-I261 HydrophobicContact CD2-CD1 4.04Å; Y216-I261 HydrophobicContact CD2-CG1 4.4Å; Y216-I261 HydrophobicContact CD2-CG2 3.88Å; Y216-I261 HydrophobicContact CE1-CD1 4.23Å; Y216-I261 HydrophobicContact CE1-CG2 4.34Å; Y216-I261 HydrophobicContact CE2-CB 3.78Å; Y216-I261 HydrophobicContact CE2-CD1 4.5Å; Y216-I261 HydrophobicContact CE2-CG2 3.45Å; Y216-I261 VanDerWaalsContact CE2-CG2 3.45Å; Y216-I261 HydrophobicContact CG-CB 4.18Å; Y216-I261 HydrophobicContact CG-CD1 3.63Å; Y216-I261 HydrophobicContact CG-CG1 4.45Å; Y216-I261 HydrophobicContact CG-CG2 4.48Å; E220-I261 HydrophobicContact CB-CD1 4.36Å; I221-I261 HydrophobicContact CG1-CD1 4.33Å; W224-I261 HydrophobicContact CB-CD1 3.87Å; W224-I261 HydrophobicContact CB-CG1 3.56Å; W224-I261 HydrophobicContact CD2-CG1 3.8Å; W224-I261 HydrophobicContact CE3-CG1 4.15Å; W224-I261 HydrophobicContact CE3-CG2 4.38Å; W224-I261 HydrophobicContact CG-CD1 4.37Å; W224-I261 HydrophobicContact CG-CG1 3.52Å; I261-I306 HydrophobicContact CD1-CD1 3.86Å; I261-L324 HydrophobicContact CG2-CD1 4.21Å
262	P	98.6	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-58.4	141.5	178.5	-24.2	33.2	0	0	0	112.9	W224 Y256 N260 V267 L324	W224-P262 HydrophobicContact CH2-CG 4.2Å; W224-P262 VanDerWaalsContact CZ2-CD 3.44Å; W224-P262 HydrophobicContact CZ2-CG 4.1Å; Y256-P262 HydrophobicContact CD1-CG 4.28Å; Y256-P262 HydrophobicContact CD2-CB 3.74Å; Y256-P262 HydrophobicContact CD2-CG 3.15Å; Y256-P262 HydrophobicContact CE1-CG 4.38Å; Y256-P262 HydrophobicContact CE2-CB 3.55Å; Y256-P262 HydrophobicContact CE2-CG 3.29Å; Y256-P262 HydrophobicContact CG-CG 3.68Å; N260-P262 WeakPolarHBondContact O-CD 3.32Å; P262-V267 HydrophobicContact CB-CG2 3.85Å; P262-L324 HydrophobicContact CB-CD1 4.14Å; P262-L324 HydrophobicContact CG-CD1 4.23Å
263	Q	98.7	Very high	98.4	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.103	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-87.8	133.2	176.4	-63.4	-66.9	-45.1	0	0	110.3	R213 V214 E265 D266 V267	R213-Q263 HydrophobicContact CG-CB 4.43Å; R213-Q263 HydrophobicContact CG-CG 4.32Å; V214-Q263 PolarHBondContact O-NE2 2.98Å; Q263-E265 PolarHBondContact O-N 2.93Å; Q263-E265 VanDerWaalsContact O-N 3.13Å; Q263-D266 PolarHBondContact O-N 2.75Å; Q263-V267 PolarHBondContact O-N 3.15Å
264	L	98.7	Very high	98.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-56.7	-34.8	-174.9	-61.6	-162.7	0	0	0	113.3	I211 D266 V267 S268 L279 C302 Q304 L324	I211-L264 HydrophobicContact CB-CB 4.47Å; I211-L264 HydrophobicContact CD1-CB 3.91Å; I211-L264 HydrophobicContact CG2-CB 3.9Å; I211-L264 HydrophobicContact CG2-CD1 4.46Å; L264-D266 VanDerWaalsContact C-N 3.34Å; L264-D266 PolarHBondContact O-N 3.34Å; L264-V267 PolarHBondContact O-N 2.95Å; L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 3.44Å; L264-L279 HydrophobicContact CB-CD1 4.23Å; L264-L279 HydrophobicContact CD2-CD1 3.95Å; L264-C302 HydrophobicContact CD1-CB 3.99Å; L264-C302 VanDerWaalsContact CD2-SG 3.54Å; L264-Q304 HydrophobicContact CD1-CG 3.3Å; L264-Q304 HydrophobicContact CG-CG 3.77Å; L264-L324 HydrophobicContact CD2-CD2 3.83Å
265	E	98.6	Very high	98.4	Very high	38 Å²	38	44.9 Å²	44.9	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-41.7	177.5	178	57.3	-155.4	0	0	112.4	P210 I211 Q263 R269	P210-E265 WeakPolarHBondContact CA-OE2 3.4Å; I211-E265 HydrophobicContact CB-CB 4.13Å; I211-E265 PolarHBondContact N-OE2 3.06Å; Q263-E265 PolarHBondContact O-N 2.93Å; Q263-E265 VanDerWaalsContact O-N 3.13Å; E265-R269 WeakPolarHBondContact O-CG 3.31Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 VanDerWaalsContact O-N 3.12Å; E265-R269 WeakPolarHBondContact OE1-CD 3.35Å; E265-R269 IonicContact OE1-NE 3.58Å
266	D	98.7	Very high	98.4	Very high	38 Å²	38	44.7 Å²	44.7	20%	0.203	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-41.6	-179.4	-64	-34.9	0	0	0	110.9	R213 Q263 L264 R269 F270	R213-D266 IonicContact CZ-OD1 3.7Å; R213-D266 IonicContact CZ-OD2 3.87Å; R213-D266 VanDerWaalsContact CZ-OD2 3.26Å; R213-D266 IonicContact NH1-OD2 3.65Å; R213-D266 PolarHBondContact NH1-OD2 3.4Å; R213-D266 IonicContact NH2-OD1 2.82Å; R213-D266 PolarHBondContact NH2-OD1 2.84Å; R213-D266 IonicContact NH2-OD2 2.77Å; R213-D266 PolarHBondContact NH2-OD2 3.29Å; Q263-D266 PolarHBondContact O-N 2.75Å; L264-D266 VanDerWaalsContact C-N 3.34Å; L264-D266 PolarHBondContact O-N 3.34Å; D266-R269 IonicContact OD1-CZ 3.72Å; D266-R269 IonicContact OD1-NH2 3.8Å; D266-R269 PolarHBondContact OD1-NH2 3.35Å; D266-F270 PolarHBondContact O-N 3.12Å; D266-F270 VanDerWaalsContact O-N 3.13Å
267	V	98.8	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-41.6	176.8	-178	0	0	0	0	111.5	C254 Y256 P262 Q263 L264 R269 F270 L271 L279 L324 V328	C254-V267 HydrophobicContact CB-CG2 4.17Å; Y256-V267 HydrophobicContact CE2-CG2 3.92Å; P262-V267 HydrophobicContact CB-CG2 3.85Å; Q263-V267 PolarHBondContact O-N 3.15Å; L264-V267 PolarHBondContact O-N 2.95Å; V267-R269 PolarHBondContact O-N 3.32Å; V267-F270 WeakPolarHBondContact O-CB 3.28Å; V267-F270 PolarHBondContact O-N 3.34Å; V267-L271 HydrophobicContact CG1-CD1 4.28Å; V267-L271 HydrophobicContact CG1-CG 4.46Å; V267-L271 WeakPolarHBondContact O-CG 3.27Å; V267-L271 PolarHBondContact O-N 3.27Å; V267-L279 HydrophobicContact CB-CD1 3.89Å; V267-L279 HydrophobicContact CG1-CD1 3.71Å; V267-L324 HydrophobicContact CG2-CD2 4.24Å; V267-V328 HydrophobicContact CG1-CB 4.31Å; V267-V328 HydrophobicContact CG1-CG1 3.39Å; V267-V328 HydrophobicContact CG1-CG2 3.9Å
268	S	98.8	Very high	98.4	Very high	11 Å²	11	43.9 Å²	43.9	8%	0.077	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-44.9	178.1	-173	0	0	0	0	111.5	L264 L271 K272 Q278 L279	L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 3.44Å; S268-L271 PolarHBondContact O-N 3.37Å; S268-K272 WeakPolarHBondContact O-CB 3.27Å; S268-K272 PolarHBondContact O-N 3.42Å; S268-Q278 WeakPolarHBondContact OG-CB 3.37Å; S268-L279 PolarHBondContact OG-N 3.34Å
269	R	98.7	Very high	98.5	Very high	132 Å²	132	41.9 Å²	41.9	50%	0.498	20%	0.201	S	C	.	.	H	α-helix	trans	-61.9	-44.3	174.9	-71.3	-173.9	-64.1	165.4	-0.9	111.9	E265 D266 V267 K272 E273	E265-R269 WeakPolarHBondContact O-CG 3.31Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 VanDerWaalsContact O-N 3.12Å; E265-R269 WeakPolarHBondContact OE1-CD 3.35Å; E265-R269 IonicContact OE1-NE 3.58Å; D266-R269 IonicContact OD1-CZ 3.72Å; D266-R269 IonicContact OD1-NH2 3.8Å; D266-R269 PolarHBondContact OD1-NH2 3.35Å; V267-R269 PolarHBondContact O-N 3.32Å; R269-K272 PolarHBondContact O-N 2.65Å; R269-E273 WeakPolarHBondContact O-CG 3.43Å; R269-E273 PolarHBondContact O-N 3.08Å; R269-E273 VanDerWaalsContact O-N 3.12Å
270	F	98.8	Very high	98.4	Very high	19 Å²	19	37.6 Å²	37.6	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-48.8	175.9	170.6	-94.5	0	0	0	112.6	L249 L250 H253 C254 D266 V267 K272 E273 R274 A332	L249-F270 HydrophobicContact CB-CE2 4.16Å; L249-F270 HydrophobicContact CB-CZ 3.89Å; L250-F270 HydrophobicContact CD2-CD1 3.61Å; L250-F270 HydrophobicContact CD2-CE1 3.5Å; L250-F270 HydrophobicContact CD2-CG 4.43Å; L250-F270 HydrophobicContact CD2-CZ 4.24Å; L250-F270 HydrophobicContact CG-CE1 4.03Å; L250-F270 HydrophobicContact CG-CZ 4.45Å; H253-F270 HydrophobicContact CB-CD2 4.27Å; H253-F270 HydrophobicContact CB-CE2 4.42Å; C254-F270 WeakPolarHBondContact SG-CB 3.5Å; C254-F270 WeakPolarHBondContact SG-CG 3.36Å; D266-F270 PolarHBondContact O-N 3.12Å; D266-F270 VanDerWaalsContact O-N 3.13Å; V267-F270 WeakPolarHBondContact O-CB 3.28Å; V267-F270 PolarHBondContact O-N 3.34Å; F270-K272 PolarHBondContact O-N 3.48Å; F270-E273 PolarHBondContact O-N 3.01Å; F270-R274 HydrophobicContact CD1-CG 4.46Å; F270-R274 HydrophobicContact CD2-CG 4.4Å; F270-R274 HydrophobicContact CE1-CG 4.19Å; F270-R274 HydrophobicContact CE2-CG 4.14Å; F270-R274 HydrophobicContact CZ-CG 4.04Å; F270-R274 VanDerWaalsContact CZ-NH1 3.27Å; F270-R274 WeakPolarHBondContact O-CG 3.26Å; F270-R274 PolarHBondContact O-N 3.18Å; F270-A332 HydrophobicContact CE1-CB 3.95Å
271	L	98.8	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-38.3	177.3	-73.3	176.6	0	0	0	111.5	V267 S268 E273 R274 T275 G276 F277 L279 V328 L331 A332	V267-L271 HydrophobicContact CG1-CD1 4.28Å; V267-L271 HydrophobicContact CG1-CG 4.46Å; V267-L271 WeakPolarHBondContact O-CG 3.27Å; V267-L271 PolarHBondContact O-N 3.27Å; S268-L271 PolarHBondContact O-N 3.37Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 2.81Å; L271-R274 PolarHBondContact O-N 2.98Å; L271-R274 VanDerWaalsContact O-N 3.08Å; L271-T275 PolarHBondContact O-N 2.77Å; L271-T275 PolarHBondContact O-OG1 2.97Å; L271-G276 PolarHBondContact O-N 3.41Å; L271-F277 CarbonylContact C-O 3.49Å; L271-F277 HydrophobicContact CB-CB 4.15Å; L271-F277 WeakPolarHBondContact CB-O 3.48Å; L271-L279 HydrophobicContact CD1-CD2 3.68Å; L271-L279 HydrophobicContact CD1-CG 4.08Å; L271-V328 HydrophobicContact CD1-CG1 4.31Å; L271-V328 HydrophobicContact CD1-CG2 4.42Å; L271-V328 HydrophobicContact CD2-CG1 4.39Å; L271-L331 HydrophobicContact CD1-CB 4.4Å; L271-L331 HydrophobicContact CD2-CB 3.98Å; L271-A332 HydrophobicContact CD2-CB 3.87Å
272	K	98.3	Very high	98	Very high	124 Å²	124	34.8 Å²	34.8	54%	0.539	16%	0.163	S	C	.	.	H	α-helix	trans	-64.8	-41	-178.1	-171.6	171.2	-176	166.8	0	111.5	S268 R269 F270 R274 G276 F277	S268-K272 WeakPolarHBondContact O-CB 3.27Å; S268-K272 PolarHBondContact O-N 3.42Å; R269-K272 PolarHBondContact O-N 2.65Å; F270-K272 PolarHBondContact O-N 3.48Å; K272-R274 VanDerWaalsContact C-N 3.28Å; K272-R274 PolarHBondContact O-N 3.1Å; K272-G276 VanDerWaalsContact O-CA 3.27Å; K272-G276 WeakPolarHBondContact O-CA 3.4Å; K272-G276 PolarHBondContact O-N 3.06Å; K272-G276 VanDerWaalsContact O-N 3.1Å; K272-F277 WeakPolarHBondContact CA-O 3.36Å; K272-F277 PolarHBondContact N-O 2.72Å
273	E	98	Very high	97.5	Very high	168 Å²	168	35 Å²	35	79%	0.785	17%	0.165	S	C	*	.	H	α-helix	trans	-68	-27	175	-69.8	177.3	-173.1	0	0	113	R269 F270 L271	R269-E273 WeakPolarHBondContact O-CG 3.43Å; R269-E273 PolarHBondContact O-N 3.08Å; R269-E273 VanDerWaalsContact O-N 3.12Å; F270-E273 PolarHBondContact O-N 3.01Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 2.81Å
274	R	97.3	Very high	96.8	Very high	87 Å²	87	34 Å²	34	33%	0.328	16%	0.161	S	C	.	.	H	α-helix	trans	-89.6	-48.8	-173.8	-69.3	-66.1	-65	-89.3	-1.4	113.9	F270 L271 K272	F270-R274 HydrophobicContact CD1-CG 4.46Å; F270-R274 HydrophobicContact CD2-CG 4.4Å; F270-R274 HydrophobicContact CE1-CG 4.19Å; F270-R274 HydrophobicContact CE2-CG 4.14Å; F270-R274 HydrophobicContact CZ-CG 4.04Å; F270-R274 VanDerWaalsContact CZ-NH1 3.27Å; F270-R274 WeakPolarHBondContact O-CG 3.26Å; F270-R274 PolarHBondContact O-N 3.18Å; L271-R274 PolarHBondContact O-N 2.98Å; L271-R274 VanDerWaalsContact O-N 3.08Å; K272-R274 VanDerWaalsContact C-N 3.28Å; K272-R274 PolarHBondContact O-N 3.1Å
275	T	98.3	Very high	96.1	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-134.5	-3.3	-172.4	60.3	0	0	0	0	112.7	L271 F277 R298 L331 A332 R334 A337	L271-T275 PolarHBondContact O-N 2.77Å; L271-T275 PolarHBondContact O-OG1 2.97Å; T275-F277 PolarHBondContact O-N 3.47Å; T275-F277 PolarHBondContact OG1-N 3.2Å; T275-R298 WeakPolarHBondContact O-CD 3.49Å; T275-R298 PolarHBondContact O-NH1 3.11Å; T275-L331 VanDerWaalsContact CG2-O 3.3Å; T275-L331 WeakPolarHBondContact CG2-O 3.12Å; T275-L331 PolarHBondContact OG1-O 2.96Å; T275-A332 WeakPolarHBondContact CG2-O 3.43Å; T275-R334 HydrophobicContact CG2-CG 4.21Å; T275-A337 HydrophobicContact CG2-CB 3.91Å
276	G	98.1	Very high	95.6	Very high	30 Å²	30	35.8 Å²	35.8	31%	0.309	17%	0.171	S	C	.	.	S	Bend	trans	77.8	2.2	-172	0	0	0	0	0	113.4	L271 K272 R298	L271-G276 PolarHBondContact O-N 3.41Å; K272-G276 VanDerWaalsContact O-CA 3.27Å; K272-G276 WeakPolarHBondContact O-CA 3.4Å; K272-G276 PolarHBondContact O-N 3.06Å; K272-G276 VanDerWaalsContact O-N 3.1Å; G276-R298 WeakPolarHBondContact O-CB 3.4Å
277	F	98.6	Very high	95.1	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.169	C	C	.	.			trans	-69.8	146.1	171.3	-98	-100.9	0	0	0	111.5	L271 K272 T275 L295 R298 F300 L331 A337	L271-F277 CarbonylContact C-O 3.49Å; L271-F277 HydrophobicContact CB-CB 4.15Å; L271-F277 WeakPolarHBondContact CB-O 3.48Å; K272-F277 WeakPolarHBondContact CA-O 3.36Å; K272-F277 PolarHBondContact N-O 2.72Å; T275-F277 PolarHBondContact O-N 3.47Å; T275-F277 PolarHBondContact OG1-N 3.2Å; F277-L295 HydrophobicContact CE1-CD2 4.29Å; F277-R298 CarbonylContact C-O 3.55Å; F277-R298 WeakPolarHBondContact CA-O 3.4Å; F277-R298 HydrophobicContact CB-CB 4.42Å; F277-R298 HydrophobicContact CD1-CB 4.18Å; F277-R298 WeakPolarHBondContact CD1-O 3.34Å; F277-R298 HydrophobicContact CD2-CB 3.53Å; F277-R298 HydrophobicContact CD2-CG 3.84Å; F277-R298 HydrophobicContact CE1-CB 4.32Å; F277-R298 HydrophobicContact CE2-CB 3.66Å; F277-R298 HydrophobicContact CE2-CG 3.65Å; F277-R298 HydrophobicContact CG-CB 3.8Å; F277-R298 HydrophobicContact CZ-CB 4.08Å; F277-R298 HydrophobicContact CZ-CG 4.28Å; F277-F300 HydrophobicContact CD1-CB 4.3Å; F277-L331 HydrophobicContact CD1-CD1 4.15Å; F277-L331 HydrophobicContact CD1-CD2 3.87Å; F277-L331 HydrophobicContact CD1-CG 4.45Å; F277-L331 HydrophobicContact CE1-CD2 3.71Å; F277-L331 HydrophobicContact CE2-CD2 4.49Å; F277-L331 HydrophobicContact CG-CD2 4.33Å; F277-L331 HydrophobicContact CZ-CD2 4.04Å; F277-A337 HydrophobicContact CD2-CB 3.73Å; F277-A337 HydrophobicContact CE2-CB 3.73Å; F277-A337 WeakPolarHBondContact CE2-O 3.39Å
278	Q	98.4	Very high	94.8	Very high	25 Å²	25	36.8 Å²	36.8	12%	0.117	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151	172.9	62.4	-176.5	16.1	0	0	109.8	S268 R298 V299 F300	S268-Q278 WeakPolarHBondContact OG-CB 3.37Å; Q278-R298 PolarHBondContact N-O 2.88Å; Q278-V299 HydrophobicContact CG-CG2 3.86Å; Q278-V299 WeakPolarHBondContact O-CA 3.33Å; Q278-F300 PolarHBondContact O-N 3.07Å
279	L	98.5	Very high	94.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	151.5	177.4	-55	-175.2	0	0	0	110.4	I211 L264 V267 S268 L271 F300 C302 V328	I211-L279 HydrophobicContact CD1-CB 4.08Å; I211-L279 WeakPolarHBondContact CD1-O 3.34Å; L264-L279 HydrophobicContact CB-CD1 4.23Å; L264-L279 HydrophobicContact CD2-CD1 3.95Å; V267-L279 HydrophobicContact CB-CD1 3.89Å; V267-L279 HydrophobicContact CG1-CD1 3.71Å; S268-L279 PolarHBondContact OG-N 3.34Å; L271-L279 HydrophobicContact CD1-CD2 3.68Å; L271-L279 HydrophobicContact CD1-CG 4.08Å; L279-F300 CarbonylContact C-O 3.11Å; L279-F300 WeakPolarHBondContact CA-O 3.18Å; L279-F300 HydrophobicContact CD2-CB 4.06Å; L279-F300 HydrophobicContact CD2-CD1 4.02Å; L279-C302 HydrophobicContact CB-CB 4.43Å; L279-C302 HydrophobicContact CD2-CB 4.45Å; L279-V328 HydrophobicContact CD1-CG2 4.35Å; L279-V328 HydrophobicContact CD2-CG2 4.37Å
280	R	97.8	Very high	94.2	Very high	6 Å²	6	31.2 Å²	31.2	2%	0.023	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.4	170.7	178.6	175.1	-179.5	99.7	13.7	108.9	D166 Y205 V282 V299 F300 Q301 C302	D166-R280 IonicContact OD1-CZ 3.46Å; D166-R280 IonicContact OD1-NH1 2.89Å; D166-R280 PolarHBondContact OD1-NH1 3.16Å; D166-R280 IonicContact OD1-NH2 2.65Å; D166-R280 PolarHBondContact OD1-NH2 2.77Å; Y205-R280 HydrophobicContact CD1-CG 4Å; Y205-R280 HydrophobicContact CE1-CG 3.86Å; Y205-R280 PolarHBondContact O-NH2 2.7Å; R280-V282 PolarHBondContact O-N 3.12Å; R280-V299 HydrophobicContact CB-CG1 3.65Å; R280-F300 PolarHBondContact N-O 3.25Å; R280-Q301 CarbonylContact O-C 3.43Å; R280-Q301 WeakPolarHBondContact O-CA 3.24Å; R280-C302 PolarHBondContact O-N 2.91Å
281	P	96.3	Very high	94	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134	178.2	29.1	-36.3	0	0	0	110.7	A202 Y205 I211 C302	A202-P281 HydrophobicContact CB-CB 4.22Å; Y205-P281 HydrophobicContact CD1-CG 3.85Å; Y205-P281 HydrophobicContact CD2-CG 3.85Å; Y205-P281 HydrophobicContact CG-CG 3.48Å; Y205-P281 VanDerWaalsContact CG-CG 3.48Å; I211-P281 HydrophobicContact CG2-CB 4.28Å; I211-P281 HydrophobicContact CG2-CG 4Å; P281-C302 WeakPolarHBondContact CA-O 3.35Å
282	V	92.3	Very high	93.9	Very high	10 Å²	10	32.2 Å²	32.2	6%	0.061	17%	0.166	C	C	.	.			trans	-128.7	143.5	176	75.4	0	0	0	0	110.7	A202 R280 G284 L286 Q301 C302 T303	A202-V282 VanDerWaalsContact CB-C 3.46Å; R280-V282 PolarHBondContact O-N 3.12Å; V282-G284 WeakPolarHBondContact CG2-O 3.39Å; V282-L286 HydrophobicContact CG2-CD1 3.96Å; V282-L286 HydrophobicContact CG2-CD2 3.74Å; V282-L286 HydrophobicContact CG2-CG 3.72Å; V282-Q301 HydrophobicContact CB-CB 4.12Å; V282-Q301 HydrophobicContact CG1-CB 4.09Å; V282-C302 PolarHBondContact N-O 3.02Å; V282-T303 HydrophobicContact CG1-CG2 3.91Å
283	A	86.7	Confident	93.8	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.041	14%	0.142	C	C	.	.	S	Bend	trans	-77.3	-25.6	-176.6	0	0	0	0	0	113	A202 F203	A202-A283 HydrophobicContact CB-CB 4.1Å; F203-A283 HydrophobicContact CD2-CB 4.44Å; F203-A283 HydrophobicContact CE1-CB 4.4Å; F203-A283 HydrophobicContact CE2-CB 3.77Å; F203-A283 HydrophobicContact CZ-CB 3.74Å
284	G	85.3	Confident	93.8	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	10%	0.104	C	C	.	.	S	Bend	trans	-174.9	-160.3	-176.3	0	0	0	0	0	112	V282 L286	V282-G284 WeakPolarHBondContact CG2-O 3.39Å; G284-L286 PolarHBondContact O-N 2.92Å
285	L	83.5	Confident	93.9	Very high	62 Å²	62	14.5 Å²	14.5	33%	0.325	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.4	-177.8	-71.3	176.4	0	0	0	111.1	V172 T173 K174 F175 P318	V172-L285 CarbonylContact C-O 3.54Å; V172-L285 VanDerWaalsContact CA-O 3.23Å; V172-L285 WeakPolarHBondContact CA-O 2.96Å; T173-L285 PolarHBondContact N-O 3.48Å; T173-L285 PolarHBondContact OG1-O 2.77Å; K174-L285 HydrophobicContact CB-CD1 4.26Å; K174-L285 HydrophobicContact CD-CD1 4.37Å; K174-L285 PolarHBondContact O-N 3.16Å; F175-L285 HydrophobicContact CD2-CD1 3.98Å; F175-L285 HydrophobicContact CD2-CG 4.45Å; F175-L285 HydrophobicContact CE2-CD1 3.99Å; L285-P318 HydrophobicContact CD2-CG 3.67Å; L285-P318 HydrophobicContact CG-CG 4.45Å
286	L	87.5	Confident	93.9	Very high	15 Å²	15	13.9 Å²	13.9	8%	0.079	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	169.9	173.8	-61.5	177.3	0	0	0	111.6	L171 V172 T173 V282 G284 D290 F291 Q301	L171-L286 CarbonylContact O-C 3.02Å; L171-L286 WeakPolarHBondContact O-CA 3.16Å; V172-L286 HydrophobicContact CG2-CD2 4.22Å; T173-L286 PolarHBondContact OG1-O 3.13Å; V282-L286 HydrophobicContact CG2-CD1 3.96Å; V282-L286 HydrophobicContact CG2-CD2 3.74Å; V282-L286 HydrophobicContact CG2-CG 3.72Å; G284-L286 PolarHBondContact O-N 2.92Å; L286-D290 HydrophobicContact CB-CB 4.34Å; L286-F291 HydrophobicContact CB-CB 4.28Å; L286-Q301 HydrophobicContact CD1-CB 4.2Å; L286-Q301 HydrophobicContact CD1-CG 3.67Å
287	S	89.1	Confident	93.9	Very high	21 Å²	21	12.5 Å²	12.5	15%	0.147	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-57.1	143.8	162.1	80	0	0	0	0	110	L171 R289 D290 F291	L171-S287 PolarHBondContact O-N 2.81Å; S287-R289 PolarHBondContact O-N 2.81Å; S287-D290 PolarHBondContact O-N 2.82Å; S287-D290 VanDerWaalsContact O-N 3.11Å; S287-D290 WeakPolarHBondContact OG-CB 3.34Å; S287-D290 VanDerWaalsContact OG-CG 3.23Å; S287-D290 PolarHBondContact OG-N 3.08Å; S287-D290 VanDerWaalsContact OG-N 3.12Å; S287-D290 PolarHBondContact OG-OD2 3Å; S287-F291 PolarHBondContact O-N 2.84Å
288	A	91.3	Very high	93.9	Very high	38 Å²	38	15.5 Å²	15.5	31%	0.314	8%	0.082	S	C	.	.	H	α-helix	trans	-54.9	-37.7	177.9	0	0	0	0	0	111.5	L292 I355	A288-L292 VanDerWaalsContact O-CB 3.23Å; A288-L292 WeakPolarHBondContact O-CB 3.49Å; A288-L292 WeakPolarHBondContact O-CG 3.01Å; A288-L292 PolarHBondContact O-N 2.96Å; A288-I355 HydrophobicContact CB-CG2 3.88Å
289	R	93.6	Very high	93.9	Very high	20 Å²	20	14.4 Å²	14.4	8%	0.075	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-49.2	176.8	-176.2	175.7	-67.6	-79.5	5.8	112.3	H104 S287 A293 A350 S351 D352 I355	H104-R289 PolarHBondContact CE1-NE 2.82Å; S287-R289 PolarHBondContact O-N 2.81Å; R289-A293 WeakPolarHBondContact O-CB 3.44Å; R289-A293 PolarHBondContact O-N 3.36Å; R289-A350 PolarHBondContact NH1-O 2.88Å; R289-A350 PolarHBondContact NH2-O 3.46Å; R289-S351 PolarHBondContact NH2-O 2.8Å; R289-D352 IonicContact CZ-OD1 2.77Å; R289-D352 IonicContact NE-OD1 3.59Å; R289-D352 IonicContact NH2-OD1 3.7Å; R289-D352 PolarHBondContact NH2-OD1 3.34Å; R289-I355 HydrophobicContact CB-CD1 4.5Å; R289-I355 HydrophobicContact CB-CG1 4.5Å; R289-I355 HydrophobicContact CB-CG2 4.35Å; R289-I355 HydrophobicContact CG-CD1 4.43Å
290	D	92	Very high	93.9	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.032	8%	0.078	C	C	.	.	H	α-helix	trans	-68.7	-41.7	-179.3	-73.5	-38.5	0	0	0	112.4	C168 L171 L286 S287 A293 S294	C168-D290 HydrophobicContact CB-CB 4.1Å; C168-D290 WeakPolarHBondContact O-CB 3.36Å; L171-D290 WeakPolarHBondContact CD1-OD2 3.48Å; L286-D290 HydrophobicContact CB-CB 4.34Å; S287-D290 PolarHBondContact O-N 2.82Å; S287-D290 VanDerWaalsContact O-N 3.11Å; S287-D290 WeakPolarHBondContact OG-CB 3.34Å; S287-D290 VanDerWaalsContact OG-CG 3.23Å; S287-D290 PolarHBondContact OG-N 3.08Å; S287-D290 VanDerWaalsContact OG-N 3.12Å; S287-D290 PolarHBondContact OG-OD2 3Å; D290-A293 PolarHBondContact O-N 3.17Å; D290-S294 PolarHBondContact O-N 3.3Å; D290-S294 VanDerWaalsContact O-N 3.1Å; D290-S294 PolarHBondContact O-OG 3.25Å
291	F	95.4	Very high	93.8	Very high	37 Å²	37	14.2 Å²	14.2	16%	0.162	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-53.2	177	-179.3	-94.4	0	0	0	110.9	L286 S287 A293 S294 L295 F300 Q301 Y362	L286-F291 HydrophobicContact CB-CB 4.28Å; S287-F291 PolarHBondContact O-N 2.84Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 2.83Å; F291-S294 VanDerWaalsContact O-CB 3.24Å; F291-S294 WeakPolarHBondContact O-CB 3.41Å; F291-S294 PolarHBondContact O-N 2.85Å; F291-L295 HydrophobicContact CE1-CD1 4.21Å; F291-L295 PolarHBondContact O-N 3.34Å; F291-F300 HydrophobicContact CE2-CE2 4.21Å; F291-F300 HydrophobicContact CZ-CD2 4.18Å; F291-F300 AromaticContact CZ-CE2 3.68Å; F291-F300 HydrophobicContact CZ-CE2 3.68Å; F291-F300 HydrophobicContact CZ-CZ 4.32Å; F291-Q301 HydrophobicContact CD2-CB 3.9Å; F291-Q301 HydrophobicContact CD2-CG 4.15Å; F291-Q301 HydrophobicContact CE2-CB 4Å; F291-Y362 HydrophobicContact CE1-CD2 4.43Å; F291-Y362 AromaticContact CE1-CE1 3.98Å; F291-Y362 HydrophobicContact CE1-CE1 3.98Å; F291-Y362 AromaticContact CE1-CE2 3.67Å; F291-Y362 HydrophobicContact CE1-CE2 3.67Å; F291-Y362 AromaticContact CE1-CZ 3.45Å; F291-Y362 VanDerWaalsContact CE1-CZ 3.45Å; F291-Y362 WeakPolarHBondContact CE1-OH 3.06Å; F291-Y362 HydrophobicContact CZ-CE2 4.35Å; F291-Y362 AromaticContact CZ-CZ 3.9Å; F291-Y362 WeakPolarHBondContact CZ-OH 3.08Å
292	L	96.7	Very high	93.8	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-41.3	178.3	-68.6	172.1	0	0	0	111.3	A288 S294 L295 G344 L358 Y362	A288-L292 VanDerWaalsContact O-CB 3.23Å; A288-L292 WeakPolarHBondContact O-CB 3.49Å; A288-L292 WeakPolarHBondContact O-CG 3.01Å; A288-L292 PolarHBondContact O-N 2.96Å; L292-S294 PolarHBondContact O-N 2.77Å; L292-L295 HydrophobicContact CD2-CD1 4.09Å; L292-L295 WeakPolarHBondContact O-CB 3.28Å; L292-L295 PolarHBondContact O-N 2.91Å; L292-G344 WeakPolarHBondContact O-CA 3.23Å; L292-L358 HydrophobicContact CD1-CB 3.97Å; L292-Y362 HydrophobicContact CD2-CD2 4.12Å; L292-Y362 HydrophobicContact CD2-CG 4.33Å
293	A	96.4	Very high	94	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.033	7%	0.073	C	C	.	.	H	α-helix	trans	-58.3	-33.6	176.4	0	0	0	0	0	112.4	P159 R289 D290 F291 L295 A296 Y297 S347 L348	P159-A293 HydrophobicContact CG-CB 4.17Å; R289-A293 WeakPolarHBondContact O-CB 3.44Å; R289-A293 PolarHBondContact O-N 3.36Å; D290-A293 PolarHBondContact O-N 3.17Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 2.83Å; A293-L295 VanDerWaalsContact C-N 3.31Å; A293-L295 PolarHBondContact O-N 3.19Å; A293-A296 VanDerWaalsContact O-CB 3.27Å; A293-A296 WeakPolarHBondContact O-CB 3.36Å; A293-A296 PolarHBondContact O-N 3.26Å; A293-Y297 WeakPolarHBondContact O-CD2 3.39Å; A293-S347 PolarHBondContact N-OG 3.34Å; A293-L348 HydrophobicContact CB-CD2 3.79Å
294	S	97.5	Very high	94.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-38.8	175.9	-55.5	0	0	0	0	111.8	D290 F291 L292 A296 Y297 V299 Q301	D290-S294 PolarHBondContact O-N 3.3Å; D290-S294 VanDerWaalsContact O-N 3.1Å; D290-S294 PolarHBondContact O-OG 3.25Å; F291-S294 VanDerWaalsContact O-CB 3.24Å; F291-S294 WeakPolarHBondContact O-CB 3.41Å; F291-S294 PolarHBondContact O-N 2.85Å; L292-S294 PolarHBondContact O-N 2.77Å; S294-A296 PolarHBondContact O-N 2.92Å; S294-Y297 PolarHBondContact O-N 2.92Å; S294-V299 CarbonylContact C-O 3.56Å; S294-V299 VanDerWaalsContact CB-O 3.31Å; S294-V299 WeakPolarHBondContact CB-O 3.26Å; S294-V299 PolarHBondContact O-N 2.89Å; S294-V299 VanDerWaalsContact O-O 3.13Å; S294-Q301 PolarHBondContact OG-NE2 3.2Å
295	L	98.3	Very high	95	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-28.8	178.8	-55.3	-179.5	0	0	0	112.6	F277 F291 L292 A293 Y297 R298 V299 F300 S340 Q341 Y362	F277-L295 HydrophobicContact CE1-CD2 4.29Å; F291-L295 HydrophobicContact CE1-CD1 4.21Å; F291-L295 PolarHBondContact O-N 3.34Å; L292-L295 HydrophobicContact CD2-CD1 4.09Å; L292-L295 WeakPolarHBondContact O-CB 3.28Å; L292-L295 PolarHBondContact O-N 2.91Å; A293-L295 VanDerWaalsContact C-N 3.31Å; A293-L295 PolarHBondContact O-N 3.19Å; L295-Y297 PolarHBondContact O-N 3.26Å; L295-R298 PolarHBondContact O-N 3.27Å; L295-V299 PolarHBondContact N-O 3.48Å; L295-F300 HydrophobicContact CD2-CD2 4.07Å; L295-S340 WeakPolarHBondContact CB-O 3.48Å; L295-Q341 WeakPolarHBondContact O-CA 3.27Å; L295-Y362 HydrophobicContact CD1-CD2 4.1Å; L295-Y362 HydrophobicContact CD1-CE2 3.88Å
296	A	98.1	Very high	95.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.2	-30.5	177.2	0	0	0	0	0	112.3	A293 S294 R298 Q341 L345 L348	A293-A296 VanDerWaalsContact O-CB 3.27Å; A293-A296 WeakPolarHBondContact O-CB 3.36Å; A293-A296 PolarHBondContact O-N 3.26Å; S294-A296 PolarHBondContact O-N 2.92Å; A296-R298 VanDerWaalsContact C-N 3.34Å; A296-Q341 PolarHBondContact O-NE2 2.86Å; A296-L345 HydrophobicContact CB-CD2 4.02Å; A296-L345 HydrophobicContact CB-CG 4.21Å; A296-L348 HydrophobicContact CB-CD1 3.86Å; A296-L348 HydrophobicContact CB-CD2 4.09Å; A296-L348 HydrophobicContact CB-CG 4.12Å
297	Y	98.4	Very high	96	Very high	2 Å²	2	11 Å²	11	1%	0.008	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9.1	179	-65.3	-87.4	0	0	0	113.1	P159 K160 I162 L165 A293 S294 L295 V299 Y451 V458	P159-Y297 HydrophobicContact CB-CE2 4.22Å; P159-Y297 HydrophobicContact CG-CE2 3.88Å; P159-Y297 PolarHBondContact O-OH 2.97Å; K160-Y297 VanDerWaalsContact CA-OH 3.24Å; K160-Y297 WeakPolarHBondContact CA-OH 3.06Å; K160-Y297 PolarHBondContact N-OH 3.05Å; K160-Y297 PolarHBondContact O-OH 2.9Å; I162-Y297 HydrophobicContact CB-CD1 3.76Å; I162-Y297 HydrophobicContact CB-CE1 4.45Å; I162-Y297 HydrophobicContact CB-CG 4.37Å; I162-Y297 HydrophobicContact CG1-CD1 4.2Å; I162-Y297 HydrophobicContact CG1-CG 4.36Å; L165-Y297 HydrophobicContact CD1-CD2 4.25Å; L165-Y297 HydrophobicContact CD1-CG 4.29Å; L165-Y297 HydrophobicContact CD2-CD2 4.25Å; L165-Y297 HydrophobicContact CG-CD2 4.45Å; A293-Y297 WeakPolarHBondContact O-CD2 3.39Å; S294-Y297 PolarHBondContact O-N 2.92Å; L295-Y297 PolarHBondContact O-N 3.26Å; Y297-V299 PolarHBondContact O-N 3.1Å; Y297-Y451 HydrophobicContact CD1-CD2 4.39Å; Y297-Y451 AromaticContact CD1-CE2 3.78Å; Y297-Y451 HydrophobicContact CD1-CE2 3.78Å; Y297-Y451 HydrophobicContact CE1-CE2 4.37Å; Y297-Y451 HydrophobicContact CG-CE2 4.43Å; Y297-V458 HydrophobicContact CE1-CG2 3.9Å; Y297-V458 HydrophobicContact CE2-CG2 4.18Å; Y297-V458 VanDerWaalsContact OH-CG2 3.24Å; Y297-V458 WeakPolarHBondContact OH-CG2 3.23Å
298	R	98.6	Very high	96.3	Very high	63 Å²	63	11.3 Å²	11.3	24%	0.238	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.4	-168.4	-54.8	-170.5	178.8	161.5	9.4	111.6	T275 G276 F277 Q278 L295 A296 Q341	T275-R298 WeakPolarHBondContact O-CD 3.49Å; T275-R298 PolarHBondContact O-NH1 3.11Å; G276-R298 WeakPolarHBondContact O-CB 3.4Å; F277-R298 CarbonylContact C-O 3.55Å; F277-R298 WeakPolarHBondContact CA-O 3.4Å; F277-R298 HydrophobicContact CB-CB 4.42Å; F277-R298 HydrophobicContact CD1-CB 4.18Å; F277-R298 WeakPolarHBondContact CD1-O 3.34Å; F277-R298 HydrophobicContact CD2-CB 3.53Å; F277-R298 HydrophobicContact CD2-CG 3.84Å; F277-R298 HydrophobicContact CE1-CB 4.32Å; F277-R298 HydrophobicContact CE2-CB 3.66Å; F277-R298 HydrophobicContact CE2-CG 3.65Å; F277-R298 HydrophobicContact CG-CB 3.8Å; F277-R298 HydrophobicContact CZ-CB 4.08Å; F277-R298 HydrophobicContact CZ-CG 4.28Å; Q278-R298 PolarHBondContact N-O 2.88Å; L295-R298 PolarHBondContact O-N 3.27Å; A296-R298 VanDerWaalsContact C-N 3.34Å; R298-Q341 HydrophobicContact CG-CB 4.37Å; R298-Q341 HydrophobicContact CG-CG 4.17Å; R298-Q341 VanDerWaalsContact CZ-OE1 3.29Å
299	V	98.6	Very high	96.4	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.018	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.8	175	-179.9	0	0	0	0	108.5	I162 L165 Q278 R280 S294 L295 Y297	I162-V299 HydrophobicContact CD1-CG2 3.76Å; I162-V299 HydrophobicContact CG1-CG2 3.91Å; L165-V299 HydrophobicContact CD1-CB 3.74Å; L165-V299 HydrophobicContact CD1-CG1 4Å; L165-V299 HydrophobicContact CD1-CG2 3.68Å; Q278-V299 HydrophobicContact CG-CG2 3.86Å; Q278-V299 WeakPolarHBondContact O-CA 3.33Å; R280-V299 HydrophobicContact CB-CG1 3.65Å; S294-V299 CarbonylContact C-O 3.56Å; S294-V299 VanDerWaalsContact CB-O 3.31Å; S294-V299 WeakPolarHBondContact CB-O 3.26Å; S294-V299 PolarHBondContact O-N 2.89Å; S294-V299 VanDerWaalsContact O-O 3.13Å; L295-V299 PolarHBondContact N-O 3.48Å; Y297-V299 PolarHBondContact O-N 3.1Å
300	F	98.4	Very high	96.4	Very high	3 Å²	3	14 Å²	14	1%	0.013	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.4	174.1	-174.6	-95.1	0	0	0	109.5	F277 Q278 L279 R280 F291 L295 C302 E323 H327 L331	F277-F300 HydrophobicContact CD1-CB 4.3Å; Q278-F300 PolarHBondContact O-N 3.07Å; L279-F300 CarbonylContact C-O 3.11Å; L279-F300 WeakPolarHBondContact CA-O 3.18Å; L279-F300 HydrophobicContact CD2-CB 4.06Å; L279-F300 HydrophobicContact CD2-CD1 4.02Å; R280-F300 PolarHBondContact N-O 3.25Å; F291-F300 HydrophobicContact CE2-CE2 4.21Å; F291-F300 HydrophobicContact CZ-CD2 4.18Å; F291-F300 AromaticContact CZ-CE2 3.68Å; F291-F300 HydrophobicContact CZ-CE2 3.68Å; F291-F300 HydrophobicContact CZ-CZ 4.32Å; L295-F300 HydrophobicContact CD2-CD2 4.07Å; F300-C302 HydrophobicContact CD1-CB 4.07Å; F300-C302 HydrophobicContact CE1-CB 4.26Å; F300-E323 WeakPolarHBondContact CE1-OE2 3.41Å; F300-E323 VanDerWaalsContact CZ-OE2 3.26Å; F300-E323 WeakPolarHBondContact CZ-OE2 3.47Å; F300-H327 HydrophobicContact CE1-CB 4.07Å; F300-H327 HydrophobicContact CE2-CB 4.14Å; F300-H327 AromaticContact CE2-CG 3.74Å; F300-H327 AromaticContact CE2-ND1 3.78Å; F300-H327 HydrophobicContact CZ-CB 3.73Å; F300-H327 AromaticContact CZ-CD2 3.33Å; F300-H327 WeakPolarHBondContact CZ-CD2 3.35Å; F300-H327 AromaticContact CZ-CG 3.37Å; F300-H327 AromaticContact CZ-ND1 3.87Å; F300-H327 AromaticContact CZ-NE2 3.79Å; F300-L331 HydrophobicContact CB-CD1 3.74Å; F300-L331 HydrophobicContact CD1-CD1 4.25Å; F300-L331 HydrophobicContact CD2-CD1 3.82Å; F300-L331 HydrophobicContact CG-CD1 3.66Å
301	Q	96.6	Very high	96.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.9	178.3	-59.3	-78.8	4.5	0	0	107.6	R280 V282 L286 F291 S294	R280-Q301 CarbonylContact O-C 3.43Å; R280-Q301 WeakPolarHBondContact O-CA 3.24Å; V282-Q301 HydrophobicContact CB-CB 4.12Å; V282-Q301 HydrophobicContact CG1-CB 4.09Å; L286-Q301 HydrophobicContact CD1-CB 4.2Å; L286-Q301 HydrophobicContact CD1-CG 3.67Å; F291-Q301 HydrophobicContact CD2-CB 3.9Å; F291-Q301 HydrophobicContact CD2-CG 4.15Å; F291-Q301 HydrophobicContact CE2-CB 4Å; S294-Q301 PolarHBondContact OG-NE2 3.2Å
302	C	96.6	Very high	95.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.5	-165.8	-176.2	0	0	0	0	109.9	L264 L279 R280 P281 V282 F300 E323	L264-C302 HydrophobicContact CD1-CB 3.99Å; L264-C302 VanDerWaalsContact CD2-SG 3.54Å; L279-C302 HydrophobicContact CB-CB 4.43Å; L279-C302 HydrophobicContact CD2-CB 4.45Å; R280-C302 PolarHBondContact O-N 2.91Å; P281-C302 WeakPolarHBondContact CA-O 3.35Å; V282-C302 PolarHBondContact N-O 3.02Å; F300-C302 HydrophobicContact CD1-CB 4.07Å; F300-C302 HydrophobicContact CE1-CB 4.26Å; C302-E323 WeakPolarHBondContact SG-CB 3.21Å
303	T	95.9	Very high	94.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.101	C	C	.	.			trans	-73.3	156.8	173.5	64.3	0	0	0	0	111.1	V282 Y305 P318	V282-T303 HydrophobicContact CG1-CG2 3.91Å; T303-Y305 HydrophobicContact CG2-CE1 3.69Å; T303-P318 WeakPolarHBondContact CB-O 3.36Å; T303-P318 VanDerWaalsContact CG2-O 3.25Å; T303-P318 WeakPolarHBondContact CG2-O 3.47Å; T303-P318 PolarHBondContact OG1-O 3.01Å
304	Q	97.3	Very high	93.7	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.023	12%	0.123	C	C	.	.			trans	-114	-14.9	178.1	-74.5	-172.2	-93.3	0	0	113.6	I198 P212 V214 Y216 L264	I198-Q304 HydrophobicContact CG2-CB 3.49Å; I198-Q304 VanDerWaalsContact CG2-CB 3.49Å; P212-Q304 PolarHBondContact O-NE2 3.18Å; P212-Q304 VanDerWaalsContact O-NE2 3.08Å; V214-Q304 HydrophobicContact CG2-CB 4.37Å; Y216-Q304 VanDerWaalsContact CE1-O 3.31Å; Y216-Q304 WeakPolarHBondContact CE1-O 3.17Å; Y216-Q304 PolarHBondContact OH-O 3.24Å; L264-Q304 HydrophobicContact CD1-CG 3.3Å; L264-Q304 HydrophobicContact CG-CG 3.77Å
305	Y	96.1	Very high	92.8	Very high	6 Å²	6	23.5 Å²	23.5	2%	0.024	13%	0.132	C	C	.	.			trans	-77.9	157.7	178	60.9	-100.3	0	0	0	110.4	R195 T303 E317 D319 C320	R195-Y305 VanDerWaalsContact CD-CB 3.48Å; R195-Y305 VanDerWaalsContact CD-CG 3.43Å; T303-Y305 HydrophobicContact CG2-CE1 3.69Å; Y305-E317 HydrophobicContact CE2-CB 4.45Å; Y305-E317 PolarHBondContact OH-OE2 2.91Å; Y305-D319 HydrophobicContact CD2-CB 4.06Å; Y305-D319 HydrophobicContact CE2-CB 3.95Å; Y305-C320 WeakPolarHBondContact O-CB 3.48Å; Y305-C320 PolarHBondContact O-N 2.95Å
306	I	96.3	Very high	91.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.151	C	C	.	.			trans	-110.4	150.3	175	-167.9	164.2	0	0	0	110.1	Y191 E220 T223 W224 I261 V321	Y191-I306 WeakPolarHBondContact CE2-O 3.2Å; Y191-I306 PolarHBondContact OH-O 3.24Å; Y191-I306 VanDerWaalsContact OH-O 3.07Å; E220-I306 HydrophobicContact CB-CG2 3.74Å; E220-I306 HydrophobicContact CG-CG2 3.53Å; E220-I306 VanDerWaalsContact O-CD1 3.3Å; E220-I306 WeakPolarHBondContact O-CD1 3.22Å; T223-I306 HydrophobicContact CG2-CD1 4.21Å; T223-I306 HydrophobicContact CG2-CG1 4.31Å; W224-I306 HydrophobicContact CB-CD1 3.82Å; I261-I306 HydrophobicContact CD1-CD1 3.86Å; I306-V321 HydrophobicContact CD1-CG2 4.14Å; I306-V321 HydrophobicContact CG1-CG2 4.11Å
307	R	94.4	Very high	90.8	Very high	13 Å²	13	26.6 Å²	26.6	5%	0.049	15%	0.152	C	C	.	.			trans	-54.3	155.8	174.7	66.2	-169.4	65.9	-177.4	-8.3	112.1	T223 P312 D319	T223-R307 HydrophobicContact CG2-CG 3.9Å; R307-P312 WeakPolarHBondContact CD-O 3.44Å; R307-P312 PolarHBondContact NH1-O 3.29Å; R307-D319 HydrophobicContact CB-CB 4.31Å; R307-D319 VanDerWaalsContact CB-OD2 3.3Å; R307-D319 WeakPolarHBondContact CB-OD2 3.36Å; R307-D319 WeakPolarHBondContact CG-OD2 3.48Å; R307-D319 IonicContact CZ-OD1 2.75Å; R307-D319 IonicContact CZ-OD2 3.82Å; R307-D319 PolarHBondContact N-OD2 3.27Å; R307-D319 IonicContact NE-OD1 3.12Å; R307-D319 PolarHBondContact NE-OD1 3.12Å; R307-D319 IonicContact NE-OD2 3.41Å; R307-D319 PolarHBondContact NE-OD2 3.31Å; R307-D319 IonicContact NH2-OD1 3.23Å; R307-D319 PolarHBondContact NH2-OD1 2.89Å; R307-D319 IonicContact NH2-OD2 2.91Å
308	H	95.2	Very high	90.3	Very high	27 Å²	27	27.7 Å²	27.7	13%	0.125	16%	0.159	C	C	.	.			trans	-66.3	136.3	-179.3	-170	-92.7	0	0	0	112.3	P184 D188 Y191 S310 S311	P184-H308 HydrophobicContact CB-CB 4.17Å; P184-H308 HydrophobicContact CG-CB 3.97Å; D188-H308 IonicContact OD2-NE2 3.08Å; D188-H308 PolarHBondContact OD2-NE2 3.23Å; Y191-H308 HydrophobicContact CD2-CB 4.46Å; Y191-H308 AromaticContact CD2-CD2 3.69Å; Y191-H308 HydrophobicContact CE2-CB 4.07Å; Y191-H308 AromaticContact CG-CD2 3.68Å; H308-S310 PolarHBondContact CE1-OG 3.01Å; H308-S310 WeakPolarHBondContact ND1-CB 3.43Å; H308-S310 PolarHBondContact ND1-N 3.48Å; H308-S310 PolarHBondContact ND1-OG 3.39Å; H308-S310 PolarHBondContact O-N 3.34Å; H308-S310 VanDerWaalsContact O-N 3.1Å; H308-S311 CarbonylContact O-C 3.45Å; H308-S311 PolarHBondContact O-N 3.09Å
309	A	94.3	Very high	90.1	Very high	34 Å²	34	24.7 Å²	24.7	28%	0.281	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.8	-173.3	0	0	0	0	0	114.7	E219 T223 S311 P312	E219-A309 HydrophobicContact CG-CB 3.85Å; T223-A309 WeakPolarHBondContact OG1-CB 3.3Å; A309-S311 PolarHBondContact O-N 3.05Å; A309-P312 WeakPolarHBondContact O-CD 3.47Å
310	S	92.5	Very high	90	Very high	79 Å²	79	24.5 Å²	24.5	55%	0.552	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.1	174.8	72.3	0	0	0	0	113.9	H308	H308-S310 PolarHBondContact CE1-OG 3.01Å; H308-S310 WeakPolarHBondContact ND1-CB 3.43Å; H308-S310 PolarHBondContact ND1-N 3.48Å; H308-S310 PolarHBondContact ND1-OG 3.39Å; H308-S310 PolarHBondContact O-N 3.34Å; H308-S310 VanDerWaalsContact O-N 3.1Å
311	S	88.4	Confident	90	Very high	44 Å²	44	24.4 Å²	24.4	31%	0.308	15%	0.146	S	C	.	.			trans	-139	60.9	-178.9	-64.8	0	0	0	0	110.4	H308 A309 N313 H314	H308-S311 CarbonylContact O-C 3.45Å; H308-S311 PolarHBondContact O-N 3.09Å; A309-S311 PolarHBondContact O-N 3.05Å; S311-N313 PolarHBondContact O-N 3.44Å; S311-N313 VanDerWaalsContact O-N 3.12Å; S311-H314 PolarHBondContact O-N 3.41Å
312	P	85.1	Confident	90	Very high	15 Å²	15	25.3 Å²	25.3	10%	0.097	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.8	-176.9	28.1	-34.9	0	0	0	112.1	T223 V227 R307 A309	T223-P312 HydrophobicContact CG2-CB 4.14Å; V227-P312 HydrophobicContact CG2-CB 4.26Å; V227-P312 WeakPolarHBondContact CG2-O 3.16Å; R307-P312 WeakPolarHBondContact CD-O 3.44Å; R307-P312 PolarHBondContact NH1-O 3.29Å; A309-P312 WeakPolarHBondContact O-CD 3.47Å
313	N	79.2	Confident	90.1	Very high	59 Å²	59	25.7 Å²	25.7	32%	0.316	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.1	-169.8	-80.7	-1.2	0	0	0	114.5	S311 Y388	S311-N313 PolarHBondContact O-N 3.44Å; S311-N313 VanDerWaalsContact O-N 3.12Å; N313-Y388 HydrophobicContact CB-CE1 3.39Å; N313-Y388 WeakPolarHBondContact CB-OH 3.46Å; N313-Y388 PolarHBondContact ND2-OH 2.95Å
314	H	72.6	Confident	90.2	Very high	104 Å²	104	25.7 Å²	25.7	48%	0.481	15%	0.152	S	C	.	.			trans	-150.8	135.6	-177.2	172.1	74.3	0	0	0	109.3	S311	S311-H314 PolarHBondContact O-N 3.41Å
315	S	77.8	Confident	90.2	Very high	28 Å²	28	25.4 Å²	25.4	20%	0.196	15%	0.151	C	C	.	.			trans	-132.3	128.9	173.2	-173.8	0	0	0	0	108.6	E317	S315-E317 WeakPolarHBondContact CB-O 3.43Å; S315-E317 PolarHBondContact O-N 2.83Å; S315-E317 PolarHBondContact OG-N 2.97Å; S315-E317 PolarHBondContact OG-O 3.17Å
316	P	73.8	Confident	90.3	Very high	62 Å²	62	25.1 Å²	25.1	40%	0.403	15%	0.15	S	C	.	.	S	Bend	trans	-72.8	-10.9	171	30.6	-33.4	0	0	0	112.2
317	E	80.6	Confident	90.4	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.028	15%	0.15	C	C	.	.	S	Bend	trans	-120.6	147.6	-176.9	-60.5	177	-165.6	0	0	110.8	F175 L179 H183 R195 Y305 S315 D319	F175-E317 HydrophobicContact CB-CG 4.3Å; F175-E317 HydrophobicContact CD1-CG 3.94Å; F175-E317 WeakPolarHBondContact CD1-OE1 3.38Å; F175-E317 HydrophobicContact CD2-CG 3.65Å; F175-E317 HydrophobicContact CE1-CG 4.1Å; F175-E317 HydrophobicContact CE2-CG 3.83Å; F175-E317 VanDerWaalsContact CG-CD 3.46Å; F175-E317 HydrophobicContact CG-CG 3.7Å; F175-E317 VanDerWaalsContact CG-OE1 3.24Å; F175-E317 WeakPolarHBondContact CG-OE1 3.34Å; F175-E317 HydrophobicContact CZ-CG 4.05Å; L179-E317 WeakPolarHBondContact CD2-OE1 3.45Å; H183-E317 IonicContact CD2-OE1 3.89Å; H183-E317 PolarHBondContact CD2-OE1 3.1Å; H183-E317 IonicContact NE2-OE1 3.16Å; R195-E317 IonicContact CZ-OE2 2.67Å; R195-E317 IonicContact NH1-OE1 3.27Å; R195-E317 IonicContact NH1-OE2 2.75Å; R195-E317 PolarHBondContact NH1-OE2 3.49Å; R195-E317 IonicContact NH2-OE2 3.56Å; R195-E317 PolarHBondContact NH2-OE2 2.78Å; Y305-E317 HydrophobicContact CE2-CB 4.45Å; Y305-E317 PolarHBondContact OH-OE2 2.91Å; S315-E317 WeakPolarHBondContact CB-O 3.43Å; S315-E317 PolarHBondContact O-N 2.83Å; S315-E317 PolarHBondContact OG-N 2.97Å; S315-E317 PolarHBondContact OG-O 3.17Å; E317-D319 PolarHBondContact O-N 3.25Å
318	P	88.4	Confident	90.6	Very high	24 Å²	24	24.5 Å²	24.5	16%	0.156	15%	0.147	C	C	.	.			trans	-73.9	90.8	174.2	31.5	-34.3	0	0	0	109.9	L285 T303 H322	L285-P318 HydrophobicContact CD2-CG 3.67Å; L285-P318 HydrophobicContact CG-CG 4.45Å; T303-P318 WeakPolarHBondContact CB-O 3.36Å; T303-P318 VanDerWaalsContact CG2-O 3.25Å; T303-P318 WeakPolarHBondContact CG2-O 3.47Å; T303-P318 PolarHBondContact OG1-O 3.01Å; P318-H322 HydrophobicContact CB-CB 4.46Å; P318-H322 VanDerWaalsContact CB-CD2 3.44Å; P318-H322 WeakPolarHBondContact CB-CD2 3.37Å
319	D	94.8	Very high	90.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.141	C	C	.	.			trans	-82.1	174.1	174.6	77.5	-43	0	0	0	111.7	Y305 R307 E317 V321 H322 E323	Y305-D319 HydrophobicContact CD2-CB 4.06Å; Y305-D319 HydrophobicContact CE2-CB 3.95Å; R307-D319 HydrophobicContact CB-CB 4.31Å; R307-D319 VanDerWaalsContact CB-OD2 3.3Å; R307-D319 WeakPolarHBondContact CB-OD2 3.36Å; R307-D319 WeakPolarHBondContact CG-OD2 3.48Å; R307-D319 IonicContact CZ-OD1 2.75Å; R307-D319 IonicContact CZ-OD2 3.82Å; R307-D319 PolarHBondContact N-OD2 3.27Å; R307-D319 IonicContact NE-OD1 3.12Å; R307-D319 PolarHBondContact NE-OD1 3.12Å; R307-D319 IonicContact NE-OD2 3.41Å; R307-D319 PolarHBondContact NE-OD2 3.31Å; R307-D319 IonicContact NH2-OD1 3.23Å; R307-D319 PolarHBondContact NH2-OD1 2.89Å; R307-D319 IonicContact NH2-OD2 2.91Å; E317-D319 PolarHBondContact O-N 3.25Å; D319-V321 PolarHBondContact O-N 3.03Å; D319-V321 WeakPolarHBondContact OD2-CG2 3.37Å; D319-H322 WeakPolarHBondContact O-CA 3.09Å; D319-H322 WeakPolarHBondContact O-CB 3.37Å; D319-H322 PolarHBondContact O-N 3.31Å; D319-H322 PolarHBondContact OD1-N 2.89Å; D319-E323 WeakPolarHBondContact O-CG 3.25Å; D319-E323 PolarHBondContact O-N 3.14Å; D319-E323 VanDerWaalsContact O-N 3.16Å
320	C	96.8	Very high	91	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-23.3	-176.6	71	0	0	0	0	113.7	Y305 L324	Y305-C320 WeakPolarHBondContact O-CB 3.48Å; Y305-C320 PolarHBondContact O-N 2.95Å; C320-L324 HydrophobicContact CB-CD1 4.27Å; C320-L324 WeakPolarHBondContact O-CB 3.34Å; C320-L324 WeakPolarHBondContact O-CG 3.47Å; C320-L324 PolarHBondContact O-N 3.32Å
321	V	97.1	Very high	91.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-49	170.4	172.5	0	0	0	0	110.6	W224 V227 I306 D319 L325	W224-V321 HydrophobicContact CE3-CG2 3.81Å; W224-V321 HydrophobicContact CZ3-CG2 4.28Å; V227-V321 HydrophobicContact CB-CG1 4.22Å; V227-V321 HydrophobicContact CG1-CG1 3.53Å; I306-V321 HydrophobicContact CD1-CG2 4.14Å; I306-V321 HydrophobicContact CG1-CG2 4.11Å; D319-V321 PolarHBondContact O-N 3.03Å; D319-V321 WeakPolarHBondContact OD2-CG2 3.37Å; V321-L325 HydrophobicContact CG1-CD1 3.88Å; V321-L325 HydrophobicContact CG1-CG 4.47Å; V321-L325 WeakPolarHBondContact O-CB 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.3Å; V321-L325 PolarHBondContact O-N 2.96Å
322	H	97	Very high	91.8	Very high	21 Å²	21	16 Å²	16	10%	0.097	9%	0.089	C	C	.	.	I	π-helix	trans	-58.7	-48	177	175.7	83.2	0	0	0	111.8	P318 D319 G326 H327 E367 S386	P318-H322 HydrophobicContact CB-CB 4.46Å; P318-H322 VanDerWaalsContact CB-CD2 3.44Å; P318-H322 WeakPolarHBondContact CB-CD2 3.37Å; D319-H322 WeakPolarHBondContact O-CA 3.09Å; D319-H322 WeakPolarHBondContact O-CB 3.37Å; D319-H322 PolarHBondContact O-N 3.31Å; D319-H322 PolarHBondContact OD1-N 2.89Å; H322-G326 VanDerWaalsContact O-CA 3.27Å; H322-G326 WeakPolarHBondContact O-CA 3.46Å; H322-G326 PolarHBondContact O-N 2.82Å; H322-H327 AromaticContact CD2-CD2 3.81Å; H322-H327 AromaticContact CD2-NE2 3.84Å; H322-H327 AromaticContact CE1-NE2 3.97Å; H322-H327 AromaticContact NE2-CD2 3.58Å; H322-H327 AromaticContact NE2-NE2 3.16Å; H322-H327 PolarHBondContact NE2-NE2 2.82Å; H322-H327 VanDerWaalsContact NE2-NE2 3.16Å; H322-H327 PolarHBondContact O-N 3.22Å; H322-E367 IonicContact CE1-OE2 3.29Å; H322-E367 PolarHBondContact CE1-OE2 2.81Å; H322-E367 VanDerWaalsContact CE1-OE2 3.26Å; H322-E367 IonicContact NE2-OE2 2.8Å; H322-E367 PolarHBondContact NE2-OE2 2.86Å; H322-S386 PolarHBondContact ND1-OG 2.74Å
323	E	97.9	Very high	92.4	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.037	9%	0.094	C	C	.	.	I	π-helix	trans	-66	-51.2	-178.1	-47.9	-63.1	-167.5	0	0	112.4	F300 C302 D319 H327 V328	F300-E323 WeakPolarHBondContact CE1-OE2 3.41Å; F300-E323 VanDerWaalsContact CZ-OE2 3.26Å; F300-E323 WeakPolarHBondContact CZ-OE2 3.47Å; C302-E323 WeakPolarHBondContact SG-CB 3.21Å; D319-E323 WeakPolarHBondContact O-CG 3.25Å; D319-E323 PolarHBondContact O-N 3.14Å; D319-E323 VanDerWaalsContact O-N 3.16Å; E323-H327 PolarHBondContact O-N 2.88Å; E323-H327 IonicContact OE2-CD2 3.94Å; E323-H327 PolarHBondContact OE2-CD2 3.45Å; E323-H327 VanDerWaalsContact OE2-CD2 3.29Å; E323-V328 WeakPolarHBondContact O-CG2 3.45Å; E323-V328 PolarHBondContact O-N 2.89Å
324	L	98.6	Very high	93.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-77.3	-34.9	-170.9	-65.1	176	0	0	0	112.5	W224 Y256 I261 P262 L264 V267 C320 V328 P329	W224-L324 HydrophobicContact CH2-CB 3.96Å; W224-L324 HydrophobicContact CH2-CD1 4.12Å; W224-L324 HydrophobicContact CZ3-CB 4.11Å; W224-L324 HydrophobicContact CZ3-CD1 4.03Å; Y256-L324 HydrophobicContact CE1-CB 4.4Å; Y256-L324 WeakPolarHBondContact CE1-O 3.42Å; Y256-L324 WeakPolarHBondContact OH-CA 3.21Å; Y256-L324 WeakPolarHBondContact OH-CB 3.39Å; Y256-L324 PolarHBondContact OH-O 3.39Å; I261-L324 HydrophobicContact CG2-CD1 4.21Å; P262-L324 HydrophobicContact CB-CD1 4.14Å; P262-L324 HydrophobicContact CG-CD1 4.23Å; L264-L324 HydrophobicContact CD2-CD2 3.83Å; V267-L324 HydrophobicContact CG2-CD2 4.24Å; C320-L324 HydrophobicContact CB-CD1 4.27Å; C320-L324 WeakPolarHBondContact O-CB 3.34Å; C320-L324 WeakPolarHBondContact O-CG 3.47Å; C320-L324 PolarHBondContact O-N 3.32Å; L324-V328 HydrophobicContact CD2-CG2 4.14Å; L324-P329 WeakPolarHBondContact O-CD 3.35Å
325	L	98.2	Very high	94.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-93.9	-30.3	-178.1	-57	-173.3	0	0	0	113.1	W224 Y228 L231 Y235 H243 F247 Y256 V321	W224-L325 HydrophobicContact CH2-CD1 4.39Å; W224-L325 HydrophobicContact CH2-CD2 3.46Å; W224-L325 VanDerWaalsContact CH2-CD2 3.46Å; W224-L325 HydrophobicContact CH2-CG 3.84Å; W224-L325 HydrophobicContact CZ2-CD2 3.93Å; W224-L325 HydrophobicContact CZ3-CD1 4.4Å; W224-L325 HydrophobicContact CZ3-CD2 4.18Å; W224-L325 HydrophobicContact CZ3-CG 4.03Å; Y228-L325 HydrophobicContact CD2-CD1 4.43Å; Y228-L325 HydrophobicContact CD2-CD2 3.79Å; Y228-L325 HydrophobicContact CE2-CD2 4.05Å; L231-L325 HydrophobicContact CD1-CD1 3.88Å; Y235-L325 WeakPolarHBondContact OH-CB 3.42Å; H243-L325 PolarHBondContact NE2-O 2.9Å; F247-L325 HydrophobicContact CE2-CD2 3.83Å; F247-L325 HydrophobicContact CZ-CD2 4.32Å; Y256-L325 HydrophobicContact CD1-CD2 4.18Å; Y256-L325 HydrophobicContact CE1-CD2 4.03Å; V321-L325 HydrophobicContact CG1-CD1 3.88Å; V321-L325 HydrophobicContact CG1-CG 4.47Å; V321-L325 WeakPolarHBondContact O-CB 3.3Å; V321-L325 WeakPolarHBondContact O-CG 3.3Å; V321-L325 PolarHBondContact O-N 2.96Å
326	G	97.8	Very high	95.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-88.1	-68.6	178.8	0	0	0	0	0	112.8	H322	H322-G326 VanDerWaalsContact O-CA 3.27Å; H322-G326 WeakPolarHBondContact O-CA 3.46Å; H322-G326 PolarHBondContact O-N 2.82Å
327	H	98.6	Very high	96.3	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.019	7%	0.073	C	C	.	.	I	π-helix	trans	-74.6	-50.6	-170.6	-73.9	-69.6	0	0	0	114.4	F300 H322 E323 M330 L331 Y362 E367 A382	F300-H327 HydrophobicContact CE1-CB 4.07Å; F300-H327 HydrophobicContact CE2-CB 4.14Å; F300-H327 AromaticContact CE2-CG 3.74Å; F300-H327 AromaticContact CE2-ND1 3.78Å; F300-H327 HydrophobicContact CZ-CB 3.73Å; F300-H327 AromaticContact CZ-CD2 3.33Å; F300-H327 WeakPolarHBondContact CZ-CD2 3.35Å; F300-H327 AromaticContact CZ-CG 3.37Å; F300-H327 AromaticContact CZ-ND1 3.87Å; F300-H327 AromaticContact CZ-NE2 3.79Å; H322-H327 AromaticContact CD2-CD2 3.81Å; H322-H327 AromaticContact CD2-NE2 3.84Å; H322-H327 AromaticContact CE1-NE2 3.97Å; H322-H327 AromaticContact NE2-CD2 3.58Å; H322-H327 AromaticContact NE2-NE2 3.16Å; H322-H327 PolarHBondContact NE2-NE2 2.82Å; H322-H327 VanDerWaalsContact NE2-NE2 3.16Å; H322-H327 PolarHBondContact O-N 3.22Å; E323-H327 PolarHBondContact O-N 2.88Å; E323-H327 IonicContact OE2-CD2 3.94Å; E323-H327 PolarHBondContact OE2-CD2 3.45Å; E323-H327 VanDerWaalsContact OE2-CD2 3.29Å; H327-M330 PolarHBondContact O-N 3.25Å; H327-M330 VanDerWaalsContact O-N 3.09Å; H327-L331 HydrophobicContact CB-CD1 4.46Å; H327-L331 PolarHBondContact O-N 3.12Å; H327-Y362 PolarHBondContact CE1-OH 3.5Å; H327-E367 IonicContact CE1-OE1 2.7Å; H327-E367 PolarHBondContact CE1-OE1 3.23Å; H327-E367 IonicContact CE1-OE2 3.55Å; H327-E367 IonicContact NE2-OE1 2.81Å; H327-E367 PolarHBondContact NE2-OE1 2.91Å; H327-E367 VanDerWaalsContact NE2-OE1 3.13Å; H327-E367 IonicContact NE2-OE2 3.26Å; H327-A382 HydrophobicContact CB-CB 4.39Å; H327-A382 WeakPolarHBondContact CE1-CB 3.36Å; H327-A382 WeakPolarHBondContact ND1-CB 3.33Å; H327-A382 WeakPolarHBondContact NE2-CB 3.49Å
328	V	98.8	Very high	97	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-54.5	-45.6	-169.5	165.5	0	0	0	0	113.4	L250 Y256 V267 L271 L279 E323 L324 M330 L331 A332	L250-V328 HydrophobicContact CD1-CG1 3.84Å; L250-V328 HydrophobicContact CD2-CG1 3.87Å; Y256-V328 WeakPolarHBondContact OH-CG1 3.35Å; V267-V328 HydrophobicContact CG1-CB 4.31Å; V267-V328 HydrophobicContact CG1-CG1 3.39Å; V267-V328 HydrophobicContact CG1-CG2 3.9Å; L271-V328 HydrophobicContact CD1-CG1 4.31Å; L271-V328 HydrophobicContact CD1-CG2 4.42Å; L271-V328 HydrophobicContact CD2-CG1 4.39Å; L279-V328 HydrophobicContact CD1-CG2 4.35Å; L279-V328 HydrophobicContact CD2-CG2 4.37Å; E323-V328 WeakPolarHBondContact O-CG2 3.45Å; E323-V328 PolarHBondContact O-N 2.89Å; L324-V328 HydrophobicContact CD2-CG2 4.14Å; V328-M330 VanDerWaalsContact C-N 3.29Å; V328-M330 PolarHBondContact O-N 3.49Å; V328-L331 PolarHBondContact O-N 3.13Å; V328-A332 PolarHBondContact O-N 2.76Å
329	P	98.7	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.6	-41.3	179.8	-24.8	35.8	0	0	0	112.2	H243 A246 F247 L250 L324 A332	H243-P329 VanDerWaalsContact CD2-CB 3.45Å; H243-P329 WeakPolarHBondContact CD2-CB 3.34Å; A246-P329 HydrophobicContact CB-CB 3.96Å; A246-P329 WeakPolarHBondContact CB-O 3.26Å; F247-P329 HydrophobicContact CD2-CG 4.2Å; L250-P329 HydrophobicContact CD1-CB 4.1Å; L250-P329 HydrophobicContact CD1-CG 3.78Å; L324-P329 WeakPolarHBondContact O-CD 3.35Å; P329-A332 WeakPolarHBondContact O-CB 3.47Å; P329-A332 PolarHBondContact O-N 3.4Å
330	M	98.4	Very high	97.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-69.9	-35.8	179.2	-66.3	-52.8	-55.4	0	0	112.4	C240 E242 H243 H327 V328 A332 D333 F336 L385 F429	C240-M330 VanDerWaalsContact SG-SD 3.62Å; E242-M330 HydrophobicContact CB-CE 4.18Å; E242-M330 HydrophobicContact CB-SD 4.42Å; H243-M330 HydrophobicContact CB-SD 3.82Å; H327-M330 PolarHBondContact O-N 3.25Å; H327-M330 VanDerWaalsContact O-N 3.09Å; V328-M330 VanDerWaalsContact C-N 3.29Å; V328-M330 PolarHBondContact O-N 3.49Å; M330-A332 PolarHBondContact O-N 3.44Å; M330-D333 WeakPolarHBondContact O-CB 3.39Å; M330-D333 PolarHBondContact O-N 3.46Å; M330-F336 VanDerWaalsContact C-CD1 3.47Å; M330-F336 HydrophobicContact CB-CD1 3.57Å; M330-F336 HydrophobicContact CB-CD2 4.31Å; M330-F336 HydrophobicContact CB-CE1 3.49Å; M330-F336 VanDerWaalsContact CB-CE1 3.49Å; M330-F336 HydrophobicContact CB-CE2 4.26Å; M330-F336 HydrophobicContact CB-CG 3.96Å; M330-F336 HydrophobicContact CB-CZ 3.84Å; M330-F336 HydrophobicContact CE-CB 4.17Å; M330-F336 HydrophobicContact CE-CD2 3.7Å; M330-F336 HydrophobicContact CE-CE2 4.21Å; M330-F336 HydrophobicContact CE-CG 3.92Å; M330-F336 WeakPolarHBondContact O-CB 3.45Å; M330-F336 VanDerWaalsContact O-CD1 3.29Å; M330-F336 WeakPolarHBondContact O-CD1 3.37Å; M330-L385 HydrophobicContact CG-CD1 4.46Å; M330-F429 HydrophobicContact CE-CE1 4.18Å; M330-F429 HydrophobicContact CE-CE2 3.73Å; M330-F429 HydrophobicContact CE-CZ 3.38Å
331	L	98.6	Very high	97.5	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-65.8	-15.7	174.9	-66.5	175.5	0	0	0	113.7	L271 T275 F277 F300 H327 V328 D333 F336	L271-L331 HydrophobicContact CD1-CB 4.4Å; L271-L331 HydrophobicContact CD2-CB 3.98Å; T275-L331 VanDerWaalsContact CG2-O 3.3Å; T275-L331 WeakPolarHBondContact CG2-O 3.12Å; T275-L331 PolarHBondContact OG1-O 2.96Å; F277-L331 HydrophobicContact CD1-CD1 4.15Å; F277-L331 HydrophobicContact CD1-CD2 3.87Å; F277-L331 HydrophobicContact CD1-CG 4.45Å; F277-L331 HydrophobicContact CE1-CD2 3.71Å; F277-L331 HydrophobicContact CE2-CD2 4.49Å; F277-L331 HydrophobicContact CG-CD2 4.33Å; F277-L331 HydrophobicContact CZ-CD2 4.04Å; F300-L331 HydrophobicContact CB-CD1 3.74Å; F300-L331 HydrophobicContact CD1-CD1 4.25Å; F300-L331 HydrophobicContact CD2-CD1 3.82Å; F300-L331 HydrophobicContact CG-CD1 3.66Å; H327-L331 HydrophobicContact CB-CD1 4.46Å; H327-L331 PolarHBondContact O-N 3.12Å; V328-L331 PolarHBondContact O-N 3.13Å; L331-D333 VanDerWaalsContact C-N 3.35Å; L331-F336 HydrophobicContact CD2-CD1 4.28Å; L331-F336 HydrophobicContact CD2-CE1 4.18Å
332	A	98.3	Very high	97.5	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.6	172.9	0	0	0	0	0	113.4	A246 F270 L271 T275 V328 P329 M330	A246-A332 HydrophobicContact CB-CB 3.97Å; F270-A332 HydrophobicContact CE1-CB 3.95Å; L271-A332 HydrophobicContact CD2-CB 3.87Å; T275-A332 WeakPolarHBondContact CG2-O 3.43Å; V328-A332 PolarHBondContact O-N 2.76Å; P329-A332 WeakPolarHBondContact O-CB 3.47Å; P329-A332 PolarHBondContact O-N 3.4Å; M330-A332 PolarHBondContact O-N 3.44Å
333	D	97.8	Very high	97.4	Very high	38 Å²	38	20.6 Å²	20.6	20%	0.203	10%	0.095	C	C	.	.	S	Bend	trans	-83.8	137.4	169.1	175.3	-104.5	0	0	0	111.4	E242 M330 L331 T335 F336 A337	E242-D333 HydrophobicContact CB-CB 4.3Å; E242-D333 HydrophobicContact CG-CB 4.46Å; M330-D333 WeakPolarHBondContact O-CB 3.39Å; M330-D333 PolarHBondContact O-N 3.46Å; L331-D333 VanDerWaalsContact C-N 3.35Å; D333-T335 WeakPolarHBondContact OD1-CA 3.36Å; D333-T335 WeakPolarHBondContact OD1-CB 3.32Å; D333-T335 PolarHBondContact OD1-N 2.82Å; D333-F336 HydrophobicContact CB-CB 4.13Å; D333-F336 PolarHBondContact OD1-N 3.2Å; D333-A337 WeakPolarHBondContact O-CB 3.4Å; D333-A337 PolarHBondContact O-N 3.46Å
334	R	96.1	Very high	97.4	Very high	183 Å²	183	20.2 Å²	20.2	69%	0.691	9%	0.093	S	C	*	.	H	α-helix	trans	-70.1	-38	-175.6	-70	-178.1	177.1	-177.1	1	112.9	T275 Q338	T275-R334 HydrophobicContact CG2-CG 4.21Å; R334-Q338 VanDerWaalsContact O-CG 3.24Å; R334-Q338 WeakPolarHBondContact O-CG 3.43Å; R334-Q338 PolarHBondContact O-N 3.26Å; R334-Q338 VanDerWaalsContact O-N 3.07Å
335	T	95	Very high	97.3	Very high	37 Å²	37	21.5 Å²	21.5	23%	0.227	10%	0.1	C	C	.	.	H	α-helix	trans	-73.2	-43.5	-176.8	-53	0	0	0	0	109.9	D333 Q338 F339 F429 P430	D333-T335 WeakPolarHBondContact OD1-CA 3.36Å; D333-T335 WeakPolarHBondContact OD1-CB 3.32Å; D333-T335 PolarHBondContact OD1-N 2.82Å; T335-Q338 PolarHBondContact O-N 3.01Å; T335-F339 PolarHBondContact O-N 3.29Å; T335-F429 HydrophobicContact CG2-CB 3.65Å; T335-P430 HydrophobicContact CG2-CG 4.29Å
336	F	96.7	Very high	97.2	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.013	10%	0.1	C	C	.	.	H	α-helix	trans	-64	-45.3	175	-168.8	-91.9	0	0	0	111.9	M330 L331 D333 Q338 F339 S340 V366 Y380 F429	M330-F336 VanDerWaalsContact C-CD1 3.47Å; M330-F336 HydrophobicContact CB-CD1 3.57Å; M330-F336 HydrophobicContact CB-CD2 4.31Å; M330-F336 HydrophobicContact CB-CE1 3.49Å; M330-F336 VanDerWaalsContact CB-CE1 3.49Å; M330-F336 HydrophobicContact CB-CE2 4.26Å; M330-F336 HydrophobicContact CB-CG 3.96Å; M330-F336 HydrophobicContact CB-CZ 3.84Å; M330-F336 HydrophobicContact CE-CB 4.17Å; M330-F336 HydrophobicContact CE-CD2 3.7Å; M330-F336 HydrophobicContact CE-CE2 4.21Å; M330-F336 HydrophobicContact CE-CG 3.92Å; M330-F336 WeakPolarHBondContact O-CB 3.45Å; M330-F336 VanDerWaalsContact O-CD1 3.29Å; M330-F336 WeakPolarHBondContact O-CD1 3.37Å; L331-F336 HydrophobicContact CD2-CD1 4.28Å; L331-F336 HydrophobicContact CD2-CE1 4.18Å; D333-F336 HydrophobicContact CB-CB 4.13Å; D333-F336 PolarHBondContact OD1-N 3.2Å; F336-Q338 VanDerWaalsContact C-N 3.3Å; F336-Q338 PolarHBondContact O-N 3.32Å; F336-F339 WeakPolarHBondContact O-CB 3.37Å; F336-F339 PolarHBondContact O-N 2.9Å; F336-F339 VanDerWaalsContact O-N 3.1Å; F336-S340 PolarHBondContact O-N 3.43Å; F336-S340 PolarHBondContact O-OG 3.13Å; F336-V366 HydrophobicContact CE1-CG1 4.38Å; F336-V366 HydrophobicContact CZ-CB 4.35Å; F336-V366 HydrophobicContact CZ-CG1 3.91Å; F336-V366 HydrophobicContact CZ-CG2 4.21Å; F336-Y380 HydrophobicContact CD2-CD2 4.29Å; F336-Y380 HydrophobicContact CD2-CE2 4.48Å; F336-Y380 AromaticContact CE2-CD2 3.58Å; F336-Y380 HydrophobicContact CE2-CD2 3.58Å; F336-Y380 AromaticContact CE2-CE2 3.69Å; F336-Y380 HydrophobicContact CE2-CE2 3.69Å; F336-Y380 HydrophobicContact CZ-CD2 4.43Å; F336-F429 HydrophobicContact CD2-CD1 4.45Å; F336-F429 HydrophobicContact CD2-CE1 4.2Å
337	A	97.4	Very high	97.1	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.017	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-41	174.5	0	0	0	0	0	112.6	T275 F277 D333 Q341	T275-A337 HydrophobicContact CG2-CB 3.91Å; F277-A337 HydrophobicContact CD2-CB 3.73Å; F277-A337 HydrophobicContact CE2-CB 3.73Å; F277-A337 WeakPolarHBondContact CE2-O 3.39Å; D333-A337 WeakPolarHBondContact O-CB 3.4Å; D333-A337 PolarHBondContact O-N 3.46Å; A337-Q341 WeakPolarHBondContact O-CB 3.35Å; A337-Q341 PolarHBondContact O-N 2.75Å
338	Q	95.9	Very high	96.9	Very high	80 Å²	80	21.5 Å²	21.5	37%	0.374	10%	0.1	S	C	.	.	H	α-helix	trans	-64.2	-43	174	-75.3	173.5	0.7	0	0	112.2	R334 T335 F336 Q341 N342 K433	R334-Q338 VanDerWaalsContact O-CG 3.24Å; R334-Q338 WeakPolarHBondContact O-CG 3.43Å; R334-Q338 PolarHBondContact O-N 3.26Å; R334-Q338 VanDerWaalsContact O-N 3.07Å; T335-Q338 PolarHBondContact O-N 3.01Å; F336-Q338 VanDerWaalsContact C-N 3.3Å; F336-Q338 PolarHBondContact O-N 3.32Å; Q338-Q341 PolarHBondContact O-N 3.13Å; Q338-N342 WeakPolarHBondContact O-CB 3.3Å; Q338-N342 PolarHBondContact O-N 2.97Å; Q338-N342 PolarHBondContact O-ND2 2.82Å; Q338-N342 PolarHBondContact O-OD1 2.72Å; Q338-K433 HydrophobicContact CB-CD 4.33Å
339	F	95.9	Very high	96.6	Very high	8 Å²	8	21.8 Å²	21.8	4%	0.035	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-49.8	176	171.7	-99.5	0	0	0	111.4	T335 F336 Q341 N342 L343 T365 V366 F436	T335-F339 PolarHBondContact O-N 3.29Å; F336-F339 WeakPolarHBondContact O-CB 3.37Å; F336-F339 PolarHBondContact O-N 2.9Å; F336-F339 VanDerWaalsContact O-N 3.1Å; F339-Q341 VanDerWaalsContact C-N 3.32Å; F339-Q341 PolarHBondContact O-N 2.72Å; F339-N342 WeakPolarHBondContact O-CB 3.41Å; F339-N342 PolarHBondContact O-N 2.94Å; F339-N342 VanDerWaalsContact O-N 3.11Å; F339-L343 HydrophobicContact CD1-CD1 4.09Å; F339-L343 HydrophobicContact CE1-CD1 3.47Å; F339-L343 VanDerWaalsContact CE1-CD1 3.47Å; F339-L343 HydrophobicContact CZ-CD1 3.72Å; F339-L343 HydrophobicContact CZ-CG 4.42Å; F339-L343 PolarHBondContact O-N 3.27Å; F339-T365 WeakPolarHBondContact CE1-OG1 3.23Å; F339-T365 HydrophobicContact CZ-CG2 3.96Å; F339-T365 WeakPolarHBondContact CZ-OG1 3.44Å; F339-V366 HydrophobicContact CD1-CG2 4.44Å; F339-V366 HydrophobicContact CE1-CG2 3.93Å; F339-F436 HydrophobicContact CD2-CB 4.35Å; F339-F436 HydrophobicContact CD2-CD1 4.49Å; F339-F436 HydrophobicContact CD2-CG 4.44Å; F339-F436 HydrophobicContact CE2-CB 3.78Å; F339-F436 HydrophobicContact CE2-CD1 4.24Å; F339-F436 HydrophobicContact CE2-CD2 4.25Å; F339-F436 AromaticContact CE2-CG 3.82Å; F339-F436 HydrophobicContact CE2-CG 3.82Å
340	S	97.3	Very high	96.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-39	176.7	-57.9	0	0	0	0	112.3	L295 F336 L343 G344	L295-S340 WeakPolarHBondContact CB-O 3.48Å; F336-S340 PolarHBondContact O-N 3.43Å; F336-S340 PolarHBondContact O-OG 3.13Å; S340-L343 WeakPolarHBondContact O-CB 3.44Å; S340-L343 PolarHBondContact O-N 2.95Å; S340-G344 PolarHBondContact O-N 2.9Å
341	Q	97.8	Very high	95.9	Very high	11 Å²	11	23.7 Å²	23.7	5%	0.051	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-38.9	174.3	-173.6	177.3	26.1	0	0	112.2	L295 A296 R298 A337 Q338 F339 L343 G344 L345	L295-Q341 WeakPolarHBondContact O-CA 3.27Å; A296-Q341 PolarHBondContact O-NE2 2.86Å; R298-Q341 HydrophobicContact CG-CB 4.37Å; R298-Q341 HydrophobicContact CG-CG 4.17Å; R298-Q341 VanDerWaalsContact CZ-OE1 3.29Å; A337-Q341 WeakPolarHBondContact O-CB 3.35Å; A337-Q341 PolarHBondContact O-N 2.75Å; Q338-Q341 PolarHBondContact O-N 3.13Å; F339-Q341 VanDerWaalsContact C-N 3.32Å; F339-Q341 PolarHBondContact O-N 2.72Å; Q341-L343 VanDerWaalsContact C-N 3.34Å; Q341-L343 PolarHBondContact O-N 3.48Å; Q341-G344 PolarHBondContact O-N 3.41Å; Q341-G344 VanDerWaalsContact O-N 3.15Å; Q341-L345 HydrophobicContact CG-CD1 4.13Å; Q341-L345 HydrophobicContact CG-CG 4.41Å; Q341-L345 WeakPolarHBondContact O-CG 3.34Å; Q341-L345 PolarHBondContact O-N 3.26Å
342	N	95.8	Very high	95.5	Very high	51 Å²	51	25.7 Å²	25.7	27%	0.273	13%	0.127	S	C	.	.	H	α-helix	trans	-64.2	-39.3	177.4	-71.5	-15.3	0	0	0	111.6	Q338 F339 G344 L345 A346 F436	Q338-N342 WeakPolarHBondContact O-CB 3.3Å; Q338-N342 PolarHBondContact O-N 2.97Å; Q338-N342 PolarHBondContact O-ND2 2.82Å; Q338-N342 PolarHBondContact O-OD1 2.72Å; F339-N342 WeakPolarHBondContact O-CB 3.41Å; F339-N342 PolarHBondContact O-N 2.94Å; F339-N342 VanDerWaalsContact O-N 3.11Å; N342-G344 VanDerWaalsContact C-N 3.29Å; N342-G344 PolarHBondContact O-N 2.81Å; N342-L345 PolarHBondContact O-N 3.06Å; N342-A346 WeakPolarHBondContact O-CB 3.49Å; N342-A346 PolarHBondContact O-N 3.13Å; N342-F436 HydrophobicContact CB-CD1 4.2Å; N342-F436 HydrophobicContact CB-CE1 3.98Å
343	L	96.1	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.9	-47.1	170.1	-88.8	159.5	0	0	0	111.1	F339 S340 Q341 A346 S347 L358 L361 Y362 V366 F436	F339-L343 HydrophobicContact CD1-CD1 4.09Å; F339-L343 HydrophobicContact CE1-CD1 3.47Å; F339-L343 VanDerWaalsContact CE1-CD1 3.47Å; F339-L343 HydrophobicContact CZ-CD1 3.72Å; F339-L343 HydrophobicContact CZ-CG 4.42Å; F339-L343 PolarHBondContact O-N 3.27Å; S340-L343 WeakPolarHBondContact O-CB 3.44Å; S340-L343 PolarHBondContact O-N 2.95Å; Q341-L343 VanDerWaalsContact C-N 3.34Å; Q341-L343 PolarHBondContact O-N 3.48Å; L343-A346 WeakPolarHBondContact O-CB 3.22Å; L343-A346 PolarHBondContact O-N 3.16Å; L343-S347 PolarHBondContact O-N 3.19Å; L343-L358 HydrophobicContact CD2-CD2 4.2Å; L343-L361 HydrophobicContact CD2-CB 4.45Å; L343-Y362 HydrophobicContact CD1-CD2 4.29Å; L343-V366 HydrophobicContact CD1-CG2 3.92Å; L343-F436 HydrophobicContact CB-CE1 4.49Å; L343-F436 HydrophobicContact CB-CZ 4.2Å; L343-F436 HydrophobicContact CD2-CD2 4.43Å; L343-F436 HydrophobicContact CD2-CE1 4.33Å; L343-F436 HydrophobicContact CD2-CE2 3.43Å; L343-F436 VanDerWaalsContact CD2-CE2 3.43Å; L343-F436 HydrophobicContact CD2-CZ 3.38Å; L343-F436 HydrophobicContact CG-CE1 4Å; L343-F436 HydrophobicContact CG-CE2 3.91Å; L343-F436 HydrophobicContact CG-CZ 3.55Å
344	G	97.3	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-40.9	177.2	0	0	0	0	0	114.1	L292 S340 Q341 N342 A346 S347 L348	L292-G344 WeakPolarHBondContact O-CA 3.23Å; S340-G344 PolarHBondContact O-N 2.9Å; Q341-G344 PolarHBondContact O-N 3.41Å; Q341-G344 VanDerWaalsContact O-N 3.15Å; N342-G344 VanDerWaalsContact C-N 3.29Å; N342-G344 PolarHBondContact O-N 2.81Å; G344-A346 VanDerWaalsContact C-N 3.28Å; G344-A346 PolarHBondContact O-N 2.86Å; G344-S347 PolarHBondContact O-N 3.21Å; G344-S347 PolarHBondContact O-OG 3.18Å; G344-L348 WeakPolarHBondContact O-CG 3.47Å
345	L	97.1	Very high	95	Very high	27 Å²	27	22.3 Å²	22.3	14%	0.141	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-32	176.8	-72.1	168.6	0	0	0	112.5	A296 Q341 N342 S347 L348 R445 V449 V458	A296-L345 HydrophobicContact CB-CD2 4.02Å; A296-L345 HydrophobicContact CB-CG 4.21Å; Q341-L345 HydrophobicContact CG-CD1 4.13Å; Q341-L345 HydrophobicContact CG-CG 4.41Å; Q341-L345 WeakPolarHBondContact O-CG 3.34Å; Q341-L345 PolarHBondContact O-N 3.26Å; N342-L345 PolarHBondContact O-N 3.06Å; L345-S347 VanDerWaalsContact C-N 3.29Å; L345-L348 HydrophobicContact CD2-CD1 4.14Å; L345-R445 PolarHBondContact O-NH1 2.67Å; L345-V449 HydrophobicContact CB-CG2 4.42Å; L345-V449 HydrophobicContact CD2-CG2 4.23Å; L345-V449 WeakPolarHBondContact O-CG2 3.27Å; L345-V458 HydrophobicContact CD2-CG2 4.48Å
346	A	96.4	Very high	95	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-34	174.2	0	0	0	0	0	112.1	N342 L343 G344 L358 F436 V440 I443 R445	N342-A346 WeakPolarHBondContact O-CB 3.49Å; N342-A346 PolarHBondContact O-N 3.13Å; L343-A346 WeakPolarHBondContact O-CB 3.22Å; L343-A346 PolarHBondContact O-N 3.16Å; G344-A346 VanDerWaalsContact C-N 3.28Å; G344-A346 PolarHBondContact O-N 2.86Å; A346-L358 HydrophobicContact CB-CD1 3.97Å; A346-L358 HydrophobicContact CB-CD2 3.83Å; A346-F436 HydrophobicContact CB-CZ 4.25Å; A346-V440 HydrophobicContact CB-CB 4.3Å; A346-V440 HydrophobicContact CB-CG1 3.62Å; A346-V440 HydrophobicContact CB-CG2 3.59Å; A346-I443 HydrophobicContact CB-CD1 4.3Å; A346-R445 PolarHBondContact O-NH1 3.35Å
347	S	96.1	Very high	95	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-74	-25.3	-177.3	82.9	0	0	0	0	113.9	A293 L343 G344 L345 G349 A350	A293-S347 PolarHBondContact N-OG 3.34Å; L343-S347 PolarHBondContact O-N 3.19Å; G344-S347 PolarHBondContact O-N 3.21Å; G344-S347 PolarHBondContact O-OG 3.18Å; L345-S347 VanDerWaalsContact C-N 3.29Å; S347-G349 PolarHBondContact O-N 3.39Å; S347-G349 VanDerWaalsContact O-N 3.08Å; S347-A350 WeakPolarHBondContact O-CB 3.49Å; S347-A350 PolarHBondContact O-N 3.18Å
348	L	94.6	Very high	95	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	113.3	-174.8	-56.4	-174.3	0	0	0	111.8	F158 A293 A296 G344 L345 A350 R445 V449 V458	F158-L348 HydrophobicContact CB-CB 4.31Å; F158-L348 HydrophobicContact CB-CD2 4.05Å; F158-L348 HydrophobicContact CD2-CB 3.89Å; F158-L348 HydrophobicContact CD2-CD1 4.15Å; F158-L348 HydrophobicContact CD2-CD2 4.28Å; F158-L348 HydrophobicContact CD2-CG 4.32Å; F158-L348 HydrophobicContact CE2-CB 4.31Å; F158-L348 HydrophobicContact CE2-CD1 4.48Å; F158-L348 HydrophobicContact CG-CB 3.99Å; F158-L348 HydrophobicContact CG-CD2 4.46Å; A293-L348 HydrophobicContact CB-CD2 3.79Å; A296-L348 HydrophobicContact CB-CD1 3.86Å; A296-L348 HydrophobicContact CB-CD2 4.09Å; A296-L348 HydrophobicContact CB-CG 4.12Å; G344-L348 WeakPolarHBondContact O-CG 3.47Å; L345-L348 HydrophobicContact CD2-CD1 4.14Å; L348-A350 PolarHBondContact O-N 2.83Å; L348-R445 WeakPolarHBondContact O-CD 3.44Å; L348-R445 PolarHBondContact O-NH1 2.75Å; L348-V449 HydrophobicContact CD1-CG2 4.42Å; L348-V458 HydrophobicContact CD1-CB 4.27Å; L348-V458 HydrophobicContact CD1-CG1 3.84Å; L348-V458 HydrophobicContact CD1-CG2 3.67Å
349	G	90.9	Very high	95.1	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	12.4	-177.9	0	0	0	0	0	114.7	S347	S347-G349 PolarHBondContact O-N 3.39Å; S347-G349 VanDerWaalsContact O-N 3.08Å
350	A	92.6	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.			trans	-69.9	154.9	174	0	0	0	0	0	111.4	H156 R289 S347 L348 D354 I355	H156-A350 PolarHBondContact CD2-O 3.36Å; H156-A350 VanDerWaalsContact CD2-O 3.31Å; R289-A350 PolarHBondContact NH1-O 2.88Å; R289-A350 PolarHBondContact NH2-O 3.46Å; S347-A350 WeakPolarHBondContact O-CB 3.49Å; S347-A350 PolarHBondContact O-N 3.18Å; L348-A350 PolarHBondContact O-N 2.83Å; A350-D354 HydrophobicContact CB-CB 3.96Å; A350-I355 HydrophobicContact CB-CD1 4.16Å; A350-I355 HydrophobicContact CB-CG1 4.41Å
351	S	90.8	Very high	95.2	Very high	41 Å²	41	26.9 Å²	26.9	29%	0.287	14%	0.141	S	C	.	.			trans	-64.3	162.2	173.4	71.9	0	0	0	0	111.2	R289 E353 D354 I355	R289-S351 PolarHBondContact NH2-O 2.8Å; S351-E353 VanDerWaalsContact C-N 3.28Å; S351-E353 PolarHBondContact O-N 3.03Å; S351-D354 PolarHBondContact O-N 3.29Å; S351-D354 WeakPolarHBondContact OG-CB 3.4Å; S351-D354 PolarHBondContact OG-N 2.84Å; S351-D354 VanDerWaalsContact OG-N 3.11Å; S351-D354 PolarHBondContact OG-OD2 2.77Å; S351-I355 WeakPolarHBondContact O-CG1 3.48Å; S351-I355 PolarHBondContact O-N 3.04Å
352	D	89	Confident	95.2	Very high	43 Å²	43	27.2 Å²	27.2	23%	0.23	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-36.5	176.1	-64.5	-45.9	0	0	0	111.8	H104 H156 R289 D354 I355 E356	H104-D352 WeakPolarHBondContact CB-OD2 3.36Å; H104-D352 IonicContact CE1-OD1 3.32Å; H104-D352 IonicContact CG-OD1 2.7Å; H104-D352 IonicContact CG-OD2 3.7Å; H104-D352 IonicContact ND1-OD1 3.64Å; H104-D352 PolarHBondContact ND1-OD1 2.79Å; H104-D352 IonicContact ND1-OD2 3.05Å; H104-D352 PolarHBondContact ND1-OD2 3.27Å; H104-D352 VanDerWaalsContact ND1-OD2 3.16Å; H156-D352 IonicContact CE1-OD2 3.87Å; H156-D352 PolarHBondContact CE1-OD2 2.95Å; H156-D352 IonicContact NE2-OD2 3.41Å; R289-D352 IonicContact CZ-OD1 2.77Å; R289-D352 IonicContact NE-OD1 3.59Å; R289-D352 IonicContact NH2-OD1 3.7Å; R289-D352 PolarHBondContact NH2-OD1 3.34Å; D352-D354 PolarHBondContact O-N 3.48Å; D352-I355 WeakPolarHBondContact O-CB 3.46Å; D352-I355 PolarHBondContact O-N 2.97Å; D352-E356 PolarHBondContact O-N 3.27Å
353	E	92.6	Very high	95.3	Very high	117 Å²	117	26.4 Å²	26.4	55%	0.547	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-43.5	174	-172.4	-168.8	153.4	0	0	112.1	S351 I355 E356 K357	S351-E353 VanDerWaalsContact C-N 3.28Å; S351-E353 PolarHBondContact O-N 3.03Å; E353-I355 VanDerWaalsContact C-N 3.31Å; E353-I355 PolarHBondContact O-N 3.2Å; E353-E356 PolarHBondContact O-N 3.48Å; E353-K357 PolarHBondContact O-N 2.94Å; E353-K357 VanDerWaalsContact O-N 3.11Å; E353-K357 IonicContact OE1-NZ 3.91Å; E353-K357 PolarHBondContact OE1-NZ 3.22Å
354	D	95.1	Very high	95.3	Very high	26 Å²	26	26.5 Å²	26.5	14%	0.139	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-33.6	176.4	-66.9	-49.4	0	0	0	111.6	A350 S351 D352 K357 L358 I443	A350-D354 HydrophobicContact CB-CB 3.96Å; S351-D354 PolarHBondContact O-N 3.29Å; S351-D354 WeakPolarHBondContact OG-CB 3.4Å; S351-D354 PolarHBondContact OG-N 2.84Å; S351-D354 VanDerWaalsContact OG-N 3.11Å; S351-D354 PolarHBondContact OG-OD2 2.77Å; D352-D354 PolarHBondContact O-N 3.48Å; D354-K357 PolarHBondContact O-N 2.85Å; D354-L358 WeakPolarHBondContact O-CB 3.2Å; D354-L358 WeakPolarHBondContact O-CG 3.41Å; D354-L358 PolarHBondContact O-N 3.2Å; D354-I443 HydrophobicContact CB-CG2 4.31Å
355	I	95.1	Very high	95.3	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.051	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-42.5	173.8	-69.7	-61.9	0	0	0	111.1	A288 R289 A350 S351 D352 E353 K357 L358 S359	A288-I355 HydrophobicContact CB-CG2 3.88Å; R289-I355 HydrophobicContact CB-CD1 4.5Å; R289-I355 HydrophobicContact CB-CG1 4.5Å; R289-I355 HydrophobicContact CB-CG2 4.35Å; R289-I355 HydrophobicContact CG-CD1 4.43Å; A350-I355 HydrophobicContact CB-CD1 4.16Å; A350-I355 HydrophobicContact CB-CG1 4.41Å; S351-I355 WeakPolarHBondContact O-CG1 3.48Å; S351-I355 PolarHBondContact O-N 3.04Å; D352-I355 WeakPolarHBondContact O-CB 3.46Å; D352-I355 PolarHBondContact O-N 2.97Å; E353-I355 VanDerWaalsContact C-N 3.31Å; E353-I355 PolarHBondContact O-N 3.2Å; I355-K357 VanDerWaalsContact C-N 3.34Å; I355-K357 PolarHBondContact O-N 3.45Å; I355-L358 PolarHBondContact O-N 2.91Å; I355-S359 VanDerWaalsContact O-CB 3.3Å; I355-S359 WeakPolarHBondContact O-CB 3.32Å; I355-S359 PolarHBondContact O-N 3.15Å
356	E	95.2	Very high	95.4	Very high	133 Å²	133	25.4 Å²	25.4	62%	0.621	13%	0.13	S	C	*	.	H	α-helix	trans	-60.2	-45.5	176	-71.4	175.2	-178.2	0	0	111.3	D352 E353 S359 T360	D352-E356 PolarHBondContact O-N 3.27Å; E353-E356 PolarHBondContact O-N 3.48Å; E356-S359 WeakPolarHBondContact O-CB 3.18Å; E356-S359 PolarHBondContact O-N 2.94Å; E356-T360 PolarHBondContact O-N 3.26Å; E356-T360 PolarHBondContact O-OG1 2.73Å
357	K	97.2	Very high	95.4	Very high	48 Å²	48	26.3 Å²	26.3	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-44.7	175.3	-74.2	169.6	175	168.1	0	112.4	E353 D354 I355 S359 T360 L361 A410 Y439	E353-K357 PolarHBondContact O-N 2.94Å; E353-K357 VanDerWaalsContact O-N 3.11Å; E353-K357 IonicContact OE1-NZ 3.91Å; E353-K357 PolarHBondContact OE1-NZ 3.22Å; D354-K357 PolarHBondContact O-N 2.85Å; I355-K357 VanDerWaalsContact C-N 3.34Å; I355-K357 PolarHBondContact O-N 3.45Å; K357-S359 VanDerWaalsContact C-N 3.33Å; K357-S359 PolarHBondContact O-N 3.45Å; K357-T360 WeakPolarHBondContact O-CB 3.48Å; K357-T360 PolarHBondContact O-N 2.87Å; K357-L361 WeakPolarHBondContact O-CG 3.43Å; K357-L361 PolarHBondContact O-N 3.47Å; K357-A410 HydrophobicContact CB-CB 4.03Å; K357-A410 HydrophobicContact CG-CB 4.23Å; K357-Y439 WeakPolarHBondContact CB-OH 3.49Å
358	L	97.4	Very high	95.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-37	176.2	-73.2	169.4	0	0	0	112.1	L292 L343 A346 D354 I355 T360 L361 Y362 F436 I443	L292-L358 HydrophobicContact CD1-CB 3.97Å; L343-L358 HydrophobicContact CD2-CD2 4.2Å; A346-L358 HydrophobicContact CB-CD1 3.97Å; A346-L358 HydrophobicContact CB-CD2 3.83Å; D354-L358 WeakPolarHBondContact O-CB 3.2Å; D354-L358 WeakPolarHBondContact O-CG 3.41Å; D354-L358 PolarHBondContact O-N 3.2Å; I355-L358 PolarHBondContact O-N 2.91Å; L358-T360 VanDerWaalsContact C-N 3.33Å; L358-L361 PolarHBondContact O-N 2.9Å; L358-Y362 WeakPolarHBondContact O-CB 3.41Å; L358-Y362 PolarHBondContact O-N 3.2Å; L358-F436 HydrophobicContact CD2-CE2 3.92Å; L358-F436 HydrophobicContact CD2-CZ 3.78Å; L358-I443 HydrophobicContact CD1-CD1 4.19Å; L358-I443 HydrophobicContact CD2-CD1 4.14Å; L358-I443 HydrophobicContact CG-CD1 4.32Å
359	S	96.3	Very high	95.6	Very high	29 Å²	29	27.5 Å²	27.5	20%	0.203	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-40.3	173.6	-171.6	0	0	0	0	111.2	I355 E356 K357 Y362 W363	I355-S359 VanDerWaalsContact O-CB 3.3Å; I355-S359 WeakPolarHBondContact O-CB 3.32Å; I355-S359 PolarHBondContact O-N 3.15Å; E356-S359 WeakPolarHBondContact O-CB 3.18Å; E356-S359 PolarHBondContact O-N 2.94Å; K357-S359 VanDerWaalsContact C-N 3.33Å; K357-S359 PolarHBondContact O-N 3.45Å; S359-Y362 WeakPolarHBondContact O-CB 3.45Å; S359-Y362 PolarHBondContact O-N 2.89Å; S359-W363 PolarHBondContact O-N 3.4Å
360	T	97.5	Very high	96	Very high	17 Å²	17	27.2 Å²	27.2	10%	0.104	14%	0.135	C	C	.	.	H	α-helix	trans	-66.4	-40.5	175.9	-53.9	0	0	0	0	111.3	E356 K357 L358 W363 F364 A409 Q412 Y414	E356-T360 PolarHBondContact O-N 3.26Å; E356-T360 PolarHBondContact O-OG1 2.73Å; K357-T360 WeakPolarHBondContact O-CB 3.48Å; K357-T360 PolarHBondContact O-N 2.87Å; L358-T360 VanDerWaalsContact C-N 3.33Å; T360-W363 WeakPolarHBondContact O-CB 3.32Å; T360-W363 PolarHBondContact O-N 3.02Å; T360-F364 HydrophobicContact CG2-CD2 3.83Å; T360-F364 HydrophobicContact CG2-CE2 3.76Å; T360-F364 WeakPolarHBondContact O-CD2 3.4Å; T360-F364 PolarHBondContact O-N 3.41Å; T360-A409 WeakPolarHBondContact CG2-O 3.37Å; T360-Q412 WeakPolarHBondContact CG2-O 3.27Å; T360-Y414 HydrophobicContact CG2-CD1 4.06Å; T360-Y414 HydrophobicContact CG2-CE1 4.03Å
361	L	97.9	Very high	96.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-41.7	172.6	-71.3	173.9	0	0	0	112.1	L343 K357 L358 W363 F364 T365 F404 P406 A409 A410 F436 Y439	L343-L361 HydrophobicContact CD2-CB 4.45Å; K357-L361 WeakPolarHBondContact O-CG 3.43Å; K357-L361 PolarHBondContact O-N 3.47Å; L358-L361 PolarHBondContact O-N 2.9Å; L361-W363 VanDerWaalsContact C-N 3.3Å; L361-W363 PolarHBondContact O-N 3.01Å; L361-F364 PolarHBondContact O-N 3.43Å; L361-T365 WeakPolarHBondContact O-CB 3.37Å; L361-T365 WeakPolarHBondContact O-CG2 3.34Å; L361-T365 PolarHBondContact O-N 3.43Å; L361-T365 PolarHBondContact O-OG1 3.03Å; L361-F404 HydrophobicContact CD2-CE2 4.07Å; L361-F404 HydrophobicContact CD2-CZ 4.22Å; L361-P406 HydrophobicContact CD1-CB 4.42Å; L361-P406 HydrophobicContact CD2-CB 3.99Å; L361-P406 WeakPolarHBondContact CD2-O 3.12Å; L361-A409 HydrophobicContact CD2-CB 3.85Å; L361-A410 HydrophobicContact CD1-CB 4.22Å; L361-A410 HydrophobicContact CD2-CB 4.12Å; L361-A410 HydrophobicContact CG-CB 3.95Å; L361-F436 HydrophobicContact CD1-CD2 4.11Å; L361-F436 HydrophobicContact CD1-CE2 3.81Å; L361-Y439 HydrophobicContact CD1-CD1 3.66Å; L361-Y439 HydrophobicContact CD1-CE1 3.41Å; L361-Y439 VanDerWaalsContact CD1-CE1 3.41Å; L361-Y439 HydrophobicContact CD1-CG 4.38Å
362	Y	97.9	Very high	96.5	Very high	18 Å²	18	29.6 Å²	29.6	7%	0.071	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-43.6	173.6	178.1	-86.6	0	0	0	110.8	F291 L292 L295 H327 L343 L358 S359 T365 V366 E367	F291-Y362 HydrophobicContact CE1-CD2 4.43Å; F291-Y362 AromaticContact CE1-CE1 3.98Å; F291-Y362 HydrophobicContact CE1-CE1 3.98Å; F291-Y362 AromaticContact CE1-CE2 3.67Å; F291-Y362 HydrophobicContact CE1-CE2 3.67Å; F291-Y362 AromaticContact CE1-CZ 3.45Å; F291-Y362 VanDerWaalsContact CE1-CZ 3.45Å; F291-Y362 WeakPolarHBondContact CE1-OH 3.06Å; F291-Y362 HydrophobicContact CZ-CE2 4.35Å; F291-Y362 AromaticContact CZ-CZ 3.9Å; F291-Y362 WeakPolarHBondContact CZ-OH 3.08Å; L292-Y362 HydrophobicContact CD2-CD2 4.12Å; L292-Y362 HydrophobicContact CD2-CG 4.33Å; L295-Y362 HydrophobicContact CD1-CD2 4.1Å; L295-Y362 HydrophobicContact CD1-CE2 3.88Å; H327-Y362 PolarHBondContact CE1-OH 3.5Å; L343-Y362 HydrophobicContact CD1-CD2 4.29Å; L358-Y362 WeakPolarHBondContact O-CB 3.41Å; L358-Y362 PolarHBondContact O-N 3.2Å; S359-Y362 WeakPolarHBondContact O-CB 3.45Å; S359-Y362 PolarHBondContact O-N 2.89Å; Y362-T365 CarbonylContact O-C 3.57Å; Y362-T365 PolarHBondContact O-N 3.44Å; Y362-V366 HydrophobicContact CD2-CB 3.75Å; Y362-V366 HydrophobicContact CD2-CG1 4.23Å; Y362-V366 HydrophobicContact CD2-CG2 3.63Å; Y362-V366 HydrophobicContact CE1-CB 4.35Å; Y362-V366 HydrophobicContact CE1-CG1 4.49Å; Y362-V366 HydrophobicContact CE2-CB 3.52Å; Y362-V366 HydrophobicContact CE2-CG1 3.48Å; Y362-V366 VanDerWaalsContact CE2-CG1 3.48Å; Y362-V366 HydrophobicContact CE2-CG2 3.71Å; Y362-V366 HydrophobicContact CG-CB 4.22Å; Y362-V366 HydrophobicContact CG-CG2 4.36Å; Y362-V366 PolarHBondContact O-N 3.13Å; Y362-E367 HydrophobicContact CD1-CG 3.92Å; Y362-E367 HydrophobicContact CE1-CG 3.52Å; Y362-E367 WeakPolarHBondContact CE1-OE1 3.19Å; Y362-E367 PolarHBondContact O-N 3.02Å; Y362-E367 PolarHBondContact OH-OE1 2.87Å
363	W	97.6	Very high	96.8	Very high	35 Å²	35	28.9 Å²	28.9	13%	0.133	14%	0.136	C	C	.	.	I	π-helix	trans	-58.1	-53.6	175.6	-174.4	-93.9	0	0	0	112.6	S359 T360 L361 T365 E367 Y368 Y414 Q415 D416 Q420	S359-W363 PolarHBondContact O-N 3.4Å; T360-W363 WeakPolarHBondContact O-CB 3.32Å; T360-W363 PolarHBondContact O-N 3.02Å; L361-W363 VanDerWaalsContact C-N 3.3Å; L361-W363 PolarHBondContact O-N 3.01Å; W363-T365 PolarHBondContact O-N 3.47Å; W363-E367 HydrophobicContact CE3-CB 4.41Å; W363-E367 HydrophobicContact CE3-CG 4.27Å; W363-E367 WeakPolarHBondContact O-CB 3.47Å; W363-Y368 AromaticContact CD2-CD2 3.79Å; W363-Y368 HydrophobicContact CD2-CD2 3.79Å; W363-Y368 AromaticContact CD2-CE2 3.85Å; W363-Y368 HydrophobicContact CD2-CE2 3.85Å; W363-Y368 AromaticContact CE2-CD2 3.44Å; W363-Y368 VanDerWaalsContact CE2-CD2 3.44Å; W363-Y368 AromaticContact CE2-CE2 3.39Å; W363-Y368 HydrophobicContact CE3-CD2 4.35Å; W363-Y368 HydrophobicContact CE3-CE2 4.04Å; W363-Y368 HydrophobicContact CG-CD2 4.19Å; W363-Y368 HydrophobicContact CH2-CD2 4.35Å; W363-Y368 AromaticContact CH2-CE2 3.47Å; W363-Y368 HydrophobicContact CH2-CE2 3.47Å; W363-Y368 VanDerWaalsContact CH2-CE2 3.47Å; W363-Y368 AromaticContact CZ2-CD2 3.76Å; W363-Y368 HydrophobicContact CZ2-CD2 3.76Å; W363-Y368 AromaticContact CZ2-CE2 3.2Å; W363-Y368 HydrophobicContact CZ2-CE2 3.2Å; W363-Y368 AromaticContact CZ2-CZ 3.94Å; W363-Y368 AromaticContact CZ3-CE2 3.87Å; W363-Y368 HydrophobicContact CZ3-CE2 3.87Å; W363-Y368 AromaticContact NE1-CD2 3.58Å; W363-Y368 PolarHBondContact O-N 3.24Å; W363-Y414 HydrophobicContact CB-CD1 4.43Å; W363-Y414 HydrophobicContact CB-CE1 4.2Å; W363-Y414 HydrophobicContact CB-CE2 4.5Å; W363-Y414 AromaticContact CD1-CD1 3.96Å; W363-Y414 AromaticContact CD1-CD2 3.83Å; W363-Y414 AromaticContact CD1-CG 3.58Å; W363-Y414 AromaticContact CD2-CD2 3.5Å; W363-Y414 HydrophobicContact CD2-CD2 3.5Å; W363-Y414 AromaticContact CD2-CE2 3.54Å; W363-Y414 HydrophobicContact CD2-CE2 3.54Å; W363-Y414 HydrophobicContact CD2-CG 4.07Å; W363-Y414 AromaticContact CE2-CD2 3.3Å; W363-Y414 AromaticContact CE2-CE2 3.84Å; W363-Y414 AromaticContact CE2-CG 3.84Å; W363-Y414 HydrophobicContact CE3-CD2 4.05Å; W363-Y414 AromaticContact CE3-CE2 3.68Å; W363-Y414 HydrophobicContact CE3-CE2 3.68Å; W363-Y414 HydrophobicContact CG-CD1 4.1Å; W363-Y414 AromaticContact CG-CD2 3.83Å; W363-Y414 HydrophobicContact CG-CD2 3.83Å; W363-Y414 HydrophobicContact CG-CE1 4.21Å; W363-Y414 AromaticContact CG-CE2 3.94Å; W363-Y414 HydrophobicContact CG-CE2 3.94Å; W363-Y414 AromaticContact CG-CG 3.9Å; W363-Y414 HydrophobicContact CG-CG 3.9Å; W363-Y414 HydrophobicContact CH2-CD2 4.2Å; W363-Y414 HydrophobicContact CH2-CE2 4.31Å; W363-Y414 AromaticContact CZ2-CD2 3.68Å; W363-Y414 HydrophobicContact CZ2-CD2 3.68Å; W363-Y414 HydrophobicContact CZ2-CE2 4.21Å; W363-Y414 HydrophobicContact CZ3-CD2 4.37Å; W363-Y414 HydrophobicContact CZ3-CE2 4.07Å; W363-Y414 AromaticContact NE1-CD2 3.54Å; W363-Y414 AromaticContact NE1-CG 3.55Å; W363-Q415 WeakPolarHBondContact CZ2-O 3.35Å; W363-D416 HydrophobicContact CH2-CB 3.98Å; W363-Q420 VanDerWaalsContact NE1-OE1 3.12Å
364	F	97.8	Very high	96.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	15%	0.154	C	C	.	.	I	π-helix	trans	-78.5	1.3	-177.7	-71.7	-62.8	0	0	0	114.8	T360 L361 G369 Q412 Y414 F424	T360-F364 HydrophobicContact CG2-CD2 3.83Å; T360-F364 HydrophobicContact CG2-CE2 3.76Å; T360-F364 WeakPolarHBondContact O-CD2 3.4Å; T360-F364 PolarHBondContact O-N 3.41Å; L361-F364 PolarHBondContact O-N 3.43Å; F364-G369 WeakPolarHBondContact O-CA 3.32Å; F364-Q412 HydrophobicContact CD2-CB 4.31Å; F364-Q412 HydrophobicContact CD2-CG 4.44Å; F364-Q412 HydrophobicContact CE1-CG 4.17Å; F364-Q412 HydrophobicContact CE2-CB 3.61Å; F364-Q412 HydrophobicContact CE2-CG 3.5Å; F364-Q412 WeakPolarHBondContact CE2-O 3.41Å; F364-Q412 HydrophobicContact CZ-CB 4.01Å; F364-Q412 HydrophobicContact CZ-CG 3.33Å; F364-Y414 HydrophobicContact CE2-CD1 4.12Å; F364-Y414 HydrophobicContact CZ-CD1 4.48Å; F364-F424 HydrophobicContact CB-CD2 3.67Å; F364-F424 HydrophobicContact CB-CE2 4.27Å; F364-F424 HydrophobicContact CB-CG 4.45Å; F364-F424 AromaticContact CD1-CD2 3.54Å; F364-F424 HydrophobicContact CD1-CD2 3.54Å; F364-F424 AromaticContact CD1-CE2 3.85Å; F364-F424 HydrophobicContact CD1-CE2 3.85Å; F364-F424 HydrophobicContact CD2-CD2 4.28Å; F364-F424 HydrophobicContact CD2-CE2 4.05Å; F364-F424 HydrophobicContact CE1-CD2 4.24Å; F364-F424 HydrophobicContact CE1-CE2 4.18Å; F364-F424 HydrophobicContact CE2-CE2 4.39Å; F364-F424 AromaticContact CG-CD2 3.55Å; F364-F424 HydrophobicContact CG-CD2 3.55Å; F364-F424 AromaticContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CZ-CE2 4.44Å
365	T	97.3	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-121.6	-76.5	175	59.6	0	0	0	0	111.4	F339 L361 Y362 W363 E367 G369 Y380 F404	F339-T365 WeakPolarHBondContact CE1-OG1 3.23Å; F339-T365 HydrophobicContact CZ-CG2 3.96Å; F339-T365 WeakPolarHBondContact CZ-OG1 3.44Å; L361-T365 WeakPolarHBondContact O-CB 3.37Å; L361-T365 WeakPolarHBondContact O-CG2 3.34Å; L361-T365 PolarHBondContact O-N 3.43Å; L361-T365 PolarHBondContact O-OG1 3.03Å; Y362-T365 CarbonylContact O-C 3.57Å; Y362-T365 PolarHBondContact O-N 3.44Å; W363-T365 PolarHBondContact O-N 3.47Å; T365-E367 VanDerWaalsContact C-N 3.31Å; T365-E367 PolarHBondContact O-N 3.44Å; T365-G369 WeakPolarHBondContact O-CA 3.27Å; T365-G369 PolarHBondContact O-N 3.26Å; T365-Y380 WeakPolarHBondContact CA-OH 3.29Å; T365-Y380 WeakPolarHBondContact CB-OH 3.39Å; T365-Y380 WeakPolarHBondContact O-CE2 3.23Å; T365-F404 HydrophobicContact CG2-CD2 4Å; T365-F404 HydrophobicContact CG2-CE1 4.18Å; T365-F404 HydrophobicContact CG2-CE2 3.38Å; T365-F404 HydrophobicContact CG2-CZ 3.48Å; T365-F404 VanDerWaalsContact CG2-CZ 3.48Å
366	V	97.6	Very high	96.7	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	21%	0.209	C	C	.	.	I	π-helix	trans	-63.4	-35.9	-174.5	-174.5	0	0	0	0	111.8	F336 F339 L343 Y362 G381 A382	F336-V366 HydrophobicContact CE1-CG1 4.38Å; F336-V366 HydrophobicContact CZ-CB 4.35Å; F336-V366 HydrophobicContact CZ-CG1 3.91Å; F336-V366 HydrophobicContact CZ-CG2 4.21Å; F339-V366 HydrophobicContact CD1-CG2 4.44Å; F339-V366 HydrophobicContact CE1-CG2 3.93Å; L343-V366 HydrophobicContact CD1-CG2 3.92Å; Y362-V366 HydrophobicContact CD2-CB 3.75Å; Y362-V366 HydrophobicContact CD2-CG1 4.23Å; Y362-V366 HydrophobicContact CD2-CG2 3.63Å; Y362-V366 HydrophobicContact CE1-CB 4.35Å; Y362-V366 HydrophobicContact CE1-CG1 4.49Å; Y362-V366 HydrophobicContact CE2-CB 3.52Å; Y362-V366 HydrophobicContact CE2-CG1 3.48Å; Y362-V366 VanDerWaalsContact CE2-CG1 3.48Å; Y362-V366 HydrophobicContact CE2-CG2 3.71Å; Y362-V366 HydrophobicContact CG-CB 4.22Å; Y362-V366 HydrophobicContact CG-CG2 4.36Å; Y362-V366 PolarHBondContact O-N 3.13Å; V366-G381 WeakPolarHBondContact O-CA 3.38Å; V366-A382 PolarHBondContact O-N 3.16Å
367	E	97.1	Very high	96.8	Very high	21 Å²	21	35.3 Å²	35.3	10%	0.098	20%	0.195	C	C	.	.	I	π-helix	trans	-88	-49.6	-178.9	-63.2	-61.7	154.2	0	0	113.6	H322 H327 Y362 W363 T365 G381 A382 G383	H322-E367 IonicContact CE1-OE2 3.29Å; H322-E367 PolarHBondContact CE1-OE2 2.81Å; H322-E367 VanDerWaalsContact CE1-OE2 3.26Å; H322-E367 IonicContact NE2-OE2 2.8Å; H322-E367 PolarHBondContact NE2-OE2 2.86Å; H327-E367 IonicContact CE1-OE1 2.7Å; H327-E367 PolarHBondContact CE1-OE1 3.23Å; H327-E367 IonicContact CE1-OE2 3.55Å; H327-E367 IonicContact NE2-OE1 2.81Å; H327-E367 PolarHBondContact NE2-OE1 2.91Å; H327-E367 VanDerWaalsContact NE2-OE1 3.13Å; H327-E367 IonicContact NE2-OE2 3.26Å; Y362-E367 HydrophobicContact CD1-CG 3.92Å; Y362-E367 HydrophobicContact CE1-CG 3.52Å; Y362-E367 WeakPolarHBondContact CE1-OE1 3.19Å; Y362-E367 PolarHBondContact O-N 3.02Å; Y362-E367 PolarHBondContact OH-OE1 2.87Å; W363-E367 HydrophobicContact CE3-CB 4.41Å; W363-E367 HydrophobicContact CE3-CG 4.27Å; W363-E367 WeakPolarHBondContact O-CB 3.47Å; T365-E367 VanDerWaalsContact C-N 3.31Å; T365-E367 PolarHBondContact O-N 3.44Å; E367-G381 CarbonylContact O-C 3.53Å; E367-G381 WeakPolarHBondContact O-CA 3.34Å; E367-A382 PolarHBondContact O-N 3.22Å; E367-G383 WeakPolarHBondContact O-CA 3.41Å; E367-G383 PolarHBondContact O-N 3.08Å
368	Y	97.5	Very high	96.8	Very high	28 Å²	28	34.5 Å²	34.5	11%	0.11	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	24.5	-171.4	-65.3	-82.4	0	0	0	113.7	W363 L384 E390 Q420 Y423	W363-Y368 AromaticContact CD2-CD2 3.79Å; W363-Y368 HydrophobicContact CD2-CD2 3.79Å; W363-Y368 AromaticContact CD2-CE2 3.85Å; W363-Y368 HydrophobicContact CD2-CE2 3.85Å; W363-Y368 AromaticContact CE2-CD2 3.44Å; W363-Y368 VanDerWaalsContact CE2-CD2 3.44Å; W363-Y368 AromaticContact CE2-CE2 3.39Å; W363-Y368 HydrophobicContact CE3-CD2 4.35Å; W363-Y368 HydrophobicContact CE3-CE2 4.04Å; W363-Y368 HydrophobicContact CG-CD2 4.19Å; W363-Y368 HydrophobicContact CH2-CD2 4.35Å; W363-Y368 AromaticContact CH2-CE2 3.47Å; W363-Y368 HydrophobicContact CH2-CE2 3.47Å; W363-Y368 VanDerWaalsContact CH2-CE2 3.47Å; W363-Y368 AromaticContact CZ2-CD2 3.76Å; W363-Y368 HydrophobicContact CZ2-CD2 3.76Å; W363-Y368 AromaticContact CZ2-CE2 3.2Å; W363-Y368 HydrophobicContact CZ2-CE2 3.2Å; W363-Y368 AromaticContact CZ2-CZ 3.94Å; W363-Y368 AromaticContact CZ3-CE2 3.87Å; W363-Y368 HydrophobicContact CZ3-CE2 3.87Å; W363-Y368 AromaticContact NE1-CD2 3.58Å; W363-Y368 PolarHBondContact O-N 3.24Å; Y368-L384 HydrophobicContact CD1-CD2 3.73Å; Y368-L384 HydrophobicContact CD1-CG 4.13Å; Y368-L384 HydrophobicContact CE1-CD2 4.39Å; Y368-E390 VanDerWaalsContact CE1-CD 3.43Å; Y368-E390 HydrophobicContact CE1-CG 4.4Å; Y368-E390 VanDerWaalsContact CE1-OE1 3.26Å; Y368-E390 WeakPolarHBondContact CE1-OE1 3.33Å; Y368-Q420 HydrophobicContact CD1-CG 3.81Å; Y368-Q420 HydrophobicContact CD2-CG 4.37Å; Y368-Q420 HydrophobicContact CE1-CG 4.15Å; Y368-Q420 HydrophobicContact CG-CG 3.93Å; Y368-Y423 HydrophobicContact CD1-CE1 4.1Å; Y368-Y423 WeakPolarHBondContact O-CD1 3.3Å
369	G	97.6	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.			trans	-76	144	-179.2	0	0	0	0	0	114.4	F364 T365 Y380 G381	F364-G369 WeakPolarHBondContact O-CA 3.32Å; T365-G369 WeakPolarHBondContact O-CA 3.27Å; T365-G369 PolarHBondContact O-N 3.26Å; G369-Y380 WeakPolarHBondContact O-CD1 3.42Å; G369-Y380 PolarHBondContact O-N 2.79Å; G369-Y380 VanDerWaalsContact O-N 3.13Å; G369-G381 PolarHBondContact O-N 3.45Å
370	L	98.5	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.9	173	-63	178.7	0	0	0	110.3	V377 K378 A379 Y380 L384 L395 Y423 F424 V425 S426	L370-V377 HydrophobicContact CB-CG1 3.85Å; L370-V377 HydrophobicContact CD1-CG1 3.93Å; L370-V377 HydrophobicContact CD2-CG1 4.44Å; L370-V377 HydrophobicContact CG-CG1 4.3Å; L370-K378 CarbonylContact C-O 3.57Å; L370-K378 WeakPolarHBondContact CA-O 3.38Å; L370-A379 HydrophobicContact CD2-CB 4.07Å; L370-Y380 VanDerWaalsContact C-CE1 3.44Å; L370-Y380 VanDerWaalsContact O-CE1 3.26Å; L370-Y380 WeakPolarHBondContact O-CE1 3.37Å; L370-L384 HydrophobicContact CD2-CD1 3.46Å; L370-L384 VanDerWaalsContact CD2-CD1 3.46Å; L370-L384 HydrophobicContact CG-CD1 4.26Å; L370-L395 HydrophobicContact CD1-CD2 4.4Å; L370-L395 HydrophobicContact CD2-CD2 3.82Å; L370-Y423 HydrophobicContact CD1-CG 4.12Å; L370-F424 PolarHBondContact N-O 3.24Å; L370-F424 VanDerWaalsContact N-O 3.08Å; L370-V425 HydrophobicContact CB-CB 4.37Å; L370-V425 HydrophobicContact CB-CG2 3.69Å; L370-V425 HydrophobicContact CD1-CG2 4.02Å; L370-V425 CarbonylContact O-C 3.57Å; L370-V425 VanDerWaalsContact O-CA 3.28Å; L370-V425 WeakPolarHBondContact O-CA 3.47Å; L370-S426 PolarHBondContact O-N 3.4Å
371	C	97.8	Very high	97	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.6	175.9	67.9	0	0	0	0	112.5	V377 K378 Y380 S426	C371-V377 CarbonylContact O-C 3.49Å; C371-V377 WeakPolarHBondContact O-CA 3.49Å; C371-K378 PolarHBondContact N-O 2.68Å; C371-K378 PolarHBondContact O-N 2.77Å; C371-Y380 HydrophobicContact CB-CD1 3.81Å; C371-Y380 HydrophobicContact CB-CE1 4.11Å; C371-S426 CarbonylContact C-O 3.49Å; C371-S426 VanDerWaalsContact CA-O 3.27Å; C371-S426 WeakPolarHBondContact CA-O 3.16Å
372	K	97.6	Very high	97	Very high	89 Å²	89	32.4 Å²	32.4	39%	0.387	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.5	171.3	-70.1	-178.2	-174.5	167.4	0	111.1	E376 V425 S426 E427	K372-E376 CarbonylContact C-O 3.59Å; K372-E376 WeakPolarHBondContact CA-O 3.26Å; K372-V425 HydrophobicContact CD-CG1 4.39Å; K372-V425 HydrophobicContact CG-CG1 3.64Å; K372-S426 PolarHBondContact N-O 3.08Å; K372-E427 WeakPolarHBondContact CD-OE1 3.47Å; K372-E427 WeakPolarHBondContact CD-OE2 3.3Å; K372-E427 VanDerWaalsContact CE-OE1 3.31Å; K372-E427 WeakPolarHBondContact CE-OE1 3.41Å; K372-E427 IonicContact NZ-OE1 2.82Å; K372-E427 PolarHBondContact NZ-OE1 3.29Å; K372-E427 IonicContact NZ-OE2 2.72Å
373	Q	94.9	Very high	96.8	Very high	29 Å²	29	31.7 Å²	31.7	14%	0.136	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	120.1	173.2	-62.8	-167	-25.8	0	0	109.4	E242 G375 E376 K378	E242-Q373 PolarHBondContact OE2-NE2 3.43Å; Q373-G375 PolarHBondContact O-N 2.85Å; Q373-G375 VanDerWaalsContact O-N 3.16Å; Q373-E376 PolarHBondContact N-O 3.39Å; Q373-E376 PolarHBondContact O-N 2.89Å; Q373-K378 HydrophobicContact CB-CG 4.33Å
374	N	92.5	Very high	96.8	Very high	175 Å²	175	30 Å²	30	94%	0.936	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.6	-179.9	-53.3	-38.9	0	0	0	114	E376	N374-E376 VanDerWaalsContact C-N 3.29Å; N374-E376 PolarHBondContact O-N 3.14Å
375	G	91.3	Very high	96.7	Very high	79 Å²	79	30 Å²	30	81%	0.814	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	-3	-178.1	0	0	0	0	0	115.1	Q373	Q373-G375 PolarHBondContact O-N 2.85Å; Q373-G375 VanDerWaalsContact O-N 3.16Å
376	E	95.6	Very high	96.6	Very high	113 Å²	113	30.3 Å²	30.3	53%	0.528	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	151.3	174.1	-62.3	-175.3	171.5	0	0	111.2	K372 Q373 N374 K378	K372-E376 CarbonylContact C-O 3.59Å; K372-E376 WeakPolarHBondContact CA-O 3.26Å; Q373-E376 PolarHBondContact N-O 3.39Å; Q373-E376 PolarHBondContact O-N 2.89Å; N374-E376 VanDerWaalsContact C-N 3.29Å; N374-E376 PolarHBondContact O-N 3.14Å; E376-K378 VanDerWaalsContact OE2-CE 3.3Å; E376-K378 WeakPolarHBondContact OE2-CE 3.33Å; E376-K378 IonicContact OE2-NZ 3.71Å; E376-K378 PolarHBondContact OE2-NZ 3.35Å
377	V	97.6	Very high	96.3	Very high	53 Å²	53	31 Å²	31	32%	0.321	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.8	171.5	-176.6	0	0	0	0	109.2	L370 C371 L395 V425	L370-V377 HydrophobicContact CB-CG1 3.85Å; L370-V377 HydrophobicContact CD1-CG1 3.93Å; L370-V377 HydrophobicContact CD2-CG1 4.44Å; L370-V377 HydrophobicContact CG-CG1 4.3Å; C371-V377 CarbonylContact O-C 3.49Å; C371-V377 WeakPolarHBondContact O-CA 3.49Å; V377-L395 HydrophobicContact CB-CD2 4.28Å; V377-L395 HydrophobicContact CG1-CD2 3.8Å; V377-V425 HydrophobicContact CG1-CG1 4.5Å; V377-V425 HydrophobicContact CG1-CG2 4.02Å
378	K	98.2	Very high	96	Very high	31 Å²	31	33.9 Å²	33.9	14%	0.135	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.2	178.5	-60.9	-62.5	178.5	-159.4	0	110.7	T237 H238 C240 L370 C371 Q373 E376	T237-K378 PolarHBondContact O-NZ 3.04Å; H238-K378 WeakPolarHBondContact O-CA 3.47Å; C240-K378 HydrophobicContact CB-CB 4.11Å; L370-K378 CarbonylContact C-O 3.57Å; L370-K378 WeakPolarHBondContact CA-O 3.38Å; C371-K378 PolarHBondContact N-O 2.68Å; C371-K378 PolarHBondContact O-N 2.77Å; Q373-K378 HydrophobicContact CB-CG 4.33Å; E376-K378 VanDerWaalsContact OE2-CE 3.3Å; E376-K378 WeakPolarHBondContact OE2-CE 3.33Å; E376-K378 IonicContact OE2-NZ 3.71Å; E376-K378 PolarHBondContact OE2-NZ 3.35Å
379	A	98.4	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.7	176.1	0	0	0	0	0	111.9	H238 C240 L370 L384 L385 L391	H238-A379 PolarHBondContact O-N 3.31Å; C240-A379 PolarHBondContact N-O 3Å; L370-A379 HydrophobicContact CD2-CB 4.07Å; A379-L384 HydrophobicContact CB-CB 4.04Å; A379-L384 HydrophobicContact CB-CD1 3.88Å; A379-L385 HydrophobicContact CB-CD2 4.33Å; A379-L391 HydrophobicContact CB-CD1 3.45Å; A379-L391 VanDerWaalsContact CB-CD1 3.45Å
380	Y	98.1	Very high	95.4	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	19%	0.19	C	C	.	.			trans	-131.5	-14	167	76	-97.7	0	0	0	113.2	F336 T365 G369 L370 C371 L385 F429	F336-Y380 HydrophobicContact CD2-CD2 4.29Å; F336-Y380 HydrophobicContact CD2-CE2 4.48Å; F336-Y380 AromaticContact CE2-CD2 3.58Å; F336-Y380 HydrophobicContact CE2-CD2 3.58Å; F336-Y380 AromaticContact CE2-CE2 3.69Å; F336-Y380 HydrophobicContact CE2-CE2 3.69Å; F336-Y380 HydrophobicContact CZ-CD2 4.43Å; T365-Y380 WeakPolarHBondContact CA-OH 3.29Å; T365-Y380 WeakPolarHBondContact CB-OH 3.39Å; T365-Y380 WeakPolarHBondContact O-CE2 3.23Å; G369-Y380 WeakPolarHBondContact O-CD1 3.42Å; G369-Y380 PolarHBondContact O-N 2.79Å; G369-Y380 VanDerWaalsContact O-N 3.13Å; L370-Y380 VanDerWaalsContact C-CE1 3.44Å; L370-Y380 VanDerWaalsContact O-CE1 3.26Å; L370-Y380 WeakPolarHBondContact O-CE1 3.37Å; C371-Y380 HydrophobicContact CB-CD1 3.81Å; C371-Y380 HydrophobicContact CB-CE1 4.11Å; Y380-L385 WeakPolarHBondContact O-CD1 3.39Å; Y380-F429 AromaticContact CD1-CE1 3.65Å; Y380-F429 HydrophobicContact CD1-CE1 3.65Å; Y380-F429 HydrophobicContact CD1-CZ 4.09Å; Y380-F429 AromaticContact CD2-CE1 3.78Å; Y380-F429 HydrophobicContact CD2-CE1 3.78Å; Y380-F429 HydrophobicContact CD2-CZ 4.27Å; Y380-F429 AromaticContact CE1-CE1 3.9Å; Y380-F429 HydrophobicContact CE1-CE1 3.9Å; Y380-F429 HydrophobicContact CE2-CE1 4.06Å; Y380-F429 AromaticContact CG-CE1 3.57Å; Y380-F429 HydrophobicContact CG-CE1 3.57Å; Y380-F429 AromaticContact CG-CZ 3.8Å; Y380-F429 HydrophobicContact CG-CZ 3.8Å
381	G	98	Very high	95.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.			trans	-62.9	135.9	175.5	0	0	0	0	0	112.5	V366 E367 G369 G383 L384 L385	V366-G381 WeakPolarHBondContact O-CA 3.38Å; E367-G381 CarbonylContact O-C 3.53Å; E367-G381 WeakPolarHBondContact O-CA 3.34Å; G369-G381 PolarHBondContact O-N 3.45Å; G381-G383 PolarHBondContact O-N 2.91Å; G381-L384 WeakPolarHBondContact O-CB 3.31Å; G381-L384 PolarHBondContact O-N 3.46Å; G381-L385 WeakPolarHBondContact O-CG 3.41Å; G381-L385 PolarHBondContact O-N 3.24Å
382	A	97.4	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-38	-177.4	0	0	0	0	0	113.7	H327 V366 E367 L384 L385 S386	H327-A382 HydrophobicContact CB-CB 4.39Å; H327-A382 WeakPolarHBondContact CE1-CB 3.36Å; H327-A382 WeakPolarHBondContact ND1-CB 3.33Å; H327-A382 WeakPolarHBondContact NE2-CB 3.49Å; V366-A382 PolarHBondContact O-N 3.16Å; E367-A382 PolarHBondContact O-N 3.22Å; A382-L384 VanDerWaalsContact C-N 3.28Å; A382-L384 PolarHBondContact O-N 3.37Å; A382-L385 PolarHBondContact O-N 3.06Å; A382-S386 WeakPolarHBondContact O-CB 3.47Å; A382-S386 PolarHBondContact O-N 2.85Å; A382-S386 PolarHBondContact O-OG 2.83Å
383	G	95.1	Very high	95	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-39.7	173.3	0	0	0	0	0	112.1	E367 G381 S386 S387	E367-G383 WeakPolarHBondContact O-CA 3.41Å; E367-G383 PolarHBondContact O-N 3.08Å; G381-G383 PolarHBondContact O-N 2.91Å; G383-S386 PolarHBondContact O-OG 3.16Å; G383-S387 VanDerWaalsContact O-CB 3.23Å; G383-S387 WeakPolarHBondContact O-CB 3.23Å; G383-S387 PolarHBondContact O-N 3.33Å
384	L	96.1	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.2	-50	174.3	-56	-179.3	0	0	0	111.1	Y368 L370 A379 G381 A382 S386 S387 E390 L391 Y423	Y368-L384 HydrophobicContact CD1-CD2 3.73Å; Y368-L384 HydrophobicContact CD1-CG 4.13Å; Y368-L384 HydrophobicContact CE1-CD2 4.39Å; L370-L384 HydrophobicContact CD2-CD1 3.46Å; L370-L384 VanDerWaalsContact CD2-CD1 3.46Å; L370-L384 HydrophobicContact CG-CD1 4.26Å; A379-L384 HydrophobicContact CB-CB 4.04Å; A379-L384 HydrophobicContact CB-CD1 3.88Å; G381-L384 WeakPolarHBondContact O-CB 3.31Å; G381-L384 PolarHBondContact O-N 3.46Å; A382-L384 VanDerWaalsContact C-N 3.28Å; A382-L384 PolarHBondContact O-N 3.37Å; L384-S386 PolarHBondContact O-N 3.14Å; L384-S386 VanDerWaalsContact O-N 3.15Å; L384-S387 PolarHBondContact O-N 3.49Å; L384-S387 VanDerWaalsContact O-O 3.12Å; L384-E390 HydrophobicContact CD2-CB 4.49Å; L384-E390 HydrophobicContact CD2-CG 3.84Å; L384-L391 HydrophobicContact CB-CD1 4.2Å; L384-L391 WeakPolarHBondContact O-CB 3.33Å; L384-Y423 HydrophobicContact CD2-CE1 3.72Å
385	L	97.1	Very high	95.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-71.6	-9.5	-173.9	-67.9	166.8	0	0	0	113.6	L231 Y235 A239 H243 M330 A379 Y380 G381 A382	L231-L385 WeakPolarHBondContact CD1-O 3.34Å; Y235-L385 HydrophobicContact CD1-CD2 4Å; Y235-L385 HydrophobicContact CE1-CB 4.27Å; Y235-L385 HydrophobicContact CE1-CD2 3.93Å; Y235-L385 VanDerWaalsContact CE1-O 3.29Å; Y235-L385 WeakPolarHBondContact CE1-O 3.24Å; Y235-L385 PolarHBondContact OH-O 3.44Å; A239-L385 HydrophobicContact CB-CD2 3.62Å; H243-L385 WeakPolarHBondContact CD2-CD1 3.37Å; M330-L385 HydrophobicContact CG-CD1 4.46Å; A379-L385 HydrophobicContact CB-CD2 4.33Å; Y380-L385 WeakPolarHBondContact O-CD1 3.39Å; G381-L385 WeakPolarHBondContact O-CG 3.41Å; G381-L385 PolarHBondContact O-N 3.24Å; A382-L385 PolarHBondContact O-N 3.06Å
386	S	95.1	Very high	95.5	Very high	7 Å²	7	26 Å²	26	5%	0.049	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	0.9	178	60	0	0	0	0	114.4	H322 A382 G383 L384	H322-S386 PolarHBondContact ND1-OG 2.74Å; A382-S386 WeakPolarHBondContact O-CB 3.47Å; A382-S386 PolarHBondContact O-N 2.85Å; A382-S386 PolarHBondContact O-OG 2.83Å; G383-S386 PolarHBondContact O-OG 3.16Å; L384-S386 PolarHBondContact O-N 3.14Å; L384-S386 VanDerWaalsContact O-N 3.15Å
387	S	91.4	Very high	95.4	Very high	19 Å²	19	28.9 Å²	28.9	13%	0.133	16%	0.158	C	C	.	.			trans	-130.8	105.1	-178.2	178	0	0	0	0	109.7	G383 L384 G389 E390 L391	G383-S387 VanDerWaalsContact O-CB 3.23Å; G383-S387 WeakPolarHBondContact O-CB 3.23Å; G383-S387 PolarHBondContact O-N 3.33Å; L384-S387 PolarHBondContact O-N 3.49Å; L384-S387 VanDerWaalsContact O-O 3.12Å; S387-G389 VanDerWaalsContact C-N 3.26Å; S387-G389 PolarHBondContact O-N 3.01Å; S387-E390 PolarHBondContact O-N 2.98Å; S387-E390 WeakPolarHBondContact OG-CB 3.21Å; S387-E390 PolarHBondContact OG-N 3.42Å; S387-L391 VanDerWaalsContact O-CB 3.3Å; S387-L391 WeakPolarHBondContact O-CB 3.46Å; S387-L391 PolarHBondContact O-N 3.29Å
388	Y	89.9	Confident	95.3	Very high	80 Å²	80	34.1 Å²	34.1	31%	0.314	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-38.3	-177.2	72	-86.4	0	0	0	112.2	T230 N313 V392	T230-Y388 HydrophobicContact CG2-CG 4.49Å; N313-Y388 HydrophobicContact CB-CE1 3.39Å; N313-Y388 WeakPolarHBondContact CB-OH 3.46Å; N313-Y388 PolarHBondContact ND2-OH 2.95Å; Y388-V392 WeakPolarHBondContact O-CG2 3.48Å; Y388-V392 PolarHBondContact O-N 3.42Å
389	G	90.3	Very high	95.3	Very high	12 Å²	12	33.3 Å²	33.3	12%	0.124	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-42.7	-177.5	0	0	0	0	0	111.3	S387 H393	S387-G389 VanDerWaalsContact C-N 3.26Å; S387-G389 PolarHBondContact O-N 3.01Å; G389-H393 WeakPolarHBondContact O-CB 3.43Å; G389-H393 PolarHBondContact O-N 3.2Å
390	E	92.7	Very high	95.2	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-75.9	-32.3	179.6	-159.7	156.8	-172.9	0	0	112.7	Y368 L384 S387 V392 H393 S394 Y419 Q420 Y423	Y368-E390 VanDerWaalsContact CE1-CD 3.43Å; Y368-E390 HydrophobicContact CE1-CG 4.4Å; Y368-E390 VanDerWaalsContact CE1-OE1 3.26Å; Y368-E390 WeakPolarHBondContact CE1-OE1 3.33Å; L384-E390 HydrophobicContact CD2-CB 4.49Å; L384-E390 HydrophobicContact CD2-CG 3.84Å; S387-E390 PolarHBondContact O-N 2.98Å; S387-E390 WeakPolarHBondContact OG-CB 3.21Å; S387-E390 PolarHBondContact OG-N 3.42Å; E390-V392 VanDerWaalsContact C-N 3.35Å; E390-V392 PolarHBondContact O-N 3.15Å; E390-H393 PolarHBondContact O-N 3.13Å; E390-S394 VanDerWaalsContact O-CB 3.27Å; E390-S394 WeakPolarHBondContact O-CB 3.25Å; E390-S394 PolarHBondContact O-N 2.87Å; E390-S394 PolarHBondContact O-OG 3Å; E390-Y419 HydrophobicContact CB-CD1 3.84Å; E390-Y419 HydrophobicContact CB-CE1 3.99Å; E390-Y419 HydrophobicContact CG-CD1 3.84Å; E390-Y419 HydrophobicContact CG-CE1 4.49Å; E390-Y419 HydrophobicContact CG-CG 4.27Å; E390-Q420 WeakPolarHBondContact OE1-CG 3.3Å; E390-Q420 PolarHBondContact OE1-N 2.81Å; E390-Y423 WeakPolarHBondContact CG-OH 3.36Å; E390-Y423 PolarHBondContact OE1-OH 3.5Å; E390-Y423 VanDerWaalsContact OE1-OH 3.14Å
391	L	95.1	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-48	171.7	-172.5	54.3	0	0	0	111.7	L231 L234 Y235 H238 A379 L384 S387 S394	L231-L391 HydrophobicContact CD2-CD2 4.47Å; L234-L391 HydrophobicContact CB-CD2 3.95Å; L234-L391 HydrophobicContact CD1-CD2 4.45Å; Y235-L391 HydrophobicContact CD1-CD2 4.49Å; H238-L391 HydrophobicContact CB-CD1 3.75Å; H238-L391 HydrophobicContact CB-CD2 3.9Å; H238-L391 HydrophobicContact CB-CG 3.74Å; A379-L391 HydrophobicContact CB-CD1 3.45Å; A379-L391 VanDerWaalsContact CB-CD1 3.45Å; L384-L391 HydrophobicContact CB-CD1 4.2Å; L384-L391 WeakPolarHBondContact O-CB 3.33Å; S387-L391 VanDerWaalsContact O-CB 3.3Å; S387-L391 WeakPolarHBondContact O-CB 3.46Å; S387-L391 PolarHBondContact O-N 3.29Å; L391-S394 PolarHBondContact O-OG 3.15Å
392	V	94.9	Very high	95.2	Very high	72 Å²	72	45.1 Å²	45.1	44%	0.436	23%	0.234	S	C	.	.	H	α-helix	trans	-68.3	-42.9	178	174	0	0	0	0	111	L234 Y388 E390 L395 S396	L234-V392 HydrophobicContact CD2-CG2 4.31Å; Y388-V392 WeakPolarHBondContact O-CG2 3.48Å; Y388-V392 PolarHBondContact O-N 3.42Å; E390-V392 VanDerWaalsContact C-N 3.35Å; E390-V392 PolarHBondContact O-N 3.15Å; V392-L395 PolarHBondContact O-N 2.8Å; V392-S396 PolarHBondContact O-N 3.29Å
393	H	95.1	Very high	95.2	Very high	42 Å²	42	50.7 Å²	50.7	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-47.4	177.6	178.1	78	0	0	0	112	G389 E390 L395 S396 P399 Y419 Q420 Y423	G389-H393 WeakPolarHBondContact O-CB 3.43Å; G389-H393 PolarHBondContact O-N 3.2Å; E390-H393 PolarHBondContact O-N 3.13Å; H393-L395 PolarHBondContact O-N 3.5Å; H393-L395 VanDerWaalsContact O-N 3.15Å; H393-S396 WeakPolarHBondContact O-CB 3.33Å; H393-S396 PolarHBondContact O-N 2.67Å; H393-S396 PolarHBondContact O-OG 3.5Å; H393-P399 WeakPolarHBondContact O-CD 3.24Å; H393-P399 WeakPolarHBondContact O-CG 2.92Å; H393-Y419 HydrophobicContact CB-CD2 3.86Å; H393-Y419 HydrophobicContact CB-CE2 4.31Å; H393-Y419 HydrophobicContact CB-CG 4.38Å; H393-Y419 AromaticContact CG-CD2 3.72Å; H393-Y419 AromaticContact ND1-CD2 3.97Å; H393-Q420 PolarHBondContact NE2-O 2.71Å; H393-Y423 AromaticContact CD2-CE2 3.99Å; H393-Y423 PolarHBondContact CD2-OH 3.35Å
394	S	96	Very high	95.3	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-22.7	-175.7	70.2	0	0	0	0	114.9	E390 L391	E390-S394 VanDerWaalsContact O-CB 3.27Å; E390-S394 WeakPolarHBondContact O-CB 3.25Å; E390-S394 PolarHBondContact O-N 2.87Å; E390-S394 PolarHBondContact O-OG 3Å; L391-S394 PolarHBondContact O-OG 3.15Å
395	L	96.4	Very high	95.4	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.277	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	11.4	178.5	-58.4	-172.3	0	0	0	112.9	H238 L370 V377 V392 H393	H238-L395 HydrophobicContact CB-CD1 3.84Å; L370-L395 HydrophobicContact CD1-CD2 4.4Å; L370-L395 HydrophobicContact CD2-CD2 3.82Å; V377-L395 HydrophobicContact CB-CD2 4.28Å; V377-L395 HydrophobicContact CG1-CD2 3.8Å; V392-L395 PolarHBondContact O-N 2.8Å; H393-L395 PolarHBondContact O-N 3.5Å; H393-L395 VanDerWaalsContact O-N 3.15Å
396	S	96	Very high	95.4	Very high	42 Å²	42	54.5 Å²	54.5	29%	0.294	28%	0.279	S	S	.	.	S	Bend	trans	-88.9	-180	172.5	76.3	0	0	0	0	111.7	V392 H393 E398 P399	V392-S396 PolarHBondContact O-N 3.29Å; H393-S396 WeakPolarHBondContact O-CB 3.33Å; H393-S396 PolarHBondContact O-N 2.67Å; H393-S396 PolarHBondContact O-OG 3.5Å; S396-E398 VanDerWaalsContact C-N 3.29Å; S396-E398 PolarHBondContact OG-N 2.91Å; S396-P399 WeakPolarHBondContact OG-CD 3.24Å
397	D	94.5	Very high	95.5	Very high	174 Å²	174	59.6 Å²	59.6	93%	0.93	30%	0.302	S	S	*	.	S	Bend	trans	-85.6	0.9	175.2	-61.2	-39.4	0	0	0	113.2
398	E	95.8	Very high	95.7	Very high	164 Å²	164	61 Å²	61	77%	0.766	32%	0.316	S	S	*	.	S	Bend	trans	-77.5	-48.4	-176.7	-64.4	-74.7	157.5	0	0	114.2	S396	S396-E398 VanDerWaalsContact C-N 3.29Å; S396-E398 PolarHBondContact OG-N 2.91Å
399	P	96.9	Very high	96.1	Very high	14 Å²	14	57.2 Å²	57.2	9%	0.091	30%	0.301	C	S	.	.	S	Bend	trans	-79.5	156.8	-178.5	33.5	-36.5	0	0	0	112.6	H393 S396 Y423	H393-P399 WeakPolarHBondContact O-CD 3.24Å; H393-P399 WeakPolarHBondContact O-CG 2.92Å; S396-P399 WeakPolarHBondContact OG-CD 3.24Å; P399-Y423 HydrophobicContact CB-CD2 3.62Å; P399-Y423 HydrophobicContact CB-CE2 3.56Å; P399-Y423 HydrophobicContact CG-CD2 3.86Å; P399-Y423 HydrophobicContact CG-CE2 3.81Å
400	E	97.5	Very high	96.4	Very high	100 Å²	100	56.9 Å²	56.9	47%	0.467	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.5	169.1	-169	-175.5	165	0	0	110.3	R402 P421 V422 Y423	E400-R402 VanDerWaalsContact CD-NE 3.27Å; E400-R402 HydrophobicContact CG-CG 4.33Å; E400-R402 IonicContact OE1-CZ 2.76Å; E400-R402 VanDerWaalsContact OE1-CZ 3.32Å; E400-R402 IonicContact OE1-NE 2.68Å; E400-R402 PolarHBondContact OE1-NE 3.35Å; E400-R402 IonicContact OE1-NH2 2.84Å; E400-R402 PolarHBondContact OE1-NH2 2.9Å; E400-R402 VanDerWaalsContact OE1-NH2 3.13Å; E400-R402 IonicContact OE2-CZ 3.98Å; E400-R402 IonicContact OE2-NE 3.03Å; E400-R402 IonicContact OE2-NH2 3.64Å; E400-R402 PolarHBondContact OE2-NH2 3.47Å; E400-P421 PolarHBondContact N-O 3.41Å; E400-V422 HydrophobicContact CB-CG2 4.28Å; E400-V422 CarbonylContact O-C 3.59Å; E400-V422 VanDerWaalsContact O-CA 3.3Å; E400-V422 WeakPolarHBondContact O-CA 3.44Å; E400-Y423 PolarHBondContact O-N 3.15Å
401	V	97.4	Very high	96.6	Very high	68 Å²	68	62.1 Å²	62.1	41%	0.412	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.8	-179.2	-176.5	0	0	0	0	109.5	V425	V401-V425 HydrophobicContact CG1-CB 4.35Å; V401-V425 HydrophobicContact CG1-CG2 3.14Å
402	R	97.9	Very high	96.7	Very high	82 Å²	82	63.9 Å²	63.9	31%	0.309	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155.2	-177.4	-60.4	-178.1	-172.5	153.7	10.2	111.5	E400 V422 Y423 F424 V425	E400-R402 VanDerWaalsContact CD-NE 3.27Å; E400-R402 HydrophobicContact CG-CG 4.33Å; E400-R402 IonicContact OE1-CZ 2.76Å; E400-R402 VanDerWaalsContact OE1-CZ 3.32Å; E400-R402 IonicContact OE1-NE 2.68Å; E400-R402 PolarHBondContact OE1-NE 3.35Å; E400-R402 IonicContact OE1-NH2 2.84Å; E400-R402 PolarHBondContact OE1-NH2 2.9Å; E400-R402 VanDerWaalsContact OE1-NH2 3.13Å; E400-R402 IonicContact OE2-CZ 3.98Å; E400-R402 IonicContact OE2-NE 3.03Å; E400-R402 IonicContact OE2-NH2 3.64Å; E400-R402 PolarHBondContact OE2-NH2 3.47Å; R402-V422 HydrophobicContact CG-CG1 4.33Å; R402-Y423 PolarHBondContact N-O 2.99Å; R402-F424 HydrophobicContact CB-CD1 4.01Å; R402-F424 HydrophobicContact CB-CE1 4.03Å; R402-F424 CarbonylContact O-C 3.48Å; R402-F424 WeakPolarHBondContact O-CA 3.48Å; R402-V425 PolarHBondContact O-N 2.91Å
403	E	97.8	Very high	96.7	Very high	117 Å²	117	65.4 Å²	65.4	55%	0.547	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.3	169.1	-171.4	-174.8	154.8	0	0	110.1	D405 F424 K435	E403-D405 PolarHBondContact O-N 2.83Å; E403-D405 VanDerWaalsContact O-N 3.11Å; E403-F424 WeakPolarHBondContact O-CD1 3.48Å; E403-K435 IonicContact OE1-NZ 3.03Å; E403-K435 PolarHBondContact OE1-NZ 3.48Å
404	F	97.9	Very high	96.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.			trans	-65.6	110.6	174.7	-178.1	-116.8	0	0	0	111.4	L361 T365 P406 A409 F424 V425 A432 K435	L361-F404 HydrophobicContact CD2-CE2 4.07Å; L361-F404 HydrophobicContact CD2-CZ 4.22Å; T365-F404 HydrophobicContact CG2-CD2 4Å; T365-F404 HydrophobicContact CG2-CE1 4.18Å; T365-F404 HydrophobicContact CG2-CE2 3.38Å; T365-F404 HydrophobicContact CG2-CZ 3.48Å; T365-F404 VanDerWaalsContact CG2-CZ 3.48Å; F404-P406 HydrophobicContact CE1-CG 3.88Å; F404-P406 HydrophobicContact CZ-CB 4.41Å; F404-P406 HydrophobicContact CZ-CG 3.86Å; F404-A409 HydrophobicContact CD2-CB 4.25Å; F404-A409 HydrophobicContact CE2-CB 4.01Å; F404-F424 HydrophobicContact CB-CB 4.22Å; F404-F424 HydrophobicContact CD2-CB 4.04Å; F404-F424 HydrophobicContact CD2-CG 4.44Å; F404-V425 WeakPolarHBondContact CB-O 3.2Å; F404-V425 PolarHBondContact N-O 3.32Å; F404-A432 HydrophobicContact CD1-CB 4.08Å; F404-A432 HydrophobicContact CE1-CB 4.15Å; F404-K435 WeakPolarHBondContact O-CD 3.1Å; F404-K435 PolarHBondContact O-NZ 2.98Å
405	D	97.6	Very high	96.2	Very high	79 Å²	79	70.2 Å²	70.2	42%	0.422	36%	0.363	S	S	.	.			trans	-124.2	115	167.1	172.4	15.1	0	0	0	108	E403 E407 A408 A409	E403-D405 PolarHBondContact O-N 2.83Å; E403-D405 VanDerWaalsContact O-N 3.11Å; D405-E407 VanDerWaalsContact C-N 3.27Å; D405-E407 PolarHBondContact O-N 3.43Å; D405-E407 PolarHBondContact OD1-N 3.02Å; D405-A408 HydrophobicContact CB-CB 4.26Å; D405-A408 PolarHBondContact O-N 2.97Å; D405-A409 VanDerWaalsContact O-CB 3.26Å; D405-A409 WeakPolarHBondContact O-CB 3.16Å; D405-A409 PolarHBondContact O-N 3.16Å
406	P	97.1	Very high	95.6	Very high	4 Å²	4	72.1 Å²	72.1	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-57.6	-34.8	-177.9	-25.8	33.5	0	0	0	114.6	L361 F404 A410 K435 Y439	L361-P406 HydrophobicContact CD1-CB 4.42Å; L361-P406 HydrophobicContact CD2-CB 3.99Å; L361-P406 WeakPolarHBondContact CD2-O 3.12Å; F404-P406 HydrophobicContact CE1-CG 3.88Å; F404-P406 HydrophobicContact CZ-CB 4.41Å; F404-P406 HydrophobicContact CZ-CG 3.86Å; P406-A410 WeakPolarHBondContact O-CB 3.44Å; P406-A410 PolarHBondContact O-N 2.87Å; P406-K435 HydrophobicContact CG-CB 3.86Å; P406-Y439 HydrophobicContact CB-CD1 4.48Å; P406-Y439 HydrophobicContact CB-CD2 3.79Å; P406-Y439 HydrophobicContact CB-CG 3.71Å
407	E	96.7	Very high	95	Very high	114 Å²	114	77.8 Å²	77.8	53%	0.533	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-43.2	-178.9	-67.3	-70.8	176.8	0	0	111	D405 Y439	D405-E407 VanDerWaalsContact C-N 3.27Å; D405-E407 PolarHBondContact O-N 3.43Å; D405-E407 PolarHBondContact OD1-N 3.02Å; E407-Y439 HydrophobicContact CG-CD2 4.2Å
408	A	97.2	Very high	94.6	Very high	50 Å²	50	73.9 Å²	73.9	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-73.1	-44.3	176.2	0	0	0	0	0	112.1	D405 A410 L411 Q412	D405-A408 HydrophobicContact CB-CB 4.26Å; D405-A408 PolarHBondContact O-N 2.97Å; A408-A410 PolarHBondContact O-N 2.96Å; A408-L411 PolarHBondContact O-N 2.66Å; A408-Q412 PolarHBondContact O-N 2.64Å
409	A	97.5	Very high	94.5	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-38.3	-177.3	0	0	0	0	0	112.1	T360 L361 F404 D405 L411 Q412 F424	T360-A409 WeakPolarHBondContact CG2-O 3.37Å; L361-A409 HydrophobicContact CD2-CB 3.85Å; F404-A409 HydrophobicContact CD2-CB 4.25Å; F404-A409 HydrophobicContact CE2-CB 4.01Å; D405-A409 VanDerWaalsContact O-CB 3.26Å; D405-A409 WeakPolarHBondContact O-CB 3.16Å; D405-A409 PolarHBondContact O-N 3.16Å; A409-L411 PolarHBondContact O-N 2.88Å; A409-L411 VanDerWaalsContact O-N 3.13Å; A409-Q412 WeakPolarHBondContact O-CB 3.31Å; A409-Q412 PolarHBondContact O-N 2.77Å; A409-Q412 VanDerWaalsContact O-N 3.13Å; A409-F424 HydrophobicContact CB-CD1 4.25Å; A409-F424 HydrophobicContact CB-CD2 4.22Å; A409-F424 HydrophobicContact CB-CE1 3.96Å; A409-F424 HydrophobicContact CB-CE2 3.92Å; A409-F424 HydrophobicContact CB-CG 4.36Å; A409-F424 HydrophobicContact CB-CZ 3.78Å
410	A	97.1	Very high	94.4	Very high	5 Å²	5	70.5 Å²	70.5	4%	0.041	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.4	178.8	0	0	0	0	0	114.3	K357 L361 P406 A408 Y439	K357-A410 HydrophobicContact CB-CB 4.03Å; K357-A410 HydrophobicContact CG-CB 4.23Å; L361-A410 HydrophobicContact CD1-CB 4.22Å; L361-A410 HydrophobicContact CD2-CB 4.12Å; L361-A410 HydrophobicContact CG-CB 3.95Å; P406-A410 WeakPolarHBondContact O-CB 3.44Å; P406-A410 PolarHBondContact O-N 2.87Å; A408-A410 PolarHBondContact O-N 2.96Å; A410-Y439 HydrophobicContact CB-CE2 4.17Å
411	L	96.8	Very high	94.3	Very high	123 Å²	123	69.6 Å²	69.6	64%	0.644	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-4.5	179.7	-60.4	177.5	0	0	0	112.8	A408 A409 P413	A408-L411 PolarHBondContact O-N 2.66Å; A409-L411 PolarHBondContact O-N 2.88Å; A409-L411 VanDerWaalsContact O-N 3.13Å; L411-P413 VanDerWaalsContact O-CD 3.27Å; L411-P413 WeakPolarHBondContact O-CD 3.4Å
412	Q	97.5	Very high	94.3	Very high	37 Å²	37	66.8 Å²	66.8	17%	0.173	34%	0.343	C	S	.	.			trans	-72.7	121.3	-177.3	173.9	61.1	54.8	0	0	110.1	T360 F364 A408 A409 F424	T360-Q412 WeakPolarHBondContact CG2-O 3.27Å; F364-Q412 HydrophobicContact CD2-CB 4.31Å; F364-Q412 HydrophobicContact CD2-CG 4.44Å; F364-Q412 HydrophobicContact CE1-CG 4.17Å; F364-Q412 HydrophobicContact CE2-CB 3.61Å; F364-Q412 HydrophobicContact CE2-CG 3.5Å; F364-Q412 WeakPolarHBondContact CE2-O 3.41Å; F364-Q412 HydrophobicContact CZ-CB 4.01Å; F364-Q412 HydrophobicContact CZ-CG 3.33Å; A408-Q412 PolarHBondContact O-N 2.64Å; A409-Q412 WeakPolarHBondContact O-CB 3.31Å; A409-Q412 PolarHBondContact O-N 2.77Å; A409-Q412 VanDerWaalsContact O-N 3.13Å; Q412-F424 HydrophobicContact CB-CE2 4.11Å; Q412-F424 HydrophobicContact CB-CZ 4.22Å; Q412-F424 HydrophobicContact CG-CE2 4.01Å; Q412-F424 HydrophobicContact CG-CZ 4.37Å
413	P	94.6	Very high	94.3	Very high	104 Å²	104	62.9 Å²	62.9	68%	0.675	33%	0.329	S	S	*	.			trans	-65.2	146.1	172.3	-21.1	33.9	0	0	0	111.7	L411	L411-P413 VanDerWaalsContact O-CD 3.27Å; L411-P413 WeakPolarHBondContact O-CD 3.4Å
414	Y	92.1	Very high	94.3	Very high	93 Å²	93	57.5 Å²	57.5	37%	0.365	30%	0.303	S	S	.	.			trans	-140.6	171.3	175.5	66.3	-92.6	0	0	0	111.8	T360 W363 F364	T360-Y414 HydrophobicContact CG2-CD1 4.06Å; T360-Y414 HydrophobicContact CG2-CE1 4.03Å; W363-Y414 HydrophobicContact CB-CD1 4.43Å; W363-Y414 HydrophobicContact CB-CE1 4.2Å; W363-Y414 HydrophobicContact CB-CE2 4.5Å; W363-Y414 AromaticContact CD1-CD1 3.96Å; W363-Y414 AromaticContact CD1-CD2 3.83Å; W363-Y414 AromaticContact CD1-CG 3.58Å; W363-Y414 AromaticContact CD2-CD2 3.5Å; W363-Y414 HydrophobicContact CD2-CD2 3.5Å; W363-Y414 AromaticContact CD2-CE2 3.54Å; W363-Y414 HydrophobicContact CD2-CE2 3.54Å; W363-Y414 HydrophobicContact CD2-CG 4.07Å; W363-Y414 AromaticContact CE2-CD2 3.3Å; W363-Y414 AromaticContact CE2-CE2 3.84Å; W363-Y414 AromaticContact CE2-CG 3.84Å; W363-Y414 HydrophobicContact CE3-CD2 4.05Å; W363-Y414 AromaticContact CE3-CE2 3.68Å; W363-Y414 HydrophobicContact CE3-CE2 3.68Å; W363-Y414 HydrophobicContact CG-CD1 4.1Å; W363-Y414 AromaticContact CG-CD2 3.83Å; W363-Y414 HydrophobicContact CG-CD2 3.83Å; W363-Y414 HydrophobicContact CG-CE1 4.21Å; W363-Y414 AromaticContact CG-CE2 3.94Å; W363-Y414 HydrophobicContact CG-CE2 3.94Å; W363-Y414 AromaticContact CG-CG 3.9Å; W363-Y414 HydrophobicContact CG-CG 3.9Å; W363-Y414 HydrophobicContact CH2-CD2 4.2Å; W363-Y414 HydrophobicContact CH2-CE2 4.31Å; W363-Y414 AromaticContact CZ2-CD2 3.68Å; W363-Y414 HydrophobicContact CZ2-CD2 3.68Å; W363-Y414 HydrophobicContact CZ2-CE2 4.21Å; W363-Y414 HydrophobicContact CZ3-CD2 4.37Å; W363-Y414 HydrophobicContact CZ3-CE2 4.07Å; W363-Y414 AromaticContact NE1-CD2 3.54Å; W363-Y414 AromaticContact NE1-CG 3.55Å; F364-Y414 HydrophobicContact CE2-CD1 4.12Å; F364-Y414 HydrophobicContact CZ-CD1 4.48Å
415	Q	88.6	Confident	94.3	Very high	52 Å²	52	57.7 Å²	57.7	24%	0.243	31%	0.305	C	S	.	.			trans	-144.7	159.4	178.3	59.2	74.5	54.6	0	0	110.4	W363 T418 Q420	W363-Q415 WeakPolarHBondContact CZ2-O 3.35Å; Q415-T418 PolarHBondContact NE2-O 3.18Å; Q415-T418 PolarHBondContact NE2-OG1 2.8Å; Q415-T418 VanDerWaalsContact NE2-OG1 3.16Å; Q415-T418 PolarHBondContact OE1-OG1 3.23Å; Q415-Q420 PolarHBondContact O-NE2 2.81Å; Q415-Q420 PolarHBondContact O-OE1 3.4Å
416	D	83.4	Confident	94.3	Very high	93 Å²	93	54 Å²	54	50%	0.497	29%	0.285	S	S	.	.	S	Bend	trans	-113.2	7.1	-173.5	58.7	-7.6	0	0	0	113.9	K174 W363	K174-D416 IonicContact NZ-OD2 3.79Å; W363-D416 HydrophobicContact CH2-CB 3.98Å
417	Q	83.1	Confident	94.2	Very high	160 Å²	160	57.4 Å²	57.4	75%	0.748	30%	0.3	S	S	*	.	S	Bend	trans	-98.5	-30	-172.9	-60.5	-177	-3.9	0	0	114.3
418	T	86.9	Confident	93.9	Very high	93 Å²	93	54.2 Å²	54.2	57%	0.571	29%	0.291	S	S	*	.	S	Bend	trans	-134.3	175.5	-173.6	60.7	0	0	0	0	110.6	Q415 Q420	Q415-T418 PolarHBondContact NE2-O 3.18Å; Q415-T418 PolarHBondContact NE2-OG1 2.8Å; Q415-T418 VanDerWaalsContact NE2-OG1 3.16Å; Q415-T418 PolarHBondContact OE1-OG1 3.23Å; T418-Q420 PolarHBondContact O-NE2 3.22Å
419	Y	92.3	Very high	93.5	Very high	105 Å²	105	52.6 Å²	52.6	41%	0.412	27%	0.274	S	S	.	.			trans	-64.7	144.6	176.4	-58.2	-26.3	0	0	0	111.6	E390 H393	E390-Y419 HydrophobicContact CB-CD1 3.84Å; E390-Y419 HydrophobicContact CB-CE1 3.99Å; E390-Y419 HydrophobicContact CG-CD1 3.84Å; E390-Y419 HydrophobicContact CG-CE1 4.49Å; E390-Y419 HydrophobicContact CG-CG 4.27Å; H393-Y419 HydrophobicContact CB-CD2 3.86Å; H393-Y419 HydrophobicContact CB-CE2 4.31Å; H393-Y419 HydrophobicContact CB-CG 4.38Å; H393-Y419 AromaticContact CG-CD2 3.72Å; H393-Y419 AromaticContact ND1-CD2 3.97Å
420	Q	94.8	Very high	93.2	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.297	C	S	.	.			trans	-64.1	133.5	-178.9	-51.7	-55.6	-67.2	0	0	111	W363 Y368 E390 H393 Q415 T418 V422 Y423	W363-Q420 VanDerWaalsContact NE1-OE1 3.12Å; Y368-Q420 HydrophobicContact CD1-CG 3.81Å; Y368-Q420 HydrophobicContact CD2-CG 4.37Å; Y368-Q420 HydrophobicContact CE1-CG 4.15Å; Y368-Q420 HydrophobicContact CG-CG 3.93Å; E390-Q420 WeakPolarHBondContact OE1-CG 3.3Å; E390-Q420 PolarHBondContact OE1-N 2.81Å; H393-Q420 PolarHBondContact NE2-O 2.71Å; Q415-Q420 PolarHBondContact O-NE2 2.81Å; Q415-Q420 PolarHBondContact O-OE1 3.4Å; T418-Q420 PolarHBondContact O-NE2 3.22Å; Q420-V422 VanDerWaalsContact C-N 3.31Å; Q420-Y423 HydrophobicContact CB-CD1 4.27Å; Q420-Y423 HydrophobicContact CB-CE1 3.61Å; Q420-Y423 HydrophobicContact CB-CE2 4.17Å; Q420-Y423 HydrophobicContact CG-CE1 3.89Å; Q420-Y423 PolarHBondContact N-OH 2.83Å; Q420-Y423 VanDerWaalsContact O-CE2 3.3Å; Q420-Y423 WeakPolarHBondContact O-CE2 3.38Å
421	P	95.4	Very high	92.9	Very high	82 Å²	82	58 Å²	58	53%	0.532	31%	0.307	S	S	.	.	S	Bend	trans	-78.7	-19.2	174.2	31.3	-34.5	0	0	0	112.4	E400	E400-P421 PolarHBondContact N-O 3.41Å
422	V	97.3	Very high	92.7	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.9	-176.3	-177.1	0	0	0	0	109.6	E400 R402 Q420 F424	E400-V422 HydrophobicContact CB-CG2 4.28Å; E400-V422 CarbonylContact O-C 3.59Å; E400-V422 VanDerWaalsContact O-CA 3.3Å; E400-V422 WeakPolarHBondContact O-CA 3.44Å; R402-V422 HydrophobicContact CG-CG1 4.33Å; Q420-V422 VanDerWaalsContact C-N 3.31Å; V422-F424 HydrophobicContact CG1-CE2 4.33Å
423	Y	98.2	Very high	92.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.9	171.4	-62	-80.2	0	0	0	111	Y368 L370 L384 E390 H393 P399 E400 R402 Q420	Y368-Y423 HydrophobicContact CD1-CE1 4.1Å; Y368-Y423 WeakPolarHBondContact O-CD1 3.3Å; L370-Y423 HydrophobicContact CD1-CG 4.12Å; L384-Y423 HydrophobicContact CD2-CE1 3.72Å; E390-Y423 WeakPolarHBondContact CG-OH 3.36Å; E390-Y423 PolarHBondContact OE1-OH 3.5Å; E390-Y423 VanDerWaalsContact OE1-OH 3.14Å; H393-Y423 AromaticContact CD2-CE2 3.99Å; H393-Y423 PolarHBondContact CD2-OH 3.35Å; P399-Y423 HydrophobicContact CB-CD2 3.62Å; P399-Y423 HydrophobicContact CB-CE2 3.56Å; P399-Y423 HydrophobicContact CG-CD2 3.86Å; P399-Y423 HydrophobicContact CG-CE2 3.81Å; E400-Y423 PolarHBondContact O-N 3.15Å; R402-Y423 PolarHBondContact N-O 2.99Å; Q420-Y423 HydrophobicContact CB-CD1 4.27Å; Q420-Y423 HydrophobicContact CB-CE1 3.61Å; Q420-Y423 HydrophobicContact CB-CE2 4.17Å; Q420-Y423 HydrophobicContact CG-CE1 3.89Å; Q420-Y423 PolarHBondContact N-OH 2.83Å; Q420-Y423 VanDerWaalsContact O-CE2 3.3Å; Q420-Y423 WeakPolarHBondContact O-CE2 3.38Å
424	F	98.4	Very high	92.3	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.2	174.2	-72	-90.1	0	0	0	111.1	F364 L370 R402 E403 F404 A409 Q412 V422	F364-F424 HydrophobicContact CB-CD2 3.67Å; F364-F424 HydrophobicContact CB-CE2 4.27Å; F364-F424 HydrophobicContact CB-CG 4.45Å; F364-F424 AromaticContact CD1-CD2 3.54Å; F364-F424 HydrophobicContact CD1-CD2 3.54Å; F364-F424 AromaticContact CD1-CE2 3.85Å; F364-F424 HydrophobicContact CD1-CE2 3.85Å; F364-F424 HydrophobicContact CD2-CD2 4.28Å; F364-F424 HydrophobicContact CD2-CE2 4.05Å; F364-F424 HydrophobicContact CE1-CD2 4.24Å; F364-F424 HydrophobicContact CE1-CE2 4.18Å; F364-F424 HydrophobicContact CE2-CE2 4.39Å; F364-F424 AromaticContact CG-CD2 3.55Å; F364-F424 HydrophobicContact CG-CD2 3.55Å; F364-F424 AromaticContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CG-CE2 3.78Å; F364-F424 HydrophobicContact CZ-CE2 4.44Å; L370-F424 PolarHBondContact N-O 3.24Å; L370-F424 VanDerWaalsContact N-O 3.08Å; R402-F424 HydrophobicContact CB-CD1 4.01Å; R402-F424 HydrophobicContact CB-CE1 4.03Å; R402-F424 CarbonylContact O-C 3.48Å; R402-F424 WeakPolarHBondContact O-CA 3.48Å; E403-F424 WeakPolarHBondContact O-CD1 3.48Å; F404-F424 HydrophobicContact CB-CB 4.22Å; F404-F424 HydrophobicContact CD2-CB 4.04Å; F404-F424 HydrophobicContact CD2-CG 4.44Å; A409-F424 HydrophobicContact CB-CD1 4.25Å; A409-F424 HydrophobicContact CB-CD2 4.22Å; A409-F424 HydrophobicContact CB-CE1 3.96Å; A409-F424 HydrophobicContact CB-CE2 3.92Å; A409-F424 HydrophobicContact CB-CG 4.36Å; A409-F424 HydrophobicContact CB-CZ 3.78Å; Q412-F424 HydrophobicContact CB-CE2 4.11Å; Q412-F424 HydrophobicContact CB-CZ 4.22Å; Q412-F424 HydrophobicContact CG-CE2 4.01Å; Q412-F424 HydrophobicContact CG-CZ 4.37Å; V422-F424 HydrophobicContact CG1-CE2 4.33Å
425	V	98.3	Very high	92.5	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.1	179.9	-178.6	0	0	0	0	109.9	L370 K372 V377 V401 R402 F404	L370-V425 HydrophobicContact CB-CB 4.37Å; L370-V425 HydrophobicContact CB-CG2 3.69Å; L370-V425 HydrophobicContact CD1-CG2 4.02Å; L370-V425 CarbonylContact O-C 3.57Å; L370-V425 VanDerWaalsContact O-CA 3.28Å; L370-V425 WeakPolarHBondContact O-CA 3.47Å; K372-V425 HydrophobicContact CD-CG1 4.39Å; K372-V425 HydrophobicContact CG-CG1 3.64Å; V377-V425 HydrophobicContact CG1-CG1 4.5Å; V377-V425 HydrophobicContact CG1-CG2 4.02Å; V401-V425 HydrophobicContact CG1-CB 4.35Å; V401-V425 HydrophobicContact CG1-CG2 3.14Å; R402-V425 PolarHBondContact O-N 2.91Å; F404-V425 WeakPolarHBondContact CB-O 3.2Å; F404-V425 PolarHBondContact N-O 3.32Å
426	S	96.7	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.4	169.6	-63.2	0	0	0	0	110.8	L370 C371 K372 S428 A432	L370-S426 PolarHBondContact O-N 3.4Å; C371-S426 CarbonylContact C-O 3.49Å; C371-S426 VanDerWaalsContact CA-O 3.27Å; C371-S426 WeakPolarHBondContact CA-O 3.16Å; K372-S426 PolarHBondContact N-O 3.08Å; S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 2.71Å; S426-A432 WeakPolarHBondContact OG-CB 3.34Å
427	E	94.6	Very high	93	Very high	77 Å²	77	49.7 Å²	49.7	36%	0.36	25%	0.249	S	C	.	.	S	Bend	trans	-62.5	-38	173.6	-70.5	-59.7	132.5	0	0	111.3	K372 D431	K372-E427 WeakPolarHBondContact CD-OE1 3.47Å; K372-E427 WeakPolarHBondContact CD-OE2 3.3Å; K372-E427 VanDerWaalsContact CE-OE1 3.31Å; K372-E427 WeakPolarHBondContact CE-OE1 3.41Å; K372-E427 IonicContact NZ-OE1 2.82Å; K372-E427 PolarHBondContact NZ-OE1 3.29Å; K372-E427 IonicContact NZ-OE2 2.72Å; E427-D431 HydrophobicContact CB-CB 4.21Å
428	S	90.5	Very high	93.6	Very high	47 Å²	47	46 Å²	46	33%	0.329	24%	0.237	S	C	.	.			trans	-163.8	164.4	172.5	66.4	0	0	0	0	110.1	S426 D431 A432	S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 2.71Å; S428-D431 PolarHBondContact O-N 3.35Å; S428-D431 WeakPolarHBondContact OG-CB 3.43Å; S428-D431 PolarHBondContact OG-N 3.15Å; S428-A432 PolarHBondContact O-N 3.47Å
429	F	88.6	Confident	94	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.066	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-39.1	173.9	-61.5	-49.5	0	0	0	113.8	E242 M330 T335 F336 Y380 A432 K433	E242-F429 HydrophobicContact CB-CE2 4.22Å; E242-F429 VanDerWaalsContact CD-CE2 3.48Å; E242-F429 HydrophobicContact CG-CD2 4.25Å; E242-F429 HydrophobicContact CG-CE2 3.81Å; M330-F429 HydrophobicContact CE-CE1 4.18Å; M330-F429 HydrophobicContact CE-CE2 3.73Å; M330-F429 HydrophobicContact CE-CZ 3.38Å; T335-F429 HydrophobicContact CG2-CB 3.65Å; F336-F429 HydrophobicContact CD2-CD1 4.45Å; F336-F429 HydrophobicContact CD2-CE1 4.2Å; Y380-F429 AromaticContact CD1-CE1 3.65Å; Y380-F429 HydrophobicContact CD1-CE1 3.65Å; Y380-F429 HydrophobicContact CD1-CZ 4.09Å; Y380-F429 AromaticContact CD2-CE1 3.78Å; Y380-F429 HydrophobicContact CD2-CE1 3.78Å; Y380-F429 HydrophobicContact CD2-CZ 4.27Å; Y380-F429 AromaticContact CE1-CE1 3.9Å; Y380-F429 HydrophobicContact CE1-CE1 3.9Å; Y380-F429 HydrophobicContact CE2-CE1 4.06Å; Y380-F429 AromaticContact CG-CE1 3.57Å; Y380-F429 HydrophobicContact CG-CE1 3.57Å; Y380-F429 AromaticContact CG-CZ 3.8Å; Y380-F429 HydrophobicContact CG-CZ 3.8Å; F429-A432 PolarHBondContact O-N 3.26Å; F429-K433 VanDerWaalsContact O-CB 3.31Å; F429-K433 WeakPolarHBondContact O-CB 3.15Å; F429-K433 PolarHBondContact O-N 2.99Å
430	P	91.2	Very high	94	Very high	73 Å²	73	38.9 Å²	38.9	47%	0.474	20%	0.202	S	C	.	.	H	α-helix	trans	-60	-41.1	171.1	-27.4	36.9	0	0	0	114	T335 K433 E434	T335-P430 HydrophobicContact CG2-CG 4.29Å; P430-K433 PolarHBondContact O-N 3.2Å; P430-E434 WeakPolarHBondContact O-CB 3.3Å; P430-E434 PolarHBondContact O-N 2.87Å
431	D	91.6	Very high	93.8	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.251	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-51.1	175.9	176.7	66.6	0	0	0	111.2	E427 S428 K433 E434 K435	E427-D431 HydrophobicContact CB-CB 4.21Å; S428-D431 PolarHBondContact O-N 3.35Å; S428-D431 WeakPolarHBondContact OG-CB 3.43Å; S428-D431 PolarHBondContact OG-N 3.15Å; D431-K433 VanDerWaalsContact C-N 3.29Å; D431-K433 PolarHBondContact O-N 3.15Å; D431-E434 PolarHBondContact O-N 2.87Å; D431-E434 VanDerWaalsContact O-N 3.11Å; D431-K435 PolarHBondContact O-N 3.3Å; D431-K435 IonicContact OD1-NZ 2.72Å; D431-K435 VanDerWaalsContact OD2-CE 3.28Å; D431-K435 WeakPolarHBondContact OD2-CE 3.44Å; D431-K435 IonicContact OD2-NZ 2.61Å; D431-K435 PolarHBondContact OD2-NZ 3.4Å
432	A	92.4	Very high	93.5	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-42.6	177.1	0	0	0	0	0	112.1	F404 S426 S428 F429 E434 F436	F404-A432 HydrophobicContact CD1-CB 4.08Å; F404-A432 HydrophobicContact CE1-CB 4.15Å; S426-A432 WeakPolarHBondContact OG-CB 3.34Å; S428-A432 PolarHBondContact O-N 3.47Å; F429-A432 PolarHBondContact O-N 3.26Å; A432-E434 VanDerWaalsContact C-N 3.35Å; A432-E434 PolarHBondContact O-N 3.2Å; A432-F436 WeakPolarHBondContact O-CB 3.5Å; A432-F436 PolarHBondContact O-N 3.45Å
433	K	91.5	Very high	93.2	Very high	55 Å²	55	42 Å²	42	24%	0.239	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-41.6	176.8	-172.5	179.6	75	-176.9	0	112.2	Q338 F429 P430 D431 R437	Q338-K433 HydrophobicContact CB-CD 4.33Å; F429-K433 VanDerWaalsContact O-CB 3.31Å; F429-K433 WeakPolarHBondContact O-CB 3.15Å; F429-K433 PolarHBondContact O-N 2.99Å; P430-K433 PolarHBondContact O-N 3.2Å; D431-K433 VanDerWaalsContact C-N 3.29Å; D431-K433 PolarHBondContact O-N 3.15Å; K433-R437 WeakPolarHBondContact O-CB 3.25Å; K433-R437 PolarHBondContact O-N 3.42Å
434	E	92.4	Very high	92.7	Very high	88 Å²	88	51.2 Å²	51.2	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-74	-43.3	-178.5	-176.9	58.5	-165.3	0	0	112.4	P430 D431 A432 F436 R437 T438	P430-E434 WeakPolarHBondContact O-CB 3.3Å; P430-E434 PolarHBondContact O-N 2.87Å; D431-E434 PolarHBondContact O-N 2.87Å; D431-E434 VanDerWaalsContact O-N 3.11Å; A432-E434 VanDerWaalsContact C-N 3.35Å; A432-E434 PolarHBondContact O-N 3.2Å; E434-F436 VanDerWaalsContact C-N 3.31Å; E434-F436 PolarHBondContact O-N 3.05Å; E434-R437 PolarHBondContact O-N 3.36Å; E434-R437 IonicContact OE1-CZ 2.68Å; E434-R437 IonicContact OE1-NE 3.78Å; E434-R437 PolarHBondContact OE1-NE 3.27Å; E434-R437 IonicContact OE1-NH2 2.76Å; E434-R437 PolarHBondContact OE1-NH2 3.27Å; E434-R437 IonicContact OE2-CZ 2.66Å; E434-R437 IonicContact OE2-NE 3.62Å; E434-R437 PolarHBondContact OE2-NE 3.39Å; E434-R437 IonicContact OE2-NH2 2.93Å; E434-T438 PolarHBondContact O-N 3.44Å; E434-T438 PolarHBondContact O-OG1 3.25Å
435	K	95.5	Very high	92.1	Very high	46 Å²	46	53.6 Å²	53.6	20%	0.2	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-47.3	171.5	-73.7	177.6	173.3	169.9	0	110.6	E403 F404 P406 D431 R437 T438 Y439	E403-K435 IonicContact OE1-NZ 3.03Å; E403-K435 PolarHBondContact OE1-NZ 3.48Å; F404-K435 WeakPolarHBondContact O-CD 3.1Å; F404-K435 PolarHBondContact O-NZ 2.98Å; P406-K435 HydrophobicContact CG-CB 3.86Å; D431-K435 PolarHBondContact O-N 3.3Å; D431-K435 IonicContact OD1-NZ 2.72Å; D431-K435 VanDerWaalsContact OD2-CE 3.28Å; D431-K435 WeakPolarHBondContact OD2-CE 3.44Å; D431-K435 IonicContact OD2-NZ 2.61Å; D431-K435 PolarHBondContact OD2-NZ 3.4Å; K435-R437 PolarHBondContact O-N 3.49Å; K435-T438 WeakPolarHBondContact O-CB 3.48Å; K435-T438 PolarHBondContact O-N 2.84Å; K435-Y439 PolarHBondContact O-N 2.82Å
436	F	93.6	Very high	91.5	Very high	1 Å²	1	58 Å²	58	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-42.6	177.1	-176.9	-99.6	0	0	0	112.8	F339 N342 L343 A346 L358 L361 A432 E434 T438 Y439 V440	F339-F436 HydrophobicContact CD2-CB 4.35Å; F339-F436 HydrophobicContact CD2-CD1 4.49Å; F339-F436 HydrophobicContact CD2-CG 4.44Å; F339-F436 HydrophobicContact CE2-CB 3.78Å; F339-F436 HydrophobicContact CE2-CD1 4.24Å; F339-F436 HydrophobicContact CE2-CD2 4.25Å; F339-F436 AromaticContact CE2-CG 3.82Å; F339-F436 HydrophobicContact CE2-CG 3.82Å; N342-F436 HydrophobicContact CB-CD1 4.2Å; N342-F436 HydrophobicContact CB-CE1 3.98Å; L343-F436 HydrophobicContact CB-CE1 4.49Å; L343-F436 HydrophobicContact CB-CZ 4.2Å; L343-F436 HydrophobicContact CD2-CD2 4.43Å; L343-F436 HydrophobicContact CD2-CE1 4.33Å; L343-F436 HydrophobicContact CD2-CE2 3.43Å; L343-F436 VanDerWaalsContact CD2-CE2 3.43Å; L343-F436 HydrophobicContact CD2-CZ 3.38Å; L343-F436 HydrophobicContact CG-CE1 4Å; L343-F436 HydrophobicContact CG-CE2 3.91Å; L343-F436 HydrophobicContact CG-CZ 3.55Å; A346-F436 HydrophobicContact CB-CZ 4.25Å; L358-F436 HydrophobicContact CD2-CE2 3.92Å; L358-F436 HydrophobicContact CD2-CZ 3.78Å; L361-F436 HydrophobicContact CD1-CD2 4.11Å; L361-F436 HydrophobicContact CD1-CE2 3.81Å; A432-F436 WeakPolarHBondContact O-CB 3.5Å; A432-F436 PolarHBondContact O-N 3.45Å; E434-F436 VanDerWaalsContact C-N 3.31Å; E434-F436 PolarHBondContact O-N 3.05Å; F436-T438 PolarHBondContact O-N 3.33Å; F436-Y439 WeakPolarHBondContact O-CB 3.2Å; F436-Y439 PolarHBondContact O-N 2.91Å; F436-V440 HydrophobicContact CD1-CG2 3.93Å; F436-V440 HydrophobicContact CD2-CG2 4.38Å; F436-V440 HydrophobicContact CE1-CG2 3.36Å; F436-V440 HydrophobicContact CE2-CG2 3.88Å; F436-V440 HydrophobicContact CG-CG2 4.39Å; F436-V440 HydrophobicContact CZ-CG2 3.3Å; F436-V440 WeakPolarHBondContact O-CG2 3.44Å; F436-V440 PolarHBondContact O-N 3.44Å
437	R	90.6	Very high	91.2	Very high	135 Å²	135	59 Å²	59	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-39.6	175.7	-171.6	-171.8	71.4	75.3	-0.1	111.6	K433 E434 K435 A441	K433-R437 WeakPolarHBondContact O-CB 3.25Å; K433-R437 PolarHBondContact O-N 3.42Å; E434-R437 PolarHBondContact O-N 3.36Å; E434-R437 IonicContact OE1-CZ 2.68Å; E434-R437 IonicContact OE1-NE 3.78Å; E434-R437 PolarHBondContact OE1-NE 3.27Å; E434-R437 IonicContact OE1-NH2 2.76Å; E434-R437 PolarHBondContact OE1-NH2 3.27Å; E434-R437 IonicContact OE2-CZ 2.66Å; E434-R437 IonicContact OE2-NE 3.62Å; E434-R437 PolarHBondContact OE2-NE 3.39Å; E434-R437 IonicContact OE2-NH2 2.93Å; K435-R437 PolarHBondContact O-N 3.49Å; R437-A441 PolarHBondContact O-N 3.33Å
438	T	94.4	Very high	91	Very high	83 Å²	83	58.9 Å²	58.9	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-46.4	176.9	-57.1	0	0	0	0	111.2	E434 K435 F436 V440 A441	E434-T438 PolarHBondContact O-N 3.44Å; E434-T438 PolarHBondContact O-OG1 3.25Å; K435-T438 WeakPolarHBondContact O-CB 3.48Å; K435-T438 PolarHBondContact O-N 2.84Å; F436-T438 PolarHBondContact O-N 3.33Å; T438-V440 PolarHBondContact O-N 2.8Å; T438-A441 WeakPolarHBondContact O-CB 3.36Å; T438-A441 PolarHBondContact O-N 2.89Å
439	Y	95.1	Very high	91.1	Very high	21 Å²	21	57.8 Å²	57.8	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-57.3	-48.8	174.9	176.1	-93.1	0	0	0	112.4	K357 L361 P406 E407 A410 K435 F436 A441 G442 I443	K357-Y439 WeakPolarHBondContact CB-OH 3.49Å; L361-Y439 HydrophobicContact CD1-CD1 3.66Å; L361-Y439 HydrophobicContact CD1-CE1 3.41Å; L361-Y439 VanDerWaalsContact CD1-CE1 3.41Å; L361-Y439 HydrophobicContact CD1-CG 4.38Å; P406-Y439 HydrophobicContact CB-CD1 4.48Å; P406-Y439 HydrophobicContact CB-CD2 3.79Å; P406-Y439 HydrophobicContact CB-CG 3.71Å; E407-Y439 HydrophobicContact CG-CD2 4.2Å; A410-Y439 HydrophobicContact CB-CE2 4.17Å; K435-Y439 PolarHBondContact O-N 2.82Å; F436-Y439 WeakPolarHBondContact O-CB 3.2Å; F436-Y439 PolarHBondContact O-N 2.91Å; Y439-A441 PolarHBondContact O-N 3.4Å; Y439-G442 PolarHBondContact O-N 2.91Å; Y439-I443 HydrophobicContact CE1-CD1 4.41Å
440	V	92.3	Very high	91.3	Very high	26 Å²	26	60.7 Å²	60.7	16%	0.158	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-27.7	-179.3	171.2	0	0	0	0	112.7	A346 F436 T438 G442 I443	A346-V440 HydrophobicContact CB-CB 4.3Å; A346-V440 HydrophobicContact CB-CG1 3.62Å; A346-V440 HydrophobicContact CB-CG2 3.59Å; F436-V440 HydrophobicContact CD1-CG2 3.93Å; F436-V440 HydrophobicContact CD2-CG2 4.38Å; F436-V440 HydrophobicContact CE1-CG2 3.36Å; F436-V440 HydrophobicContact CE2-CG2 3.88Å; F436-V440 HydrophobicContact CG-CG2 4.39Å; F436-V440 HydrophobicContact CZ-CG2 3.3Å; F436-V440 WeakPolarHBondContact O-CG2 3.44Å; F436-V440 PolarHBondContact O-N 3.44Å; T438-V440 PolarHBondContact O-N 2.8Å; V440-G442 PolarHBondContact O-N 2.82Å; V440-I443 HydrophobicContact CB-CD1 4.41Å; V440-I443 HydrophobicContact CG1-CD1 4.34Å; V440-I443 HydrophobicContact CG2-CD1 4.23Å; V440-I443 WeakPolarHBondContact O-CB 3.3Å; V440-I443 PolarHBondContact O-N 3.23Å; V440-I443 VanDerWaalsContact O-N 3.09Å
441	A	90.2	Very high	91.5	Very high	84 Å²	84	58.8 Å²	58.8	69%	0.694	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.5	174.4	0	0	0	0	0	112.9	R437 T438 Y439	R437-A441 PolarHBondContact O-N 3.33Å; T438-A441 WeakPolarHBondContact O-CB 3.36Å; T438-A441 PolarHBondContact O-N 2.89Å; Y439-A441 PolarHBondContact O-N 3.4Å
442	G	90.5	Very high	91.6	Very high	58 Å²	58	57.6 Å²	57.6	60%	0.598	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.7	173.6	0	0	0	0	0	114.7	Y439 V440 K444	Y439-G442 PolarHBondContact O-N 2.91Å; V440-G442 PolarHBondContact O-N 2.82Å; G442-K444 PolarHBondContact O-N 2.75Å
443	I	90.3	Very high	91.6	Very high	17 Å²	17	61.1 Å²	61.1	9%	0.087	33%	0.331	C	S	.	.	S	Bend	trans	-69.5	117.9	-178.9	-62.5	176.7	0	0	0	109.7	A346 D354 L358 Y439 V440 R445	A346-I443 HydrophobicContact CB-CD1 4.3Å; D354-I443 HydrophobicContact CB-CG2 4.31Å; L358-I443 HydrophobicContact CD1-CD1 4.19Å; L358-I443 HydrophobicContact CD2-CD1 4.14Å; L358-I443 HydrophobicContact CG-CD1 4.32Å; Y439-I443 HydrophobicContact CE1-CD1 4.41Å; V440-I443 HydrophobicContact CB-CD1 4.41Å; V440-I443 HydrophobicContact CG1-CD1 4.34Å; V440-I443 HydrophobicContact CG2-CD1 4.23Å; V440-I443 WeakPolarHBondContact O-CB 3.3Å; V440-I443 PolarHBondContact O-N 3.23Å; V440-I443 VanDerWaalsContact O-N 3.09Å; I443-R445 HydrophobicContact CG2-CG 4.3Å; I443-R445 PolarHBondContact O-N 2.9Å
444	K	87.1	Confident	91.6	Very high	193 Å²	193	68 Å²	68	84%	0.839	36%	0.357	S	S	*	.			trans	-81	114.1	-176.7	-65.2	-174.7	-177.2	175.8	0	111	G442	G442-K444 PolarHBondContact O-N 2.75Å
445	R	87.1	Confident	91.5	Very high	52 Å²	52	68 Å²	68	20%	0.196	36%	0.363	C	S	.	.			trans	-133.6	150.6	171	-69.4	178.3	-70.5	179	-4.7	110	L345 A346 L348 I443 F447	L345-R445 PolarHBondContact O-NH1 2.67Å; A346-R445 PolarHBondContact O-NH1 3.35Å; L348-R445 WeakPolarHBondContact O-CD 3.44Å; L348-R445 PolarHBondContact O-NH1 2.75Å; I443-R445 HydrophobicContact CG2-CG 4.3Å; I443-R445 PolarHBondContact O-N 2.9Å; R445-F447 WeakPolarHBondContact CB-O 3.48Å; R445-F447 PolarHBondContact O-N 3.32Å; R445-F447 VanDerWaalsContact O-N 3.12Å
446	P	85.2	Confident	91.5	Very high	99 Å²	99	67.9 Å²	67.9	64%	0.643	37%	0.368	S	S	*	.	S	Bend	trans	-73.1	1	179.1	28.6	-31.4	0	0	0	113.5
447	F	89.6	Confident	91.6	Very high	19 Å²	19	68.9 Å²	68.9	8%	0.083	38%	0.375	C	S	.	.	S	Bend	trans	-153	165.1	-179.1	49	-103	0	0	0	110.3	F155 F158 R445 V449 V460 D462	F155-F447 HydrophobicContact CB-CE1 4.29Å; F155-F447 HydrophobicContact CD1-CE1 4.03Å; F155-F447 AromaticContact CD2-CE1 3.81Å; F155-F447 HydrophobicContact CD2-CE1 3.81Å; F155-F447 AromaticContact CD2-CZ 3.91Å; F155-F447 HydrophobicContact CD2-CZ 3.91Å; F155-F447 HydrophobicContact CE1-CE1 4.31Å; F155-F447 HydrophobicContact CE2-CE1 4.11Å; F155-F447 HydrophobicContact CE2-CZ 4.3Å; F155-F447 AromaticContact CG-CE1 3.79Å; F155-F447 HydrophobicContact CG-CE1 3.79Å; F155-F447 HydrophobicContact CG-CZ 4.25Å; F155-F447 HydrophobicContact CZ-CE1 4.35Å; F158-F447 AromaticContact CE1-CE2 3.88Å; F158-F447 HydrophobicContact CE1-CE2 3.88Å; F158-F447 AromaticContact CE1-CZ 3.63Å; F158-F447 HydrophobicContact CE1-CZ 3.63Å; F158-F447 HydrophobicContact CZ-CE2 4.02Å; F158-F447 HydrophobicContact CZ-CZ 4.17Å; R445-F447 WeakPolarHBondContact CB-O 3.48Å; R445-F447 PolarHBondContact O-N 3.32Å; R445-F447 VanDerWaalsContact O-N 3.12Å; F447-V449 HydrophobicContact CD2-CG1 3.96Å; F447-V449 HydrophobicContact CE2-CG1 4Å; F447-V460 HydrophobicContact CB-CG1 3.72Å; F447-V460 HydrophobicContact CD1-CG1 4.07Å; F447-V460 HydrophobicContact CD2-CG1 3.85Å; F447-V460 HydrophobicContact CG-CG1 3.59Å; F447-D462 HydrophobicContact CB-CB 4.01Å
448	S	90.8	Very high	91.8	Very high	75 Å²	75	62.9 Å²	62.9	52%	0.524	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	161.8	163	-58.3	0	0	0	0	110.4	L461	S448-L461 PolarHBondContact N-O 2.85Å; S448-L461 PolarHBondContact O-N 3.04Å
449	V	93.3	Very high	91.7	Very high	24 Å²	24	62.3 Å²	62.3	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.5	177.4	-65.8	0	0	0	0	110.8	F158 L345 L348 F447 V458 E459	F158-V449 HydrophobicContact CE2-CG1 4.43Å; F158-V449 HydrophobicContact CZ-CG1 4.3Å; L345-V449 HydrophobicContact CB-CG2 4.42Å; L345-V449 HydrophobicContact CD2-CG2 4.23Å; L345-V449 WeakPolarHBondContact O-CG2 3.27Å; L348-V449 HydrophobicContact CD1-CG2 4.42Å; F447-V449 HydrophobicContact CD2-CG1 3.96Å; F447-V449 HydrophobicContact CE2-CG1 4Å; V449-V458 HydrophobicContact CB-CG1 3.79Å; V449-V458 HydrophobicContact CG1-CG1 3.95Å; V449-E459 WeakPolarHBondContact CA-O 3.22Å
450	R	92.9	Very high	91.6	Very high	77 Å²	77	62.5 Å²	62.5	29%	0.291	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.3	172.3	175.3	-178.7	173.6	168.3	-2.8	109.1	V458 E459 L461 G470	R450-V458 CarbonylContact O-C 3.59Å; R450-V458 WeakPolarHBondContact O-CA 3.19Å; R450-E459 HydrophobicContact CB-CB 4.48Å; R450-E459 PolarHBondContact N-O 2.82Å; R450-E459 PolarHBondContact O-N 3.16Å; R450-L461 HydrophobicContact CB-CD1 4.12Å; R450-L461 HydrophobicContact CB-CG 4.5Å; R450-G470 VanDerWaalsContact NH1-C 3.29Å; R450-G470 VanDerWaalsContact NH1-CA 3.26Å; R450-G470 PolarHBondContact NH1-O 3.1Å
451	Y	95.3	Very high	91.5	Very high	32 Å²	32	62.9 Å²	62.9	13%	0.125	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.2	169.7	-177.9	-107.5	0	0	0	110.2	Y297 P453 V458	Y297-Y451 HydrophobicContact CD1-CD2 4.39Å; Y297-Y451 AromaticContact CD1-CE2 3.78Å; Y297-Y451 HydrophobicContact CD1-CE2 3.78Å; Y297-Y451 HydrophobicContact CE1-CE2 4.37Å; Y297-Y451 HydrophobicContact CG-CE2 4.43Å; Y451-P453 HydrophobicContact CD1-CB 4.35Å; Y451-P453 HydrophobicContact CE1-CB 3.9Å; Y451-V458 HydrophobicContact CD2-CG2 4.33Å
452	D	93.7	Very high	91.4	Very high	23 Å²	23	63 Å²	63	12%	0.123	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	110	168.6	173.9	22.6	0	0	0	109.8	Y454 T455 C456 S457	D452-Y454 VanDerWaalsContact C-N 3.26Å; D452-Y454 PolarHBondContact O-N 3.07Å; D452-Y454 WeakPolarHBondContact OD1-CB 3.48Å; D452-Y454 WeakPolarHBondContact OD1-CD2 3.47Å; D452-Y454 PolarHBondContact OD1-N 3.27Å; D452-T455 VanDerWaalsContact OD2-CB 3.29Å; D452-T455 WeakPolarHBondContact OD2-CB 3.48Å; D452-T455 WeakPolarHBondContact OD2-CG2 3.33Å; D452-T455 PolarHBondContact OD2-N 3.22Å; D452-T455 PolarHBondContact OD2-OG1 3.38Å; D452-C456 WeakPolarHBondContact O-CA 3.4Å; D452-C456 PolarHBondContact O-N 3.3Å; D452-S457 PolarHBondContact N-O 2.75Å; D452-S457 PolarHBondContact O-N 2.79Å
453	P	92.3	Very high	91.3	Very high	76 Å²	76	62.7 Å²	62.7	49%	0.494	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.3	179.5	30.9	-35.9	0	0	0	113.6	Y451	Y451-P453 HydrophobicContact CD1-CB 4.35Å; Y451-P453 HydrophobicContact CE1-CB 3.9Å
454	Y	91	Very high	91.4	Very high	200 Å²	200	66.9 Å²	66.9	78%	0.784	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-42.9	-179.7	-67.3	-78	0	0	0	111.8	D452	D452-Y454 VanDerWaalsContact C-N 3.26Å; D452-Y454 PolarHBondContact O-N 3.07Å; D452-Y454 WeakPolarHBondContact OD1-CB 3.48Å; D452-Y454 WeakPolarHBondContact OD1-CD2 3.47Å; D452-Y454 PolarHBondContact OD1-N 3.27Å
455	T	91.8	Very high	91.4	Very high	87 Å²	87	64 Å²	64	53%	0.534	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.2	178.5	63.2	0	0	0	0	113.5	D452 S457	D452-T455 VanDerWaalsContact OD2-CB 3.29Å; D452-T455 WeakPolarHBondContact OD2-CB 3.48Å; D452-T455 WeakPolarHBondContact OD2-CG2 3.33Å; D452-T455 PolarHBondContact OD2-N 3.22Å; D452-T455 PolarHBondContact OD2-OG1 3.38Å; T455-S457 PolarHBondContact O-N 2.8Å; T455-S457 WeakPolarHBondContact OG1-CB 3.09Å; T455-S457 PolarHBondContact OG1-OG 3.23Å
456	C	94.4	Very high	91.4	Very high	44 Å²	44	65.8 Å²	65.8	30%	0.297	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	45.2	-173.2	-61.7	0	0	0	0	111.8	I162 D452	I162-C456 HydrophobicContact CB-CB 4.08Å; I162-C456 HydrophobicContact CD1-CB 4.44Å; I162-C456 HydrophobicContact CG2-CB 3.61Å; I162-C456 PolarHBondContact N-O 3.16Å; D452-C456 WeakPolarHBondContact O-CA 3.4Å; D452-C456 PolarHBondContact O-N 3.3Å
457	S	95.1	Very high	91.6	Very high	22 Å²	22	64.8 Å²	64.8	15%	0.154	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.5	-173.7	79.3	0	0	0	0	112.5	K160 D452 T455	K160-S457 CarbonylContact O-C 3.56Å; K160-S457 WeakPolarHBondContact O-CA 3.43Å; K160-S457 WeakPolarHBondContact O-CB 3.4Å; D452-S457 PolarHBondContact N-O 2.75Å; D452-S457 PolarHBondContact O-N 2.79Å; T455-S457 PolarHBondContact O-N 2.8Å; T455-S457 WeakPolarHBondContact OG1-CB 3.09Å; T455-S457 PolarHBondContact OG1-OG 3.23Å
458	V	95.8	Very high	91.6	Very high	9 Å²	9	68.9 Å²	68.9	6%	0.055	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.7	173.9	171.1	0	0	0	0	109.6	F158 K160 Y297 L345 L348 V449 R450 Y451	F158-V458 HydrophobicContact CE2-CG1 4.09Å; K160-V458 PolarHBondContact O-N 3.47Å; Y297-V458 HydrophobicContact CE1-CG2 3.9Å; Y297-V458 HydrophobicContact CE2-CG2 4.18Å; Y297-V458 VanDerWaalsContact OH-CG2 3.24Å; Y297-V458 WeakPolarHBondContact OH-CG2 3.23Å; L345-V458 HydrophobicContact CD2-CG2 4.48Å; L348-V458 HydrophobicContact CD1-CB 4.27Å; L348-V458 HydrophobicContact CD1-CG1 3.84Å; L348-V458 HydrophobicContact CD1-CG2 3.67Å; V449-V458 HydrophobicContact CB-CG1 3.79Å; V449-V458 HydrophobicContact CG1-CG1 3.95Å; R450-V458 CarbonylContact O-C 3.59Å; R450-V458 WeakPolarHBondContact O-CA 3.19Å; Y451-V458 HydrophobicContact CD2-CG2 4.33Å
459	E	91.8	Very high	91.4	Very high	71 Å²	71	67.3 Å²	67.3	33%	0.332	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127	171.8	-62	-176.9	163	0	0	110.1	V449 R450 L461	V449-E459 WeakPolarHBondContact CA-O 3.22Å; R450-E459 HydrophobicContact CB-CB 4.48Å; R450-E459 PolarHBondContact N-O 2.82Å; R450-E459 PolarHBondContact O-N 3.16Å; E459-L461 HydrophobicContact CB-CD2 4.47Å
460	V	92.6	Very high	91	Very high	24 Å²	24	66.6 Å²	66.6	15%	0.145	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	111	174.3	-176.2	0	0	0	0	109	F158 F447 D462 K466	F158-V460 HydrophobicContact CE2-CG2 4.16Å; F158-V460 HydrophobicContact CZ-CG2 3.71Å; F447-V460 HydrophobicContact CB-CG1 3.72Å; F447-V460 HydrophobicContact CD1-CG1 4.07Å; F447-V460 HydrophobicContact CD2-CG1 3.85Å; F447-V460 HydrophobicContact CG-CG1 3.59Å; V460-D462 HydrophobicContact CG1-CB 4.18Å; V460-D462 PolarHBondContact O-N 3.43Å; V460-K466 WeakPolarHBondContact O-CD 3.45Å; V460-K466 PolarHBondContact O-NZ 3.34Å; V460-K466 VanDerWaalsContact O-NZ 3.09Å
461	L	90.7	Very high	90.8	Very high	35 Å²	35	68.2 Å²	68.2	18%	0.183	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	84.2	179.5	-53.5	-178.6	0	0	0	109.4	S448 R450 E459 K466 I467	S448-L461 PolarHBondContact N-O 2.85Å; S448-L461 PolarHBondContact O-N 3.04Å; R450-L461 HydrophobicContact CB-CD1 4.12Å; R450-L461 HydrophobicContact CB-CG 4.5Å; E459-L461 HydrophobicContact CB-CD2 4.47Å; L461-K466 HydrophobicContact CD2-CB 4.24Å; L461-I467 HydrophobicContact CB-CG1 4.14Å
462	D	87.6	Confident	90.5	Very high	87 Å²	87	71.8 Å²	71.8	47%	0.465	39%	0.386	S	S	.	.			trans	-114.5	-0.9	-175.7	57.6	12	0	0	0	113.5	F447 V460 K466	F447-D462 HydrophobicContact CB-CB 4.01Å; V460-D462 HydrophobicContact CG1-CB 4.18Å; V460-D462 PolarHBondContact O-N 3.43Å; D462-K466 WeakPolarHBondContact OD1-CD 3.43Å; D462-K466 WeakPolarHBondContact OD1-CE 3.37Å; D462-K466 IonicContact OD1-NZ 3.98Å; D462-K466 PolarHBondContact OD1-NZ 3.31Å; D462-K466 IonicContact OD2-NZ 3.17Å; D462-K466 PolarHBondContact OD2-NZ 3.07Å
463	N	89.8	Confident	90.1	Very high	51 Å²	51	72.2 Å²	72.2	27%	0.273	40%	0.395	S	S	.	.	S	Bend	trans	-154.7	159.5	178.9	72.6	79.4	0	0	0	112.6	L465 K466 I467	N463-L465 VanDerWaalsContact C-N 3.32Å; N463-L465 PolarHBondContact O-N 3.22Å; N463-L465 WeakPolarHBondContact OD1-CB 3.23Å; N463-L465 PolarHBondContact OD1-N 2.87Å; N463-K466 WeakPolarHBondContact ND2-CD 3.36Å; N463-K466 WeakPolarHBondContact ND2-CE 3.46Å; N463-K466 WeakPolarHBondContact ND2-CG 3.1Å; N463-K466 PolarHBondContact O-N 3.12Å; N463-K466 PolarHBondContact OD1-N 2.98Å; N463-I467 WeakPolarHBondContact O-CG1 3.45Å; N463-I467 PolarHBondContact O-N 3.38Å
464	P	90.8	Very high	90	Very high	104 Å²	104	71.1 Å²	71.1	68%	0.675	39%	0.387	S	S	*	.	H	α-helix	trans	-58.2	-34.4	-175.8	-27.7	36.2	0	0	0	115.5	I467 Q468	P464-I467 PolarHBondContact O-N 2.74Å; P464-Q468 WeakPolarHBondContact O-CB 3.45Å; P464-Q468 PolarHBondContact O-N 2.98Å
465	L	87.9	Confident	90.1	Very high	134 Å²	134	68.8 Å²	68.8	70%	0.702	38%	0.381	S	S	*	.	H	α-helix	trans	-67.4	-42	-178.2	-65.6	171.6	0	0	0	111.5	N463 I467 Q468 G469	N463-L465 VanDerWaalsContact C-N 3.32Å; N463-L465 PolarHBondContact O-N 3.22Å; N463-L465 WeakPolarHBondContact OD1-CB 3.23Å; N463-L465 PolarHBondContact OD1-N 2.87Å; L465-I467 VanDerWaalsContact C-N 3.34Å; L465-Q468 PolarHBondContact O-N 3.16Å; L465-G469 PolarHBondContact O-N 3.42Å
466	K	86.3	Confident	90.1	Very high	89 Å²	89	69.7 Å²	69.7	39%	0.387	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-38.7	175.6	-69.2	-176.2	-173.2	166.2	0	111.9	V460 L461 D462 N463 G469 G470	V460-K466 WeakPolarHBondContact O-CD 3.45Å; V460-K466 PolarHBondContact O-NZ 3.34Å; V460-K466 VanDerWaalsContact O-NZ 3.09Å; L461-K466 HydrophobicContact CD2-CB 4.24Å; D462-K466 WeakPolarHBondContact OD1-CD 3.43Å; D462-K466 WeakPolarHBondContact OD1-CE 3.37Å; D462-K466 IonicContact OD1-NZ 3.98Å; D462-K466 PolarHBondContact OD1-NZ 3.31Å; D462-K466 IonicContact OD2-NZ 3.17Å; D462-K466 PolarHBondContact OD2-NZ 3.07Å; N463-K466 WeakPolarHBondContact ND2-CD 3.36Å; N463-K466 WeakPolarHBondContact ND2-CE 3.46Å; N463-K466 WeakPolarHBondContact ND2-CG 3.1Å; N463-K466 PolarHBondContact O-N 3.12Å; N463-K466 PolarHBondContact OD1-N 2.98Å; K466-G469 PolarHBondContact O-N 3.16Å; K466-G470 PolarHBondContact O-N 3.46Å; K466-G470 VanDerWaalsContact O-N 3.13Å
467	I	91.3	Very high	90	Very high	78 Å²	78	72.8 Å²	72.8	40%	0.4	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-44.5	176	-63	166.5	0	0	0	110.2	L461 N463 P464 L465 G470 L471	L461-I467 HydrophobicContact CB-CG1 4.14Å; N463-I467 WeakPolarHBondContact O-CG1 3.45Å; N463-I467 PolarHBondContact O-N 3.38Å; P464-I467 PolarHBondContact O-N 2.74Å; L465-I467 VanDerWaalsContact C-N 3.34Å; I467-G470 PolarHBondContact O-N 3.05Å; I467-L471 HydrophobicContact CG2-CD1 4.19Å; I467-L471 WeakPolarHBondContact O-CG 3.44Å; I467-L471 PolarHBondContact O-N 2.97Å
468	Q	89.6	Confident	90	Very high	105 Å²	105	76.4 Å²	76.4	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-46.3	177.5	-176.5	179.3	-16.9	0	0	112	P464 L465 G470 L471 E472	P464-Q468 WeakPolarHBondContact O-CB 3.45Å; P464-Q468 PolarHBondContact O-N 2.98Å; L465-Q468 PolarHBondContact O-N 3.16Å; Q468-G470 VanDerWaalsContact C-N 3.26Å; Q468-G470 PolarHBondContact O-N 3.35Å; Q468-L471 PolarHBondContact O-N 3.08Å; Q468-E472 PolarHBondContact NE2-OE1 2.99Å; Q468-E472 PolarHBondContact O-N 2.72Å
469	G	85.1	Confident	90	Very high	42 Å²	42	82 Å²	82	43%	0.433	43%	0.433	S	S	.	.	H	α-helix	trans	-57.6	-40	175.7	0	0	0	0	0	112.5	L465 K466 E472	L465-G469 PolarHBondContact O-N 3.42Å; K466-G469 PolarHBondContact O-N 3.16Å; G469-E472 PolarHBondContact O-N 3.24Å
470	G	84.9	Confident	90.2	Very high	9 Å²	9	83.2 Å²	83.2	9%	0.093	45%	0.445	C	S	.	.	H	α-helix	trans	-64.1	-38.5	173.8	0	0	0	0	0	113.8	R450 K466 I467 Q468 V474	R450-G470 VanDerWaalsContact NH1-C 3.29Å; R450-G470 VanDerWaalsContact NH1-CA 3.26Å; R450-G470 PolarHBondContact NH1-O 3.1Å; K466-G470 PolarHBondContact O-N 3.46Å; K466-G470 VanDerWaalsContact O-N 3.13Å; I467-G470 PolarHBondContact O-N 3.05Å; Q468-G470 VanDerWaalsContact C-N 3.26Å; Q468-G470 PolarHBondContact O-N 3.35Å; G470-V474 PolarHBondContact O-N 3.39Å
471	L	89.9	Confident	90.4	Very high	111 Å²	111	88 Å²	88	58%	0.581	47%	0.469	S	S	*	.	H	α-helix	trans	-69.5	-33	178.9	-73.1	171.5	0	0	0	112.7	I467 Q468 G473 V474 K475	I467-L471 HydrophobicContact CG2-CD1 4.19Å; I467-L471 WeakPolarHBondContact O-CG 3.44Å; I467-L471 PolarHBondContact O-N 2.97Å; Q468-L471 PolarHBondContact O-N 3.08Å; L471-G473 PolarHBondContact O-N 2.87Å; L471-V474 PolarHBondContact O-N 3.2Å; L471-K475 PolarHBondContact O-N 3.38Å
472	E	88.9	Confident	90.7	Very high	107 Å²	107	90.1 Å²	90.1	50%	0.5	48%	0.483	S	S	.	.	H	α-helix	trans	-60.4	-44.4	176.8	-74.1	172.1	-172.8	0	0	111.3	Q468 G469 V474 K475 D476	Q468-E472 PolarHBondContact NE2-OE1 2.99Å; Q468-E472 PolarHBondContact O-N 2.72Å; G469-E472 PolarHBondContact O-N 3.24Å; E472-V474 PolarHBondContact O-N 3.48Å; E472-K475 WeakPolarHBondContact O-CB 3.34Å; E472-K475 PolarHBondContact O-N 2.97Å; E472-D476 PolarHBondContact O-N 2.93Å
473	G	84.4	Confident	91.1	Very high	31 Å²	31	90.1 Å²	90.1	32%	0.32	48%	0.484	S	S	.	.	H	α-helix	trans	-62.4	-39.8	175.6	0	0	0	0	0	113.7	L471 K475 D476 E477	L471-G473 PolarHBondContact O-N 2.87Å; G473-K475 VanDerWaalsContact C-N 3.31Å; G473-K475 PolarHBondContact O-N 3.17Å; G473-D476 PolarHBondContact O-N 2.95Å; G473-E477 PolarHBondContact O-N 3.11Å
474	V	89.8	Confident	91.5	Very high	53 Å²	53	90 Å²	90	32%	0.321	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-36.5	176.5	176.4	0	0	0	0	111.1	G470 L471 E472 D476 E477 I478	G470-V474 PolarHBondContact O-N 3.39Å; L471-V474 PolarHBondContact O-N 3.2Å; E472-V474 PolarHBondContact O-N 3.48Å; V474-D476 VanDerWaalsContact C-N 3.29Å; V474-D476 PolarHBondContact O-N 3.41Å; V474-E477 PolarHBondContact O-N 2.84Å; V474-I478 HydrophobicContact CG1-CD1 3.91Å; V474-I478 HydrophobicContact CG1-CG1 4.35Å; V474-I478 WeakPolarHBondContact O-CG1 3.48Å; V474-I478 PolarHBondContact O-N 3.28Å
475	K	93.1	Very high	91.7	Very high	152 Å²	152	90.8 Å²	90.8	66%	0.661	49%	0.487	S	S	*	.	H	α-helix	trans	-62.3	-38.9	176.8	-173.6	-177.3	176.9	-175.5	0	111.6	L471 E472 G473 I478 K479	L471-K475 PolarHBondContact O-N 3.38Å; E472-K475 WeakPolarHBondContact O-CB 3.34Å; E472-K475 PolarHBondContact O-N 2.97Å; G473-K475 VanDerWaalsContact C-N 3.31Å; G473-K475 PolarHBondContact O-N 3.17Å; K475-I478 PolarHBondContact O-N 2.75Å; K475-K479 WeakPolarHBondContact O-CB 3.34Å; K475-K479 PolarHBondContact O-N 2.85Å
476	D	91.6	Very high	92.1	Very high	105 Å²	105	87.3 Å²	87.3	56%	0.561	48%	0.478	S	S	*	.	H	α-helix	trans	-66.4	-41.9	176.2	-70.8	-22.6	0	0	0	111.7	E472 G473 V474 K479 V480	E472-D476 PolarHBondContact O-N 2.93Å; G473-D476 PolarHBondContact O-N 2.95Å; V474-D476 VanDerWaalsContact C-N 3.29Å; V474-D476 PolarHBondContact O-N 3.41Å; D476-K479 WeakPolarHBondContact O-CB 3.48Å; D476-K479 PolarHBondContact O-N 3.37Å; D476-V480 WeakPolarHBondContact O-CG2 3.33Å; D476-V480 PolarHBondContact O-N 3.21Å
477	E	92.6	Very high	92.6	Very high	110 Å²	110	89 Å²	89	51%	0.514	50%	0.495	S	S	.	.	H	α-helix	trans	-61.4	-46.3	174.1	-69.9	178.9	-169.9	0	0	112.1	G473 V474 K479 V480 L481	G473-E477 PolarHBondContact O-N 3.11Å; V474-E477 PolarHBondContact O-N 2.84Å; E477-K479 VanDerWaalsContact C-N 3.27Å; E477-K479 PolarHBondContact O-N 3.3Å; E477-V480 PolarHBondContact O-N 3.18Å; E477-L481 WeakPolarHBondContact O-CG 3.3Å; E477-L481 PolarHBondContact O-N 3.45Å; E477-L481 VanDerWaalsContact O-N 3.07Å
478	I	95.8	Very high	92.8	Very high	98 Å²	98	92.4 Å²	92.4	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-59.5	-41.2	175.9	-70.1	170.2	0	0	0	110.5	V474 K475 L481 T482	V474-I478 HydrophobicContact CG1-CD1 3.91Å; V474-I478 HydrophobicContact CG1-CG1 4.35Å; V474-I478 WeakPolarHBondContact O-CG1 3.48Å; V474-I478 PolarHBondContact O-N 3.28Å; K475-I478 PolarHBondContact O-N 2.75Å; I478-L481 PolarHBondContact O-N 2.75Å; I478-T482 WeakPolarHBondContact O-CB 3.46Å; I478-T482 PolarHBondContact O-N 3.3Å; I478-T482 PolarHBondContact O-OG1 3.13Å
479	K	95.9	Very high	92.5	Very high	125 Å²	125	94 Å²	94	54%	0.543	54%	0.537	S	S	.	.	H	α-helix	trans	-62.3	-46.7	177.9	-175.4	-179	175.7	-172.2	0	111.2	K475 D476 E477 L481 T482 D483	K475-K479 WeakPolarHBondContact O-CB 3.34Å; K475-K479 PolarHBondContact O-N 2.85Å; D476-K479 WeakPolarHBondContact O-CB 3.48Å; D476-K479 PolarHBondContact O-N 3.37Å; E477-K479 VanDerWaalsContact C-N 3.27Å; E477-K479 PolarHBondContact O-N 3.3Å; K479-L481 VanDerWaalsContact C-N 3.3Å; K479-L481 PolarHBondContact O-N 2.9Å; K479-T482 WeakPolarHBondContact O-CB 3.46Å; K479-T482 PolarHBondContact O-N 2.89Å; K479-T482 VanDerWaalsContact O-N 3.13Å; K479-D483 WeakPolarHBondContact O-CB 3.42Å; K479-D483 VanDerWaalsContact O-CG 3.3Å; K479-D483 PolarHBondContact O-N 2.96Å
480	V	96.3	Very high	92.9	Very high	97 Å²	97	96.6 Å²	96.6	59%	0.588	54%	0.542	S	S	*	.	H	α-helix	trans	-56.8	-44.3	176.5	170.3	0	0	0	0	111.4	D476 E477 D483 A484	D476-V480 WeakPolarHBondContact O-CG2 3.33Å; D476-V480 PolarHBondContact O-N 3.21Å; E477-V480 PolarHBondContact O-N 3.18Å; V480-D483 PolarHBondContact O-N 3.37Å; V480-A484 WeakPolarHBondContact O-CB 3.33Å; V480-A484 PolarHBondContact O-N 3Å
481	L	96.4	Very high	93.3	Very high	125 Å²	125	101.2 Å²	101.2	65%	0.654	57%	0.565	S	S	*	*	H	α-helix	trans	-67	-37.6	177.8	-66.2	175.6	0	0	0	112.4	E477 I478 K479 A484 L485	E477-L481 WeakPolarHBondContact O-CG 3.3Å; E477-L481 PolarHBondContact O-N 3.45Å; E477-L481 VanDerWaalsContact O-N 3.07Å; I478-L481 PolarHBondContact O-N 2.75Å; K479-L481 VanDerWaalsContact C-N 3.3Å; K479-L481 PolarHBondContact O-N 2.9Å; L481-A484 PolarHBondContact O-N 3.28Å; L481-L485 WeakPolarHBondContact O-CB 3.26Å; L481-L485 PolarHBondContact O-N 3.44Å
482	T	96.4	Very high	93.5	Very high	79 Å²	79	100.7 Å²	100.7	49%	0.485	57%	0.565	S	S	.	*	H	α-helix	trans	-66.2	-45.1	176.9	-55.5	0	0	0	0	110.9	I478 K479 L485 A486	I478-T482 WeakPolarHBondContact O-CB 3.46Å; I478-T482 PolarHBondContact O-N 3.3Å; I478-T482 PolarHBondContact O-OG1 3.13Å; K479-T482 WeakPolarHBondContact O-CB 3.46Å; K479-T482 PolarHBondContact O-N 2.89Å; K479-T482 VanDerWaalsContact O-N 3.13Å; T482-L485 PolarHBondContact O-N 3.48Å; T482-A486 WeakPolarHBondContact O-CB 3.41Å; T482-A486 PolarHBondContact O-N 2.78Å
483	D	96.9	Very high	93.8	Very high	88 Å²	88	100.3 Å²	100.3	47%	0.471	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-42.3	176.7	-68.8	-16.2	0	0	0	110.6	K479 V480 L485 A486 V487	K479-D483 WeakPolarHBondContact O-CB 3.42Å; K479-D483 VanDerWaalsContact O-CG 3.3Å; K479-D483 PolarHBondContact O-N 2.96Å; V480-D483 PolarHBondContact O-N 3.37Å; D483-L485 PolarHBondContact O-N 3.45Å; D483-A486 PolarHBondContact O-N 3.24Å; D483-V487 WeakPolarHBondContact O-CG2 3.44Å; D483-V487 PolarHBondContact O-N 3.32Å; D483-V487 VanDerWaalsContact O-N 3.14Å
484	A	96.9	Very high	94.4	Very high	49 Å²	49	104.6 Å²	104.6	41%	0.405	58%	0.584	S	S	.	*	H	α-helix	trans	-63.1	-40.1	175.4	0	0	0	0	0	112.5	V480 L481 V487 L488	V480-A484 WeakPolarHBondContact O-CB 3.33Å; V480-A484 PolarHBondContact O-N 3Å; L481-A484 PolarHBondContact O-N 3.28Å; A484-V487 PolarHBondContact O-N 2.84Å; A484-L488 PolarHBondContact O-N 3.4Å
485	L	96.8	Very high	94.7	Very high	119 Å²	119	108.1 Å²	108.1	62%	0.623	60%	0.601	S	S	*	*	H	α-helix	trans	-65	-41.6	175.6	-173.8	64.9	0	0	0	111.1	L481 T482 D483 V487 L488 S489	L481-L485 WeakPolarHBondContact O-CB 3.26Å; L481-L485 PolarHBondContact O-N 3.44Å; T482-L485 PolarHBondContact O-N 3.48Å; D483-L485 PolarHBondContact O-N 3.45Å; L485-V487 PolarHBondContact O-N 3.42Å; L485-L488 PolarHBondContact O-N 3.36Å; L485-S489 PolarHBondContact O-N 3.3Å; L485-S489 PolarHBondContact O-OG 3.47Å
486	A	96.3	Very high	94.8	Very high	61 Å²	61	104.9 Å²	104.9	50%	0.504	60%	0.597	S	S	.	*	H	α-helix	trans	-63.8	-27.2	178.2	0	0	0	0	0	113.5	T482 D483 S489	T482-A486 WeakPolarHBondContact O-CB 3.41Å; T482-A486 PolarHBondContact O-N 2.78Å; D483-A486 PolarHBondContact O-N 3.24Å; A486-S489 WeakPolarHBondContact CA-OG 3.33Å; A486-S489 PolarHBondContact O-OG 3.42Å
487	V	96.6	Very high	95	Very high	124 Å²	124	104.9 Å²	104.9	75%	0.752	60%	0.6	S	S	*	*	H	α-helix	trans	-72.9	-29.1	173.3	171.3	0	0	0	0	112	D483 A484 L485	D483-V487 WeakPolarHBondContact O-CG2 3.44Å; D483-V487 PolarHBondContact O-N 3.32Å; D483-V487 VanDerWaalsContact O-N 3.14Å; A484-V487 PolarHBondContact O-N 2.84Å; L485-V487 PolarHBondContact O-N 3.42Å
488	L	94.4	Very high	95.2	Very high	150 Å²	150	104.5 Å²	104.5	79%	0.785	61%	0.607	S	S	*	*	H	α-helix	trans	-93.9	-21.5	-176.9	-63.7	176.1	0	0	0	113.6	A484 L485	A484-L488 PolarHBondContact O-N 3.4Å; L485-L488 PolarHBondContact O-N 3.36Å
489	S	84.1	Confident	95.2	Very high	139 Å²	139	105.1 Å²	105.1	97%	0.972	62%	0.617	S	S	*	*			trans	-84.1	0	174.4	64.7	0	0	0	0	111.8	L485 A486	L485-S489 PolarHBondContact O-N 3.3Å; L485-S489 PolarHBondContact O-OG 3.47Å; A486-S489 WeakPolarHBondContact CA-OG 3.33Å; A486-S489 PolarHBondContact O-OG 3.42Å

Retrieved 489 of 489 residues in 3666.3 ms (Link to these results)

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