A0A077ZCR4_TRITR Loading...

Ecdysone receptor

AlphaFold DB , UniProt , Accession A0A077ZCR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 754 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	32.3	Very low	31.2	Very low	244 Å²	244	154.1 Å²	154.1	100%	1.202	80%	0.799	S	S	*	*				0	116.6	0	-82.3	-179.7	172.6	0	0	107.9
2	R	28.6	Very low	31.6	Very low	230 Å²	230	151.2 Å²	151.2	87%	0.868	80%	0.797	S	S	*	*			trans	44.9	128.3	156.9	-67.1	-178.4	168.9	156	-4.2	118.3
3	N	32	Very low	31.4	Very low	117 Å²	117	152.8 Å²	152.8	63%	0.626	80%	0.797	S	S	*	*			cis	-179.4	150.7	14.9	-112	-6	0	0	0	110.3
4	N	33.3	Very low	31.4	Very low	136 Å²	136	159.4 Å²	159.4	73%	0.727	81%	0.806	S	S	*	*			trans	72	110.1	147.7	-53.8	-20.8	0	0	0	118.2
5	L	30.7	Very low	31.1	Very low	138 Å²	138	159.1 Å²	159.1	72%	0.723	81%	0.807	S	S	*	*			cis	70.2	103.2	35.4	-147.8	133.7	0	0	0	114.1	L7	L5-L7 HydrophobicContact CD2-CD1 3.93Å; L5-L7 HydrophobicContact CD2-CG 4.27Å
6	I	34.3	Very low	31.2	Very low	175 Å²	175	157.3 Å²	157.3	90%	0.897	81%	0.806	S	S	*	*			trans	-138.6	123.1	141	-63.5	-171.2	0	0	0	108.8
7	L	28.9	Very low	31	Very low	140 Å²	140	161.8 Å²	161.8	73%	0.733	81%	0.811	S	S	*	*			trans	-90.5	167.1	-177.7	-88	159.6	0	0	0	112.5	L5	L5-L7 HydrophobicContact CD2-CD1 3.93Å; L5-L7 HydrophobicContact CD2-CG 4.27Å
8	A	29.8	Very low	31.1	Very low	84 Å²	84	161.5 Å²	161.5	69%	0.694	81%	0.812	S	S	*	*			trans	99.1	117	138.8	0	0	0	0	0	117.2
9	K	32.5	Very low	30.9	Very low	172 Å²	172	162.3 Å²	162.3	75%	0.748	81%	0.813	S	S	*	*				-173.1	130.4	93	-106.8	169.4	169.7	-177.1	0	114.9
10	F	32.6	Very low	31	Very low	186 Å²	186	159 Å²	159	82%	0.816	80%	0.803	S	S	*	*			trans	87.5	120.8	152.9	-58.4	-63	0	0	0	121.5
11	G	28.8	Very low	31	Very low	73 Å²	73	159.4 Å²	159.4	75%	0.753	80%	0.8	S	S	*	*			trans	-100.1	-156.2	-178.3	0	0	0	0	0	115
12	P	35.7	Very low	30.8	Very low	119 Å²	119	156.1 Å²	156.1	77%	0.773	78%	0.781	S	S	*	*			trans	-109.4	179.4	-141.2	39.3	-31.3	0	0	0	116.3
13	H	28.8	Very low	30.8	Very low	172 Å²	172	154 Å²	154	80%	0.796	79%	0.786	S	S	*	*			trans	90.5	114.7	172.7	-73.7	-86.1	0	0	0	118.6
14	R	30.9	Very low	30.5	Very low	246 Å²	246	152.1 Å²	152.1	93%	0.928	79%	0.787	S	S	*	*				-175.3	136.2	105.2	-96.7	174.3	-166.6	-143.4	3.1	112.4
15	N	27.9	Very low	30.2	Very low	155 Å²	155	152.7 Å²	152.7	83%	0.829	79%	0.79	S	S	*	*			trans	-55.4	132.3	172	-73	-45.1	0	0	0	112.5
16	V	32.3	Very low	30	Very low	130 Å²	130	151.8 Å²	151.8	79%	0.788	79%	0.786	S	S	*	*			trans	-136.3	113.6	146.4	-178.2	0	0	0	0	107.2
17	R	27.9	Very low	29.7	Very low	234 Å²	234	148.8 Å²	148.8	88%	0.883	78%	0.778	S	S	*	*			trans	-76.1	125.4	168.1	-75.2	173.9	171.7	177.8	-4.4	107.3
18	D	32.2	Very low	29.7	Very low	156 Å²	156	149.2 Å²	149.2	83%	0.834	77%	0.774	S	S	*	*			trans	-149.7	99.7	149.3	-84.1	-39.4	0	0	0	107.1
19	E	27.3	Very low	29.7	Very low	177 Å²	177	150.3 Å²	150.3	83%	0.827	78%	0.775	S	S	*	*			trans	-80.5	159.4	158.2	-115.6	-154.1	133	0	0	107.4
20	P	32.9	Very low	29.5	Very low	95 Å²	95	154.2 Å²	154.2	62%	0.617	79%	0.785	S	S	*	*			cis	-155.4	178	48.8	44.9	-24	0	0	0	117.1
21	K	31.3	Very low	29.2	Very low	169 Å²	169	153.5 Å²	153.5	74%	0.735	78%	0.777	S	S	*	*			trans	91.4	107.3	151.1	-64.3	165.8	-170.7	-179.7	0	119.2
22	Q	27.5	Very low	29.1	Very low	174 Å²	174	152.4 Å²	152.4	81%	0.813	76%	0.758	S	S	*	*			trans	67.6	90.8	130.8	-65.2	178.2	-34.3	0	0	118.3
23	L	28.4	Very low	28.7	Very low	186 Å²	186	150.7 Å²	150.7	97%	0.974	76%	0.762	S	S	*	*			trans	-149.4	75.5	132.7	-133.9	89.2	0	0	0	108.9
24	A	26.3	Very low	28.7	Very low	78 Å²	78	147 Å²	147	65%	0.645	74%	0.741	S	S	*	*			trans	-81.1	149.6	158.3	0	0	0	0	0	108.4
25	D	27.1	Very low	28.6	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	73%	0.731	S	S	*	*			trans	72.5	98.1	162.9	-51.9	-34	0	0	0	118.5
26	D	27.1	Very low	28.6	Very low	120 Å²	120	140.5 Å²	140.5	64%	0.642	72%	0.724	S	S	*	*				-152	93.2	116.9	-149	7.7	0	0	0	115	K28	D26-K28 PolarHBondContact O-N 3.47Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 WeakPolarHBondContact OD1-CB 3.26Å; D26-K28 WeakPolarHBondContact OD1-CD 3.48Å; D26-K28 WeakPolarHBondContact OD1-CG 3.45Å
27	P	27.5	Very low	28.4	Very low	112 Å²	112	142.3 Å²	142.3	73%	0.727	72%	0.721	S	S	*	*			trans	-82.4	43.6	167.9	30	-23.8	0	0	0	112.6
28	K	29.6	Very low	28.4	Very low	149 Å²	149	133.9 Å²	133.9	65%	0.648	69%	0.693	S	S	*	*			trans	-115	-2.2	-172.8	-71.6	-178.8	-171.6	164	0	118.1	D26 W30	D26-K28 PolarHBondContact O-N 3.47Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 WeakPolarHBondContact OD1-CB 3.26Å; D26-K28 WeakPolarHBondContact OD1-CD 3.48Å; D26-K28 WeakPolarHBondContact OD1-CG 3.45Å; K28-W30 PolarHBondContact O-N 3Å
29	C	29.1	Very low	28.2	Very low	106 Å²	106	134.4 Å²	134.4	72%	0.716	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-6.4	-179.8	-132.2	0	0	0	0	115.3
30	W	27.4	Very low	28.3	Very low	254 Å²	254	128.6 Å²	128.6	96%	0.962	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	16	174.2	-81	78.2	0	0	0	114	K28	K28-W30 PolarHBondContact O-N 3Å
31	R	26.6	Very low	28.3	Very low	171 Å²	171	128 Å²	128	65%	0.645	66%	0.659	S	S	*	*			trans	-120	71.5	174.4	-70	-172.4	-170.7	-144.3	4.9	111.6
32	S	27.2	Very low	28.3	Very low	51 Å²	51	125.6 Å²	125.6	36%	0.357	65%	0.648	S	S	.	*			trans	-152	119.6	149.5	63.4	0	0	0	0	108.1	R34	S32-R34 PolarHBondContact O-N 3.22Å; S32-R34 PolarHBondContact OG-NE 3.07Å; S32-R34 PolarHBondContact OG-NH2 3.23Å; S32-R34 VanDerWaalsContact OG-NH2 3.08Å
33	G	27.9	Very low	28.6	Very low	82 Å²	82	122 Å²	122	85%	0.845	63%	0.628	S	S	*	*			trans	-65.6	62.4	-179.6	0	0	0	0	0	113.6
34	R	28.5	Very low	28.7	Very low	96 Å²	96	120.7 Å²	120.7	36%	0.362	62%	0.62	S	S	.	*			trans	-108.2	-4.8	-173.6	-76.5	-169.1	-84.2	-160	-5	114.5	S32	S32-R34 PolarHBondContact O-N 3.22Å; S32-R34 PolarHBondContact OG-NE 3.07Å; S32-R34 PolarHBondContact OG-NH2 3.23Å; S32-R34 VanDerWaalsContact OG-NH2 3.08Å
35	Y	27.9	Very low	28.7	Very low	180 Å²	180	122.8 Å²	122.8	71%	0.706	62%	0.62	S	S	*	*	S	Bend	trans	-106.8	-18	-179.7	-72.2	-83.5	0	0	0	114.6	K37	Y35-K37 PolarHBondContact O-N 3.47Å
36	A	28.1	Very low	28.8	Very low	83 Å²	83	120.6 Å²	120.6	69%	0.686	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-18.6	-179.9	0	0	0	0	0	114.1
37	K	29.1	Very low	29	Very low	169 Å²	169	122.7 Å²	122.7	74%	0.735	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-25.4	-177	-159.6	171.8	-178.8	-178.9	0	113.6	Y35	Y35-K37 PolarHBondContact O-N 3.47Å
38	L	27.3	Very low	29.2	Very low	57 Å²	57	122.4 Å²	122.4	30%	0.298	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-17.4	178.6	-77.8	159	0	0	0	113.5	M69	L38-M69 HydrophobicContact CB-CE 4.17Å; L38-M69 HydrophobicContact CD1-CE 3.94Å; L38-M69 HydrophobicContact CD1-SD 3.85Å; L38-M69 HydrophobicContact CD2-CE 3.67Å; L38-M69 HydrophobicContact CD2-SD 4.4Å; L38-M69 HydrophobicContact CG-CE 4.13Å
39	Y	28.8	Very low	29.5	Very low	166 Å²	166	120.5 Å²	120.5	65%	0.651	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-21.8	172.8	-113.4	-98.2	0	0	0	113
40	A	28.4	Very low	29.6	Very low	55 Å²	55	123 Å²	123	46%	0.455	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	-31.2	179.7	0	0	0	0	0	112.9	R43	A40-R43 WeakPolarHBondContact O-CB 3.43Å
41	D	32.3	Very low	30.1	Very low	84 Å²	84	116.7 Å²	116.7	45%	0.449	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-20.2	-173.4	-68	-20.1	0	0	0	114	R43	D41-R43 VanDerWaalsContact C-N 3.32Å
42	F	31.5	Very low	30.6	Very low	117 Å²	117	111.4 Å²	111.4	51%	0.513	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	7.8	179	-100.1	-81.8	0	0	0	113.9	K460	F42-K460 HydrophobicContact CD2-CD 4.08Å; F42-K460 HydrophobicContact CE1-CB 3.82Å; F42-K460 HydrophobicContact CE1-CD 4.17Å; F42-K460 HydrophobicContact CE1-CG 3.91Å; F42-K460 HydrophobicContact CE2-CD 3.53Å; F42-K460 VanDerWaalsContact CE2-CE 3.48Å; F42-K460 HydrophobicContact CE2-CG 3.82Å; F42-K460 HydrophobicContact CZ-CB 3.83Å; F42-K460 HydrophobicContact CZ-CD 3.61Å; F42-K460 HydrophobicContact CZ-CG 3.36Å
43	R	33.8	Very low	31	Very low	100 Å²	100	114 Å²	114	38%	0.377	61%	0.613	S	S	.	*			trans	-87.4	120.7	-172.7	-145.7	-177.9	-157.8	158	16.3	111.6	A40 D41 L46 E47	A40-R43 WeakPolarHBondContact O-CB 3.43Å; D41-R43 VanDerWaalsContact C-N 3.32Å; R43-L46 PolarHBondContact NE-O 3.33Å; R43-L46 PolarHBondContact NH2-O 3.43Å; R43-E47 VanDerWaalsContact NH2-CA 3.28Å; R43-E47 PolarHBondContact NH2-O 2.96Å; R43-E47 VanDerWaalsContact NH2-O 3.1Å
44	I	31.1	Very low	31.3	Very low	157 Å²	157	112.7 Å²	112.7	81%	0.805	59%	0.586	S	S	*	*	S	Bend	trans	-89.2	118.9	143.2	-64.4	173.2	0	0	0	104.5	L46	I44-L46 PolarHBondContact O-N 3.39Å
45	D	26.8	Very low	31.8	Very low	122 Å²	122	112.4 Å²	112.4	65%	0.652	60%	0.599	S	S	*	*	S	Bend	trans	-12.1	95.6	178.2	-54.8	-43.5	0	0	0	119
46	L	29.3	Very low	32.4	Very low	102 Å²	102	111.2 Å²	111.2	53%	0.534	60%	0.599	S	S	.	*			trans	-162.4	126.7	154.7	-77.5	-174.3	0	0	0	110.8	R43 I44 F596	R43-L46 PolarHBondContact NE-O 3.33Å; R43-L46 PolarHBondContact NH2-O 3.43Å; I44-L46 PolarHBondContact O-N 3.39Å; L46-F596 HydrophobicContact CD1-CE2 4.42Å; L46-F596 HydrophobicContact CD1-CZ 4.45Å
47	E	30.9	Very low	32.9	Very low	164 Å²	164	109.9 Å²	109.9	77%	0.766	58%	0.58	S	S	*	*			trans	-42.7	156.7	-175.8	-83.9	-179.9	135.6	0	0	118.7	R43	R43-E47 VanDerWaalsContact NH2-CA 3.28Å; R43-E47 PolarHBondContact NH2-O 2.96Å; R43-E47 VanDerWaalsContact NH2-O 3.1Å
48	P	30.8	Very low	33.3	Very low	106 Å²	106	106.8 Å²	106.8	69%	0.688	57%	0.568	S	S	*	*			trans	-91.7	136.3	-167.4	32.7	-28.6	0	0	0	112.4
49	P	35.9	Very low	34	Very low	109 Å²	109	106.2 Å²	106.2	71%	0.708	57%	0.568	S	S	*	*			trans	-119.7	137.5	162.9	32.8	-18.5	0	0	0	114.2
50	L	32.7	Very low	34.6	Very low	158 Å²	158	98.9 Å²	98.9	83%	0.827	54%	0.541	S	S	*	.			trans	25.4	142.6	150.4	-57	173.5	0	0	0	121.9
51	P	36.3	Very low	35.1	Very low	122 Å²	122	100.4 Å²	100.4	79%	0.792	54%	0.535	S	S	*	.			trans	-73.1	128.3	-179.6	31.1	-32.6	0	0	0	111.6
52	V	37.5	Very low	35.5	Very low	60 Å²	60	99.1 Å²	99.1	36%	0.364	53%	0.532	S	S	.	.			trans	-103.5	123.4	177.2	-177.6	0	0	0	0	109.5	S606	V52-S606 WeakPolarHBondContact CG1-OG 3.39Å
53	T	35.1	Very low	36.4	Very low	106 Å²	106	100.1 Å²	100.1	65%	0.65	53%	0.533	S	S	*	.			trans	-103	94.2	175.3	45.5	0	0	0	0	109.6
54	D	36.3	Very low	36.8	Very low	53 Å²	53	97.2 Å²	97.2	28%	0.283	52%	0.523	S	S	.	.			trans	-146.6	129.2	168.1	-156.9	-13.7	0	0	0	112.1	H56 S606	D54-H56 VanDerWaalsContact C-N 3.35Å; D54-H56 PolarHBondContact O-N 3.23Å; D54-S606 WeakPolarHBondContact CB-OG 3.27Å; D54-S606 PolarHBondContact OD2-OG 3.39Å
55	S	38.9	Very low	37.3	Very low	90 Å²	90	92.6 Å²	92.6	63%	0.629	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.5	-155	52	0	0	0	0	115.4	P59	S55-P59 WeakPolarHBondContact O-CG 3.46Å
56	H	40.1	Very low	37.8	Very low	156 Å²	156	87.5 Å²	87.5	72%	0.722	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-18.9	-171.2	-78.3	-78.7	0	0	0	115.7	D54	D54-H56 VanDerWaalsContact C-N 3.35Å; D54-H56 PolarHBondContact O-N 3.23Å
57	L	38.5	Very low	38.6	Very low	54 Å²	54	87 Å²	87	28%	0.283	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-27.4	-177.5	-76.6	161.3	0	0	0	115.2	V60 W61 F423 H602	L57-V60 PolarHBondContact O-N 3.27Å; L57-V60 VanDerWaalsContact O-N 3.1Å; L57-W61 PolarHBondContact O-N 3.43Å; L57-F423 HydrophobicContact CD2-CD1 4.31Å; L57-F423 HydrophobicContact CD2-CE1 3.72Å; L57-H602 WeakPolarHBondContact CD1-CE1 3.35Å; L57-H602 WeakPolarHBondContact CD1-ND1 3.48Å
58	E	36.1	Very low	39	Very low	104 Å²	104	79.9 Å²	79.9	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-47.2	-43.1	162.7	-111	-75.3	155.9	0	0	112	V60 S62	E58-V60 PolarHBondContact O-N 3.23Å; E58-S62 WeakPolarHBondContact O-CA 3.45Å; E58-S62 WeakPolarHBondContact O-CB 3.36Å; E58-S62 PolarHBondContact O-N 2.7Å; E58-S62 PolarHBondContact O-OG 2.94Å; E58-S62 PolarHBondContact OE2-OG 3.22Å
59	P	42.3	Very low	39.4	Very low	45 Å²	45	76.3 Å²	76.3	29%	0.292	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-37.4	178.7	-20.5	32	0	0	0	113.2	S55 R63	S55-P59 WeakPolarHBondContact O-CG 3.46Å; P59-R63 WeakPolarHBondContact O-CA 3.15Å; P59-R63 WeakPolarHBondContact O-CB 3.34Å; P59-R63 WeakPolarHBondContact O-CD 3.4Å; P59-R63 WeakPolarHBondContact O-CG 3.28Å; P59-R63 PolarHBondContact O-N 2.88Å
60	V	41.4	Very low	39.9	Very low	13 Å²	13	79.4 Å²	79.4	8%	0.079	41%	0.409	C	S	.	.	H	α-helix	trans	-74.8	-45.9	-175.2	-179.2	0	0	0	0	110.5	L57 E58 R63 F64 A427 I431	L57-V60 PolarHBondContact O-N 3.27Å; L57-V60 VanDerWaalsContact O-N 3.1Å; E58-V60 PolarHBondContact O-N 3.23Å; V60-R63 PolarHBondContact O-N 2.93Å; V60-F64 WeakPolarHBondContact O-CB 3.4Å; V60-F64 PolarHBondContact O-N 3.22Å; V60-A427 HydrophobicContact CG1-CB 4.37Å; V60-I431 HydrophobicContact CG1-CD1 3.98Å
61	W	39.6	Very low	40.2	Very low	87 Å²	87	74.3 Å²	74.3	33%	0.33	39%	0.387	S	S	.	.	H	α-helix	trans	-72.4	-40	177.3	-87.9	107.7	0	0	0	112.9	L57 R63 F64 V65 L595	L57-W61 PolarHBondContact O-N 3.43Å; W61-R63 VanDerWaalsContact C-N 3.33Å; W61-F64 HydrophobicContact CE3-CB 4.38Å; W61-F64 AromaticContact CE3-CD1 3.57Å; W61-F64 HydrophobicContact CE3-CD1 3.57Å; W61-F64 HydrophobicContact CE3-CE1 4.24Å; W61-F64 HydrophobicContact CE3-CG 4.27Å; W61-F64 AromaticContact CZ3-CD1 3.42Å; W61-F64 HydrophobicContact CZ3-CD1 3.42Å; W61-F64 VanDerWaalsContact CZ3-CD1 3.42Å; W61-F64 AromaticContact CZ3-CE1 3.6Å; W61-F64 HydrophobicContact CZ3-CE1 3.6Å; W61-F64 HydrophobicContact CZ3-CG 4.3Å; W61-F64 WeakPolarHBondContact O-CB 3.47Å; W61-F64 PolarHBondContact O-N 3.48Å; W61-V65 WeakPolarHBondContact O-CG2 3.33Å; W61-V65 PolarHBondContact O-N 3.13Å; W61-L595 HydrophobicContact CH2-CD2 3.94Å; W61-L595 HydrophobicContact CZ2-CD2 3.75Å
62	S	40.8	Very low	40.3	Very low	57 Å²	57	69.5 Å²	69.5	40%	0.399	35%	0.354	S	S	.	.	H	α-helix	trans	-68.6	-31.5	172.6	-70.5	0	0	0	0	111.8	E58 G66	E58-S62 WeakPolarHBondContact O-CA 3.45Å; E58-S62 WeakPolarHBondContact O-CB 3.36Å; E58-S62 PolarHBondContact O-N 2.7Å; E58-S62 PolarHBondContact O-OG 2.94Å; E58-S62 PolarHBondContact OE2-OG 3.22Å; S62-G66 WeakPolarHBondContact O-CA 3.32Å; S62-G66 PolarHBondContact O-N 2.85Å
63	R	49.7	Very low	40	Very low	138 Å²	138	69.4 Å²	69.4	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-68.2	-42.2	168	-79.4	167.7	-172.4	179.1	2.2	111.3	P59 V60 W61 G66 R67	P59-R63 WeakPolarHBondContact O-CA 3.15Å; P59-R63 WeakPolarHBondContact O-CB 3.34Å; P59-R63 WeakPolarHBondContact O-CD 3.4Å; P59-R63 WeakPolarHBondContact O-CG 3.28Å; P59-R63 PolarHBondContact O-N 2.88Å; V60-R63 PolarHBondContact O-N 2.93Å; W61-R63 VanDerWaalsContact C-N 3.33Å; R63-G66 PolarHBondContact O-N 2.81Å; R63-R67 WeakPolarHBondContact O-CA 3.32Å; R63-R67 WeakPolarHBondContact O-CB 3.43Å; R63-R67 PolarHBondContact O-N 3.15Å
64	F	42.1	Very low	40.2	Very low	39 Å²	39	69 Å²	69	17%	0.171	35%	0.352	C	S	.	.	H	α-helix	trans	-56.5	-59.6	176	172.6	-110.3	0	0	0	110.2	V60 W61 G66 R67 V68 I431 V434	V60-F64 WeakPolarHBondContact O-CB 3.4Å; V60-F64 PolarHBondContact O-N 3.22Å; W61-F64 HydrophobicContact CE3-CB 4.38Å; W61-F64 AromaticContact CE3-CD1 3.57Å; W61-F64 HydrophobicContact CE3-CD1 3.57Å; W61-F64 HydrophobicContact CE3-CE1 4.24Å; W61-F64 HydrophobicContact CE3-CG 4.27Å; W61-F64 AromaticContact CZ3-CD1 3.42Å; W61-F64 HydrophobicContact CZ3-CD1 3.42Å; W61-F64 VanDerWaalsContact CZ3-CD1 3.42Å; W61-F64 AromaticContact CZ3-CE1 3.6Å; W61-F64 HydrophobicContact CZ3-CE1 3.6Å; W61-F64 HydrophobicContact CZ3-CG 4.3Å; W61-F64 WeakPolarHBondContact O-CB 3.47Å; W61-F64 PolarHBondContact O-N 3.48Å; F64-G66 PolarHBondContact O-N 3.12Å; F64-R67 PolarHBondContact O-N 3.17Å; F64-V68 HydrophobicContact CD2-CG2 4.02Å; F64-V68 HydrophobicContact CE2-CG2 3.93Å; F64-V68 HydrophobicContact CZ-CG2 4.31Å; F64-V68 WeakPolarHBondContact O-CB 3.34Å; F64-V68 WeakPolarHBondContact O-CG2 3.31Å; F64-V68 PolarHBondContact O-N 2.99Å; F64-I431 HydrophobicContact CB-CD1 3.68Å; F64-I431 HydrophobicContact CB-CG1 3.94Å; F64-I431 HydrophobicContact CD2-CB 3.87Å; F64-I431 HydrophobicContact CD2-CD1 4.2Å; F64-I431 HydrophobicContact CD2-CG1 3.5Å; F64-I431 VanDerWaalsContact CD2-CG1 3.5Å; F64-I431 HydrophobicContact CD2-CG2 3.89Å; F64-I431 HydrophobicContact CE2-CG1 4.37Å; F64-I431 HydrophobicContact CG-CD1 4.41Å; F64-I431 HydrophobicContact CG-CG1 4.11Å; F64-V434 HydrophobicContact CE2-CB 3.88Å; F64-V434 HydrophobicContact CE2-CG1 3.93Å; F64-V434 HydrophobicContact CE2-CG2 4.07Å; F64-V434 HydrophobicContact CZ-CB 4.29Å; F64-V434 HydrophobicContact CZ-CG1 3.97Å; F64-V434 HydrophobicContact CZ-CG2 4.23Å
65	V	41.5	Very low	39.9	Very low	60 Å²	60	71.4 Å²	71.4	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-45.4	-179.6	177.3	0	0	0	0	110.5	W61 M69	W61-V65 WeakPolarHBondContact O-CG2 3.33Å; W61-V65 PolarHBondContact O-N 3.13Å; V65-M69 HydrophobicContact CG1-CE 3.64Å; V65-M69 HydrophobicContact CG1-CG 4.39Å; V65-M69 HydrophobicContact CG1-SD 3.9Å; V65-M69 WeakPolarHBondContact O-CB 3.43Å; V65-M69 VanDerWaalsContact O-CG 3.25Å; V65-M69 WeakPolarHBondContact O-CG 3.46Å; V65-M69 PolarHBondContact O-N 3.35Å
66	G	38.9	Very low	39.4	Very low	15 Å²	15	72 Å²	72	16%	0.155	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-38.1	-179.8	0	0	0	0	0	114	S62 R63 F64 R70	S62-G66 WeakPolarHBondContact O-CA 3.32Å; S62-G66 PolarHBondContact O-N 2.85Å; R63-G66 PolarHBondContact O-N 2.81Å; F64-G66 PolarHBondContact O-N 3.12Å; G66-R70 WeakPolarHBondContact O-CB 3.39Å; G66-R70 WeakPolarHBondContact O-CG 3.36Å; G66-R70 PolarHBondContact O-N 2.77Å; G66-R70 PolarHBondContact O-NE 3.06Å
67	R	46.2	Very low	38.9	Very low	92 Å²	92	68.8 Å²	68.8	35%	0.347	35%	0.35	S	S	.	.	H	α-helix	trans	-72.8	-43.4	178.5	-161.2	-170.3	-82.2	171.4	-4	110	R63 F64 M69 R70 S71 Q435	R63-R67 WeakPolarHBondContact O-CA 3.32Å; R63-R67 WeakPolarHBondContact O-CB 3.43Å; R63-R67 PolarHBondContact O-N 3.15Å; F64-R67 PolarHBondContact O-N 3.17Å; R67-M69 PolarHBondContact O-N 2.89Å; R67-R70 PolarHBondContact O-N 3.18Å; R67-S71 WeakPolarHBondContact O-CB 3.4Å; R67-S71 PolarHBondContact O-N 3.16Å; R67-S71 PolarHBondContact O-OG 3.26Å; R67-Q435 VanDerWaalsContact CD-OE1 3.3Å; R67-Q435 VanDerWaalsContact CG-NE2 3.26Å
68	V	38.1	Very low	38.5	Very low	14 Å²	14	73.9 Å²	73.9	9%	0.085	37%	0.372	C	S	.	.	H	α-helix	trans	-59.7	-43.7	173.7	168.2	0	0	0	0	111.9	F64 S71 N72 V434 Q435 Y438	F64-V68 HydrophobicContact CD2-CG2 4.02Å; F64-V68 HydrophobicContact CE2-CG2 3.93Å; F64-V68 HydrophobicContact CZ-CG2 4.31Å; F64-V68 WeakPolarHBondContact O-CB 3.34Å; F64-V68 WeakPolarHBondContact O-CG2 3.31Å; F64-V68 PolarHBondContact O-N 2.99Å; V68-S71 PolarHBondContact O-OG 3.11Å; V68-N72 WeakPolarHBondContact O-CB 3.32Å; V68-N72 PolarHBondContact O-N 3.32Å; V68-N72 PolarHBondContact O-ND2 2.89Å; V68-V434 HydrophobicContact CG2-CG1 4.36Å; V68-Q435 HydrophobicContact CG2-CG 4.4Å; V68-Y438 HydrophobicContact CG1-CD2 3.9Å; V68-Y438 HydrophobicContact CG1-CE2 3.35Å
69	M	40.4	Very low	38.4	Very low	31 Å²	31	77.1 Å²	77.1	15%	0.153	38%	0.38	C	S	.	.	H	α-helix	trans	-71.6	-38.2	178.9	-73.3	-175	179	0	0	113.1	L38 V65 R67 G73 W74	L38-M69 HydrophobicContact CB-CE 4.17Å; L38-M69 HydrophobicContact CD1-CE 3.94Å; L38-M69 HydrophobicContact CD1-SD 3.85Å; L38-M69 HydrophobicContact CD2-CE 3.67Å; L38-M69 HydrophobicContact CD2-SD 4.4Å; L38-M69 HydrophobicContact CG-CE 4.13Å; V65-M69 HydrophobicContact CG1-CE 3.64Å; V65-M69 HydrophobicContact CG1-CG 4.39Å; V65-M69 HydrophobicContact CG1-SD 3.9Å; V65-M69 WeakPolarHBondContact O-CB 3.43Å; V65-M69 VanDerWaalsContact O-CG 3.25Å; V65-M69 WeakPolarHBondContact O-CG 3.46Å; V65-M69 PolarHBondContact O-N 3.35Å; R67-M69 PolarHBondContact O-N 2.89Å; M69-G73 PolarHBondContact O-N 3.15Å; M69-W74 PolarHBondContact O-N 2.85Å
70	R	44.9	Very low	37.8	Very low	173 Å²	173	83.1 Å²	83.1	65%	0.653	40%	0.404	S	S	*	.	H	α-helix	trans	-69	-44	176.8	-78.8	-173.7	-69.8	-92.8	-0.8	112.4	G66 R67 N72 G73	G66-R70 WeakPolarHBondContact O-CB 3.39Å; G66-R70 WeakPolarHBondContact O-CG 3.36Å; G66-R70 PolarHBondContact O-N 2.77Å; G66-R70 PolarHBondContact O-NE 3.06Å; R67-R70 PolarHBondContact O-N 3.18Å; R70-N72 PolarHBondContact O-N 3.41Å; R70-G73 PolarHBondContact O-N 2.91Å
71	S	39.8	Very low	37	Very low	52 Å²	52	91 Å²	91	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-66.8	-21.9	-180	62.7	0	0	0	0	113	R67 V68	R67-S71 WeakPolarHBondContact O-CB 3.4Å; R67-S71 PolarHBondContact O-N 3.16Å; R67-S71 PolarHBondContact O-OG 3.26Å; V68-S71 PolarHBondContact O-OG 3.11Å
72	N	37.4	Very low	36.4	Very low	21 Å²	21	92.5 Å²	92.5	11%	0.112	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.1	179.4	-73.7	-19.7	0	0	0	114.6	V68 R70 W74 Y438 K442	V68-N72 WeakPolarHBondContact O-CB 3.32Å; V68-N72 PolarHBondContact O-N 3.32Å; V68-N72 PolarHBondContact O-ND2 2.89Å; R70-N72 PolarHBondContact O-N 3.41Å; N72-W74 VanDerWaalsContact C-CD1 3.46Å; N72-W74 VanDerWaalsContact C-N 3.29Å; N72-W74 HydrophobicContact CB-CD2 4.48Å; N72-W74 HydrophobicContact CB-CG 4.01Å; N72-W74 PolarHBondContact O-NE1 3.15Å; N72-Y438 WeakPolarHBondContact ND2-CD2 3.23Å; N72-Y438 WeakPolarHBondContact ND2-CE2 3.46Å; N72-K442 VanDerWaalsContact OD1-CE 3.25Å; N72-K442 WeakPolarHBondContact OD1-CE 3.49Å; N72-K442 PolarHBondContact OD1-NZ 3.08Å
73	G	32.4	Very low	35.9	Very low	57 Å²	57	99.3 Å²	99.3	59%	0.588	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	17.2	-177.5	0	0	0	0	0	114.1	M69 R70 Y75	M69-G73 PolarHBondContact O-N 3.15Å; R70-G73 PolarHBondContact O-N 2.91Å; G73-Y75 PolarHBondContact O-N 3.35Å
74	W	37.9	Very low	34.9	Very low	98 Å²	98	97.9 Å²	97.9	37%	0.371	49%	0.492	S	S	.	.			trans	-87	12.2	-175.8	-64.8	21.8	0	0	0	112.8	M69 N72 S456 M459	M69-W74 PolarHBondContact O-N 2.85Å; N72-W74 VanDerWaalsContact C-CD1 3.46Å; N72-W74 VanDerWaalsContact C-N 3.29Å; N72-W74 HydrophobicContact CB-CD2 4.48Å; N72-W74 HydrophobicContact CB-CG 4.01Å; N72-W74 PolarHBondContact O-NE1 3.15Å; W74-S456 WeakPolarHBondContact CH2-OG 3.47Å; W74-S456 VanDerWaalsContact CZ3-CB 3.41Å; W74-S456 WeakPolarHBondContact CZ3-OG 3.25Å; W74-M459 HydrophobicContact CH2-CE 4.49Å; W74-M459 HydrophobicContact CZ2-CE 3.64Å
75	Y	31.3	Very low	34.3	Very low	103 Å²	103	104.1 Å²	104.1	40%	0.404	53%	0.526	S	S	.	.			trans	-138.8	104.7	174.1	-144.9	-90.9	0	0	0	108.1	G73	G73-Y75 PolarHBondContact O-N 3.35Å
76	S	28.1	Very low	33.8	Very low	104 Å²	104	108.9 Å²	108.9	73%	0.727	55%	0.549	S	S	*	.			trans	-79.3	119.7	159.2	-56.9	0	0	0	0	107.1	E78	S76-E78 PolarHBondContact O-N 3.36Å
77	D	30.1	Very low	33.3	Very low	88 Å²	88	113.1 Å²	113.1	47%	0.471	58%	0.583	S	S	.	*			trans	-65.8	102.4	167.5	-164.4	-0.4	0	0	0	107.6	R79 E80	D77-R79 PolarHBondContact O-N 2.95Å; D77-R79 WeakPolarHBondContact OD1-CB 3.39Å; D77-R79 PolarHBondContact OD1-N 3.02Å; D77-R79 IonicContact OD1-NE 3.59Å; D77-E80 PolarHBondContact O-N 3.24Å; D77-E80 VanDerWaalsContact O-N 3.12Å
78	E	30.2	Very low	32.5	Very low	161 Å²	161	113.6 Å²	113.6	75%	0.752	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	4.5	173.6	-77.2	-164.6	138.4	0	0	113.1	S76	S76-E78 PolarHBondContact O-N 3.36Å
79	R	32.3	Very low	32.1	Very low	172 Å²	172	117 Å²	117	65%	0.649	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-2.6	171.8	-73.9	-174.3	-94.3	-151.7	-3.9	115.7	D77	D77-R79 PolarHBondContact O-N 2.95Å; D77-R79 WeakPolarHBondContact OD1-CB 3.39Å; D77-R79 PolarHBondContact OD1-N 3.02Å; D77-R79 IonicContact OD1-NE 3.59Å
80	E	30.2	Very low	31.6	Very low	171 Å²	171	125.1 Å²	125.1	80%	0.799	67%	0.67	S	S	*	*			trans	-110.7	60.9	167.5	-71.1	-166.1	158.6	0	0	112.1	D77	D77-E80 PolarHBondContact O-N 3.24Å; D77-E80 VanDerWaalsContact O-N 3.12Å
81	K	26	Very low	31	Very low	178 Å²	178	124.9 Å²	124.9	77%	0.774	68%	0.681	S	S	*	*			trans	-71.1	132.2	152.1	-82.8	-177.2	178.5	176.5	0	107.8	K83	K81-K83 PolarHBondContact O-N 3.33Å
82	P	26.6	Very low	30.8	Very low	119 Å²	119	128.3 Å²	128.3	77%	0.773	70%	0.7	S	S	*	*			trans	-57.8	114.9	170.6	23.4	-30.4	0	0	0	108.2	S84	P82-S84 PolarHBondContact O-N 3.07Å
83	K	29.2	Very low	30.7	Very low	199 Å²	199	134.5 Å²	134.5	87%	0.865	73%	0.733	S	S	*	*	S	Bend	trans	-62.7	128.6	169.3	-71.6	177.3	179.6	172.9	0	107.1	K81	K81-K83 PolarHBondContact O-N 3.33Å
84	S	29.3	Very low	30.8	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	75%	0.748	S	S	*	*			trans	84.7	74.5	172.7	78.1	0	0	0	0	117.9	P82	P82-S84 PolarHBondContact O-N 3.07Å
85	I	29.3	Very low	30.5	Very low	170 Å²	170	137 Å²	137	87%	0.872	77%	0.769	S	S	*	*				-104.1	86.5	126.5	-63.4	173.9	0	0	0	105.4
86	N	30.4	Very low	30.3	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	79%	0.792	S	S	*	*			trans	-158.6	68	163.7	-104.3	-10.7	0	0	0	107.1
87	A	30	Very low	30.7	Very low	105 Å²	105	141.5 Å²	141.5	87%	0.868	79%	0.789	S	S	*	*			trans	-146.8	55.3	165.4	0	0	0	0	0	108.6
88	A	27.8	Very low	30.8	Very low	102 Å²	102	143.7 Å²	143.7	84%	0.843	81%	0.806	S	S	*	*			trans	-125.3	68.6	165.3	0	0	0	0	0	108.2
89	A	29.9	Very low	30.8	Very low	86 Å²	86	139.5 Å²	139.5	71%	0.711	81%	0.805	S	S	*	*	S	Bend	trans	-168.2	119	157.6	0	0	0	0	0	109.3
90	K	31.5	Very low	30.9	Very low	200 Å²	200	136.4 Å²	136.4	87%	0.87	81%	0.81	S	S	*	*			trans	76	105.7	176.1	-51.6	169.2	-179.7	178.3	0	112
91	L	32	Very low	31	Very low	169 Å²	169	135.6 Å²	135.6	89%	0.885	81%	0.811	S	S	*	*				-157.9	137.6	71.5	-82.7	151.2	0	0	0	110.9
92	T	35.3	Very low	31.4	Very low	123 Å²	123	135.6 Å²	135.6	76%	0.755	82%	0.816	S	S	*	*			trans	-69.6	147.8	169	45.7	0	0	0	0	112.2
93	N	34.4	Very low	31.6	Very low	152 Å²	152	135.2 Å²	135.2	81%	0.813	82%	0.816	S	S	*	*			trans	80.5	118.1	150.7	-83.4	-11.4	0	0	0	121.2
94	S	35.5	Very low	31.6	Very low	127 Å²	127	131.2 Å²	131.2	89%	0.888	81%	0.813	S	S	*	*			trans	97.6	119.3	134.5	71.7	0	0	0	0	118.9
95	G	31.8	Very low	31.8	Very low	80 Å²	80	131.1 Å²	131.1	83%	0.825	82%	0.819	S	S	*	*			trans	117.8	84	142.4	0	0	0	0	0	118.2
96	F	27.5	Very low	31.8	Very low	199 Å²	199	126.3 Å²	126.3	87%	0.873	81%	0.812	S	S	*	*			trans	-60.1	173.1	149.3	-92.3	-94.1	0	0	0	111.1
97	P	35.6	Very low	31.8	Very low	102 Å²	102	127.6 Å²	127.6	66%	0.662	82%	0.817	S	S	*	*			cis	-147.8	165.8	18.7	35.7	-11.5	0	0	0	119.6
98	T	31.2	Very low	31.6	Very low	135 Å²	135	128.7 Å²	128.7	83%	0.828	81%	0.813	S	S	*	*			trans	62.4	136.2	133.4	60.5	0	0	0	0	126.2
99	G	31.8	Very low	31.7	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	82%	0.816	S	S	*	*			trans	107.3	138.7	150.6	0	0	0	0	0	113.9
100	S	33.9	Very low	31.8	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	82%	0.821	S	S	*	*			cis	176.1	135.2	-9.2	35.8	0	0	0	0	107
101	N	31.1	Very low	31.7	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	82%	0.822	S	S	*	*			trans	49.1	126.6	151.9	-61.4	-18.5	0	0	0	121.8
102	M	34.4	Very low	31.7	Very low	178 Å²	178	138.4 Å²	138.4	88%	0.877	82%	0.821	S	S	*	*				175.5	122.5	100.5	-86.6	-175.4	84.1	0	0	112.6
103	S	31.7	Very low	31.4	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	82%	0.819	S	S	*	*			trans	3.6	152.8	138.7	-47.4	0	0	0	0	119
104	S	30	Very low	31.1	Very low	115 Å²	115	136 Å²	136	80%	0.804	82%	0.816	S	S	*	*			cis	176.3	167.2	20.3	27	0	0	0	0	110.3
105	A	33.7	Very low	30.9	Very low	107 Å²	107	139.2 Å²	139.2	88%	0.884	82%	0.82	S	S	*	*			trans	88.4	123.9	163	0	0	0	0	0	116.4
106	G	28.4	Very low	30.9	Very low	70 Å²	70	141.1 Å²	141.1	72%	0.722	82%	0.816	S	S	*	*			cis	145.2	127.5	6.2	0	0	0	0	0	108.5
107	L	30.2	Very low	31	Very low	185 Å²	185	135.9 Å²	135.9	97%	0.969	81%	0.809	S	S	*	*			trans	167.2	112.9	143.8	-87.6	172.5	0	0	0	109.5
108	T	26	Very low	30.6	Very low	128 Å²	128	143.2 Å²	143.2	79%	0.785	82%	0.824	S	S	*	*			trans	-111.5	144.1	174.9	49.1	0	0	0	0	109.5
109	Y	30.6	Very low	30.6	Very low	231 Å²	231	141.4 Å²	141.4	91%	0.906	82%	0.822	S	S	*	*			trans	-135.4	140.5	152.8	-116.4	-89.1	0	0	0	110
110	Q	31.5	Very low	30.3	Very low	171 Å²	171	142.7 Å²	142.7	80%	0.799	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-82	142.4	-147.7	-69.5	158.4	-70.8	0	0	115.6
111	E	29	Very low	30.2	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.1	140.1	159.8	-65	-168.2	137.4	0	0	111.3
112	L	31.4	Very low	30.2	Very low	166 Å²	166	141.1 Å²	141.1	87%	0.869	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-94.8	143.4	167.2	-77.1	167.6	0	0	0	110
113	P	30.2	Very low	30.1	Very low	108 Å²	108	138.1 Å²	138.1	70%	0.701	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-77.4	153.7	-166	31.8	-35	0	0	0	113.3
114	P	28.1	Very low	30.1	Very low	116 Å²	116	142 Å²	142	75%	0.753	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-80.7	131	175.9	33	-30.2	0	0	0	110.2	T116	P114-T116 PolarHBondContact O-N 3.34Å
115	M	30.2	Very low	30.3	Very low	196 Å²	196	142.5 Å²	142.5	97%	0.966	83%	0.834	S	S	*	*			trans	-91.8	98.8	166.6	-80.1	-117.6	-98.4	0	0	109.8
116	T	33.3	Very low	30.3	Very low	120 Å²	120	143.2 Å²	143.2	74%	0.736	83%	0.832	S	S	*	*			trans	-69	129.7	162.5	38	0	0	0	0	111.5	P114	P114-T116 PolarHBondContact O-N 3.34Å
117	A	28.1	Very low	30.5	Very low	89 Å²	89	146.7 Å²	146.7	74%	0.736	83%	0.834	S	S	*	*			trans	57.8	144.6	152.1	0	0	0	0	0	117.6
118	W	27.7	Very low	30.9	Very low	256 Å²	256	145.8 Å²	145.8	97%	0.97	83%	0.825	S	S	*	*				-167.6	107.6	128.2	-92.4	16.4	0	0	0	108.4
119	A	30.2	Very low	31.4	Very low	96 Å²	96	147 Å²	147	79%	0.793	82%	0.821	S	S	*	*			trans	-69.8	139	158.5	0	0	0	0	0	108.7
120	A	26.9	Very low	31.7	Very low	99 Å²	99	143 Å²	143	82%	0.818	81%	0.811	S	S	*	*			trans	-62.2	147.1	174.8	0	0	0	0	0	112.2
121	P	32.2	Very low	31.9	Very low	119 Å²	119	142.7 Å²	142.7	77%	0.773	81%	0.809	S	S	*	*			trans	-114.8	128.4	154.9	32.5	-20.4	0	0	0	111
122	A	29.6	Very low	32.2	Very low	111 Å²	111	142.2 Å²	142.2	92%	0.917	81%	0.806	S	S	*	*			trans	-73.2	133.9	156.9	0	0	0	0	0	108.7
123	S	32.8	Very low	32.4	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	80%	0.8	S	S	*	*			trans	-131.8	121.2	172.5	60.2	0	0	0	0	110
124	E	31.3	Very low	32.7	Very low	192 Å²	192	141.8 Å²	141.8	90%	0.897	81%	0.81	S	S	*	*			trans	-98.6	150.3	157.1	-76.7	-169.3	152.2	0	0	110
125	P	34.7	Very low	33	Very low	124 Å²	124	140.8 Å²	140.8	81%	0.805	81%	0.806	S	S	*	*			trans	-103.6	158.7	-163.5	38.5	-30.2	0	0	0	113.5
126	S	34.7	Very low	33.2	Very low	122 Å²	122	139.2 Å²	139.2	85%	0.853	80%	0.799	S	S	*	*			trans	-146.9	144.1	156.9	32.2	0	0	0	0	111.5
127	D	31.2	Very low	33.5	Very low	144 Å²	144	140.4 Å²	140.4	77%	0.77	80%	0.796	S	S	*	*			trans	-65.3	152.9	-163.2	-62.2	-70.1	0	0	0	116.5
128	H	38.2	Very low	33.8	Very low	166 Å²	166	141.5 Å²	141.5	77%	0.769	79%	0.789	S	S	*	*				179.8	129.3	114.1	-88.3	-50.2	0	0	0	113
129	H	37.1	Very low	34.2	Very low	153 Å²	153	136.2 Å²	136.2	71%	0.708	78%	0.775	S	S	*	*			trans	13.5	143	142.8	-59.2	-49.5	0	0	0	119.3
130	H	37	Very low	34.3	Very low	148 Å²	148	141.6 Å²	141.6	69%	0.685	77%	0.774	S	S	*	*			cis	-175	153.9	35.9	-126.6	8.5	0	0	0	111
131	H	36.6	Very low	34.8	Very low	164 Å²	164	144.9 Å²	144.9	76%	0.759	77%	0.772	S	S	*	*			trans	83.3	147.4	151.4	-72.3	-63.7	0	0	0	123.4
132	Q	34.6	Very low	34.7	Very low	182 Å²	182	144.1 Å²	144.1	85%	0.85	77%	0.77	S	S	*	*			trans	-109.1	172.4	-145.1	-96.4	-173	-37.9	0	0	114.2
133	P	36.5	Very low	34.9	Very low	113 Å²	113	146.8 Å²	146.8	73%	0.734	77%	0.769	S	S	*	*			trans	-108.6	176.3	-167.8	40.6	-30.3	0	0	0	114.6
134	V	36.5	Very low	34.8	Very low	152 Å²	152	149.3 Å²	149.3	92%	0.921	77%	0.768	S	S	*	*			trans	-131	136	166.3	-176.7	0	0	0	0	110.5
135	S	32.9	Very low	34.9	Very low	95 Å²	95	146.5 Å²	146.5	66%	0.664	76%	0.764	S	S	*	*			trans	-99.2	162	-177.5	101.9	0	0	0	0	111.7
136	M	36.1	Very low	34.5	Very low	164 Å²	164	148.8 Å²	148.8	81%	0.808	76%	0.764	S	S	*	*			trans	-176.4	119.3	133.6	-101	-168.4	173.8	0	0	110.1
137	H	38.7	Very low	34.4	Very low	145 Å²	145	149.5 Å²	149.5	67%	0.671	76%	0.762	S	S	*	*				69	137.3	99.5	-77	68.6	0	0	0	113.1
138	D	33.6	Very low	34.4	Very low	111 Å²	111	150.1 Å²	150.1	59%	0.594	77%	0.765	S	S	*	*			cis	-176.4	169	-0.5	-136.5	-38	0	0	0	109.4
139	H	37.7	Very low	34	Very low	146 Å²	146	148.4 Å²	148.4	68%	0.676	77%	0.766	S	S	*	*			trans	88.3	104.9	146.9	-64.9	-7.8	0	0	0	124.9
140	R	32	Very low	33.9	Very low	208 Å²	208	146.9 Å²	146.9	79%	0.785	77%	0.77	S	S	*	*				51.4	121.6	110.6	-89.2	177.3	173.9	-169.1	3.9	121.2
141	H	37	Very low	33.5	Very low	168 Å²	168	145 Å²	145	78%	0.778	77%	0.773	S	S	*	*				170.9	147.1	91.9	-99.9	-11.2	0	0	0	114.9
142	S	30.2	Very low	33.5	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	78%	0.78	S	S	*	*			trans	-65	159.5	178	-61.4	0	0	0	0	115.3
143	N	34.3	Very low	33.6	Very low	167 Å²	167	140.9 Å²	140.9	89%	0.893	78%	0.775	S	S	*	*				-166.4	138.6	120.7	-92.4	-24.9	0	0	0	113.7
144	H	29.6	Very low	33.3	Very low	168 Å²	168	144.4 Å²	144.4	78%	0.778	78%	0.779	S	S	*	*			trans	-72.6	145	175.5	-117.8	-98.4	0	0	0	111.8
145	V	34.6	Very low	33.1	Very low	133 Å²	133	144.3 Å²	144.3	81%	0.806	77%	0.77	S	S	*	*			trans	-145.5	117.1	150.1	180	0	0	0	0	109.3	V147	V145-V147 HydrophobicContact CG1-CG2 4.02Å
146	E	25.3	Very low	32.8	Very low	172 Å²	172	144.2 Å²	144.2	80%	0.804	78%	0.775	S	S	*	*			trans	-80.9	143.2	163.2	-70.5	177.5	141.8	0	0	109.9
147	V	33.2	Very low	32.7	Very low	136 Å²	136	142.5 Å²	142.5	82%	0.824	78%	0.779	S	S	*	*			trans	-145.5	132.3	155	-159.3	0	0	0	0	111.7	V145	V145-V147 HydrophobicContact CG1-CG2 4.02Å
148	N	30.8	Very low	32.2	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	79%	0.789	S	S	*	*			trans	-60.7	157.3	-177	-85	-40.6	0	0	0	117.5
149	V	29	Very low	32.2	Very low	130 Å²	130	144.6 Å²	144.6	79%	0.788	80%	0.796	S	S	*	*			trans	-82.1	153	159.4	-165.9	0	0	0	0	110.4
150	P	35.4	Very low	31.9	Very low	121 Å²	121	141.7 Å²	141.7	79%	0.786	80%	0.796	S	S	*	*			trans	-123.7	136.1	154.2	33	-18.8	0	0	0	113.8
151	S	29.2	Very low	31.8	Very low	108 Å²	108	139.9 Å²	139.9	76%	0.755	80%	0.803	S	S	*	*			trans	-82.4	156	165.5	-36	0	0	0	0	111
152	T	35.7	Very low	31.3	Very low	147 Å²	147	135 Å²	135	90%	0.902	80%	0.798	S	S	*	*			trans	175.9	160.2	134.9	32.2	0	0	0	0	114
153	P	36.6	Very low	31.1	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	80%	0.802	S	S	*	*			trans	-124	174.5	-148.4	43.1	-30.1	0	0	0	115.6
154	F	30.1	Very low	30.7	Very low	187 Å²	187	141 Å²	141	82%	0.82	80%	0.801	S	S	*	*			trans	-168	120.3	147.3	-142.5	-110.7	0	0	0	117.6
155	M	32.2	Very low	30.5	Very low	151 Å²	151	140.6 Å²	140.6	74%	0.744	80%	0.804	S	S	*	*			trans	37.4	119.8	139.9	-58.1	-160.7	143.7	0	0	127.3
156	A	28.3	Very low	30.2	Very low	93 Å²	93	141.4 Å²	141.4	77%	0.769	81%	0.81	S	S	*	*				72.9	116.2	112.3	0	0	0	0	0	123.7
157	S	32.2	Very low	30.3	Very low	127 Å²	127	141.8 Å²	141.8	89%	0.888	81%	0.811	S	S	*	*				-177.2	125.3	112.2	33.7	0	0	0	0	112.6
158	E	28.3	Very low	30.2	Very low	189 Å²	189	144 Å²	144	88%	0.883	81%	0.812	S	S	*	*			trans	-98	-179.9	167.5	-100.8	-169.9	156.5	0	0	109.3
159	P	35.4	Very low	29.9	Very low	112 Å²	112	141.8 Å²	141.8	73%	0.727	81%	0.809	S	S	*	*			cis	-147.6	175.5	21.8	37.4	-14.2	0	0	0	119.7
160	A	30	Very low	29.8	Very low	84 Å²	84	146.7 Å²	146.7	69%	0.694	81%	0.814	S	S	*	*			trans	71	111.9	141.8	0	0	0	0	0	121.3
161	N	29.8	Very low	29.5	Very low	171 Å²	171	148.5 Å²	148.5	91%	0.914	82%	0.815	S	S	*	*				165.2	133.4	79	-117.1	-3.8	0	0	0	111.6
162	G	26.5	Very low	29.3	Very low	66 Å²	66	153.3 Å²	153.3	68%	0.68	82%	0.817	S	S	*	*			trans	107.9	108.8	141.9	0	0	0	0	0	120.4
163	Q	26.5	Very low	28.7	Very low	174 Å²	174	151.2 Å²	151.2	81%	0.813	81%	0.808	S	S	*	*			trans	93.2	89	146	-75.4	160.9	-71.8	0	0	121.4
164	Y	27	Very low	28.1	Very low	222 Å²	222	151.4 Å²	151.4	87%	0.871	81%	0.808	S	S	*	*			trans	41	94.6	137.6	-46.9	-77.8	0	0	0	119.8
165	D	24.4	Very low	27.8	Very low	159 Å²	159	148 Å²	148	85%	0.85	81%	0.806	S	S	*	*			trans	-91.6	138.3	160.3	-91.3	-48.3	0	0	0	111.6
166	V	29.4	Very low	27.3	Very low	151 Å²	151	145.3 Å²	145.3	92%	0.915	81%	0.807	S	S	*	*			trans	-111.2	100.4	164.1	178.6	0	0	0	0	106.9
167	E	26.1	Very low	27.2	Very low	179 Å²	179	149.2 Å²	149.2	84%	0.836	81%	0.814	S	S	*	*			trans	-129.8	111.2	173.3	-164.2	176.6	-152.1	0	0	107.4
168	E	31.2	Very low	26.9	Very low	182 Å²	182	150.5 Å²	150.5	85%	0.85	81%	0.81	S	S	*	*			trans	-158.9	95.8	155.7	-118.4	-179.5	-172	0	0	110.8
169	S	25.3	Very low	26.8	Very low	111 Å²	111	146.9 Å²	146.9	78%	0.776	80%	0.803	S	S	*	*			trans	-102.6	139.5	152	-82.2	0	0	0	0	108.3
170	R	27.3	Very low	26.3	Very low	234 Å²	234	145.8 Å²	145.8	88%	0.883	80%	0.798	S	S	*	*			trans	83.1	113.7	174.5	-56.1	174.1	171.9	173.1	-1.7	115.2
171	I	28.2	Very low	26.1	Very low	159 Å²	159	148.9 Å²	148.9	82%	0.815	80%	0.802	S	S	*	*				-172.6	116.8	121	-84	144.3	0	0	0	107.7
172	W	24.5	Very low	26.1	Very low	208 Å²	208	148 Å²	148	79%	0.788	80%	0.803	S	S	*	*			trans	-76.6	151.8	161.6	-91.8	-55.7	0	0	0	110.4
173	S	22.9	Very low	26.2	Very low	103 Å²	103	153.6 Å²	153.6	72%	0.72	81%	0.811	S	S	*	*			trans	82.1	112.3	162.1	-158.9	0	0	0	0	116.3
174	T	25.1	Very low	26.3	Very low	118 Å²	118	151.9 Å²	151.9	72%	0.724	80%	0.803	S	S	*	*				166.5	123.4	102.5	-60	0	0	0	0	111.1
175	C	22.7	Very low	26.5	Very low	115 Å²	115	147.1 Å²	147.1	78%	0.777	80%	0.799	S	S	*	*			trans	40.2	116.2	152.7	-60.9	0	0	0	0	122.5
176	A	22.6	Very low	26.5	Very low	94 Å²	94	147.1 Å²	147.1	78%	0.777	79%	0.794	S	S	*	*				38.3	115.7	122.1	0	0	0	0	0	119.1
177	L	26.8	Very low	26.5	Very low	175 Å²	175	143.8 Å²	143.8	92%	0.916	79%	0.79	S	S	*	*			trans	-161.9	118.2	135.2	-92.5	174.2	0	0	0	109
178	I	24.1	Very low	26.4	Very low	154 Å²	154	142.2 Å²	142.2	79%	0.79	79%	0.786	S	S	*	*			trans	-92	147.4	161	-62.2	168.9	0	0	0	106.6
179	P	27.1	Very low	26.3	Very low	113 Å²	113	144 Å²	144	73%	0.734	79%	0.791	S	S	*	*				-132.2	133.8	122.6	8.8	13.2	0	0	0	113.7
180	S	25.3	Very low	26.3	Very low	89 Å²	89	146.5 Å²	146.5	62%	0.622	79%	0.79	S	S	*	*				20.1	138.2	121.7	-30.5	0	0	0	0	116.8
181	D	24.6	Very low	26.2	Very low	149 Å²	149	140.3 Å²	140.3	80%	0.797	78%	0.783	S	S	*	*			cis	-171.6	137.2	29.6	-78	-59.6	0	0	0	106.2
182	V	30.4	Very low	26.2	Very low	152 Å²	152	143 Å²	143	92%	0.921	79%	0.789	S	S	*	*			trans	-148.8	122.8	144	-172.7	0	0	0	0	109.1
183	H	30	Very low	26.2	Very low	185 Å²	185	137.8 Å²	137.8	86%	0.856	79%	0.79	S	S	*	*			trans	-71.3	149	-179.3	-120.9	-91.7	0	0	0	113.1
184	E	27.8	Very low	26.4	Very low	138 Å²	138	137.4 Å²	137.4	65%	0.645	79%	0.793	S	S	*	*			trans	-53.9	169.8	169.7	-136.2	178.5	-153.8	0	0	114.1	H186	E184-H186 IonicContact OE1-CD2 2.98Å; E184-H186 IonicContact OE1-NE2 3.91Å; E184-H186 IonicContact OE2-CD2 2.7Å; E184-H186 PolarHBondContact OE2-CD2 3.45Å; E184-H186 IonicContact OE2-NE2 2.71Å
185	P	30.9	Very low	26.5	Very low	122 Å²	122	139 Å²	139	79%	0.792	80%	0.796	S	S	*	*				-148.8	157.2	82.3	35.9	-15.7	0	0	0	117.6
186	H	24.7	Very low	26.7	Very low	159 Å²	159	142.2 Å²	142.2	74%	0.736	80%	0.801	S	S	*	*			trans	-39.2	139.5	165.8	-74.4	-97.8	0	0	0	116.3	E184	E184-H186 IonicContact OE1-CD2 2.98Å; E184-H186 IonicContact OE1-NE2 3.91Å; E184-H186 IonicContact OE2-CD2 2.7Å; E184-H186 PolarHBondContact OE2-CD2 3.45Å; E184-H186 IonicContact OE2-NE2 2.71Å
187	G	29.3	Very low	26.8	Very low	81 Å²	81	145.1 Å²	145.1	84%	0.835	80%	0.804	S	S	*	*			trans	-148.1	103.7	167.5	0	0	0	0	0	111.4
188	I	23.6	Very low	26.9	Very low	146 Å²	146	144.9 Å²	144.9	75%	0.749	80%	0.798	S	S	*	*			trans	-60.6	133.8	174.3	-66	156.1	0	0	0	110.5
189	F	28.7	Very low	27.2	Very low	218 Å²	218	147.9 Å²	147.9	96%	0.956	80%	0.799	S	S	*	*			trans	-155.8	133.2	142.8	-107.3	-76	0	0	0	112.8
190	H	25	Very low	27.4	Very low	164 Å²	164	152.6 Å²	152.6	76%	0.759	80%	0.804	S	S	*	*			trans	-76.1	158	-172.4	-105.7	-100.4	0	0	0	114.7
191	S	25.4	Very low	27.5	Very low	105 Å²	105	156.9 Å²	156.9	73%	0.734	81%	0.814	S	S	*	*			trans	77.2	114.1	140.5	69	0	0	0	0	120.6
192	K	28.8	Very low	28	Very low	216 Å²	216	155.2 Å²	155.2	94%	0.939	81%	0.812	S	S	*	*				-158.5	110	114.6	-111.6	175.9	178.7	179.9	0	110.7
193	A	24.7	Very low	28.2	Very low	98 Å²	98	152 Å²	152	81%	0.81	80%	0.801	S	S	*	*			trans	-107.9	167.7	165.1	0	0	0	0	0	109.2
194	A	26.6	Very low	28.3	Very low	94 Å²	94	149.5 Å²	149.5	78%	0.777	80%	0.799	S	S	*	*			trans	81.4	124.6	-178.8	0	0	0	0	0	113.6
195	I	27.4	Very low	28.4	Very low	153 Å²	153	147 Å²	147	79%	0.785	80%	0.802	S	S	*	*				-163.4	123.9	64.2	-77.6	155.5	0	0	0	109.8
196	M	26.7	Very low	28.5	Very low	182 Å²	182	149.2 Å²	149.2	90%	0.897	81%	0.807	S	S	*	*			trans	155.1	87.1	132.6	-98.8	163	80	0	0	112.6
197	D	25.9	Very low	28.6	Very low	154 Å²	154	146.6 Å²	146.6	82%	0.824	81%	0.807	S	S	*	*			trans	-73.5	143.3	150.9	-78.6	-43.7	0	0	0	109.7
198	Q	28.2	Very low	28.8	Very low	170 Å²	170	149.7 Å²	149.7	79%	0.794	81%	0.809	S	S	*	*				169.2	153.3	116.8	-95.9	171.5	-13.4	0	0	111.6
199	W	31.3	Very low	29.1	Very low	217 Å²	217	152.2 Å²	152.2	82%	0.822	82%	0.815	S	S	*	*	S	Bend	trans	102	76.9	168.6	-55.5	87.5	0	0	0	117.1
200	Y	30.6	Very low	29	Very low	213 Å²	213	145.8 Å²	145.8	84%	0.835	80%	0.802	S	S	*	*				124.1	132.3	113.4	-115.6	-100.4	0	0	0	117.5
201	E	28.1	Very low	29.2	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	80%	0.804	S	S	*	*			trans	-96.8	170.6	-151.3	-100.1	-157	171.4	0	0	116.4
202	P	34.7	Very low	29.4	Very low	115 Å²	115	144.3 Å²	144.3	75%	0.747	81%	0.805	S	S	*	*			trans	-101.9	173	-170.4	40.4	-32.7	0	0	0	114.2
203	A	33.2	Very low	29.4	Very low	85 Å²	85	139.8 Å²	139.8	70%	0.702	80%	0.795	S	S	*	*			trans	-147	114.3	162.5	0	0	0	0	0	114.2
204	T	34	Very low	29.8	Very low	131 Å²	131	142.7 Å²	142.7	80%	0.804	79%	0.792	S	S	*	*			trans	63.1	104.1	132.9	64.1	0	0	0	0	119.4
205	A	29.5	Very low	30	Very low	86 Å²	86	145.7 Å²	145.7	71%	0.711	80%	0.795	S	S	*	*				74.3	107.9	77.8	0	0	0	0	0	115.1
206	N	31.6	Very low	30.1	Very low	168 Å²	168	147.1 Å²	147.1	90%	0.898	79%	0.792	S	S	*	*				-169.5	139.5	116.2	-98.5	-22.8	0	0	0	114.1
207	S	27.6	Very low	30.3	Very low	104 Å²	104	143.8 Å²	143.8	73%	0.727	78%	0.783	S	S	*	*			trans	-67.2	141	178.5	168.7	0	0	0	0	113
208	T	32.8	Very low	30.4	Very low	146 Å²	146	146 Å²	146	90%	0.896	79%	0.789	S	S	*	*			trans	-166.4	151.4	136.1	15.1	0	0	0	0	111.9
209	K	29.8	Very low	30.5	Very low	199 Å²	199	143.1 Å²	143.1	87%	0.865	79%	0.788	S	S	*	*			trans	-81.7	156.2	-161.2	-73.6	168.3	169.5	171.4	0	115
210	A	27.5	Very low	30.5	Very low	84 Å²	84	138.4 Å²	138.4	69%	0.694	78%	0.777	S	S	*	*			trans	91	118.8	134.8	0	0	0	0	0	121.2
211	T	29.2	Very low	30.5	Very low	128 Å²	128	134.1 Å²	134.1	79%	0.785	76%	0.76	S	S	*	*			trans	83	110.2	132.8	46.9	0	0	0	0	122.1
212	S	29.6	Very low	30.5	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	75%	0.745	S	S	*	*			trans	52.9	134.5	143.2	71.8	0	0	0	0	118.2
213	V	29.2	Very low	30.4	Very low	120 Å²	120	133.2 Å²	133.2	73%	0.727	75%	0.746	S	S	*	*				-157.9	130.3	59.9	174.9	0	0	0	0	109
214	H	32.1	Very low	30.3	Very low	160 Å²	160	136.2 Å²	136.2	74%	0.741	75%	0.745	S	S	*	*			trans	-103.8	117.8	169.3	-98.3	-66.6	0	0	0	109.2	Y216	H214-Y216 HydrophobicContact CB-CD2 4.08Å; H214-Y216 HydrophobicContact CB-CE2 4.17Å; H214-Y216 AromaticContact CG-CE2 3.96Å; H214-Y216 AromaticContact ND1-CE2 3.62Å
215	N	30.6	Very low	30.1	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	75%	0.746	S	S	*	*			trans	-85.4	125.8	161.8	-81.6	-25.8	0	0	0	108.5
216	Y	30.5	Very low	30.1	Very low	183 Å²	183	136.7 Å²	136.7	72%	0.718	75%	0.748	S	S	*	*			trans	-128.4	142.7	173.5	-94.9	-84.9	0	0	0	110.7	H214	H214-Y216 HydrophobicContact CB-CD2 4.08Å; H214-Y216 HydrophobicContact CB-CE2 4.17Å; H214-Y216 AromaticContact CG-CE2 3.96Å; H214-Y216 AromaticContact ND1-CE2 3.62Å
217	P	31.2	Very low	30	Very low	112 Å²	112	136.2 Å²	136.2	73%	0.727	75%	0.745	S	S	*	*			trans	-74.7	162.3	-178.7	-6.1	24.4	0	0	0	112.7	S219	P217-S219 PolarHBondContact O-N 3.14Å; P217-S219 VanDerWaalsContact O-N 3.11Å
218	E	26.5	Very low	30.3	Very low	202 Å²	202	142.8 Å²	142.8	94%	0.944	76%	0.756	S	S	*	*	S	Bend	trans	-57.7	96.9	-174.5	-64.3	179.9	130.8	0	0	114.7
219	S	31.6	Very low	30.1	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	75%	0.749	S	S	*	*			trans	-166.1	53.7	158.6	73.8	0	0	0	0	113.3	P217	P217-S219 PolarHBondContact O-N 3.14Å; P217-S219 VanDerWaalsContact O-N 3.11Å
220	I	29.9	Very low	30	Very low	117 Å²	117	138.4 Å²	138.4	60%	0.6	75%	0.753	S	S	*	*			trans	-130.8	86.8	179.5	-54.5	-171.7	0	0	0	111.9
221	Y	30.5	Very low	30.1	Very low	123 Å²	123	137.4 Å²	137.4	48%	0.482	75%	0.751	S	S	.	*	S	Bend	trans	-133.9	44.4	150.7	-152.7	-92.2	0	0	0	109.2	L294	Y221-L294 HydrophobicContact CD2-CD2 3.71Å; Y221-L294 HydrophobicContact CE2-CD2 3.76Å
222	S	29.1	Very low	30.2	Very low	73 Å²	73	138.3 Å²	138.3	51%	0.51	76%	0.757	S	S	.	*	S	Bend	trans	-172.6	82.8	166.9	-81.9	0	0	0	0	111.1	R571	S222-R571 PolarHBondContact OG-NH1 3.38Å
223	R	31.8	Very low	30.1	Very low	201 Å²	201	142 Å²	142	76%	0.758	76%	0.762	S	S	*	*			trans	-158.6	146.8	161.4	-149.1	172.7	159.7	139.1	0.5	112.8
224	E	30.8	Very low	30.3	Very low	149 Å²	149	143.1 Å²	143.1	70%	0.696	77%	0.769	S	S	*	*			trans	76.4	95.8	158	-84	147.8	-154	0	0	120.6
225	V	30	Very low	30.1	Very low	134 Å²	134	144.6 Å²	144.6	81%	0.812	78%	0.777	S	S	*	*				-154.1	96.7	118.2	-168.6	0	0	0	0	108.7
226	A	30	Very low	30.2	Very low	93 Å²	93	143 Å²	143	77%	0.769	78%	0.777	S	S	*	*			trans	-164.7	64.5	164.1	0	0	0	0	0	112
227	L	28.8	Very low	30	Very low	157 Å²	157	145 Å²	145	82%	0.822	78%	0.784	S	S	*	*			trans	-147.2	139.7	159.6	-75.1	177.7	0	0	0	108.6
228	Y	33.6	Very low	30.1	Very low	243 Å²	243	150.7 Å²	150.7	95%	0.953	79%	0.792	S	S	*	*			trans	76.5	125.9	-168.1	-56.5	-81.5	0	0	0	114.2
229	G	29.7	Very low	30.4	Very low	74 Å²	74	150.1 Å²	150.1	76%	0.763	79%	0.787	S	S	*	*			cis	154.9	142.2	13	0	0	0	0	0	106.8
230	N	28	Very low	30.4	Very low	178 Å²	178	155 Å²	155	95%	0.952	79%	0.794	S	S	*	*			trans	-42.3	145.9	-178.6	-66.9	-28.3	0	0	0	115.7
231	G	29.3	Very low	30.6	Very low	63 Å²	63	161 Å²	161	65%	0.649	81%	0.809	S	S	*	*			trans	158.7	95.3	158.9	0	0	0	0	0	117.4
232	T	31.7	Very low	30.5	Very low	148 Å²	148	158.8 Å²	158.8	91%	0.908	82%	0.824	S	S	*	*			trans	59.3	126.7	141.3	58.8	0	0	0	0	122.2
233	Q	27.8	Very low	30.8	Very low	188 Å²	188	159.7 Å²	159.7	88%	0.879	83%	0.83	S	S	*	*			trans	-51.9	133.1	170.8	-63.2	166.2	-1.1	0	0	113.7
234	T	33.1	Very low	30.7	Very low	142 Å²	142	153.5 Å²	153.5	87%	0.871	83%	0.828	S	S	*	*			trans	-142.5	121.7	143.9	54	0	0	0	0	109.5
235	E	26.9	Very low	31	Very low	192 Å²	192	156.7 Å²	156.7	90%	0.897	84%	0.835	S	S	*	*			trans	-66.1	131.6	-177.9	-59.8	174.4	124.6	0	0	112.3
236	S	32.6	Very low	31.3	Very low	121 Å²	121	162 Å²	162	85%	0.846	84%	0.841	S	S	*	*			trans	-131.7	107.4	150	78.7	0	0	0	0	109.6	Y238	S236-Y238 PolarHBondContact O-N 3.06Å
237	R	28.2	Very low	31.3	Very low	226 Å²	226	165.7 Å²	165.7	85%	0.853	84%	0.844	S	S	*	*			trans	-68.8	109.9	-170.6	-165.7	-175.2	-116.8	179.2	-1.6	111.3
238	Y	32.9	Very low	31.8	Very low	231 Å²	231	167.3 Å²	167.3	91%	0.906	85%	0.847	S	S	*	*			trans	-133.2	109	151.4	-118.8	-93.2	0	0	0	109.3	S236 K240	S236-Y238 PolarHBondContact O-N 3.06Å; Y238-K240 PolarHBondContact O-N 3.41Å
239	K	33.1	Very low	31.7	Very low	191 Å²	191	159 Å²	159	83%	0.83	84%	0.835	S	S	*	*			trans	-57.2	116.2	-173.5	-88.2	172.4	170	171.6	0	111.7	R241	K239-R241 PolarHBondContact O-N 2.85Å
240	K	31.1	Very low	32.1	Very low	211 Å²	211	161 Å²	161	92%	0.917	84%	0.838	S	S	*	*			trans	-83.4	97.4	163.7	-136.3	176.6	-173.3	179.3	0	107.8	Y238	Y238-K240 PolarHBondContact O-N 3.41Å
241	R	33.4	Very low	32.3	Very low	244 Å²	244	160.1 Å²	160.1	92%	0.921	83%	0.833	S	S	*	*			trans	-85.2	115	160.3	-98	-175.7	161.9	-168.3	-5.3	107.1	K239	K239-R241 PolarHBondContact O-N 2.85Å
242	G	29.5	Very low	32.5	Very low	76 Å²	76	161.1 Å²	161.1	78%	0.784	84%	0.835	S	S	*	*			trans	-69	141	169	0	0	0	0	0	110.7
243	S	34.8	Very low	32.7	Very low	92 Å²	92	161.1 Å²	161.1	64%	0.643	84%	0.835	S	S	*	*			trans	-166.5	136.9	146.6	-163.8	0	0	0	0	107.7	Y245	S243-Y245 VanDerWaalsContact O-CD2 3.28Å; S243-Y245 WeakPolarHBondContact O-CD2 3.42Å; S243-Y245 WeakPolarHBondContact O-CE2 3.24Å
244	G	29.5	Very low	33	Very low	70 Å²	70	155.5 Å²	155.5	72%	0.722	83%	0.828	S	S	*	*			trans	-68.3	147.9	-176.7	0	0	0	0	0	112.5
245	Y	36.2	Very low	33.2	Very low	216 Å²	216	154.2 Å²	154.2	85%	0.847	82%	0.824	S	S	*	*			trans	-122.1	97.7	171.2	-66.8	-81.7	0	0	0	109.1	S243	S243-Y245 VanDerWaalsContact O-CD2 3.28Å; S243-Y245 WeakPolarHBondContact O-CD2 3.42Å; S243-Y245 WeakPolarHBondContact O-CE2 3.24Å
246	R	36.3	Very low	34	Very low	246 Å²	246	150.2 Å²	150.2	93%	0.928	82%	0.818	S	S	*	*			trans	-67.7	136.9	158.4	-106.3	180	-93.7	-152.9	-5.7	108.1
247	M	31.7	Very low	35.2	Very low	170 Å²	170	150.5 Å²	150.5	84%	0.837	81%	0.814	S	S	*	*			trans	-62.8	127.9	172.5	-65.7	-73.2	-168.8	0	0	110.4
248	H	38.3	Very low	37.3	Very low	192 Å²	192	144.9 Å²	144.9	89%	0.889	80%	0.797	S	S	*	*			trans	-155.7	131.3	147.1	-96.8	-57.8	0	0	0	109.8
249	G	31	Very low	40	Very low	67 Å²	67	139.3 Å²	139.3	69%	0.691	78%	0.78	S	S	*	*			trans	-78.4	156.6	176	0	0	0	0	0	113
250	S	37.9	Very low	43	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	76%	0.764	S	S	*	*			trans	149.4	118.8	132.3	-64.7	0	0	0	0	110.9
251	N	33.8	Very low	46.1	Very low	158 Å²	158	124.8 Å²	124.8	85%	0.845	72%	0.721	S	S	*	*			trans	52.5	117.5	149.7	-70.2	-11.9	0	0	0	122.3
252	A	33.5	Very low	49.1	Very low	85 Å²	85	118 Å²	118	70%	0.702	70%	0.702	S	S	*	*				70.4	108.2	128.2	0	0	0	0	0	118.7
253	T	35.4	Very low	52.4	Low	148 Å²	148	114.5 Å²	114.5	91%	0.908	67%	0.666	S	S	*	*			trans	130.4	121.7	134.8	60.6	0	0	0	0	112.7
254	G	33.6	Very low	55.3	Low	70 Å²	70	110.3 Å²	110.3	72%	0.722	64%	0.637	S	S	*	*	S	Bend	trans	107	107.5	157.1	0	0	0	0	0	118.1
255	S	36.7	Very low	58.5	Low	114 Å²	114	109 Å²	109	80%	0.797	62%	0.623	S	S	*	*			trans	67.3	110.5	167	79.4	0	0	0	0	117.2	V257	S255-V257 PolarHBondContact O-N 2.82Å
256	S	44.2	Very low	61.4	Low	109 Å²	109	100.5 Å²	100.5	76%	0.762	59%	0.592	S	S	*	*			trans	-67.1	93.3	176.8	55.4	0	0	0	0	110.9	E258	S256-E258 VanDerWaalsContact C-N 3.29Å; S256-E258 PolarHBondContact O-N 2.72Å
257	V	58.1	Low	64.2	Low	127 Å²	127	94.9 Å²	94.9	77%	0.77	57%	0.574	S	S	*	*			trans	-67.3	96.2	163.9	-177.6	0	0	0	0	106.2	S255 E259	S255-V257 PolarHBondContact O-N 2.82Å; V257-E259 PolarHBondContact O-N 2.87Å
258	E	73.2	Confident	67.3	Low	107 Å²	107	87.6 Å²	87.6	50%	0.5	54%	0.542	S	S	.	.			trans	-63.1	108.2	178.5	-67.1	-164.4	132.7	0	0	108.9	S256 L260 K267	S256-E258 VanDerWaalsContact C-N 3.29Å; S256-E258 PolarHBondContact O-N 2.72Å; E258-L260 PolarHBondContact O-N 3.48Å; E258-K267 IonicContact OE1-NZ 3.22Å; E258-K267 PolarHBondContact OE1-NZ 3.35Å
259	E	87.9	Confident	70	Confident	114 Å²	114	81.3 Å²	81.3	53%	0.533	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-61.9	122.2	174.1	-72.7	-172	170.2	0	0	109.5	V257 A268 L276	V257-E259 PolarHBondContact O-N 2.87Å; E259-A268 HydrophobicContact CB-CB 4.3Å; E259-A268 WeakPolarHBondContact O-CB 3.45Å; E259-A268 PolarHBondContact O-N 3.38Å; E259-L276 HydrophobicContact CB-CD1 4.37Å; E259-L276 HydrophobicContact CB-CD2 3.99Å; E259-L276 HydrophobicContact CG-CD2 4.49Å; E259-L276 WeakPolarHBondContact OE2-CD1 3.45Å
260	L	96	Very high	73	Confident	94 Å²	94	79.2 Å²	79.2	49%	0.492	50%	0.498	S	S	.	.	B	Isolated β-bridge	trans	-99.4	148.4	-176.5	-59.2	-179.3	0	0	0	111.6	E258 L262	E258-L260 PolarHBondContact O-N 3.48Å; L260-L262 PolarHBondContact O-N 3.15Å
261	C	97.9	Very high	75.7	Confident	3 Å²	3	81.3 Å²	81.3	2%	0.02	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-66.1	122.6	176.8	174	0	0	0	0	110.9	V263 C264 G265 D266 T277 C278	C261-V263 PolarHBondContact O-N 2.99Å; C261-V263 PolarHBondContact SG-N 3.34Å; C261-C264 PolarHBondContact O-N 3.48Å; C261-G265 WeakPolarHBondContact O-CA 3.38Å; C261-G265 PolarHBondContact O-N 3.42Å; C261-D266 WeakPolarHBondContact CB-O 3.45Å; C261-D266 PolarHBondContact N-O 2.88Å; C261-T277 VanDerWaalsContact SG-CA 3.57Å; C261-C278 HydrophobicContact CB-CB 3.99Å; C261-C278 PolarHBondContact SG-N 2.69Å; C261-C278 VanDerWaalsContact SG-N 3.44Å
262	L	96.2	Very high	78.7	Confident	101 Å²	101	75.1 Å²	75.1	53%	0.529	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.3	-178.9	-60.7	177	0	0	0	114.1	L260 L276 V324	L260-L262 PolarHBondContact O-N 3.15Å; L262-L276 HydrophobicContact CD1-CB 4.25Å; L262-L276 HydrophobicContact CG-CB 4.33Å; L262-L276 PolarHBondContact N-O 2.87Å; L262-L276 VanDerWaalsContact N-O 3.11Å; L262-V324 HydrophobicContact CB-CB 4.08Å; L262-V324 HydrophobicContact CB-CG1 3.88Å; L262-V324 WeakPolarHBondContact O-CG1 3.16Å
263	V	97.4	Very high	81.7	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.018	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-46.1	-179.9	-178.7	0	0	0	0	112.3	C261 T277 C281 I305 R317 K320 V324	C261-V263 PolarHBondContact O-N 2.99Å; C261-V263 PolarHBondContact SG-N 3.34Å; V263-T277 HydrophobicContact CG2-CG2 3.91Å; V263-C281 HydrophobicContact CB-CB 4.37Å; V263-C281 HydrophobicContact CG2-CB 4.44Å; V263-I305 HydrophobicContact CG1-CG2 4.15Å; V263-I305 WeakPolarHBondContact O-CG2 3.39Å; V263-R317 HydrophobicContact CG1-CG 4.46Å; V263-K320 HydrophobicContact CG1-CB 4.2Å; V263-K320 HydrophobicContact CG1-CG 3.99Å; V263-V324 HydrophobicContact CG2-CG1 4.38Å; V263-V324 HydrophobicContact CG2-CG2 3.55Å
264	C	97.5	Very high	84.4	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.034	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-0.5	-168.5	68.1	0	0	0	0	115.2	C261 D266 C278 C281 I305 D306 M307 R310	C261-C264 PolarHBondContact O-N 3.48Å; C264-D266 PolarHBondContact O-N 3.27Å; C264-D266 VanDerWaalsContact SG-CB 3.57Å; C264-C278 VanDerWaalsContact SG-SG 3.61Å; C264-C281 VanDerWaalsContact SG-SG 3.66Å; C264-I305 HydrophobicContact CB-CG2 4.1Å; C264-D306 CarbonylContact O-C 3.24Å; C264-D306 VanDerWaalsContact O-C 3.24Å; C264-D306 WeakPolarHBondContact O-CA 3.48Å; C264-M307 PolarHBondContact O-N 3.26Å; C264-R310 HydrophobicContact CB-CB 4.27Å; C264-R310 PolarHBondContact SG-NH1 3.48Å
265	G	95.9	Very high	87.3	Confident	42 Å²	42	67.4 Å²	67.4	43%	0.433	38%	0.377	S	S	.	.	S	Bend	trans	76	-0.9	-180	0	0	0	0	0	116.1	C261	C261-G265 WeakPolarHBondContact O-CA 3.38Å; C261-G265 PolarHBondContact O-N 3.42Å
266	D	96.4	Very high	90.2	Very high	38 Å²	38	63 Å²	63	20%	0.203	34%	0.344	C	S	.	.	S	Bend	trans	-68.8	161.4	173.3	-167.4	2.6	0	0	0	111.6	C261 C264 A268 C278 M307 R310	C261-D266 WeakPolarHBondContact CB-O 3.45Å; C261-D266 PolarHBondContact N-O 2.88Å; C264-D266 PolarHBondContact O-N 3.27Å; C264-D266 VanDerWaalsContact SG-CB 3.57Å; D266-A268 PolarHBondContact O-N 3.23Å; D266-C278 HydrophobicContact CB-CB 4.05Å; D266-M307 HydrophobicContact CB-CG 4.31Å; D266-R310 IonicContact OD2-CZ 2.82Å; D266-R310 VanDerWaalsContact OD2-CZ 3.22Å; D266-R310 IonicContact OD2-NH1 3.42Å; D266-R310 PolarHBondContact OD2-NH1 2.92Å; D266-R310 IonicContact OD2-NH2 3.26Å; D266-R310 PolarHBondContact OD2-NH2 2.58Å
267	K	96.1	Very high	92.7	Very high	127 Å²	127	57.8 Å²	57.8	55%	0.552	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-57.1	123.4	-178	-174.3	165.4	-177.7	155.8	0	111.3	E258 C278	E258-K267 IonicContact OE1-NZ 3.22Å; E258-K267 PolarHBondContact OE1-NZ 3.35Å; K267-C278 WeakPolarHBondContact O-CB 3.37Å
268	A	96.4	Very high	94.6	Very high	18 Å²	18	51.9 Å²	51.9	15%	0.149	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-72.9	136.1	179.2	0	0	0	0	0	110.3	E259 D266 G270 L276	E259-A268 HydrophobicContact CB-CB 4.3Å; E259-A268 WeakPolarHBondContact O-CB 3.45Å; E259-A268 PolarHBondContact O-N 3.38Å; D266-A268 PolarHBondContact O-N 3.23Å; A268-G270 VanDerWaalsContact C-N 3.35Å; A268-L276 HydrophobicContact CB-CD1 3.61Å; A268-L276 HydrophobicContact CB-CD2 4.37Å; A268-L276 HydrophobicContact CB-CG 3.7Å
269	S	94.8	Very high	95.7	Very high	60 Å²	60	51.5 Å²	51.5	42%	0.42	27%	0.27	S	S	.	.			trans	-91.4	-2.6	174.5	43.3	0	0	0	0	112.7	H272 T277 E279	S269-H272 PolarHBondContact OG-NE2 3.17Å; S269-T277 PolarHBondContact N-O 2.78Å; S269-T277 PolarHBondContact OG-O 2.91Å; S269-E279 PolarHBondContact OG-N 3.1Å; S269-E279 PolarHBondContact OG-OE1 3.22Å
270	G	93.4	Very high	96.2	Very high	23 Å²	23	47.4 Å²	47.4	24%	0.237	26%	0.259	C	S	.	.	S	Bend	trans	124.4	-165.7	-171.9	0	0	0	0	0	112.3	A268 T277	A268-G270 VanDerWaalsContact C-N 3.35Å; G270-T277 PolarHBondContact O-N 3.14Å
271	Y	96.2	Very high	96.3	Very high	161 Å²	161	43 Å²	43	63%	0.631	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.6	179.5	-73.3	-96.9	0	0	0	111	L276	Y271-L276 HydrophobicContact CD2-CD1 4.43Å; Y271-L276 HydrophobicContact CE1-CB 4.29Å; Y271-L276 HydrophobicContact CE2-CD1 4.25Å
272	H	96.5	Very high	96.3	Very high	28 Å²	28	45.5 Å²	45.5	13%	0.13	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.4	173.9	-57.6	-67.1	0	0	0	109.4	S269 N274 A275 T277 E279 K282 M326	S269-H272 PolarHBondContact OG-NE2 3.17Å; H272-N274 PolarHBondContact O-N 3.49Å; H272-A275 PolarHBondContact N-O 2.84Å; H272-A275 PolarHBondContact O-N 3.48Å; H272-A275 VanDerWaalsContact O-N 3.14Å; H272-T277 WeakPolarHBondContact CB-OG1 3.44Å; H272-T277 PolarHBondContact CD2-OG1 3.33Å; H272-E279 IonicContact CE1-OE1 2.73Å; H272-E279 PolarHBondContact CE1-OE1 3.09Å; H272-E279 IonicContact NE2-OE1 3.33Å; H272-E279 PolarHBondContact NE2-OE1 3.45Å; H272-K282 HydrophobicContact CB-CB 3.94Å; H272-K282 HydrophobicContact CB-CD 4.41Å; H272-K282 HydrophobicContact CB-CG 3.84Å; H272-K282 VanDerWaalsContact CE1-CE 3.47Å; H272-K282 WeakPolarHBondContact CE1-CE 3.47Å; H272-K282 PolarHBondContact CE1-NZ 3.5Å; H272-K282 WeakPolarHBondContact ND1-CD 3.34Å; H272-K282 VanDerWaalsContact ND1-CE 3.28Å; H272-K282 WeakPolarHBondContact ND1-CE 3.4Å; H272-M326 HydrophobicContact CB-CE 4.15Å; H272-M326 VanDerWaalsContact O-CE 3.31Å; H272-M326 WeakPolarHBondContact O-CE 3.46Å
273	Y	95.4	Very high	96.3	Very high	43 Å²	43	41.2 Å²	41.2	17%	0.169	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	43.8	-177.8	-42.8	-64.2	0	0	0	112.9	A275 K282 F285 R286 M326 R327 L330 V331	Y273-A275 PolarHBondContact O-N 3.36Å; Y273-K282 HydrophobicContact CE2-CG 4.01Å; Y273-F285 HydrophobicContact CD2-CB 4.45Å; Y273-F285 AromaticContact CD2-CD1 3.47Å; Y273-F285 HydrophobicContact CD2-CD1 3.47Å; Y273-F285 VanDerWaalsContact CD2-CD1 3.47Å; Y273-F285 HydrophobicContact CD2-CE1 4.13Å; Y273-F285 HydrophobicContact CD2-CG 4.31Å; Y273-F285 AromaticContact CE2-CD1 3.96Å; Y273-F285 HydrophobicContact CE2-CD1 3.96Å; Y273-F285 AromaticContact CG-CD1 3.96Å; Y273-F285 HydrophobicContact CG-CD1 3.96Å; Y273-F285 HydrophobicContact CG-CE1 4.16Å; Y273-R286 HydrophobicContact CE2-CB 4.4Å; Y273-R286 WeakPolarHBondContact OH-CB 3.34Å; Y273-M326 HydrophobicContact CD2-CE 4.05Å; Y273-M326 WeakPolarHBondContact O-CA 3.14Å; Y273-R327 PolarHBondContact O-N 3.4Å; Y273-L330 HydrophobicContact CD1-CB 3.81Å; Y273-V331 HydrophobicContact CD1-CG2 3.9Å; Y273-V331 HydrophobicContact CE1-CB 4.47Å; Y273-V331 HydrophobicContact CE1-CG2 3.73Å; Y273-V331 HydrophobicContact CE2-CG2 4.44Å; Y273-V331 HydrophobicContact CG-CG2 4.34Å
274	N	93	Very high	96.3	Very high	96 Å²	96	41.4 Å²	41.4	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	17.2	179.5	-164.7	66.7	0	0	0	116.3	H272 R327 L330	H272-N274 PolarHBondContact O-N 3.49Å; N274-R327 HydrophobicContact CB-CB 4.45Å; N274-R327 HydrophobicContact CB-CG 4.17Å; N274-R327 PolarHBondContact ND2-NE 3.33Å; N274-L330 HydrophobicContact CB-CD1 3.97Å
275	A	94.7	Very high	96.3	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.8	171.6	0	0	0	0	0	112.4	H272 Y273 T277 V324 M326	H272-A275 PolarHBondContact N-O 2.84Å; H272-A275 PolarHBondContact O-N 3.48Å; H272-A275 VanDerWaalsContact O-N 3.14Å; Y273-A275 PolarHBondContact O-N 3.36Å; A275-T277 HydrophobicContact CB-CG2 4.11Å; A275-T277 PolarHBondContact O-N 3.02Å; A275-T277 VanDerWaalsContact O-N 3.15Å; A275-T277 PolarHBondContact O-OG1 3.1Å; A275-V324 HydrophobicContact CB-CG2 4.04Å; A275-M326 HydrophobicContact CB-CG 3.71Å
276	L	96.7	Very high	96.2	Very high	20 Å²	20	45.5 Å²	45.5	11%	0.105	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	108.7	174.3	-178.6	69.5	0	0	0	110	E259 L262 A268 Y271	E259-L276 HydrophobicContact CB-CD1 4.37Å; E259-L276 HydrophobicContact CB-CD2 3.99Å; E259-L276 HydrophobicContact CG-CD2 4.49Å; E259-L276 WeakPolarHBondContact OE2-CD1 3.45Å; L262-L276 HydrophobicContact CD1-CB 4.25Å; L262-L276 HydrophobicContact CG-CB 4.33Å; L262-L276 PolarHBondContact N-O 2.87Å; L262-L276 VanDerWaalsContact N-O 3.11Å; A268-L276 HydrophobicContact CB-CD1 3.61Å; A268-L276 HydrophobicContact CB-CD2 4.37Å; A268-L276 HydrophobicContact CB-CG 3.7Å; Y271-L276 HydrophobicContact CD2-CD1 4.43Å; Y271-L276 HydrophobicContact CE1-CB 4.29Å; Y271-L276 HydrophobicContact CE2-CD1 4.25Å
277	T	97.3	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.			trans	-145.4	162.2	-171	56.1	0	0	0	0	114.5	C261 V263 S269 G270 H272 A275 M326	C261-T277 VanDerWaalsContact SG-CA 3.57Å; V263-T277 HydrophobicContact CG2-CG2 3.91Å; S269-T277 PolarHBondContact N-O 2.78Å; S269-T277 PolarHBondContact OG-O 2.91Å; G270-T277 PolarHBondContact O-N 3.14Å; H272-T277 WeakPolarHBondContact CB-OG1 3.44Å; H272-T277 PolarHBondContact CD2-OG1 3.33Å; A275-T277 HydrophobicContact CB-CG2 4.11Å; A275-T277 PolarHBondContact O-N 3.02Å; A275-T277 VanDerWaalsContact O-N 3.15Å; A275-T277 PolarHBondContact O-OG1 3.1Å; T277-M326 HydrophobicContact CG2-CE 3.41Å; T277-M326 VanDerWaalsContact CG2-CE 3.41Å; T277-M326 HydrophobicContact CG2-SD 4.08Å; T277-M326 WeakPolarHBondContact OG1-CE 3.26Å
278	C	98	Very high	96.1	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.02	21%	0.213	C	C	.	.			trans	-83.5	161.5	172.5	67.3	0	0	0	0	111.5	C261 C264 D266 K267 G280 C281 K282 R310	C261-C278 HydrophobicContact CB-CB 3.99Å; C261-C278 PolarHBondContact SG-N 2.69Å; C261-C278 VanDerWaalsContact SG-N 3.44Å; C264-C278 VanDerWaalsContact SG-SG 3.61Å; D266-C278 HydrophobicContact CB-CB 4.05Å; K267-C278 WeakPolarHBondContact O-CB 3.37Å; C278-G280 PolarHBondContact O-N 3.25Å; C278-G280 VanDerWaalsContact O-N 3.14Å; C278-C281 PolarHBondContact O-N 3.11Å; C278-C281 VanDerWaalsContact O-N 3.1Å; C278-K282 PolarHBondContact O-N 3.2Å; C278-K282 VanDerWaalsContact O-N 3.08Å; C278-R310 PolarHBondContact SG-NH1 2.75Å
279	E	97	Very high	95.8	Very high	99 Å²	99	43.6 Å²	43.6	46%	0.463	21%	0.214	S	C	.	.	H	α-helix	trans	-57.3	-31.3	177.5	-73.7	-60.9	131.9	0	0	112.8	S269 H272 K282 G283	S269-E279 PolarHBondContact OG-N 3.1Å; S269-E279 PolarHBondContact OG-OE1 3.22Å; H272-E279 IonicContact CE1-OE1 2.73Å; H272-E279 PolarHBondContact CE1-OE1 3.09Å; H272-E279 IonicContact NE2-OE1 3.33Å; H272-E279 PolarHBondContact NE2-OE1 3.45Å; E279-K282 VanDerWaalsContact CD-NZ 3.26Å; E279-K282 IonicContact OE1-NZ 2.85Å; E279-K282 PolarHBondContact OE1-NZ 3.08Å; E279-K282 VanDerWaalsContact OE2-CD 3.23Å; E279-K282 WeakPolarHBondContact OE2-CD 3.4Å; E279-K282 IonicContact OE2-NZ 3.22Å; E279-K282 PolarHBondContact OE2-NZ 3.3Å; E279-G283 PolarHBondContact O-N 3.4Å
280	G	97.1	Very high	95.5	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-43.5	176.7	0	0	0	0	0	113.4	C278 F284 R317	C278-G280 PolarHBondContact O-N 3.25Å; C278-G280 VanDerWaalsContact O-N 3.14Å; G280-F284 VanDerWaalsContact O-CB 3.32Å; G280-F284 WeakPolarHBondContact O-CB 3.28Å; G280-F284 PolarHBondContact O-N 2.95Å; G280-F284 VanDerWaalsContact O-N 3.15Å; G280-R317 PolarHBondContact O-NH2 2.86Å
281	C	98.2	Very high	95.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-78.2	-37.4	179.7	-71.7	0	0	0	0	112.1	V263 C264 C278 G283 F284 F285 R317	V263-C281 HydrophobicContact CB-CB 4.37Å; V263-C281 HydrophobicContact CG2-CB 4.44Å; C264-C281 VanDerWaalsContact SG-SG 3.66Å; C278-C281 PolarHBondContact O-N 3.11Å; C278-C281 VanDerWaalsContact O-N 3.1Å; C281-G283 PolarHBondContact O-N 2.84Å; C281-F284 PolarHBondContact O-N 3.31Å; C281-F285 WeakPolarHBondContact O-CB 3.49Å; C281-F285 PolarHBondContact O-N 3.44Å; C281-R317 PolarHBondContact SG-NH2 3.31Å; C281-R317 VanDerWaalsContact SG-NH2 3.38Å
282	K	97.3	Very high	94.4	Very high	56 Å²	56	50.6 Å²	50.6	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-53.9	-52.3	169.6	173.7	-159	-168.2	178.3	0	112	H272 Y273 C278 E279 F285 R286	H272-K282 HydrophobicContact CB-CB 3.94Å; H272-K282 HydrophobicContact CB-CD 4.41Å; H272-K282 HydrophobicContact CB-CG 3.84Å; H272-K282 VanDerWaalsContact CE1-CE 3.47Å; H272-K282 WeakPolarHBondContact CE1-CE 3.47Å; H272-K282 PolarHBondContact CE1-NZ 3.5Å; H272-K282 WeakPolarHBondContact ND1-CD 3.34Å; H272-K282 VanDerWaalsContact ND1-CE 3.28Å; H272-K282 WeakPolarHBondContact ND1-CE 3.4Å; Y273-K282 HydrophobicContact CE2-CG 4.01Å; C278-K282 PolarHBondContact O-N 3.2Å; C278-K282 VanDerWaalsContact O-N 3.08Å; E279-K282 VanDerWaalsContact CD-NZ 3.26Å; E279-K282 IonicContact OE1-NZ 2.85Å; E279-K282 PolarHBondContact OE1-NZ 3.08Å; E279-K282 VanDerWaalsContact OE2-CD 3.23Å; E279-K282 WeakPolarHBondContact OE2-CD 3.4Å; E279-K282 IonicContact OE2-NZ 3.22Å; E279-K282 PolarHBondContact OE2-NZ 3.3Å; K282-F285 PolarHBondContact O-N 2.97Å; K282-R286 WeakPolarHBondContact O-CB 3.17Å; K282-R286 PolarHBondContact O-N 3.29Å
283	G	96.4	Very high	93.8	Very high	12 Å²	12	50.1 Å²	50.1	12%	0.124	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-38.3	-179.4	0	0	0	0	0	112.9	E279 C281 R287	E279-G283 PolarHBondContact O-N 3.4Å; C281-G283 PolarHBondContact O-N 2.84Å; G283-R287 WeakPolarHBondContact O-CG 3.31Å; G283-R287 VanDerWaalsContact O-CZ 3.3Å; G283-R287 PolarHBondContact O-N 3.37Å; G283-R287 VanDerWaalsContact O-N 3.14Å; G283-R287 PolarHBondContact O-NH1 3.37Å
284	F	97.9	Very high	93.3	Very high	7 Å²	7	54 Å²	54	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-47.4	175.7	171.6	-100.5	0	0	0	112.2	G280 C281 R287 S288 Y295 Q314 R317 L318	G280-F284 VanDerWaalsContact O-CB 3.32Å; G280-F284 WeakPolarHBondContact O-CB 3.28Å; G280-F284 PolarHBondContact O-N 2.95Å; G280-F284 VanDerWaalsContact O-N 3.15Å; C281-F284 PolarHBondContact O-N 3.31Å; F284-R287 PolarHBondContact O-N 2.94Å; F284-S288 WeakPolarHBondContact O-CB 3.46Å; F284-S288 PolarHBondContact O-N 3.17Å; F284-S288 PolarHBondContact O-OG 3.44Å; F284-Y295 AromaticContact CE2-CE2 3.99Å; F284-Y295 HydrophobicContact CE2-CE2 3.99Å; F284-Y295 HydrophobicContact CZ-CD2 4.4Å; F284-Y295 AromaticContact CZ-CE2 3.8Å; F284-Y295 HydrophobicContact CZ-CE2 3.8Å; F284-Q314 HydrophobicContact CE2-CB 4.08Å; F284-Q314 HydrophobicContact CE2-CG 4.08Å; F284-Q314 HydrophobicContact CZ-CB 4.16Å; F284-Q314 WeakPolarHBondContact CZ-O 3.32Å; F284-R317 HydrophobicContact CD1-CG 3.84Å; F284-R317 HydrophobicContact CE1-CB 3.91Å; F284-R317 HydrophobicContact CE1-CG 3.61Å; F284-R317 HydrophobicContact CZ-CB 4.1Å; F284-R317 HydrophobicContact CZ-CG 4.2Å; F284-L318 HydrophobicContact CE1-CB 3.86Å; F284-L318 HydrophobicContact CE1-CD1 4.28Å; F284-L318 HydrophobicContact CZ-CB 3.99Å
285	F	97.2	Very high	93.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-51.8	178.4	-171.1	-102.3	0	0	0	110.8	Y273 C281 K282 R287 S288 I289 L318 C321 L322 M326 P328 V331	Y273-F285 HydrophobicContact CD2-CB 4.45Å; Y273-F285 AromaticContact CD2-CD1 3.47Å; Y273-F285 HydrophobicContact CD2-CD1 3.47Å; Y273-F285 VanDerWaalsContact CD2-CD1 3.47Å; Y273-F285 HydrophobicContact CD2-CE1 4.13Å; Y273-F285 HydrophobicContact CD2-CG 4.31Å; Y273-F285 AromaticContact CE2-CD1 3.96Å; Y273-F285 HydrophobicContact CE2-CD1 3.96Å; Y273-F285 AromaticContact CG-CD1 3.96Å; Y273-F285 HydrophobicContact CG-CD1 3.96Å; Y273-F285 HydrophobicContact CG-CE1 4.16Å; C281-F285 WeakPolarHBondContact O-CB 3.49Å; C281-F285 PolarHBondContact O-N 3.44Å; K282-F285 PolarHBondContact O-N 2.97Å; F285-R287 PolarHBondContact O-N 3.32Å; F285-S288 PolarHBondContact O-N 2.89Å; F285-I289 HydrophobicContact CD1-CG1 4.08Å; F285-I289 HydrophobicContact CD2-CG1 4.41Å; F285-I289 HydrophobicContact CE1-CG1 3.81Å; F285-I289 HydrophobicContact CE2-CD1 4.18Å; F285-I289 HydrophobicContact CE2-CG1 4.16Å; F285-I289 HydrophobicContact CG-CG1 4.39Å; F285-I289 HydrophobicContact CZ-CD1 4.13Å; F285-I289 HydrophobicContact CZ-CG1 3.85Å; F285-I289 WeakPolarHBondContact O-CG1 3.34Å; F285-I289 PolarHBondContact O-N 3.47Å; F285-L318 HydrophobicContact CD2-CD1 4.03Å; F285-L318 HydrophobicContact CE2-CD1 4.33Å; F285-C321 HydrophobicContact CD2-CB 3.61Å; F285-C321 HydrophobicContact CE2-CB 4.09Å; F285-L322 HydrophobicContact CE2-CD2 3.79Å; F285-L322 HydrophobicContact CE2-CG 4.41Å; F285-L322 HydrophobicContact CZ-CD2 4.16Å; F285-M326 HydrophobicContact CB-SD 3.93Å; F285-M326 HydrophobicContact CD1-CB 4.27Å; F285-M326 HydrophobicContact CD1-SD 4.49Å; F285-M326 HydrophobicContact CD2-CB 3.9Å; F285-M326 HydrophobicContact CD2-SD 4.05Å; F285-M326 HydrophobicContact CE1-CB 4Å; F285-M326 HydrophobicContact CE2-CB 3.61Å; F285-M326 HydrophobicContact CG-CB 4.2Å; F285-M326 HydrophobicContact CG-SD 3.91Å; F285-M326 HydrophobicContact CZ-CB 3.65Å; F285-M326 WeakPolarHBondContact CZ-O 3.45Å; F285-P328 HydrophobicContact CZ-CB 4.16Å; F285-V331 HydrophobicContact CD1-CG2 3.87Å; F285-V331 HydrophobicContact CE1-CG2 3.8Å
286	R	95.1	Very high	92.8	Very high	133 Å²	133	60.7 Å²	60.7	50%	0.502	28%	0.275	S	S	.	.	H	α-helix	trans	-51.3	-53.8	176.7	-170.5	179.2	61.4	131.2	-2	112.4	Y273 K282 S288 I289 T290 V331	Y273-R286 HydrophobicContact CE2-CB 4.4Å; Y273-R286 WeakPolarHBondContact OH-CB 3.34Å; K282-R286 WeakPolarHBondContact O-CB 3.17Å; K282-R286 PolarHBondContact O-N 3.29Å; R286-S288 VanDerWaalsContact C-N 3.27Å; R286-S288 PolarHBondContact O-N 3.26Å; R286-I289 PolarHBondContact O-N 2.98Å; R286-T290 VanDerWaalsContact O-CB 3.31Å; R286-T290 WeakPolarHBondContact O-CB 3.41Å; R286-T290 PolarHBondContact O-N 3.27Å; R286-T290 PolarHBondContact O-OG1 3.41Å; R286-V331 HydrophobicContact CG-CG1 3.97Å
287	R	94.6	Very high	92.6	Very high	110 Å²	110	61.6 Å²	61.6	42%	0.415	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-36.6	-179.5	-73.5	-173.3	-60.7	-90.2	-0.7	112.6	G283 F284 F285 R291	G283-R287 WeakPolarHBondContact O-CG 3.31Å; G283-R287 VanDerWaalsContact O-CZ 3.3Å; G283-R287 PolarHBondContact O-N 3.37Å; G283-R287 VanDerWaalsContact O-N 3.14Å; G283-R287 PolarHBondContact O-NH1 3.37Å; F284-R287 PolarHBondContact O-N 2.94Å; F285-R287 PolarHBondContact O-N 3.32Å; R287-R291 VanDerWaalsContact O-CB 3.28Å; R287-R291 WeakPolarHBondContact O-CB 3.44Å; R287-R291 WeakPolarHBondContact O-CG 3.32Å; R287-R291 PolarHBondContact O-N 3.46Å; R287-R291 VanDerWaalsContact O-N 3.15Å
288	S	94.3	Very high	92.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.8	-42.3	-178.3	-54.5	0	0	0	0	111.3	F284 F285 R286 K292 A293 Y295	F284-S288 WeakPolarHBondContact O-CB 3.46Å; F284-S288 PolarHBondContact O-N 3.17Å; F284-S288 PolarHBondContact O-OG 3.44Å; F285-S288 PolarHBondContact O-N 2.89Å; R286-S288 VanDerWaalsContact C-N 3.27Å; R286-S288 PolarHBondContact O-N 3.26Å; S288-K292 PolarHBondContact O-N 3.28Å; S288-A293 PolarHBondContact O-N 2.96Å; S288-Y295 WeakPolarHBondContact OG-CE2 3.36Å; S288-Y295 PolarHBondContact OG-OH 3.24Å
289	I	91.2	Very high	91.9	Very high	33 Å²	33	74.9 Å²	74.9	17%	0.169	34%	0.337	C	S	.	.	H	α-helix	trans	-71.2	-49.3	177.6	-58.3	-48.1	0	0	0	111.2	F285 R286 R291 K292 P328 V331	F285-I289 HydrophobicContact CD1-CG1 4.08Å; F285-I289 HydrophobicContact CD2-CG1 4.41Å; F285-I289 HydrophobicContact CE1-CG1 3.81Å; F285-I289 HydrophobicContact CE2-CD1 4.18Å; F285-I289 HydrophobicContact CE2-CG1 4.16Å; F285-I289 HydrophobicContact CG-CG1 4.39Å; F285-I289 HydrophobicContact CZ-CD1 4.13Å; F285-I289 HydrophobicContact CZ-CG1 3.85Å; F285-I289 WeakPolarHBondContact O-CG1 3.34Å; F285-I289 PolarHBondContact O-N 3.47Å; R286-I289 PolarHBondContact O-N 2.98Å; I289-R291 VanDerWaalsContact C-N 3.32Å; I289-R291 PolarHBondContact O-N 2.7Å; I289-K292 PolarHBondContact O-N 3.3Å; I289-K292 VanDerWaalsContact O-N 3.08Å; I289-P328 HydrophobicContact CD1-CB 3.77Å; I289-P328 HydrophobicContact CG1-CB 3.94Å; I289-P328 HydrophobicContact CG2-CB 3.93Å; I289-V331 HydrophobicContact CB-CB 4.3Å; I289-V331 HydrophobicContact CB-CG1 4.3Å; I289-V331 HydrophobicContact CB-CG2 4.13Å; I289-V331 HydrophobicContact CG1-CG2 4.25Å; I289-V331 HydrophobicContact CG2-CB 3.99Å; I289-V331 HydrophobicContact CG2-CG1 4.25Å; I289-V331 HydrophobicContact CG2-CG2 4.21Å
290	T	87.1	Confident	91.4	Very high	41 Å²	41	73.1 Å²	73.1	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-40.3	-178.7	-58.2	0	0	0	0	112.6	R286 K292 E334	R286-T290 VanDerWaalsContact O-CB 3.31Å; R286-T290 WeakPolarHBondContact O-CB 3.41Å; R286-T290 PolarHBondContact O-N 3.27Å; R286-T290 PolarHBondContact O-OG1 3.41Å; T290-K292 VanDerWaalsContact C-N 3.32Å; T290-E334 VanDerWaalsContact CG2-CD 3.48Å; T290-E334 HydrophobicContact CG2-CG 3.47Å; T290-E334 VanDerWaalsContact CG2-CG 3.47Å; T290-E334 WeakPolarHBondContact CG2-OE1 3.37Å
291	R	86	Confident	91	Very high	183 Å²	183	72.6 Å²	72.6	69%	0.691	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2.1	179.5	-62.8	178.5	178.2	172.6	-4.6	113.8	R287 I289 A293	R287-R291 VanDerWaalsContact O-CB 3.28Å; R287-R291 WeakPolarHBondContact O-CB 3.44Å; R287-R291 WeakPolarHBondContact O-CG 3.32Å; R287-R291 PolarHBondContact O-N 3.46Å; R287-R291 VanDerWaalsContact O-N 3.15Å; I289-R291 VanDerWaalsContact C-N 3.32Å; I289-R291 PolarHBondContact O-N 2.7Å; R291-A293 PolarHBondContact O-N 3.36Å
292	K	82.4	Confident	90.8	Very high	166 Å²	166	79.3 Å²	79.3	72%	0.722	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	43.9	-170	-58.3	-178.9	179.1	179.7	0	111.8	S288 I289 T290 L294	S288-K292 PolarHBondContact O-N 3.28Å; I289-K292 PolarHBondContact O-N 3.3Å; I289-K292 VanDerWaalsContact O-N 3.08Å; T290-K292 VanDerWaalsContact C-N 3.32Å; K292-L294 PolarHBondContact O-N 2.84Å
293	A	82.7	Confident	90.7	Very high	19 Å²	19	77.9 Å²	77.9	16%	0.157	37%	0.368	C	S	.	.			trans	-69	123.9	-169.6	0	0	0	0	0	111.5	S288 R291 Y295	S288-A293 PolarHBondContact O-N 2.96Å; R291-A293 PolarHBondContact O-N 3.36Å; A293-Y295 HydrophobicContact CB-CE1 4.05Å; A293-Y295 HydrophobicContact CB-CE2 3.96Å
294	L	84.7	Confident	90.6	Very high	124 Å²	124	83.9 Å²	83.9	65%	0.649	40%	0.398	S	S	*	.			trans	-93.8	124	172.7	-61.7	178.4	0	0	0	109.7	Y221 K292	Y221-L294 HydrophobicContact CD2-CD2 3.71Å; Y221-L294 HydrophobicContact CE2-CD2 3.76Å; K292-L294 PolarHBondContact O-N 2.84Å
295	Y	90	Very high	90.5	Very high	65 Å²	65	84.6 Å²	84.6	26%	0.255	40%	0.402	S	S	.	.			trans	-120.2	138.7	177.1	-54.7	-62.3	0	0	0	110	F284 S288 A293 Q314 A315 L318	F284-Y295 AromaticContact CE2-CE2 3.99Å; F284-Y295 HydrophobicContact CE2-CE2 3.99Å; F284-Y295 HydrophobicContact CZ-CD2 4.4Å; F284-Y295 AromaticContact CZ-CE2 3.8Å; F284-Y295 HydrophobicContact CZ-CE2 3.8Å; S288-Y295 WeakPolarHBondContact OG-CE2 3.36Å; S288-Y295 PolarHBondContact OG-OH 3.24Å; A293-Y295 HydrophobicContact CB-CE1 4.05Å; A293-Y295 HydrophobicContact CB-CE2 3.96Å; Y295-Q314 HydrophobicContact CD1-CB 3.51Å; Y295-Q314 HydrophobicContact CD1-CG 4.26Å; Y295-Q314 VanDerWaalsContact CD1-OE1 3.23Å; Y295-Q314 HydrophobicContact CD2-CB 3.82Å; Y295-Q314 HydrophobicContact CE1-CB 3.81Å; Y295-Q314 VanDerWaalsContact CE1-CD 3.47Å; Y295-Q314 HydrophobicContact CE1-CG 4.19Å; Y295-Q314 HydrophobicContact CE2-CB 4.09Å; Y295-Q314 HydrophobicContact CG-CB 3.51Å; Y295-A315 WeakPolarHBondContact O-CB 3.21Å; Y295-L318 HydrophobicContact CD2-CB 4.24Å; Y295-L318 HydrophobicContact CD2-CD2 3.88Å; Y295-L318 HydrophobicContact CE2-CB 4.48Å; Y295-L318 HydrophobicContact CE2-CD2 4.03Å
296	Y	87.4	Confident	90.4	Very high	175 Å²	175	87.6 Å²	87.6	69%	0.686	42%	0.418	S	S	*	.			trans	-108.3	145.1	172.4	59.5	-88.3	0	0	0	110.7	K298	Y296-K298 HydrophobicContact CD2-CG 4.21Å; Y296-K298 HydrophobicContact CE2-CD 4.42Å; Y296-K298 HydrophobicContact CE2-CG 3.91Å
297	C	92	Very high	90.4	Very high	38 Å²	38	84.9 Å²	84.9	26%	0.257	41%	0.412	S	S	.	.			trans	-88.1	127.9	177	-174.1	0	0	0	0	110.6	Y299 G301 C303 C313 A315	C297-Y299 VanDerWaalsContact C-N 3.34Å; C297-Y299 PolarHBondContact SG-N 2.86Å; C297-Y299 VanDerWaalsContact SG-N 3.36Å; C297-G301 VanDerWaalsContact SG-CA 3.59Å; C297-G301 PolarHBondContact SG-N 2.75Å; C297-C303 PolarHBondContact SG-SG 2.76Å; C297-C313 PolarHBondContact SG-SG 3.45Å; C297-A315 HydrophobicContact CB-CB 4.06Å
298	K	90.3	Very high	90.4	Very high	151 Å²	151	88 Å²	88	66%	0.657	43%	0.425	S	S	*	.	S	Bend	trans	-85.4	-4.8	176.1	-59.6	-176.8	-179.2	-175	0	114	Y296	Y296-K298 HydrophobicContact CD2-CG 4.21Å; Y296-K298 HydrophobicContact CE2-CD 4.42Å; Y296-K298 HydrophobicContact CE2-CG 3.91Å
299	Y	90.2	Very high	90.3	Very high	131 Å²	131	92.6 Å²	92.6	51%	0.514	45%	0.447	S	S	.	.	S	Bend	trans	-129	29.6	-166.8	-46.2	-78.2	0	0	0	113	C297 C313	C297-Y299 VanDerWaalsContact C-N 3.34Å; C297-Y299 PolarHBondContact SG-N 2.86Å; C297-Y299 VanDerWaalsContact SG-N 3.36Å; Y299-C313 HydrophobicContact CD2-CB 4.26Å; Y299-C313 HydrophobicContact CE2-CB 4.4Å
300	G	87.2	Confident	90.5	Very high	62 Å²	62	92.3 Å²	92.3	64%	0.639	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	11.5	174.1	0	0	0	0	0	116.5	H302	G300-H302 VanDerWaalsContact C-N 3.3Å; G300-H302 PolarHBondContact O-CD2 3.29Å; G300-H302 VanDerWaalsContact O-CD2 3.27Å; G300-H302 PolarHBondContact O-N 3.5Å
301	G	89.2	Confident	90.8	Very high	19 Å²	19	100 Å²	100	20%	0.196	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-0.7	172	0	0	0	0	0	116	C297 C316 R319	C297-G301 VanDerWaalsContact SG-CA 3.59Å; C297-G301 PolarHBondContact SG-N 2.75Å; G301-C316 VanDerWaalsContact C-SG 3.53Å; G301-C316 PolarHBondContact O-SG 2.96Å; G301-C316 VanDerWaalsContact O-SG 3.41Å; G301-R319 PolarHBondContact O-NH2 3.14Å
302	H	93.1	Very high	91.2	Very high	140 Å²	140	98 Å²	98	65%	0.648	47%	0.465	S	S	*	.			trans	-120.3	32.4	-174.6	62.2	70.9	0	0	0	113.8	G300 D304	G300-H302 VanDerWaalsContact C-N 3.3Å; G300-H302 PolarHBondContact O-CD2 3.29Å; G300-H302 VanDerWaalsContact O-CD2 3.27Å; G300-H302 PolarHBondContact O-N 3.5Å; H302-D304 PolarHBondContact O-N 3.27Å
303	C	95.2	Very high	91.8	Very high	26 Å²	26	90.3 Å²	90.3	18%	0.176	43%	0.432	C	S	.	.			trans	-65.2	133.9	-178.9	-49.7	0	0	0	0	112.4	C297 I305 C313 C316	C297-C303 PolarHBondContact SG-SG 2.76Å; C303-I305 HydrophobicContact CB-CD1 4.48Å; C303-C313 HydrophobicContact CB-CB 4.08Å; C303-C313 VanDerWaalsContact SG-CB 3.58Å; C303-C316 HydrophobicContact CB-CB 3.71Å; C303-C316 PolarHBondContact N-SG 3.15Å
304	D	94.8	Very high	92.4	Very high	139 Å²	139	94.2 Å²	94.2	74%	0.743	45%	0.447	S	S	*	.			trans	-71.3	129.9	170	-66.4	-45	0	0	0	111.2	H302	H302-D304 PolarHBondContact O-N 3.27Å
305	I	95.9	Very high	92.9	Very high	21 Å²	21	89.1 Å²	89.1	11%	0.108	42%	0.423	C	S	.	.			trans	-106.9	101.8	-176.3	-54.2	-58.9	0	0	0	108.8	V263 C264 C303 R310 C316 R317 K320	V263-I305 HydrophobicContact CG1-CG2 4.15Å; V263-I305 WeakPolarHBondContact O-CG2 3.39Å; C264-I305 HydrophobicContact CB-CG2 4.1Å; C303-I305 HydrophobicContact CB-CD1 4.48Å; I305-R310 HydrophobicContact CG2-CB 3.95Å; I305-C316 HydrophobicContact CD1-CB 3.9Å; I305-C316 HydrophobicContact CG1-CB 4.47Å; I305-R317 HydrophobicContact CD1-CB 4.13Å; I305-R317 HydrophobicContact CG2-CG 4.3Å; I305-K320 HydrophobicContact CB-CG 4.4Å; I305-K320 HydrophobicContact CG1-CB 4.17Å; I305-K320 HydrophobicContact CG1-CG 4.43Å
306	D	95.6	Very high	93.2	Very high	63 Å²	63	86.1 Å²	86.1	34%	0.337	41%	0.412	S	S	.	.			trans	-117.7	-176.7	171.9	70.4	37.7	0	0	0	111.5	C264 Y308 M309 R310	C264-D306 CarbonylContact O-C 3.24Å; C264-D306 VanDerWaalsContact O-C 3.24Å; C264-D306 WeakPolarHBondContact O-CA 3.48Å; D306-Y308 PolarHBondContact O-N 2.86Å; D306-Y308 WeakPolarHBondContact OD1-CA 3.4Å; D306-Y308 PolarHBondContact OD1-N 3.26Å; D306-M309 WeakPolarHBondContact OD1-CB 3.08Å; D306-M309 PolarHBondContact OD1-N 3.1Å; D306-M309 WeakPolarHBondContact OD2-CG 3.44Å; D306-R310 WeakPolarHBondContact O-CB 3.42Å; D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 3.44Å
307	M	94.3	Very high	93.7	Very high	76 Å²	76	78.8 Å²	78.8	37%	0.374	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.5	-178.6	-175.9	173.5	65.5	0	0	113.7	C264 D266 R310	C264-M307 PolarHBondContact O-N 3.26Å; D266-M307 HydrophobicContact CB-CG 4.31Å; M307-R310 WeakPolarHBondContact O-CD 3.26Å; M307-R310 WeakPolarHBondContact O-CG 3.28Å; M307-R310 PolarHBondContact O-NE 3.27Å; M307-R310 VanDerWaalsContact O-NE 3.1Å
308	Y	93.8	Very high	93.9	Very high	177 Å²	177	77.8 Å²	77.8	69%	0.694	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-43.9	-175.9	-58.2	-78.3	0	0	0	112.2	D306	D306-Y308 PolarHBondContact O-N 2.86Å; D306-Y308 WeakPolarHBondContact OD1-CA 3.4Å; D306-Y308 PolarHBondContact OD1-N 3.26Å
309	M	92.8	Very high	94.1	Very high	95 Å²	95	75.6 Å²	75.6	47%	0.468	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-80.6	-15.5	-176.3	-64.1	-58	-175.3	0	0	113.4	D306 R311 K312	D306-M309 WeakPolarHBondContact OD1-CB 3.08Å; D306-M309 PolarHBondContact OD1-N 3.1Å; D306-M309 WeakPolarHBondContact OD2-CG 3.44Å; M309-R311 PolarHBondContact O-N 3Å; M309-K312 WeakPolarHBondContact O-CB 3.26Å; M309-K312 PolarHBondContact O-N 3.14Å; M309-K312 HydrophobicContact SD-CG 3.95Å
310	R	94.8	Very high	94.5	Very high	28 Å²	28	73.5 Å²	73.5	11%	0.106	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-56.3	-9.3	175.6	66.7	-174.4	-177.5	173.4	-4.4	115.4	C264 D266 C278 I305 D306 M307 R317	C264-R310 HydrophobicContact CB-CB 4.27Å; C264-R310 PolarHBondContact SG-NH1 3.48Å; D266-R310 IonicContact OD2-CZ 2.82Å; D266-R310 VanDerWaalsContact OD2-CZ 3.22Å; D266-R310 IonicContact OD2-NH1 3.42Å; D266-R310 PolarHBondContact OD2-NH1 2.92Å; D266-R310 IonicContact OD2-NH2 3.26Å; D266-R310 PolarHBondContact OD2-NH2 2.58Å; C278-R310 PolarHBondContact SG-NH1 2.75Å; I305-R310 HydrophobicContact CG2-CB 3.95Å; D306-R310 WeakPolarHBondContact O-CB 3.42Å; D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 3.44Å; M307-R310 WeakPolarHBondContact O-CD 3.26Å; M307-R310 WeakPolarHBondContact O-CG 3.28Å; M307-R310 PolarHBondContact O-NE 3.27Å; M307-R310 VanDerWaalsContact O-NE 3.1Å; R310-R317 VanDerWaalsContact O-CD 3.24Å; R310-R317 WeakPolarHBondContact O-CD 3.19Å; R310-R317 PolarHBondContact O-NH1 3.37Å
311	R	94.7	Very high	94.9	Very high	201 Å²	201	70.5 Å²	70.5	76%	0.758	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-97.4	-14.6	175.2	-61.9	-178.4	-175.8	172.2	1.8	113.5	M309	M309-R311 PolarHBondContact O-N 3Å
312	K	94.4	Very high	95.2	Very high	141 Å²	141	73.5 Å²	73.5	61%	0.613	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-37.7	-173.5	-62.1	-65.2	-174.7	176.9	0	113.1	M309	M309-K312 WeakPolarHBondContact O-CB 3.26Å; M309-K312 PolarHBondContact O-N 3.14Å; M309-K312 HydrophobicContact SD-CG 3.95Å
313	C	95.4	Very high	95.4	Very high	6 Å²	6	71.7 Å²	71.7	4%	0.041	33%	0.332	C	S	.	.			trans	-133.9	105.2	-179.2	-172.9	0	0	0	0	111.7	C297 Y299 C303 A315 C316 R317	C297-C313 PolarHBondContact SG-SG 3.45Å; Y299-C313 HydrophobicContact CD2-CB 4.26Å; Y299-C313 HydrophobicContact CE2-CB 4.4Å; C303-C313 HydrophobicContact CB-CB 4.08Å; C303-C313 VanDerWaalsContact SG-CB 3.58Å; C313-A315 VanDerWaalsContact C-N 3.35Å; C313-C316 HydrophobicContact CB-CB 4.24Å; C313-C316 PolarHBondContact SG-N 3.27Å; C313-C316 VanDerWaalsContact SG-N 3.44Å; C313-R317 WeakPolarHBondContact O-CB 3.18Å; C313-R317 PolarHBondContact O-N 2.91Å; C313-R317 VanDerWaalsContact O-N 3.17Å
314	Q	95.5	Very high	95.3	Very high	100 Å²	100	72.3 Å²	72.3	47%	0.467	33%	0.334	S	S	.	.	H	α-helix	trans	-68.4	-35.2	177.5	-66.2	173	-46.6	0	0	111.8	F284 Y295 R317 L318	F284-Q314 HydrophobicContact CE2-CB 4.08Å; F284-Q314 HydrophobicContact CE2-CG 4.08Å; F284-Q314 HydrophobicContact CZ-CB 4.16Å; F284-Q314 WeakPolarHBondContact CZ-O 3.32Å; Y295-Q314 HydrophobicContact CD1-CB 3.51Å; Y295-Q314 HydrophobicContact CD1-CG 4.26Å; Y295-Q314 VanDerWaalsContact CD1-OE1 3.23Å; Y295-Q314 HydrophobicContact CD2-CB 3.82Å; Y295-Q314 HydrophobicContact CE1-CB 3.81Å; Y295-Q314 VanDerWaalsContact CE1-CD 3.47Å; Y295-Q314 HydrophobicContact CE1-CG 4.19Å; Y295-Q314 HydrophobicContact CE2-CB 4.09Å; Y295-Q314 HydrophobicContact CG-CB 3.51Å; Q314-R317 PolarHBondContact O-N 3.25Å; Q314-L318 WeakPolarHBondContact O-CB 3.49Å; Q314-L318 PolarHBondContact O-N 2.91Å
315	A	94.3	Very high	95.3	Very high	18 Å²	18	67 Å²	67	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-55	178.5	0	0	0	0	0	112	Y295 C297 C313 R317 L318 R319	Y295-A315 WeakPolarHBondContact O-CB 3.21Å; C297-A315 HydrophobicContact CB-CB 4.06Å; C313-A315 VanDerWaalsContact C-N 3.35Å; A315-R317 VanDerWaalsContact C-N 3.29Å; A315-R317 PolarHBondContact O-N 2.94Å; A315-L318 PolarHBondContact O-N 3.4Å; A315-R319 WeakPolarHBondContact O-CB 3.49Å; A315-R319 PolarHBondContact O-N 3.49Å
316	C	96.5	Very high	95.3	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-33	178.1	-65.9	0	0	0	0	112.2	G301 C303 I305 C313 K320	G301-C316 VanDerWaalsContact C-SG 3.53Å; G301-C316 PolarHBondContact O-SG 2.96Å; G301-C316 VanDerWaalsContact O-SG 3.41Å; C303-C316 HydrophobicContact CB-CB 3.71Å; C303-C316 PolarHBondContact N-SG 3.15Å; I305-C316 HydrophobicContact CD1-CB 3.9Å; I305-C316 HydrophobicContact CG1-CB 4.47Å; C313-C316 HydrophobicContact CB-CB 4.24Å; C313-C316 PolarHBondContact SG-N 3.27Å; C313-C316 VanDerWaalsContact SG-N 3.44Å; C316-K320 VanDerWaalsContact O-CB 3.32Å; C316-K320 WeakPolarHBondContact O-CB 3.45Å; C316-K320 PolarHBondContact O-N 3.06Å
317	R	97.8	Very high	95	Very high	20 Å²	20	68.6 Å²	68.6	8%	0.075	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-45.4	174.6	-172.5	-177	-170.5	168.8	-5.8	112.4	V263 G280 C281 F284 I305 R310 C313 Q314 A315 R319 K320 C321	V263-R317 HydrophobicContact CG1-CG 4.46Å; G280-R317 PolarHBondContact O-NH2 2.86Å; C281-R317 PolarHBondContact SG-NH2 3.31Å; C281-R317 VanDerWaalsContact SG-NH2 3.38Å; F284-R317 HydrophobicContact CD1-CG 3.84Å; F284-R317 HydrophobicContact CE1-CB 3.91Å; F284-R317 HydrophobicContact CE1-CG 3.61Å; F284-R317 HydrophobicContact CZ-CB 4.1Å; F284-R317 HydrophobicContact CZ-CG 4.2Å; I305-R317 HydrophobicContact CD1-CB 4.13Å; I305-R317 HydrophobicContact CG2-CG 4.3Å; R310-R317 VanDerWaalsContact O-CD 3.24Å; R310-R317 WeakPolarHBondContact O-CD 3.19Å; R310-R317 PolarHBondContact O-NH1 3.37Å; C313-R317 WeakPolarHBondContact O-CB 3.18Å; C313-R317 PolarHBondContact O-N 2.91Å; C313-R317 VanDerWaalsContact O-N 3.17Å; Q314-R317 PolarHBondContact O-N 3.25Å; A315-R317 VanDerWaalsContact C-N 3.29Å; A315-R317 PolarHBondContact O-N 2.94Å; R317-R319 VanDerWaalsContact C-N 3.34Å; R317-K320 PolarHBondContact O-N 3.14Å; R317-C321 PolarHBondContact O-N 3.02Å; R317-C321 PolarHBondContact O-SG 3.19Å; R317-C321 VanDerWaalsContact O-SG 3.37Å
318	L	96.6	Very high	94.8	Very high	18 Å²	18	67 Å²	67	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-42	178.4	-177.3	61.1	0	0	0	110.7	F284 F285 Y295 Q314 A315 K320 C321 L322	F284-L318 HydrophobicContact CE1-CB 3.86Å; F284-L318 HydrophobicContact CE1-CD1 4.28Å; F284-L318 HydrophobicContact CZ-CB 3.99Å; F285-L318 HydrophobicContact CD2-CD1 4.03Å; F285-L318 HydrophobicContact CE2-CD1 4.33Å; Y295-L318 HydrophobicContact CD2-CB 4.24Å; Y295-L318 HydrophobicContact CD2-CD2 3.88Å; Y295-L318 HydrophobicContact CE2-CB 4.48Å; Y295-L318 HydrophobicContact CE2-CD2 4.03Å; Q314-L318 WeakPolarHBondContact O-CB 3.49Å; Q314-L318 PolarHBondContact O-N 2.91Å; A315-L318 PolarHBondContact O-N 3.4Å; L318-K320 PolarHBondContact O-N 3.08Å; L318-C321 WeakPolarHBondContact O-CB 3.39Å; L318-C321 PolarHBondContact O-N 3.04Å; L318-L322 WeakPolarHBondContact O-CG 3.37Å; L318-L322 PolarHBondContact O-N 3.11Å; L318-L322 VanDerWaalsContact O-N 3.11Å
319	R	95	Very high	94.4	Very high	104 Å²	104	60.2 Å²	60.2	39%	0.392	28%	0.283	S	S	.	.	H	α-helix	trans	-57.2	-49.4	172.4	-171.1	173.1	57.2	70.1	-4.6	111.4	G301 A315 R317 C321 L322 D323	G301-R319 PolarHBondContact O-NH2 3.14Å; A315-R319 WeakPolarHBondContact O-CB 3.49Å; A315-R319 PolarHBondContact O-N 3.49Å; R317-R319 VanDerWaalsContact C-N 3.34Å; R319-C321 VanDerWaalsContact C-N 3.3Å; R319-C321 PolarHBondContact O-N 3.27Å; R319-L322 WeakPolarHBondContact O-CB 3.19Å; R319-L322 PolarHBondContact O-N 3Å; R319-D323 IonicContact NH1-OD2 3.73Å; R319-D323 PolarHBondContact NH1-OD2 2.8Å; R319-D323 PolarHBondContact O-N 2.92Å
320	K	96.8	Very high	94.2	Very high	87 Å²	87	59.6 Å²	59.6	38%	0.378	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-37.7	176.2	-166.5	77.3	174.5	-170.1	0	112.7	V263 I305 C316 R317 L318 D323 V324	V263-K320 HydrophobicContact CG1-CB 4.2Å; V263-K320 HydrophobicContact CG1-CG 3.99Å; I305-K320 HydrophobicContact CB-CG 4.4Å; I305-K320 HydrophobicContact CG1-CB 4.17Å; I305-K320 HydrophobicContact CG1-CG 4.43Å; C316-K320 VanDerWaalsContact O-CB 3.32Å; C316-K320 WeakPolarHBondContact O-CB 3.45Å; C316-K320 PolarHBondContact O-N 3.06Å; R317-K320 PolarHBondContact O-N 3.14Å; L318-K320 PolarHBondContact O-N 3.08Å; K320-D323 PolarHBondContact O-N 3.44Å; K320-V324 WeakPolarHBondContact O-CG1 3.46Å; K320-V324 WeakPolarHBondContact O-CG2 3.12Å; K320-V324 PolarHBondContact O-N 3.34Å; K320-V324 VanDerWaalsContact O-N 3.08Å
321	C	97.5	Very high	93.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-45.7	173.4	-73.7	0	0	0	0	111.8	F285 R317 L318 R319 V324 M326	F285-C321 HydrophobicContact CD2-CB 3.61Å; F285-C321 HydrophobicContact CE2-CB 4.09Å; R317-C321 PolarHBondContact O-N 3.02Å; R317-C321 PolarHBondContact O-SG 3.19Å; R317-C321 VanDerWaalsContact O-SG 3.37Å; L318-C321 WeakPolarHBondContact O-CB 3.39Å; L318-C321 PolarHBondContact O-N 3.04Å; R319-C321 VanDerWaalsContact C-N 3.3Å; R319-C321 PolarHBondContact O-N 3.27Å; C321-V324 WeakPolarHBondContact O-CG2 3.43Å; C321-M326 HydrophobicContact CB-CB 4.3Å; C321-M326 HydrophobicContact CB-CG 4.33Å; C321-M326 HydrophobicContact CB-SD 3.78Å; C321-M326 WeakPolarHBondContact O-CB 3.47Å; C321-M326 WeakPolarHBondContact O-CG 3.4Å; C321-M326 PolarHBondContact O-N 2.73Å
322	L	95.3	Very high	93.2	Very high	82 Å²	82	53.9 Å²	53.9	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-67.2	-41.7	177.2	-62.9	169.5	0	0	0	111.2	F285 L318 R319 V324 G325	F285-L322 HydrophobicContact CE2-CD2 3.79Å; F285-L322 HydrophobicContact CE2-CG 4.41Å; F285-L322 HydrophobicContact CZ-CD2 4.16Å; L318-L322 WeakPolarHBondContact O-CG 3.37Å; L318-L322 PolarHBondContact O-N 3.11Å; L318-L322 VanDerWaalsContact O-N 3.11Å; R319-L322 WeakPolarHBondContact O-CB 3.19Å; R319-L322 PolarHBondContact O-N 3Å; L322-V324 VanDerWaalsContact C-N 3.3Å; L322-V324 PolarHBondContact O-N 2.94Å; L322-G325 PolarHBondContact O-N 3.46Å
323	D	95.8	Very high	92.2	Very high	102 Å²	102	50.6 Å²	50.6	55%	0.545	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-34.5	-179.4	-64.5	-18.9	0	0	0	112.6	R319 K320 G325	R319-D323 IonicContact NH1-OD2 3.73Å; R319-D323 PolarHBondContact NH1-OD2 2.8Å; R319-D323 PolarHBondContact O-N 2.92Å; K320-D323 PolarHBondContact O-N 3.44Å; D323-G325 PolarHBondContact O-N 2.92Å
324	V	94.1	Very high	91.1	Very high	38 Å²	38	56.8 Å²	56.8	23%	0.23	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.6	175.8	-57.5	0	0	0	0	113.5	L262 V263 A275 K320 C321 L322 M326	L262-V324 HydrophobicContact CB-CB 4.08Å; L262-V324 HydrophobicContact CB-CG1 3.88Å; L262-V324 WeakPolarHBondContact O-CG1 3.16Å; V263-V324 HydrophobicContact CG2-CG1 4.38Å; V263-V324 HydrophobicContact CG2-CG2 3.55Å; A275-V324 HydrophobicContact CB-CG2 4.04Å; K320-V324 WeakPolarHBondContact O-CG1 3.46Å; K320-V324 WeakPolarHBondContact O-CG2 3.12Å; K320-V324 PolarHBondContact O-N 3.34Å; K320-V324 VanDerWaalsContact O-N 3.08Å; C321-V324 WeakPolarHBondContact O-CG2 3.43Å; L322-V324 VanDerWaalsContact C-N 3.3Å; L322-V324 PolarHBondContact O-N 2.94Å; V324-M326 HydrophobicContact CG2-CG 4.24Å
325	G	93.7	Very high	89.9	Confident	28 Å²	28	56.4 Å²	56.4	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	22.5	178.1	0	0	0	0	0	115.5	L322 D323 R327	L322-G325 PolarHBondContact O-N 3.46Å; D323-G325 PolarHBondContact O-N 2.92Å; G325-R327 PolarHBondContact O-N 3.2Å
326	M	96.3	Very high	88.6	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.02	31%	0.306	C	S	.	.			trans	-68.5	125.4	167.6	-68.2	-170.5	125	0	0	110.5	H272 Y273 A275 T277 F285 C321 V324	H272-M326 HydrophobicContact CB-CE 4.15Å; H272-M326 VanDerWaalsContact O-CE 3.31Å; H272-M326 WeakPolarHBondContact O-CE 3.46Å; Y273-M326 HydrophobicContact CD2-CE 4.05Å; Y273-M326 WeakPolarHBondContact O-CA 3.14Å; A275-M326 HydrophobicContact CB-CG 3.71Å; T277-M326 HydrophobicContact CG2-CE 3.41Å; T277-M326 VanDerWaalsContact CG2-CE 3.41Å; T277-M326 HydrophobicContact CG2-SD 4.08Å; T277-M326 WeakPolarHBondContact OG1-CE 3.26Å; F285-M326 HydrophobicContact CB-SD 3.93Å; F285-M326 HydrophobicContact CD1-CB 4.27Å; F285-M326 HydrophobicContact CD1-SD 4.49Å; F285-M326 HydrophobicContact CD2-CB 3.9Å; F285-M326 HydrophobicContact CD2-SD 4.05Å; F285-M326 HydrophobicContact CE1-CB 4Å; F285-M326 HydrophobicContact CE2-CB 3.61Å; F285-M326 HydrophobicContact CG-CB 4.2Å; F285-M326 HydrophobicContact CG-SD 3.91Å; F285-M326 HydrophobicContact CZ-CB 3.65Å; F285-M326 WeakPolarHBondContact CZ-O 3.45Å; C321-M326 HydrophobicContact CB-CB 4.3Å; C321-M326 HydrophobicContact CB-CG 4.33Å; C321-M326 HydrophobicContact CB-SD 3.78Å; C321-M326 WeakPolarHBondContact O-CB 3.47Å; C321-M326 WeakPolarHBondContact O-CG 3.4Å; C321-M326 PolarHBondContact O-N 2.73Å; V324-M326 HydrophobicContact CG2-CG 4.24Å
327	R	90.2	Very high	87.4	Confident	114 Å²	114	63.2 Å²	63.2	43%	0.43	32%	0.319	S	S	.	.			trans	-99.1	109.3	-169.2	-84.8	-178.1	-179.3	-100.5	7	111.7	Y273 N274 G325 E329 L330	Y273-R327 PolarHBondContact O-N 3.4Å; N274-R327 HydrophobicContact CB-CB 4.45Å; N274-R327 HydrophobicContact CB-CG 4.17Å; N274-R327 PolarHBondContact ND2-NE 3.33Å; G325-R327 PolarHBondContact O-N 3.2Å; R327-E329 VanDerWaalsContact CA-OE2 3.26Å; R327-E329 WeakPolarHBondContact CA-OE2 3.41Å; R327-E329 HydrophobicContact CB-CG 4.05Å; R327-E329 VanDerWaalsContact CB-OE1 3.29Å; R327-E329 WeakPolarHBondContact CB-OE1 3.44Å; R327-E329 VanDerWaalsContact CB-OE2 3.28Å; R327-E329 WeakPolarHBondContact CB-OE2 3.25Å; R327-E329 WeakPolarHBondContact CD-OE1 3.25Å; R327-E329 WeakPolarHBondContact CG-OE1 3.15Å; R327-E329 IonicContact CZ-OE1 3.5Å; R327-E329 IonicContact NE-OE1 2.59Å; R327-E329 IonicContact NH1-OE1 3.61Å; R327-E329 PolarHBondContact NH1-OE1 2.93Å; R327-E329 PolarHBondContact O-N 3.42Å; R327-L330 HydrophobicContact CB-CD1 3.88Å; R327-L330 HydrophobicContact CB-CG 3.9Å; R327-L330 PolarHBondContact O-N 3.48Å; R327-L330 VanDerWaalsContact O-N 3.14Å
328	P	89.9	Confident	86.4	Confident	43 Å²	43	68.5 Å²	68.5	28%	0.279	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61	-28.1	-178.5	25.2	-34.6	0	0	0	113.2	F285 I289 L330 V331	F285-P328 HydrophobicContact CZ-CB 4.16Å; I289-P328 HydrophobicContact CD1-CB 3.77Å; I289-P328 HydrophobicContact CG1-CB 3.94Å; I289-P328 HydrophobicContact CG2-CB 3.93Å; P328-L330 PolarHBondContact O-N 3.36Å; P328-V331 WeakPolarHBondContact O-CB 3.48Å; P328-V331 PolarHBondContact O-N 3.08Å; P328-V331 VanDerWaalsContact O-N 3.09Å
329	E	84.7	Confident	85.3	Confident	33 Å²	33	72 Å²	72	15%	0.154	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-60.2	-26	175.5	64	-92	-143.7	0	0	114.5	R327 V331 V377 Y378	R327-E329 VanDerWaalsContact CA-OE2 3.26Å; R327-E329 WeakPolarHBondContact CA-OE2 3.41Å; R327-E329 HydrophobicContact CB-CG 4.05Å; R327-E329 VanDerWaalsContact CB-OE1 3.29Å; R327-E329 WeakPolarHBondContact CB-OE1 3.44Å; R327-E329 VanDerWaalsContact CB-OE2 3.28Å; R327-E329 WeakPolarHBondContact CB-OE2 3.25Å; R327-E329 WeakPolarHBondContact CD-OE1 3.25Å; R327-E329 WeakPolarHBondContact CG-OE1 3.15Å; R327-E329 IonicContact CZ-OE1 3.5Å; R327-E329 IonicContact NE-OE1 2.59Å; R327-E329 IonicContact NH1-OE1 3.61Å; R327-E329 PolarHBondContact NH1-OE1 2.93Å; R327-E329 PolarHBondContact O-N 3.42Å; E329-V331 PolarHBondContact O-N 3.34Å; E329-V377 HydrophobicContact CB-CB 3.53Å; E329-V377 HydrophobicContact CB-CG1 3.48Å; E329-V377 VanDerWaalsContact CB-CG1 3.48Å; E329-V377 HydrophobicContact CB-CG2 3.71Å; E329-Y378 HydrophobicContact CB-CE2 3.57Å; E329-Y378 HydrophobicContact CG-CD2 4.44Å; E329-Y378 HydrophobicContact CG-CE2 3.47Å; E329-Y378 VanDerWaalsContact CG-CE2 3.47Å; E329-Y378 WeakPolarHBondContact OE1-CE2 3.39Å; E329-Y378 PolarHBondContact OE2-OH 3.46Å
330	L	88.5	Confident	84.4	Confident	83 Å²	83	73.5 Å²	73.5	44%	0.435	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-84.3	-2	-179.2	-61.6	-177.7	0	0	0	111.5	Y273 N274 R327 P328	Y273-L330 HydrophobicContact CD1-CB 3.81Å; N274-L330 HydrophobicContact CB-CD1 3.97Å; R327-L330 HydrophobicContact CB-CD1 3.88Å; R327-L330 HydrophobicContact CB-CG 3.9Å; R327-L330 PolarHBondContact O-N 3.48Å; R327-L330 VanDerWaalsContact O-N 3.14Å; P328-L330 PolarHBondContact O-N 3.36Å
331	V	88.2	Confident	83.5	Confident	11 Å²	11	78.7 Å²	78.7	7%	0.067	38%	0.384	C	S	.	.	S	Bend	trans	-88	109.1	174.5	-178.7	0	0	0	0	108.9	Y273 F285 R286 I289 P328 E329 P333	Y273-V331 HydrophobicContact CD1-CG2 3.9Å; Y273-V331 HydrophobicContact CE1-CB 4.47Å; Y273-V331 HydrophobicContact CE1-CG2 3.73Å; Y273-V331 HydrophobicContact CE2-CG2 4.44Å; Y273-V331 HydrophobicContact CG-CG2 4.34Å; F285-V331 HydrophobicContact CD1-CG2 3.87Å; F285-V331 HydrophobicContact CE1-CG2 3.8Å; R286-V331 HydrophobicContact CG-CG1 3.97Å; I289-V331 HydrophobicContact CB-CB 4.3Å; I289-V331 HydrophobicContact CB-CG1 4.3Å; I289-V331 HydrophobicContact CB-CG2 4.13Å; I289-V331 HydrophobicContact CG1-CG2 4.25Å; I289-V331 HydrophobicContact CG2-CB 3.99Å; I289-V331 HydrophobicContact CG2-CG1 4.25Å; I289-V331 HydrophobicContact CG2-CG2 4.21Å; P328-V331 WeakPolarHBondContact O-CB 3.48Å; P328-V331 PolarHBondContact O-N 3.08Å; P328-V331 VanDerWaalsContact O-N 3.09Å; E329-V331 PolarHBondContact O-N 3.34Å; V331-P333 WeakPolarHBondContact O-CD 3.32Å
332	I	80.6	Confident	82.5	Confident	97 Å²	97	83.1 Å²	83.1	50%	0.497	41%	0.405	S	S	.	.			trans	-62.7	124.4	179.3	-57.6	173.3	0	0	0	109.8	Q336	I332-Q336 HydrophobicContact CG2-CB 3.65Å
333	P	74.2	Confident	81.2	Confident	73 Å²	73	82 Å²	82	47%	0.474	40%	0.404	S	S	.	.			trans	-58.1	149.6	175	-25.3	35	0	0	0	112.6	V331 E335 Q336 C337	V331-P333 WeakPolarHBondContact O-CD 3.32Å; P333-E335 PolarHBondContact O-N 3.21Å; P333-E335 VanDerWaalsContact O-N 3.16Å; P333-Q336 PolarHBondContact O-N 2.73Å; P333-C337 PolarHBondContact O-N 2.88Å
334	E	71.7	Confident	79.9	Confident	136 Å²	136	83.7 Å²	83.7	64%	0.636	41%	0.406	S	S	*	.	H	α-helix	trans	-56.6	-33.4	-179.1	-85.5	177.1	-174.8	0	0	112.6	T290 C337 R338	T290-E334 VanDerWaalsContact CG2-CD 3.48Å; T290-E334 HydrophobicContact CG2-CG 3.47Å; T290-E334 VanDerWaalsContact CG2-CG 3.47Å; T290-E334 WeakPolarHBondContact CG2-OE1 3.37Å; E334-C337 CarbonylContact O-C 3.58Å; E334-C337 WeakPolarHBondContact O-CB 3.08Å; E334-C337 PolarHBondContact O-N 3.07Å; E334-C337 VanDerWaalsContact O-N 3.15Å; E334-R338 PolarHBondContact O-N 3.08Å
335	E	71	Confident	78.3	Confident	91 Å²	91	83.8 Å²	83.8	43%	0.425	42%	0.415	S	S	.	.	H	α-helix	trans	-62.4	-44.8	179.1	-168.9	52.8	-142	0	0	112.7	P333 C337 R338 I339	P333-E335 PolarHBondContact O-N 3.21Å; P333-E335 VanDerWaalsContact O-N 3.16Å; E335-C337 VanDerWaalsContact C-N 3.3Å; E335-C337 PolarHBondContact O-N 2.98Å; E335-R338 VanDerWaalsContact CD-NH2 3.33Å; E335-R338 WeakPolarHBondContact O-CB 3.3Å; E335-R338 PolarHBondContact O-N 3.4Å; E335-R338 VanDerWaalsContact O-N 3.13Å; E335-R338 IonicContact OE1-CZ 3.47Å; E335-R338 IonicContact OE1-NE 3.27Å; E335-R338 PolarHBondContact OE1-NE 3.44Å; E335-R338 IonicContact OE1-NH2 3.23Å; E335-R338 PolarHBondContact OE1-NH2 2.9Å; E335-R338 IonicContact OE2-CZ 3.91Å; E335-R338 IonicContact OE2-NE 2.7Å; E335-R338 PolarHBondContact OE2-NE 2.92Å; E335-R338 IonicContact OE2-NH2 3.37Å; E335-R338 PolarHBondContact OE2-NH2 2.93Å; E335-I339 HydrophobicContact CG-CD1 4.26Å; E335-I339 WeakPolarHBondContact O-CG1 3.32Å; E335-I339 PolarHBondContact O-N 2.88Å
336	Q	66.7	Low	76.7	Confident	118 Å²	118	90 Å²	90	55%	0.551	43%	0.434	S	S	*	.	H	α-helix	trans	-67	-33.9	175	-73.1	-173.2	5.3	0	0	112	I332 P333 R338 K340	I332-Q336 HydrophobicContact CG2-CB 3.65Å; P333-Q336 PolarHBondContact O-N 2.73Å; Q336-R338 VanDerWaalsContact C-N 3.31Å; Q336-K340 WeakPolarHBondContact O-CB 3.35Å; Q336-K340 PolarHBondContact O-N 3.35Å
337	C	70.6	Confident	74.9	Confident	45 Å²	45	95.9 Å²	95.9	30%	0.304	47%	0.465	S	S	.	.	H	α-helix	trans	-65	-37.2	173.2	-66.7	0	0	0	0	111.5	P333 E334 E335 R341	P333-C337 PolarHBondContact O-N 2.88Å; E334-C337 CarbonylContact O-C 3.58Å; E334-C337 WeakPolarHBondContact O-CB 3.08Å; E334-C337 PolarHBondContact O-N 3.07Å; E334-C337 VanDerWaalsContact O-N 3.15Å; E335-C337 VanDerWaalsContact C-N 3.3Å; E335-C337 PolarHBondContact O-N 2.98Å; C337-R341 WeakPolarHBondContact O-CG 3.46Å; C337-R341 PolarHBondContact O-N 2.96Å; C337-R341 VanDerWaalsContact O-N 3.12Å
338	R	76.5	Confident	73.2	Confident	131 Å²	131	98 Å²	98	49%	0.494	48%	0.477	S	S	.	.	H	α-helix	trans	-66.1	-52.2	176.3	-174.5	176.1	72.6	148.5	3.6	111.2	E334 E335 Q336 K340 R341 E342	E334-R338 PolarHBondContact O-N 3.08Å; E335-R338 VanDerWaalsContact CD-NH2 3.33Å; E335-R338 WeakPolarHBondContact O-CB 3.3Å; E335-R338 PolarHBondContact O-N 3.4Å; E335-R338 VanDerWaalsContact O-N 3.13Å; E335-R338 IonicContact OE1-CZ 3.47Å; E335-R338 IonicContact OE1-NE 3.27Å; E335-R338 PolarHBondContact OE1-NE 3.44Å; E335-R338 IonicContact OE1-NH2 3.23Å; E335-R338 PolarHBondContact OE1-NH2 2.9Å; E335-R338 IonicContact OE2-CZ 3.91Å; E335-R338 IonicContact OE2-NE 2.7Å; E335-R338 PolarHBondContact OE2-NE 2.92Å; E335-R338 IonicContact OE2-NH2 3.37Å; E335-R338 PolarHBondContact OE2-NH2 2.93Å; Q336-R338 VanDerWaalsContact C-N 3.31Å; R338-K340 PolarHBondContact O-N 2.73Å; R338-R341 WeakPolarHBondContact O-CA 3.46Å; R338-R341 WeakPolarHBondContact O-CB 3.38Å; R338-R341 PolarHBondContact O-N 3.11Å; R338-E342 HydrophobicContact CG-CG 4.39Å; R338-E342 VanDerWaalsContact CG-OE1 3.26Å; R338-E342 WeakPolarHBondContact CG-OE1 3.08Å; R338-E342 IonicContact NE-OE1 3.6Å; R338-E342 WeakPolarHBondContact O-CG 3.13Å; R338-E342 PolarHBondContact O-N 3.45Å
339	I	74.2	Confident	71.3	Confident	93 Å²	93	99.2 Å²	99.2	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-55.9	-40.3	177.2	-63.8	164.2	0	0	0	111.2	E335 R341 E342 S343	E335-I339 HydrophobicContact CG-CD1 4.26Å; E335-I339 WeakPolarHBondContact O-CG1 3.32Å; E335-I339 PolarHBondContact O-N 2.88Å; I339-R341 PolarHBondContact O-N 2.83Å; I339-E342 PolarHBondContact O-N 3.32Å; I339-S343 WeakPolarHBondContact O-CB 3.06Å; I339-S343 PolarHBondContact O-N 2.95Å; I339-S343 PolarHBondContact O-OG 3.41Å
340	K	75.3	Confident	69.8	Low	135 Å²	135	101.8 Å²	101.8	59%	0.587	52%	0.519	S	S	*	.	H	α-helix	trans	-69.6	-29.1	177.2	-166.5	169.2	-174.5	169.1	0	113.5	Q336 R338 S343 K344	Q336-K340 WeakPolarHBondContact O-CB 3.35Å; Q336-K340 PolarHBondContact O-N 3.35Å; R338-K340 PolarHBondContact O-N 2.73Å; K340-S343 WeakPolarHBondContact CA-OG 3.29Å; K340-S343 PolarHBondContact O-OG 2.92Å; K340-K344 WeakPolarHBondContact O-CB 3.49Å; K340-K344 WeakPolarHBondContact O-CG 3.31Å; K340-K344 PolarHBondContact O-N 3.25Å
341	R	78.2	Confident	68	Low	195 Å²	195	102.8 Å²	102.8	74%	0.736	53%	0.531	S	S	*	.	H	α-helix	trans	-77.1	-40	173.9	-75.4	175.8	-172.5	166.5	3.9	111.3	C337 R338 I339 K344 G345	C337-R341 WeakPolarHBondContact O-CG 3.46Å; C337-R341 PolarHBondContact O-N 2.96Å; C337-R341 VanDerWaalsContact O-N 3.12Å; R338-R341 WeakPolarHBondContact O-CA 3.46Å; R338-R341 WeakPolarHBondContact O-CB 3.38Å; R338-R341 PolarHBondContact O-N 3.11Å; I339-R341 PolarHBondContact O-N 2.83Å; R341-K344 PolarHBondContact O-N 3.36Å; R341-G345 PolarHBondContact O-N 2.96Å
342	E	76.2	Confident	66	Low	93 Å²	93	109.8 Å²	109.8	44%	0.435	56%	0.561	S	S	.	*	H	α-helix	trans	-67	-41.6	178.5	-70	172.9	179.6	0	0	111.8	R338 I339 G345 K346	R338-E342 HydrophobicContact CG-CG 4.39Å; R338-E342 VanDerWaalsContact CG-OE1 3.26Å; R338-E342 WeakPolarHBondContact CG-OE1 3.08Å; R338-E342 IonicContact NE-OE1 3.6Å; R338-E342 WeakPolarHBondContact O-CG 3.13Å; R338-E342 PolarHBondContact O-N 3.45Å; I339-E342 PolarHBondContact O-N 3.32Å; E342-G345 PolarHBondContact O-N 3.39Å; E342-K346 WeakPolarHBondContact O-CG 3.1Å; E342-K346 PolarHBondContact O-N 2.82Å
343	S	69.1	Low	64.4	Low	60 Å²	60	112.1 Å²	112.1	42%	0.42	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-39	173.5	49.1	0	0	0	0	112.8	I339 K340 N347	I339-S343 WeakPolarHBondContact O-CB 3.06Å; I339-S343 PolarHBondContact O-N 2.95Å; I339-S343 PolarHBondContact O-OG 3.41Å; K340-S343 WeakPolarHBondContact CA-OG 3.29Å; K340-S343 PolarHBondContact O-OG 2.92Å; S343-N347 PolarHBondContact O-N 3.28Å
344	K	68.2	Low	62.9	Low	137 Å²	137	113.1 Å²	113.1	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-72.2	-27.5	172.3	-76.1	-173.6	173.9	-167.4	0	113.6	K340 R341 K348	K340-K344 WeakPolarHBondContact O-CB 3.49Å; K340-K344 WeakPolarHBondContact O-CG 3.31Å; K340-K344 PolarHBondContact O-N 3.25Å; R341-K344 PolarHBondContact O-N 3.36Å; K344-K348 WeakPolarHBondContact O-CB 3.35Å; K344-K348 PolarHBondContact O-N 3.02Å
345	G	60	Low	61.3	Low	39 Å²	39	114.6 Å²	114.6	40%	0.402	60%	0.601	S	S	.	*	H	α-helix	trans	-71.5	-42.6	176.7	0	0	0	0	0	112.4	R341 E342 N347 K348 A349	R341-G345 PolarHBondContact O-N 2.96Å; E342-G345 PolarHBondContact O-N 3.39Å; G345-N347 VanDerWaalsContact C-N 3.35Å; G345-N347 PolarHBondContact O-N 3.44Å; G345-K348 PolarHBondContact O-N 3.35Å; G345-A349 PolarHBondContact O-N 3.38Å; G345-A349 VanDerWaalsContact O-N 3.07Å
346	K	59.6	Low	59.8	Low	160 Å²	160	119.1 Å²	119.1	70%	0.696	62%	0.622	S	S	*	*	H	α-helix	trans	-64.4	-37.4	176.7	-70.6	176.9	179.8	-179.7	0	112.3	E342	E342-K346 WeakPolarHBondContact O-CG 3.1Å; E342-K346 PolarHBondContact O-N 2.82Å
347	N	58.7	Low	58.6	Low	126 Å²	126	119.3 Å²	119.3	67%	0.674	63%	0.631	S	S	*	*	H	α-helix	trans	-77.7	-18.2	176	-71.3	-3.7	0	0	0	114.2	S343 G345	S343-N347 PolarHBondContact O-N 3.28Å; G345-N347 VanDerWaalsContact C-N 3.35Å; G345-N347 PolarHBondContact O-N 3.44Å
348	K	54.7	Low	57	Low	158 Å²	158	123 Å²	123	69%	0.687	65%	0.652	S	S	*	*	H	α-helix	trans	-90	-18.9	173.7	-84.2	-172.9	171.2	-169	0	113.9	K344 G345	K344-K348 WeakPolarHBondContact O-CB 3.35Å; K344-K348 PolarHBondContact O-N 3.02Å; G345-K348 PolarHBondContact O-N 3.35Å
349	A	50.7	Low	55.2	Low	70 Å²	70	124.4 Å²	124.4	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-78.2	-29.6	174.4	0	0	0	0	0	112.5	G345 C351	G345-A349 PolarHBondContact O-N 3.38Å; G345-A349 VanDerWaalsContact O-N 3.07Å; A349-C351 VanDerWaalsContact C-N 3.34Å; A349-C351 PolarHBondContact O-N 3.33Å
350	A	52.4	Low	53.6	Low	87 Å²	87	125.6 Å²	125.6	72%	0.719	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-14.6	177.6	0	0	0	0	0	114.7
351	C	50.2	Low	51.7	Low	104 Å²	104	124.7 Å²	124.7	70%	0.703	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	8.8	179.2	-81.3	0	0	0	0	114.7	A349	A349-C351 VanDerWaalsContact C-N 3.34Å; A349-C351 PolarHBondContact O-N 3.33Å
352	K	48	Very low	49.9	Very low	158 Å²	158	120 Å²	120	69%	0.687	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	18	-175.8	-87.3	-171.9	171.4	-160	0	115.6
353	V	47.2	Very low	47.9	Very low	145 Å²	145	124.2 Å²	124.2	88%	0.879	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	12.4	175	-169.9	0	0	0	0	112.3
354	A	41.7	Very low	46.4	Very low	94 Å²	94	130.1 Å²	130.1	78%	0.777	73%	0.731	S	S	*	*			trans	-138.5	69.9	174.7	0	0	0	0	0	109.6
355	E	38.1	Very low	45	Very low	168 Å²	168	130 Å²	130	79%	0.785	74%	0.741	S	S	*	*			trans	-120.5	93.4	175.6	-169.6	167.8	-154.9	0	0	108
356	E	40.3	Very low	43.8	Very low	186 Å²	186	134.4 Å²	134.4	87%	0.869	76%	0.76	S	S	*	*			trans	-163.3	127.5	150.4	-110.9	166.9	-157.9	0	0	109.7
357	T	40.2	Very low	42.7	Very low	122 Å²	122	131.9 Å²	131.9	75%	0.748	76%	0.763	S	S	*	*			trans	107.1	106	159.8	-28.3	0	0	0	0	118
358	T	37.7	Very low	41.5	Very low	122 Å²	122	132.7 Å²	132.7	75%	0.748	77%	0.772	S	S	*	*			trans	82.5	92.5	143.5	45.6	0	0	0	0	123.2
359	I	38.7	Very low	40.9	Very low	161 Å²	161	133.6 Å²	133.6	83%	0.826	78%	0.779	S	S	*	*				18.9	112.3	122	-48.5	172.9	0	0	0	118.4
360	S	39.8	Very low	40	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	78%	0.783	S	S	*	*				170.2	133.1	121.6	-74.7	0	0	0	0	112.6
361	S	35.5	Very low	39.3	Very low	115 Å²	115	137.9 Å²	137.9	80%	0.804	79%	0.787	S	S	*	*			trans	-88.2	-179.9	172.7	-119.9	0	0	0	0	111
362	P	40.3	Very low	38.5	Very low	98 Å²	98	137.8 Å²	137.8	64%	0.636	79%	0.788	S	S	*	*			cis	-140.5	-173.7	-15.6	39.4	-19.7	0	0	0	114.2
363	Q	34.7	Very low	37.8	Very low	180 Å²	180	136.2 Å²	136.2	84%	0.841	79%	0.794	S	S	*	*			trans	83.4	139.3	152.9	-73.2	172.6	-16.6	0	0	121.4
364	Q	37.6	Very low	37.1	Very low	185 Å²	185	137.3 Å²	137.3	86%	0.864	79%	0.794	S	S	*	*			trans	89.1	111.8	169.2	-61.9	-177.9	-16.3	0	0	117.7
365	V	39.6	Very low	36.7	Very low	134 Å²	134	137.6 Å²	137.6	81%	0.812	79%	0.787	S	S	*	*				-172.7	116.9	120.3	-83.6	0	0	0	0	108.3
366	T	34.4	Very low	36.6	Very low	132 Å²	132	134.1 Å²	134.1	81%	0.81	79%	0.787	S	S	*	*				67.6	120.5	81.2	-28.8	0	0	0	0	114.2
367	S	35.4	Very low	36.8	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	77%	0.767	S	S	*	*			trans	-57.2	138.2	-176.3	-36	0	0	0	0	115.1
368	T	34	Very low	37.4	Very low	142 Å²	142	127.9 Å²	127.9	87%	0.871	75%	0.751	S	S	*	*				175.9	169.7	128.6	15.7	0	0	0	0	110.3
369	E	42.3	Very low	38.7	Very low	178 Å²	178	128 Å²	128	83%	0.832	75%	0.747	S	S	*	*			trans	100.5	94	174.5	-56.6	-177.7	-178.3	0	0	114.6
370	S	32.5	Very low	40.7	Very low	95 Å²	95	121 Å²	121	66%	0.664	71%	0.711	S	S	*	*				70.3	135	73.6	71.5	0	0	0	0	114.2
371	L	37	Very low	43	Very low	151 Å²	151	118.1 Å²	118.1	79%	0.791	69%	0.688	S	S	*	*			trans	92.4	89.8	168.1	-63.7	118.1	0	0	0	119
372	S	33.5	Very low	45.5	Very low	103 Å²	103	116.5 Å²	116.5	72%	0.72	68%	0.675	S	S	*	*				74.3	158.3	117.9	74.1	0	0	0	0	119.6
373	P	33.6	Very low	47.9	Very low	125 Å²	125	118 Å²	118	81%	0.812	67%	0.674	S	S	*	*				-114.5	169.4	-88.9	6.6	16.9	0	0	0	114.1
374	L	31.6	Very low	50.6	Low	168 Å²	168	111.1 Å²	111.1	88%	0.88	64%	0.642	S	S	*	*			trans	-51.9	155.8	-167.9	-65.2	159.9	0	0	0	117.3
375	P	34.8	Very low	53.1	Low	99 Å²	99	107.6 Å²	107.6	64%	0.643	62%	0.62	S	S	*	*			trans	-78.6	137	-172.3	-2.5	21.4	0	0	0	113.4	V377	P375-V377 PolarHBondContact O-N 2.97Å
376	A	35.4	Very low	55.5	Low	95 Å²	95	106.3 Å²	106.3	79%	0.785	61%	0.606	S	S	*	*			trans	-68.3	99.4	172.6	0	0	0	0	0	112.5
377	V	44.7	Very low	58.3	Low	73 Å²	73	100.9 Å²	100.9	44%	0.442	57%	0.572	S	S	.	*	S	Bend	trans	-145	-8.7	167.4	-163.7	0	0	0	0	116.2	E329 P375	E329-V377 HydrophobicContact CB-CB 3.53Å; E329-V377 HydrophobicContact CB-CG1 3.48Å; E329-V377 VanDerWaalsContact CB-CG1 3.48Å; E329-V377 HydrophobicContact CB-CG2 3.71Å; P375-V377 PolarHBondContact O-N 2.97Å
378	Y	52.5	Low	61.1	Low	104 Å²	104	96.6 Å²	96.6	41%	0.408	54%	0.54	S	S	.	.	S	Bend	trans	-145.8	33.5	169.7	-52.5	-82.6	0	0	0	113.8	E329 V565	E329-Y378 HydrophobicContact CB-CE2 3.57Å; E329-Y378 HydrophobicContact CG-CD2 4.44Å; E329-Y378 HydrophobicContact CG-CE2 3.47Å; E329-Y378 VanDerWaalsContact CG-CE2 3.47Å; E329-Y378 WeakPolarHBondContact OE1-CE2 3.39Å; E329-Y378 PolarHBondContact OE2-OH 3.46Å; Y378-V565 WeakPolarHBondContact O-CG2 3.04Å
379	N	64.9	Low	63.7	Low	124 Å²	124	94.8 Å²	94.8	66%	0.663	52%	0.522	S	S	*	.	S	Bend	trans	-118.3	133.9	173.2	-67.8	-42	0	0	0	106.3
380	L	81.2	Confident	66.1	Low	15 Å²	15	91.9 Å²	91.9	8%	0.079	50%	0.503	C	S	.	.			trans	-42.4	143.7	162.6	-73.9	147.8	0	0	0	108.9	Q384 R385 L388 T558 A561 Y562	L380-Q384 HydrophobicContact CB-CB 4.14Å; L380-Q384 HydrophobicContact CD2-CB 3.84Å; L380-R385 HydrophobicContact CB-CG 3.63Å; L380-R385 HydrophobicContact CD1-CG 4.24Å; L380-R385 PolarHBondContact O-NH1 3.05Å; L380-R385 PolarHBondContact O-NH2 3.08Å; L380-L388 HydrophobicContact CD1-CD2 4.27Å; L380-T558 HydrophobicContact CD2-CG2 4.48Å; L380-A561 HydrophobicContact CD2-CB 3.98Å; L380-Y562 HydrophobicContact CD1-CD2 4.21Å
381	T	88.6	Confident	69.1	Low	57 Å²	57	87.4 Å²	87.4	35%	0.35	47%	0.472	S	S	.	.			trans	-62.8	157.5	171.8	79.5	0	0	0	0	109.5	E383 Q384 R385	T381-E383 WeakPolarHBondContact CB-OE2 3.43Å; T381-E383 PolarHBondContact O-N 2.84Å; T381-E383 PolarHBondContact OG1-N 2.92Å; T381-E383 PolarHBondContact OG1-OE2 2.96Å; T381-Q384 HydrophobicContact CG2-CG 4.44Å; T381-Q384 PolarHBondContact O-N 3.17Å; T381-Q384 WeakPolarHBondContact OG1-CG 3.34Å; T381-Q384 PolarHBondContact OG1-N 3.45Å; T381-Q384 VanDerWaalsContact OG1-N 3.11Å; T381-R385 PolarHBondContact O-N 3.49Å
382	P	87.7	Confident	71.8	Confident	82 Å²	82	81 Å²	81	53%	0.532	44%	0.438	S	S	.	.	H	α-helix	trans	-50.9	-38.9	173.6	-25.1	34.3	0	0	0	112.5	R385 E386	P382-R385 PolarHBondContact O-N 3.13Å; P382-E386 PolarHBondContact O-N 2.63Å
383	E	89.8	Confident	74.4	Confident	130 Å²	130	80 Å²	80	61%	0.607	42%	0.424	S	S	*	.	H	α-helix	trans	-68.2	-44.2	179.6	-53.4	70.8	-148.2	0	0	111.2	T381 R385 E386 L387	T381-E383 WeakPolarHBondContact CB-OE2 3.43Å; T381-E383 PolarHBondContact O-N 2.84Å; T381-E383 PolarHBondContact OG1-N 2.92Å; T381-E383 PolarHBondContact OG1-OE2 2.96Å; E383-R385 VanDerWaalsContact C-N 3.33Å; E383-R385 PolarHBondContact O-N 2.66Å; E383-E386 PolarHBondContact O-N 3.08Å; E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 PolarHBondContact O-N 3.36Å
384	Q	92.2	Very high	77.2	Confident	35 Å²	35	74.7 Å²	74.7	16%	0.164	39%	0.39	C	S	.	.	H	α-helix	trans	-63.4	-37.7	175.4	-72.3	176.7	-26.4	0	0	112.3	L380 T381 L388 T558	L380-Q384 HydrophobicContact CB-CB 4.14Å; L380-Q384 HydrophobicContact CD2-CB 3.84Å; T381-Q384 HydrophobicContact CG2-CG 4.44Å; T381-Q384 PolarHBondContact O-N 3.17Å; T381-Q384 WeakPolarHBondContact OG1-CG 3.34Å; T381-Q384 PolarHBondContact OG1-N 3.45Å; T381-Q384 VanDerWaalsContact OG1-N 3.11Å; Q384-L388 VanDerWaalsContact O-CB 3.27Å; Q384-L388 WeakPolarHBondContact O-CB 3.41Å; Q384-L388 PolarHBondContact O-N 2.82Å; Q384-T558 HydrophobicContact CB-CG2 4.15Å; Q384-T558 HydrophobicContact CG-CG2 4.43Å
385	R	89	Confident	80.1	Confident	110 Å²	110	67.1 Å²	67.1	42%	0.415	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-45.2	175.1	-80.2	-168.7	-76.2	-83.2	-12.7	111.8	L380 T381 P382 E383 L388 H389	L380-R385 HydrophobicContact CB-CG 3.63Å; L380-R385 HydrophobicContact CD1-CG 4.24Å; L380-R385 PolarHBondContact O-NH1 3.05Å; L380-R385 PolarHBondContact O-NH2 3.08Å; T381-R385 PolarHBondContact O-N 3.49Å; P382-R385 PolarHBondContact O-N 3.13Å; E383-R385 VanDerWaalsContact C-N 3.33Å; E383-R385 PolarHBondContact O-N 2.66Å; R385-L388 PolarHBondContact O-N 3.36Å; R385-H389 WeakPolarHBondContact O-CB 3.26Å; R385-H389 PolarHBondContact O-N 3.08Å
386	E	90.1	Very high	82.8	Confident	107 Å²	107	67.1 Å²	67.1	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-46.2	178.6	-179.7	55.3	-151.7	0	0	110.9	P382 E383 L388 H389 R390	P382-E386 PolarHBondContact O-N 2.63Å; E383-E386 PolarHBondContact O-N 3.08Å; E386-L388 PolarHBondContact O-N 2.85Å; E386-H389 PolarHBondContact O-N 3.5Å; E386-R390 WeakPolarHBondContact O-CG 3.24Å; E386-R390 PolarHBondContact O-N 2.8Å; E386-R390 WeakPolarHBondContact OE1-CD 3.45Å; E386-R390 VanDerWaalsContact OE1-CG 3.3Å; E386-R390 WeakPolarHBondContact OE1-CG 3.48Å
387	L	94	Very high	85.4	Confident	19 Å²	19	69 Å²	69	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-56.1	-51.3	174.4	178	62.3	0	0	0	111.2	E383 H389 R390 V391 P445 V554 Y555 T558	E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 PolarHBondContact O-N 3.36Å; L387-H389 VanDerWaalsContact C-N 3.33Å; L387-H389 PolarHBondContact O-N 3.31Å; L387-R390 PolarHBondContact O-N 3.06Å; L387-V391 HydrophobicContact CD1-CG2 3.92Å; L387-V391 HydrophobicContact CG-CG2 4.32Å; L387-V391 WeakPolarHBondContact O-CG2 3.48Å; L387-V391 PolarHBondContact O-N 3.04Å; L387-P445 HydrophobicContact CD1-CB 3.83Å; L387-P445 HydrophobicContact CD1-CG 3.79Å; L387-V554 HydrophobicContact CD2-CG1 3.68Å; L387-Y555 HydrophobicContact CD1-CD1 4.48Å; L387-Y555 HydrophobicContact CD1-CE1 3.79Å; L387-Y555 HydrophobicContact CD2-CD1 4.25Å; L387-Y555 HydrophobicContact CD2-CE1 4.34Å; L387-Y555 HydrophobicContact CG-CE1 4.31Å; L387-T558 HydrophobicContact CD2-CG2 4.4Å
388	L	93.2	Very high	87.7	Confident	17 Å²	17	66.6 Å²	66.6	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-46.8	179.5	178.8	66.7	0	0	0	111.6	L380 Q384 R385 E386 V391 I392 A525 L529 Y562	L380-L388 HydrophobicContact CD1-CD2 4.27Å; Q384-L388 VanDerWaalsContact O-CB 3.27Å; Q384-L388 WeakPolarHBondContact O-CB 3.41Å; Q384-L388 PolarHBondContact O-N 2.82Å; R385-L388 PolarHBondContact O-N 3.36Å; E386-L388 PolarHBondContact O-N 2.85Å; L388-V391 PolarHBondContact O-N 3.23Å; L388-I392 HydrophobicContact CD1-CD1 3.9Å; L388-I392 HydrophobicContact CD1-CG1 4.34Å; L388-I392 HydrophobicContact CG-CD1 3.86Å; L388-I392 VanDerWaalsContact O-CG1 3.29Å; L388-I392 WeakPolarHBondContact O-CG1 3.43Å; L388-I392 PolarHBondContact O-N 3.22Å; L388-A525 HydrophobicContact CD1-CB 3.91Å; L388-L529 HydrophobicContact CD1-CD1 3.87Å; L388-L529 HydrophobicContact CD1-CD2 4.41Å; L388-L529 HydrophobicContact CD1-CG 4.05Å; L388-Y562 HydrophobicContact CD2-CD2 3.6Å; L388-Y562 HydrophobicContact CD2-CE2 3.79Å
389	H	89.5	Confident	89.4	Confident	104 Å²	104	63 Å²	63	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-46.8	179.1	-178.6	-111.6	0	0	0	111.6	R385 E386 L387 V391 I392 L393	R385-H389 WeakPolarHBondContact O-CB 3.26Å; R385-H389 PolarHBondContact O-N 3.08Å; E386-H389 PolarHBondContact O-N 3.5Å; L387-H389 VanDerWaalsContact C-N 3.33Å; L387-H389 PolarHBondContact O-N 3.31Å; H389-V391 PolarHBondContact O-N 3.46Å; H389-I392 PolarHBondContact O-N 3.46Å; H389-L393 WeakPolarHBondContact CE1-CD1 3.25Å; H389-L393 WeakPolarHBondContact O-CG 3.47Å; H389-L393 PolarHBondContact O-N 3.22Å
390	R	92.2	Very high	90.7	Very high	117 Å²	117	59.7 Å²	59.7	44%	0.442	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-42.9	177.8	-71.5	-172.9	66.7	-169.4	-0.5	112.6	E386 L387 L393 C394 P445	E386-R390 WeakPolarHBondContact O-CG 3.24Å; E386-R390 PolarHBondContact O-N 2.8Å; E386-R390 WeakPolarHBondContact OE1-CD 3.45Å; E386-R390 VanDerWaalsContact OE1-CG 3.3Å; E386-R390 WeakPolarHBondContact OE1-CG 3.48Å; L387-R390 PolarHBondContact O-N 3.06Å; R390-L393 PolarHBondContact O-N 3.5Å; R390-C394 PolarHBondContact O-N 2.94Å; R390-C394 PolarHBondContact O-SG 3.39Å; R390-P445 HydrophobicContact CB-CG 4.28Å
391	V	95.1	Very high	91.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-39.4	-178.9	179.7	0	0	0	0	110.9	L387 L388 H389 Q395 L444 A528 Y555	L387-V391 HydrophobicContact CD1-CG2 3.92Å; L387-V391 HydrophobicContact CG-CG2 4.32Å; L387-V391 WeakPolarHBondContact O-CG2 3.48Å; L387-V391 PolarHBondContact O-N 3.04Å; L388-V391 PolarHBondContact O-N 3.23Å; H389-V391 PolarHBondContact O-N 3.46Å; V391-Q395 WeakPolarHBondContact O-CB 3.27Å; V391-Q395 PolarHBondContact O-N 2.95Å; V391-L444 HydrophobicContact CG1-CD2 4.13Å; V391-L444 HydrophobicContact CG2-CD2 4.28Å; V391-A528 HydrophobicContact CG1-CB 3.72Å; V391-Y555 HydrophobicContact CG2-CD1 4.47Å; V391-Y555 HydrophobicContact CG2-CE1 3.63Å
392	I	93.7	Very high	91	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.092	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-46	174.3	-69.4	169.7	0	0	0	111	L388 H389 C394 Q395 E396 A525 A528	L388-I392 HydrophobicContact CD1-CD1 3.9Å; L388-I392 HydrophobicContact CD1-CG1 4.34Å; L388-I392 HydrophobicContact CG-CD1 3.86Å; L388-I392 VanDerWaalsContact O-CG1 3.29Å; L388-I392 WeakPolarHBondContact O-CG1 3.43Å; L388-I392 PolarHBondContact O-N 3.22Å; H389-I392 PolarHBondContact O-N 3.46Å; I392-C394 PolarHBondContact O-N 3.45Å; I392-Q395 WeakPolarHBondContact O-CB 3.21Å; I392-Q395 PolarHBondContact O-N 3.18Å; I392-Q395 VanDerWaalsContact O-N 3.14Å; I392-E396 HydrophobicContact CG2-CG 4.39Å; I392-E396 WeakPolarHBondContact CG2-OE1 3.48Å; I392-E396 WeakPolarHBondContact O-CG 3.31Å; I392-E396 PolarHBondContact O-N 3.02Å; I392-A525 HydrophobicContact CD1-CB 4Å; I392-A528 HydrophobicContact CG1-CB 4.3Å
393	L	88.4	Confident	91	Very high	82 Å²	82	58 Å²	58	43%	0.429	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-45.2	177.3	-75	177.2	0	0	0	112.2	H389 R390 Q395 E396 Q397	H389-L393 WeakPolarHBondContact CE1-CD1 3.25Å; H389-L393 WeakPolarHBondContact O-CG 3.47Å; H389-L393 PolarHBondContact O-N 3.22Å; R390-L393 PolarHBondContact O-N 3.5Å; L393-Q395 VanDerWaalsContact C-N 3.29Å; L393-Q395 PolarHBondContact O-N 3.32Å; L393-E396 PolarHBondContact O-N 3.21Å; L393-Q397 WeakPolarHBondContact O-CB 3.32Å; L393-Q397 PolarHBondContact O-N 2.99Å
394	C	92	Very high	90.8	Very high	13 Å²	13	58.5 Å²	58.5	9%	0.088	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-42.7	175.2	-64.4	0	0	0	0	110.8	R390 I392 E396 Q397 F398 F440 H443	R390-C394 PolarHBondContact O-N 2.94Å; R390-C394 PolarHBondContact O-SG 3.39Å; I392-C394 PolarHBondContact O-N 3.45Å; C394-E396 PolarHBondContact O-N 3.29Å; C394-Q397 PolarHBondContact O-N 2.87Å; C394-F398 WeakPolarHBondContact O-CD2 3.27Å; C394-F398 PolarHBondContact O-N 3.16Å; C394-F398 VanDerWaalsContact O-N 3.14Å; C394-F440 HydrophobicContact CB-CD2 4.08Å; C394-F440 HydrophobicContact CB-CE2 4.16Å; C394-H443 HydrophobicContact CB-CB 4.44Å
395	Q	93.8	Very high	90.4	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-41.5	178.6	-176	177.8	-112.7	0	0	112.1	V391 I392 L393 D399 F440 N524 A528	V391-Q395 WeakPolarHBondContact O-CB 3.27Å; V391-Q395 PolarHBondContact O-N 2.95Å; I392-Q395 WeakPolarHBondContact O-CB 3.21Å; I392-Q395 PolarHBondContact O-N 3.18Å; I392-Q395 VanDerWaalsContact O-N 3.14Å; L393-Q395 VanDerWaalsContact C-N 3.29Å; L393-Q395 PolarHBondContact O-N 3.32Å; Q395-D399 WeakPolarHBondContact O-CA 3.33Å; Q395-D399 VanDerWaalsContact O-CB 3.28Å; Q395-D399 WeakPolarHBondContact O-CB 3.38Å; Q395-D399 PolarHBondContact O-N 3.19Å; Q395-D399 VanDerWaalsContact O-N 3.08Å; Q395-F440 HydrophobicContact CB-CD2 4.46Å; Q395-F440 HydrophobicContact CB-CE2 3.91Å; Q395-N524 PolarHBondContact NE2-O 2.91Å; Q395-N524 VanDerWaalsContact NE2-O 3.1Å; Q395-N524 PolarHBondContact NE2-OD1 3.22Å; Q395-A528 HydrophobicContact CB-CB 4.4Å
396	E	90	Very high	90.3	Very high	100 Å²	100	55 Å²	55	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-39.5	177.5	-73.4	174.5	-176.2	0	0	112	I392 L393 C394 F398	I392-E396 HydrophobicContact CG2-CG 4.39Å; I392-E396 WeakPolarHBondContact CG2-OE1 3.48Å; I392-E396 WeakPolarHBondContact O-CG 3.31Å; I392-E396 PolarHBondContact O-N 3.02Å; L393-E396 PolarHBondContact O-N 3.21Å; C394-E396 PolarHBondContact O-N 3.29Å; E396-F398 VanDerWaalsContact C-N 3.35Å; E396-F398 PolarHBondContact O-N 2.99Å
397	Q	90	Very high	90	Very high	133 Å²	133	57.5 Å²	57.5	62%	0.621	28%	0.28	S	S	*	.	H	α-helix	trans	-66.1	-35.7	179.7	-173	174.7	12.8	0	0	112.9	L393 C394	L393-Q397 WeakPolarHBondContact O-CB 3.32Å; L393-Q397 PolarHBondContact O-N 2.99Å; C394-Q397 PolarHBondContact O-N 2.87Å
398	F	92.8	Very high	89.1	Confident	24 Å²	24	62.9 Å²	62.9	11%	0.105	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	27.4	-174.9	-53.3	-65.7	0	0	0	112.5	C394 E396 E439 F440 H443 K470	C394-F398 WeakPolarHBondContact O-CD2 3.27Å; C394-F398 PolarHBondContact O-N 3.16Å; C394-F398 VanDerWaalsContact O-N 3.14Å; E396-F398 VanDerWaalsContact C-N 3.35Å; E396-F398 PolarHBondContact O-N 2.99Å; F398-E439 HydrophobicContact CD1-CB 3.63Å; F398-E439 HydrophobicContact CE1-CB 3.69Å; F398-E439 HydrophobicContact CE1-CG 4.46Å; F398-E439 HydrophobicContact CG-CB 4.09Å; F398-E439 HydrophobicContact CZ-CB 4.2Å; F398-F440 HydrophobicContact CB-CB 3.99Å; F398-F440 HydrophobicContact CD2-CB 4.3Å; F398-F440 HydrophobicContact CG-CB 4.47Å; F398-H443 HydrophobicContact CE2-CB 4.14Å; F398-H443 AromaticContact CE2-CE1 3.93Å; F398-H443 AromaticContact CE2-CG 3.71Å; F398-H443 AromaticContact CE2-ND1 3.51Å; F398-H443 AromaticContact CZ-CE1 3.55Å; F398-H443 AromaticContact CZ-ND1 3.61Å; F398-K470 PolarHBondContact O-NZ 2.71Å
399	D	90.2	Very high	88.5	Confident	28 Å²	28	62.5 Å²	62.5	15%	0.15	31%	0.307	C	S	.	.	S	Bend	trans	-77.3	-52.2	-179.4	-164.7	19.9	0	0	0	112.7	Q395 K470 R473	Q395-D399 WeakPolarHBondContact O-CA 3.33Å; Q395-D399 VanDerWaalsContact O-CB 3.28Å; Q395-D399 WeakPolarHBondContact O-CB 3.38Å; Q395-D399 PolarHBondContact O-N 3.19Å; Q395-D399 VanDerWaalsContact O-N 3.08Å; D399-K470 VanDerWaalsContact CA-NZ 3.33Å; D399-K470 PolarHBondContact O-NZ 3.46Å; D399-K470 IonicContact OD1-NZ 3.84Å; D399-K470 PolarHBondContact OD1-NZ 3.38Å; D399-R473 IonicContact OD1-CZ 3.91Å; D399-R473 IonicContact OD1-NH2 2.96Å; D399-R473 PolarHBondContact OD1-NH2 3.02Å; D399-R473 IonicContact OD2-CZ 3Å; D399-R473 IonicContact OD2-NE 3.56Å; D399-R473 IonicContact OD2-NH2 2.87Å; D399-R473 PolarHBondContact OD2-NH2 3.47Å
400	V	90.2	Very high	88	Confident	54 Å²	54	59 Å²	59	33%	0.327	29%	0.294	S	S	.	.	S	Bend	trans	-120.1	149.8	-169.3	-64	0	0	0	0	111	L436 G485 N486	V400-L436 VanDerWaalsContact C-CD1 3.43Å; V400-G485 WeakPolarHBondContact CG1-O 3.36Å; V400-N486 HydrophobicContact CB-CB 4.02Å; V400-N486 HydrophobicContact CG2-CB 3.95Å
401	P	90.3	Very high	87.2	Confident	4 Å²	4	56 Å²	56	3%	0.026	29%	0.294	C	S	.	.			trans	-63.4	153.3	175.1	-21.3	33.4	0	0	0	112.8	D405 L406 L432 L436 N486	P401-D405 HydrophobicContact CB-CB 4.39Å; P401-L406 HydrophobicContact CB-CD1 4.47Å; P401-L406 HydrophobicContact CB-CD2 3.87Å; P401-L406 HydrophobicContact CB-CG 3.99Å; P401-L406 HydrophobicContact CG-CD2 4.13Å; P401-L432 HydrophobicContact CB-CB 4.34Å; P401-L432 HydrophobicContact CB-CD1 4.14Å; P401-L432 HydrophobicContact CG-CB 4.05Å; P401-L432 HydrophobicContact CG-CD1 4.34Å; P401-L436 HydrophobicContact CB-CD1 4.43Å; P401-L436 HydrophobicContact CG-CD1 4.01Å; P401-N486 PolarHBondContact O-ND2 3.07Å
402	S	87.1	Confident	86	Confident	45 Å²	45	58 Å²	58	32%	0.315	30%	0.304	S	S	.	.			trans	-64.6	159	175.4	73.5	0	0	0	0	111.3	E404 D405 L406	S402-E404 WeakPolarHBondContact CB-OE2 3.29Å; S402-E404 PolarHBondContact O-N 2.9Å; S402-E404 PolarHBondContact OG-OE2 3.05Å; S402-D405 PolarHBondContact O-N 3.43Å; S402-D405 PolarHBondContact OG-N 3.44Å; S402-D405 VanDerWaalsContact OG-N 3.14Å; S402-D405 PolarHBondContact OG-OD2 2.63Å; S402-L406 WeakPolarHBondContact O-CG 3.48Å; S402-L406 PolarHBondContact O-N 3.18Å
403	N	87.6	Confident	84.9	Confident	69 Å²	69	59.5 Å²	59.5	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-33.4	175.9	-75.8	-50.1	0	0	0	111.3	L406 K407 N486 H488	N403-L406 PolarHBondContact O-N 3.37Å; N403-K407 PolarHBondContact O-N 3.36Å; N403-N486 PolarHBondContact OD1-ND2 2.97Å; N403-H488 PolarHBondContact ND2-CD2 2.91Å; N403-H488 PolarHBondContact OD1-CD2 3.41Å
404	E	84.8	Confident	83.6	Confident	141 Å²	141	63 Å²	63	66%	0.659	33%	0.328	S	S	*	.	H	α-helix	trans	-61	-46.9	176.4	-65.2	75.8	-166.7	0	0	111.1	S402 L406 K407	S402-E404 WeakPolarHBondContact CB-OE2 3.29Å; S402-E404 PolarHBondContact O-N 2.9Å; S402-E404 PolarHBondContact OG-OE2 3.05Å; E404-L406 VanDerWaalsContact C-N 3.32Å; E404-L406 PolarHBondContact O-N 3.31Å; E404-K407 PolarHBondContact O-N 2.87Å
405	D	85.3	Confident	82	Confident	72 Å²	72	69.1 Å²	69.1	39%	0.385	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-34.2	179.1	-65.2	-47.1	0	0	0	112.7	P401 S402 L432	P401-D405 HydrophobicContact CB-CB 4.39Å; S402-D405 PolarHBondContact O-N 3.43Å; S402-D405 PolarHBondContact OG-N 3.44Å; S402-D405 VanDerWaalsContact OG-N 3.14Å; S402-D405 PolarHBondContact OG-OD2 2.63Å; D405-L432 HydrophobicContact CB-CD1 3.96Å; D405-L432 HydrophobicContact CB-CD2 3.81Å
406	L	86.9	Confident	79.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-81.7	-22	-178.6	-66	-174.4	0	0	0	113.8	P401 S402 N403 E404 D408 L409 S410 L429 L432 N486 T489 W491	P401-L406 HydrophobicContact CB-CD1 4.47Å; P401-L406 HydrophobicContact CB-CD2 3.87Å; P401-L406 HydrophobicContact CB-CG 3.99Å; P401-L406 HydrophobicContact CG-CD2 4.13Å; S402-L406 WeakPolarHBondContact O-CG 3.48Å; S402-L406 PolarHBondContact O-N 3.18Å; N403-L406 PolarHBondContact O-N 3.37Å; E404-L406 VanDerWaalsContact C-N 3.32Å; E404-L406 PolarHBondContact O-N 3.31Å; L406-D408 PolarHBondContact O-N 2.96Å; L406-L409 HydrophobicContact CD2-CD2 4.37Å; L406-L409 WeakPolarHBondContact O-CB 3.39Å; L406-L409 PolarHBondContact O-N 2.94Å; L406-L409 VanDerWaalsContact O-N 3.12Å; L406-S410 PolarHBondContact O-N 3.44Å; L406-L429 HydrophobicContact CD2-CD2 4.02Å; L406-L432 HydrophobicContact CD2-CD1 4.06Å; L406-N486 HydrophobicContact CD1-CB 3.96Å; L406-N486 VanDerWaalsContact CD1-CG 3.48Å; L406-N486 WeakPolarHBondContact CD1-ND2 3.31Å; L406-T489 WeakPolarHBondContact CD1-O 3.32Å; L406-W491 HydrophobicContact CB-CH2 4.5Å; L406-W491 HydrophobicContact CD2-CH2 4.38Å; L406-W491 HydrophobicContact CD2-CZ3 4.07Å
407	K	82.4	Confident	77.8	Confident	159 Å²	159	73.7 Å²	73.7	69%	0.691	40%	0.403	S	S	*	.	H	α-helix	trans	-61.6	-44.5	-179.2	-173.2	179.3	179.5	-177.6	0	112	N403 E404 L409 S410 A411	N403-K407 PolarHBondContact O-N 3.36Å; E404-K407 PolarHBondContact O-N 2.87Å; K407-L409 PolarHBondContact O-N 3.48Å; K407-S410 PolarHBondContact O-N 2.96Å; K407-A411 PolarHBondContact O-N 3.35Å
408	D	76.7	Confident	76.3	Confident	132 Å²	132	70.1 Å²	70.1	71%	0.706	39%	0.392	S	S	*	.	H	α-helix	trans	-62.4	-32.4	176.7	-70.2	-12.5	0	0	0	111.4	L406 M412	L406-D408 PolarHBondContact O-N 2.96Å; D408-M412 PolarHBondContact O-N 3.11Å
409	L	80.2	Confident	74.6	Confident	9 Å²	9	77.1 Å²	77.1	5%	0.047	42%	0.418	C	S	.	.	H	α-helix	trans	-78.8	-37.7	-177.9	-157.9	63.1	0	0	0	112.8	L406 K407 A411 M412 V413 H425 E428 L429 W491	L406-L409 HydrophobicContact CD2-CD2 4.37Å; L406-L409 WeakPolarHBondContact O-CB 3.39Å; L406-L409 PolarHBondContact O-N 2.94Å; L406-L409 VanDerWaalsContact O-N 3.12Å; K407-L409 PolarHBondContact O-N 3.48Å; L409-A411 VanDerWaalsContact C-N 3.29Å; L409-A411 PolarHBondContact O-N 3.36Å; L409-M412 HydrophobicContact CD1-CE 3.54Å; L409-M412 HydrophobicContact CD1-SD 4.41Å; L409-M412 WeakPolarHBondContact O-CB 3.3Å; L409-M412 PolarHBondContact O-N 3.39Å; L409-M412 VanDerWaalsContact O-N 3.14Å; L409-V413 PolarHBondContact O-N 2.84Å; L409-H425 VanDerWaalsContact CD2-CD2 3.45Å; L409-H425 WeakPolarHBondContact CD2-CD2 3.3Å; L409-H425 VanDerWaalsContact CG-CD2 3.43Å; L409-H425 WeakPolarHBondContact CG-CD2 3.25Å; L409-E428 HydrophobicContact CD1-CB 3.43Å; L409-E428 VanDerWaalsContact CD1-CB 3.43Å; L409-E428 HydrophobicContact CD1-CG 4.01Å; L409-E428 HydrophobicContact CD2-CB 4.5Å; L409-L429 HydrophobicContact CD2-CD2 3.53Å; L409-L429 HydrophobicContact CD2-CG 3.59Å; L409-W491 HydrophobicContact CB-CH2 4.44Å; L409-W491 HydrophobicContact CD2-CH2 4.41Å; L409-W491 HydrophobicContact CD2-CZ3 4.44Å
410	S	78.8	Confident	73.3	Confident	32 Å²	32	79.5 Å²	79.5	22%	0.224	44%	0.437	C	S	.	.	H	α-helix	trans	-58.5	-42.5	173.7	-165.7	0	0	0	0	111.6	L406 K407 M412 V413 E414	L406-S410 PolarHBondContact O-N 3.44Å; K407-S410 PolarHBondContact O-N 2.96Å; S410-M412 VanDerWaalsContact C-N 3.27Å; S410-M412 PolarHBondContact O-N 3.26Å; S410-V413 PolarHBondContact O-N 3.36Å; S410-E414 PolarHBondContact O-N 3.3Å
411	A	75	Confident	72.5	Confident	52 Å²	52	77.7 Å²	77.7	43%	0.43	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-36.1	176.8	0	0	0	0	0	112.4	K407 L409 V413 E414	K407-A411 PolarHBondContact O-N 3.35Å; L409-A411 VanDerWaalsContact C-N 3.29Å; L409-A411 PolarHBondContact O-N 3.36Å; A411-V413 VanDerWaalsContact C-N 3.32Å; A411-V413 PolarHBondContact O-N 3.4Å; A411-E414 PolarHBondContact O-N 3.48Å
412	M	70.6	Confident	71.8	Confident	43 Å²	43	79.5 Å²	79.5	21%	0.212	44%	0.436	C	S	.	.	H	α-helix	trans	-66.8	-31.8	178.7	-170	179.5	76	0	0	113.2	D408 L409 S410 Q424 H425 E428	D408-M412 PolarHBondContact O-N 3.11Å; L409-M412 HydrophobicContact CD1-CE 3.54Å; L409-M412 HydrophobicContact CD1-SD 4.41Å; L409-M412 WeakPolarHBondContact O-CB 3.3Å; L409-M412 PolarHBondContact O-N 3.39Å; L409-M412 VanDerWaalsContact O-N 3.14Å; S410-M412 VanDerWaalsContact C-N 3.27Å; S410-M412 PolarHBondContact O-N 3.26Å; M412-Q424 HydrophobicContact CE-CB 4.25Å; M412-Q424 HydrophobicContact CE-CG 3.9Å; M412-Q424 VanDerWaalsContact SD-CD 3.55Å; M412-Q424 HydrophobicContact SD-CG 3.74Å; M412-Q424 PolarHBondContact SD-NE2 2.83Å; M412-H425 VanDerWaalsContact CE-CA 3.44Å; M412-H425 HydrophobicContact CE-CB 3.83Å; M412-E428 HydrophobicContact CE-CG 4.42Å
413	V	69.5	Low	71.4	Confident	50 Å²	50	79 Å²	79	30%	0.303	43%	0.428	S	S	.	.	H	α-helix	trans	-76.7	-35.8	-179.9	179.6	0	0	0	0	111.6	L409 S410 A411 D415 H425	L409-V413 PolarHBondContact O-N 2.84Å; S410-V413 PolarHBondContact O-N 3.36Å; A411-V413 VanDerWaalsContact C-N 3.32Å; A411-V413 PolarHBondContact O-N 3.4Å; V413-D415 PolarHBondContact O-N 3.12Å; V413-H425 WeakPolarHBondContact CG2-CE1 3.41Å; V413-H425 WeakPolarHBondContact CG2-ND1 3.15Å
414	E	62.3	Low	71	Confident	155 Å²	155	78.9 Å²	78.9	72%	0.724	43%	0.425	S	S	*	.	H	α-helix	trans	-65	-29.1	-179.6	-71.8	176.1	-169.2	0	0	112.4	S410 A411	S410-E414 PolarHBondContact O-N 3.3Å; A411-E414 PolarHBondContact O-N 3.48Å
415	D	56.7	Low	70.9	Confident	141 Å²	141	72.4 Å²	72.4	75%	0.754	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-13	-172	-86.2	-17.2	0	0	0	115.8	V413	V413-D415 PolarHBondContact O-N 3.12Å
416	C	44.6	Very low	70.9	Confident	71 Å²	71	69.1 Å²	69.1	48%	0.48	38%	0.377	S	S	.	.			trans	-159.8	124.6	-178.7	-91.7	0	0	0	0	114.9	S418 T421	C416-S418 PolarHBondContact O-N 3.15Å; C416-T421 HydrophobicContact CB-CG2 3.31Å; C416-T421 WeakPolarHBondContact O-CB 3.24Å; C416-T421 WeakPolarHBondContact O-CG2 2.98Å; C416-T421 PolarHBondContact O-OG1 3.33Å
417	S	52.4	Low	70.6	Confident	134 Å²	134	70.1 Å²	70.1	94%	0.937	39%	0.385	S	S	*	.			trans	-96.3	30.9	178.7	-44.2	0	0	0	0	115.1
418	S	57.5	Low	70.6	Confident	57 Å²	57	63.5 Å²	63.5	40%	0.399	36%	0.357	S	S	.	.	S	Bend	trans	-95.9	162.5	-173.6	80.1	0	0	0	0	113.3	C416 S420 T421	C416-S418 PolarHBondContact O-N 3.15Å; S418-S420 PolarHBondContact O-N 3.46Å; S418-S420 VanDerWaalsContact O-N 3.07Å; S418-S420 PolarHBondContact OG-N 3.4Å; S418-T421 PolarHBondContact N-OG1 3.45Å; S418-T421 PolarHBondContact O-N 3.06Å; S418-T421 PolarHBondContact O-OG1 3.22Å
419	R	57.3	Low	71.1	Confident	171 Å²	171	57.3 Å²	57.3	65%	0.645	32%	0.324	S	S	*	.	H	α-helix	trans	-50.1	-35.5	174.4	-173.2	-179.3	173.3	-172.6	-8.9	112.9	T421 Q500	R419-T421 VanDerWaalsContact C-N 3.27Å; R419-T421 PolarHBondContact O-N 3.17Å; R419-Q500 WeakPolarHBondContact CG-O 3.25Å; R419-Q500 PolarHBondContact NE-O 3.06Å; R419-Q500 VanDerWaalsContact NE-O 3.09Å
420	S	63.2	Low	71.4	Confident	78 Å²	78	58.4 Å²	58.4	55%	0.545	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-31.4	178.7	-167.4	0	0	0	0	112.5	S418 Q424	S418-S420 PolarHBondContact O-N 3.46Å; S418-S420 VanDerWaalsContact O-N 3.07Å; S418-S420 PolarHBondContact OG-N 3.4Å; S420-Q424 WeakPolarHBondContact O-CB 3.23Å; S420-Q424 PolarHBondContact O-N 3.05Å; S420-Q424 VanDerWaalsContact O-N 3.11Å
421	T	73.1	Confident	71.6	Confident	16 Å²	16	57.2 Å²	57.2	10%	0.098	32%	0.322	C	S	.	.	H	α-helix	trans	-78.2	-34.9	-177.3	60.4	0	0	0	0	112.8	C416 S418 R419 F423 Q424 H425	C416-T421 HydrophobicContact CB-CG2 3.31Å; C416-T421 WeakPolarHBondContact O-CB 3.24Å; C416-T421 WeakPolarHBondContact O-CG2 2.98Å; C416-T421 PolarHBondContact O-OG1 3.33Å; S418-T421 PolarHBondContact N-OG1 3.45Å; S418-T421 PolarHBondContact O-N 3.06Å; S418-T421 PolarHBondContact O-OG1 3.22Å; R419-T421 VanDerWaalsContact C-N 3.27Å; R419-T421 PolarHBondContact O-N 3.17Å; T421-F423 PolarHBondContact O-N 2.85Å; T421-Q424 PolarHBondContact O-N 2.94Å; T421-H425 WeakPolarHBondContact O-CB 3.47Å; T421-H425 PolarHBondContact O-N 2.92Å
422	N	77.2	Confident	72.2	Confident	42 Å²	42	55.2 Å²	55.2	23%	0.225	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-42.1	174.4	-72.8	-21.3	0	0	0	111.9	L426 T497 A501	N422-L426 WeakPolarHBondContact O-CB 3.43Å; N422-L426 WeakPolarHBondContact O-CG 3.37Å; N422-L426 PolarHBondContact O-N 3.35Å; N422-T497 HydrophobicContact CB-CG2 4.46Å; N422-A501 HydrophobicContact CB-CB 4.17Å
423	F	78.6	Confident	73.1	Confident	34 Å²	34	54 Å²	54	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-51.2	175	175	-108.2	0	0	0	111.3	L57 T421 H425 L426 A427 A501 L598	L57-F423 HydrophobicContact CD2-CD1 4.31Å; L57-F423 HydrophobicContact CD2-CE1 3.72Å; T421-F423 PolarHBondContact O-N 2.85Å; F423-H425 VanDerWaalsContact C-N 3.31Å; F423-H425 PolarHBondContact O-N 2.79Å; F423-L426 PolarHBondContact O-N 3.46Å; F423-A427 VanDerWaalsContact O-CB 3.25Å; F423-A427 WeakPolarHBondContact O-CB 3.04Å; F423-A427 PolarHBondContact O-N 3.38Å; F423-A501 HydrophobicContact CB-CB 4.49Å; F423-A501 WeakPolarHBondContact CD2-O 3.28Å; F423-L598 HydrophobicContact CE2-CD1 3.93Å; F423-L598 HydrophobicContact CE2-CD2 4.36Å; F423-L598 HydrophobicContact CZ-CD1 4.49Å
424	Q	78.4	Confident	74	Confident	68 Å²	68	52 Å²	52	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-41.1	-179.8	-171.1	177.2	-8.7	0	0	111.9	M412 S420 T421 A427 E428	M412-Q424 HydrophobicContact CE-CB 4.25Å; M412-Q424 HydrophobicContact CE-CG 3.9Å; M412-Q424 VanDerWaalsContact SD-CD 3.55Å; M412-Q424 HydrophobicContact SD-CG 3.74Å; M412-Q424 PolarHBondContact SD-NE2 2.83Å; S420-Q424 WeakPolarHBondContact O-CB 3.23Å; S420-Q424 PolarHBondContact O-N 3.05Å; S420-Q424 VanDerWaalsContact O-N 3.11Å; T421-Q424 PolarHBondContact O-N 2.94Å; Q424-A427 PolarHBondContact O-N 3.11Å; Q424-E428 WeakPolarHBondContact O-CG 3.46Å; Q424-E428 PolarHBondContact O-N 3.4Å
425	H	82.8	Confident	75.3	Confident	5 Å²	5	46.2 Å²	46.2	2%	0.023	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-48.6	178.1	-173.5	-170.2	0	0	0	112.1	L409 M412 V413 T421 F423 A427 E428 L429 W491 Y493	L409-H425 VanDerWaalsContact CD2-CD2 3.45Å; L409-H425 WeakPolarHBondContact CD2-CD2 3.3Å; L409-H425 VanDerWaalsContact CG-CD2 3.43Å; L409-H425 WeakPolarHBondContact CG-CD2 3.25Å; M412-H425 VanDerWaalsContact CE-CA 3.44Å; M412-H425 HydrophobicContact CE-CB 3.83Å; V413-H425 WeakPolarHBondContact CG2-CE1 3.41Å; V413-H425 WeakPolarHBondContact CG2-ND1 3.15Å; T421-H425 WeakPolarHBondContact O-CB 3.47Å; T421-H425 PolarHBondContact O-N 2.92Å; F423-H425 VanDerWaalsContact C-N 3.31Å; F423-H425 PolarHBondContact O-N 2.79Å; H425-A427 VanDerWaalsContact C-N 3.3Å; H425-A427 PolarHBondContact O-N 3.37Å; H425-E428 PolarHBondContact O-N 3.17Å; H425-L429 PolarHBondContact O-N 3.27Å; H425-W491 AromaticContact CE1-CD1 3.94Å; H425-W491 AromaticContact CE1-CD2 3.47Å; H425-W491 VanDerWaalsContact CE1-CD2 3.47Å; H425-W491 AromaticContact CE1-CE2 3.57Å; H425-W491 AromaticContact CE1-CE3 3.92Å; H425-W491 AromaticContact CE1-CG 3.71Å; H425-W491 AromaticContact CE1-NE1 3.85Å; H425-W491 AromaticContact NE2-CD2 3.71Å; H425-W491 AromaticContact NE2-CE2 3.84Å; H425-W491 AromaticContact NE2-CE3 3.69Å; H425-W491 AromaticContact NE2-CH2 3.9Å; H425-W491 AromaticContact NE2-CZ2 3.94Å; H425-W491 AromaticContact NE2-CZ3 3.79Å; H425-Y493 PolarHBondContact CE1-OH 3.3Å; H425-Y493 PolarHBondContact ND1-OH 3.22Å; H425-Y493 PolarHBondContact NE2-OH 2.93Å
426	L	84.7	Confident	76.9	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-34.8	175.9	-75.5	173.2	0	0	0	112.2	N422 F423 T430 L484 Y493 A501	N422-L426 WeakPolarHBondContact O-CB 3.43Å; N422-L426 WeakPolarHBondContact O-CG 3.37Å; N422-L426 PolarHBondContact O-N 3.35Å; F423-L426 PolarHBondContact O-N 3.46Å; L426-T430 WeakPolarHBondContact O-CB 3.36Å; L426-T430 PolarHBondContact O-N 3.3Å; L426-T430 PolarHBondContact O-OG1 2.73Å; L426-L484 HydrophobicContact CD2-CD1 3.78Å; L426-Y493 HydrophobicContact CD1-CD1 4.27Å; L426-Y493 HydrophobicContact CD1-CE1 4.37Å; L426-Y493 HydrophobicContact CD2-CD1 3.79Å; L426-Y493 HydrophobicContact CD2-CD2 4.14Å; L426-Y493 HydrophobicContact CD2-CE1 3.61Å; L426-Y493 HydrophobicContact CD2-CE2 3.96Å; L426-Y493 HydrophobicContact CD2-CG 4.04Å; L426-Y493 HydrophobicContact CG-CD1 4.2Å; L426-Y493 HydrophobicContact CG-CE1 3.87Å; L426-A501 HydrophobicContact CD1-CB 3.53Å
427	A	80.8	Confident	79.2	Confident	20 Å²	20	37.5 Å²	37.5	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-53.5	174.4	0	0	0	0	0	110.6	V60 F423 Q424 H425 L429 T430 I431	V60-A427 HydrophobicContact CG1-CB 4.37Å; F423-A427 VanDerWaalsContact O-CB 3.25Å; F423-A427 WeakPolarHBondContact O-CB 3.04Å; F423-A427 PolarHBondContact O-N 3.38Å; Q424-A427 PolarHBondContact O-N 3.11Å; H425-A427 VanDerWaalsContact C-N 3.3Å; H425-A427 PolarHBondContact O-N 3.37Å; A427-L429 PolarHBondContact O-N 3.03Å; A427-T430 CarbonylContact O-C 3.58Å; A427-T430 WeakPolarHBondContact O-CA 3.35Å; A427-T430 VanDerWaalsContact O-CB 3.23Å; A427-T430 WeakPolarHBondContact O-CB 3.3Å; A427-T430 PolarHBondContact O-N 2.94Å; A427-I431 WeakPolarHBondContact O-CG1 3.3Å; A427-I431 PolarHBondContact O-N 3.12Å
428	E	83	Confident	81.1	Confident	21 Å²	21	31.5 Å²	31.5	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-40.7	178.5	-69.4	-69.6	169.4	0	0	112.5	L409 M412 Q424 H425 T430 I431 L432	L409-E428 HydrophobicContact CD1-CB 3.43Å; L409-E428 VanDerWaalsContact CD1-CB 3.43Å; L409-E428 HydrophobicContact CD1-CG 4.01Å; L409-E428 HydrophobicContact CD2-CB 4.5Å; M412-E428 HydrophobicContact CE-CG 4.42Å; Q424-E428 WeakPolarHBondContact O-CG 3.46Å; Q424-E428 PolarHBondContact O-N 3.4Å; H425-E428 PolarHBondContact O-N 3.17Å; E428-T430 VanDerWaalsContact C-N 3.26Å; E428-T430 PolarHBondContact O-N 3.1Å; E428-I431 WeakPolarHBondContact O-CB 3.37Å; E428-I431 PolarHBondContact O-N 3.31Å; E428-L432 PolarHBondContact O-N 3.25Å; E428-L432 VanDerWaalsContact O-N 3.07Å
429	L	86	Confident	82.8	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-59	-39.7	171.1	-79.6	173.2	0	0	0	111.8	L406 L409 H425 A427 L432 N433 L484 W491 Y493	L406-L429 HydrophobicContact CD2-CD2 4.02Å; L409-L429 HydrophobicContact CD2-CD2 3.53Å; L409-L429 HydrophobicContact CD2-CG 3.59Å; H425-L429 PolarHBondContact O-N 3.27Å; A427-L429 PolarHBondContact O-N 3.03Å; L429-L432 PolarHBondContact O-N 2.79Å; L429-N433 WeakPolarHBondContact O-CB 3.38Å; L429-N433 PolarHBondContact O-N 2.88Å; L429-N433 PolarHBondContact O-ND2 2.7Å; L429-L484 HydrophobicContact CD1-CB 3.87Å; L429-L484 HydrophobicContact CD1-CD1 3.91Å; L429-W491 HydrophobicContact CD1-CE3 4.41Å; L429-W491 HydrophobicContact CD2-CZ3 4.15Å; L429-Y493 HydrophobicContact CD1-CE2 3.9Å; L429-Y493 VanDerWaalsContact CD1-OH 3.3Å; L429-Y493 WeakPolarHBondContact CD1-OH 3.34Å
430	T	86.7	Confident	84.6	Confident	33 Å²	33	23.9 Å²	23.9	20%	0.202	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-41.3	176.5	-60	0	0	0	0	111	L426 A427 E428 L432 N433 V434 L467	L426-T430 WeakPolarHBondContact O-CB 3.36Å; L426-T430 PolarHBondContact O-N 3.3Å; L426-T430 PolarHBondContact O-OG1 2.73Å; A427-T430 CarbonylContact O-C 3.58Å; A427-T430 WeakPolarHBondContact O-CA 3.35Å; A427-T430 VanDerWaalsContact O-CB 3.23Å; A427-T430 WeakPolarHBondContact O-CB 3.3Å; A427-T430 PolarHBondContact O-N 2.94Å; E428-T430 VanDerWaalsContact C-N 3.26Å; E428-T430 PolarHBondContact O-N 3.1Å; T430-L432 PolarHBondContact O-N 3.23Å; T430-N433 PolarHBondContact O-N 3.05Å; T430-V434 HydrophobicContact CG2-CG2 4.28Å; T430-V434 VanDerWaalsContact O-CG2 3.31Å; T430-V434 WeakPolarHBondContact O-CG2 3.14Å; T430-V434 PolarHBondContact O-N 2.97Å; T430-L467 HydrophobicContact CG2-CD2 3.64Å
431	I	82.6	Confident	86.1	Confident	6 Å²	6	20.2 Å²	20.2	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-55.2	-54.4	174.5	-58.3	-172.8	0	0	0	110.1	V60 F64 A427 E428 N433 V434 Q435	V60-I431 HydrophobicContact CG1-CD1 3.98Å; F64-I431 HydrophobicContact CB-CD1 3.68Å; F64-I431 HydrophobicContact CB-CG1 3.94Å; F64-I431 HydrophobicContact CD2-CB 3.87Å; F64-I431 HydrophobicContact CD2-CD1 4.2Å; F64-I431 HydrophobicContact CD2-CG1 3.5Å; F64-I431 VanDerWaalsContact CD2-CG1 3.5Å; F64-I431 HydrophobicContact CD2-CG2 3.89Å; F64-I431 HydrophobicContact CE2-CG1 4.37Å; F64-I431 HydrophobicContact CG-CD1 4.41Å; F64-I431 HydrophobicContact CG-CG1 4.11Å; A427-I431 WeakPolarHBondContact O-CG1 3.3Å; A427-I431 PolarHBondContact O-N 3.12Å; E428-I431 WeakPolarHBondContact O-CB 3.37Å; E428-I431 PolarHBondContact O-N 3.31Å; I431-N433 VanDerWaalsContact C-N 3.32Å; I431-N433 PolarHBondContact O-N 3.38Å; I431-V434 PolarHBondContact O-N 3.45Å; I431-Q435 WeakPolarHBondContact O-CG 3.29Å; I431-Q435 PolarHBondContact O-N 3.39Å; I431-Q435 VanDerWaalsContact O-N 3.12Å
432	L	88.1	Confident	87.1	Confident	10 Å²	10	22 Å²	22	5%	0.052	11%	0.111	C	C	.	.	H	α-helix	trans	-58.8	-44.2	-179.2	-66.3	175.8	0	0	0	111.5	P401 D405 L406 E428 L429 T430 V434 Q435 L436	P401-L432 HydrophobicContact CB-CB 4.34Å; P401-L432 HydrophobicContact CB-CD1 4.14Å; P401-L432 HydrophobicContact CG-CB 4.05Å; P401-L432 HydrophobicContact CG-CD1 4.34Å; D405-L432 HydrophobicContact CB-CD1 3.96Å; D405-L432 HydrophobicContact CB-CD2 3.81Å; L406-L432 HydrophobicContact CD2-CD1 4.06Å; E428-L432 PolarHBondContact O-N 3.25Å; E428-L432 VanDerWaalsContact O-N 3.07Å; L429-L432 PolarHBondContact O-N 2.79Å; T430-L432 PolarHBondContact O-N 3.23Å; L432-V434 PolarHBondContact O-N 3.28Å; L432-Q435 PolarHBondContact O-N 3.29Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 3.44Å; L432-L436 VanDerWaalsContact O-N 3.08Å
433	N	89.5	Confident	87.9	Confident	19 Å²	19	23.9 Å²	23.9	10%	0.102	12%	0.118	C	C	.	.	H	α-helix	trans	-65.7	-39	179.3	-84	-85.7	0	0	0	112.7	L429 T430 I431 Q435 L436 I437 L467	L429-N433 WeakPolarHBondContact O-CB 3.38Å; L429-N433 PolarHBondContact O-N 2.88Å; L429-N433 PolarHBondContact O-ND2 2.7Å; T430-N433 PolarHBondContact O-N 3.05Å; I431-N433 VanDerWaalsContact C-N 3.32Å; I431-N433 PolarHBondContact O-N 3.38Å; N433-Q435 VanDerWaalsContact C-N 3.31Å; N433-Q435 PolarHBondContact O-N 2.91Å; N433-L436 PolarHBondContact O-N 3.39Å; N433-I437 WeakPolarHBondContact O-CG1 3.08Å; N433-I437 PolarHBondContact O-N 2.88Å; N433-L467 HydrophobicContact CB-CD1 3.8Å
434	V	88.5	Confident	88.7	Confident	7 Å²	7	22.4 Å²	22.4	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-37.7	176.2	170.4	0	0	0	0	111.4	F64 V68 T430 I431 L432 I437 Y438	F64-V434 HydrophobicContact CE2-CB 3.88Å; F64-V434 HydrophobicContact CE2-CG1 3.93Å; F64-V434 HydrophobicContact CE2-CG2 4.07Å; F64-V434 HydrophobicContact CZ-CB 4.29Å; F64-V434 HydrophobicContact CZ-CG1 3.97Å; F64-V434 HydrophobicContact CZ-CG2 4.23Å; V68-V434 HydrophobicContact CG2-CG1 4.36Å; T430-V434 HydrophobicContact CG2-CG2 4.28Å; T430-V434 VanDerWaalsContact O-CG2 3.31Å; T430-V434 WeakPolarHBondContact O-CG2 3.14Å; T430-V434 PolarHBondContact O-N 2.97Å; I431-V434 PolarHBondContact O-N 3.45Å; L432-V434 PolarHBondContact O-N 3.28Å; V434-I437 WeakPolarHBondContact O-CB 3.37Å; V434-I437 PolarHBondContact O-N 2.93Å; V434-Y438 HydrophobicContact CG1-CE1 4.24Å; V434-Y438 HydrophobicContact CG1-CE2 4.43Å; V434-Y438 PolarHBondContact O-N 3.25Å
435	Q	89.1	Confident	89.5	Confident	34 Å²	34	20.3 Å²	20.3	16%	0.159	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-44.4	174.6	-64.5	-178.4	-80.4	0	0	111.7	R67 V68 I431 L432 N433 I437 Y438 E439	R67-Q435 VanDerWaalsContact CD-OE1 3.3Å; R67-Q435 VanDerWaalsContact CG-NE2 3.26Å; V68-Q435 HydrophobicContact CG2-CG 4.4Å; I431-Q435 WeakPolarHBondContact O-CG 3.29Å; I431-Q435 PolarHBondContact O-N 3.39Å; I431-Q435 VanDerWaalsContact O-N 3.12Å; L432-Q435 PolarHBondContact O-N 3.29Å; N433-Q435 VanDerWaalsContact C-N 3.31Å; N433-Q435 PolarHBondContact O-N 2.91Å; Q435-I437 VanDerWaalsContact C-N 3.32Å; Q435-I437 PolarHBondContact O-N 3Å; Q435-Y438 PolarHBondContact O-N 3.23Å; Q435-E439 PolarHBondContact O-N 2.91Å
436	L	91.8	Very high	89.9	Confident	28 Å²	28	21.2 Å²	21.2	15%	0.147	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-37.1	174.5	-67.1	172.4	0	0	0	112.5	V400 P401 L432 N433 Y438 E439 F440	V400-L436 VanDerWaalsContact C-CD1 3.43Å; P401-L436 HydrophobicContact CB-CD1 4.43Å; P401-L436 HydrophobicContact CG-CD1 4.01Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 3.44Å; L432-L436 VanDerWaalsContact O-N 3.08Å; N433-L436 PolarHBondContact O-N 3.39Å; L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 PolarHBondContact O-N 3.02Å; L436-E439 PolarHBondContact O-N 3.44Å; L436-F440 WeakPolarHBondContact O-CB 3.33Å; L436-F440 PolarHBondContact O-N 2.85Å
437	I	92.9	Very high	90.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-42.9	174.3	-70.7	167.3	0	0	0	110.2	N433 V434 Q435 F440 V441 V466 L467 K470	N433-I437 WeakPolarHBondContact O-CG1 3.08Å; N433-I437 PolarHBondContact O-N 2.88Å; V434-I437 WeakPolarHBondContact O-CB 3.37Å; V434-I437 PolarHBondContact O-N 2.93Å; Q435-I437 VanDerWaalsContact C-N 3.32Å; Q435-I437 PolarHBondContact O-N 3Å; I437-F440 WeakPolarHBondContact O-CB 3.45Å; I437-F440 PolarHBondContact O-N 2.89Å; I437-V441 HydrophobicContact CG2-CG2 4.35Å; I437-V441 VanDerWaalsContact O-CG2 3.25Å; I437-V441 WeakPolarHBondContact O-CG2 3.47Å; I437-V441 PolarHBondContact O-N 3.18Å; I437-V466 HydrophobicContact CB-CG1 4.36Å; I437-V466 HydrophobicContact CD1-CB 4.18Å; I437-V466 HydrophobicContact CD1-CG1 3.84Å; I437-V466 HydrophobicContact CG1-CB 4.46Å; I437-V466 HydrophobicContact CG1-CG1 3.69Å; I437-V466 HydrophobicContact CG2-CB 4.06Å; I437-V466 HydrophobicContact CG2-CG1 3.79Å; I437-L467 HydrophobicContact CD1-CB 3.96Å; I437-L467 HydrophobicContact CD1-CD1 4.31Å; I437-K470 HydrophobicContact CD1-CD 4.1Å; I437-K470 HydrophobicContact CG1-CD 3.72Å
438	Y	92.2	Very high	91.1	Very high	8 Å²	8	25.4 Å²	25.4	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-40.5	179.1	-72.7	0.3	0	0	0	112.2	V68 N72 V434 Q435 L436 V441 K442 M459	V68-Y438 HydrophobicContact CG1-CD2 3.9Å; V68-Y438 HydrophobicContact CG1-CE2 3.35Å; N72-Y438 WeakPolarHBondContact ND2-CD2 3.23Å; N72-Y438 WeakPolarHBondContact ND2-CE2 3.46Å; V434-Y438 HydrophobicContact CG1-CE1 4.24Å; V434-Y438 HydrophobicContact CG1-CE2 4.43Å; V434-Y438 PolarHBondContact O-N 3.25Å; Q435-Y438 PolarHBondContact O-N 3.23Å; L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 PolarHBondContact O-N 3.02Å; Y438-V441 PolarHBondContact O-N 3.39Å; Y438-K442 VanDerWaalsContact O-CG 3.28Å; Y438-K442 WeakPolarHBondContact O-CG 3.48Å; Y438-K442 PolarHBondContact O-N 3.5Å; Y438-K442 VanDerWaalsContact O-N 3.08Å; Y438-M459 HydrophobicContact CD1-CB 4.22Å; Y438-M459 HydrophobicContact CD1-CG 4.44Å; Y438-M459 HydrophobicContact CE1-CB 3.96Å; Y438-M459 VanDerWaalsContact CE1-O 3.25Å; Y438-M459 WeakPolarHBondContact CE1-O 3.42Å; Y438-M459 HydrophobicContact CG-SD 4.47Å
439	E	92.2	Very high	91.6	Very high	56 Å²	56	28 Å²	28	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-63.6	-44.8	172	-68.3	-52.1	129.1	0	0	111.8	F398 Q435 L436 V441 K442 H443	F398-E439 HydrophobicContact CD1-CB 3.63Å; F398-E439 HydrophobicContact CE1-CB 3.69Å; F398-E439 HydrophobicContact CE1-CG 4.46Å; F398-E439 HydrophobicContact CG-CB 4.09Å; F398-E439 HydrophobicContact CZ-CB 4.2Å; Q435-E439 PolarHBondContact O-N 2.91Å; L436-E439 PolarHBondContact O-N 3.44Å; E439-V441 VanDerWaalsContact C-N 3.34Å; E439-V441 PolarHBondContact O-N 3.02Å; E439-K442 PolarHBondContact O-N 3.02Å; E439-K442 IonicContact OE1-NZ 3.01Å; E439-K442 PolarHBondContact OE1-NZ 3.1Å; E439-H443 PolarHBondContact O-N 3.35Å; E439-H443 PolarHBondContact O-ND1 3.1Å; E439-H443 IonicContact OE2-CE1 2.88Å
440	F	94.3	Very high	92	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.053	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-48.8	174.2	170.1	-102.5	0	0	0	112.2	C394 Q395 F398 L436 I437 K442 H443 L444 T531	C394-F440 HydrophobicContact CB-CD2 4.08Å; C394-F440 HydrophobicContact CB-CE2 4.16Å; Q395-F440 HydrophobicContact CB-CD2 4.46Å; Q395-F440 HydrophobicContact CB-CE2 3.91Å; F398-F440 HydrophobicContact CB-CB 3.99Å; F398-F440 HydrophobicContact CD2-CB 4.3Å; F398-F440 HydrophobicContact CG-CB 4.47Å; L436-F440 WeakPolarHBondContact O-CB 3.33Å; L436-F440 PolarHBondContact O-N 2.85Å; I437-F440 WeakPolarHBondContact O-CB 3.45Å; I437-F440 PolarHBondContact O-N 2.89Å; F440-K442 PolarHBondContact O-N 3.01Å; F440-H443 PolarHBondContact O-N 3.08Å; F440-L444 HydrophobicContact CD1-CD1 4.46Å; F440-L444 HydrophobicContact CE1-CD1 3.88Å; F440-L444 HydrophobicContact CE1-CD2 4.17Å; F440-L444 HydrophobicContact CE1-CG 4.2Å; F440-L444 HydrophobicContact CE2-CD2 4.11Å; F440-L444 HydrophobicContact CZ-CD1 4.28Å; F440-L444 HydrophobicContact CZ-CD2 3.72Å; F440-L444 HydrophobicContact CZ-CG 4.24Å; F440-L444 PolarHBondContact O-N 3Å; F440-T531 HydrophobicContact CD1-CG2 4.5Å; F440-T531 HydrophobicContact CE1-CG2 3.69Å; F440-T531 HydrophobicContact CZ-CG2 4.24Å
441	V	95.7	Very high	92.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-43	-178	170.6	0	0	0	0	111.7	I437 Y438 E439 H443 L444 F447 M459 V535	I437-V441 HydrophobicContact CG2-CG2 4.35Å; I437-V441 VanDerWaalsContact O-CG2 3.25Å; I437-V441 WeakPolarHBondContact O-CG2 3.47Å; I437-V441 PolarHBondContact O-N 3.18Å; Y438-V441 PolarHBondContact O-N 3.39Å; E439-V441 VanDerWaalsContact C-N 3.34Å; E439-V441 PolarHBondContact O-N 3.02Å; V441-H443 PolarHBondContact O-N 3.46Å; V441-H443 VanDerWaalsContact O-N 3.17Å; V441-L444 WeakPolarHBondContact O-CB 3.46Å; V441-L444 PolarHBondContact O-N 3.37Å; V441-L444 VanDerWaalsContact O-N 3.12Å; V441-F447 HydrophobicContact CG1-CD1 4.26Å; V441-F447 HydrophobicContact CG1-CD2 3.63Å; V441-F447 HydrophobicContact CG1-CE1 3.98Å; V441-F447 HydrophobicContact CG1-CE2 3.31Å; V441-F447 HydrophobicContact CG1-CG 4.1Å; V441-F447 HydrophobicContact CG1-CZ 3.5Å; V441-F447 WeakPolarHBondContact O-CG 3.49Å; V441-M459 HydrophobicContact CB-CG 4.24Å; V441-M459 HydrophobicContact CG1-CG 3.66Å; V441-M459 HydrophobicContact CG1-SD 4.42Å; V441-V535 HydrophobicContact CG1-CG1 3.79Å; V441-V535 HydrophobicContact CG2-CG1 3.98Å; V441-V535 HydrophobicContact CG2-CG2 3.71Å
442	K	94	Very high	92.9	Very high	55 Å²	55	33.3 Å²	33.3	24%	0.239	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-30.9	177.3	-72.3	170.7	-169	169.6	0	113.1	N72 Y438 E439 F440 M459	N72-K442 VanDerWaalsContact OD1-CE 3.25Å; N72-K442 WeakPolarHBondContact OD1-CE 3.49Å; N72-K442 PolarHBondContact OD1-NZ 3.08Å; Y438-K442 VanDerWaalsContact O-CG 3.28Å; Y438-K442 WeakPolarHBondContact O-CG 3.48Å; Y438-K442 PolarHBondContact O-N 3.5Å; Y438-K442 VanDerWaalsContact O-N 3.08Å; E439-K442 PolarHBondContact O-N 3.02Å; E439-K442 IonicContact OE1-NZ 3.01Å; E439-K442 PolarHBondContact OE1-NZ 3.1Å; F440-K442 PolarHBondContact O-N 3.01Å; K442-M459 HydrophobicContact CG-SD 4.49Å
443	H	93.5	Very high	93.2	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.375	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.4	-177.1	-66.9	81.4	0	0	0	113.8	C394 F398 E439 F440 V441	C394-H443 HydrophobicContact CB-CB 4.44Å; F398-H443 HydrophobicContact CE2-CB 4.14Å; F398-H443 AromaticContact CE2-CE1 3.93Å; F398-H443 AromaticContact CE2-CG 3.71Å; F398-H443 AromaticContact CE2-ND1 3.51Å; F398-H443 AromaticContact CZ-CE1 3.55Å; F398-H443 AromaticContact CZ-ND1 3.61Å; E439-H443 PolarHBondContact O-N 3.35Å; E439-H443 PolarHBondContact O-ND1 3.1Å; E439-H443 IonicContact OE2-CE1 2.88Å; F440-H443 PolarHBondContact O-N 3.08Å; V441-H443 PolarHBondContact O-N 3.46Å; V441-H443 VanDerWaalsContact O-N 3.17Å
444	L	95.9	Very high	93.4	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.204	C	C	.	.	S	Bend	trans	-67.9	131.8	177.3	-75.1	176.2	0	0	0	111.8	V391 F440 V441 G446 F447 A532 V535 F536	V391-L444 HydrophobicContact CG1-CD2 4.13Å; V391-L444 HydrophobicContact CG2-CD2 4.28Å; F440-L444 HydrophobicContact CD1-CD1 4.46Å; F440-L444 HydrophobicContact CE1-CD1 3.88Å; F440-L444 HydrophobicContact CE1-CD2 4.17Å; F440-L444 HydrophobicContact CE1-CG 4.2Å; F440-L444 HydrophobicContact CE2-CD2 4.11Å; F440-L444 HydrophobicContact CZ-CD1 4.28Å; F440-L444 HydrophobicContact CZ-CD2 3.72Å; F440-L444 HydrophobicContact CZ-CG 4.24Å; F440-L444 PolarHBondContact O-N 3Å; V441-L444 WeakPolarHBondContact O-CB 3.46Å; V441-L444 PolarHBondContact O-N 3.37Å; V441-L444 VanDerWaalsContact O-N 3.12Å; L444-G446 PolarHBondContact O-N 2.82Å; L444-F447 HydrophobicContact CB-CB 4.32Å; L444-F447 VanDerWaalsContact O-CB 3.3Å; L444-F447 WeakPolarHBondContact O-CB 3.41Å; L444-F447 PolarHBondContact O-N 3.45Å; L444-F447 VanDerWaalsContact O-N 3.08Å; L444-A532 HydrophobicContact CD1-CB 4.25Å; L444-A532 HydrophobicContact CD2-CB 4.21Å; L444-V535 HydrophobicContact CD1-CB 4.27Å; L444-V535 HydrophobicContact CD1-CG1 4.18Å; L444-V535 HydrophobicContact CD1-CG2 4.25Å; L444-F536 HydrophobicContact CB-CE2 4.14Å; L444-F536 HydrophobicContact CB-CZ 4.14Å; L444-F536 HydrophobicContact CD1-CE2 3.97Å; L444-F536 HydrophobicContact CD1-CZ 4.46Å
445	P	94.2	Very high	93.8	Very high	24 Å²	24	38.9 Å²	38.9	16%	0.156	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	128.4	174.1	-30.2	37.2	0	0	0	113.2	L387 R390 F447 Y555	L387-P445 HydrophobicContact CD1-CB 3.83Å; L387-P445 HydrophobicContact CD1-CG 3.79Å; R390-P445 HydrophobicContact CB-CG 4.28Å; P445-F447 VanDerWaalsContact C-N 3.34Å; P445-F447 PolarHBondContact O-N 3.4Å; P445-Y555 WeakPolarHBondContact CD-OH 3.38Å; P445-Y555 PolarHBondContact O-OH 3.34Å
446	G	93.3	Very high	93.9	Very high	24 Å²	24	38.3 Å²	38.3	25%	0.247	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-22.2	-177.9	0	0	0	0	0	114.6	L444 V448 T449	L444-G446 PolarHBondContact O-N 2.82Å; G446-V448 PolarHBondContact O-N 3.26Å; G446-T449 WeakPolarHBondContact O-CB 3.15Å; G446-T449 PolarHBondContact O-N 3.06Å; G446-T449 VanDerWaalsContact O-N 3.08Å; G446-T449 PolarHBondContact O-OG1 3.29Å
447	F	95.6	Very high	93.9	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-59.5	-45.6	-178.2	-171.8	-102.1	0	0	0	112.7	V441 L444 P445 T449 L450 Q455 M459 F536	V441-F447 HydrophobicContact CG1-CD1 4.26Å; V441-F447 HydrophobicContact CG1-CD2 3.63Å; V441-F447 HydrophobicContact CG1-CE1 3.98Å; V441-F447 HydrophobicContact CG1-CE2 3.31Å; V441-F447 HydrophobicContact CG1-CG 4.1Å; V441-F447 HydrophobicContact CG1-CZ 3.5Å; V441-F447 WeakPolarHBondContact O-CG 3.49Å; L444-F447 HydrophobicContact CB-CB 4.32Å; L444-F447 VanDerWaalsContact O-CB 3.3Å; L444-F447 WeakPolarHBondContact O-CB 3.41Å; L444-F447 PolarHBondContact O-N 3.45Å; L444-F447 VanDerWaalsContact O-N 3.08Å; P445-F447 VanDerWaalsContact C-N 3.34Å; P445-F447 PolarHBondContact O-N 3.4Å; F447-T449 PolarHBondContact O-N 3.46Å; F447-L450 HydrophobicContact CD2-CD1 4.38Å; F447-L450 WeakPolarHBondContact O-CB 3.31Å; F447-L450 PolarHBondContact O-N 2.88Å; F447-L450 VanDerWaalsContact O-N 3.13Å; F447-Q455 HydrophobicContact CD1-CG 4.25Å; F447-Q455 HydrophobicContact CE1-CB 3.84Å; F447-Q455 HydrophobicContact CE1-CG 3.69Å; F447-Q455 HydrophobicContact CE2-CB 4.28Å; F447-Q455 HydrophobicContact CE2-CG 4.24Å; F447-Q455 HydrophobicContact CZ-CB 3.5Å; F447-Q455 HydrophobicContact CZ-CG 3.67Å; F447-Q455 PolarHBondContact O-NE2 2.96Å; F447-M459 HydrophobicContact CE1-CE 4.07Å; F447-M459 HydrophobicContact CE1-SD 4.36Å; F447-M459 HydrophobicContact CE2-CG 4.45Å; F447-M459 HydrophobicContact CZ-CE 3.81Å; F447-M459 HydrophobicContact CZ-CG 3.8Å; F447-M459 HydrophobicContact CZ-SD 4.09Å; F447-F536 HydrophobicContact CB-CE1 4.25Å; F447-F536 HydrophobicContact CB-CZ 3.96Å; F447-F536 AromaticContact CD2-CE1 3.88Å; F447-F536 HydrophobicContact CD2-CE1 3.88Å; F447-F536 HydrophobicContact CD2-CZ 4.16Å
448	V	93.2	Very high	93.9	Very high	110 Å²	110	38.3 Å²	38.3	67%	0.667	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-63.1	-14.9	-179.8	-50.5	0	0	0	0	113.8	G446	G446-V448 PolarHBondContact O-N 3.26Å
449	T	94	Very high	93.9	Very high	75 Å²	75	38.1 Å²	38.1	46%	0.46	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-83.2	-16.9	-179.7	74.8	0	0	0	0	112.7	G446 F447 K547	G446-T449 WeakPolarHBondContact O-CB 3.15Å; G446-T449 PolarHBondContact O-N 3.06Å; G446-T449 VanDerWaalsContact O-N 3.08Å; G446-T449 PolarHBondContact O-OG1 3.29Å; F447-T449 PolarHBondContact O-N 3.46Å; T449-K547 WeakPolarHBondContact O-CE 3.32Å; T449-K547 PolarHBondContact O-NZ 2.95Å
450	L	94.5	Very high	93.6	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	21%	0.206	C	C	.	.	S	Bend	trans	-76.5	158.8	178.2	-62.3	175.5	0	0	0	111.3	F447 Q455 L458 F536 K547 V548 I551	F447-L450 HydrophobicContact CD2-CD1 4.38Å; F447-L450 WeakPolarHBondContact O-CB 3.31Å; F447-L450 PolarHBondContact O-N 2.88Å; F447-L450 VanDerWaalsContact O-N 3.13Å; L450-Q455 HydrophobicContact CB-CG 3.92Å; L450-Q455 PolarHBondContact O-NE2 3.4Å; L450-L458 HydrophobicContact CD1-CD1 3.54Å; L450-F536 HydrophobicContact CD1-CD1 4.29Å; L450-F536 HydrophobicContact CD1-CE1 4.02Å; L450-K547 HydrophobicContact CD2-CB 4.35Å; L450-K547 HydrophobicContact CD2-CD 4.02Å; L450-K547 HydrophobicContact CD2-CG 3.91Å; L450-V548 HydrophobicContact CD1-CG2 4.17Å; L450-V548 HydrophobicContact CD2-CG2 3.87Å; L450-I551 HydrophobicContact CD1-CD1 4.36Å; L450-I551 HydrophobicContact CD2-CD1 3.76Å; L450-I551 HydrophobicContact CG-CD1 3.99Å
451	L	95	Very high	93.2	Very high	61 Å²	61	38.2 Å²	38.2	32%	0.319	22%	0.216	S	C	.	.			trans	-64.6	146.3	174.9	-65.9	175.3	0	0	0	111.4	E453 D454 Q455 I543 E544	L451-E453 PolarHBondContact O-N 3.49Å; L451-D454 HydrophobicContact CB-CB 4.45Å; L451-D454 PolarHBondContact O-N 3.08Å; L451-D454 VanDerWaalsContact O-N 3.08Å; L451-Q455 WeakPolarHBondContact O-CG 3.49Å; L451-Q455 PolarHBondContact O-N 3Å; L451-I543 HydrophobicContact CD1-CB 4.08Å; L451-I543 HydrophobicContact CD1-CD1 4.29Å; L451-I543 HydrophobicContact CD1-CG2 3.76Å; L451-E544 HydrophobicContact CD1-CG 3.94Å
452	P	94.4	Very high	93	Very high	86 Å²	86	38.2 Å²	38.2	56%	0.558	22%	0.216	S	C	*	.	H	α-helix	trans	-54.1	-34.8	178	-26.9	35.7	0	0	0	114	S456	P452-S456 VanDerWaalsContact O-CB 3.23Å; P452-S456 WeakPolarHBondContact O-CB 3.49Å; P452-S456 PolarHBondContact O-N 3.02Å
453	E	92.9	Very high	92.7	Very high	110 Å²	110	36.4 Å²	36.4	51%	0.514	21%	0.21	S	C	.	.	H	α-helix	trans	-65.9	-45.4	176.9	-64.2	74.2	-164.1	0	0	111.6	L451 S456 L457 I543	L451-E453 PolarHBondContact O-N 3.49Å; E453-S456 WeakPolarHBondContact O-CB 3.22Å; E453-S456 PolarHBondContact O-N 3.28Å; E453-L457 WeakPolarHBondContact O-CB 3.41Å; E453-L457 PolarHBondContact O-N 3Å; E453-I543 HydrophobicContact CB-CD1 3.76Å; E453-I543 HydrophobicContact CG-CD1 4.14Å
454	D	95.3	Very high	92.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-42	177.1	-75.5	-12.2	0	0	0	111.1	L451 S456 L457 L458 L542 I543 E544	L451-D454 HydrophobicContact CB-CB 4.45Å; L451-D454 PolarHBondContact O-N 3.08Å; L451-D454 VanDerWaalsContact O-N 3.08Å; D454-S456 VanDerWaalsContact C-N 3.25Å; D454-S456 PolarHBondContact O-N 2.87Å; D454-L457 PolarHBondContact O-N 2.7Å; D454-L458 WeakPolarHBondContact O-CB 3.45Å; D454-L458 VanDerWaalsContact O-CG 3.26Å; D454-L458 WeakPolarHBondContact O-CG 3.47Å; D454-L458 PolarHBondContact O-N 2.98Å; D454-L542 HydrophobicContact CB-CD2 3.93Å; D454-L542 WeakPolarHBondContact OD1-CA 3.47Å; D454-I543 PolarHBondContact OD1-N 3.31Å; D454-I543 PolarHBondContact OD2-N 3.24Å; D454-E544 PolarHBondContact OD2-N 2.73Å
455	Q	95	Very high	92.2	Very high	42 Å²	42	34.5 Å²	34.5	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-54.8	-46.5	172.3	-72.1	-179.1	25.6	0	0	110.6	F447 L450 L451 M459	F447-Q455 HydrophobicContact CD1-CG 4.25Å; F447-Q455 HydrophobicContact CE1-CB 3.84Å; F447-Q455 HydrophobicContact CE1-CG 3.69Å; F447-Q455 HydrophobicContact CE2-CB 4.28Å; F447-Q455 HydrophobicContact CE2-CG 4.24Å; F447-Q455 HydrophobicContact CZ-CB 3.5Å; F447-Q455 HydrophobicContact CZ-CG 3.67Å; F447-Q455 PolarHBondContact O-NE2 2.96Å; L450-Q455 HydrophobicContact CB-CG 3.92Å; L450-Q455 PolarHBondContact O-NE2 3.4Å; L451-Q455 WeakPolarHBondContact O-CG 3.49Å; L451-Q455 PolarHBondContact O-N 3Å; Q455-M459 HydrophobicContact CB-CE 4.16Å; Q455-M459 WeakPolarHBondContact O-CB 3.5Å; Q455-M459 VanDerWaalsContact O-CE 3.28Å; Q455-M459 WeakPolarHBondContact O-CE 3.32Å; Q455-M459 WeakPolarHBondContact O-CG 3.25Å; Q455-M459 PolarHBondContact O-N 3.16Å
456	S	91.1	Very high	92.1	Very high	21 Å²	21	33.4 Å²	33.4	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-49.4	177.9	152	0	0	0	0	112	W74 P452 E453 D454 K460	W74-S456 WeakPolarHBondContact CH2-OG 3.47Å; W74-S456 VanDerWaalsContact CZ3-CB 3.41Å; W74-S456 WeakPolarHBondContact CZ3-OG 3.25Å; P452-S456 VanDerWaalsContact O-CB 3.23Å; P452-S456 WeakPolarHBondContact O-CB 3.49Å; P452-S456 PolarHBondContact O-N 3.02Å; E453-S456 WeakPolarHBondContact O-CB 3.22Å; E453-S456 PolarHBondContact O-N 3.28Å; D454-S456 VanDerWaalsContact C-N 3.25Å; D454-S456 PolarHBondContact O-N 2.87Å; S456-K460 VanDerWaalsContact O-CG 3.25Å; S456-K460 WeakPolarHBondContact O-CG 3.37Å; S456-K460 PolarHBondContact O-N 2.68Å; S456-K460 VanDerWaalsContact O-N 3.11Å
457	L	92.4	Very high	92.1	Very high	29 Å²	29	32.7 Å²	32.7	15%	0.152	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-47.1	-178.4	-170.8	157.8	0	0	0	111.6	E453 D454 K460 A461 R539 R541 L542	E453-L457 WeakPolarHBondContact O-CB 3.41Å; E453-L457 PolarHBondContact O-N 3Å; D454-L457 PolarHBondContact O-N 2.7Å; L457-K460 PolarHBondContact O-N 2.83Å; L457-A461 WeakPolarHBondContact O-CB 3.31Å; L457-A461 PolarHBondContact O-N 3.45Å; L457-R539 HydrophobicContact CD2-CB 3.4Å; L457-R539 VanDerWaalsContact CD2-CB 3.4Å; L457-R539 HydrophobicContact CD2-CG 3.93Å; L457-R541 HydrophobicContact CD1-CB 3.85Å; L457-R541 WeakPolarHBondContact CD1-O 3.44Å; L457-L542 HydrophobicContact CD2-CD2 4Å; L457-L542 HydrophobicContact CD2-CG 4.3Å
458	L	93.3	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-47.4	179	-70.2	174.8	0	0	0	111.5	L450 D454 K460 A461 C462 R539 L542 V548	L450-L458 HydrophobicContact CD1-CD1 3.54Å; D454-L458 WeakPolarHBondContact O-CB 3.45Å; D454-L458 VanDerWaalsContact O-CG 3.26Å; D454-L458 WeakPolarHBondContact O-CG 3.47Å; D454-L458 PolarHBondContact O-N 2.98Å; L458-K460 VanDerWaalsContact C-N 3.31Å; L458-K460 PolarHBondContact O-N 3.41Å; L458-A461 PolarHBondContact O-N 3.3Å; L458-C462 WeakPolarHBondContact O-CB 3.37Å; L458-C462 PolarHBondContact O-N 3.27Å; L458-C462 PolarHBondContact O-SG 3.27Å; L458-R539 HydrophobicContact CD2-CG 3.84Å; L458-L542 HydrophobicContact CD2-CD1 4.37Å; L458-L542 HydrophobicContact CD2-CD2 4.03Å; L458-L542 HydrophobicContact CG-CD2 4.05Å; L458-V548 HydrophobicContact CD1-CG1 4.2Å; L458-V548 HydrophobicContact CD1-CG2 4.04Å; L458-V548 HydrophobicContact CD2-CG1 4.26Å
459	M	92.2	Very high	92.1	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.02	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-41.6	177.2	-79.7	-173.9	-79.7	0	0	112.3	W74 Y438 V441 K442 F447 Q455 S463	W74-M459 HydrophobicContact CH2-CE 4.49Å; W74-M459 HydrophobicContact CZ2-CE 3.64Å; Y438-M459 HydrophobicContact CD1-CB 4.22Å; Y438-M459 HydrophobicContact CD1-CG 4.44Å; Y438-M459 HydrophobicContact CE1-CB 3.96Å; Y438-M459 VanDerWaalsContact CE1-O 3.25Å; Y438-M459 WeakPolarHBondContact CE1-O 3.42Å; Y438-M459 HydrophobicContact CG-SD 4.47Å; V441-M459 HydrophobicContact CB-CG 4.24Å; V441-M459 HydrophobicContact CG1-CG 3.66Å; V441-M459 HydrophobicContact CG1-SD 4.42Å; K442-M459 HydrophobicContact CG-SD 4.49Å; F447-M459 HydrophobicContact CE1-CE 4.07Å; F447-M459 HydrophobicContact CE1-SD 4.36Å; F447-M459 HydrophobicContact CE2-CG 4.45Å; F447-M459 HydrophobicContact CZ-CE 3.81Å; F447-M459 HydrophobicContact CZ-CG 3.8Å; F447-M459 HydrophobicContact CZ-SD 4.09Å; Q455-M459 HydrophobicContact CB-CE 4.16Å; Q455-M459 WeakPolarHBondContact O-CB 3.5Å; Q455-M459 VanDerWaalsContact O-CE 3.28Å; Q455-M459 WeakPolarHBondContact O-CE 3.32Å; Q455-M459 WeakPolarHBondContact O-CG 3.25Å; Q455-M459 PolarHBondContact O-N 3.16Å; M459-S463 PolarHBondContact O-N 2.73Å
460	K	85.5	Confident	92.1	Very high	37 Å²	37	25 Å²	25	16%	0.161	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-49.6	176.4	-68.4	177.7	179.2	169.8	0	111.2	F42 S456 L457 L458 S463	F42-K460 HydrophobicContact CD2-CD 4.08Å; F42-K460 HydrophobicContact CE1-CB 3.82Å; F42-K460 HydrophobicContact CE1-CD 4.17Å; F42-K460 HydrophobicContact CE1-CG 3.91Å; F42-K460 HydrophobicContact CE2-CD 3.53Å; F42-K460 VanDerWaalsContact CE2-CE 3.48Å; F42-K460 HydrophobicContact CE2-CG 3.82Å; F42-K460 HydrophobicContact CZ-CB 3.83Å; F42-K460 HydrophobicContact CZ-CD 3.61Å; F42-K460 HydrophobicContact CZ-CG 3.36Å; S456-K460 VanDerWaalsContact O-CG 3.25Å; S456-K460 WeakPolarHBondContact O-CG 3.37Å; S456-K460 PolarHBondContact O-N 2.68Å; S456-K460 VanDerWaalsContact O-N 3.11Å; L457-K460 PolarHBondContact O-N 2.83Å; L458-K460 VanDerWaalsContact C-N 3.31Å; L458-K460 PolarHBondContact O-N 3.41Å; K460-S463 PolarHBondContact O-OG 3.22Å
461	A	86.9	Confident	92	Very high	33 Å²	33	25.5 Å²	25.5	27%	0.273	14%	0.142	S	C	.	.	H	α-helix	trans	-69.3	-36	-174.2	0	0	0	0	0	113.6	L457 L458 R539	L457-A461 WeakPolarHBondContact O-CB 3.31Å; L457-A461 PolarHBondContact O-N 3.45Å; L458-A461 PolarHBondContact O-N 3.3Å; A461-R539 HydrophobicContact CB-CG 3.88Å
462	C	90.8	Very high	92	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-82.4	-15.4	-178.2	77	0	0	0	0	113.6	L458 T464 E465 V466 V535	L458-C462 WeakPolarHBondContact O-CB 3.37Å; L458-C462 PolarHBondContact O-N 3.27Å; L458-C462 PolarHBondContact O-SG 3.27Å; C462-T464 PolarHBondContact O-N 3.2Å; C462-E465 PolarHBondContact O-N 3.39Å; C462-V466 HydrophobicContact CB-CG2 4.15Å; C462-V466 WeakPolarHBondContact O-CB 3.44Å; C462-V466 WeakPolarHBondContact O-CG2 3.2Å; C462-V466 PolarHBondContact O-N 3.49Å; C462-V535 HydrophobicContact CB-CG2 4.32Å
463	S	87.6	Confident	92.1	Very high	17 Å²	17	21.1 Å²	21.1	12%	0.119	11%	0.112	C	C	.	.	H	α-helix	trans	-53.4	-46.4	-169.4	59.8	0	0	0	0	113.8	M459 K460 L467	M459-S463 PolarHBondContact O-N 2.73Å; K460-S463 PolarHBondContact O-OG 3.22Å; S463-L467 VanDerWaalsContact O-CB 3.25Å; S463-L467 WeakPolarHBondContact O-CB 3.28Å; S463-L467 PolarHBondContact O-N 3.35Å
464	T	86.8	Confident	92.1	Very high	36 Å²	36	19.7 Å²	19.7	22%	0.221	10%	0.102	C	C	.	.	H	α-helix	trans	-70.6	-44.4	179.2	52.1	0	0	0	0	111.9	C462 V466 L467 M468	C462-T464 PolarHBondContact O-N 3.2Å; T464-V466 PolarHBondContact O-N 3.03Å; T464-L467 PolarHBondContact O-N 3.49Å; T464-M468 VanDerWaalsContact O-CG 3.3Å; T464-M468 WeakPolarHBondContact O-CG 3.36Å; T464-M468 PolarHBondContact O-N 3.08Å
465	E	91.4	Very high	92.2	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-46.2	178.5	-65	176	-159	0	0	111.6	C462 M468 L469 S534 R539 L584 R585	C462-E465 PolarHBondContact O-N 3.39Å; E465-M468 PolarHBondContact O-N 3.42Å; E465-L469 PolarHBondContact O-N 3.18Å; E465-S534 WeakPolarHBondContact CB-OG 2.99Å; E465-S534 PolarHBondContact OE2-OG 3.45Å; E465-R539 VanDerWaalsContact CD-NH2 3.29Å; E465-R539 IonicContact OE1-CZ 2.82Å; E465-R539 IonicContact OE1-NH1 3.82Å; E465-R539 PolarHBondContact OE1-NH1 3.12Å; E465-R539 IonicContact OE1-NH2 3.77Å; E465-R539 PolarHBondContact OE1-NH2 3.26Å; E465-R539 VanDerWaalsContact OE1-NH2 3.16Å; E465-R539 IonicContact OE2-CZ 2.92Å; E465-R539 IonicContact OE2-NH1 2.63Å; E465-R539 IonicContact OE2-NH2 3.69Å; E465-R539 PolarHBondContact OE2-NH2 3.22Å; E465-L584 HydrophobicContact CB-CB 4.45Å; E465-L584 HydrophobicContact CB-CD1 4.45Å; E465-L584 HydrophobicContact CG-CB 4.28Å; E465-R585 WeakPolarHBondContact OE1-CD 3.4Å; E465-R585 IonicContact OE1-CZ 2.78Å; E465-R585 IonicContact OE1-NE 3.19Å; E465-R585 PolarHBondContact OE1-NE 3.23Å; E465-R585 IonicContact OE2-NE 2.76Å
466	V	93.9	Very high	92.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.2	-38.8	178	175.9	0	0	0	0	111	I437 C462 T464 M468 L469 K470 T531 V535	I437-V466 HydrophobicContact CB-CG1 4.36Å; I437-V466 HydrophobicContact CD1-CB 4.18Å; I437-V466 HydrophobicContact CD1-CG1 3.84Å; I437-V466 HydrophobicContact CG1-CB 4.46Å; I437-V466 HydrophobicContact CG1-CG1 3.69Å; I437-V466 HydrophobicContact CG2-CB 4.06Å; I437-V466 HydrophobicContact CG2-CG1 3.79Å; C462-V466 HydrophobicContact CB-CG2 4.15Å; C462-V466 WeakPolarHBondContact O-CB 3.44Å; C462-V466 WeakPolarHBondContact O-CG2 3.2Å; C462-V466 PolarHBondContact O-N 3.49Å; T464-V466 PolarHBondContact O-N 3.03Å; V466-M468 VanDerWaalsContact C-N 3.31Å; V466-M468 PolarHBondContact O-N 2.91Å; V466-L469 PolarHBondContact O-N 3.35Å; V466-K470 HydrophobicContact CG1-CD 4.21Å; V466-K470 HydrophobicContact CG1-CG 4.43Å; V466-K470 WeakPolarHBondContact O-CG 3.25Å; V466-K470 PolarHBondContact O-N 3.21Å; V466-T531 HydrophobicContact CB-CG2 4.3Å; V466-T531 HydrophobicContact CG1-CG2 3.6Å; V466-T531 HydrophobicContact CG2-CG2 3.9Å; V466-V535 HydrophobicContact CG2-CG2 3.88Å
467	L	92.2	Very high	92.3	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-42	174.7	-177.2	68.1	0	0	0	111.3	T430 N433 I437 S463 T464 K470 T471	T430-L467 HydrophobicContact CG2-CD2 3.64Å; N433-L467 HydrophobicContact CB-CD1 3.8Å; I437-L467 HydrophobicContact CD1-CB 3.96Å; I437-L467 HydrophobicContact CD1-CD1 4.31Å; S463-L467 VanDerWaalsContact O-CB 3.25Å; S463-L467 WeakPolarHBondContact O-CB 3.28Å; S463-L467 PolarHBondContact O-N 3.35Å; T464-L467 PolarHBondContact O-N 3.49Å; L467-K470 PolarHBondContact O-N 3.33Å; L467-T471 VanDerWaalsContact O-CB 3.26Å; L467-T471 WeakPolarHBondContact O-CB 3.48Å; L467-T471 PolarHBondContact O-N 3.37Å; L467-T471 PolarHBondContact O-OG1 3.34Å
468	M	92.6	Very high	92.3	Very high	6 Å²	6	32 Å²	32	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-40	176.8	-66	-59.7	175.8	0	0	112.2	T464 E465 V466 T471 A472 W503 I510 L584 H591	T464-M468 VanDerWaalsContact O-CG 3.3Å; T464-M468 WeakPolarHBondContact O-CG 3.36Å; T464-M468 PolarHBondContact O-N 3.08Å; E465-M468 PolarHBondContact O-N 3.42Å; V466-M468 VanDerWaalsContact C-N 3.31Å; V466-M468 PolarHBondContact O-N 2.91Å; M468-T471 PolarHBondContact O-N 2.82Å; M468-A472 VanDerWaalsContact O-CB 3.31Å; M468-A472 WeakPolarHBondContact O-CB 3.28Å; M468-A472 PolarHBondContact O-N 3.11Å; M468-W503 HydrophobicContact CE-CZ3 4.25Å; M468-I510 HydrophobicContact CE-CD1 4.03Å; M468-I510 HydrophobicContact CE-CG1 4.19Å; M468-I510 HydrophobicContact SD-CD1 4.12Å; M468-I510 HydrophobicContact SD-CG1 3.85Å; M468-L584 HydrophobicContact CB-CD2 3.74Å; M468-H591 HydrophobicContact CE-CB 3.83Å
469	L	95.5	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-46.6	173.4	-79.3	173.4	0	0	0	112.3	E465 V466 T471 A472 R473 F513 L517 L530 L584	E465-L469 PolarHBondContact O-N 3.18Å; V466-L469 PolarHBondContact O-N 3.35Å; L469-T471 VanDerWaalsContact C-N 3.34Å; L469-T471 PolarHBondContact O-N 3.42Å; L469-A472 PolarHBondContact O-N 2.95Å; L469-R473 PolarHBondContact O-N 3.43Å; L469-F513 HydrophobicContact CD2-CE1 4.28Å; L469-F513 HydrophobicContact CD2-CZ 4.03Å; L469-L517 HydrophobicContact CD2-CD1 4.21Å; L469-L530 HydrophobicContact CD2-CD2 3.9Å; L469-L584 HydrophobicContact CD1-CD1 3.65Å; L469-L584 HydrophobicContact CD2-CD1 3.92Å; L469-L584 HydrophobicContact CD2-CD2 4.49Å; L469-L584 HydrophobicContact CG-CD1 3.59Å; L469-L584 HydrophobicContact CG-CD2 4.13Å; L469-L584 HydrophobicContact CG-CG 4.46Å
470	K	94.6	Very high	92.4	Very high	18 Å²	18	37.1 Å²	37.1	8%	0.078	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-44.8	175.9	-76.6	177.8	67.1	81.6	0	111.1	F398 D399 I437 V466 L467 A472 R473 R474	F398-K470 PolarHBondContact O-NZ 2.71Å; D399-K470 VanDerWaalsContact CA-NZ 3.33Å; D399-K470 PolarHBondContact O-NZ 3.46Å; D399-K470 IonicContact OD1-NZ 3.84Å; D399-K470 PolarHBondContact OD1-NZ 3.38Å; I437-K470 HydrophobicContact CD1-CD 4.1Å; I437-K470 HydrophobicContact CG1-CD 3.72Å; V466-K470 HydrophobicContact CG1-CD 4.21Å; V466-K470 HydrophobicContact CG1-CG 4.43Å; V466-K470 WeakPolarHBondContact O-CG 3.25Å; V466-K470 PolarHBondContact O-N 3.21Å; L467-K470 PolarHBondContact O-N 3.33Å; K470-A472 PolarHBondContact O-N 3.16Å; K470-R473 WeakPolarHBondContact O-CB 3.25Å; K470-R473 PolarHBondContact O-N 3.14Å; K470-R474 WeakPolarHBondContact O-CG 3.25Å; K470-R474 PolarHBondContact O-N 2.96Å
471	T	93.2	Very high	92.9	Very high	16 Å²	16	36.1 Å²	36.1	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-46.5	176.6	-59.8	0	0	0	0	111.3	L467 M468 L469 R473 R474 Y475 I482 I510	L467-T471 VanDerWaalsContact O-CB 3.26Å; L467-T471 WeakPolarHBondContact O-CB 3.48Å; L467-T471 PolarHBondContact O-N 3.37Å; L467-T471 PolarHBondContact O-OG1 3.34Å; M468-T471 PolarHBondContact O-N 2.82Å; L469-T471 VanDerWaalsContact C-N 3.34Å; L469-T471 PolarHBondContact O-N 3.42Å; T471-R473 VanDerWaalsContact C-N 3.31Å; T471-R473 PolarHBondContact O-N 2.95Å; T471-R474 PolarHBondContact O-N 3.37Å; T471-R474 VanDerWaalsContact O-N 3.1Å; T471-Y475 PolarHBondContact O-N 3.01Å; T471-I482 HydrophobicContact CG2-CD1 3.73Å; T471-I482 HydrophobicContact CG2-CG1 4.41Å; T471-I482 HydrophobicContact CG2-CG2 3.81Å; T471-I510 HydrophobicContact CG2-CG2 4.32Å
472	A	95.4	Very high	93.3	Very high	8 Å²	8	34.5 Å²	34.5	7%	0.066	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-34	177.6	0	0	0	0	0	113.1	M468 L469 K470 R474 Y475 F513 A514 L517	M468-A472 VanDerWaalsContact O-CB 3.31Å; M468-A472 WeakPolarHBondContact O-CB 3.28Å; M468-A472 PolarHBondContact O-N 3.11Å; L469-A472 PolarHBondContact O-N 2.95Å; K470-A472 PolarHBondContact O-N 3.16Å; A472-R474 PolarHBondContact O-N 3.3Å; A472-Y475 VanDerWaalsContact O-CB 3.27Å; A472-Y475 WeakPolarHBondContact O-CB 3.36Å; A472-Y475 PolarHBondContact O-N 3.34Å; A472-F513 HydrophobicContact CB-CD1 3.98Å; A472-F513 HydrophobicContact CB-CE1 3.95Å; A472-A514 HydrophobicContact CB-CB 3.93Å; A472-L517 HydrophobicContact CB-CD1 3.6Å
473	R	95.2	Very high	93.4	Very high	48 Å²	48	36.2 Å²	36.2	18%	0.181	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-28	174.6	-173.1	170.8	67.1	163.5	-13.6	112.7	D399 L469 K470 T471 Y475 N524 F527	D399-R473 IonicContact OD1-CZ 3.91Å; D399-R473 IonicContact OD1-NH2 2.96Å; D399-R473 PolarHBondContact OD1-NH2 3.02Å; D399-R473 IonicContact OD2-CZ 3Å; D399-R473 IonicContact OD2-NE 3.56Å; D399-R473 IonicContact OD2-NH2 2.87Å; D399-R473 PolarHBondContact OD2-NH2 3.47Å; L469-R473 PolarHBondContact O-N 3.43Å; K470-R473 WeakPolarHBondContact O-CB 3.25Å; K470-R473 PolarHBondContact O-N 3.14Å; T471-R473 VanDerWaalsContact C-N 3.31Å; T471-R473 PolarHBondContact O-N 2.95Å; R473-Y475 VanDerWaalsContact C-N 3.3Å; R473-N524 PolarHBondContact NH1-OD1 3.27Å; R473-F527 HydrophobicContact CB-CD1 4.15Å; R473-F527 HydrophobicContact CB-CD2 4.43Å; R473-F527 HydrophobicContact CB-CE1 3.85Å; R473-F527 HydrophobicContact CB-CE2 4.15Å; R473-F527 HydrophobicContact CB-CG 4.44Å; R473-F527 HydrophobicContact CB-CZ 3.85Å; R473-F527 HydrophobicContact CG-CD1 4.46Å; R473-F527 HydrophobicContact CG-CD2 3.96Å; R473-F527 HydrophobicContact CG-CE1 4.41Å; R473-F527 HydrophobicContact CG-CE2 3.91Å; R473-F527 HydrophobicContact CG-CG 4.25Å; R473-F527 HydrophobicContact CG-CZ 4.15Å
474	R	94.2	Very high	93.7	Very high	79 Å²	79	36.3 Å²	36.3	30%	0.298	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7.3	178.3	-62.2	-61.5	-65.5	-175.3	-4.9	113.8	K470 T471 A472 I482 V483	K470-R474 WeakPolarHBondContact O-CG 3.25Å; K470-R474 PolarHBondContact O-N 2.96Å; T471-R474 PolarHBondContact O-N 3.37Å; T471-R474 VanDerWaalsContact O-N 3.1Å; A472-R474 PolarHBondContact O-N 3.3Å; R474-I482 HydrophobicContact CB-CG2 4.39Å; R474-V483 WeakPolarHBondContact CB-O 3.31Å; R474-V483 PolarHBondContact NE-O 2.86Å; R474-V483 PolarHBondContact NH2-O 3.4Å; R474-V483 PolarHBondContact O-N 2.96Å
475	Y	96.4	Very high	93.7	Very high	26 Å²	26	34.8 Å²	34.8	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.6	177.6	175.2	-106.3	0	0	0	111.7	T471 A472 R473 A477 D480 T481 I482 F511 A514 K515 A518	T471-Y475 PolarHBondContact O-N 3.01Å; A472-Y475 VanDerWaalsContact O-CB 3.27Å; A472-Y475 WeakPolarHBondContact O-CB 3.36Å; A472-Y475 PolarHBondContact O-N 3.34Å; R473-Y475 VanDerWaalsContact C-N 3.3Å; Y475-A477 HydrophobicContact CE1-CB 3.97Å; Y475-D480 WeakPolarHBondContact CE2-OD1 3.37Å; Y475-D480 VanDerWaalsContact CZ-OD1 3.28Å; Y475-D480 PolarHBondContact OH-OD1 3.03Å; Y475-T481 WeakPolarHBondContact CD2-O 3.25Å; Y475-I482 HydrophobicContact CD2-CG1 4.1Å; Y475-F511 HydrophobicContact CD2-CD1 4.31Å; Y475-F511 AromaticContact CE2-CD1 3.89Å; Y475-F511 HydrophobicContact CE2-CD1 3.89Å; Y475-F511 HydrophobicContact CE2-CE1 4.28Å; Y475-A514 HydrophobicContact CD1-CB 4.12Å; Y475-A514 HydrophobicContact CD2-CB 4.13Å; Y475-A514 HydrophobicContact CG-CB 3.72Å; Y475-K515 HydrophobicContact CE1-CG 3.73Å; Y475-K515 WeakPolarHBondContact OH-CE 3.34Å; Y475-K515 VanDerWaalsContact OH-CG 3.27Å; Y475-K515 WeakPolarHBondContact OH-CG 3.42Å; Y475-A518 HydrophobicContact CD1-CB 4.11Å; Y475-A518 HydrophobicContact CE1-CB 4.36Å
476	D	94.7	Very high	93.6	Very high	59 Å²	59	34.8 Å²	34.8	32%	0.316	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.9	170.4	174	31.3	0	0	0	110.7	K478 S479 D480 T481	D476-K478 PolarHBondContact O-N 2.97Å; D476-K478 PolarHBondContact OD1-N 2.89Å; D476-S479 VanDerWaalsContact OD2-CB 3.27Å; D476-S479 WeakPolarHBondContact OD2-CB 3.32Å; D476-S479 PolarHBondContact OD2-N 3.29Å; D476-S479 VanDerWaalsContact OD2-N 3.1Å; D476-S479 PolarHBondContact OD2-OG 3.44Å; D476-D480 WeakPolarHBondContact O-CA 3.36Å; D476-D480 PolarHBondContact O-N 2.69Å; D476-T481 PolarHBondContact N-O 2.91Å; D476-T481 PolarHBondContact O-N 3.5Å
477	A	93.1	Very high	93.2	Very high	67 Å²	67	39.9 Å²	39.9	55%	0.554	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.1	179.4	0	0	0	0	0	113.8	Y475	Y475-A477 HydrophobicContact CE1-CB 3.97Å
478	K	93.2	Very high	92.9	Very high	201 Å²	201	46.1 Å²	46.1	87%	0.874	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-44.9	179.5	-68.7	-179.6	-179.3	176	0	111.7	D476	D476-K478 PolarHBondContact O-N 2.97Å; D476-K478 PolarHBondContact OD1-N 2.89Å
479	S	93.5	Very high	92.7	Very high	62 Å²	62	47.6 Å²	47.6	43%	0.434	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.6	-179.5	60.7	0	0	0	0	114.1	D476 T481	D476-S479 VanDerWaalsContact OD2-CB 3.27Å; D476-S479 WeakPolarHBondContact OD2-CB 3.32Å; D476-S479 PolarHBondContact OD2-N 3.29Å; D476-S479 VanDerWaalsContact OD2-N 3.1Å; D476-S479 PolarHBondContact OD2-OG 3.44Å; S479-T481 WeakPolarHBondContact O-CG2 3.5Å; S479-T481 PolarHBondContact O-N 3.25Å; S479-T481 PolarHBondContact OG-OG1 3.1Å
480	D	94.5	Very high	92.5	Very high	49 Å²	49	50.6 Å²	50.6	26%	0.262	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	44.4	-169.3	-160.6	21.9	0	0	0	111.6	Y475 D476 R495 F511 K515	Y475-D480 WeakPolarHBondContact CE2-OD1 3.37Å; Y475-D480 VanDerWaalsContact CZ-OD1 3.28Å; Y475-D480 PolarHBondContact OH-OD1 3.03Å; D476-D480 WeakPolarHBondContact O-CA 3.36Å; D476-D480 PolarHBondContact O-N 2.69Å; D480-R495 IonicContact OD2-NE 3.76Å; D480-F511 WeakPolarHBondContact O-CE1 3.44Å; D480-K515 WeakPolarHBondContact OD1-CE 3.3Å; D480-K515 IonicContact OD1-NZ 3.28Å; D480-K515 PolarHBondContact OD1-NZ 3.05Å; D480-K515 IonicContact OD2-NZ 3.99Å; D480-K515 PolarHBondContact OD2-NZ 3.12Å
481	T	95.4	Very high	92.3	Very high	15 Å²	15	52 Å²	52	9%	0.092	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.9	179.3	70.1	0	0	0	0	112.1	Y475 D476 S479 A492 Y493 N494	Y475-T481 WeakPolarHBondContact CD2-O 3.25Å; D476-T481 PolarHBondContact N-O 2.91Å; D476-T481 PolarHBondContact O-N 3.5Å; S479-T481 WeakPolarHBondContact O-CG2 3.5Å; S479-T481 PolarHBondContact O-N 3.25Å; S479-T481 PolarHBondContact OG-OG1 3.1Å; T481-A492 HydrophobicContact CG2-CB 4.48Å; T481-Y493 WeakPolarHBondContact CA-O 3.46Å; T481-Y493 WeakPolarHBondContact CB-O 3.16Å; T481-N494 HydrophobicContact CG2-CB 4.01Å
482	I	95.1	Very high	92.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.4	171.8	-64.4	164.4	0	0	0	107.7	T471 R474 Y475 L484 Y493 Y498 I510 F511	T471-I482 HydrophobicContact CG2-CD1 3.73Å; T471-I482 HydrophobicContact CG2-CG1 4.41Å; T471-I482 HydrophobicContact CG2-CG2 3.81Å; R474-I482 HydrophobicContact CB-CG2 4.39Å; Y475-I482 HydrophobicContact CD2-CG1 4.1Å; I482-L484 HydrophobicContact CG2-CD2 3.67Å; I482-L484 HydrophobicContact CG2-CG 4.03Å; I482-Y493 PolarHBondContact N-O 3.38Å; I482-Y493 PolarHBondContact O-N 3.29Å; I482-Y498 HydrophobicContact CB-CE2 4.33Å; I482-Y498 HydrophobicContact CD1-CE2 3.82Å; I482-I510 HydrophobicContact CD1-CG2 4.27Å; I482-F511 HydrophobicContact CD1-CD2 4.08Å; I482-F511 HydrophobicContact CD1-CE1 4.14Å; I482-F511 HydrophobicContact CD1-CE2 3.67Å; I482-F511 HydrophobicContact CD1-CZ 3.69Å; I482-F511 HydrophobicContact CG1-CE1 4.13Å; I482-F511 HydrophobicContact CG1-CE2 4.49Å; I482-F511 HydrophobicContact CG1-CZ 4.03Å
483	V	93.7	Very high	92.1	Very high	36 Å²	36	54.2 Å²	54.2	22%	0.218	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	101.8	-175.4	-175.3	0	0	0	0	110.5	R474 W491 A492	R474-V483 WeakPolarHBondContact CB-O 3.31Å; R474-V483 PolarHBondContact NE-O 2.86Å; R474-V483 PolarHBondContact NH2-O 3.4Å; R474-V483 PolarHBondContact O-N 2.96Å; V483-W491 WeakPolarHBondContact CA-O 3.34Å; V483-A492 HydrophobicContact CG2-CB 4.3Å
484	L	92.3	Very high	92	Very high	18 Å²	18	55.2 Å²	55.2	9%	0.094	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	154.9	-179.9	-53.9	178.6	0	0	0	111	L426 L429 I482 S490 W491 Y493	L426-L484 HydrophobicContact CD2-CD1 3.78Å; L429-L484 HydrophobicContact CD1-CB 3.87Å; L429-L484 HydrophobicContact CD1-CD1 3.91Å; I482-L484 HydrophobicContact CG2-CD2 3.67Å; I482-L484 HydrophobicContact CG2-CG 4.03Å; L484-S490 CarbonylContact O-C 3.56Å; L484-S490 WeakPolarHBondContact O-CA 3.43Å; L484-S490 WeakPolarHBondContact O-CB 3.42Å; L484-W491 PolarHBondContact N-O 2.93Å; L484-W491 PolarHBondContact O-N 2.9Å; L484-Y493 HydrophobicContact CB-CD2 4.28Å; L484-Y493 HydrophobicContact CB-CE2 3.97Å; L484-Y493 HydrophobicContact CD1-CD2 3.91Å; L484-Y493 HydrophobicContact CD1-CE2 3.87Å; L484-Y493 HydrophobicContact CG-CD2 4Å; L484-Y493 HydrophobicContact CG-CE2 4.1Å
485	G	88.7	Confident	91.9	Very high	4 Å²	4	53.1 Å²	53.1	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.3	-154.4	-174	0	0	0	0	0	111.9	V400 T489	V400-G485 WeakPolarHBondContact CG1-O 3.36Å; G485-T489 CarbonylContact C-O 3.57Å; G485-T489 WeakPolarHBondContact CA-O 3.48Å
486	N	89.3	Confident	91.5	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.048	32%	0.319	C	S	.	.			trans	-122.7	-166.5	-179.6	72	19.2	0	0	0	111.5	V400 P401 N403 L406 H488 T489 S490	V400-N486 HydrophobicContact CB-CB 4.02Å; V400-N486 HydrophobicContact CG2-CB 3.95Å; P401-N486 PolarHBondContact O-ND2 3.07Å; N403-N486 PolarHBondContact OD1-ND2 2.97Å; L406-N486 HydrophobicContact CD1-CB 3.96Å; L406-N486 VanDerWaalsContact CD1-CG 3.48Å; L406-N486 WeakPolarHBondContact CD1-ND2 3.31Å; N486-H488 VanDerWaalsContact C-N 3.32Å; N486-H488 PolarHBondContact O-N 3.49Å; N486-H488 PolarHBondContact OD1-N 2.88Å; N486-T489 PolarHBondContact N-O 3.32Å; N486-T489 PolarHBondContact OD1-N 3.45Å; N486-S490 WeakPolarHBondContact O-CB 3.24Å
487	S	84.4	Confident	91.1	Very high	107 Å²	107	54.8 Å²	54.8	75%	0.748	31%	0.31	S	S	*	.	S	Bend	trans	-65.9	-29.8	-179.6	47.5	0	0	0	0	114.2
488	H	86	Confident	90.9	Very high	140 Å²	140	51.9 Å²	51.9	65%	0.648	29%	0.285	S	S	*	.	S	Bend	trans	-94.1	-35.1	-175.6	-58.3	-75.9	0	0	0	112.5	N403 N486	N403-H488 PolarHBondContact ND2-CD2 2.91Å; N403-H488 PolarHBondContact OD1-CD2 3.41Å; N486-H488 VanDerWaalsContact C-N 3.32Å; N486-H488 PolarHBondContact O-N 3.49Å; N486-H488 PolarHBondContact OD1-N 2.88Å
489	T	89.3	Confident	90.5	Very high	37 Å²	37	47 Å²	47	23%	0.227	26%	0.261	C	S	.	.	S	Bend	trans	-133.3	103.3	-177.7	-47.6	0	0	0	0	108.3	L406 G485 N486 W491	L406-T489 WeakPolarHBondContact CD1-O 3.32Å; G485-T489 CarbonylContact C-O 3.57Å; G485-T489 WeakPolarHBondContact CA-O 3.48Å; N486-T489 PolarHBondContact N-O 3.32Å; N486-T489 PolarHBondContact OD1-N 3.45Å; T489-W491 HydrophobicContact CG2-CH2 3.37Å; T489-W491 HydrophobicContact CG2-CZ2 3.38Å; T489-W491 HydrophobicContact CG2-CZ3 4.09Å
490	S	90	Very high	90	Very high	64 Å²	64	48 Å²	48	45%	0.448	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.2	177.9	62.1	0	0	0	0	112.2	L484 N486	L484-S490 CarbonylContact O-C 3.56Å; L484-S490 WeakPolarHBondContact O-CA 3.43Å; L484-S490 WeakPolarHBondContact O-CB 3.42Å; N486-S490 WeakPolarHBondContact O-CB 3.24Å
491	W	91.5	Very high	89.2	Confident	46 Å²	46	45.8 Å²	45.8	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.6	179.3	-56.3	-87.7	0	0	0	109.8	L406 L409 H425 L429 V483 L484 T489 Y493	L406-W491 HydrophobicContact CB-CH2 4.5Å; L406-W491 HydrophobicContact CD2-CH2 4.38Å; L406-W491 HydrophobicContact CD2-CZ3 4.07Å; L409-W491 HydrophobicContact CB-CH2 4.44Å; L409-W491 HydrophobicContact CD2-CH2 4.41Å; L409-W491 HydrophobicContact CD2-CZ3 4.44Å; H425-W491 AromaticContact CE1-CD1 3.94Å; H425-W491 AromaticContact CE1-CD2 3.47Å; H425-W491 VanDerWaalsContact CE1-CD2 3.47Å; H425-W491 AromaticContact CE1-CE2 3.57Å; H425-W491 AromaticContact CE1-CE3 3.92Å; H425-W491 AromaticContact CE1-CG 3.71Å; H425-W491 AromaticContact CE1-NE1 3.85Å; H425-W491 AromaticContact NE2-CD2 3.71Å; H425-W491 AromaticContact NE2-CE2 3.84Å; H425-W491 AromaticContact NE2-CE3 3.69Å; H425-W491 AromaticContact NE2-CH2 3.9Å; H425-W491 AromaticContact NE2-CZ2 3.94Å; H425-W491 AromaticContact NE2-CZ3 3.79Å; L429-W491 HydrophobicContact CD1-CE3 4.41Å; L429-W491 HydrophobicContact CD2-CZ3 4.15Å; V483-W491 WeakPolarHBondContact CA-O 3.34Å; L484-W491 PolarHBondContact N-O 2.93Å; L484-W491 PolarHBondContact O-N 2.9Å; T489-W491 HydrophobicContact CG2-CH2 3.37Å; T489-W491 HydrophobicContact CG2-CZ2 3.38Å; T489-W491 HydrophobicContact CG2-CZ3 4.09Å; W491-Y493 HydrophobicContact CB-CD2 4.35Å; W491-Y493 HydrophobicContact CB-CE2 3.57Å; W491-Y493 WeakPolarHBondContact O-CD2 3.34Å
492	A	92.6	Very high	88.1	Confident	65 Å²	65	45.8 Å²	45.8	54%	0.537	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.9	177.7	0	0	0	0	0	110.1	T481 V483	T481-A492 HydrophobicContact CG2-CB 4.48Å; V483-A492 HydrophobicContact CG2-CB 4.3Å
493	Y	91.8	Very high	87.1	Confident	7 Å²	7	47 Å²	47	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.1	-179.7	-63.7	-87.7	0	0	0	110.1	H425 L426 L429 T481 I482 L484 W491 T497 Y498	H425-Y493 PolarHBondContact CE1-OH 3.3Å; H425-Y493 PolarHBondContact ND1-OH 3.22Å; H425-Y493 PolarHBondContact NE2-OH 2.93Å; L426-Y493 HydrophobicContact CD1-CD1 4.27Å; L426-Y493 HydrophobicContact CD1-CE1 4.37Å; L426-Y493 HydrophobicContact CD2-CD1 3.79Å; L426-Y493 HydrophobicContact CD2-CD2 4.14Å; L426-Y493 HydrophobicContact CD2-CE1 3.61Å; L426-Y493 HydrophobicContact CD2-CE2 3.96Å; L426-Y493 HydrophobicContact CD2-CG 4.04Å; L426-Y493 HydrophobicContact CG-CD1 4.2Å; L426-Y493 HydrophobicContact CG-CE1 3.87Å; L429-Y493 HydrophobicContact CD1-CE2 3.9Å; L429-Y493 VanDerWaalsContact CD1-OH 3.3Å; L429-Y493 WeakPolarHBondContact CD1-OH 3.34Å; T481-Y493 WeakPolarHBondContact CA-O 3.46Å; T481-Y493 WeakPolarHBondContact CB-O 3.16Å; I482-Y493 PolarHBondContact N-O 3.38Å; I482-Y493 PolarHBondContact O-N 3.29Å; L484-Y493 HydrophobicContact CB-CD2 4.28Å; L484-Y493 HydrophobicContact CB-CE2 3.97Å; L484-Y493 HydrophobicContact CD1-CD2 3.91Å; L484-Y493 HydrophobicContact CD1-CE2 3.87Å; L484-Y493 HydrophobicContact CG-CD2 4Å; L484-Y493 HydrophobicContact CG-CE2 4.1Å; W491-Y493 HydrophobicContact CB-CD2 4.35Å; W491-Y493 HydrophobicContact CB-CE2 3.57Å; W491-Y493 WeakPolarHBondContact O-CD2 3.34Å; Y493-T497 HydrophobicContact CD1-CG2 3.63Å; Y493-T497 HydrophobicContact CE1-CG2 4.25Å; Y493-Y498 HydrophobicContact CG-CE2 4.35Å
494	N	92.2	Very high	86.1	Confident	69 Å²	69	46.6 Å²	46.6	37%	0.369	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	170.4	171.4	63.2	38.4	0	0	0	111.1	T481 Q496 T497 Y498	T481-N494 HydrophobicContact CG2-CB 4.01Å; N494-Q496 PolarHBondContact O-N 3.29Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.44Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.4Å; N494-Q496 PolarHBondContact OD1-N 3.48Å; N494-T497 WeakPolarHBondContact O-CB 3.41Å; N494-T497 PolarHBondContact O-N 3.14Å; N494-T497 PolarHBondContact OD1-N 2.99Å; N494-T497 PolarHBondContact OD1-OG1 3.39Å; N494-Y498 PolarHBondContact O-N 3.27Å
495	R	91.8	Very high	85.2	Confident	34 Å²	34	51.4 Å²	51.4	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-53.5	-38.4	176.9	-70.1	-179.8	-167.3	-114	-0.9	113.2	D480 T497 Y498 R499 T507 D508 F511 E512	D480-R495 IonicContact OD2-NE 3.76Å; R495-T497 VanDerWaalsContact C-N 3.28Å; R495-T497 PolarHBondContact O-N 3.26Å; R495-Y498 PolarHBondContact O-N 2.9Å; R495-R499 WeakPolarHBondContact O-CG 3.36Å; R495-R499 PolarHBondContact O-N 3.24Å; R495-T507 HydrophobicContact CB-CG2 4.17Å; R495-T507 HydrophobicContact CG-CG2 4.38Å; R495-D508 IonicContact NH1-OD1 3.92Å; R495-D508 PolarHBondContact NH1-OD1 3.08Å; R495-F511 HydrophobicContact CB-CE2 4.47Å; R495-F511 HydrophobicContact CB-CZ 4.45Å; R495-F511 HydrophobicContact CG-CB 4.34Å; R495-F511 HydrophobicContact CG-CD1 3.62Å; R495-F511 HydrophobicContact CG-CD2 3.76Å; R495-F511 HydrophobicContact CG-CE1 3.73Å; R495-F511 HydrophobicContact CG-CE2 3.84Å; R495-F511 HydrophobicContact CG-CG 3.64Å; R495-F511 HydrophobicContact CG-CZ 3.83Å; R495-E512 IonicContact CZ-OE1 3.45Å; R495-E512 IonicContact NH1-OE1 2.98Å; R495-E512 PolarHBondContact NH1-OE1 2.98Å; R495-E512 IonicContact NH2-OE1 3.97Å; R495-E512 PolarHBondContact NH2-OE1 3.49Å
496	Q	88.1	Confident	84.8	Confident	99 Å²	99	51.7 Å²	51.7	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-35.6	-179.3	-173.3	60.5	17.7	0	0	111.7	N494 R499 Q500	N494-Q496 PolarHBondContact O-N 3.29Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.44Å; N494-Q496 WeakPolarHBondContact OD1-CB 3.4Å; N494-Q496 PolarHBondContact OD1-N 3.48Å; Q496-R499 PolarHBondContact O-N 3.14Å; Q496-Q500 WeakPolarHBondContact O-CB 3.35Å; Q496-Q500 VanDerWaalsContact O-CG 3.23Å; Q496-Q500 WeakPolarHBondContact O-CG 3.33Å; Q496-Q500 PolarHBondContact O-N 3.32Å
497	T	87.5	Confident	84.8	Confident	21 Å²	21	51.2 Å²	51.2	13%	0.129	29%	0.29	C	S	.	.	H	α-helix	trans	-68.7	-42.5	178.7	-46.3	0	0	0	0	110.8	N422 Y493 N494 R495 Q500 A501	N422-T497 HydrophobicContact CB-CG2 4.46Å; Y493-T497 HydrophobicContact CD1-CG2 3.63Å; Y493-T497 HydrophobicContact CE1-CG2 4.25Å; N494-T497 WeakPolarHBondContact O-CB 3.41Å; N494-T497 PolarHBondContact O-N 3.14Å; N494-T497 PolarHBondContact OD1-N 2.99Å; N494-T497 PolarHBondContact OD1-OG1 3.39Å; R495-T497 VanDerWaalsContact C-N 3.28Å; R495-T497 PolarHBondContact O-N 3.26Å; T497-Q500 PolarHBondContact O-N 3.1Å; T497-A501 WeakPolarHBondContact O-CB 3.39Å; T497-A501 PolarHBondContact O-N 2.91Å
498	Y	87.1	Confident	85	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.027	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-45.7	172.7	-90.3	-95.6	0	0	0	112.2	I482 Y493 N494 R495 Q500 A501 G502 W503 T507 F511	I482-Y498 HydrophobicContact CB-CE2 4.33Å; I482-Y498 HydrophobicContact CD1-CE2 3.82Å; Y493-Y498 HydrophobicContact CG-CE2 4.35Å; N494-Y498 PolarHBondContact O-N 3.27Å; R495-Y498 PolarHBondContact O-N 2.9Å; Y498-Q500 PolarHBondContact O-N 3.4Å; Y498-A501 CarbonylContact O-C 3.54Å; Y498-A501 PolarHBondContact O-N 3.5Å; Y498-G502 PolarHBondContact O-N 2.92Å; Y498-W503 HydrophobicContact CD1-CB 4.2Å; Y498-W503 AromaticContact CD1-CD2 3.82Å; Y498-W503 HydrophobicContact CD1-CD2 3.82Å; Y498-W503 HydrophobicContact CD1-CE3 4.28Å; Y498-W503 AromaticContact CD1-CG 3.76Å; Y498-W503 HydrophobicContact CD1-CG 3.76Å; Y498-W503 HydrophobicContact CE1-CD2 4.15Å; Y498-W503 HydrophobicContact CE1-CE3 4.41Å; Y498-W503 WeakPolarHBondContact O-CB 3.39Å; Y498-W503 PolarHBondContact O-N 3.46Å; Y498-W503 VanDerWaalsContact O-N 3.12Å; Y498-T507 VanDerWaalsContact CB-CG2 3.49Å; Y498-T507 HydrophobicContact CG-CG2 4.36Å; Y498-F511 AromaticContact CD2-CE2 3.66Å; Y498-F511 HydrophobicContact CD2-CE2 3.66Å; Y498-F511 AromaticContact CD2-CZ 3.95Å; Y498-F511 HydrophobicContact CD2-CZ 3.95Å; Y498-F511 HydrophobicContact CE2-CE2 4.05Å; Y498-F511 HydrophobicContact CE2-CZ 4.21Å; Y498-F511 HydrophobicContact CG-CE2 4.06Å
499	R	86.5	Confident	85.2	Confident	99 Å²	99	43.5 Å²	43.5	37%	0.374	25%	0.249	S	C	.	.	I	π-helix	trans	-60.7	-44	175.7	-72.4	-176.2	-176.4	130.1	-1.7	112.1	R495 Q496 A501 G502 T507 D508	R495-R499 WeakPolarHBondContact O-CG 3.36Å; R495-R499 PolarHBondContact O-N 3.24Å; Q496-R499 PolarHBondContact O-N 3.14Å; R499-A501 VanDerWaalsContact C-N 3.29Å; R499-A501 PolarHBondContact O-N 2.65Å; R499-G502 PolarHBondContact O-N 3.43Å; R499-G502 VanDerWaalsContact O-N 3.07Å; R499-T507 HydrophobicContact CG-CG2 4.12Å; R499-D508 IonicContact CZ-OD1 2.74Å; R499-D508 IonicContact CZ-OD2 3.34Å; R499-D508 IonicContact NE-OD2 3.97Å; R499-D508 IonicContact NH2-OD1 2.95Å; R499-D508 PolarHBondContact NH2-OD1 2.88Å; R499-D508 IonicContact NH2-OD2 3.48Å; R499-D508 PolarHBondContact NH2-OD2 2.72Å
500	Q	81.8	Confident	85.3	Confident	82 Å²	82	42.1 Å²	42.1	38%	0.383	24%	0.24	S	C	.	.	I	π-helix	trans	-63.5	-36.9	177.2	-75.8	171	-11	0	0	112	R419 Q496 T497 Y498 G502	R419-Q500 WeakPolarHBondContact CG-O 3.25Å; R419-Q500 PolarHBondContact NE-O 3.06Å; R419-Q500 VanDerWaalsContact NE-O 3.09Å; Q496-Q500 WeakPolarHBondContact O-CB 3.35Å; Q496-Q500 VanDerWaalsContact O-CG 3.23Å; Q496-Q500 WeakPolarHBondContact O-CG 3.33Å; Q496-Q500 PolarHBondContact O-N 3.32Å; T497-Q500 PolarHBondContact O-N 3.1Å; Y498-Q500 PolarHBondContact O-N 3.4Å; Q500-G502 PolarHBondContact O-N 2.96Å; Q500-G502 VanDerWaalsContact O-N 3.15Å
501	A	77.9	Confident	85.5	Confident	2 Å²	2	39 Å²	39	2%	0.017	22%	0.218	C	C	.	.	I	π-helix	trans	-71.7	5.4	174	0	0	0	0	0	113.9	N422 F423 L426 T497 Y498 R499	N422-A501 HydrophobicContact CB-CB 4.17Å; F423-A501 HydrophobicContact CB-CB 4.49Å; F423-A501 WeakPolarHBondContact CD2-O 3.28Å; L426-A501 HydrophobicContact CD1-CB 3.53Å; T497-A501 WeakPolarHBondContact O-CB 3.39Å; T497-A501 PolarHBondContact O-N 2.91Å; Y498-A501 CarbonylContact O-C 3.54Å; Y498-A501 PolarHBondContact O-N 3.5Å; R499-A501 VanDerWaalsContact C-N 3.29Å; R499-A501 PolarHBondContact O-N 2.65Å
502	G	73.2	Confident	85.6	Confident	15 Å²	15	41.5 Å²	41.5	16%	0.155	23%	0.232	C	C	.	.	I	π-helix	trans	89.6	3.2	174.1	0	0	0	0	0	114.9	Y498 R499 Q500 G504 L594	Y498-G502 PolarHBondContact O-N 2.92Å; R499-G502 PolarHBondContact O-N 3.43Å; R499-G502 VanDerWaalsContact O-N 3.07Å; Q500-G502 PolarHBondContact O-N 2.96Å; Q500-G502 VanDerWaalsContact O-N 3.15Å; G502-G504 PolarHBondContact O-N 3.48Å; G502-G504 VanDerWaalsContact O-N 3.15Å; G502-L594 VanDerWaalsContact O-CD1 3.23Å; G502-L594 WeakPolarHBondContact O-CD1 3.44Å
503	W	74	Confident	85.7	Confident	25 Å²	25	39 Å²	39	10%	0.095	21%	0.209	C	C	.	.	I	π-helix	trans	-70.3	-8.8	178.6	-69.5	68.4	0	0	0	114	M468 Y498 A506 T507 I510 H591 L594	M468-W503 HydrophobicContact CE-CZ3 4.25Å; Y498-W503 HydrophobicContact CD1-CB 4.2Å; Y498-W503 AromaticContact CD1-CD2 3.82Å; Y498-W503 HydrophobicContact CD1-CD2 3.82Å; Y498-W503 HydrophobicContact CD1-CE3 4.28Å; Y498-W503 AromaticContact CD1-CG 3.76Å; Y498-W503 HydrophobicContact CD1-CG 3.76Å; Y498-W503 HydrophobicContact CE1-CD2 4.15Å; Y498-W503 HydrophobicContact CE1-CE3 4.41Å; Y498-W503 WeakPolarHBondContact O-CB 3.39Å; Y498-W503 PolarHBondContact O-N 3.46Å; Y498-W503 VanDerWaalsContact O-N 3.12Å; W503-A506 PolarHBondContact O-N 3.36Å; W503-T507 WeakPolarHBondContact CB-OG1 3.14Å; W503-I510 HydrophobicContact CE3-CD1 3.49Å; W503-I510 VanDerWaalsContact CE3-CD1 3.49Å; W503-I510 HydrophobicContact CZ3-CD1 3.6Å; W503-H591 AromaticContact CH2-CD2 3.97Å; W503-H591 AromaticContact CH2-NE2 3.61Å; W503-H591 AromaticContact CZ3-CD2 3.51Å; W503-H591 AromaticContact CZ3-NE2 3.68Å; W503-L594 HydrophobicContact CB-CD2 4.15Å; W503-L594 HydrophobicContact CD2-CD2 3.95Å; W503-L594 HydrophobicContact CE3-CD2 3.7Å; W503-L594 HydrophobicContact CG-CD2 4.18Å; W503-L594 HydrophobicContact CZ3-CD2 4.4Å
504	G	72.4	Confident	85.9	Confident	28 Å²	28	38.7 Å²	38.7	29%	0.289	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-137.1	165	0	0	0	0	0	114	G502 A506 T507	G502-G504 PolarHBondContact O-N 3.48Å; G502-G504 VanDerWaalsContact O-N 3.15Å; G504-A506 VanDerWaalsContact C-N 3.32Å; G504-A506 PolarHBondContact O-N 2.99Å; G504-T507 WeakPolarHBondContact O-CB 3.22Å; G504-T507 PolarHBondContact O-N 3.34Å; G504-T507 PolarHBondContact O-OG1 3Å
505	P	73.5	Confident	86.1	Confident	119 Å²	119	38.4 Å²	38.4	77%	0.773	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.3	-179.7	-24.2	34.4	0	0	0	114.8	T507 D508	P505-T507 PolarHBondContact O-N 3.3Å; P505-T507 VanDerWaalsContact O-N 3.12Å; P505-D508 PolarHBondContact O-N 3.31Å
506	A	80.8	Confident	86.3	Confident	10 Å²	10	38.3 Å²	38.3	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-23.7	-179	0	0	0	0	0	112.6	W503 G504 D508 A509 I510 L594	W503-A506 PolarHBondContact O-N 3.36Å; G504-A506 VanDerWaalsContact C-N 3.32Å; G504-A506 PolarHBondContact O-N 2.99Å; A506-D508 VanDerWaalsContact C-N 3.26Å; A506-D508 PolarHBondContact O-N 3.14Å; A506-A509 PolarHBondContact O-N 3.33Å; A506-I510 VanDerWaalsContact O-CG1 3.28Å; A506-I510 WeakPolarHBondContact O-CG1 3.28Å; A506-I510 PolarHBondContact O-N 3.29Å; A506-L594 HydrophobicContact CB-CD2 4.34Å
507	T	88	Confident	86.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-52.2	-44.8	176.5	-53.6	0	0	0	0	112	R495 Y498 R499 W503 G504 P505 F511	R495-T507 HydrophobicContact CB-CG2 4.17Å; R495-T507 HydrophobicContact CG-CG2 4.38Å; Y498-T507 VanDerWaalsContact CB-CG2 3.49Å; Y498-T507 HydrophobicContact CG-CG2 4.36Å; R499-T507 HydrophobicContact CG-CG2 4.12Å; W503-T507 WeakPolarHBondContact CB-OG1 3.14Å; G504-T507 WeakPolarHBondContact O-CB 3.22Å; G504-T507 PolarHBondContact O-N 3.34Å; G504-T507 PolarHBondContact O-OG1 3Å; P505-T507 PolarHBondContact O-N 3.3Å; P505-T507 VanDerWaalsContact O-N 3.12Å; T507-F511 HydrophobicContact CG2-CD2 4.05Å; T507-F511 HydrophobicContact CG2-CE2 4.06Å; T507-F511 VanDerWaalsContact O-CD2 3.28Å; T507-F511 WeakPolarHBondContact O-CD2 3.46Å; T507-F511 PolarHBondContact O-N 2.85Å
508	D	89.6	Confident	87	Confident	58 Å²	58	34.5 Å²	34.5	31%	0.31	20%	0.195	S	C	.	.	H	α-helix	trans	-71	-39.9	-176.6	-73.8	-46.8	0	0	0	111.6	R495 R499 P505 A506 I510 F511 E512	R495-D508 IonicContact NH1-OD1 3.92Å; R495-D508 PolarHBondContact NH1-OD1 3.08Å; R499-D508 IonicContact CZ-OD1 2.74Å; R499-D508 IonicContact CZ-OD2 3.34Å; R499-D508 IonicContact NE-OD2 3.97Å; R499-D508 IonicContact NH2-OD1 2.95Å; R499-D508 PolarHBondContact NH2-OD1 2.88Å; R499-D508 IonicContact NH2-OD2 3.48Å; R499-D508 PolarHBondContact NH2-OD2 2.72Å; P505-D508 PolarHBondContact O-N 3.31Å; A506-D508 VanDerWaalsContact C-N 3.26Å; A506-D508 PolarHBondContact O-N 3.14Å; D508-I510 PolarHBondContact O-N 3.26Å; D508-F511 PolarHBondContact O-N 2.96Å; D508-E512 WeakPolarHBondContact O-CB 3.28Å; D508-E512 VanDerWaalsContact O-CG 3.3Å; D508-E512 WeakPolarHBondContact O-CG 3.19Å; D508-E512 PolarHBondContact O-N 3.12Å
509	A	90.3	Very high	87.3	Confident	26 Å²	26	43 Å²	43	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.1	0	0	0	0	0	112.1	A506 E512 F513 L587 E590	A506-A509 PolarHBondContact O-N 3.33Å; A509-E512 PolarHBondContact O-N 3.4Å; A509-F513 WeakPolarHBondContact O-CB 3.42Å; A509-F513 PolarHBondContact O-N 2.91Å; A509-L587 HydrophobicContact CB-CD2 3.52Å; A509-E590 WeakPolarHBondContact CB-OE2 3.42Å
510	I	91.1	Very high	87.7	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-49.5	177.7	-67.4	166.8	0	0	0	111.1	M468 T471 I482 W503 A506 D508 F513 A514	M468-I510 HydrophobicContact CE-CD1 4.03Å; M468-I510 HydrophobicContact CE-CG1 4.19Å; M468-I510 HydrophobicContact SD-CD1 4.12Å; M468-I510 HydrophobicContact SD-CG1 3.85Å; T471-I510 HydrophobicContact CG2-CG2 4.32Å; I482-I510 HydrophobicContact CD1-CG2 4.27Å; W503-I510 HydrophobicContact CE3-CD1 3.49Å; W503-I510 VanDerWaalsContact CE3-CD1 3.49Å; W503-I510 HydrophobicContact CZ3-CD1 3.6Å; A506-I510 VanDerWaalsContact O-CG1 3.28Å; A506-I510 WeakPolarHBondContact O-CG1 3.28Å; A506-I510 PolarHBondContact O-N 3.29Å; D508-I510 PolarHBondContact O-N 3.26Å; I510-F513 PolarHBondContact O-N 3.02Å; I510-A514 WeakPolarHBondContact O-CB 3.41Å; I510-A514 PolarHBondContact O-N 3.35Å
511	F	94.1	Very high	88.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-35	-179.2	-83.5	-106.3	0	0	0	112.4	Y475 D480 I482 R495 Y498 T507 D508 A514 K515	Y475-F511 HydrophobicContact CD2-CD1 4.31Å; Y475-F511 AromaticContact CE2-CD1 3.89Å; Y475-F511 HydrophobicContact CE2-CD1 3.89Å; Y475-F511 HydrophobicContact CE2-CE1 4.28Å; D480-F511 WeakPolarHBondContact O-CE1 3.44Å; I482-F511 HydrophobicContact CD1-CD2 4.08Å; I482-F511 HydrophobicContact CD1-CE1 4.14Å; I482-F511 HydrophobicContact CD1-CE2 3.67Å; I482-F511 HydrophobicContact CD1-CZ 3.69Å; I482-F511 HydrophobicContact CG1-CE1 4.13Å; I482-F511 HydrophobicContact CG1-CE2 4.49Å; I482-F511 HydrophobicContact CG1-CZ 4.03Å; R495-F511 HydrophobicContact CB-CE2 4.47Å; R495-F511 HydrophobicContact CB-CZ 4.45Å; R495-F511 HydrophobicContact CG-CB 4.34Å; R495-F511 HydrophobicContact CG-CD1 3.62Å; R495-F511 HydrophobicContact CG-CD2 3.76Å; R495-F511 HydrophobicContact CG-CE1 3.73Å; R495-F511 HydrophobicContact CG-CE2 3.84Å; R495-F511 HydrophobicContact CG-CG 3.64Å; R495-F511 HydrophobicContact CG-CZ 3.83Å; Y498-F511 AromaticContact CD2-CE2 3.66Å; Y498-F511 HydrophobicContact CD2-CE2 3.66Å; Y498-F511 AromaticContact CD2-CZ 3.95Å; Y498-F511 HydrophobicContact CD2-CZ 3.95Å; Y498-F511 HydrophobicContact CE2-CE2 4.05Å; Y498-F511 HydrophobicContact CE2-CZ 4.21Å; Y498-F511 HydrophobicContact CG-CE2 4.06Å; T507-F511 HydrophobicContact CG2-CD2 4.05Å; T507-F511 HydrophobicContact CG2-CE2 4.06Å; T507-F511 VanDerWaalsContact O-CD2 3.28Å; T507-F511 WeakPolarHBondContact O-CD2 3.46Å; T507-F511 PolarHBondContact O-N 2.85Å; D508-F511 PolarHBondContact O-N 2.96Å; F511-A514 PolarHBondContact O-N 3.24Å; F511-K515 WeakPolarHBondContact O-CB 3.31Å; F511-K515 VanDerWaalsContact O-CG 3.3Å; F511-K515 WeakPolarHBondContact O-CG 3.2Å; F511-K515 PolarHBondContact O-N 3.4Å
512	E	93.9	Very high	89	Confident	98 Å²	98	45.4 Å²	45.4	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-38	174.4	-71.8	-43.4	117.3	0	0	112	R495 D508 A509 K515 S516	R495-E512 IonicContact CZ-OE1 3.45Å; R495-E512 IonicContact NH1-OE1 2.98Å; R495-E512 PolarHBondContact NH1-OE1 2.98Å; R495-E512 IonicContact NH2-OE1 3.97Å; R495-E512 PolarHBondContact NH2-OE1 3.49Å; D508-E512 WeakPolarHBondContact O-CB 3.28Å; D508-E512 VanDerWaalsContact O-CG 3.3Å; D508-E512 WeakPolarHBondContact O-CG 3.19Å; D508-E512 PolarHBondContact O-N 3.12Å; A509-E512 PolarHBondContact O-N 3.4Å; E512-K515 PolarHBondContact O-N 2.87Å; E512-K515 IonicContact OE1-NZ 3.16Å; E512-S516 WeakPolarHBondContact O-CB 3.45Å; E512-S516 PolarHBondContact O-N 3.29Å
513	F	95.1	Very high	89.9	Confident	13 Å²	13	46.7 Å²	46.7	6%	0.057	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-47.5	171.9	178	-104.4	0	0	0	111.7	L469 A472 A509 I510 K515 S516 L517 K580 D583 L584 L587	L469-F513 HydrophobicContact CD2-CE1 4.28Å; L469-F513 HydrophobicContact CD2-CZ 4.03Å; A472-F513 HydrophobicContact CB-CD1 3.98Å; A472-F513 HydrophobicContact CB-CE1 3.95Å; A509-F513 WeakPolarHBondContact O-CB 3.42Å; A509-F513 PolarHBondContact O-N 2.91Å; I510-F513 PolarHBondContact O-N 3.02Å; F513-K515 PolarHBondContact O-N 2.8Å; F513-S516 WeakPolarHBondContact O-CB 3.43Å; F513-S516 PolarHBondContact O-N 3.46Å; F513-S516 VanDerWaalsContact O-N 3.1Å; F513-S516 PolarHBondContact O-OG 3.04Å; F513-L517 HydrophobicContact CD1-CD1 4.08Å; F513-L517 HydrophobicContact CE1-CD1 3.45Å; F513-L517 VanDerWaalsContact CE1-CD1 3.45Å; F513-L517 HydrophobicContact CE2-CD1 4.29Å; F513-L517 HydrophobicContact CZ-CD1 3.57Å; F513-L517 HydrophobicContact CZ-CG 4.36Å; F513-L517 PolarHBondContact O-N 3.35Å; F513-L517 VanDerWaalsContact O-N 3.14Å; F513-K580 HydrophobicContact CD2-CD 4.37Å; F513-K580 HydrophobicContact CE2-CB 4.22Å; F513-K580 HydrophobicContact CE2-CD 3.89Å; F513-D583 HydrophobicContact CD2-CB 3.94Å; F513-D583 HydrophobicContact CE2-CB 3.93Å; F513-L584 HydrophobicContact CE1-CD2 3.66Å; F513-L584 HydrophobicContact CE1-CG 4.44Å; F513-L584 HydrophobicContact CE2-CD2 4.12Å; F513-L584 HydrophobicContact CE2-CG 4.14Å; F513-L584 HydrophobicContact CZ-CD1 4.41Å; F513-L584 HydrophobicContact CZ-CD2 3.39Å; F513-L584 HydrophobicContact CZ-CG 3.69Å; F513-L587 HydrophobicContact CB-CD1 3.61Å; F513-L587 HydrophobicContact CD1-CD1 3.79Å; F513-L587 HydrophobicContact CD2-CD1 3.72Å; F513-L587 HydrophobicContact CE1-CD1 4.38Å; F513-L587 HydrophobicContact CE2-CD1 4.32Å; F513-L587 HydrophobicContact CG-CD1 3.42Å; F513-L587 VanDerWaalsContact CG-CD1 3.42Å
514	A	96	Very high	90.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-46.5	176.3	0	0	0	0	0	112.6	A472 Y475 I510 F511 S516 L517 A518	A472-A514 HydrophobicContact CB-CB 3.93Å; Y475-A514 HydrophobicContact CD1-CB 4.12Å; Y475-A514 HydrophobicContact CD2-CB 4.13Å; Y475-A514 HydrophobicContact CG-CB 3.72Å; I510-A514 WeakPolarHBondContact O-CB 3.41Å; I510-A514 PolarHBondContact O-N 3.35Å; F511-A514 PolarHBondContact O-N 3.24Å; A514-S516 VanDerWaalsContact C-N 3.26Å; A514-S516 PolarHBondContact O-N 3.27Å; A514-L517 PolarHBondContact O-N 3.08Å; A514-A518 PolarHBondContact O-N 3.03Å
515	K	95.7	Very high	91.8	Very high	63 Å²	63	47 Å²	47	27%	0.274	24%	0.241	S	C	.	.	H	α-helix	trans	-56.7	-40.1	173	-78	177.1	177.4	179.4	0	112	Y475 D480 F511 E512 F513 L517 A518 K519	Y475-K515 HydrophobicContact CE1-CG 3.73Å; Y475-K515 WeakPolarHBondContact OH-CE 3.34Å; Y475-K515 VanDerWaalsContact OH-CG 3.27Å; Y475-K515 WeakPolarHBondContact OH-CG 3.42Å; D480-K515 WeakPolarHBondContact OD1-CE 3.3Å; D480-K515 IonicContact OD1-NZ 3.28Å; D480-K515 PolarHBondContact OD1-NZ 3.05Å; D480-K515 IonicContact OD2-NZ 3.99Å; D480-K515 PolarHBondContact OD2-NZ 3.12Å; F511-K515 WeakPolarHBondContact O-CB 3.31Å; F511-K515 VanDerWaalsContact O-CG 3.3Å; F511-K515 WeakPolarHBondContact O-CG 3.2Å; F511-K515 PolarHBondContact O-N 3.4Å; E512-K515 PolarHBondContact O-N 2.87Å; E512-K515 IonicContact OE1-NZ 3.16Å; F513-K515 PolarHBondContact O-N 2.8Å; K515-L517 PolarHBondContact O-N 3.28Å; K515-A518 PolarHBondContact O-N 2.91Å; K515-K519 WeakPolarHBondContact O-CB 3.43Å; K515-K519 PolarHBondContact O-N 2.73Å
516	S	95.4	Very high	92.8	Very high	31 Å²	31	41.3 Å²	41.3	22%	0.217	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-37.8	-179	84.5	0	0	0	0	112.9	E512 F513 A514 M520 K580	E512-S516 WeakPolarHBondContact O-CB 3.45Å; E512-S516 PolarHBondContact O-N 3.29Å; F513-S516 WeakPolarHBondContact O-CB 3.43Å; F513-S516 PolarHBondContact O-N 3.46Å; F513-S516 VanDerWaalsContact O-N 3.1Å; F513-S516 PolarHBondContact O-OG 3.04Å; A514-S516 VanDerWaalsContact C-N 3.26Å; A514-S516 PolarHBondContact O-N 3.27Å; S516-M520 PolarHBondContact O-N 2.9Å; S516-K580 WeakPolarHBondContact OG-CE 3.12Å; S516-K580 PolarHBondContact OG-NZ 3.16Å
517	L	96	Very high	93.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-72.5	-43.6	174.9	-73.3	168.1	0	0	0	111.3	L469 A472 F513 A514 K515 K519 M520 R521 V522 F527 K580	L469-L517 HydrophobicContact CD2-CD1 4.21Å; A472-L517 HydrophobicContact CB-CD1 3.6Å; F513-L517 HydrophobicContact CD1-CD1 4.08Å; F513-L517 HydrophobicContact CE1-CD1 3.45Å; F513-L517 VanDerWaalsContact CE1-CD1 3.45Å; F513-L517 HydrophobicContact CE2-CD1 4.29Å; F513-L517 HydrophobicContact CZ-CD1 3.57Å; F513-L517 HydrophobicContact CZ-CG 4.36Å; F513-L517 PolarHBondContact O-N 3.35Å; F513-L517 VanDerWaalsContact O-N 3.14Å; A514-L517 PolarHBondContact O-N 3.08Å; K515-L517 PolarHBondContact O-N 3.28Å; L517-K519 VanDerWaalsContact C-N 3.31Å; L517-K519 PolarHBondContact O-N 3.24Å; L517-M520 CarbonylContact O-C 3.46Å; L517-M520 WeakPolarHBondContact O-CA 3.44Å; L517-M520 WeakPolarHBondContact O-CB 3.35Å; L517-M520 PolarHBondContact O-N 3.49Å; L517-R521 PolarHBondContact O-N 3.45Å; L517-R521 VanDerWaalsContact O-N 3.14Å; L517-V522 HydrophobicContact CB-CG2 4.34Å; L517-V522 HydrophobicContact CD2-CG2 3.73Å; L517-F527 HydrophobicContact CB-CZ 4.37Å; L517-F527 HydrophobicContact CD1-CE1 4.1Å; L517-F527 HydrophobicContact CD1-CZ 4.4Å; L517-K580 HydrophobicContact CD2-CB 4.33Å; L517-K580 HydrophobicContact CD2-CD 3.99Å; L517-K580 HydrophobicContact CD2-CG 3.83Å; L517-K580 HydrophobicContact CG-CD 4.3Å
518	A	95	Very high	94	Very high	40 Å²	40	41.5 Å²	41.5	33%	0.331	20%	0.203	S	C	.	.	H	α-helix	trans	-58.8	-41.6	175.5	0	0	0	0	0	112.1	Y475 A514 K515 M520 R521	Y475-A518 HydrophobicContact CD1-CB 4.11Å; Y475-A518 HydrophobicContact CE1-CB 4.36Å; A514-A518 PolarHBondContact O-N 3.03Å; K515-A518 PolarHBondContact O-N 2.91Å; A518-M520 VanDerWaalsContact C-N 3.25Å; A518-M520 PolarHBondContact O-N 2.87Å; A518-R521 PolarHBondContact O-N 2.73Å
519	K	94.1	Very high	94.4	Very high	184 Å²	184	38.8 Å²	38.8	80%	0.8	19%	0.188	S	C	*	.	H	α-helix	trans	-63.3	-30.6	174.7	-174.6	176.1	-179	177.3	0	112.8	K515 L517	K515-K519 WeakPolarHBondContact O-CB 3.43Å; K515-K519 PolarHBondContact O-N 2.73Å; L517-K519 VanDerWaalsContact C-N 3.31Å; L517-K519 PolarHBondContact O-N 3.24Å
520	M	93.2	Very high	94.7	Very high	11 Å²	11	37.5 Å²	37.5	5%	0.054	18%	0.178	C	C	.	.	H	α-helix	trans	-77.5	-12.4	175	-163.9	179.3	-51.4	0	0	112.5	S516 L517 A518 V522 R567 I573 R576 L577 K580	S516-M520 PolarHBondContact O-N 2.9Å; L517-M520 CarbonylContact O-C 3.46Å; L517-M520 WeakPolarHBondContact O-CA 3.44Å; L517-M520 WeakPolarHBondContact O-CB 3.35Å; L517-M520 PolarHBondContact O-N 3.49Å; A518-M520 VanDerWaalsContact C-N 3.25Å; A518-M520 PolarHBondContact O-N 2.87Å; M520-V522 VanDerWaalsContact C-N 3.32Å; M520-V522 HydrophobicContact CB-CG2 3.95Å; M520-V522 HydrophobicContact CG-CG2 4.17Å; M520-V522 HydrophobicContact SD-CG2 4.16Å; M520-R567 PolarHBondContact O-NH1 2.93Å; M520-I573 HydrophobicContact CG-CD1 3.27Å; M520-I573 HydrophobicContact CG-CG1 4.24Å; M520-I573 HydrophobicContact SD-CD1 3.69Å; M520-I573 HydrophobicContact SD-CG1 4.26Å; M520-R576 HydrophobicContact CE-CB 3.85Å; M520-R576 HydrophobicContact SD-CB 4.23Å; M520-L577 HydrophobicContact SD-CD2 3.51Å; M520-L577 VanDerWaalsContact SD-CD2 3.51Å; M520-L577 HydrophobicContact SD-CG 3.76Å; M520-K580 HydrophobicContact CE-CG 4.16Å
521	R	92.8	Very high	95	Very high	206 Å²	206	37.4 Å²	37.4	78%	0.777	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	47.1	-174.5	-57.8	-175.5	178.4	-175.7	-1.7	111.5	L517 A518 D523 R567	L517-R521 PolarHBondContact O-N 3.45Å; L517-R521 VanDerWaalsContact O-N 3.14Å; A518-R521 PolarHBondContact O-N 2.73Å; R521-D523 PolarHBondContact O-N 3.08Å; R521-R567 PolarHBondContact O-NH2 3.29Å
522	V	94.7	Very high	95.1	Very high	17 Å²	17	37.4 Å²	37.4	10%	0.103	18%	0.178	C	C	.	.			trans	-60.1	125.2	178.7	-173.9	0	0	0	0	109.4	L517 M520 E526 F527 L577	L517-V522 HydrophobicContact CB-CG2 4.34Å; L517-V522 HydrophobicContact CD2-CG2 3.73Å; M520-V522 VanDerWaalsContact C-N 3.32Å; M520-V522 HydrophobicContact CB-CG2 3.95Å; M520-V522 HydrophobicContact CG-CG2 4.17Å; M520-V522 HydrophobicContact SD-CG2 4.16Å; V522-E526 VanDerWaalsContact CA-OE2 3.25Å; V522-E526 WeakPolarHBondContact CA-OE2 3.49Å; V522-E526 HydrophobicContact CG1-CB 3.53Å; V522-F527 HydrophobicContact CB-CD2 3.97Å; V522-F527 HydrophobicContact CB-CE2 3.6Å; V522-F527 HydrophobicContact CB-CZ 4.02Å; V522-F527 HydrophobicContact CG1-CD1 4.33Å; V522-F527 HydrophobicContact CG1-CD2 3.56Å; V522-F527 HydrophobicContact CG1-CE1 4.46Å; V522-F527 HydrophobicContact CG1-CE2 3.72Å; V522-F527 HydrophobicContact CG1-CG 3.89Å; V522-F527 HydrophobicContact CG1-CZ 4.17Å; V522-F527 WeakPolarHBondContact O-CE2 3.28Å; V522-L577 HydrophobicContact CG1-CD2 4.04Å; V522-L577 HydrophobicContact CG2-CD2 3.69Å
523	D	92.6	Very high	95.3	Very high	43 Å²	43	32.9 Å²	32.9	23%	0.23	16%	0.157	C	C	.	.			trans	-88.7	172.3	-179.6	60.3	52.2	0	0	0	112.2	R521 A525 E526 F527 R567	R521-D523 PolarHBondContact O-N 3.08Å; D523-A525 VanDerWaalsContact C-N 3.25Å; D523-A525 PolarHBondContact O-N 3.17Å; D523-A525 WeakPolarHBondContact OD1-CB 3.33Å; D523-A525 PolarHBondContact OD1-N 3.48Å; D523-E526 PolarHBondContact N-OE2 2.87Å; D523-E526 PolarHBondContact O-N 3.39Å; D523-E526 WeakPolarHBondContact OD1-CB 3.23Å; D523-E526 VanDerWaalsContact OD1-CG 3.31Å; D523-E526 WeakPolarHBondContact OD1-CG 3.26Å; D523-E526 PolarHBondContact OD1-N 2.98Å; D523-F527 WeakPolarHBondContact O-CD2 3.32Å; D523-F527 PolarHBondContact O-N 3.06Å; D523-R567 IonicContact OD2-CZ 3.84Å; D523-R567 IonicContact OD2-NE 3.86Å; D523-R567 IonicContact OD2-NH2 3.16Å; D523-R567 PolarHBondContact OD2-NH2 2.89Å; D523-R567 VanDerWaalsContact OD2-NH2 3.16Å
524	N	92.1	Very high	95.4	Very high	54 Å²	54	32.3 Å²	32.3	29%	0.289	15%	0.154	S	C	.	.	H	α-helix	trans	-60.8	-35.3	-174.6	-166.4	50.2	0	0	0	112.9	Q395 R473 A528	Q395-N524 PolarHBondContact NE2-O 2.91Å; Q395-N524 VanDerWaalsContact NE2-O 3.1Å; Q395-N524 PolarHBondContact NE2-OD1 3.22Å; R473-N524 PolarHBondContact NH1-OD1 3.27Å; N524-A528 WeakPolarHBondContact O-CB 3.5Å; N524-A528 PolarHBondContact O-N 3.46Å
525	A	93.4	Very high	95.4	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-70.2	-46.3	178.9	0	0	0	0	0	111	L388 I392 D523 F527 A528 L529 Y562	L388-A525 HydrophobicContact CD1-CB 3.91Å; I392-A525 HydrophobicContact CD1-CB 4Å; D523-A525 VanDerWaalsContact C-N 3.25Å; D523-A525 PolarHBondContact O-N 3.17Å; D523-A525 WeakPolarHBondContact OD1-CB 3.33Å; D523-A525 PolarHBondContact OD1-N 3.48Å; A525-F527 VanDerWaalsContact C-N 3.35Å; A525-F527 PolarHBondContact O-N 3.14Å; A525-A528 PolarHBondContact O-N 2.98Å; A525-L529 WeakPolarHBondContact O-CG 3.27Å; A525-L529 PolarHBondContact O-N 3.23Å; A525-Y562 HydrophobicContact CB-CD2 4.48Å; A525-Y562 HydrophobicContact CB-CE1 3.85Å; A525-Y562 HydrophobicContact CB-CE2 3.81Å; A525-Y562 VanDerWaalsContact CB-CZ 3.46Å
526	E	95.7	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-42.6	174.6	-70.3	173.8	151.5	0	0	111.5	V522 D523 A528 L530 L559 Y562 R567 L577	V522-E526 VanDerWaalsContact CA-OE2 3.25Å; V522-E526 WeakPolarHBondContact CA-OE2 3.49Å; V522-E526 HydrophobicContact CG1-CB 3.53Å; D523-E526 PolarHBondContact N-OE2 2.87Å; D523-E526 PolarHBondContact O-N 3.39Å; D523-E526 WeakPolarHBondContact OD1-CB 3.23Å; D523-E526 VanDerWaalsContact OD1-CG 3.31Å; D523-E526 WeakPolarHBondContact OD1-CG 3.26Å; D523-E526 PolarHBondContact OD1-N 2.98Å; E526-A528 PolarHBondContact O-N 3.27Å; E526-L530 WeakPolarHBondContact O-CB 3.3Å; E526-L530 PolarHBondContact O-N 3.38Å; E526-L559 HydrophobicContact CB-CD1 4.47Å; E526-L559 HydrophobicContact CG-CD1 4.24Å; E526-Y562 HydrophobicContact CG-CD1 4.15Å; E526-Y562 HydrophobicContact CG-CE1 4.01Å; E526-R567 VanDerWaalsContact OE1-CD 3.32Å; E526-R567 WeakPolarHBondContact OE1-CD 3.39Å; E526-R567 IonicContact OE1-CZ 2.99Å; E526-R567 IonicContact OE1-NE 2.89Å; E526-R567 PolarHBondContact OE1-NE 3.49Å; E526-R567 IonicContact OE1-NH1 2.87Å; E526-R567 PolarHBondContact OE1-NH1 2.82Å; E526-R567 IonicContact OE1-NH2 3.99Å; E526-R567 PolarHBondContact OE1-NH2 3.31Å; E526-R567 IonicContact OE2-CZ 3.56Å; E526-R567 IonicContact OE2-NE 3.76Å; E526-R567 IonicContact OE2-NH1 3.4Å; E526-R567 PolarHBondContact OE2-NH1 3.15Å; E526-R567 IonicContact OE2-NH2 2.73Å; E526-R567 PolarHBondContact OE2-NH2 3.04Å; E526-L577 HydrophobicContact CB-CD1 4.46Å; E526-L577 HydrophobicContact CG-CD1 4.14Å
527	F	96.9	Very high	95.2	Very high	14 Å²	14	28 Å²	28	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-43.6	174.2	-91	-69.1	0	0	0	112.3	R473 L517 V522 D523 A525 L530 T531	R473-F527 HydrophobicContact CB-CD1 4.15Å; R473-F527 HydrophobicContact CB-CD2 4.43Å; R473-F527 HydrophobicContact CB-CE1 3.85Å; R473-F527 HydrophobicContact CB-CE2 4.15Å; R473-F527 HydrophobicContact CB-CG 4.44Å; R473-F527 HydrophobicContact CB-CZ 3.85Å; R473-F527 HydrophobicContact CG-CD1 4.46Å; R473-F527 HydrophobicContact CG-CD2 3.96Å; R473-F527 HydrophobicContact CG-CE1 4.41Å; R473-F527 HydrophobicContact CG-CE2 3.91Å; R473-F527 HydrophobicContact CG-CG 4.25Å; R473-F527 HydrophobicContact CG-CZ 4.15Å; L517-F527 HydrophobicContact CB-CZ 4.37Å; L517-F527 HydrophobicContact CD1-CE1 4.1Å; L517-F527 HydrophobicContact CD1-CZ 4.4Å; V522-F527 HydrophobicContact CB-CD2 3.97Å; V522-F527 HydrophobicContact CB-CE2 3.6Å; V522-F527 HydrophobicContact CB-CZ 4.02Å; V522-F527 HydrophobicContact CG1-CD1 4.33Å; V522-F527 HydrophobicContact CG1-CD2 3.56Å; V522-F527 HydrophobicContact CG1-CE1 4.46Å; V522-F527 HydrophobicContact CG1-CE2 3.72Å; V522-F527 HydrophobicContact CG1-CG 3.89Å; V522-F527 HydrophobicContact CG1-CZ 4.17Å; V522-F527 WeakPolarHBondContact O-CE2 3.28Å; D523-F527 WeakPolarHBondContact O-CD2 3.32Å; D523-F527 PolarHBondContact O-N 3.06Å; A525-F527 VanDerWaalsContact C-N 3.35Å; A525-F527 PolarHBondContact O-N 3.14Å; F527-L530 PolarHBondContact O-N 2.95Å; F527-T531 VanDerWaalsContact O-CB 3.31Å; F527-T531 WeakPolarHBondContact O-CB 3.3Å; F527-T531 PolarHBondContact O-N 2.59Å; F527-T531 PolarHBondContact O-OG1 2.73Å
528	A	96.5	Very high	94.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-45.8	-178.2	0	0	0	0	0	111.3	V391 I392 Q395 N524 A525 E526 T531 A532	V391-A528 HydrophobicContact CG1-CB 3.72Å; I392-A528 HydrophobicContact CG1-CB 4.3Å; Q395-A528 HydrophobicContact CB-CB 4.4Å; N524-A528 WeakPolarHBondContact O-CB 3.5Å; N524-A528 PolarHBondContact O-N 3.46Å; A525-A528 PolarHBondContact O-N 2.98Å; E526-A528 PolarHBondContact O-N 3.27Å; A528-T531 PolarHBondContact O-N 3.07Å; A528-A532 PolarHBondContact O-N 2.86Å
529	L	97.3	Very high	94.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.5	-42.6	177.2	-69	175	0	0	0	112	L388 A525 T531 A532 I533 Y555 T558 L559	L388-L529 HydrophobicContact CD1-CD1 3.87Å; L388-L529 HydrophobicContact CD1-CD2 4.41Å; L388-L529 HydrophobicContact CD1-CG 4.05Å; A525-L529 WeakPolarHBondContact O-CG 3.27Å; A525-L529 PolarHBondContact O-N 3.23Å; L529-T531 VanDerWaalsContact C-N 3.28Å; L529-T531 PolarHBondContact O-N 2.95Å; L529-A532 PolarHBondContact O-N 2.97Å; L529-I533 WeakPolarHBondContact O-CD1 2.97Å; L529-I533 WeakPolarHBondContact O-CG1 3.27Å; L529-I533 PolarHBondContact O-N 2.69Å; L529-Y555 HydrophobicContact CD2-CD1 4.11Å; L529-T558 HydrophobicContact CD1-CG2 4.21Å; L529-T558 HydrophobicContact CD2-CG2 4.13Å; L529-L559 HydrophobicContact CB-CB 4.18Å; L529-L559 HydrophobicContact CB-CD1 4.07Å; L529-L559 HydrophobicContact CD1-CB 3.9Å; L529-L559 HydrophobicContact CD1-CD1 3.93Å
530	L	97.2	Very high	94.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-38.5	177.6	-169.3	66.9	0	0	0	111.6	L469 E526 F527 I533 S534 L577 L581	L469-L530 HydrophobicContact CD2-CD2 3.9Å; E526-L530 WeakPolarHBondContact O-CB 3.3Å; E526-L530 PolarHBondContact O-N 3.38Å; F527-L530 PolarHBondContact O-N 2.95Å; L530-I533 PolarHBondContact O-N 2.86Å; L530-S534 PolarHBondContact O-N 3.47Å; L530-L577 WeakPolarHBondContact CD1-O 3.28Å; L530-L581 HydrophobicContact CD1-CD1 4.18Å; L530-L581 HydrophobicContact CD1-CD2 3.65Å; L530-L581 HydrophobicContact CD1-CG 3.8Å; L530-L581 HydrophobicContact CG-CD2 3.96Å
531	T	96.9	Very high	94	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-46.4	174.7	-55	0	0	0	0	111	F440 V466 F527 A528 L529 I533 S534 V535	F440-T531 HydrophobicContact CD1-CG2 4.5Å; F440-T531 HydrophobicContact CE1-CG2 3.69Å; F440-T531 HydrophobicContact CZ-CG2 4.24Å; V466-T531 HydrophobicContact CB-CG2 4.3Å; V466-T531 HydrophobicContact CG1-CG2 3.6Å; V466-T531 HydrophobicContact CG2-CG2 3.9Å; F527-T531 VanDerWaalsContact O-CB 3.31Å; F527-T531 WeakPolarHBondContact O-CB 3.3Å; F527-T531 PolarHBondContact O-N 2.59Å; F527-T531 PolarHBondContact O-OG1 2.73Å; A528-T531 PolarHBondContact O-N 3.07Å; L529-T531 VanDerWaalsContact C-N 3.28Å; L529-T531 PolarHBondContact O-N 2.95Å; T531-I533 VanDerWaalsContact C-N 3.33Å; T531-I533 PolarHBondContact O-N 3.43Å; T531-S534 WeakPolarHBondContact O-CB 3.16Å; T531-S534 PolarHBondContact O-N 3.44Å; T531-V535 WeakPolarHBondContact O-CG2 3.47Å; T531-V535 PolarHBondContact O-N 3.1Å
532	A	97.6	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-40.3	176.2	0	0	0	0	0	112.4	L444 A528 L529 S534 V535 F536 Y555	L444-A532 HydrophobicContact CD1-CB 4.25Å; L444-A532 HydrophobicContact CD2-CB 4.21Å; A528-A532 PolarHBondContact O-N 2.86Å; L529-A532 PolarHBondContact O-N 2.97Å; A532-S534 VanDerWaalsContact C-N 3.34Å; A532-S534 PolarHBondContact O-N 2.91Å; A532-V535 WeakPolarHBondContact O-CB 3.4Å; A532-V535 PolarHBondContact O-N 3.26Å; A532-F536 VanDerWaalsContact O-CD2 3.24Å; A532-F536 WeakPolarHBondContact O-CD2 3.38Å; A532-F536 PolarHBondContact O-N 3.39Å; A532-Y555 HydrophobicContact CB-CD1 3.5Å; A532-Y555 HydrophobicContact CB-CE1 3.58Å; A532-Y555 HydrophobicContact CB-CG 4.03Å
533	I	97.7	Very high	93.9	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-38	176.3	-64.4	162.9	0	0	0	111.3	L529 L530 T531 F536 S537 Q552 L559 L578 L581	L529-I533 WeakPolarHBondContact O-CD1 2.97Å; L529-I533 WeakPolarHBondContact O-CG1 3.27Å; L529-I533 PolarHBondContact O-N 2.69Å; L530-I533 PolarHBondContact O-N 2.86Å; T531-I533 VanDerWaalsContact C-N 3.33Å; T531-I533 PolarHBondContact O-N 3.43Å; I533-F536 CarbonylContact O-C 3.6Å; I533-S537 PolarHBondContact O-N 3.42Å; I533-S537 PolarHBondContact O-OG 3.26Å; I533-S537 VanDerWaalsContact O-OG 3.07Å; I533-Q552 HydrophobicContact CG2-CG 4.11Å; I533-Q552 PolarHBondContact O-NE2 3.35Å; I533-L559 HydrophobicContact CD1-CB 4.23Å; I533-L559 HydrophobicContact CD1-CD2 3.67Å; I533-L578 HydrophobicContact CD1-CD2 4.41Å; I533-L581 HydrophobicContact CB-CD1 4.38Å; I533-L581 HydrophobicContact CG2-CD1 3.54Å
534	S	95.9	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-36.8	174.4	170.5	0	0	0	0	112.5	E465 L530 T531 A532 S537 R539	E465-S534 WeakPolarHBondContact CB-OG 2.99Å; E465-S534 PolarHBondContact OE2-OG 3.45Å; L530-S534 PolarHBondContact O-N 3.47Å; T531-S534 WeakPolarHBondContact O-CB 3.16Å; T531-S534 PolarHBondContact O-N 3.44Å; A532-S534 VanDerWaalsContact C-N 3.34Å; A532-S534 PolarHBondContact O-N 2.91Å; S534-S537 PolarHBondContact O-OG 2.89Å; S534-R539 PolarHBondContact O-NH2 3.41Å
535	V	96.1	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-52.8	175.3	173.5	0	0	0	0	110.8	V441 L444 C462 V466 T531 A532 S537	V441-V535 HydrophobicContact CG1-CG1 3.79Å; V441-V535 HydrophobicContact CG2-CG1 3.98Å; V441-V535 HydrophobicContact CG2-CG2 3.71Å; L444-V535 HydrophobicContact CD1-CB 4.27Å; L444-V535 HydrophobicContact CD1-CG1 4.18Å; L444-V535 HydrophobicContact CD1-CG2 4.25Å; C462-V535 HydrophobicContact CB-CG2 4.32Å; V466-V535 HydrophobicContact CG2-CG2 3.88Å; T531-V535 WeakPolarHBondContact O-CG2 3.47Å; T531-V535 PolarHBondContact O-N 3.1Å; A532-V535 WeakPolarHBondContact O-CB 3.4Å; A532-V535 PolarHBondContact O-N 3.26Å; V535-S537 PolarHBondContact O-N 3.38Å
536	F	96.5	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	39.5	-179.8	-61.5	-70.1	0	0	0	113.1	L444 F447 L450 A532 I533 V548 I551 Q552 Y555	L444-F536 HydrophobicContact CB-CE2 4.14Å; L444-F536 HydrophobicContact CB-CZ 4.14Å; L444-F536 HydrophobicContact CD1-CE2 3.97Å; L444-F536 HydrophobicContact CD1-CZ 4.46Å; F447-F536 HydrophobicContact CB-CE1 4.25Å; F447-F536 HydrophobicContact CB-CZ 3.96Å; F447-F536 AromaticContact CD2-CE1 3.88Å; F447-F536 HydrophobicContact CD2-CE1 3.88Å; F447-F536 HydrophobicContact CD2-CZ 4.16Å; L450-F536 HydrophobicContact CD1-CD1 4.29Å; L450-F536 HydrophobicContact CD1-CE1 4.02Å; A532-F536 VanDerWaalsContact O-CD2 3.24Å; A532-F536 WeakPolarHBondContact O-CD2 3.38Å; A532-F536 PolarHBondContact O-N 3.39Å; I533-F536 CarbonylContact O-C 3.6Å; F536-V548 HydrophobicContact CB-CG1 4.23Å; F536-I551 HydrophobicContact CD1-CB 4.35Å; F536-I551 HydrophobicContact CD1-CG2 3.75Å; F536-I551 HydrophobicContact CD2-CG2 3.92Å; F536-I551 HydrophobicContact CE1-CD1 4.47Å; F536-I551 HydrophobicContact CE1-CG2 3.72Å; F536-I551 HydrophobicContact CE2-CG2 3.9Å; F536-I551 HydrophobicContact CG-CG2 3.85Å; F536-I551 HydrophobicContact CZ-CG2 3.79Å; F536-Q552 HydrophobicContact CB-CB 3.9Å; F536-Q552 HydrophobicContact CB-CG 4.11Å; F536-Q552 VanDerWaalsContact O-CB 3.25Å; F536-Q552 WeakPolarHBondContact O-CB 3.32Å; F536-Q552 WeakPolarHBondContact O-CG 3.34Å; F536-Q552 PolarHBondContact O-NE2 3.22Å; F536-Q552 VanDerWaalsContact O-NE2 3.08Å; F536-Q552 PolarHBondContact O-OE1 3.22Å; F536-Y555 AromaticContact CD2-CD2 3.81Å; F536-Y555 HydrophobicContact CD2-CD2 3.81Å; F536-Y555 AromaticContact CD2-CE2 3.55Å; F536-Y555 HydrophobicContact CD2-CE2 3.55Å; F536-Y555 HydrophobicContact CE2-CD2 4.06Å; F536-Y555 AromaticContact CE2-CE2 3.31Å; F536-Y555 HydrophobicContact CE2-CE2 3.31Å; F536-Y555 AromaticContact CE2-CZ 3.74Å; F536-Y555 HydrophobicContact CZ-CE2 4.24Å
537	S	91.5	Very high	94.3	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.035	21%	0.21	C	C	.	.			trans	-87.3	149.4	173.9	-69	0	0	0	0	111.8	I533 S534 V535 R539 Q552 R585	I533-S537 PolarHBondContact O-N 3.42Å; I533-S537 PolarHBondContact O-OG 3.26Å; I533-S537 VanDerWaalsContact O-OG 3.07Å; S534-S537 PolarHBondContact O-OG 2.89Å; V535-S537 PolarHBondContact O-N 3.38Å; S537-R539 WeakPolarHBondContact O-CG 3.02Å; S537-R539 PolarHBondContact O-N 3.29Å; S537-Q552 PolarHBondContact OG-NE2 2.72Å; S537-R585 PolarHBondContact OG-NH2 3.29Å
538	E	87.7	Confident	94.3	Very high	123 Å²	123	44.5 Å²	44.5	58%	0.575	21%	0.208	S	C	*	.			trans	-57.3	133.9	170.2	-168	-173.6	177.3	0	0	110.7
539	R	88.2	Confident	94.3	Very high	25 Å²	25	48.3 Å²	48.3	9%	0.094	23%	0.225	C	C	.	.			trans	-133.2	148.5	178.7	-54.6	-60.6	175	173.2	-4.1	109.9	L457 L458 A461 E465 S534 S537 L542	L457-R539 HydrophobicContact CD2-CB 3.4Å; L457-R539 VanDerWaalsContact CD2-CB 3.4Å; L457-R539 HydrophobicContact CD2-CG 3.93Å; L458-R539 HydrophobicContact CD2-CG 3.84Å; A461-R539 HydrophobicContact CB-CG 3.88Å; E465-R539 VanDerWaalsContact CD-NH2 3.29Å; E465-R539 IonicContact OE1-CZ 2.82Å; E465-R539 IonicContact OE1-NH1 3.82Å; E465-R539 PolarHBondContact OE1-NH1 3.12Å; E465-R539 IonicContact OE1-NH2 3.77Å; E465-R539 PolarHBondContact OE1-NH2 3.26Å; E465-R539 VanDerWaalsContact OE1-NH2 3.16Å; E465-R539 IonicContact OE2-CZ 2.92Å; E465-R539 IonicContact OE2-NH1 2.63Å; E465-R539 IonicContact OE2-NH2 3.69Å; E465-R539 PolarHBondContact OE2-NH2 3.22Å; S534-R539 PolarHBondContact O-NH2 3.41Å; S537-R539 WeakPolarHBondContact O-CG 3.02Å; S537-R539 PolarHBondContact O-N 3.29Å; R539-L542 HydrophobicContact CB-CD1 4.21Å; R539-L542 HydrophobicContact CB-CG 4.23Å; R539-L542 WeakPolarHBondContact O-CG 3.06Å
540	P	86.7	Confident	94.3	Very high	108 Å²	108	53.2 Å²	53.2	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	142.9	171.5	-20.5	31.9	0	0	0	111
541	R	89.9	Confident	94.2	Very high	165 Å²	165	54.2 Å²	54.2	62%	0.623	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	13.6	177.3	-47.3	173	-75.1	-173.3	-4	116	L457	L457-R541 HydrophobicContact CD1-CB 3.85Å; L457-R541 WeakPolarHBondContact CD1-O 3.44Å
542	L	92.1	Very high	94.3	Very high	21 Å²	21	56 Å²	56	11%	0.11	26%	0.264	C	S	.	.			trans	-63.6	136.9	166.4	-73.2	171.5	0	0	0	110.7	D454 L457 L458 R539 P545 V548	D454-L542 HydrophobicContact CB-CD2 3.93Å; D454-L542 WeakPolarHBondContact OD1-CA 3.47Å; L457-L542 HydrophobicContact CD2-CD2 4Å; L457-L542 HydrophobicContact CD2-CG 4.3Å; L458-L542 HydrophobicContact CD2-CD1 4.37Å; L458-L542 HydrophobicContact CD2-CD2 4.03Å; L458-L542 HydrophobicContact CG-CD2 4.05Å; R539-L542 HydrophobicContact CB-CD1 4.21Å; R539-L542 HydrophobicContact CB-CG 4.23Å; R539-L542 WeakPolarHBondContact O-CG 3.06Å; L542-P545 HydrophobicContact CB-CB 4.24Å; L542-P545 HydrophobicContact CD1-CB 4.48Å; L542-V548 HydrophobicContact CD1-CB 4.43Å; L542-V548 HydrophobicContact CD1-CG2 4.16Å; L542-V548 HydrophobicContact CD2-CG2 4.35Å
543	I	94.6	Very high	94.3	Very high	103 Å²	103	62.3 Å²	62.3	53%	0.528	29%	0.294	S	S	.	.	S	Bend	trans	-78.6	-45.6	175.8	-57.8	177.3	0	0	0	109.6	L451 E453 D454 P545	L451-I543 HydrophobicContact CD1-CB 4.08Å; L451-I543 HydrophobicContact CD1-CD1 4.29Å; L451-I543 HydrophobicContact CD1-CG2 3.76Å; E453-I543 HydrophobicContact CB-CD1 3.76Å; E453-I543 HydrophobicContact CG-CD1 4.14Å; D454-I543 PolarHBondContact OD1-N 3.31Å; D454-I543 PolarHBondContact OD2-N 3.24Å; I543-P545 VanDerWaalsContact C-CD 3.4Å; I543-P545 VanDerWaalsContact O-CD 3.26Å; I543-P545 WeakPolarHBondContact O-CD 3.5Å
544	E	94.3	Very high	94.2	Very high	70 Å²	70	65.8 Å²	65.8	33%	0.327	32%	0.315	S	S	.	.	S	Bend	trans	-115.6	64.5	179.4	-60.2	-167.3	120	0	0	112.9	L451 D454 R546 K547 V548	L451-E544 HydrophobicContact CD1-CG 3.94Å; D454-E544 PolarHBondContact OD2-N 2.73Å; E544-R546 VanDerWaalsContact C-N 3.33Å; E544-R546 PolarHBondContact O-N 2.9Å; E544-K547 HydrophobicContact CB-CB 4.05Å; E544-K547 HydrophobicContact CB-CD 4.42Å; E544-K547 PolarHBondContact O-N 3.34Å; E544-K547 VanDerWaalsContact O-N 3.14Å; E544-K547 WeakPolarHBondContact OE2-CD 3.39Å; E544-K547 IonicContact OE2-NZ 2.87Å; E544-K547 PolarHBondContact OE2-NZ 2.74Å; E544-V548 PolarHBondContact O-N 3.37Å
545	P	95	Very high	94.3	Very high	45 Å²	45	65.9 Å²	65.9	29%	0.292	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-40.1	-175.1	22.7	-33.2	0	0	0	113.5	L542 I543 K547 V548 E549	L542-P545 HydrophobicContact CB-CB 4.24Å; L542-P545 HydrophobicContact CD1-CB 4.48Å; I543-P545 VanDerWaalsContact C-CD 3.4Å; I543-P545 VanDerWaalsContact O-CD 3.26Å; I543-P545 WeakPolarHBondContact O-CD 3.5Å; P545-K547 VanDerWaalsContact C-N 3.28Å; P545-K547 PolarHBondContact O-N 2.54Å; P545-V548 WeakPolarHBondContact O-CB 3.42Å; P545-V548 PolarHBondContact O-N 2.89Å; P545-V548 VanDerWaalsContact O-N 3.1Å; P545-E549 WeakPolarHBondContact O-CG 3.4Å; P545-E549 PolarHBondContact O-N 2.98Å
546	R	96.1	Very high	94.3	Very high	197 Å²	197	67.5 Å²	67.5	74%	0.743	33%	0.325	S	S	*	.	H	α-helix	trans	-59.5	-37.7	178.7	-68.9	-176.3	179	-179.7	-0.9	113.2	E544 V548 E549 D550	E544-R546 VanDerWaalsContact C-N 3.33Å; E544-R546 PolarHBondContact O-N 2.9Å; R546-V548 VanDerWaalsContact C-N 3.31Å; R546-V548 PolarHBondContact O-N 3.41Å; R546-E549 WeakPolarHBondContact O-CB 3.38Å; R546-E549 PolarHBondContact O-N 3.18Å; R546-D550 PolarHBondContact O-N 2.89Å
547	K	95.6	Very high	94.3	Very high	63 Å²	63	69.6 Å²	69.6	27%	0.274	34%	0.34	S	S	.	.	H	α-helix	trans	-70.1	-33.8	179.7	-171.6	177.3	175.7	-179	0	111.4	T449 L450 E544 P545 I551	T449-K547 WeakPolarHBondContact O-CE 3.32Å; T449-K547 PolarHBondContact O-NZ 2.95Å; L450-K547 HydrophobicContact CD2-CB 4.35Å; L450-K547 HydrophobicContact CD2-CD 4.02Å; L450-K547 HydrophobicContact CD2-CG 3.91Å; E544-K547 HydrophobicContact CB-CB 4.05Å; E544-K547 HydrophobicContact CB-CD 4.42Å; E544-K547 PolarHBondContact O-N 3.34Å; E544-K547 VanDerWaalsContact O-N 3.14Å; E544-K547 WeakPolarHBondContact OE2-CD 3.39Å; E544-K547 IonicContact OE2-NZ 2.87Å; E544-K547 PolarHBondContact OE2-NZ 2.74Å; P545-K547 VanDerWaalsContact C-N 3.28Å; P545-K547 PolarHBondContact O-N 2.54Å; K547-I551 WeakPolarHBondContact O-CD1 3.37Å; K547-I551 VanDerWaalsContact O-CG1 3.26Å; K547-I551 WeakPolarHBondContact O-CG1 3.23Å; K547-I551 PolarHBondContact O-N 3.49Å
548	V	96.9	Very high	94.5	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-66	-43.8	172.2	-179.7	0	0	0	0	110.2	L450 L458 F536 L542 E544 P545 R546 I551 Q552	L450-V548 HydrophobicContact CD1-CG2 4.17Å; L450-V548 HydrophobicContact CD2-CG2 3.87Å; L458-V548 HydrophobicContact CD1-CG1 4.2Å; L458-V548 HydrophobicContact CD1-CG2 4.04Å; L458-V548 HydrophobicContact CD2-CG1 4.26Å; F536-V548 HydrophobicContact CB-CG1 4.23Å; L542-V548 HydrophobicContact CD1-CB 4.43Å; L542-V548 HydrophobicContact CD1-CG2 4.16Å; L542-V548 HydrophobicContact CD2-CG2 4.35Å; E544-V548 PolarHBondContact O-N 3.37Å; P545-V548 WeakPolarHBondContact O-CB 3.42Å; P545-V548 PolarHBondContact O-N 2.89Å; P545-V548 VanDerWaalsContact O-N 3.1Å; R546-V548 VanDerWaalsContact C-N 3.31Å; R546-V548 PolarHBondContact O-N 3.41Å; V548-I551 PolarHBondContact O-N 3.5Å; V548-Q552 WeakPolarHBondContact O-CB 3.17Å; V548-Q552 PolarHBondContact O-N 2.97Å
549	E	96.6	Very high	94.9	Very high	80 Å²	80	63.6 Å²	63.6	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-47.1	175.1	-69	166.9	-165.8	0	0	112.2	P545 R546 I551 Q552 E553	P545-E549 WeakPolarHBondContact O-CG 3.4Å; P545-E549 PolarHBondContact O-N 2.98Å; R546-E549 WeakPolarHBondContact O-CB 3.38Å; R546-E549 PolarHBondContact O-N 3.18Å; E549-I551 VanDerWaalsContact C-N 3.29Å; E549-I551 PolarHBondContact O-N 3.38Å; E549-Q552 WeakPolarHBondContact O-CB 3.42Å; E549-Q552 PolarHBondContact O-N 3.41Å; E549-Q552 VanDerWaalsContact O-N 3.07Å; E549-E553 PolarHBondContact O-N 2.84Å
550	D	96.7	Very high	95.2	Very high	102 Å²	102	66.2 Å²	66.2	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-42.6	178.1	-68.5	-24.3	0	0	0	111.2	R546	R546-D550 PolarHBondContact O-N 2.89Å
551	I	96.8	Very high	95.5	Very high	22 Å²	22	61.9 Å²	61.9	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-45.6	175.6	-65.8	166.1	0	0	0	110.2	L450 F536 K547 V548 E549 E553 V554 Y555	L450-I551 HydrophobicContact CD1-CD1 4.36Å; L450-I551 HydrophobicContact CD2-CD1 3.76Å; L450-I551 HydrophobicContact CG-CD1 3.99Å; F536-I551 HydrophobicContact CD1-CB 4.35Å; F536-I551 HydrophobicContact CD1-CG2 3.75Å; F536-I551 HydrophobicContact CD2-CG2 3.92Å; F536-I551 HydrophobicContact CE1-CD1 4.47Å; F536-I551 HydrophobicContact CE1-CG2 3.72Å; F536-I551 HydrophobicContact CE2-CG2 3.9Å; F536-I551 HydrophobicContact CG-CG2 3.85Å; F536-I551 HydrophobicContact CZ-CG2 3.79Å; K547-I551 WeakPolarHBondContact O-CD1 3.37Å; K547-I551 VanDerWaalsContact O-CG1 3.26Å; K547-I551 WeakPolarHBondContact O-CG1 3.23Å; K547-I551 PolarHBondContact O-N 3.49Å; V548-I551 PolarHBondContact O-N 3.5Å; E549-I551 VanDerWaalsContact C-N 3.29Å; E549-I551 PolarHBondContact O-N 3.38Å; I551-E553 VanDerWaalsContact C-N 3.28Å; I551-E553 PolarHBondContact O-N 3.24Å; I551-V554 WeakPolarHBondContact O-CB 3.33Å; I551-V554 PolarHBondContact O-N 2.84Å; I551-Y555 HydrophobicContact CG2-CD2 4.16Å; I551-Y555 HydrophobicContact CG2-CE2 3.71Å; I551-Y555 VanDerWaalsContact O-CD2 3.25Å; I551-Y555 WeakPolarHBondContact O-CD2 3.39Å
552	Q	97.6	Very high	95.6	Very high	42 Å²	42	55.4 Å²	55.4	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-36.7	-179.9	-162.5	-172.8	39.3	0	0	112.6	I533 F536 S537 V548 E549 V554 Y555 T556	I533-Q552 HydrophobicContact CG2-CG 4.11Å; I533-Q552 PolarHBondContact O-NE2 3.35Å; F536-Q552 HydrophobicContact CB-CB 3.9Å; F536-Q552 HydrophobicContact CB-CG 4.11Å; F536-Q552 VanDerWaalsContact O-CB 3.25Å; F536-Q552 WeakPolarHBondContact O-CB 3.32Å; F536-Q552 WeakPolarHBondContact O-CG 3.34Å; F536-Q552 PolarHBondContact O-NE2 3.22Å; F536-Q552 VanDerWaalsContact O-NE2 3.08Å; F536-Q552 PolarHBondContact O-OE1 3.22Å; S537-Q552 PolarHBondContact OG-NE2 2.72Å; V548-Q552 WeakPolarHBondContact O-CB 3.17Å; V548-Q552 PolarHBondContact O-N 2.97Å; E549-Q552 WeakPolarHBondContact O-CB 3.42Å; E549-Q552 PolarHBondContact O-N 3.41Å; E549-Q552 VanDerWaalsContact O-N 3.07Å; Q552-V554 VanDerWaalsContact C-N 3.29Å; Q552-V554 PolarHBondContact O-N 3.35Å; Q552-Y555 PolarHBondContact O-N 2.82Å; Q552-T556 WeakPolarHBondContact O-CB 3.21Å; Q552-T556 PolarHBondContact O-N 3.48Å; Q552-T556 PolarHBondContact O-OG1 2.77Å
553	E	97.1	Very high	95.6	Very high	134 Å²	134	54.5 Å²	54.5	63%	0.626	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-37.4	178.7	-171.6	176.4	-176.8	0	0	111.7	E549 I551 Y555 T556 S557	E549-E553 PolarHBondContact O-N 2.84Å; I551-E553 VanDerWaalsContact C-N 3.28Å; I551-E553 PolarHBondContact O-N 3.24Å; E553-Y555 PolarHBondContact O-N 3.24Å; E553-T556 PolarHBondContact O-N 3.24Å; E553-S557 VanDerWaalsContact O-CB 3.3Å; E553-S557 WeakPolarHBondContact O-CB 3.39Å; E553-S557 PolarHBondContact O-N 3.41Å; E553-S557 PolarHBondContact O-OG 3.38Å
554	V	96.8	Very high	95.4	Very high	75 Å²	75	54.9 Å²	54.9	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-42.9	176.4	-176.3	0	0	0	0	111.2	L387 I551 Q552 S557 T558	L387-V554 HydrophobicContact CD2-CG1 3.68Å; I551-V554 WeakPolarHBondContact O-CB 3.33Å; I551-V554 PolarHBondContact O-N 2.84Å; Q552-V554 VanDerWaalsContact C-N 3.29Å; Q552-V554 PolarHBondContact O-N 3.35Å; V554-S557 PolarHBondContact O-OG 2.85Å; V554-T558 WeakPolarHBondContact O-CB 3.38Å; V554-T558 PolarHBondContact O-N 2.9Å; V554-T558 VanDerWaalsContact O-N 3.08Å; V554-T558 PolarHBondContact O-OG1 3.43Å
555	Y	97.7	Very high	95	Very high	3 Å²	3	54 Å²	54	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-41.6	176.3	-71.5	-81	0	0	0	112.3	L387 V391 P445 L529 A532 F536 I551 Q552 E553 T558 L559	L387-Y555 HydrophobicContact CD1-CD1 4.48Å; L387-Y555 HydrophobicContact CD1-CE1 3.79Å; L387-Y555 HydrophobicContact CD2-CD1 4.25Å; L387-Y555 HydrophobicContact CD2-CE1 4.34Å; L387-Y555 HydrophobicContact CG-CE1 4.31Å; V391-Y555 HydrophobicContact CG2-CD1 4.47Å; V391-Y555 HydrophobicContact CG2-CE1 3.63Å; P445-Y555 WeakPolarHBondContact CD-OH 3.38Å; P445-Y555 PolarHBondContact O-OH 3.34Å; L529-Y555 HydrophobicContact CD2-CD1 4.11Å; A532-Y555 HydrophobicContact CB-CD1 3.5Å; A532-Y555 HydrophobicContact CB-CE1 3.58Å; A532-Y555 HydrophobicContact CB-CG 4.03Å; F536-Y555 AromaticContact CD2-CD2 3.81Å; F536-Y555 HydrophobicContact CD2-CD2 3.81Å; F536-Y555 AromaticContact CD2-CE2 3.55Å; F536-Y555 HydrophobicContact CD2-CE2 3.55Å; F536-Y555 HydrophobicContact CE2-CD2 4.06Å; F536-Y555 AromaticContact CE2-CE2 3.31Å; F536-Y555 HydrophobicContact CE2-CE2 3.31Å; F536-Y555 AromaticContact CE2-CZ 3.74Å; F536-Y555 HydrophobicContact CZ-CE2 4.24Å; I551-Y555 HydrophobicContact CG2-CD2 4.16Å; I551-Y555 HydrophobicContact CG2-CE2 3.71Å; I551-Y555 VanDerWaalsContact O-CD2 3.25Å; I551-Y555 WeakPolarHBondContact O-CD2 3.39Å; Q552-Y555 PolarHBondContact O-N 2.82Å; E553-Y555 PolarHBondContact O-N 3.24Å; Y555-T558 PolarHBondContact O-N 3.31Å; Y555-L559 PolarHBondContact O-N 3.07Å
556	T	96.9	Very high	94.6	Very high	33 Å²	33	56.9 Å²	56.9	20%	0.202	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-44.8	-179.3	-57.4	0	0	0	0	111.5	Q552 E553 T558 L559 Q560 F574	Q552-T556 WeakPolarHBondContact O-CB 3.21Å; Q552-T556 PolarHBondContact O-N 3.48Å; Q552-T556 PolarHBondContact O-OG1 2.77Å; E553-T556 PolarHBondContact O-N 3.24Å; T556-T558 VanDerWaalsContact C-N 3.35Å; T556-L559 PolarHBondContact O-N 3.45Å; T556-Q560 PolarHBondContact O-N 3.17Å; T556-F574 HydrophobicContact CG2-CE2 4.42Å; T556-F574 HydrophobicContact CG2-CZ 3.92Å
557	S	95.9	Very high	94	Very high	45 Å²	45	49.7 Å²	49.7	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-36.9	175.2	61.2	0	0	0	0	112.3	E553 V554 Q560 A561	E553-S557 VanDerWaalsContact O-CB 3.3Å; E553-S557 WeakPolarHBondContact O-CB 3.39Å; E553-S557 PolarHBondContact O-N 3.41Å; E553-S557 PolarHBondContact O-OG 3.38Å; V554-S557 PolarHBondContact O-OG 2.85Å; S557-Q560 PolarHBondContact O-N 2.98Å; S557-A561 WeakPolarHBondContact O-CB 3.17Å; S557-A561 PolarHBondContact O-N 2.9Å
558	T	96	Very high	92.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-42	174.1	-59.6	0	0	0	0	111.7	L380 Q384 L387 L529 V554 Y555 T556 A561 Y562	L380-T558 HydrophobicContact CD2-CG2 4.48Å; Q384-T558 HydrophobicContact CB-CG2 4.15Å; Q384-T558 HydrophobicContact CG-CG2 4.43Å; L387-T558 HydrophobicContact CD2-CG2 4.4Å; L529-T558 HydrophobicContact CD1-CG2 4.21Å; L529-T558 HydrophobicContact CD2-CG2 4.13Å; V554-T558 WeakPolarHBondContact O-CB 3.38Å; V554-T558 PolarHBondContact O-N 2.9Å; V554-T558 VanDerWaalsContact O-N 3.08Å; V554-T558 PolarHBondContact O-OG1 3.43Å; Y555-T558 PolarHBondContact O-N 3.31Å; T556-T558 VanDerWaalsContact C-N 3.35Å; T558-A561 PolarHBondContact O-N 3Å; T558-Y562 VanDerWaalsContact O-CB 3.31Å; T558-Y562 WeakPolarHBondContact O-CB 3.35Å; T558-Y562 PolarHBondContact O-N 3.49Å
559	L	95.6	Very high	91.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-43.5	174.3	179.1	61.1	0	0	0	111.5	E526 L529 I533 Y555 T556 Y562 V563 F574 L577 L578	E526-L559 HydrophobicContact CB-CD1 4.47Å; E526-L559 HydrophobicContact CG-CD1 4.24Å; L529-L559 HydrophobicContact CB-CB 4.18Å; L529-L559 HydrophobicContact CB-CD1 4.07Å; L529-L559 HydrophobicContact CD1-CB 3.9Å; L529-L559 HydrophobicContact CD1-CD1 3.93Å; I533-L559 HydrophobicContact CD1-CB 4.23Å; I533-L559 HydrophobicContact CD1-CD2 3.67Å; Y555-L559 PolarHBondContact O-N 3.07Å; T556-L559 PolarHBondContact O-N 3.45Å; L559-Y562 PolarHBondContact O-N 3.39Å; L559-V563 HydrophobicContact CD1-CG2 4.11Å; L559-V563 WeakPolarHBondContact O-CB 3.47Å; L559-V563 WeakPolarHBondContact O-CG2 3.45Å; L559-V563 PolarHBondContact O-N 2.99Å; L559-F574 HydrophobicContact CB-CE2 4.3Å; L559-F574 HydrophobicContact CD2-CD2 4.39Å; L559-F574 HydrophobicContact CD2-CE2 4.24Å; L559-F574 HydrophobicContact CG-CD2 4.12Å; L559-F574 HydrophobicContact CG-CE2 4.11Å; L559-L577 HydrophobicContact CD1-CD1 4.35Å; L559-L578 HydrophobicContact CD2-CD2 4.41Å
560	Q	94.6	Very high	90.6	Very high	81 Å²	81	60.7 Å²	60.7	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-51.7	176.5	-172.6	-179.7	-12.7	0	0	111.1	T556 S557 Y562 V563 E564 F574	T556-Q560 PolarHBondContact O-N 3.17Å; S557-Q560 PolarHBondContact O-N 2.98Å; Q560-Y562 VanDerWaalsContact C-N 3.33Å; Q560-Y562 PolarHBondContact O-N 3.33Å; Q560-V563 PolarHBondContact O-N 2.92Å; Q560-E564 HydrophobicContact CG-CG 4.5Å; Q560-E564 WeakPolarHBondContact CG-OE1 3.5Å; Q560-E564 PolarHBondContact NE2-OE1 3.32Å; Q560-E564 WeakPolarHBondContact O-CB 3.46Å; Q560-E564 VanDerWaalsContact O-CG 3.32Å; Q560-E564 WeakPolarHBondContact O-CG 3.39Å; Q560-E564 PolarHBondContact O-N 3.08Å; Q560-F574 HydrophobicContact CB-CD2 3.98Å; Q560-F574 HydrophobicContact CB-CE1 4.29Å; Q560-F574 HydrophobicContact CB-CE2 3.59Å; Q560-F574 HydrophobicContact CB-CG 4.48Å; Q560-F574 HydrophobicContact CB-CZ 3.75Å; Q560-F574 HydrophobicContact CG-CD1 4.32Å; Q560-F574 HydrophobicContact CG-CD2 4.38Å; Q560-F574 HydrophobicContact CG-CE1 4.22Å; Q560-F574 HydrophobicContact CG-CE2 4.29Å; Q560-F574 HydrophobicContact CG-CG 4.39Å; Q560-F574 HydrophobicContact CG-CZ 4.19Å
561	A	92.6	Very high	89.5	Confident	17 Å²	17	64 Å²	64	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-42.5	178.4	0	0	0	0	0	111.8	L380 S557 T558 V563 E564 V565	L380-A561 HydrophobicContact CD2-CB 3.98Å; S557-A561 WeakPolarHBondContact O-CB 3.17Å; S557-A561 PolarHBondContact O-N 2.9Å; T558-A561 PolarHBondContact O-N 3Å; A561-V563 PolarHBondContact O-N 3.38Å; A561-E564 PolarHBondContact O-N 2.9Å; A561-V565 VanDerWaalsContact O-CG2 3.27Å; A561-V565 WeakPolarHBondContact O-CG2 3.15Å; A561-V565 PolarHBondContact O-N 3.42Å; A561-V565 VanDerWaalsContact O-N 3.11Å
562	Y	93	Very high	89.1	Confident	28 Å²	28	68.5 Å²	68.5	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-59	-48.8	177	-178	-94	0	0	0	111.6	L380 L388 A525 E526 T558 L559 Q560 V565 H566	L380-Y562 HydrophobicContact CD1-CD2 4.21Å; L388-Y562 HydrophobicContact CD2-CD2 3.6Å; L388-Y562 HydrophobicContact CD2-CE2 3.79Å; A525-Y562 HydrophobicContact CB-CD2 4.48Å; A525-Y562 HydrophobicContact CB-CE1 3.85Å; A525-Y562 HydrophobicContact CB-CE2 3.81Å; A525-Y562 VanDerWaalsContact CB-CZ 3.46Å; E526-Y562 HydrophobicContact CG-CD1 4.15Å; E526-Y562 HydrophobicContact CG-CE1 4.01Å; T558-Y562 VanDerWaalsContact O-CB 3.31Å; T558-Y562 WeakPolarHBondContact O-CB 3.35Å; T558-Y562 PolarHBondContact O-N 3.49Å; L559-Y562 PolarHBondContact O-N 3.39Å; Q560-Y562 VanDerWaalsContact C-N 3.33Å; Q560-Y562 PolarHBondContact O-N 3.33Å; Y562-V565 PolarHBondContact O-N 2.92Å; Y562-H566 AromaticContact CD2-CE1 3.47Å; Y562-H566 VanDerWaalsContact CD2-CE1 3.47Å; Y562-H566 WeakPolarHBondContact CD2-CE1 3.44Å; Y562-H566 AromaticContact CD2-ND1 3.49Å; Y562-H566 WeakPolarHBondContact CD2-ND1 3.45Å; Y562-H566 HydrophobicContact CE1-CB 4.36Å; Y562-H566 AromaticContact CE2-CE1 3.22Å; Y562-H566 WeakPolarHBondContact CE2-CE1 3.2Å; Y562-H566 AromaticContact CE2-ND1 3.41Å; Y562-H566 WeakPolarHBondContact CE2-ND1 3.44Å; Y562-H566 AromaticContact CE2-NE2 3.71Å; Y562-H566 AromaticContact CG-ND1 3.84Å; Y562-H566 AromaticContact CZ-CE1 3.84Å; Y562-H566 AromaticContact CZ-CG 3.83Å; Y562-H566 AromaticContact CZ-ND1 3.68Å; Y562-H566 PolarHBondContact O-N 3.24Å; Y562-H566 PolarHBondContact O-ND1 3.09Å
563	V	92.2	Very high	88.8	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-43	179	162.5	0	0	0	0	111.7	L559 Q560 A561 V565 H566 R567 I573 F574 L577	L559-V563 HydrophobicContact CD1-CG2 4.11Å; L559-V563 WeakPolarHBondContact O-CB 3.47Å; L559-V563 WeakPolarHBondContact O-CG2 3.45Å; L559-V563 PolarHBondContact O-N 2.99Å; Q560-V563 PolarHBondContact O-N 2.92Å; A561-V563 PolarHBondContact O-N 3.38Å; V563-V565 VanDerWaalsContact C-N 3.28Å; V563-V565 PolarHBondContact O-N 3.06Å; V563-H566 PolarHBondContact O-N 2.87Å; V563-R567 HydrophobicContact CG1-CB 4.4Å; V563-R567 CarbonylContact O-C 3.58Å; V563-R567 VanDerWaalsContact O-CA 3.3Å; V563-R567 WeakPolarHBondContact O-CA 2.93Å; V563-R567 WeakPolarHBondContact O-CB 3.43Å; V563-R567 PolarHBondContact O-N 2.89Å; V563-I573 HydrophobicContact CB-CG2 4.33Å; V563-I573 HydrophobicContact CG1-CG2 3.14Å; V563-I573 HydrophobicContact CG2-CG2 4.29Å; V563-F574 HydrophobicContact CB-CB 4.49Å; V563-F574 HydrophobicContact CG1-CB 3.98Å; V563-L577 HydrophobicContact CG2-CD1 3.98Å
564	E	89.1	Confident	88.7	Confident	111 Å²	111	62 Å²	62	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-37.2	179.5	-75.1	175.8	-175.1	0	0	111.9	Q560 A561	Q560-E564 HydrophobicContact CG-CG 4.5Å; Q560-E564 WeakPolarHBondContact CG-OE1 3.5Å; Q560-E564 PolarHBondContact NE2-OE1 3.32Å; Q560-E564 WeakPolarHBondContact O-CB 3.46Å; Q560-E564 VanDerWaalsContact O-CG 3.32Å; Q560-E564 WeakPolarHBondContact O-CG 3.39Å; Q560-E564 PolarHBondContact O-N 3.08Å; A561-E564 PolarHBondContact O-N 2.9Å
565	V	86.7	Confident	88.5	Confident	51 Å²	51	61.1 Å²	61.1	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-73.3	-48.6	177.1	174.6	0	0	0	0	111.9	Y378 A561 Y562 V563	Y378-V565 WeakPolarHBondContact O-CG2 3.04Å; A561-V565 VanDerWaalsContact O-CG2 3.27Å; A561-V565 WeakPolarHBondContact O-CG2 3.15Å; A561-V565 PolarHBondContact O-N 3.42Å; A561-V565 VanDerWaalsContact O-N 3.11Å; Y562-V565 PolarHBondContact O-N 2.92Å; V563-V565 VanDerWaalsContact C-N 3.28Å; V563-V565 PolarHBondContact O-N 3.06Å
566	H	85.3	Confident	88.4	Confident	105 Å²	105	66.3 Å²	66.3	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-90.2	-24.8	-170.2	-63.9	81.4	0	0	0	113.8	Y562 V563	Y562-H566 AromaticContact CD2-CE1 3.47Å; Y562-H566 VanDerWaalsContact CD2-CE1 3.47Å; Y562-H566 WeakPolarHBondContact CD2-CE1 3.44Å; Y562-H566 AromaticContact CD2-ND1 3.49Å; Y562-H566 WeakPolarHBondContact CD2-ND1 3.45Å; Y562-H566 HydrophobicContact CE1-CB 4.36Å; Y562-H566 AromaticContact CE2-CE1 3.22Å; Y562-H566 WeakPolarHBondContact CE2-CE1 3.2Å; Y562-H566 AromaticContact CE2-ND1 3.41Å; Y562-H566 WeakPolarHBondContact CE2-ND1 3.44Å; Y562-H566 AromaticContact CE2-NE2 3.71Å; Y562-H566 AromaticContact CG-ND1 3.84Å; Y562-H566 AromaticContact CZ-CE1 3.84Å; Y562-H566 AromaticContact CZ-CG 3.83Å; Y562-H566 AromaticContact CZ-ND1 3.68Å; Y562-H566 PolarHBondContact O-N 3.24Å; Y562-H566 PolarHBondContact O-ND1 3.09Å; V563-H566 PolarHBondContact O-N 2.87Å
567	R	83.5	Confident	88.3	Confident	47 Å²	47	64.7 Å²	64.7	18%	0.177	32%	0.32	C	S	.	.			trans	-126	40.1	-175.1	-58.8	-170.3	174.7	-171.8	-3.2	112.3	M520 R521 D523 E526 V563 K569 N570 I573	M520-R567 PolarHBondContact O-NH1 2.93Å; R521-R567 PolarHBondContact O-NH2 3.29Å; D523-R567 IonicContact OD2-CZ 3.84Å; D523-R567 IonicContact OD2-NE 3.86Å; D523-R567 IonicContact OD2-NH2 3.16Å; D523-R567 PolarHBondContact OD2-NH2 2.89Å; D523-R567 VanDerWaalsContact OD2-NH2 3.16Å; E526-R567 VanDerWaalsContact OE1-CD 3.32Å; E526-R567 WeakPolarHBondContact OE1-CD 3.39Å; E526-R567 IonicContact OE1-CZ 2.99Å; E526-R567 IonicContact OE1-NE 2.89Å; E526-R567 PolarHBondContact OE1-NE 3.49Å; E526-R567 IonicContact OE1-NH1 2.87Å; E526-R567 PolarHBondContact OE1-NH1 2.82Å; E526-R567 IonicContact OE1-NH2 3.99Å; E526-R567 PolarHBondContact OE1-NH2 3.31Å; E526-R567 IonicContact OE2-CZ 3.56Å; E526-R567 IonicContact OE2-NE 3.76Å; E526-R567 IonicContact OE2-NH1 3.4Å; E526-R567 PolarHBondContact OE2-NH1 3.15Å; E526-R567 IonicContact OE2-NH2 2.73Å; E526-R567 PolarHBondContact OE2-NH2 3.04Å; V563-R567 HydrophobicContact CG1-CB 4.4Å; V563-R567 CarbonylContact O-C 3.58Å; V563-R567 VanDerWaalsContact O-CA 3.3Å; V563-R567 WeakPolarHBondContact O-CA 2.93Å; V563-R567 WeakPolarHBondContact O-CB 3.43Å; V563-R567 PolarHBondContact O-N 2.89Å; R567-K569 PolarHBondContact O-N 2.72Å; R567-N570 PolarHBondContact O-N 3.12Å; R567-I573 HydrophobicContact CB-CG2 4.01Å
568	S	70.5	Confident	88.4	Confident	82 Å²	82	64.9 Å²	64.9	57%	0.573	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-26.6	-178.4	61.1	0	0	0	0	115.2
569	K	73.6	Confident	88.3	Confident	207 Å²	207	70.1 Å²	70.1	90%	0.9	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-22.1	176.6	-65.5	-176.6	-179.6	177.7	0	114.3	R567	R567-K569 PolarHBondContact O-N 2.72Å
570	N	74.7	Confident	88.3	Confident	86 Å²	86	71.5 Å²	71.5	46%	0.46	35%	0.349	S	S	.	.			trans	-124	62.1	-168.2	-139.5	-2.2	0	0	0	110.8	R567 N572 I573	R567-N570 PolarHBondContact O-N 3.12Å; N570-N572 PolarHBondContact O-N 3.15Å; N570-I573 VanDerWaalsContact O-CB 3.24Å; N570-I573 WeakPolarHBondContact O-CB 3.33Å; N570-I573 WeakPolarHBondContact O-CG2 2.92Å; N570-I573 PolarHBondContact O-N 3.45Å
571	R	73.3	Confident	88.3	Confident	172 Å²	172	68.8 Å²	68.8	65%	0.649	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27	-172.2	-67.3	-171.3	171.8	-164.7	-2.8	115	S222 I573	S222-R571 PolarHBondContact OG-NH1 3.38Å; R571-I573 PolarHBondContact O-N 3.07Å
572	N	87.9	Confident	88.3	Confident	115 Å²	115	71.7 Å²	71.7	62%	0.615	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.5	180	-58.8	-27.6	0	0	0	113.2	N570 F574 A575 R576	N570-N572 PolarHBondContact O-N 3.15Å; N572-F574 VanDerWaalsContact C-N 3.32Å; N572-F574 PolarHBondContact O-N 3Å; N572-A575 PolarHBondContact O-N 3.45Å; N572-R576 VanDerWaalsContact O-CG 3.3Å; N572-R576 WeakPolarHBondContact O-CG 2.96Å; N572-R576 PolarHBondContact O-N 2.84Å
573	I	91.7	Very high	88.2	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-36.3	-176.3	-160.1	72.1	0	0	0	111.8	M520 V563 R567 N570 R571 R576 L577	M520-I573 HydrophobicContact CG-CD1 3.27Å; M520-I573 HydrophobicContact CG-CG1 4.24Å; M520-I573 HydrophobicContact SD-CD1 3.69Å; M520-I573 HydrophobicContact SD-CG1 4.26Å; V563-I573 HydrophobicContact CB-CG2 4.33Å; V563-I573 HydrophobicContact CG1-CG2 3.14Å; V563-I573 HydrophobicContact CG2-CG2 4.29Å; R567-I573 HydrophobicContact CB-CG2 4.01Å; N570-I573 VanDerWaalsContact O-CB 3.24Å; N570-I573 WeakPolarHBondContact O-CB 3.33Å; N570-I573 WeakPolarHBondContact O-CG2 2.92Å; N570-I573 PolarHBondContact O-N 3.45Å; R571-I573 PolarHBondContact O-N 3.07Å; I573-R576 PolarHBondContact O-N 3.42Å; I573-L577 HydrophobicContact CG1-CD1 4.5Å; I573-L577 VanDerWaalsContact O-CG 3.32Å; I573-L577 WeakPolarHBondContact O-CG 3.21Å; I573-L577 PolarHBondContact O-N 3.41Å
574	F	94.1	Very high	88.2	Confident	37 Å²	37	73 Å²	73	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-53.6	175.6	175.2	-110.8	0	0	0	111.5	T556 L559 Q560 V563 N572 R576 L577 L578	T556-F574 HydrophobicContact CG2-CE2 4.42Å; T556-F574 HydrophobicContact CG2-CZ 3.92Å; L559-F574 HydrophobicContact CB-CE2 4.3Å; L559-F574 HydrophobicContact CD2-CD2 4.39Å; L559-F574 HydrophobicContact CD2-CE2 4.24Å; L559-F574 HydrophobicContact CG-CD2 4.12Å; L559-F574 HydrophobicContact CG-CE2 4.11Å; Q560-F574 HydrophobicContact CB-CD2 3.98Å; Q560-F574 HydrophobicContact CB-CE1 4.29Å; Q560-F574 HydrophobicContact CB-CE2 3.59Å; Q560-F574 HydrophobicContact CB-CG 4.48Å; Q560-F574 HydrophobicContact CB-CZ 3.75Å; Q560-F574 HydrophobicContact CG-CD1 4.32Å; Q560-F574 HydrophobicContact CG-CD2 4.38Å; Q560-F574 HydrophobicContact CG-CE1 4.22Å; Q560-F574 HydrophobicContact CG-CE2 4.29Å; Q560-F574 HydrophobicContact CG-CG 4.39Å; Q560-F574 HydrophobicContact CG-CZ 4.19Å; V563-F574 HydrophobicContact CB-CB 4.49Å; V563-F574 HydrophobicContact CG1-CB 3.98Å; N572-F574 VanDerWaalsContact C-N 3.32Å; N572-F574 PolarHBondContact O-N 3Å; F574-R576 VanDerWaalsContact C-N 3.29Å; F574-R576 PolarHBondContact O-N 3.21Å; F574-L577 WeakPolarHBondContact O-CB 3.4Å; F574-L577 PolarHBondContact O-N 3.4Å; F574-L578 HydrophobicContact CD1-CD1 4.34Å; F574-L578 HydrophobicContact CE1-CD1 3.69Å; F574-L578 HydrophobicContact CE2-CD1 4.11Å; F574-L578 HydrophobicContact CE2-CG 4.32Å; F574-L578 HydrophobicContact CZ-CD1 3.56Å; F574-L578 HydrophobicContact CZ-CG 4.26Å; F574-L578 PolarHBondContact O-N 3.43Å
575	A	94.6	Very high	88.1	Confident	56 Å²	56	73 Å²	73	46%	0.463	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-39.7	176.9	0	0	0	0	0	112	N572 L578 M579	N572-A575 PolarHBondContact O-N 3.45Å; A575-L578 PolarHBondContact O-N 2.96Å; A575-M579 VanDerWaalsContact O-CG 3.31Å; A575-M579 WeakPolarHBondContact O-CG 3.45Å; A575-M579 PolarHBondContact O-N 2.9Å
576	R	94.8	Very high	88.1	Confident	112 Å²	112	74.4 Å²	74.4	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-35.3	177.5	-71.7	176.4	66.1	-153.6	-4	113.2	M520 N572 I573 F574 K580	M520-R576 HydrophobicContact CE-CB 3.85Å; M520-R576 HydrophobicContact SD-CB 4.23Å; N572-R576 VanDerWaalsContact O-CG 3.3Å; N572-R576 WeakPolarHBondContact O-CG 2.96Å; N572-R576 PolarHBondContact O-N 2.84Å; I573-R576 PolarHBondContact O-N 3.42Å; F574-R576 VanDerWaalsContact C-N 3.29Å; F574-R576 PolarHBondContact O-N 3.21Å; R576-K580 PolarHBondContact O-N 2.98Å
577	L	95.6	Very high	88.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-47	173.7	-74.1	166.4	0	0	0	110.2	M520 V522 E526 L530 L559 V563 I573 F574 M579 K580	M520-L577 HydrophobicContact SD-CD2 3.51Å; M520-L577 VanDerWaalsContact SD-CD2 3.51Å; M520-L577 HydrophobicContact SD-CG 3.76Å; V522-L577 HydrophobicContact CG1-CD2 4.04Å; V522-L577 HydrophobicContact CG2-CD2 3.69Å; E526-L577 HydrophobicContact CB-CD1 4.46Å; E526-L577 HydrophobicContact CG-CD1 4.14Å; L530-L577 WeakPolarHBondContact CD1-O 3.28Å; L559-L577 HydrophobicContact CD1-CD1 4.35Å; V563-L577 HydrophobicContact CG2-CD1 3.98Å; I573-L577 HydrophobicContact CG1-CD1 4.5Å; I573-L577 VanDerWaalsContact O-CG 3.32Å; I573-L577 WeakPolarHBondContact O-CG 3.21Å; I573-L577 PolarHBondContact O-N 3.41Å; F574-L577 WeakPolarHBondContact O-CB 3.4Å; F574-L577 PolarHBondContact O-N 3.4Å; L577-M579 VanDerWaalsContact C-N 3.33Å; L577-M579 PolarHBondContact O-N 3.28Å; L577-K580 VanDerWaalsContact O-CB 3.29Å; L577-K580 WeakPolarHBondContact O-CB 3.27Å; L577-K580 PolarHBondContact O-N 3.3Å
578	L	96.2	Very high	88.2	Confident	48 Å²	48	68.3 Å²	68.3	25%	0.251	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-38.6	177.2	-65.6	-177	0	0	0	112.7	I533 L559 F574 A575 K580 L581	I533-L578 HydrophobicContact CD1-CD2 4.41Å; L559-L578 HydrophobicContact CD2-CD2 4.41Å; F574-L578 HydrophobicContact CD1-CD1 4.34Å; F574-L578 HydrophobicContact CE1-CD1 3.69Å; F574-L578 HydrophobicContact CE2-CD1 4.11Å; F574-L578 HydrophobicContact CE2-CG 4.32Å; F574-L578 HydrophobicContact CZ-CD1 3.56Å; F574-L578 HydrophobicContact CZ-CG 4.26Å; F574-L578 PolarHBondContact O-N 3.43Å; A575-L578 PolarHBondContact O-N 2.96Å; L578-K580 PolarHBondContact O-N 3.02Å; L578-K580 VanDerWaalsContact O-N 3.15Å; L578-L581 HydrophobicContact CD2-CD1 4.29Å; L578-L581 VanDerWaalsContact O-CB 3.25Å; L578-L581 WeakPolarHBondContact O-CB 3.33Å; L578-L581 PolarHBondContact O-N 3.28Å
579	M	95.3	Very high	88.6	Confident	111 Å²	111	67.5 Å²	67.5	55%	0.547	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-23.1	175	-72.8	-55.4	-52.9	0	0	113.4	A575 L577 L581 T582 D583	A575-M579 VanDerWaalsContact O-CG 3.31Å; A575-M579 WeakPolarHBondContact O-CG 3.45Å; A575-M579 PolarHBondContact O-N 2.9Å; L577-M579 VanDerWaalsContact C-N 3.33Å; L577-M579 PolarHBondContact O-N 3.28Å; M579-L581 PolarHBondContact O-N 3.1Å; M579-T582 WeakPolarHBondContact O-CB 3.32Å; M579-T582 PolarHBondContact O-N 3.14Å; M579-T582 VanDerWaalsContact O-N 3.12Å; M579-D583 PolarHBondContact O-N 2.95Å
580	K	95.6	Very high	88.9	Confident	29 Å²	29	60.9 Å²	60.9	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-23.8	174.1	-66.9	-75.3	147.8	-156.8	0	112.4	F513 S516 L517 M520 R576 L577 L578 T582 D583 L584	F513-K580 HydrophobicContact CD2-CD 4.37Å; F513-K580 HydrophobicContact CE2-CB 4.22Å; F513-K580 HydrophobicContact CE2-CD 3.89Å; S516-K580 WeakPolarHBondContact OG-CE 3.12Å; S516-K580 PolarHBondContact OG-NZ 3.16Å; L517-K580 HydrophobicContact CD2-CB 4.33Å; L517-K580 HydrophobicContact CD2-CD 3.99Å; L517-K580 HydrophobicContact CD2-CG 3.83Å; L517-K580 HydrophobicContact CG-CD 4.3Å; M520-K580 HydrophobicContact CE-CG 4.16Å; R576-K580 PolarHBondContact O-N 2.98Å; L577-K580 VanDerWaalsContact O-CB 3.29Å; L577-K580 WeakPolarHBondContact O-CB 3.27Å; L577-K580 PolarHBondContact O-N 3.3Å; L578-K580 PolarHBondContact O-N 3.02Å; L578-K580 VanDerWaalsContact O-N 3.15Å; K580-T582 VanDerWaalsContact C-N 3.27Å; K580-T582 PolarHBondContact O-N 3.4Å; K580-D583 WeakPolarHBondContact CD-OD2 3.15Å; K580-D583 WeakPolarHBondContact CE-OD2 3.25Å; K580-D583 IonicContact NZ-OD2 2.95Å; K580-D583 PolarHBondContact NZ-OD2 3.2Å; K580-D583 PolarHBondContact O-N 2.92Å; K580-L584 WeakPolarHBondContact O-CG 3.3Å; K580-L584 PolarHBondContact O-N 3.37Å; K580-L584 VanDerWaalsContact O-N 3.08Å
581	L	94.1	Very high	89	Confident	24 Å²	24	57.3 Å²	57.3	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-67.1	-30.9	172.6	-58.6	177.3	0	0	0	111.7	L530 I533 L578 M579 L584 R585	L530-L581 HydrophobicContact CD1-CD1 4.18Å; L530-L581 HydrophobicContact CD1-CD2 3.65Å; L530-L581 HydrophobicContact CD1-CG 3.8Å; L530-L581 HydrophobicContact CG-CD2 3.96Å; I533-L581 HydrophobicContact CB-CD1 4.38Å; I533-L581 HydrophobicContact CG2-CD1 3.54Å; L578-L581 HydrophobicContact CD2-CD1 4.29Å; L578-L581 VanDerWaalsContact O-CB 3.25Å; L578-L581 WeakPolarHBondContact O-CB 3.33Å; L578-L581 PolarHBondContact O-N 3.28Å; M579-L581 PolarHBondContact O-N 3.1Å; L581-L584 HydrophobicContact CD2-CD1 3.95Å; L581-L584 WeakPolarHBondContact O-CB 3.47Å; L581-L584 PolarHBondContact O-N 2.63Å; L581-R585 PolarHBondContact O-N 3.49Å
582	T	92.5	Very high	88.9	Confident	78 Å²	78	51.6 Å²	51.6	48%	0.479	28%	0.28	S	S	.	.	H	α-helix	trans	-68.3	-44.6	173.6	-47.2	0	0	0	0	111	M579 K580 L584 R585 T586	M579-T582 WeakPolarHBondContact O-CB 3.32Å; M579-T582 PolarHBondContact O-N 3.14Å; M579-T582 VanDerWaalsContact O-N 3.12Å; K580-T582 VanDerWaalsContact C-N 3.27Å; K580-T582 PolarHBondContact O-N 3.4Å; T582-L584 PolarHBondContact O-N 2.87Å; T582-R585 WeakPolarHBondContact O-CB 3.45Å; T582-R585 PolarHBondContact O-N 2.93Å; T582-T586 PolarHBondContact O-N 2.9Å
583	D	92	Very high	88.1	Confident	60 Å²	60	52.3 Å²	52.3	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-58.1	-37.9	175.1	-60.8	-19.2	0	0	0	111.4	F513 M579 K580 R585 T586 L587	F513-D583 HydrophobicContact CD2-CB 3.94Å; F513-D583 HydrophobicContact CE2-CB 3.93Å; M579-D583 PolarHBondContact O-N 2.95Å; K580-D583 WeakPolarHBondContact CD-OD2 3.15Å; K580-D583 WeakPolarHBondContact CE-OD2 3.25Å; K580-D583 IonicContact NZ-OD2 2.95Å; K580-D583 PolarHBondContact NZ-OD2 3.2Å; K580-D583 PolarHBondContact O-N 2.92Å; D583-R585 VanDerWaalsContact C-N 3.31Å; D583-R585 PolarHBondContact O-N 3.37Å; D583-T586 PolarHBondContact O-N 3.04Å; D583-L587 WeakPolarHBondContact O-CG 3.3Å; D583-L587 PolarHBondContact O-N 2.85Å
584	L	91.3	Very high	87.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-33.7	176.1	-74.3	173	0	0	0	113.3	E465 M468 L469 F513 K580 L581 T582 L587 G588	E465-L584 HydrophobicContact CB-CB 4.45Å; E465-L584 HydrophobicContact CB-CD1 4.45Å; E465-L584 HydrophobicContact CG-CB 4.28Å; M468-L584 HydrophobicContact CB-CD2 3.74Å; L469-L584 HydrophobicContact CD1-CD1 3.65Å; L469-L584 HydrophobicContact CD2-CD1 3.92Å; L469-L584 HydrophobicContact CD2-CD2 4.49Å; L469-L584 HydrophobicContact CG-CD1 3.59Å; L469-L584 HydrophobicContact CG-CD2 4.13Å; L469-L584 HydrophobicContact CG-CG 4.46Å; F513-L584 HydrophobicContact CE1-CD2 3.66Å; F513-L584 HydrophobicContact CE1-CG 4.44Å; F513-L584 HydrophobicContact CE2-CD2 4.12Å; F513-L584 HydrophobicContact CE2-CG 4.14Å; F513-L584 HydrophobicContact CZ-CD1 4.41Å; F513-L584 HydrophobicContact CZ-CD2 3.39Å; F513-L584 HydrophobicContact CZ-CG 3.69Å; K580-L584 WeakPolarHBondContact O-CG 3.3Å; K580-L584 PolarHBondContact O-N 3.37Å; K580-L584 VanDerWaalsContact O-N 3.08Å; L581-L584 HydrophobicContact CD2-CD1 3.95Å; L581-L584 WeakPolarHBondContact O-CB 3.47Å; L581-L584 PolarHBondContact O-N 2.63Å; T582-L584 PolarHBondContact O-N 2.87Å; L584-L587 HydrophobicContact CD2-CD1 4.45Å; L584-L587 PolarHBondContact O-N 3.4Å; L584-G588 PolarHBondContact O-N 3.41Å
585	R	87.2	Confident	86	Confident	109 Å²	109	53 Å²	53	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-66	-41.2	176.7	-60.4	-54.1	177.2	86.7	-0.8	111.1	E465 S537 L581 T582 D583 G588 S589	E465-R585 WeakPolarHBondContact OE1-CD 3.4Å; E465-R585 IonicContact OE1-CZ 2.78Å; E465-R585 IonicContact OE1-NE 3.19Å; E465-R585 PolarHBondContact OE1-NE 3.23Å; E465-R585 IonicContact OE2-NE 2.76Å; S537-R585 PolarHBondContact OG-NH2 3.29Å; L581-R585 PolarHBondContact O-N 3.49Å; T582-R585 WeakPolarHBondContact O-CB 3.45Å; T582-R585 PolarHBondContact O-N 2.93Å; D583-R585 VanDerWaalsContact C-N 3.31Å; D583-R585 PolarHBondContact O-N 3.37Å; R585-G588 PolarHBondContact O-N 3.11Å; R585-S589 PolarHBondContact O-N 3.36Å; R585-S589 VanDerWaalsContact O-N 3.08Å
586	T	87.1	Confident	84.6	Confident	81 Å²	81	55.2 Å²	55.2	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-48.8	174.7	-50.3	0	0	0	0	111.1	T582 D583 G588 S589 E590	T582-T586 PolarHBondContact O-N 2.9Å; D583-T586 PolarHBondContact O-N 3.04Å; T586-G588 VanDerWaalsContact C-N 3.27Å; T586-G588 PolarHBondContact O-N 3.4Å; T586-S589 WeakPolarHBondContact O-CB 3.37Å; T586-S589 PolarHBondContact O-N 3.37Å; T586-S589 VanDerWaalsContact O-N 3.1Å; T586-E590 PolarHBondContact O-N 2.95Å
587	L	87	Confident	83.2	Confident	11 Å²	11	52.1 Å²	52.1	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-37.3	176.3	-73.1	169.8	0	0	0	112.7	A509 F513 D583 L584 S589 E590 H591	A509-L587 HydrophobicContact CB-CD2 3.52Å; F513-L587 HydrophobicContact CB-CD1 3.61Å; F513-L587 HydrophobicContact CD1-CD1 3.79Å; F513-L587 HydrophobicContact CD2-CD1 3.72Å; F513-L587 HydrophobicContact CE1-CD1 4.38Å; F513-L587 HydrophobicContact CE2-CD1 4.32Å; F513-L587 HydrophobicContact CG-CD1 3.42Å; F513-L587 VanDerWaalsContact CG-CD1 3.42Å; D583-L587 WeakPolarHBondContact O-CG 3.3Å; D583-L587 PolarHBondContact O-N 2.85Å; L584-L587 HydrophobicContact CD2-CD1 4.45Å; L584-L587 PolarHBondContact O-N 3.4Å; L587-S589 VanDerWaalsContact C-N 3.32Å; L587-E590 PolarHBondContact O-N 2.8Å; L587-H591 VanDerWaalsContact O-CB 3.24Å; L587-H591 WeakPolarHBondContact O-CB 3.34Å; L587-H591 PolarHBondContact O-N 3.46Å
588	G	82.6	Confident	81.7	Confident	13 Å²	13	53 Å²	53	13%	0.134	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-40	175.1	0	0	0	0	0	112.3	L584 R585 T586 A592	L584-G588 PolarHBondContact O-N 3.41Å; R585-G588 PolarHBondContact O-N 3.11Å; T586-G588 VanDerWaalsContact C-N 3.27Å; T586-G588 PolarHBondContact O-N 3.4Å; G588-A592 WeakPolarHBondContact O-CB 3.43Å; G588-A592 PolarHBondContact O-N 2.83Å
589	S	80.5	Confident	79.7	Confident	65 Å²	65	56.3 Å²	56.3	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-49.7	174.9	-165.5	0	0	0	0	111.7	R585 T586 L587 H591 A592 E593	R585-S589 PolarHBondContact O-N 3.36Å; R585-S589 VanDerWaalsContact O-N 3.08Å; T586-S589 WeakPolarHBondContact O-CB 3.37Å; T586-S589 PolarHBondContact O-N 3.37Å; T586-S589 VanDerWaalsContact O-N 3.1Å; L587-S589 VanDerWaalsContact C-N 3.32Å; S589-H591 VanDerWaalsContact C-N 3.28Å; S589-H591 PolarHBondContact O-N 3.44Å; S589-A592 WeakPolarHBondContact O-CB 3.4Å; S589-A592 PolarHBondContact O-N 3.38Å; S589-A592 VanDerWaalsContact O-N 3.1Å; S589-E593 PolarHBondContact O-N 3.01Å
590	E	78.5	Confident	77.4	Confident	68 Å²	68	55.3 Å²	55.3	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-39.3	177.6	-69	-179.8	-170	0	0	111.9	A509 T586 L587 E593 L594	A509-E590 WeakPolarHBondContact CB-OE2 3.42Å; T586-E590 PolarHBondContact O-N 2.95Å; L587-E590 PolarHBondContact O-N 2.8Å; E590-E593 PolarHBondContact O-N 2.91Å; E590-L594 WeakPolarHBondContact O-CB 3.46Å; E590-L594 PolarHBondContact O-N 2.88Å
591	H	76.3	Confident	75.5	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-37	175.9	-175	-101.5	0	0	0	112.2	M468 W503 L587 S589 L594 L595	M468-H591 HydrophobicContact CE-CB 3.83Å; W503-H591 AromaticContact CH2-CD2 3.97Å; W503-H591 AromaticContact CH2-NE2 3.61Å; W503-H591 AromaticContact CZ3-CD2 3.51Å; W503-H591 AromaticContact CZ3-NE2 3.68Å; L587-H591 VanDerWaalsContact O-CB 3.24Å; L587-H591 WeakPolarHBondContact O-CB 3.34Å; L587-H591 PolarHBondContact O-N 3.46Å; S589-H591 VanDerWaalsContact C-N 3.28Å; S589-H591 PolarHBondContact O-N 3.44Å; H591-L594 PolarHBondContact O-N 3.09Å; H591-L595 WeakPolarHBondContact O-CG 3.21Å; H591-L595 PolarHBondContact O-N 2.91Å
592	A	72.9	Confident	73.3	Confident	52 Å²	52	60.6 Å²	60.6	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-41.1	175.1	0	0	0	0	0	111.8	G588 S589 L595 F596	G588-A592 WeakPolarHBondContact O-CB 3.43Å; G588-A592 PolarHBondContact O-N 2.83Å; S589-A592 WeakPolarHBondContact O-CB 3.4Å; S589-A592 PolarHBondContact O-N 3.38Å; S589-A592 VanDerWaalsContact O-N 3.1Å; A592-L595 PolarHBondContact O-N 2.92Å; A592-F596 PolarHBondContact O-N 2.91Å
593	E	70.8	Confident	70.6	Confident	129 Å²	129	59 Å²	59	60%	0.603	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-42	173.5	-70.9	177.5	-169.4	0	0	112	S589 E590 F596 S597	S589-E593 PolarHBondContact O-N 3.01Å; E590-E593 PolarHBondContact O-N 2.91Å; E593-F596 WeakPolarHBondContact O-CB 3.42Å; E593-F596 PolarHBondContact O-N 3.33Å; E593-F596 VanDerWaalsContact O-N 3.16Å; E593-S597 PolarHBondContact O-N 2.98Å
594	L	72.3	Confident	68.2	Low	14 Å²	14	60.4 Å²	60.4	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-44.9	174.2	172.4	65.5	0	0	0	112.1	G502 W503 A506 E590 H591 F596 S597 L598	G502-L594 VanDerWaalsContact O-CD1 3.23Å; G502-L594 WeakPolarHBondContact O-CD1 3.44Å; W503-L594 HydrophobicContact CB-CD2 4.15Å; W503-L594 HydrophobicContact CD2-CD2 3.95Å; W503-L594 HydrophobicContact CE3-CD2 3.7Å; W503-L594 HydrophobicContact CG-CD2 4.18Å; W503-L594 HydrophobicContact CZ3-CD2 4.4Å; A506-L594 HydrophobicContact CB-CD2 4.34Å; E590-L594 WeakPolarHBondContact O-CB 3.46Å; E590-L594 PolarHBondContact O-N 2.88Å; H591-L594 PolarHBondContact O-N 3.09Å; L594-F596 PolarHBondContact O-N 3.23Å; L594-S597 PolarHBondContact O-N 2.79Å; L594-S597 PolarHBondContact O-OG 3.04Å; L594-L598 HydrophobicContact CD1-CD1 4.12Å; L594-L598 HydrophobicContact CD1-CG 4.15Å; L594-L598 HydrophobicContact CG-CD1 4.09Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.2Å
595	L	68.9	Low	65.8	Low	41 Å²	41	62.5 Å²	62.5	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-33.4	176.2	-72	177.8	0	0	0	111.6	W61 H591 A592 R599	W61-L595 HydrophobicContact CH2-CD2 3.94Å; W61-L595 HydrophobicContact CZ2-CD2 3.75Å; H591-L595 WeakPolarHBondContact O-CG 3.21Å; H591-L595 PolarHBondContact O-N 2.91Å; A592-L595 PolarHBondContact O-N 2.92Å; L595-R599 VanDerWaalsContact O-CG 3.28Å; L595-R599 WeakPolarHBondContact O-CG 3.13Å; L595-R599 PolarHBondContact O-N 2.87Å
596	F	64.9	Low	63.3	Low	103 Å²	103	57.7 Å²	57.7	45%	0.452	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	-44.1	174.3	-174.9	-94	0	0	0	112	L46 A592 E593 L594 R599 L600	L46-F596 HydrophobicContact CD1-CE2 4.42Å; L46-F596 HydrophobicContact CD1-CZ 4.45Å; A592-F596 PolarHBondContact O-N 2.91Å; E593-F596 WeakPolarHBondContact O-CB 3.42Å; E593-F596 PolarHBondContact O-N 3.33Å; E593-F596 VanDerWaalsContact O-N 3.16Å; L594-F596 PolarHBondContact O-N 3.23Å; F596-R599 WeakPolarHBondContact O-CB 3.23Å; F596-R599 PolarHBondContact O-N 3.38Å; F596-L600 PolarHBondContact O-N 2.74Å
597	S	66.2	Low	61	Low	47 Å²	47	58.6 Å²	58.6	33%	0.329	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-42.2	178.7	67.2	0	0	0	0	112.3	E593 L594 R599 L600 E601	E593-S597 PolarHBondContact O-N 2.98Å; L594-S597 PolarHBondContact O-N 2.79Å; L594-S597 PolarHBondContact O-OG 3.04Å; S597-R599 VanDerWaalsContact C-N 3.29Å; S597-R599 PolarHBondContact O-N 2.83Å; S597-L600 WeakPolarHBondContact O-CB 3.4Å; S597-L600 PolarHBondContact O-N 2.58Å; S597-E601 PolarHBondContact O-N 3.35Å
598	L	62.9	Low	58.7	Low	18 Å²	18	63.7 Å²	63.7	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-40.2	174.7	-70.5	170.2	0	0	0	111.4	F423 L594 L600 H602	F423-L598 HydrophobicContact CE2-CD1 3.93Å; F423-L598 HydrophobicContact CE2-CD2 4.36Å; F423-L598 HydrophobicContact CZ-CD1 4.49Å; L594-L598 HydrophobicContact CD1-CD1 4.12Å; L594-L598 HydrophobicContact CD1-CG 4.15Å; L594-L598 HydrophobicContact CG-CD1 4.09Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.2Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 3.1Å; L598-H602 PolarHBondContact O-CD2 3.48Å; L598-H602 VanDerWaalsContact O-CG 3.28Å; L598-H602 PolarHBondContact O-N 3.43Å
599	R	54.9	Low	56.8	Low	118 Å²	118	68.7 Å²	68.7	45%	0.445	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-39.9	173.4	-75.9	172.7	-177.8	169.8	2.9	112.2	L595 F596 S597 S603	L595-R599 VanDerWaalsContact O-CG 3.28Å; L595-R599 WeakPolarHBondContact O-CG 3.13Å; L595-R599 PolarHBondContact O-N 2.87Å; F596-R599 WeakPolarHBondContact O-CB 3.23Å; F596-R599 PolarHBondContact O-N 3.38Å; S597-R599 VanDerWaalsContact C-N 3.29Å; S597-R599 PolarHBondContact O-N 2.83Å; R599-S603 WeakPolarHBondContact O-CB 3.38Å; R599-S603 PolarHBondContact O-N 3.07Å; R599-S603 PolarHBondContact O-OG 3.2Å
600	L	46.7	Very low	55	Low	89 Å²	89	69 Å²	69	47%	0.466	36%	0.358	S	S	.	.	H	α-helix	trans	-68	-46.4	179.1	-155.7	86.2	0	0	0	111.4	F596 S597 L598 H602 S603 I604	F596-L600 PolarHBondContact O-N 2.74Å; S597-L600 WeakPolarHBondContact O-CB 3.4Å; S597-L600 PolarHBondContact O-N 2.58Å; L598-L600 VanDerWaalsContact C-N 3.32Å; L598-L600 PolarHBondContact O-N 3.1Å; L600-H602 VanDerWaalsContact C-N 3.29Å; L600-H602 PolarHBondContact O-N 3.43Å; L600-S603 WeakPolarHBondContact O-CB 3.47Å; L600-S603 PolarHBondContact O-N 3.48Å; L600-S603 VanDerWaalsContact O-N 3.09Å; L600-I604 HydrophobicContact CD2-CD1 4.41Å; L600-I604 HydrophobicContact CG-CD1 4.41Å; L600-I604 WeakPolarHBondContact O-CG1 3.43Å; L600-I604 PolarHBondContact O-N 3.37Å
601	E	55.3	Low	53.4	Low	110 Å²	110	71.6 Å²	71.6	51%	0.514	37%	0.37	S	S	.	.	H	α-helix	trans	-58.1	-42.6	176.9	-74.5	-176.2	-178.9	0	0	111.4	S597 I604 A605	S597-E601 PolarHBondContact O-N 3.35Å; E601-I604 PolarHBondContact O-N 3.33Å; E601-A605 WeakPolarHBondContact O-CB 3.47Å; E601-A605 PolarHBondContact O-N 3.41Å
602	H	49.3	Very low	51.9	Low	55 Å²	55	75.7 Å²	75.7	26%	0.255	39%	0.392	S	S	.	.	H	α-helix	trans	-67.4	-39	175.2	-67	-43.4	0	0	0	112.4	L57 L598 L600 I604 A605 S606	L57-H602 WeakPolarHBondContact CD1-CE1 3.35Å; L57-H602 WeakPolarHBondContact CD1-ND1 3.48Å; L598-H602 PolarHBondContact O-CD2 3.48Å; L598-H602 VanDerWaalsContact O-CG 3.28Å; L598-H602 PolarHBondContact O-N 3.43Å; L600-H602 VanDerWaalsContact C-N 3.29Å; L600-H602 PolarHBondContact O-N 3.43Å; H602-I604 VanDerWaalsContact C-N 3.31Å; H602-I604 PolarHBondContact O-N 2.87Å; H602-A605 PolarHBondContact O-N 2.84Å; H602-S606 PolarHBondContact O-N 3.4Å; H602-S606 PolarHBondContact O-OG 3.33Å
603	S	35.6	Very low	50.5	Low	44 Å²	44	76.3 Å²	76.3	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-61.6	-39.9	175.5	-56.6	0	0	0	0	111.8	R599 L600 V607	R599-S603 WeakPolarHBondContact O-CB 3.38Å; R599-S603 PolarHBondContact O-N 3.07Å; R599-S603 PolarHBondContact O-OG 3.2Å; L600-S603 WeakPolarHBondContact O-CB 3.47Å; L600-S603 PolarHBondContact O-N 3.48Å; L600-S603 VanDerWaalsContact O-N 3.09Å; S603-V607 VanDerWaalsContact O-CG2 3.32Å; S603-V607 WeakPolarHBondContact O-CG2 3.4Å; S603-V607 PolarHBondContact O-N 2.87Å
604	I	40.6	Very low	49.1	Very low	90 Å²	90	75.6 Å²	75.6	46%	0.462	39%	0.393	S	S	.	.	H	α-helix	trans	-68.8	-45.7	176.4	-64.6	166.1	0	0	0	110.7	L600 E601 H602 S606 V607 E608	L600-I604 HydrophobicContact CD2-CD1 4.41Å; L600-I604 HydrophobicContact CG-CD1 4.41Å; L600-I604 WeakPolarHBondContact O-CG1 3.43Å; L600-I604 PolarHBondContact O-N 3.37Å; E601-I604 PolarHBondContact O-N 3.33Å; H602-I604 VanDerWaalsContact C-N 3.31Å; H602-I604 PolarHBondContact O-N 2.87Å; I604-S606 VanDerWaalsContact C-N 3.27Å; I604-S606 PolarHBondContact O-N 2.76Å; I604-V607 PolarHBondContact O-N 2.92Å; I604-V607 VanDerWaalsContact O-N 3.08Å; I604-E608 HydrophobicContact CG2-CG 4.44Å; I604-E608 PolarHBondContact O-N 3.46Å
605	A	40.4	Very low	47.8	Very low	44 Å²	44	79 Å²	79	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-38.2	179.3	0	0	0	0	0	112.3	E601 H602 E608 H609	E601-A605 WeakPolarHBondContact O-CB 3.47Å; E601-A605 PolarHBondContact O-N 3.41Å; H602-A605 PolarHBondContact O-N 2.84Å; A605-E608 PolarHBondContact O-N 3.32Å; A605-H609 WeakPolarHBondContact O-CB 3.22Å; A605-H609 PolarHBondContact O-N 3.05Å
606	S	36	Very low	46.7	Very low	7 Å²	7	80.8 Å²	80.8	5%	0.049	44%	0.435	C	S	.	.	H	α-helix	trans	-67.2	-39.3	175.2	-54.6	0	0	0	0	112.2	V52 D54 H602 I604 H609 D610	V52-S606 WeakPolarHBondContact CG1-OG 3.39Å; D54-S606 WeakPolarHBondContact CB-OG 3.27Å; D54-S606 PolarHBondContact OD2-OG 3.39Å; H602-S606 PolarHBondContact O-N 3.4Å; H602-S606 PolarHBondContact O-OG 3.33Å; I604-S606 VanDerWaalsContact C-N 3.27Å; I604-S606 PolarHBondContact O-N 2.76Å; S606-H609 PolarHBondContact O-N 3.47Å; S606-D610 WeakPolarHBondContact O-CB 3.45Å; S606-D610 PolarHBondContact O-N 3.38Å
607	V	37.9	Very low	45.8	Very low	100 Å²	100	79.9 Å²	79.9	61%	0.606	44%	0.442	S	S	*	.	H	α-helix	trans	-65.8	-39.1	174.6	174.2	0	0	0	0	111.4	S603 I604 H611	S603-V607 VanDerWaalsContact O-CG2 3.32Å; S603-V607 WeakPolarHBondContact O-CG2 3.4Å; S603-V607 PolarHBondContact O-N 2.87Å; I604-V607 PolarHBondContact O-N 2.92Å; I604-V607 VanDerWaalsContact O-N 3.08Å; V607-H611 WeakPolarHBondContact O-CB 3.44Å; V607-H611 PolarHBondContact O-N 2.8Å
608	E	38.6	Very low	44.5	Very low	119 Å²	119	83.7 Å²	83.7	56%	0.556	46%	0.458	S	S	*	.	H	α-helix	trans	-68.3	-38.4	175.2	-72.7	-173.3	162.3	0	0	112.4	I604 A605 H611 N612	I604-E608 HydrophobicContact CG2-CG 4.44Å; I604-E608 PolarHBondContact O-N 3.46Å; A605-E608 PolarHBondContact O-N 3.32Å; E608-H611 PolarHBondContact O-N 3.33Å; E608-N612 VanDerWaalsContact O-CB 3.3Å; E608-N612 WeakPolarHBondContact O-CB 3.44Å; E608-N612 VanDerWaalsContact O-CG 3.26Å; E608-N612 PolarHBondContact O-N 3.12Å; E608-N612 PolarHBondContact O-ND2 3.48Å
609	H	44.2	Very low	42.9	Very low	117 Å²	117	93.5 Å²	93.5	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-42.9	175.7	-164.9	69.2	0	0	0	111.3	A605 S606 N612 S613	A605-H609 WeakPolarHBondContact O-CB 3.22Å; A605-H609 PolarHBondContact O-N 3.05Å; S606-H609 PolarHBondContact O-N 3.47Å; H609-N612 PolarHBondContact O-N 2.91Å; H609-S613 VanDerWaalsContact O-CB 3.22Å; H609-S613 WeakPolarHBondContact O-CB 3.46Å; H609-S613 PolarHBondContact O-N 3.44Å
610	D	41.7	Very low	41.9	Very low	71 Å²	71	93.9 Å²	93.9	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-41.7	174	-77.6	-18.7	0	0	0	111.6	S606 S613 L614	S606-D610 WeakPolarHBondContact O-CB 3.45Å; S606-D610 PolarHBondContact O-N 3.38Å; D610-S613 PolarHBondContact O-N 3.48Å; D610-L614 WeakPolarHBondContact O-CB 3.44Å; D610-L614 VanDerWaalsContact O-CD1 3.27Å; D610-L614 WeakPolarHBondContact O-CD1 3.39Å; D610-L614 PolarHBondContact O-N 2.9Å
611	H	44.3	Very low	41.2	Very low	123 Å²	123	98.8 Å²	98.8	57%	0.569	54%	0.535	S	S	*	.	H	α-helix	trans	-62.8	-46.7	175.4	-170.4	70.2	0	0	0	111.6	V607 E608 S613 L614 V615	V607-H611 WeakPolarHBondContact O-CB 3.44Å; V607-H611 PolarHBondContact O-N 2.8Å; E608-H611 PolarHBondContact O-N 3.33Å; H611-S613 VanDerWaalsContact C-N 3.35Å; H611-S613 PolarHBondContact O-N 3.28Å; H611-L614 PolarHBondContact O-N 2.8Å; H611-V615 WeakPolarHBondContact O-CB 3.1Å; H611-V615 WeakPolarHBondContact O-CG2 3.26Å; H611-V615 PolarHBondContact O-N 3.38Å
612	N	45.4	Very low	40	Very low	98 Å²	98	97.4 Å²	97.4	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-68	-33.3	179	-73.6	-38.7	0	0	0	112.5	E608 H609 V615 A616	E608-N612 VanDerWaalsContact O-CB 3.3Å; E608-N612 WeakPolarHBondContact O-CB 3.44Å; E608-N612 VanDerWaalsContact O-CG 3.26Å; E608-N612 PolarHBondContact O-N 3.12Å; E608-N612 PolarHBondContact O-ND2 3.48Å; H609-N612 PolarHBondContact O-N 2.91Å; N612-V615 PolarHBondContact O-N 2.91Å; N612-A616 WeakPolarHBondContact O-CB 3.43Å; N612-A616 PolarHBondContact O-N 3.07Å
613	S	43.3	Very low	39.1	Very low	66 Å²	66	102.2 Å²	102.2	46%	0.462	57%	0.57	S	S	.	*	H	α-helix	trans	-71.5	-38.4	174	-167.7	0	0	0	0	112	H609 D610 H611 A616 S617	H609-S613 VanDerWaalsContact O-CB 3.22Å; H609-S613 WeakPolarHBondContact O-CB 3.46Å; H609-S613 PolarHBondContact O-N 3.44Å; D610-S613 PolarHBondContact O-N 3.48Å; H611-S613 VanDerWaalsContact C-N 3.35Å; H611-S613 PolarHBondContact O-N 3.28Å; S613-A616 PolarHBondContact O-N 2.84Å; S613-S617 VanDerWaalsContact O-CB 3.27Å; S613-S617 WeakPolarHBondContact O-CB 3.19Å; S613-S617 PolarHBondContact O-N 3.34Å; S613-S617 PolarHBondContact O-OG 2.89Å
614	L	40.7	Very low	39	Very low	114 Å²	114	109.2 Å²	109.2	60%	0.597	60%	0.599	S	S	*	*	H	α-helix	trans	-65.6	-38.5	170.5	-99.9	104.1	0	0	0	112.4	D610 H611 S617 N618	D610-L614 WeakPolarHBondContact O-CB 3.44Å; D610-L614 VanDerWaalsContact O-CD1 3.27Å; D610-L614 WeakPolarHBondContact O-CD1 3.39Å; D610-L614 PolarHBondContact O-N 2.9Å; H611-L614 PolarHBondContact O-N 2.8Å; L614-S617 WeakPolarHBondContact CA-OG 3.21Å; L614-S617 PolarHBondContact O-OG 3.39Å; L614-N618 PolarHBondContact O-N 2.77Å; L614-N618 PolarHBondContact O-ND2 3.49Å
615	V	46.2	Very low	38.5	Very low	85 Å²	85	116.6 Å²	116.6	52%	0.515	62%	0.622	S	S	.	*	H	α-helix	trans	-71.2	-37.4	176.7	173.5	0	0	0	0	111.1	H611 N612	H611-V615 WeakPolarHBondContact O-CB 3.1Å; H611-V615 WeakPolarHBondContact O-CG2 3.26Å; H611-V615 PolarHBondContact O-N 3.38Å; N612-V615 PolarHBondContact O-N 2.91Å
616	A	45.4	Very low	37.7	Very low	79 Å²	79	120 Å²	120	65%	0.653	64%	0.642	S	S	*	*	H	α-helix	trans	-76.2	-27.5	178.6	0	0	0	0	0	114	N612 S613	N612-A616 WeakPolarHBondContact O-CB 3.43Å; N612-A616 PolarHBondContact O-N 3.07Å; S613-A616 PolarHBondContact O-N 2.84Å
617	S	46.5	Very low	37.5	Very low	84 Å²	84	125.3 Å²	125.3	59%	0.587	68%	0.677	S	S	*	*	H	α-helix	trans	-80	-18.2	176.2	55.6	0	0	0	0	113.4	S613 L614 R619	S613-S617 VanDerWaalsContact O-CB 3.27Å; S613-S617 WeakPolarHBondContact O-CB 3.19Å; S613-S617 PolarHBondContact O-N 3.34Å; S613-S617 PolarHBondContact O-OG 2.89Å; L614-S617 WeakPolarHBondContact CA-OG 3.21Å; L614-S617 PolarHBondContact O-OG 3.39Å; S617-R619 PolarHBondContact O-N 3.36Å
618	N	38.6	Very low	37	Very low	127 Å²	127	125.1 Å²	125.1	68%	0.679	69%	0.686	S	S	*	*			trans	-75.1	70.8	166.3	-81.7	-29.6	0	0	0	111.2	L614	L614-N618 PolarHBondContact O-N 2.77Å; L614-N618 PolarHBondContact O-ND2 3.49Å
619	R	29.5	Very low	36.7	Very low	224 Å²	224	128 Å²	128	85%	0.845	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-62.8	131.3	162.3	-91.3	-173.1	-176.6	-157.4	1.4	109.2	S617 M621	S617-R619 PolarHBondContact O-N 3.36Å; R619-M621 PolarHBondContact O-N 2.9Å
620	P	34.2	Very low	35.8	Very low	125 Å²	125	126.6 Å²	126.6	81%	0.812	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-68.9	121.1	-175	26.2	-30.9	0	0	0	110.4
621	M	31.8	Very low	35.1	Very low	193 Å²	193	126.7 Å²	126.7	95%	0.951	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-62.7	132.6	164.8	-88.7	-95.8	150.1	0	0	109.5	R619	R619-M621 PolarHBondContact O-N 2.9Å
622	A	29.6	Very low	34.2	Very low	80 Å²	80	129 Å²	129	66%	0.661	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68.4	157.6	-166.4	0	0	0	0	0	115.1
623	N	31.3	Very low	33.3	Very low	157 Å²	157	131 Å²	131	84%	0.84	77%	0.766	S	S	*	*			trans	63.7	89.2	155.3	-65.5	-17.4	0	0	0	117.7
624	M	32.4	Very low	32.4	Very low	190 Å²	190	136.2 Å²	136.2	94%	0.936	78%	0.782	S	S	*	*			trans	-157.1	115.6	134.5	-107.8	-175.4	175.9	0	0	111.7
625	R	31.4	Very low	31.7	Very low	246 Å²	246	137.9 Å²	137.9	93%	0.928	79%	0.791	S	S	*	*			trans	12	116.3	160.9	-64.9	178.3	177.4	-160	-1.7	120.1
626	S	23.4	Very low	30.7	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	80%	0.802	S	S	*	*			trans	-52.1	165	148.2	-48.4	0	0	0	0	112.4
627	P	30.2	Very low	30	Very low	119 Å²	119	147.7 Å²	147.7	77%	0.773	81%	0.811	S	S	*	*			cis	-144.4	149.8	33.8	37.1	-14.7	0	0	0	119.8
628	A	28.9	Very low	29.2	Very low	96 Å²	96	152.2 Å²	152.2	79%	0.793	82%	0.82	S	S	*	*			trans	29.3	114.7	135	0	0	0	0	0	119.9
629	L	30.7	Very low	28.5	Very low	180 Å²	180	149.6 Å²	149.6	94%	0.942	82%	0.823	S	S	*	*			trans	-143.4	120.1	134.1	-97.2	162.4	0	0	0	107.3
630	G	26.6	Very low	28.6	Very low	88 Å²	88	143.3 Å²	143.3	91%	0.907	81%	0.814	S	S	*	*			trans	-69.8	136	-176.6	0	0	0	0	0	112.3
631	G	27.2	Very low	28.1	Very low	72 Å²	72	149 Å²	149	74%	0.742	82%	0.819	S	S	*	*			trans	-146.7	102.2	167.4	0	0	0	0	0	108.4	L633	G631-L633 PolarHBondContact O-N 2.85Å
632	N	25	Very low	27.8	Very low	172 Å²	172	147.8 Å²	147.8	92%	0.92	81%	0.808	S	S	*	*			trans	-63.3	119	159.2	-86.6	-32.6	0	0	0	107.3
633	L	25.8	Very low	27.4	Very low	141 Å²	141	154.7 Å²	154.7	74%	0.738	82%	0.817	S	S	*	*			trans	-125.1	100.8	166	-150.5	76.9	0	0	0	108.8	G631 L635	G631-L633 PolarHBondContact O-N 2.85Å; L633-L635 HydrophobicContact CD2-CD1 3.9Å; L633-L635 HydrophobicContact CD2-CD2 4.37Å; L633-L635 HydrophobicContact CD2-CG 3.93Å; L633-L635 HydrophobicContact CG-CG 4.33Å
634	Q	24.2	Very low	27.2	Very low	174 Å²	174	155.7 Å²	155.7	81%	0.813	81%	0.814	S	S	*	*			trans	-65.2	126.7	153.5	-70.5	177.1	-9.3	0	0	107.4
635	L	27.7	Very low	27	Very low	149 Å²	149	153.6 Å²	153.6	78%	0.78	81%	0.807	S	S	*	*			trans	-113.2	104.5	168.4	-88.4	163.4	0	0	0	109.7	L633	L633-L635 HydrophobicContact CD2-CD1 3.9Å; L633-L635 HydrophobicContact CD2-CD2 4.37Å; L633-L635 HydrophobicContact CD2-CG 3.93Å; L633-L635 HydrophobicContact CG-CG 4.33Å
636	Y	24.4	Very low	26.6	Very low	189 Å²	189	150 Å²	150	74%	0.741	80%	0.801	S	S	*	*			trans	-56.5	143.7	155.3	-89	-111	0	0	0	110.4
637	H	30.7	Very low	26.9	Very low	181 Å²	181	151 Å²	151	84%	0.838	81%	0.806	S	S	*	*			trans	-130.4	91.1	153.5	-136.9	-89.4	0	0	0	110.9
638	K	29.9	Very low	26.7	Very low	179 Å²	179	152.4 Å²	152.4	78%	0.778	80%	0.802	S	S	*	*			trans	-82.4	141.5	157.1	-102.9	178.7	174.4	176.1	0	107.6
639	G	24	Very low	26.8	Very low	72 Å²	72	152.8 Å²	152.8	74%	0.742	80%	0.799	S	S	*	*			trans	-48.5	143.7	-173	0	0	0	0	0	116.1
640	S	30.9	Very low	26.7	Very low	93 Å²	93	153 Å²	153	65%	0.65	79%	0.792	S	S	*	*			trans	-156.2	121.3	158.4	-80.1	0	0	0	0	110.4
641	R	23.7	Very low	27	Very low	244 Å²	244	155.3 Å²	155.3	92%	0.921	78%	0.784	S	S	*	*			trans	-44.9	125.4	167.9	-163.2	-173.8	-68.3	170.9	-4.7	111.4
642	F	25.9	Very low	27.3	Very low	167 Å²	167	157.2 Å²	157.2	73%	0.732	79%	0.786	S	S	*	*			trans	-130.7	110.6	163.1	-82.7	-72.4	0	0	0	111.9	F644	F642-F644 HydrophobicContact CB-CD2 4.49Å; F642-F644 AromaticContact CD1-CD2 3.79Å; F642-F644 HydrophobicContact CD1-CD2 3.79Å; F642-F644 AromaticContact CD1-CE2 3.26Å; F642-F644 HydrophobicContact CD1-CE2 3.26Å; F642-F644 HydrophobicContact CD1-CZ 4.21Å; F642-F644 AromaticContact CE1-CE2 3.57Å; F642-F644 HydrophobicContact CE1-CE2 3.57Å; F642-F644 HydrophobicContact CE1-CZ 4.22Å; F642-F644 HydrophobicContact CG-CE2 4.29Å
643	R	21.1	Very low	27.8	Very low	225 Å²	225	152.3 Å²	152.3	85%	0.849	78%	0.776	S	S	*	*			trans	-81.4	137.3	147.5	-89.6	-178	178.9	163.8	-1.3	106.7
644	F	26.8	Very low	28.3	Very low	178 Å²	178	150.7 Å²	150.7	78%	0.781	78%	0.776	S	S	*	*			trans	-136.7	137.3	151.8	-89.6	-73.2	0	0	0	111.6	F642	F642-F644 HydrophobicContact CB-CD2 4.49Å; F642-F644 AromaticContact CD1-CD2 3.79Å; F642-F644 HydrophobicContact CD1-CD2 3.79Å; F642-F644 AromaticContact CD1-CE2 3.26Å; F642-F644 HydrophobicContact CD1-CE2 3.26Å; F642-F644 HydrophobicContact CD1-CZ 4.21Å; F642-F644 AromaticContact CE1-CE2 3.57Å; F642-F644 HydrophobicContact CE1-CE2 3.57Å; F642-F644 HydrophobicContact CE1-CZ 4.22Å; F642-F644 HydrophobicContact CG-CE2 4.29Å
645	N	28.4	Very low	28.9	Very low	146 Å²	146	147.9 Å²	147.9	78%	0.781	77%	0.771	S	S	*	*			trans	-78.4	159.9	-170.8	-65.1	-39.1	0	0	0	112.7
646	H	24	Very low	29.2	Very low	171 Å²	171	146.8 Å²	146.8	79%	0.792	77%	0.766	S	S	*	*			trans	-39.5	141.6	159.4	-94.6	-1.7	0	0	0	115
647	C	28.5	Very low	29.8	Very low	134 Å²	134	143.8 Å²	143.8	91%	0.905	77%	0.768	S	S	*	*			trans	-160.1	141.8	130.7	-103	0	0	0	0	112
648	H	26.3	Very low	30	Very low	150 Å²	150	141 Å²	141	69%	0.694	77%	0.766	S	S	*	*			trans	-73.6	156.5	-175.7	-81.1	-104.5	0	0	0	115.3
649	S	30.3	Very low	30.1	Very low	104 Å²	104	138 Å²	138	73%	0.727	77%	0.767	S	S	*	*				152.4	114.1	127.4	-65.9	0	0	0	0	110.6
650	F	28.9	Very low	30.1	Very low	183 Å²	183	140 Å²	140	80%	0.803	77%	0.77	S	S	*	*				48.6	128.7	101.5	-72.1	-81.8	0	0	0	113.3
651	D	33.3	Very low	30.1	Very low	138 Å²	138	141 Å²	141	74%	0.738	78%	0.777	S	S	*	*			cis	-173.1	158.3	43.9	-143.4	-14.3	0	0	0	112.8
652	S	34.3	Very low	30.2	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	78%	0.779	S	S	*	*			trans	30.2	148.2	151.3	66.9	0	0	0	0	123
653	G	34	Very low	30.2	Very low	69 Å²	69	143.5 Å²	143.5	71%	0.711	78%	0.783	S	S	*	*			cis	176.4	147.8	13.8	0	0	0	0	0	106.2
654	S	37.1	Very low	30.5	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	77%	0.772	S	S	*	*				123.9	130.1	74	58.3	0	0	0	0	110.7
655	T	37	Very low	30.7	Very low	115 Å²	115	133.9 Å²	133.9	71%	0.706	77%	0.766	S	S	*	*			trans	63.2	140	144.2	57.3	0	0	0	0	120.4
656	D	34.1	Very low	30.6	Very low	127 Å²	127	133.5 Å²	133.5	68%	0.679	76%	0.764	S	S	*	*			cis	-173.5	136.2	6.4	-101.9	-22.7	0	0	0	112
657	T	36	Very low	30.7	Very low	126 Å²	126	131.5 Å²	131.5	77%	0.773	76%	0.763	S	S	*	*			trans	70.3	164.1	134.5	77.8	0	0	0	0	122.4
658	P	35.7	Very low	30.5	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	76%	0.762	S	S	*	*				-137.4	165.9	-100.4	30.2	-4.6	0	0	0	116
659	S	30.9	Very low	30.5	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	76%	0.764	S	S	*	*			trans	-155.2	118.9	155.6	69.1	0	0	0	0	113.6
660	S	25.9	Very low	30.2	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	76%	0.763	S	S	*	*			trans	52.2	93.6	146.5	173	0	0	0	0	119.3
661	S	29.6	Very low	30.1	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	76%	0.763	S	S	*	*				178	145.6	125.2	46.6	0	0	0	0	110.4	R663	S661-R663 PolarHBondContact O-N 3.35Å
662	Y	25.5	Very low	29.8	Very low	246 Å²	246	135.5 Å²	135.5	97%	0.965	76%	0.755	S	S	*	*			trans	-62.8	127	-165.5	-75.5	-101.2	0	0	0	113.3
663	R	26.5	Very low	29.4	Very low	217 Å²	217	135.9 Å²	135.9	82%	0.819	76%	0.755	S	S	*	*			trans	-106.7	127.8	177.1	-159.4	-173.8	-82.5	-173.6	-5.2	109.3	S661	S661-R663 PolarHBondContact O-N 3.35Å
664	V	27.8	Very low	29.3	Very low	100 Å²	100	140.9 Å²	140.9	61%	0.606	76%	0.763	S	S	*	*			trans	-94.1	141.2	161.4	-169	0	0	0	0	106.8
665	P	30.6	Very low	29	Very low	101 Å²	101	143.7 Å²	143.7	66%	0.656	77%	0.765	S	S	*	*			trans	-76.9	139.1	-153.3	-11.4	27	0	0	0	114	V667	P665-V667 PolarHBondContact O-N 3.48Å
666	N	27.3	Very low	28.8	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	77%	0.766	S	S	*	*			trans	-60.8	111	157.2	-72.5	-36.2	0	0	0	109.2	R668	N666-R668 PolarHBondContact O-N 3.14Å
667	V	25	Very low	28.7	Very low	129 Å²	129	143.5 Å²	143.5	78%	0.782	77%	0.767	S	S	*	*			trans	-81.8	97.4	162.1	-179.5	0	0	0	0	107.1	P665 I669	P665-V667 PolarHBondContact O-N 3.48Å; V667-I669 HydrophobicContact CG1-CG1 4.04Å
668	R	24.7	Very low	28.5	Very low	233 Å²	233	145.8 Å²	145.8	88%	0.879	77%	0.766	S	S	*	*			trans	-82.7	109.8	160.2	-86.6	-177.3	178.6	173.1	-1.2	107.2	N666 K670	N666-R668 PolarHBondContact O-N 3.14Å; R668-K670 PolarHBondContact O-N 3.37Å
669	I	25.4	Very low	28.3	Very low	143 Å²	143	148.6 Å²	148.6	73%	0.733	77%	0.771	S	S	*	*			trans	-78.5	106.7	162	-59	178.4	0	0	0	106.1	V667 V671	V667-I669 HydrophobicContact CG1-CG1 4.04Å; I669-V671 HydrophobicContact CG2-CG2 4Å
670	K	24.8	Very low	28.1	Very low	163 Å²	163	146.6 Å²	146.6	71%	0.709	77%	0.768	S	S	*	*			trans	-88.1	107.3	170	-159.4	-173.5	-170.3	-163.9	0	105.8	R668 E672	R668-K670 PolarHBondContact O-N 3.37Å; K670-E672 HydrophobicContact CD-CG 4.08Å; K670-E672 WeakPolarHBondContact CE-OE1 3.32Å; K670-E672 HydrophobicContact CG-CG 4.12Å; K670-E672 IonicContact NZ-OE1 3.07Å; K670-E672 PolarHBondContact NZ-OE1 3.41Å
671	V	26.8	Very low	28.3	Very low	133 Å²	133	149.6 Å²	149.6	81%	0.806	77%	0.774	S	S	*	*			trans	-89.3	105.6	166.5	-175.3	0	0	0	0	105.8	I669	I669-V671 HydrophobicContact CG2-CG2 4Å
672	E	26.5	Very low	28.1	Very low	121 Å²	121	149.9 Å²	149.9	57%	0.565	77%	0.767	S	S	*	*			trans	-90.6	144.3	170.4	-69.2	-167.6	167.7	0	0	109.6	K670	K670-E672 HydrophobicContact CD-CG 4.08Å; K670-E672 WeakPolarHBondContact CE-OE1 3.32Å; K670-E672 HydrophobicContact CG-CG 4.12Å; K670-E672 IonicContact NZ-OE1 3.07Å; K670-E672 PolarHBondContact NZ-OE1 3.41Å
673	P	27.4	Very low	28.5	Very low	120 Å²	120	146.3 Å²	146.3	78%	0.779	76%	0.762	S	S	*	*			trans	-73.4	131.9	176.2	30.6	-30.7	0	0	0	109.8
674	I	30.7	Very low	28.7	Very low	173 Å²	173	140.4 Å²	140.4	89%	0.887	75%	0.751	S	S	*	*			trans	-97.8	106.7	171.2	-61.1	176.2	0	0	0	108
675	E	31.3	Very low	28.8	Very low	166 Å²	166	146.3 Å²	146.3	78%	0.776	76%	0.762	S	S	*	*			trans	-96.7	138	164.6	-75.1	-179.9	163.2	0	0	110.3
676	D	31.6	Very low	29	Very low	138 Å²	138	150.5 Å²	150.5	74%	0.738	77%	0.773	S	S	*	*			trans	67.9	105.4	147.8	-65.5	-14	0	0	0	123.2
677	S	32.3	Very low	29	Very low	100 Å²	100	150 Å²	150	70%	0.699	77%	0.774	S	S	*	*				83.8	134.3	114.6	79.9	0	0	0	0	122.7
678	K	33.1	Very low	29.3	Very low	175 Å²	175	150.2 Å²	150.2	76%	0.761	78%	0.776	S	S	*	*			trans	100.7	128	143.5	-77.3	175.6	-179.9	173.3	0	122.7
679	M	30.2	Very low	29.6	Very low	181 Å²	181	144.2 Å²	144.2	89%	0.892	77%	0.77	S	S	*	*			trans	70.4	129.9	148.5	-66.4	176.4	-176	0	0	117.7
680	G	26.9	Very low	30	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	77%	0.769	S	S	*	*			cis	130.1	121.8	8	0	0	0	0	0	109.9
681	I	29.7	Very low	30.3	Very low	178 Å²	178	142.4 Å²	142.4	91%	0.913	78%	0.775	S	S	*	*			trans	-152	136.4	157.7	-59.8	-171.9	0	0	0	109.8
682	D	26.9	Very low	30.7	Very low	120 Å²	120	142.2 Å²	142.2	64%	0.642	77%	0.77	S	S	*	*			trans	-106.2	140.8	-170.4	179.6	16.8	0	0	0	111.1
683	I	34.3	Very low	30.8	Very low	171 Å²	171	146.5 Å²	146.5	88%	0.877	78%	0.781	S	S	*	*			trans	-142.8	128.2	153.5	-54.5	-177.6	0	0	0	109.6
684	T	30.5	Very low	31.1	Very low	93 Å²	93	149.9 Å²	149.9	57%	0.571	78%	0.779	S	S	*	*			trans	-102.8	151.9	-158.4	13.2	0	0	0	0	114.1
685	R	30.1	Very low	31.2	Very low	224 Å²	224	150.3 Å²	150.3	85%	0.845	78%	0.775	S	S	*	*			trans	61.3	125.2	141.4	-63.8	172.6	172.8	178.5	-1.9	120.1
686	Q	32.9	Very low	31.2	Very low	189 Å²	189	146.7 Å²	146.7	88%	0.883	77%	0.773	S	S	*	*				178.4	162.1	95	-92.7	-175.1	-8.5	0	0	111.6
687	T	28.6	Very low	31.4	Very low	126 Å²	126	145 Å²	145	77%	0.773	77%	0.77	S	S	*	*			trans	-115.2	153.5	-149.6	38	0	0	0	0	113.6
688	V	29.9	Very low	31.3	Very low	134 Å²	134	147.1 Å²	147.1	81%	0.812	77%	0.773	S	S	*	*			trans	78.3	114.7	140.2	174.7	0	0	0	0	119.5
689	S	30.8	Very low	31.2	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	78%	0.777	S	S	*	*				161.2	147.6	96.6	-151.7	0	0	0	0	112.3
690	P	35.2	Very low	31.3	Very low	110 Å²	110	142.9 Å²	142.9	71%	0.714	77%	0.769	S	S	*	*			trans	-107.4	157.7	179.7	39	-29.4	0	0	0	114
691	D	31.5	Very low	31.3	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	78%	0.778	S	S	*	*			trans	175.3	162.2	138.1	-101.1	-27.9	0	0	0	113.8
692	D	33.9	Very low	31.1	Very low	128 Å²	128	141.2 Å²	141.2	68%	0.684	77%	0.772	S	S	*	*			trans	88.4	93.9	169.8	-68.8	-30.5	0	0	0	119.1
693	R	29.9	Very low	31	Very low	211 Å²	211	139.5 Å²	139.5	80%	0.796	77%	0.774	S	S	*	*				68.6	114.2	84.7	-71.9	-178.1	-170.2	-158.3	3.1	113.9
694	Y	32	Very low	30.6	Very low	192 Å²	192	138.8 Å²	138.8	75%	0.753	77%	0.772	S	S	*	*				179.4	126.4	110.6	-113.2	-110.6	0	0	0	112.8
695	K	33.1	Very low	30.3	Very low	181 Å²	181	143 Å²	143	79%	0.787	78%	0.778	S	S	*	*			trans	72.2	98.4	148.2	-73.8	178.3	178.9	166.9	0	121.6
696	A	32.1	Very low	30.2	Very low	90 Å²	90	141.7 Å²	141.7	74%	0.744	78%	0.775	S	S	*	*			trans	-76.8	178.8	134.2	0	0	0	0	0	109.3
697	P	36.1	Very low	29.8	Very low	103 Å²	103	136.3 Å²	136.3	67%	0.669	76%	0.763	S	S	*	*				-152	165.3	59.9	37.7	-12.7	0	0	0	114.7
698	D	29.6	Very low	29.8	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	77%	0.766	S	S	*	*				132.9	127.2	107.6	-90.6	-24.2	0	0	0	104.7
699	E	31.9	Very low	29.6	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	76%	0.762	S	S	*	*			cis	-161.9	144	48.7	-107.8	164.2	-171.3	0	0	113.1
700	A	31.8	Very low	29.6	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	76%	0.763	S	S	*	*			trans	43.9	111.9	147	0	0	0	0	0	121.2
701	C	25.5	Very low	29.3	Very low	140 Å²	140	141.1 Å²	141.1	95%	0.946	77%	0.767	S	S	*	*				64.9	129	73.3	-71.4	0	0	0	0	113.3
702	G	26.7	Very low	29.2	Very low	75 Å²	75	140.4 Å²	140.4	77%	0.773	77%	0.768	S	S	*	*			cis	178.8	168.3	7.2	0	0	0	0	0	110.9
703	A	24.4	Very low	28.9	Very low	85 Å²	85	137.1 Å²	137.1	70%	0.702	77%	0.765	S	S	*	*			trans	-13.2	145.2	163.8	0	0	0	0	0	118.7
704	L	25.9	Very low	29	Very low	156 Å²	156	130.6 Å²	130.6	82%	0.817	76%	0.763	S	S	*	*				-168.9	121.6	102.6	-85.7	153.7	0	0	0	111.6
705	Y	25.2	Very low	29.2	Very low	181 Å²	181	126.4 Å²	126.4	71%	0.71	76%	0.76	S	S	*	*			trans	37.5	146.2	136.8	-62.1	-104.1	0	0	0	121.7
706	Y	26.8	Very low	29	Very low	197 Å²	197	124.5 Å²	124.5	77%	0.773	76%	0.758	S	S	*	*			cis	-151.8	130.4	25.7	-98	-90.6	0	0	0	106.1
707	A	24.5	Very low	28.8	Very low	76 Å²	76	124.9 Å²	124.9	63%	0.628	75%	0.751	S	S	*	*				46.9	106.4	81.7	0	0	0	0	0	114.7
708	D	28	Very low	28.4	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	76%	0.758	S	S	*	*				174.9	102.4	115.7	-82.5	-17.4	0	0	0	111.9
709	T	26.3	Very low	28.2	Very low	121 Å²	121	133.6 Å²	133.6	74%	0.742	76%	0.761	S	S	*	*			trans	-74.8	162.3	150.8	49.4	0	0	0	0	109.6
710	P	31.9	Very low	27.9	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	76%	0.755	S	S	*	*				-135.4	138.7	97	14.2	7.6	0	0	0	112.4
711	F	27.4	Very low	27.6	Very low	181 Å²	181	133.8 Å²	133.8	79%	0.794	76%	0.755	S	S	*	*				59.1	120.4	84.5	-111.5	-101.4	0	0	0	110.4
712	V	29.2	Very low	27.8	Very low	144 Å²	144	135.6 Å²	135.6	87%	0.873	75%	0.747	S	S	*	*				-164.5	141.9	71.3	179.9	0	0	0	0	107.4
713	G	29.2	Very low	27.8	Very low	60 Å²	60	139 Å²	139	62%	0.619	75%	0.747	S	S	*	*			cis	-167.9	146.4	5.3	0	0	0	0	0	110.6
714	G	31	Very low	28	Very low	73 Å²	73	143.1 Å²	143.1	75%	0.753	76%	0.757	S	S	*	*			trans	-78	-139.5	158.7	0	0	0	0	0	110.1
715	P	35.7	Very low	28.2	Very low	105 Å²	105	140.1 Å²	140.1	68%	0.682	75%	0.749	S	S	*	*			cis	-131.2	175.1	3.4	30	-4.6	0	0	0	111.1
716	D	29.8	Very low	28.3	Very low	140 Å²	140	139.8 Å²	139.8	75%	0.749	76%	0.758	S	S	*	*				-167.2	116.9	71	-75.1	-43.5	0	0	0	107.3
717	V	28	Very low	28.4	Very low	99 Å²	99	133.6 Å²	133.6	60%	0.6	75%	0.754	S	S	*	*				51.2	124.9	75.4	-149.9	0	0	0	0	112.1
718	Y	28.2	Very low	28.7	Very low	206 Å²	206	139.7 Å²	139.7	81%	0.808	77%	0.769	S	S	*	*				-161.9	135.8	52.1	-72.4	-95.2	0	0	0	108.8
719	R	24	Very low	28.7	Very low	223 Å²	223	141 Å²	141	84%	0.842	77%	0.77	S	S	*	*				59.1	106.8	70.5	-134.4	-163.3	-162.5	163.5	6.2	116.6
720	L	25.8	Very low	29	Very low	139 Å²	139	142.7 Å²	142.7	73%	0.728	78%	0.775	S	S	*	*				159.4	123.9	111.2	-90.6	157.8	0	0	0	115.6
721	N	26.3	Very low	29.2	Very low	133 Å²	133	144 Å²	144	71%	0.711	78%	0.775	S	S	*	*			trans	52	119.3	133.9	-91.9	-22.5	0	0	0	124.1
722	K	29.1	Very low	29.5	Very low	178 Å²	178	142.7 Å²	142.7	77%	0.774	78%	0.776	S	S	*	*				39.7	106.5	126.9	-74.2	-175.3	176.2	-178.9	0	118.7
723	N	26.9	Very low	29.7	Very low	146 Å²	146	142 Å²	142	78%	0.781	77%	0.766	S	S	*	*				155.3	109.2	121.8	-78.7	-23.1	0	0	0	106.8
724	L	28.4	Very low	29.8	Very low	172 Å²	172	146.2 Å²	146.2	90%	0.901	77%	0.77	S	S	*	*			trans	174.9	144.4	132.4	-114.1	71.6	0	0	0	110.7
725	S	29.9	Very low	29.9	Very low	93 Å²	93	150 Å²	150	65%	0.65	77%	0.768	S	S	*	*			trans	-64.8	141.6	176.9	44.7	0	0	0	0	114.9
726	I	28.1	Very low	29.5	Very low	175 Å²	175	148 Å²	148	90%	0.897	76%	0.759	S	S	*	*	S	Bend	trans	54.5	108.3	140.2	-53.8	169.1	0	0	0	116.9
727	G	28	Very low	29.6	Very low	67 Å²	67	144.8 Å²	144.8	69%	0.691	75%	0.745	S	S	*	*			trans	129.4	127.7	155.7	0	0	0	0	0	114.1
728	Q	31.8	Very low	29.9	Very low	204 Å²	204	144.3 Å²	144.3	95%	0.953	75%	0.746	S	S	*	*			trans	84.1	74.1	177.6	-54.3	-175.4	-82.1	0	0	115.4
729	E	28.1	Very low	30.3	Very low	185 Å²	185	138.8 Å²	138.8	86%	0.864	74%	0.738	S	S	*	*			trans	-86.8	156	152.1	-68.8	178.1	143.6	0	0	108.1
730	D	32.1	Very low	30.8	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	73%	0.728	S	S	*	*			trans	93.4	87.1	-171.6	-53.6	-26.4	0	0	0	113.9
731	D	36.6	Very low	31.2	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	71%	0.712	S	S	*	*	S	Bend	trans	-177.5	-17	148.8	-93	-24.4	0	0	0	113.8
732	L	34.1	Very low	31.5	Very low	155 Å²	155	125.7 Å²	125.7	81%	0.812	70%	0.698	S	S	*	*	S	Bend	trans	-94	-9.8	-178.9	-70.6	170.2	0	0	0	115.5
733	L	31.8	Very low	32	Very low	129 Å²	129	121.7 Å²	121.7	68%	0.675	69%	0.69	S	S	*	*	H	α-helix	trans	-82.4	-15.4	171	-91.8	157.1	0	0	0	112.8	E735 V737	L733-E735 VanDerWaalsContact C-N 3.33Å; L733-E735 PolarHBondContact O-N 3.41Å; L733-V737 WeakPolarHBondContact O-CG2 3.27Å
734	H	32.9	Very low	32.4	Very low	149 Å²	149	121.1 Å²	121.1	69%	0.69	69%	0.685	S	S	*	*	H	α-helix	trans	-78.6	-14.5	-177	-125.9	-76.2	0	0	0	114
735	E	31.7	Very low	32.9	Very low	153 Å²	153	119.4 Å²	119.4	72%	0.715	67%	0.67	S	S	*	*	H	α-helix	trans	-99.5	-28.3	-176.7	-150.6	166.5	-171.5	0	0	113.2	L733	L733-E735 VanDerWaalsContact C-N 3.33Å; L733-E735 PolarHBondContact O-N 3.41Å
736	A	27.2	Very low	33.1	Very low	61 Å²	61	123.3 Å²	123.3	50%	0.504	68%	0.675	S	S	.	*	H	α-helix	trans	-80.8	-28.4	177	0	0	0	0	0	113.8	S739 T740	A736-S739 PolarHBondContact O-OG 3.46Å; A736-T740 PolarHBondContact O-OG1 3.31Å
737	V	32.3	Very low	33.5	Very low	74 Å²	74	123.4 Å²	123.4	45%	0.448	67%	0.669	S	S	.	*	H	α-helix	trans	-77.6	-26.9	177.2	178.4	0	0	0	0	111.1	L733 L741	L733-V737 WeakPolarHBondContact O-CG2 3.27Å; V737-L741 HydrophobicContact CG1-CD1 4Å
738	S	34.7	Very low	34.1	Very low	88 Å²	88	125.9 Å²	125.9	62%	0.615	67%	0.667	S	S	*	*	H	α-helix	trans	-79.1	-27.8	-179.6	-157.2	0	0	0	0	113.8
739	S	36.2	Very low	34.4	Very low	91 Å²	91	120.9 Å²	120.9	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-85	-19.2	-179	66	0	0	0	0	114.8	A736	A736-S739 PolarHBondContact O-OG 3.46Å
740	T	34	Very low	34.7	Very low	105 Å²	105	118.5 Å²	118.5	64%	0.644	63%	0.634	S	S	*	*	H	α-helix	trans	-107.2	-26.9	-172	-41.3	0	0	0	0	112.7	A736	A736-T740 PolarHBondContact O-OG1 3.31Å
741	L	35	Very low	34.9	Very low	75 Å²	75	114.3 Å²	114.3	39%	0.393	62%	0.621	S	S	.	*	H	α-helix	trans	-103.5	-9	179.3	-67.4	169.6	0	0	0	114.2	V737 P743 M744	V737-L741 HydrophobicContact CG1-CD1 4Å; L741-P743 VanDerWaalsContact C-CD 3.5Å; L741-M744 PolarHBondContact O-N 3.43Å
742	G	33.6	Very low	34.9	Very low	40 Å²	40	111.6 Å²	111.6	41%	0.412	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.7	-31.2	-178.6	0	0	0	0	0	116.9
743	P	38.4	Very low	35	Very low	93 Å²	93	111.4 Å²	111.4	60%	0.604	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-23.2	176.9	-13.6	29.8	0	0	0	114.8	L741	L741-P743 VanDerWaalsContact C-CD 3.5Å
744	M	35.1	Very low	35.3	Very low	135 Å²	135	115.9 Å²	115.9	67%	0.665	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-35.6	-177.9	-82.9	178.4	60.9	0	0	111.8	L741 K746	L741-M744 PolarHBondContact O-N 3.43Å; M744-K746 VanDerWaalsContact C-N 3.27Å; M744-K746 PolarHBondContact O-N 3.21Å
745	F	38.6	Very low	35.4	Very low	136 Å²	136	114.2 Å²	114.2	60%	0.596	63%	0.628	S	S	*	*	H	α-helix	trans	-76.6	-5	178.5	-81.3	-83.4	0	0	0	115.3	I749	F745-I749 VanDerWaalsContact O-CD1 3.25Å; F745-I749 WeakPolarHBondContact O-CD1 3.38Å; F745-I749 VanDerWaalsContact O-CG1 3.31Å; F745-I749 WeakPolarHBondContact O-CG1 3.16Å
746	K	35.5	Very low	35.6	Very low	174 Å²	174	112.2 Å²	112.2	76%	0.757	62%	0.623	S	S	*	*	H	α-helix	trans	-90.5	-12	178.1	-95.1	178.6	177.9	171.3	0	114.9	M744	M744-K746 VanDerWaalsContact C-N 3.27Å; M744-K746 PolarHBondContact O-N 3.21Å
747	K	35.8	Very low	36.1	Very low	178 Å²	178	115 Å²	115	77%	0.774	63%	0.63	S	S	*	*	H	α-helix	trans	-95.4	-29.3	177.6	-87.1	-178.2	174.6	177	0	113.6
748	D	39.9	Very low	36.3	Very low	119 Å²	119	117.4 Å²	117.4	64%	0.636	64%	0.641	S	S	*	*	H	α-helix	trans	-90.8	-21.7	-176.2	-64.2	-28.6	0	0	0	113.9	H750 A751 A752	D748-H750 PolarHBondContact O-N 3.49Å; D748-A751 PolarHBondContact O-N 3.23Å; D748-A751 VanDerWaalsContact O-N 3.14Å; D748-A752 PolarHBondContact O-N 3.36Å
749	I	37.9	Very low	36.4	Very low	99 Å²	99	119.3 Å²	119.3	51%	0.508	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	-24.8	170.8	-66.3	175.7	0	0	0	111.3	F745 A751 E753	F745-I749 VanDerWaalsContact O-CD1 3.25Å; F745-I749 WeakPolarHBondContact O-CD1 3.38Å; F745-I749 VanDerWaalsContact O-CG1 3.31Å; F745-I749 WeakPolarHBondContact O-CG1 3.16Å; I749-A751 VanDerWaalsContact C-N 3.35Å; I749-E753 WeakPolarHBondContact O-CG 3.15Å
750	H	34.9	Very low	36.4	Very low	134 Å²	134	121.1 Å²	121.1	62%	0.62	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-10.7	177.7	-134.3	-47.9	0	0	0	114	D748	D748-H750 PolarHBondContact O-N 3.49Å
751	A	36.5	Very low	36.6	Very low	69 Å²	69	122.3 Å²	122.3	57%	0.57	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-17.7	178.2	0	0	0	0	0	113.2	D748 I749	D748-A751 PolarHBondContact O-N 3.23Å; D748-A751 VanDerWaalsContact O-N 3.14Å; I749-A751 VanDerWaalsContact C-N 3.35Å
752	A	36.8	Very low	36.7	Very low	86 Å²	86	125.9 Å²	125.9	71%	0.711	66%	0.662	S	S	*	*	S	Bend	trans	-91	-8.2	170.4	0	0	0	0	0	113.4	D748	D748-A752 PolarHBondContact O-N 3.36Å
753	E	37.4	Very low	36.9	Very low	151 Å²	151	133.1 Å²	133.1	71%	0.706	68%	0.682	S	S	*	*			trans	-97.8	3.3	173.9	-74.1	-176.6	158	0	0	113.6	I749	I749-E753 WeakPolarHBondContact O-CG 3.15Å
754	Q	36.7	Very low	36.8	Very low	223 Å²	223	136.7 Å²	136.7	100%	1.042	69%	0.69	S	S	*	*			trans	-103.2	0	165.3	-77.9	-170.2	-0.5	0	0	110

Retrieved 754 of 754 residues in 885.9 ms (Link to these results)

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