A0A077YY07_TRITR Loading...

Serrate RNA effector molecule homolog

AlphaFold DB , UniProt , Accession A0A077YY07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 762 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	38.2	Very low	41.7	Very low	218 Å²	218	107.5 Å²	107.5	100%	1.074	54%	0.539	S	S	*	.				0	140.1	0	-71.9	-160.1	169.3	0	0	108.4
2	G	36.9	Very low	41.9	Very low	42 Å²	42	114.3 Å²	114.3	43%	0.433	55%	0.553	S	S	.	*			trans	112.4	-41.6	155.4	0	0	0	0	0	120	S4	G2-S4 PolarHBondContact O-N 3.36Å
3	D	42	Very low	41.8	Very low	63 Å²	63	113.7 Å²	113.7	34%	0.337	57%	0.568	S	S	.	*	S	Bend	trans	-91.9	108	-168.6	-83.4	-40.1	0	0	0	113.6	D5 Y540	D3-D5 PolarHBondContact O-N 2.75Å; D3-Y540 WeakPolarHBondContact OD1-CD1 2.9Å; D3-Y540 WeakPolarHBondContact OD1-CE1 3.31Å; D3-Y540 WeakPolarHBondContact OD2-CD1 3.15Å
4	S	46.2	Very low	41.7	Very low	58 Å²	58	120.9 Å²	120.9	41%	0.406	59%	0.586	S	S	.	*	S	Bend	trans	67.6	-17.8	167.2	-170.5	0	0	0	0	118.2	G2 D6 E7	G2-S4 PolarHBondContact O-N 3.36Å; S4-D6 PolarHBondContact O-N 3.39Å; S4-E7 PolarHBondContact O-N 3.32Å
5	D	46.7	Very low	41.8	Very low	68 Å²	68	119.4 Å²	119.4	36%	0.364	58%	0.582	S	S	.	*	H	α-helix	trans	-70.3	-30.3	-169.2	-101.2	-31.9	0	0	0	115.4	D3 E7 G9 R353	D3-D5 PolarHBondContact O-N 2.75Å; D5-E7 VanDerWaalsContact C-N 3.28Å; D5-E7 PolarHBondContact O-N 3.4Å; D5-G9 PolarHBondContact O-N 2.92Å; D5-R353 IonicContact OD1-CZ 2.74Å; D5-R353 IonicContact OD1-NH1 3.29Å; D5-R353 PolarHBondContact OD1-NH1 3.29Å; D5-R353 IonicContact OD1-NH2 3.4Å; D5-R353 PolarHBondContact OD1-NH2 3.08Å; D5-R353 IonicContact OD2-CZ 3.74Å; D5-R353 IonicContact OD2-NH1 3.16Å; D5-R353 PolarHBondContact OD2-NH1 3.02Å; D5-R353 IonicContact OD2-NH2 3.67Å; D5-R353 PolarHBondContact OD2-NH2 2.87Å
6	D	40.9	Very low	41.9	Very low	120 Å²	120	122.5 Å²	122.5	64%	0.642	59%	0.591	S	S	*	*	H	α-helix	trans	-72.7	-21	-179.9	-74.3	-33.8	0	0	0	113.3	S4 R10	S4-D6 PolarHBondContact O-N 3.39Å; D6-R10 WeakPolarHBondContact O-CB 3.4Å; D6-R10 WeakPolarHBondContact O-CG 3.07Å; D6-R10 PolarHBondContact O-N 2.79Å
7	E	42.4	Very low	41.8	Very low	72 Å²	72	126.9 Å²	126.9	34%	0.336	61%	0.607	S	S	.	*	H	α-helix	trans	-84.4	-31.3	-179.8	-154.1	169.2	167.9	0	0	112.2	S4 D5 R11 R394	S4-E7 PolarHBondContact O-N 3.32Å; D5-E7 VanDerWaalsContact C-N 3.28Å; D5-E7 PolarHBondContact O-N 3.4Å; E7-R11 WeakPolarHBondContact O-CG 3.07Å; E7-R11 PolarHBondContact O-N 3.01Å; E7-R11 IonicContact OE1-CZ 2.71Å; E7-R11 IonicContact OE1-NE 3.11Å; E7-R11 IonicContact OE1-NH2 3.75Å; E7-R11 PolarHBondContact OE1-NH2 2.91Å; E7-R394 IonicContact OE2-CZ 3.64Å; E7-R394 IonicContact OE2-NH1 3.7Å; E7-R394 IonicContact OE2-NH2 3.72Å; E7-R394 PolarHBondContact OE2-NH2 2.89Å
8	Y	41.2	Very low	41.7	Very low	144 Å²	144	124.4 Å²	124.4	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-76.7	-32	173.5	-80	-84.1	0	0	0	112.8
9	G	40.9	Very low	41.7	Very low	42 Å²	42	128 Å²	128	43%	0.433	61%	0.612	S	S	.	*	H	α-helix	trans	-72.3	-45.4	176.8	0	0	0	0	0	113.5	D5 R11 R12 S13	D5-G9 PolarHBondContact O-N 2.92Å; G9-R11 PolarHBondContact O-N 3Å; G9-R12 PolarHBondContact O-N 3.36Å; G9-S13 PolarHBondContact O-N 2.94Å
10	R	40	Very low	41.6	Very low	194 Å²	194	129.5 Å²	129.5	73%	0.732	62%	0.624	S	S	*	*	H	α-helix	trans	-67.5	-33.5	-179.7	-73.6	-172.7	-165.2	-165.3	6.8	113.2	D6 R14	D6-R10 WeakPolarHBondContact O-CB 3.4Å; D6-R10 WeakPolarHBondContact O-CG 3.07Å; D6-R10 PolarHBondContact O-N 2.79Å; R10-R14 WeakPolarHBondContact O-CB 3.48Å; R10-R14 PolarHBondContact O-N 3.44Å
11	R	43	Very low	41.5	Very low	162 Å²	162	134.8 Å²	134.8	61%	0.611	64%	0.637	S	S	*	*	H	α-helix	trans	-71.2	-29.3	178.3	-70.5	-176.8	-170.7	-141.1	6.3	113.1	E7 G9	E7-R11 WeakPolarHBondContact O-CG 3.07Å; E7-R11 PolarHBondContact O-N 3.01Å; E7-R11 IonicContact OE1-CZ 2.71Å; E7-R11 IonicContact OE1-NE 3.11Å; E7-R11 IonicContact OE1-NH2 3.75Å; E7-R11 PolarHBondContact OE1-NH2 2.91Å; G9-R11 PolarHBondContact O-N 3Å
12	R	44.4	Very low	41.6	Very low	188 Å²	188	127.5 Å²	127.5	71%	0.709	61%	0.608	S	S	*	*	H	α-helix	trans	-86.8	-25.6	177.7	-73.9	-172.7	175.8	-170.7	-1	114.7	G9	G9-R12 PolarHBondContact O-N 3.36Å
13	S	40.9	Very low	41.9	Very low	107 Å²	107	132 Å²	132	75%	0.748	62%	0.622	S	S	*	*	H	α-helix	trans	-85.5	-18.9	177.4	-84	0	0	0	0	114.2	G9	G9-S13 PolarHBondContact O-N 2.94Å
14	R	40.2	Very low	41.8	Very low	214 Å²	214	138.7 Å²	138.7	81%	0.808	65%	0.648	S	S	*	*	H	α-helix	trans	-88.6	-17.9	-179.8	-161.1	168.7	-176.3	170	0.4	114.5	R10	R10-R14 WeakPolarHBondContact O-CB 3.48Å; R10-R14 PolarHBondContact O-N 3.44Å
15	D	43.1	Very low	41.7	Very low	99 Å²	99	144.2 Å²	144.2	53%	0.529	67%	0.668	S	S	.	*	S	Bend	trans	-108.4	2.6	-172.3	-83.4	-30.6	0	0	0	116
16	K	43.3	Very low	41.6	Very low	169 Å²	169	148.5 Å²	148.5	74%	0.735	69%	0.69	S	S	*	*	S	Bend	trans	-85.9	-6.8	177.7	-89.3	-173.9	174.3	-173.5	0	115.7
17	F	39.8	Very low	41.5	Very low	197 Å²	197	154.2 Å²	154.2	86%	0.864	70%	0.703	S	S	*	*	S	Bend	trans	-126.7	2	178.3	-75.3	-75.4	0	0	0	114.7
18	S	40.8	Very low	41.3	Very low	83 Å²	83	162 Å²	162	58%	0.58	73%	0.729	S	S	*	*	S	Bend	trans	-102.1	-4.9	-178.1	-155.7	0	0	0	0	114.7
19	R	41.4	Very low	41.1	Very low	192 Å²	192	163.7 Å²	163.7	73%	0.725	74%	0.742	S	S	*	*	S	Bend	trans	-102.6	-2.6	-175.5	-107.2	175.4	167.3	150.8	-5.8	116.2
20	D	39.4	Very low	41.1	Very low	157 Å²	157	168.7 Å²	168.7	84%	0.84	76%	0.759	S	S	*	*	S	Bend	trans	-109.8	13.1	179.7	-83	-46.8	0	0	0	114.4
21	R	39.7	Very low	40.9	Very low	242 Å²	242	169.6 Å²	169.6	91%	0.913	77%	0.768	S	S	*	*	S	Bend	trans	-125.2	-2.4	177.5	-83.4	-174.7	175.4	178.9	-0.2	116.1
22	S	41.4	Very low	40.7	Very low	65 Å²	65	166.8 Å²	166.8	46%	0.455	77%	0.774	S	S	.	*	S	Bend	trans	-100.2	-17.1	-179	50.8	0	0	0	0	115	F24	S22-F24 PolarHBondContact O-N 3.4Å
23	D	42.1	Very low	40.5	Very low	136 Å²	136	163.8 Å²	163.8	73%	0.727	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	12.9	-169	-69.8	-0.7	0	0	0	114.9
24	F	40.8	Very low	40.4	Very low	204 Å²	204	167.8 Å²	167.8	90%	0.895	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	2.6	179.1	-104.8	-84.8	0	0	0	115.3	S22	S22-F24 PolarHBondContact O-N 3.4Å
25	Q	43.8	Very low	40.2	Very low	173 Å²	173	167.9 Å²	167.9	81%	0.808	77%	0.771	S	S	*	*	S	Bend	trans	-114.2	-12.7	-179.1	-75.9	-177.9	-12.5	0	0	115.8	R27	Q25-R27 PolarHBondContact O-N 3.27Å
26	D	43.6	Very low	40	Very low	158 Å²	158	168 Å²	168	85%	0.845	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	24.8	-177.7	-76.4	-22.5	0	0	0	115.6
27	R	39.9	Very low	39.8	Very low	241 Å²	241	170 Å²	170	91%	0.909	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	22.1	171.7	-74.9	-166.4	-175	176.1	3.9	114.7	Q25	Q25-R27 PolarHBondContact O-N 3.27Å
28	R	38.6	Very low	39.8	Very low	234 Å²	234	164.1 Å²	164.1	88%	0.883	78%	0.784	S	S	*	*	S	Bend	trans	-137.8	66.5	175.9	-74.3	-169.2	-179.2	-137.8	2.2	112.5
29	H	36.3	Very low	39.6	Very low	181 Å²	181	164.4 Å²	164.4	84%	0.838	80%	0.8	S	S	*	*			trans	-156.9	147.4	150.5	-130.2	-78	0	0	0	110
30	D	40	Very low	39.5	Very low	146 Å²	146	158.9 Å²	158.9	78%	0.781	80%	0.803	S	S	*	*			trans	94.3	63.9	178.7	-59	-15.7	0	0	0	117.3
31	F	36.2	Very low	39.6	Very low	213 Å²	213	159.6 Å²	159.6	93%	0.934	81%	0.807	S	S	*	*			trans	-114.1	98	147.5	-102.7	-88.3	0	0	0	108.5
32	S	39.2	Very low	39.5	Very low	104 Å²	104	158.4 Å²	158.4	73%	0.727	80%	0.802	S	S	*	*			trans	174.4	127.7	146.8	50.5	0	0	0	0	110.9
33	D	41.2	Very low	39.6	Very low	124 Å²	124	162.5 Å²	162.5	66%	0.663	82%	0.819	S	S	*	*			trans	70.2	126.4	155.3	-70.6	6.9	0	0	0	115.9
34	R	37.1	Very low	39.5	Very low	191 Å²	191	165 Å²	165	72%	0.721	82%	0.819	S	S	*	*			cis	174.5	156.9	28.6	-119.4	170.8	-149.8	-159.6	3.6	108.2
35	R	37.8	Very low	39.5	Very low	216 Å²	216	163.9 Å²	163.9	82%	0.815	82%	0.815	S	S	*	*			trans	83.7	102.4	158.8	-60.4	156.2	-167.4	-129.9	7.3	115.5
36	S	37.1	Very low	39.2	Very low	103 Å²	103	162.8 Å²	162.8	72%	0.72	81%	0.809	S	S	*	*				69.1	102.7	66.6	-167.4	0	0	0	0	113.4
37	F	40.3	Very low	39	Very low	209 Å²	209	164 Å²	164	92%	0.917	81%	0.807	S	S	*	*				172	139.5	124.8	-111.7	-91.7	0	0	0	113.2
38	G	39.1	Very low	39	Very low	75 Å²	75	162.4 Å²	162.4	77%	0.773	80%	0.801	S	S	*	*			trans	83.5	112.9	160.9	0	0	0	0	0	115.1
39	G	37.3	Very low	38.9	Very low	88 Å²	88	156.4 Å²	156.4	91%	0.907	80%	0.795	S	S	*	*				101.1	98.4	53.1	0	0	0	0	0	106.4
40	G	38.4	Very low	38.8	Very low	77 Å²	77	159.6 Å²	159.6	79%	0.794	80%	0.8	S	S	*	*				150.2	144.6	84.3	0	0	0	0	0	110.3
41	D	41.5	Very low	38.8	Very low	171 Å²	171	156.2 Å²	156.2	91%	0.914	79%	0.792	S	S	*	*			trans	74	131.9	158.9	-81.5	-39.4	0	0	0	125.5
42	R	39	Very low	38.8	Very low	217 Å²	217	153.4 Å²	153.4	82%	0.819	79%	0.786	S	S	*	*			trans	-98.8	152.9	-178.3	-65.4	169.7	170.1	169.2	-3	108.9
43	D	43.1	Very low	38.8	Very low	151 Å²	151	159.3 Å²	159.3	81%	0.807	80%	0.795	S	S	*	*				-172.9	113.8	130	-91.1	-28.6	0	0	0	108.9
44	Y	38.7	Very low	39	Very low	188 Å²	188	158.3 Å²	158.3	74%	0.737	80%	0.797	S	S	*	*				85.6	128.7	75	-116.4	-76.7	0	0	0	115.5
45	K	41.5	Very low	39.7	Very low	182 Å²	182	154.7 Å²	154.7	79%	0.791	80%	0.798	S	S	*	*			trans	96.9	103.6	158.8	-58.3	178.2	-178.4	166.8	0	116.5
46	H	37.8	Very low	40.1	Very low	150 Å²	150	150.2 Å²	150.2	69%	0.694	80%	0.797	S	S	*	*				70.7	117.3	76.7	-94.6	-52.9	0	0	0	115.3
47	F	39	Very low	40	Very low	183 Å²	183	153.5 Å²	153.5	80%	0.803	81%	0.806	S	S	*	*				158	102.4	122.9	-99.9	-90.5	0	0	0	108.7
48	R	39.4	Very low	40	Very low	207 Å²	207	149.9 Å²	149.9	78%	0.781	80%	0.796	S	S	*	*				59.8	102	96.1	-76.1	-167.6	180	-163	1.8	116
49	S	36.4	Very low	39.7	Very low	108 Å²	108	156.3 Å²	156.3	76%	0.755	80%	0.803	S	S	*	*				66.6	136.9	122.1	-53.3	0	0	0	0	121.7
50	R	34.5	Very low	39.7	Very low	249 Å²	249	162.6 Å²	162.6	94%	0.94	80%	0.799	S	S	*	*			trans	80.2	138.8	167.6	-76.6	176.8	170.5	168.2	-4	114.5
51	A	40.1	Very low	39.5	Very low	74 Å²	74	163.4 Å²	163.4	61%	0.612	79%	0.793	S	S	*	*			cis	-157.9	158	9.7	0	0	0	0	0	108.5
52	D	35.7	Very low	39.2	Very low	154 Å²	154	167 Å²	167	82%	0.824	79%	0.793	S	S	*	*			trans	36.5	91.5	145.6	-54	-34.4	0	0	0	117.7
53	Y	40.3	Very low	39	Very low	229 Å²	229	166.2 Å²	166.2	90%	0.898	79%	0.79	S	S	*	*			trans	-143	119.1	154.2	-129.7	-95.9	0	0	0	110.4
54	S	45.2	Very low	38.7	Very low	102 Å²	102	167.8 Å²	167.8	71%	0.713	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-49.3	140.5	173.7	-69	0	0	0	0	111.8
55	P	51.8	Low	38.5	Very low	115 Å²	115	169.8 Å²	169.8	75%	0.747	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-70.3	135.2	179.7	26.5	-27.4	0	0	0	109.6	L57	P55-L57 PolarHBondContact O-N 3.31Å
56	P	46.6	Very low	38.2	Very low	123 Å²	123	166.8 Å²	166.8	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-65.2	131.4	177.9	26.7	-31	0	0	0	109.5	N58	P56-N58 PolarHBondContact O-N 3.42Å
57	L	35.3	Very low	38.1	Very low	171 Å²	171	166.3 Å²	166.3	90%	0.895	79%	0.794	S	S	*	*	S	Bend	trans	-54.1	94.5	167.4	-69.5	159.3	0	0	0	109.5	P55	P55-L57 PolarHBondContact O-N 3.31Å
58	N	39	Very low	38	Very low	133 Å²	133	163.1 Å²	163.1	71%	0.711	79%	0.786	S	S	*	*			trans	-169.2	59.3	153	-100.1	-18.8	0	0	0	110.5	P56	P56-N58 PolarHBondContact O-N 3.42Å
59	K	34	Very low	37.8	Very low	210 Å²	210	158.9 Å²	158.9	91%	0.913	78%	0.783	S	S	*	*			trans	-103.3	79.5	151.2	-79.2	-178.8	178	176.4	0	106.7	S61	K59-S61 PolarHBondContact O-N 2.93Å
60	R	35.5	Very low	37.8	Very low	221 Å²	221	164.9 Å²	164.9	83%	0.834	79%	0.791	S	S	*	*			trans	-70.5	116.3	165.2	-76.7	-173.8	179.3	-163.7	-0.9	106.8
61	S	35.7	Very low	37.8	Very low	94 Å²	94	158.5 Å²	158.5	66%	0.657	78%	0.775	S	S	*	*			trans	-29.7	139.9	166.7	179.4	0	0	0	0	111.9	K59 R63	K59-S61 PolarHBondContact O-N 2.93Å; S61-R63 PolarHBondContact O-N 2.93Å
62	R	34.1	Very low	37.5	Very low	247 Å²	247	160.4 Å²	160.4	93%	0.932	78%	0.779	S	S	*	*			trans	-54	79.3	159.2	-173.7	-177.4	-158.8	178.6	4.5	107.6	E64	R62-E64 PolarHBondContact O-N 3.18Å
63	R	36.1	Very low	37.5	Very low	200 Å²	200	158.1 Å²	158.1	76%	0.755	78%	0.775	S	S	*	*			trans	-68	111.1	171.6	-86.1	-174	176.6	-159.1	-3.1	105.7	S61 W65	S61-R63 PolarHBondContact O-N 2.93Å; R63-W65 VanDerWaalsContact C-N 3.32Å; R63-W65 PolarHBondContact O-N 2.68Å
64	E	35.1	Very low	37.2	Very low	184 Å²	184	154.5 Å²	154.5	86%	0.86	77%	0.77	S	S	*	*			trans	-37.6	106.6	141.4	-73	163.7	149.4	0	0	106.9	R62 D66	R62-E64 PolarHBondContact O-N 3.18Å; E64-D66 PolarHBondContact O-N 3.46Å
65	W	36.4	Very low	36.8	Very low	229 Å²	229	159.2 Å²	159.2	87%	0.867	77%	0.772	S	S	*	*			trans	-74.4	86.1	166.2	-86.6	73.3	0	0	0	105.6	R63 D67	R63-W65 VanDerWaalsContact C-N 3.32Å; R63-W65 PolarHBondContact O-N 2.68Å; W65-D67 PolarHBondContact O-N 3.22Å
66	D	34.5	Very low	36	Very low	119 Å²	119	164.9 Å²	164.9	64%	0.636	78%	0.779	S	S	*	*			trans	-61.4	90.4	154.9	-144	-11.3	0	0	0	105.8	E64 N68	E64-D66 PolarHBondContact O-N 3.46Å; D66-N68 PolarHBondContact O-N 3.26Å; D66-N68 PolarHBondContact OD1-ND2 3.11Å
67	D	36.5	Very low	35.3	Very low	140 Å²	140	168 Å²	168	75%	0.749	78%	0.783	S	S	*	*			trans	-78	53.6	174	-162.1	21	0	0	0	109.5	W65	W65-D67 PolarHBondContact O-N 3.22Å
68	N	35.1	Very low	35.3	Very low	116 Å²	116	168.1 Å²	168.1	62%	0.62	78%	0.778	S	S	*	*			trans	-129.9	46.4	-176.1	-81.1	-47.3	0	0	0	110	D66	D66-N68 PolarHBondContact O-N 3.26Å; D66-N68 PolarHBondContact OD1-ND2 3.11Å
69	T	35.5	Very low	35.3	Very low	118 Å²	118	169.3 Å²	169.3	72%	0.724	78%	0.78	S	S	*	*	S	Bend	trans	-169	117.5	162.3	-4.4	0	0	0	0	109.3
70	Y	36.5	Very low	35.4	Very low	235 Å²	235	165 Å²	165	92%	0.922	77%	0.767	S	S	*	*	S	Bend	trans	95.6	41.8	-178.1	-76.5	-94.1	0	0	0	118.8
71	D	35.1	Very low	35.8	Very low	114 Å²	114	160.3 Å²	160.3	61%	0.61	76%	0.758	S	S	*	*	S	Bend	trans	-157.3	47	141.7	-160.2	10.2	0	0	0	111.8
72	T	33.7	Very low	36.3	Very low	114 Å²	114	159.5 Å²	159.5	70%	0.699	75%	0.746	S	S	*	*	S	Bend	trans	-126.5	13.1	-171.7	36.9	0	0	0	0	115
73	S	34.6	Very low	36.8	Very low	106 Å²	106	151.3 Å²	151.3	74%	0.741	73%	0.732	S	S	*	*	S	Bend	trans	-136.7	4.7	179.4	62.6	0	0	0	0	116.8
74	I	35.9	Very low	37.7	Very low	153 Å²	153	146.4 Å²	146.4	79%	0.785	73%	0.728	S	S	*	*	S	Bend	trans	-121.8	0.5	-177.5	-56.6	-178.5	0	0	0	113.4
75	R	36.3	Very low	39.1	Very low	201 Å²	201	139.9 Å²	139.9	76%	0.758	70%	0.699	S	S	*	*	S	Bend	trans	-114.9	18.3	177.1	-89.8	-177.6	162.7	170.4	-2.4	115.4
76	R	34.6	Very low	40.7	Very low	234 Å²	234	133.6 Å²	133.6	88%	0.883	69%	0.69	S	S	*	*	S	Bend	trans	-103.5	3.2	-176.7	-106.2	-175	-163.3	-159.6	5.2	115.8
77	E	31.7	Very low	42.9	Very low	189 Å²	189	132.9 Å²	132.9	88%	0.883	69%	0.692	S	S	*	*			trans	-122.4	15.2	-175.4	-69.3	-175.4	166.2	0	0	114.7	Q79	E77-Q79 PolarHBondContact O-N 3.17Å; E77-Q79 VanDerWaalsContact O-N 3.07Å
78	E	36.5	Very low	45.1	Very low	173 Å²	173	129 Å²	129	81%	0.808	67%	0.67	S	S	*	*	S	Bend	trans	-81.2	90.2	165.8	-74.7	179.4	178.6	0	0	109.4	N80	E78-N80 PolarHBondContact O-N 3.11Å; E78-N80 VanDerWaalsContact O-N 3.16Å
79	Q	37	Very low	47.4	Very low	159 Å²	159	126.3 Å²	126.3	74%	0.743	65%	0.654	S	S	*	*			trans	20.1	83.4	153.7	-77.7	168.6	-7.4	0	0	114.7	E77 D81	E77-Q79 PolarHBondContact O-N 3.17Å; E77-Q79 VanDerWaalsContact O-N 3.07Å; Q79-D81 PolarHBondContact O-N 3.25Å
80	N	37.9	Very low	50	Low	119 Å²	119	123 Å²	123	64%	0.636	63%	0.634	S	S	*	*			trans	-73.1	80.9	160.3	-167.8	23	0	0	0	107.6	E78 N82 A83	E78-N80 PolarHBondContact O-N 3.11Å; E78-N80 VanDerWaalsContact O-N 3.16Å; N80-N82 PolarHBondContact O-N 3.13Å; N80-A83 WeakPolarHBondContact O-CB 3.27Å; N80-A83 PolarHBondContact O-N 3.3Å
81	D	42	Very low	52.3	Low	123 Å²	123	113.7 Å²	113.7	66%	0.658	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-2.7	179.4	-67.8	-26.8	0	0	0	113.3	Q79 A83	Q79-D81 PolarHBondContact O-N 3.25Å; D81-A83 VanDerWaalsContact C-N 3.32Å
82	N	46.2	Very low	54.8	Low	76 Å²	76	116 Å²	116	41%	0.406	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	0.6	168.1	-93.7	-0.3	0	0	0	114.3	N80 S84	N80-N82 PolarHBondContact O-N 3.13Å; N82-S84 VanDerWaalsContact C-N 3.27Å; N82-S84 PolarHBondContact O-N 3.19Å
83	A	45.6	Very low	57.4	Low	76 Å²	76	115.6 Å²	115.6	63%	0.628	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	12.2	-173	0	0	0	0	0	115.7	N80 D81	N80-A83 WeakPolarHBondContact O-CB 3.27Å; N80-A83 PolarHBondContact O-N 3.3Å; D81-A83 VanDerWaalsContact C-N 3.32Å
84	S	55.2	Low	60	Low	97 Å²	97	111.1 Å²	111.1	68%	0.678	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-21.8	-177.7	74.3	0	0	0	0	114.5	N82	N82-S84 VanDerWaalsContact C-N 3.27Å; N82-S84 PolarHBondContact O-N 3.19Å
85	I	63.5	Low	62.5	Low	47 Å²	47	106.8 Å²	106.8	24%	0.241	54%	0.539	C	S	.	.	S	Bend	trans	-110.2	121.9	-179.6	-61	178.4	0	0	0	109.7	Y118 Q121 Q122 A125	I85-Y118 HydrophobicContact CG2-CD2 4.36Å; I85-Y118 HydrophobicContact CG2-CE2 3.54Å; I85-Q121 VanDerWaalsContact CD1-C 3.48Å; I85-Q121 HydrophobicContact CD1-CB 4.26Å; I85-Q121 VanDerWaalsContact CD1-O 3.27Å; I85-Q121 WeakPolarHBondContact CD1-O 3.41Å; I85-Q122 HydrophobicContact CD1-CB 4.43Å; I85-A125 HydrophobicContact CD1-CB 3.3Å; I85-A125 HydrophobicContact CG1-CB 4.04Å
86	S	71.4	Confident	64.9	Low	97 Å²	97	102.1 Å²	102.1	68%	0.678	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-61.1	142.3	172.8	-66.3	0	0	0	0	109.9	Y118	S86-Y118 WeakPolarHBondContact O-CE2 3.33Å; S86-Y118 PolarHBondContact O-OH 2.85Å
87	P	80.1	Confident	67.3	Low	104 Å²	104	94.4 Å²	94.4	68%	0.675	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-51.9	146.9	177.3	-25.2	33.3	0	0	0	112.4	M89	P87-M89 PolarHBondContact O-N 3.03Å
88	M	83.3	Confident	69.9	Low	58 Å²	58	87.6 Å²	87.6	29%	0.286	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-54.1	129.3	180	-167.2	173.3	173	0	0	111	T90 Y114 K115 Y118	M88-T90 PolarHBondContact O-N 3.35Å; M88-Y114 HydrophobicContact CG-CE1 4.23Å; M88-K115 HydrophobicContact CE-CB 3.65Å; M88-K115 HydrophobicContact CE-CD 3.52Å; M88-K115 HydrophobicContact CE-CG 3.26Å; M88-Y118 HydrophobicContact CB-CD1 3.86Å; M88-Y118 HydrophobicContact CB-CD2 4.48Å; M88-Y118 HydrophobicContact CB-CE1 3.47Å; M88-Y118 VanDerWaalsContact CB-CE1 3.47Å; M88-Y118 HydrophobicContact CB-CE2 4.13Å; M88-Y118 HydrophobicContact CB-CG 4.35Å; M88-Y118 HydrophobicContact CG-CD1 3.7Å; M88-Y118 HydrophobicContact CG-CD2 4.47Å; M88-Y118 HydrophobicContact CG-CE1 3.87Å; M88-Y118 HydrophobicContact CG-CG 4.02Å; M88-Y118 VanDerWaalsContact N-CZ 3.33Å; M88-Y118 PolarHBondContact N-OH 3.3Å; M88-Y118 HydrophobicContact SD-CD1 3.86Å; M88-Y118 HydrophobicContact SD-CE1 4.18Å
89	M	83.2	Confident	72.2	Confident	59 Å²	59	85.3 Å²	85.3	29%	0.291	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-68.3	130.1	175.4	-67.5	-173.3	-71.5	0	0	109.9	P87 Q93 F94 Y111 Y114	P87-M89 PolarHBondContact O-N 3.03Å; M89-Q93 HydrophobicContact CB-CB 3.99Å; M89-Q93 HydrophobicContact CG-CB 4.33Å; M89-F94 HydrophobicContact CB-CB 4.42Å; M89-F94 HydrophobicContact CE-CD2 3.98Å; M89-Y111 WeakPolarHBondContact O-CE2 3.35Å; M89-Y111 PolarHBondContact O-OH 3.27Å; M89-Y114 HydrophobicContact CB-CE1 3.85Å; M89-Y114 WeakPolarHBondContact CB-OH 3.33Å; M89-Y114 HydrophobicContact CE-CD2 4.14Å; M89-Y114 HydrophobicContact CE-CE1 4.17Å; M89-Y114 HydrophobicContact CE-CE2 3.42Å; M89-Y114 VanDerWaalsContact CE-CE2 3.42Å; M89-Y114 VanDerWaalsContact CE-CZ 3.45Å; M89-Y114 WeakPolarHBondContact CG-OH 3.39Å; M89-Y114 PolarHBondContact N-OH 3Å
90	T	88.9	Confident	74.4	Confident	50 Å²	50	85.4 Å²	85.4	31%	0.307	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-58.2	155.1	165.2	56.7	0	0	0	0	109.9	M88 K92 Q93 F94 D756	M88-T90 PolarHBondContact O-N 3.35Å; T90-K92 PolarHBondContact O-N 3.32Å; T90-K92 VanDerWaalsContact O-N 3.1Å; T90-Q93 VanDerWaalsContact N-OE1 3.12Å; T90-Q93 PolarHBondContact O-N 3.11Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.49Å; T90-Q93 VanDerWaalsContact OG1-CG 3.28Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.32Å; T90-Q93 PolarHBondContact OG1-N 3.29Å; T90-Q93 PolarHBondContact OG1-OE1 3.12Å; T90-F94 PolarHBondContact O-N 2.94Å; T90-D756 WeakPolarHBondContact CB-OD2 3.47Å
91	F	86.4	Confident	76.6	Confident	39 Å²	39	90.2 Å²	90.2	17%	0.171	50%	0.496	C	S	.	.	H	α-helix	trans	-52.9	-38.1	177.6	-176.7	-126.5	0	0	0	111.8	F94 L95 A107 Y111 L755 D756	F91-F94 PolarHBondContact O-N 2.67Å; F91-L95 HydrophobicContact CD1-CD1 3.86Å; F91-L95 HydrophobicContact CD1-CG 4.47Å; F91-L95 HydrophobicContact CD2-CG 4.27Å; F91-L95 HydrophobicContact CE1-CD1 3.51Å; F91-L95 HydrophobicContact CE1-CG 4.19Å; F91-L95 HydrophobicContact CE2-CD1 4.22Å; F91-L95 HydrophobicContact CE2-CD2 4.19Å; F91-L95 HydrophobicContact CE2-CG 3.99Å; F91-L95 HydrophobicContact CG-CD1 4.37Å; F91-L95 HydrophobicContact CZ-CD1 3.72Å; F91-L95 HydrophobicContact CZ-CD2 4.08Å; F91-L95 HydrophobicContact CZ-CG 3.95Å; F91-L95 WeakPolarHBondContact O-CB 3.48Å; F91-L95 WeakPolarHBondContact O-CG 3.4Å; F91-L95 PolarHBondContact O-N 3.31Å; F91-A107 HydrophobicContact CZ-CB 4.39Å; F91-Y111 HydrophobicContact CB-CD1 4.07Å; F91-Y111 HydrophobicContact CB-CE1 3.63Å; F91-Y111 HydrophobicContact CB-CE2 4.31Å; F91-Y111 AromaticContact CD2-CD1 3.34Å; F91-Y111 HydrophobicContact CD2-CD1 3.34Å; F91-Y111 AromaticContact CD2-CD2 3.87Å; F91-Y111 HydrophobicContact CD2-CD2 3.87Å; F91-Y111 AromaticContact CD2-CE1 3.85Å; F91-Y111 HydrophobicContact CD2-CE1 3.85Å; F91-Y111 HydrophobicContact CD2-CE2 4.35Å; F91-Y111 AromaticContact CD2-CG 3.36Å; F91-Y111 HydrophobicContact CD2-CG 3.36Å; F91-Y111 HydrophobicContact CE2-CD1 4.08Å; F91-Y111 AromaticContact CE2-CG 3.95Å; F91-Y111 HydrophobicContact CE2-CG 3.95Å; F91-Y111 HydrophobicContact CG-CD1 4.03Å; F91-Y111 HydrophobicContact CG-CE1 4.12Å; F91-Y111 HydrophobicContact CG-CG 4.38Å; F91-Y111 PolarHBondContact N-OH 3.03Å; F91-L755 HydrophobicContact CD1-CD1 3.86Å; F91-L755 HydrophobicContact CE1-CD1 3.92Å; F91-L755 HydrophobicContact CG-CD1 4.44Å; F91-D756 WeakPolarHBondContact CB-OD1 3.31Å; F91-D756 PolarHBondContact N-OD1 2.84Å
92	K	87.9	Confident	78.6	Confident	162 Å²	162	85.9 Å²	85.9	70%	0.704	47%	0.473	S	S	*	.	H	α-helix	trans	-62.3	-45	175.5	-175.9	178.7	178.7	-179.3	0	113.3	T90 S96	T90-K92 PolarHBondContact O-N 3.32Å; T90-K92 VanDerWaalsContact O-N 3.1Å; K92-S96 PolarHBondContact O-N 2.71Å; K92-S96 PolarHBondContact O-OG 2.88Å
93	Q	88	Confident	80.6	Confident	105 Å²	105	85.6 Å²	85.6	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-41.2	177.1	-76.8	167.2	-21.9	0	0	111.1	M89 T90 S96	M89-Q93 HydrophobicContact CB-CB 3.99Å; M89-Q93 HydrophobicContact CG-CB 4.33Å; T90-Q93 VanDerWaalsContact N-OE1 3.12Å; T90-Q93 PolarHBondContact O-N 3.11Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.49Å; T90-Q93 VanDerWaalsContact OG1-CG 3.28Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.32Å; T90-Q93 PolarHBondContact OG1-N 3.29Å; T90-Q93 PolarHBondContact OG1-OE1 3.12Å; Q93-S96 WeakPolarHBondContact O-CB 3.14Å; Q93-S96 PolarHBondContact O-N 3.49Å
94	F	88.7	Confident	82.5	Confident	13 Å²	13	88.5 Å²	88.5	6%	0.057	48%	0.479	C	S	.	.	H	α-helix	trans	-61.2	-48.1	176.2	-179.9	-99.4	0	0	0	111.5	M89 T90 F91 S96 S97 Q98 K110 Y111 Y114	M89-F94 HydrophobicContact CB-CB 4.42Å; M89-F94 HydrophobicContact CE-CD2 3.98Å; T90-F94 PolarHBondContact O-N 2.94Å; F91-F94 PolarHBondContact O-N 2.67Å; F94-S96 PolarHBondContact O-N 3.16Å; F94-S97 WeakPolarHBondContact O-CB 3.45Å; F94-S97 PolarHBondContact O-N 3.01Å; F94-S97 PolarHBondContact O-OG 2.92Å; F94-Q98 HydrophobicContact CD1-CG 4.21Å; F94-Q98 HydrophobicContact CE1-CG 3.84Å; F94-Q98 HydrophobicContact CZ-CG 4.2Å; F94-K110 HydrophobicContact CE1-CB 3.94Å; F94-K110 HydrophobicContact CZ-CB 3.88Å; F94-Y111 HydrophobicContact CB-CD2 3.65Å; F94-Y111 HydrophobicContact CB-CE2 3.81Å; F94-Y111 AromaticContact CD1-CD2 3.62Å; F94-Y111 HydrophobicContact CD1-CD2 3.62Å; F94-Y111 HydrophobicContact CD1-CG 4.21Å; F94-Y111 HydrophobicContact CD2-CD2 4.22Å; F94-Y111 HydrophobicContact CE1-CD2 4.32Å; F94-Y111 AromaticContact CG-CD2 3.55Å; F94-Y111 HydrophobicContact CG-CD2 3.55Å; F94-Y111 HydrophobicContact CG-CE2 4.18Å; F94-Y114 AromaticContact CD2-CD1 3.85Å; F94-Y114 HydrophobicContact CD2-CD1 3.85Å; F94-Y114 HydrophobicContact CD2-CD2 4.11Å; F94-Y114 HydrophobicContact CD2-CE1 4.42Å; F94-Y114 AromaticContact CD2-CG 3.68Å; F94-Y114 HydrophobicContact CD2-CG 3.68Å; F94-Y114 HydrophobicContact CE2-CD1 4.28Å; F94-Y114 HydrophobicContact CE2-CD2 4.03Å; F94-Y114 AromaticContact CE2-CG 3.66Å; F94-Y114 HydrophobicContact CE2-CG 3.66Å; F94-Y114 HydrophobicContact CG-CD1 4.47Å
95	L	87.4	Confident	84.1	Confident	62 Å²	62	91.4 Å²	91.4	33%	0.325	48%	0.482	S	S	.	.	H	α-helix	trans	-57	-38.1	176.2	-79.9	176.8	0	0	0	112.8	F91 S97 Q98 A107	F91-L95 HydrophobicContact CD1-CD1 3.86Å; F91-L95 HydrophobicContact CD1-CG 4.47Å; F91-L95 HydrophobicContact CD2-CG 4.27Å; F91-L95 HydrophobicContact CE1-CD1 3.51Å; F91-L95 HydrophobicContact CE1-CG 4.19Å; F91-L95 HydrophobicContact CE2-CD1 4.22Å; F91-L95 HydrophobicContact CE2-CD2 4.19Å; F91-L95 HydrophobicContact CE2-CG 3.99Å; F91-L95 HydrophobicContact CG-CD1 4.37Å; F91-L95 HydrophobicContact CZ-CD1 3.72Å; F91-L95 HydrophobicContact CZ-CD2 4.08Å; F91-L95 HydrophobicContact CZ-CG 3.95Å; F91-L95 WeakPolarHBondContact O-CB 3.48Å; F91-L95 WeakPolarHBondContact O-CG 3.4Å; F91-L95 PolarHBondContact O-N 3.31Å; L95-S97 PolarHBondContact O-N 3.33Å; L95-S97 VanDerWaalsContact O-N 3.09Å; L95-Q98 PolarHBondContact O-N 3.42Å; L95-A107 HydrophobicContact CD2-CB 3.67Å
96	S	87	Confident	85.3	Confident	103 Å²	103	94.1 Å²	94.1	72%	0.72	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.8	179	-53.9	0	0	0	0	113.5	K92 Q93 F94	K92-S96 PolarHBondContact O-N 2.71Å; K92-S96 PolarHBondContact O-OG 2.88Å; Q93-S96 WeakPolarHBondContact O-CB 3.14Å; Q93-S96 PolarHBondContact O-N 3.49Å; F94-S96 PolarHBondContact O-N 3.16Å
97	S	86.3	Confident	86.2	Confident	72 Å²	72	89.7 Å²	89.7	50%	0.503	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-8.5	175.8	74.4	0	0	0	0	114	F94 L95	F94-S97 WeakPolarHBondContact O-CB 3.45Å; F94-S97 PolarHBondContact O-N 3.01Å; F94-S97 PolarHBondContact O-OG 2.92Å; L95-S97 PolarHBondContact O-N 3.33Å; L95-S97 VanDerWaalsContact O-N 3.09Å
98	Q	86.3	Confident	86.5	Confident	46 Å²	46	88.7 Å²	88.7	22%	0.215	45%	0.45	C	S	.	.	S	Bend	trans	-93.2	163.6	178.8	-60.2	-57.7	-62.8	0	0	110.9	F94 L95 I102	F94-Q98 HydrophobicContact CD1-CG 4.21Å; F94-Q98 HydrophobicContact CE1-CG 3.84Å; F94-Q98 HydrophobicContact CZ-CG 4.2Å; L95-Q98 PolarHBondContact O-N 3.42Å; Q98-I102 HydrophobicContact CB-CD1 4.2Å; Q98-I102 HydrophobicContact CB-CG2 4.34Å; Q98-I102 HydrophobicContact CG-CD1 4.25Å
99	D	85.1	Confident	86.8	Confident	124 Å²	124	92.1 Å²	92.1	66%	0.663	46%	0.463	S	S	*	.			trans	-64.2	141.4	176.3	-62.5	-37.6	0	0	0	111.6	Y101 I102	D99-Y101 PolarHBondContact O-N 3.48Å; D99-I102 WeakPolarHBondContact O-CB 3.05Å; D99-I102 WeakPolarHBondContact O-CG2 3.47Å; D99-I102 PolarHBondContact O-N 3.01Å
100	D	82.1	Confident	87.2	Confident	162 Å²	162	93 Å²	93	87%	0.866	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.4	-179.2	-67.5	-28.4	0	0	0	114.3
101	Y	83.8	Confident	87.2	Confident	219 Å²	219	91.2 Å²	91.2	86%	0.859	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	8.3	-179	-60.1	-78.6	0	0	0	114	D99 T103	D99-Y101 PolarHBondContact O-N 3.48Å; Y101-T103 PolarHBondContact O-N 3.3Å
102	I	84.8	Confident	87.4	Confident	32 Å²	32	95.2 Å²	95.2	16%	0.164	47%	0.473	C	S	.	.			trans	-63.2	134.2	176.6	-166	168.2	0	0	0	110.6	Q98 D99 E106 A107 K110	Q98-I102 HydrophobicContact CB-CD1 4.2Å; Q98-I102 HydrophobicContact CB-CG2 4.34Å; Q98-I102 HydrophobicContact CG-CD1 4.25Å; D99-I102 WeakPolarHBondContact O-CB 3.05Å; D99-I102 WeakPolarHBondContact O-CG2 3.47Å; D99-I102 PolarHBondContact O-N 3.01Å; I102-E106 HydrophobicContact CD1-CB 4.3Å; I102-E106 HydrophobicContact CG1-CB 3.83Å; I102-A107 HydrophobicContact CD1-CB 3.94Å; I102-A107 HydrophobicContact CG1-CB 4.1Å; I102-A107 HydrophobicContact CG2-CB 4.18Å; I102-K110 HydrophobicContact CD1-CD 3.74Å
103	T	87.9	Confident	87.5	Confident	70 Å²	70	92 Å²	92	43%	0.429	46%	0.46	S	S	.	.			trans	-74.6	152.9	175.2	60.1	0	0	0	0	111	Y101 E105 E106 A107	Y101-T103 PolarHBondContact O-N 3.3Å; T103-E105 PolarHBondContact O-N 3.12Å; T103-E106 PolarHBondContact N-OE2 3.12Å; T103-E106 PolarHBondContact O-N 3.49Å; T103-E106 VanDerWaalsContact O-N 3.16Å; T103-E106 VanDerWaalsContact OG1-CB 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.18Å; T103-E106 WeakPolarHBondContact OG1-CG 3.31Å; T103-E106 PolarHBondContact OG1-N 2.95Å; T103-E106 PolarHBondContact OG1-OE2 2.99Å; T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 3.14Å
104	D	86.3	Confident	87.5	Confident	137 Å²	137	89.2 Å²	89.2	73%	0.733	45%	0.445	S	S	*	.	H	α-helix	trans	-55.3	-40.7	179.3	-66.8	-9.4	0	0	0	112	A107 M108	D104-A107 PolarHBondContact O-N 3.04Å; D104-M108 WeakPolarHBondContact O-CG 3.49Å; D104-M108 PolarHBondContact O-N 3.01Å
105	E	88.2	Confident	87.5	Confident	158 Å²	158	90.9 Å²	90.9	74%	0.738	45%	0.453	S	S	*	.	H	α-helix	trans	-66.2	-44.7	178.3	-65.8	-175.3	177.2	0	0	112.2	T103 M108 K109	T103-E105 PolarHBondContact O-N 3.12Å; E105-M108 HydrophobicContact CG-CE 4.48Å; E105-M108 PolarHBondContact O-N 3.19Å; E105-K109 WeakPolarHBondContact O-CB 3.49Å; E105-K109 PolarHBondContact O-N 3.26Å
106	E	89.6	Confident	87.5	Confident	105 Å²	105	91.8 Å²	91.8	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-66.9	-37.9	176.3	-72.5	170	159.1	0	0	111.8	I102 T103 K109 K110	I102-E106 HydrophobicContact CD1-CB 4.3Å; I102-E106 HydrophobicContact CG1-CB 3.83Å; T103-E106 PolarHBondContact N-OE2 3.12Å; T103-E106 PolarHBondContact O-N 3.49Å; T103-E106 VanDerWaalsContact O-N 3.16Å; T103-E106 VanDerWaalsContact OG1-CB 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.18Å; T103-E106 WeakPolarHBondContact OG1-CG 3.31Å; T103-E106 PolarHBondContact OG1-N 2.95Å; T103-E106 PolarHBondContact OG1-OE2 2.99Å; E106-K109 PolarHBondContact O-N 3.33Å; E106-K110 WeakPolarHBondContact O-CB 3.39Å; E106-K110 WeakPolarHBondContact O-CG 3.3Å; E106-K110 PolarHBondContact O-N 3.13Å
107	A	88.3	Confident	87.6	Confident	3 Å²	3	90.3 Å²	90.3	3%	0.025	44%	0.441	C	S	.	.	H	α-helix	trans	-63.4	-44.5	177.2	0	0	0	0	0	111.8	F91 L95 I102 T103 D104 Y111	F91-A107 HydrophobicContact CZ-CB 4.39Å; L95-A107 HydrophobicContact CD2-CB 3.67Å; I102-A107 HydrophobicContact CD1-CB 3.94Å; I102-A107 HydrophobicContact CG1-CB 4.1Å; I102-A107 HydrophobicContact CG2-CB 4.18Å; T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 3.14Å; D104-A107 PolarHBondContact O-N 3.04Å; A107-Y111 VanDerWaalsContact O-CB 3.26Å; A107-Y111 WeakPolarHBondContact O-CB 3.37Å; A107-Y111 PolarHBondContact O-N 3.15Å
108	M	87.6	Confident	87.6	Confident	84 Å²	84	87.7 Å²	87.7	41%	0.414	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-45.4	174.8	-73.1	-174.2	-66	0	0	111.5	D104 E105 Y111 Q112	D104-M108 WeakPolarHBondContact O-CG 3.49Å; D104-M108 PolarHBondContact O-N 3.01Å; E105-M108 HydrophobicContact CG-CE 4.48Å; E105-M108 PolarHBondContact O-N 3.19Å; M108-Y111 PolarHBondContact O-N 3.35Å; M108-Q112 WeakPolarHBondContact O-CG 3.46Å; M108-Q112 PolarHBondContact O-N 3.19Å
109	K	90.3	Very high	87.6	Confident	129 Å²	129	90.4 Å²	90.4	56%	0.561	43%	0.429	S	S	*	.	H	α-helix	trans	-62.7	-49.8	179.2	-172.4	-176.3	177	-171.1	0	111.8	E105 E106 Y111 Q112 E113	E105-K109 WeakPolarHBondContact O-CB 3.49Å; E105-K109 PolarHBondContact O-N 3.26Å; E106-K109 PolarHBondContact O-N 3.33Å; K109-Y111 VanDerWaalsContact C-N 3.26Å; K109-Y111 PolarHBondContact O-N 3.25Å; K109-Q112 PolarHBondContact O-N 3.49Å; K109-E113 VanDerWaalsContact CE-OE1 3.28Å; K109-E113 WeakPolarHBondContact CE-OE1 3.47Å; K109-E113 WeakPolarHBondContact O-CG 3.33Å; K109-E113 PolarHBondContact O-N 3.35Å
110	K	90.3	Very high	87.8	Confident	79 Å²	79	87.8 Å²	87.8	34%	0.343	41%	0.412	S	S	.	.	H	α-helix	trans	-61.7	-35.6	176.6	-73.2	-170.2	-170.1	171.6	0	111.9	F94 I102 E106 E113 Y114	F94-K110 HydrophobicContact CE1-CB 3.94Å; F94-K110 HydrophobicContact CZ-CB 3.88Å; I102-K110 HydrophobicContact CD1-CD 3.74Å; E106-K110 WeakPolarHBondContact O-CB 3.39Å; E106-K110 WeakPolarHBondContact O-CG 3.3Å; E106-K110 PolarHBondContact O-N 3.13Å; K110-E113 PolarHBondContact O-N 2.94Å; K110-Y114 WeakPolarHBondContact O-CB 3.27Å; K110-Y114 PolarHBondContact O-N 3.5Å
111	Y	89.6	Confident	88.1	Confident	11 Å²	11	85.7 Å²	85.7	4%	0.043	40%	0.396	C	S	.	.	H	α-helix	trans	-68.7	-41	176	-173.2	-124.1	0	0	0	112	M89 F91 F94 A107 M108 K109 Y114 K115 D756	M89-Y111 WeakPolarHBondContact O-CE2 3.35Å; M89-Y111 PolarHBondContact O-OH 3.27Å; F91-Y111 HydrophobicContact CB-CD1 4.07Å; F91-Y111 HydrophobicContact CB-CE1 3.63Å; F91-Y111 HydrophobicContact CB-CE2 4.31Å; F91-Y111 AromaticContact CD2-CD1 3.34Å; F91-Y111 HydrophobicContact CD2-CD1 3.34Å; F91-Y111 AromaticContact CD2-CD2 3.87Å; F91-Y111 HydrophobicContact CD2-CD2 3.87Å; F91-Y111 AromaticContact CD2-CE1 3.85Å; F91-Y111 HydrophobicContact CD2-CE1 3.85Å; F91-Y111 HydrophobicContact CD2-CE2 4.35Å; F91-Y111 AromaticContact CD2-CG 3.36Å; F91-Y111 HydrophobicContact CD2-CG 3.36Å; F91-Y111 HydrophobicContact CE2-CD1 4.08Å; F91-Y111 AromaticContact CE2-CG 3.95Å; F91-Y111 HydrophobicContact CE2-CG 3.95Å; F91-Y111 HydrophobicContact CG-CD1 4.03Å; F91-Y111 HydrophobicContact CG-CE1 4.12Å; F91-Y111 HydrophobicContact CG-CG 4.38Å; F91-Y111 PolarHBondContact N-OH 3.03Å; F94-Y111 HydrophobicContact CB-CD2 3.65Å; F94-Y111 HydrophobicContact CB-CE2 3.81Å; F94-Y111 AromaticContact CD1-CD2 3.62Å; F94-Y111 HydrophobicContact CD1-CD2 3.62Å; F94-Y111 HydrophobicContact CD1-CG 4.21Å; F94-Y111 HydrophobicContact CD2-CD2 4.22Å; F94-Y111 HydrophobicContact CE1-CD2 4.32Å; F94-Y111 AromaticContact CG-CD2 3.55Å; F94-Y111 HydrophobicContact CG-CD2 3.55Å; F94-Y111 HydrophobicContact CG-CE2 4.18Å; A107-Y111 VanDerWaalsContact O-CB 3.26Å; A107-Y111 WeakPolarHBondContact O-CB 3.37Å; A107-Y111 PolarHBondContact O-N 3.15Å; M108-Y111 PolarHBondContact O-N 3.35Å; K109-Y111 VanDerWaalsContact C-N 3.26Å; K109-Y111 PolarHBondContact O-N 3.25Å; Y111-Y114 AromaticContact CD2-CD1 3.84Å; Y111-Y114 HydrophobicContact CD2-CD1 3.84Å; Y111-Y114 AromaticContact CE2-CD1 3.75Å; Y111-Y114 HydrophobicContact CE2-CD1 3.75Å; Y111-Y114 HydrophobicContact CE2-CE1 4.14Å; Y111-Y114 CarbonylContact O-C 3.47Å; Y111-Y114 WeakPolarHBondContact O-CB 3.21Å; Y111-Y114 PolarHBondContact O-N 2.85Å; Y111-K115 HydrophobicContact CD1-CG 4.3Å; Y111-K115 HydrophobicContact CE1-CD 4.16Å; Y111-K115 HydrophobicContact CE1-CG 4.13Å; Y111-K115 WeakPolarHBondContact O-CG 2.97Å; Y111-K115 PolarHBondContact O-N 2.96Å; Y111-D756 PolarHBondContact OH-OD1 2.83Å; Y111-D756 VanDerWaalsContact OH-OD1 3.06Å
112	Q	89.2	Confident	88.2	Confident	124 Å²	124	77.4 Å²	77.4	58%	0.579	37%	0.366	S	S	*	.	H	α-helix	trans	-61.3	-43.5	173.1	-73	174.3	1.2	0	0	111.8	M108 K109 K115 L116	M108-Q112 WeakPolarHBondContact O-CG 3.46Å; M108-Q112 PolarHBondContact O-N 3.19Å; K109-Q112 PolarHBondContact O-N 3.49Å; Q112-K115 WeakPolarHBondContact O-CB 3.5Å; Q112-K115 PolarHBondContact O-N 3.06Å; Q112-L116 WeakPolarHBondContact O-CG 3.2Å; Q112-L116 PolarHBondContact O-N 2.98Å
113	E	89.9	Confident	88.4	Confident	95 Å²	95	76.2 Å²	76.2	44%	0.444	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-45.9	173.2	-72.1	172.6	-174.7	0	0	111.1	K109 K110 K115 L116 D117	K109-E113 VanDerWaalsContact CE-OE1 3.28Å; K109-E113 WeakPolarHBondContact CE-OE1 3.47Å; K109-E113 WeakPolarHBondContact O-CG 3.33Å; K109-E113 PolarHBondContact O-N 3.35Å; K110-E113 PolarHBondContact O-N 2.94Å; E113-K115 PolarHBondContact O-N 2.95Å; E113-L116 PolarHBondContact O-N 3.05Å; E113-D117 WeakPolarHBondContact O-CB 2.94Å; E113-D117 PolarHBondContact O-N 3.27Å
114	Y	90	Very high	88.5	Confident	45 Å²	45	76 Å²	76	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-43.7	173.6	168.6	-101.4	0	0	0	112.4	M88 M89 F94 K110 Y111 L116 D117 Y118	M88-Y114 HydrophobicContact CG-CE1 4.23Å; M89-Y114 HydrophobicContact CB-CE1 3.85Å; M89-Y114 WeakPolarHBondContact CB-OH 3.33Å; M89-Y114 HydrophobicContact CE-CD2 4.14Å; M89-Y114 HydrophobicContact CE-CE1 4.17Å; M89-Y114 HydrophobicContact CE-CE2 3.42Å; M89-Y114 VanDerWaalsContact CE-CE2 3.42Å; M89-Y114 VanDerWaalsContact CE-CZ 3.45Å; M89-Y114 WeakPolarHBondContact CG-OH 3.39Å; M89-Y114 PolarHBondContact N-OH 3Å; F94-Y114 AromaticContact CD2-CD1 3.85Å; F94-Y114 HydrophobicContact CD2-CD1 3.85Å; F94-Y114 HydrophobicContact CD2-CD2 4.11Å; F94-Y114 HydrophobicContact CD2-CE1 4.42Å; F94-Y114 AromaticContact CD2-CG 3.68Å; F94-Y114 HydrophobicContact CD2-CG 3.68Å; F94-Y114 HydrophobicContact CE2-CD1 4.28Å; F94-Y114 HydrophobicContact CE2-CD2 4.03Å; F94-Y114 AromaticContact CE2-CG 3.66Å; F94-Y114 HydrophobicContact CE2-CG 3.66Å; F94-Y114 HydrophobicContact CG-CD1 4.47Å; K110-Y114 WeakPolarHBondContact O-CB 3.27Å; K110-Y114 PolarHBondContact O-N 3.5Å; Y111-Y114 AromaticContact CD2-CD1 3.84Å; Y111-Y114 HydrophobicContact CD2-CD1 3.84Å; Y111-Y114 AromaticContact CE2-CD1 3.75Å; Y111-Y114 HydrophobicContact CE2-CD1 3.75Å; Y111-Y114 HydrophobicContact CE2-CE1 4.14Å; Y111-Y114 CarbonylContact O-C 3.47Å; Y111-Y114 WeakPolarHBondContact O-CB 3.21Å; Y111-Y114 PolarHBondContact O-N 2.85Å; Y114-L116 VanDerWaalsContact C-N 3.33Å; Y114-L116 PolarHBondContact O-N 3.14Å; Y114-D117 PolarHBondContact O-N 3.41Å; Y114-Y118 WeakPolarHBondContact O-CB 3.46Å; Y114-Y118 PolarHBondContact O-N 3.22Å
115	K	88	Confident	88.5	Confident	49 Å²	49	70.5 Å²	70.5	21%	0.213	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-46.3	176.4	-64.7	-149.3	172.2	-174.6	0	111.3	M88 Y111 Q112 E113 R119 L755	M88-K115 HydrophobicContact CE-CB 3.65Å; M88-K115 HydrophobicContact CE-CD 3.52Å; M88-K115 HydrophobicContact CE-CG 3.26Å; Y111-K115 HydrophobicContact CD1-CG 4.3Å; Y111-K115 HydrophobicContact CE1-CD 4.16Å; Y111-K115 HydrophobicContact CE1-CG 4.13Å; Y111-K115 WeakPolarHBondContact O-CG 2.97Å; Y111-K115 PolarHBondContact O-N 2.96Å; Q112-K115 WeakPolarHBondContact O-CB 3.5Å; Q112-K115 PolarHBondContact O-N 3.06Å; E113-K115 PolarHBondContact O-N 2.95Å; K115-R119 WeakPolarHBondContact O-CB 3.35Å; K115-R119 PolarHBondContact O-N 3.21Å; K115-L755 WeakPolarHBondContact CE-O 3.36Å; K115-L755 PolarHBondContact NZ-O 3Å
116	L	87.1	Confident	88.6	Confident	80 Å²	80	63.2 Å²	63.2	42%	0.419	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-46.1	179.9	-71.2	176.1	0	0	0	111	Q112 E113 Y114 R119 K120	Q112-L116 WeakPolarHBondContact O-CG 3.2Å; Q112-L116 PolarHBondContact O-N 2.98Å; E113-L116 PolarHBondContact O-N 3.05Å; Y114-L116 VanDerWaalsContact C-N 3.33Å; Y114-L116 PolarHBondContact O-N 3.14Å; L116-R119 WeakPolarHBondContact O-CB 3.37Å; L116-R119 PolarHBondContact O-N 2.78Å; L116-K120 WeakPolarHBondContact O-CG 3.36Å; L116-K120 PolarHBondContact O-N 3.5Å
117	D	88	Confident	88.6	Confident	73 Å²	73	58.7 Å²	58.7	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-68.1	-37.2	179.4	-75.2	-13.4	0	0	0	112.4	E113 Y114 R119 K120 Q121	E113-D117 WeakPolarHBondContact O-CB 2.94Å; E113-D117 PolarHBondContact O-N 3.27Å; Y114-D117 PolarHBondContact O-N 3.41Å; D117-R119 VanDerWaalsContact C-N 3.33Å; D117-R119 PolarHBondContact O-N 2.98Å; D117-K120 WeakPolarHBondContact O-CB 3.4Å; D117-K120 PolarHBondContact O-N 2.94Å; D117-K120 IonicContact OD1-NZ 3.95Å; D117-K120 PolarHBondContact OD1-NZ 3.3Å; D117-Q121 VanDerWaalsContact O-CG 3.3Å; D117-Q121 WeakPolarHBondContact O-CG 3.36Å; D117-Q121 PolarHBondContact O-N 2.97Å
118	Y	88.2	Confident	88.7	Confident	17 Å²	17	62.6 Å²	62.6	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-58.6	-46	170.2	-179.1	-94.6	0	0	0	111	I85 S86 M88 Y114 K120 Q121 Q122	I85-Y118 HydrophobicContact CG2-CD2 4.36Å; I85-Y118 HydrophobicContact CG2-CE2 3.54Å; S86-Y118 WeakPolarHBondContact O-CE2 3.33Å; S86-Y118 PolarHBondContact O-OH 2.85Å; M88-Y118 HydrophobicContact CB-CD1 3.86Å; M88-Y118 HydrophobicContact CB-CD2 4.48Å; M88-Y118 HydrophobicContact CB-CE1 3.47Å; M88-Y118 VanDerWaalsContact CB-CE1 3.47Å; M88-Y118 HydrophobicContact CB-CE2 4.13Å; M88-Y118 HydrophobicContact CB-CG 4.35Å; M88-Y118 HydrophobicContact CG-CD1 3.7Å; M88-Y118 HydrophobicContact CG-CD2 4.47Å; M88-Y118 HydrophobicContact CG-CE1 3.87Å; M88-Y118 HydrophobicContact CG-CG 4.02Å; M88-Y118 VanDerWaalsContact N-CZ 3.33Å; M88-Y118 PolarHBondContact N-OH 3.3Å; M88-Y118 HydrophobicContact SD-CD1 3.86Å; M88-Y118 HydrophobicContact SD-CE1 4.18Å; Y114-Y118 WeakPolarHBondContact O-CB 3.46Å; Y114-Y118 PolarHBondContact O-N 3.22Å; Y118-K120 PolarHBondContact O-N 3.39Å; Y118-Q121 PolarHBondContact O-N 3.28Å; Y118-Q122 WeakPolarHBondContact O-CB 3.37Å; Y118-Q122 PolarHBondContact O-N 3.23Å
119	R	86.1	Confident	88.7	Confident	102 Å²	102	60.7 Å²	60.7	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-42.2	176	-175.7	171.1	174	159.2	-8	111.8	K115 L116 D117 Q122 L123 L597	K115-R119 WeakPolarHBondContact O-CB 3.35Å; K115-R119 PolarHBondContact O-N 3.21Å; L116-R119 WeakPolarHBondContact O-CB 3.37Å; L116-R119 PolarHBondContact O-N 2.78Å; D117-R119 VanDerWaalsContact C-N 3.33Å; D117-R119 PolarHBondContact O-N 2.98Å; R119-Q122 PolarHBondContact O-N 2.83Å; R119-L123 HydrophobicContact CG-CD1 4.26Å; R119-L123 VanDerWaalsContact O-CG 3.25Å; R119-L123 WeakPolarHBondContact O-CG 3.4Å; R119-L123 PolarHBondContact O-N 3.26Å; R119-L597 HydrophobicContact CG-CD2 4.28Å
120	K	88.4	Confident	88.5	Confident	70 Å²	70	55.1 Å²	55.1	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-47	174.2	-69	175.3	-167.2	155.9	0	111.5	L116 D117 Y118 L123 H124 K596	L116-K120 WeakPolarHBondContact O-CG 3.36Å; L116-K120 PolarHBondContact O-N 3.5Å; D117-K120 WeakPolarHBondContact O-CB 3.4Å; D117-K120 PolarHBondContact O-N 2.94Å; D117-K120 IonicContact OD1-NZ 3.95Å; D117-K120 PolarHBondContact OD1-NZ 3.3Å; Y118-K120 PolarHBondContact O-N 3.39Å; K120-L123 PolarHBondContact O-N 2.99Å; K120-H124 WeakPolarHBondContact O-CB 3.31Å; K120-H124 PolarHBondContact O-N 3.44Å; K120-K596 WeakPolarHBondContact CE-O 3.41Å
121	Q	87.9	Confident	88.5	Confident	117 Å²	117	53.5 Å²	53.5	55%	0.547	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-43.9	178.1	-71.3	174	22.4	0	0	111.2	I85 D117 Y118 L123 H124 A125	I85-Q121 VanDerWaalsContact CD1-C 3.48Å; I85-Q121 HydrophobicContact CD1-CB 4.26Å; I85-Q121 VanDerWaalsContact CD1-O 3.27Å; I85-Q121 WeakPolarHBondContact CD1-O 3.41Å; D117-Q121 VanDerWaalsContact O-CG 3.3Å; D117-Q121 WeakPolarHBondContact O-CG 3.36Å; D117-Q121 PolarHBondContact O-N 2.97Å; Y118-Q121 PolarHBondContact O-N 3.28Å; Q121-L123 PolarHBondContact O-N 3.35Å; Q121-H124 PolarHBondContact O-N 2.94Å; Q121-A125 WeakPolarHBondContact O-CB 3.12Å; Q121-A125 PolarHBondContact O-N 3.48Å
122	Q	87.4	Confident	88.4	Confident	46 Å²	46	60.8 Å²	60.8	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-46.2	177	-170.6	179.6	51.2	0	0	112	I85 Y118 R119 A125 F126 E673	I85-Q122 HydrophobicContact CD1-CB 4.43Å; Y118-Q122 WeakPolarHBondContact O-CB 3.37Å; Y118-Q122 PolarHBondContact O-N 3.23Å; R119-Q122 PolarHBondContact O-N 2.83Å; Q122-A125 PolarHBondContact O-N 2.93Å; Q122-F126 VanDerWaalsContact O-CB 3.31Å; Q122-F126 WeakPolarHBondContact O-CB 3.47Å; Q122-F126 PolarHBondContact O-N 3.01Å; Q122-E673 PolarHBondContact NE2-OE1 3.49Å
123	L	88	Confident	88.4	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-41.9	176.6	-68.3	174.2	0	0	0	111.8	R119 K120 Q121 F126 F127 L597 Y662 L663 R668	R119-L123 HydrophobicContact CG-CD1 4.26Å; R119-L123 VanDerWaalsContact O-CG 3.25Å; R119-L123 WeakPolarHBondContact O-CG 3.4Å; R119-L123 PolarHBondContact O-N 3.26Å; K120-L123 PolarHBondContact O-N 2.99Å; Q121-L123 PolarHBondContact O-N 3.35Å; L123-F126 PolarHBondContact O-N 2.92Å; L123-F127 WeakPolarHBondContact O-CB 3.35Å; L123-F127 PolarHBondContact O-N 3.21Å; L123-L597 HydrophobicContact CD1-CD2 4.02Å; L123-Y662 HydrophobicContact CB-CE1 4.17Å; L123-Y662 HydrophobicContact CD2-CE1 4.08Å; L123-Y662 WeakPolarHBondContact CD2-OH 3.44Å; L123-L663 HydrophobicContact CB-CD2 4.38Å; L123-L663 HydrophobicContact CD1-CD2 3.9Å; L123-R668 VanDerWaalsContact CD2-NE 3.3Å
124	H	89.4	Confident	88.3	Confident	66 Å²	66	54 Å²	54	31%	0.306	26%	0.261	S	S	.	.	H	α-helix	trans	-66.3	-43.5	178	-173.1	-99.3	0	0	0	112.4	K120 Q121 F127 L128 K600 F659	K120-H124 WeakPolarHBondContact O-CB 3.31Å; K120-H124 PolarHBondContact O-N 3.44Å; Q121-H124 PolarHBondContact O-N 2.94Å; H124-F127 WeakPolarHBondContact O-CB 3.42Å; H124-F127 PolarHBondContact O-N 2.87Å; H124-L128 WeakPolarHBondContact O-CG 3.47Å; H124-L128 PolarHBondContact O-N 3.14Å; H124-K600 PolarHBondContact NE2-NZ 3.04Å; H124-F659 HydrophobicContact CB-CE2 4.49Å; H124-F659 HydrophobicContact CB-CZ 4.48Å
125	A	88	Confident	88.1	Confident	21 Å²	21	52.7 Å²	52.7	17%	0.174	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-39.9	175.7	0	0	0	0	0	112	I85 Q121 Q122 F127 L128 A129	I85-A125 HydrophobicContact CD1-CB 3.3Å; I85-A125 HydrophobicContact CG1-CB 4.04Å; Q121-A125 WeakPolarHBondContact O-CB 3.12Å; Q121-A125 PolarHBondContact O-N 3.48Å; Q122-A125 PolarHBondContact O-N 2.93Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.45Å; A125-L128 PolarHBondContact O-N 3.15Å; A125-A129 WeakPolarHBondContact O-CB 3.21Å; A125-A129 PolarHBondContact O-N 3.11Å
126	F	88.9	Confident	88.2	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-45.9	174.1	-174.7	-88.7	0	0	0	111.2	Q122 L123 A129 H130 W135 F136 F350 Y662 P669 A671	Q122-F126 VanDerWaalsContact O-CB 3.31Å; Q122-F126 WeakPolarHBondContact O-CB 3.47Å; Q122-F126 PolarHBondContact O-N 3.01Å; L123-F126 PolarHBondContact O-N 2.92Å; F126-A129 PolarHBondContact O-N 3.42Å; F126-H130 AromaticContact CD2-CE1 3.71Å; F126-H130 AromaticContact CD2-ND1 3.75Å; F126-H130 HydrophobicContact CE1-CB 4.41Å; F126-H130 AromaticContact CE1-ND1 3.91Å; F126-H130 AromaticContact CE2-CE1 3.36Å; F126-H130 WeakPolarHBondContact CE2-CE1 3.42Å; F126-H130 AromaticContact CE2-ND1 3.59Å; F126-H130 AromaticContact CE2-NE2 3.91Å; F126-H130 AromaticContact CG-ND1 3.99Å; F126-H130 AromaticContact CZ-CE1 3.77Å; F126-H130 AromaticContact CZ-CG 3.94Å; F126-H130 AromaticContact CZ-ND1 3.67Å; F126-H130 PolarHBondContact O-N 3.1Å; F126-H130 VanDerWaalsContact O-N 3.11Å; F126-H130 PolarHBondContact O-ND1 3.36Å; F126-W135 HydrophobicContact CZ-CH2 4.49Å; F126-F136 HydrophobicContact CD1-CE2 4.43Å; F126-F136 HydrophobicContact CE1-CD2 4.47Å; F126-F136 AromaticContact CE1-CE2 3.96Å; F126-F136 HydrophobicContact CE1-CE2 3.96Å; F126-F350 HydrophobicContact CE2-CE1 4.34Å; F126-F350 AromaticContact CE2-CE2 3.92Å; F126-F350 HydrophobicContact CE2-CE2 3.92Å; F126-F350 AromaticContact CE2-CZ 3.52Å; F126-F350 HydrophobicContact CE2-CZ 3.52Å; F126-F350 AromaticContact CZ-CE1 3.91Å; F126-F350 HydrophobicContact CZ-CE1 3.91Å; F126-F350 HydrophobicContact CZ-CE2 4.24Å; F126-F350 AromaticContact CZ-CZ 3.55Å; F126-F350 HydrophobicContact CZ-CZ 3.55Å; F126-Y662 HydrophobicContact CD1-CE2 4.12Å; F126-Y662 AromaticContact CD1-CZ 3.78Å; F126-Y662 VanDerWaalsContact CD1-OH 3.27Å; F126-Y662 WeakPolarHBondContact CD1-OH 3.28Å; F126-Y662 HydrophobicContact CE1-CE2 4.31Å; F126-P669 HydrophobicContact CE1-CB 3.94Å; F126-P669 WeakPolarHBondContact CE1-O 3.47Å; F126-P669 HydrophobicContact CZ-CB 3.8Å; F126-A671 HydrophobicContact CD2-CB 4.05Å; F126-A671 HydrophobicContact CE2-CB 4.4Å
127	F	90.3	Very high	88.3	Confident	9 Å²	9	50.7 Å²	50.7	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-52.1	174.4	175.8	-97	0	0	0	111.1	L123 H124 A125 A129 H130 K131 F136 Y658 F659 Y662	L123-F127 WeakPolarHBondContact O-CB 3.35Å; L123-F127 PolarHBondContact O-N 3.21Å; H124-F127 WeakPolarHBondContact O-CB 3.42Å; H124-F127 PolarHBondContact O-N 2.87Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.45Å; F127-A129 VanDerWaalsContact C-N 3.32Å; F127-A129 PolarHBondContact O-N 3.12Å; F127-H130 CarbonylContact O-C 3.6Å; F127-H130 PolarHBondContact O-N 3.28Å; F127-H130 VanDerWaalsContact O-N 3.17Å; F127-K131 HydrophobicContact CD1-CB 4.43Å; F127-K131 HydrophobicContact CE1-CB 4.18Å; F127-K131 HydrophobicContact CE1-CD 4.02Å; F127-K131 HydrophobicContact CE2-CB 4.4Å; F127-K131 HydrophobicContact CZ-CB 4.16Å; F127-K131 WeakPolarHBondContact O-CA 3.45Å; F127-K131 WeakPolarHBondContact O-CB 3.38Å; F127-K131 PolarHBondContact O-N 3.05Å; F127-F136 AromaticContact CD2-CE1 3.51Å; F127-F136 HydrophobicContact CD2-CE1 3.51Å; F127-F136 AromaticContact CD2-CZ 3.82Å; F127-F136 HydrophobicContact CD2-CZ 3.82Å; F127-F136 AromaticContact CE2-CE1 3.87Å; F127-F136 HydrophobicContact CE2-CE1 3.87Å; F127-F136 HydrophobicContact CG-CE1 4.47Å; F127-Y658 AromaticContact CE2-CD1 3.72Å; F127-Y658 HydrophobicContact CE2-CD1 3.72Å; F127-Y658 AromaticContact CE2-CD2 3.88Å; F127-Y658 HydrophobicContact CE2-CD2 3.88Å; F127-Y658 HydrophobicContact CE2-CE1 4.02Å; F127-Y658 HydrophobicContact CE2-CE2 4.17Å; F127-Y658 AromaticContact CE2-CG 3.68Å; F127-Y658 HydrophobicContact CE2-CG 3.68Å; F127-Y658 AromaticContact CZ-CD1 3.52Å; F127-Y658 HydrophobicContact CZ-CD1 3.52Å; F127-Y658 HydrophobicContact CZ-CD2 4.45Å; F127-Y658 HydrophobicContact CZ-CE1 4.02Å; F127-Y658 AromaticContact CZ-CG 3.79Å; F127-Y658 HydrophobicContact CZ-CG 3.79Å; F127-F659 HydrophobicContact CB-CD2 3.94Å; F127-F659 HydrophobicContact CB-CE2 4.03Å; F127-F659 AromaticContact CD1-CD2 3.8Å; F127-F659 HydrophobicContact CD1-CD2 3.8Å; F127-F659 HydrophobicContact CD2-CB 4.5Å; F127-F659 AromaticContact CD2-CD2 3.79Å; F127-F659 HydrophobicContact CD2-CD2 3.79Å; F127-F659 HydrophobicContact CE1-CB 4.24Å; F127-F659 HydrophobicContact CE1-CD2 4.22Å; F127-F659 HydrophobicContact CE2-CB 4.09Å; F127-F659 HydrophobicContact CE2-CD2 4.23Å; F127-F659 AromaticContact CG-CD2 3.57Å; F127-F659 HydrophobicContact CG-CD2 3.57Å; F127-F659 HydrophobicContact CG-CE2 4.18Å; F127-F659 HydrophobicContact CZ-CB 3.95Å; F127-F659 HydrophobicContact CZ-CD2 4.42Å; F127-Y662 HydrophobicContact CB-CD1 4.34Å; F127-Y662 HydrophobicContact CB-CE1 4.4Å; F127-Y662 HydrophobicContact CD2-CD1 4.33Å
128	L	89.4	Confident	88.3	Confident	85 Å²	85	49.7 Å²	49.7	45%	0.445	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-38.5	179.8	-71.3	178.8	0	0	0	113.2	H124 A125 H130 K131	H124-L128 WeakPolarHBondContact O-CG 3.47Å; H124-L128 PolarHBondContact O-N 3.14Å; A125-L128 PolarHBondContact O-N 3.15Å; L128-H130 VanDerWaalsContact C-N 3.32Å; L128-H130 PolarHBondContact O-N 3.25Å; L128-K131 HydrophobicContact CD2-CD 4.17Å
129	A	87.4	Confident	88.2	Confident	45 Å²	45	52.1 Å²	52.1	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-69.5	-27.8	178.9	0	0	0	0	0	113.3	A125 F126 F127 Q133	A125-A129 WeakPolarHBondContact O-CB 3.21Å; A125-A129 PolarHBondContact O-N 3.11Å; F126-A129 PolarHBondContact O-N 3.42Å; F127-A129 VanDerWaalsContact C-N 3.32Å; F127-A129 PolarHBondContact O-N 3.12Å; A129-Q133 PolarHBondContact O-NE2 3.37Å
130	H	87	Confident	88.4	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-114	-6.7	-174.3	-59.2	79.5	0	0	0	114.1	F126 F127 L128 E132 Q133 W135 F136 F350	F126-H130 AromaticContact CD2-CE1 3.71Å; F126-H130 AromaticContact CD2-ND1 3.75Å; F126-H130 HydrophobicContact CE1-CB 4.41Å; F126-H130 AromaticContact CE1-ND1 3.91Å; F126-H130 AromaticContact CE2-CE1 3.36Å; F126-H130 WeakPolarHBondContact CE2-CE1 3.42Å; F126-H130 AromaticContact CE2-ND1 3.59Å; F126-H130 AromaticContact CE2-NE2 3.91Å; F126-H130 AromaticContact CG-ND1 3.99Å; F126-H130 AromaticContact CZ-CE1 3.77Å; F126-H130 AromaticContact CZ-CG 3.94Å; F126-H130 AromaticContact CZ-ND1 3.67Å; F126-H130 PolarHBondContact O-N 3.1Å; F126-H130 VanDerWaalsContact O-N 3.11Å; F126-H130 PolarHBondContact O-ND1 3.36Å; F127-H130 CarbonylContact O-C 3.6Å; F127-H130 PolarHBondContact O-N 3.28Å; F127-H130 VanDerWaalsContact O-N 3.17Å; L128-H130 VanDerWaalsContact C-N 3.32Å; L128-H130 PolarHBondContact O-N 3.25Å; H130-E132 PolarHBondContact O-N 3.22Å; H130-E132 VanDerWaalsContact O-N 3.12Å; H130-Q133 PolarHBondContact CD2-NE2 3.38Å; H130-Q133 VanDerWaalsContact CD2-NE2 3.35Å; H130-Q133 PolarHBondContact CD2-OE1 3.45Å; H130-Q133 VanDerWaalsContact CD2-OE1 3.25Å; H130-Q133 WeakPolarHBondContact O-CB 3.37Å; H130-Q133 PolarHBondContact O-N 3.22Å; H130-W135 HydrophobicContact CB-CZ2 4.37Å; H130-W135 AromaticContact CD2-CZ2 3.86Å; H130-F136 HydrophobicContact CB-CB 4.41Å; H130-F136 HydrophobicContact CB-CD1 4.41Å; H130-F136 HydrophobicContact CB-CD2 4.23Å; H130-F136 HydrophobicContact CB-CG 4.12Å; H130-F136 WeakPolarHBondContact O-CB 3.32Å; H130-F350 AromaticContact NE2-CD2 3.72Å; H130-F350 AromaticContact NE2-CE2 3.82Å
131	K	89.8	Confident	88.5	Confident	45 Å²	45	44.8 Å²	44.8	20%	0.196	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.8	-173.4	70.6	172.4	-170.9	167.8	0	114	F127 L128 R137 E655 Y658	F127-K131 HydrophobicContact CD1-CB 4.43Å; F127-K131 HydrophobicContact CE1-CB 4.18Å; F127-K131 HydrophobicContact CE1-CD 4.02Å; F127-K131 HydrophobicContact CE2-CB 4.4Å; F127-K131 HydrophobicContact CZ-CB 4.16Å; F127-K131 WeakPolarHBondContact O-CA 3.45Å; F127-K131 WeakPolarHBondContact O-CB 3.38Å; F127-K131 PolarHBondContact O-N 3.05Å; L128-K131 HydrophobicContact CD2-CD 4.17Å; K131-R137 VanDerWaalsContact O-CG 3.27Å; K131-R137 WeakPolarHBondContact O-CG 3.06Å; K131-E655 IonicContact NZ-OE1 2.81Å; K131-E655 PolarHBondContact NZ-OE1 3.21Å; K131-Y658 HydrophobicContact CB-CE1 3.77Å; K131-Y658 WeakPolarHBondContact O-CE1 3.48Å; K131-Y658 PolarHBondContact O-OH 2.91Å
132	E	88.7	Confident	88.6	Confident	163 Å²	163	40.7 Å²	40.7	76%	0.762	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.1	179.7	-59.1	-171.7	170.1	0	0	113	H130	H130-E132 PolarHBondContact O-N 3.22Å; H130-E132 VanDerWaalsContact O-N 3.12Å
133	Q	87.7	Confident	88.7	Confident	35 Å²	35	44.5 Å²	44.5	16%	0.164	22%	0.218	C	C	.	.	S	Bend	trans	-76.6	133.2	-176.5	-57.2	178.5	13.4	0	0	110.7	A129 H130 W135 F136 R137	A129-Q133 PolarHBondContact O-NE2 3.37Å; H130-Q133 PolarHBondContact CD2-NE2 3.38Å; H130-Q133 VanDerWaalsContact CD2-NE2 3.35Å; H130-Q133 PolarHBondContact CD2-OE1 3.45Å; H130-Q133 VanDerWaalsContact CD2-OE1 3.25Å; H130-Q133 WeakPolarHBondContact O-CB 3.37Å; H130-Q133 PolarHBondContact O-N 3.22Å; Q133-W135 VanDerWaalsContact C-N 3.3Å; Q133-W135 PolarHBondContact O-N 3.49Å; Q133-F136 PolarHBondContact O-N 2.87Å; Q133-R137 PolarHBondContact O-N 2.94Å
134	E	87.8	Confident	88.7	Confident	41 Å²	41	46.2 Å²	46.2	19%	0.192	23%	0.227	C	C	.	.	H	α-helix	trans	-54.5	-43.5	-174.4	179.2	-167.3	-130.4	0	0	112.7	F136 R137 M138 T322 K323 R352	E134-F136 PolarHBondContact O-N 3.48Å; E134-R137 PolarHBondContact O-N 3.29Å; E134-M138 HydrophobicContact CG-CG 4.23Å; E134-M138 WeakPolarHBondContact O-CB 3.28Å; E134-M138 WeakPolarHBondContact O-CG 3.37Å; E134-M138 PolarHBondContact O-N 3.03Å; E134-T322 HydrophobicContact CB-CG2 4.41Å; E134-T322 WeakPolarHBondContact OE2-CA 3.29Å; E134-K323 VanDerWaalsContact CD-N 3.31Å; E134-K323 WeakPolarHBondContact OE1-CB 3.12Å; E134-K323 PolarHBondContact OE1-N 2.95Å; E134-K323 PolarHBondContact OE2-N 2.67Å; E134-R352 IonicContact OE2-CZ 3.43Å; E134-R352 IonicContact OE2-NH1 3.73Å; E134-R352 PolarHBondContact OE2-NH1 2.85Å; E134-R352 IonicContact OE2-NH2 3.5Å; E134-R352 PolarHBondContact OE2-NH2 2.75Å
135	W	86.8	Confident	88.6	Confident	18 Å²	18	44.4 Å²	44.4	7%	0.068	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-33.9	-177.9	73.6	-94.3	0	0	0	112.6	F126 H130 Q133 P344 F350 P669	F126-W135 HydrophobicContact CZ-CH2 4.49Å; H130-W135 HydrophobicContact CB-CZ2 4.37Å; H130-W135 AromaticContact CD2-CZ2 3.86Å; Q133-W135 VanDerWaalsContact C-N 3.3Å; Q133-W135 PolarHBondContact O-N 3.49Å; W135-P344 HydrophobicContact CB-CG 4.23Å; W135-P344 HydrophobicContact CD2-CB 4.45Å; W135-P344 HydrophobicContact CD2-CG 3.38Å; W135-P344 HydrophobicContact CE3-CG 3.41Å; W135-P344 VanDerWaalsContact CE3-CG 3.41Å; W135-P344 HydrophobicContact CG-CG 3.74Å; W135-P344 HydrophobicContact CH2-CG 4.23Å; W135-P344 HydrophobicContact CZ2-CG 4.23Å; W135-P344 HydrophobicContact CZ3-CG 3.85Å; W135-F350 AromaticContact CH2-CD1 3.97Å; W135-F350 HydrophobicContact CH2-CD1 3.97Å; W135-F350 HydrophobicContact CH2-CE1 4.07Å; W135-F350 AromaticContact CZ2-CD1 3.72Å; W135-F350 HydrophobicContact CZ2-CD1 3.72Å; W135-F350 HydrophobicContact CZ2-CE1 4.16Å; W135-F350 HydrophobicContact CZ2-CG 4.33Å; W135-P669 HydrophobicContact CH2-CB 3.97Å; W135-P669 HydrophobicContact CH2-CG 3.75Å; W135-P669 HydrophobicContact CZ3-CB 4.47Å; W135-P669 HydrophobicContact CZ3-CG 3.77Å
136	F	89.5	Confident	88.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-79.9	-40.9	-177.5	-167.7	-100.1	0	0	0	109.9	F126 F127 H130 Q133 E134 K139 Y140 Y658 Y662	F126-F136 HydrophobicContact CD1-CE2 4.43Å; F126-F136 HydrophobicContact CE1-CD2 4.47Å; F126-F136 AromaticContact CE1-CE2 3.96Å; F126-F136 HydrophobicContact CE1-CE2 3.96Å; F127-F136 AromaticContact CD2-CE1 3.51Å; F127-F136 HydrophobicContact CD2-CE1 3.51Å; F127-F136 AromaticContact CD2-CZ 3.82Å; F127-F136 HydrophobicContact CD2-CZ 3.82Å; F127-F136 AromaticContact CE2-CE1 3.87Å; F127-F136 HydrophobicContact CE2-CE1 3.87Å; F127-F136 HydrophobicContact CG-CE1 4.47Å; H130-F136 HydrophobicContact CB-CB 4.41Å; H130-F136 HydrophobicContact CB-CD1 4.41Å; H130-F136 HydrophobicContact CB-CD2 4.23Å; H130-F136 HydrophobicContact CB-CG 4.12Å; H130-F136 WeakPolarHBondContact O-CB 3.32Å; Q133-F136 PolarHBondContact O-N 2.87Å; E134-F136 PolarHBondContact O-N 3.48Å; F136-K139 PolarHBondContact O-N 3.23Å; F136-K139 VanDerWaalsContact O-N 3.15Å; F136-Y140 HydrophobicContact CD1-CD2 4.2Å; F136-Y140 AromaticContact CD2-CD2 3.74Å; F136-Y140 HydrophobicContact CD2-CD2 3.74Å; F136-Y140 AromaticContact CD2-CE2 3.53Å; F136-Y140 HydrophobicContact CD2-CE2 3.53Å; F136-Y140 HydrophobicContact CE1-CD2 4.01Å; F136-Y140 AromaticContact CE2-CD2 3.55Å; F136-Y140 HydrophobicContact CE2-CD2 3.55Å; F136-Y140 AromaticContact CE2-CE2 3.32Å; F136-Y140 HydrophobicContact CE2-CE2 3.32Å; F136-Y140 HydrophobicContact CG-CD2 4.05Å; F136-Y140 HydrophobicContact CG-CE2 4.27Å; F136-Y140 AromaticContact CZ-CD2 3.68Å; F136-Y140 HydrophobicContact CZ-CD2 3.68Å; F136-Y140 AromaticContact CZ-CE2 3.9Å; F136-Y140 HydrophobicContact CZ-CE2 3.9Å; F136-Y140 WeakPolarHBondContact O-CD2 3.08Å; F136-Y140 PolarHBondContact O-N 2.96Å; F136-Y658 AromaticContact CD1-CE2 3.81Å; F136-Y658 HydrophobicContact CD1-CE2 3.81Å; F136-Y658 AromaticContact CD1-CZ 3.64Å; F136-Y658 WeakPolarHBondContact CD1-OH 3.5Å; F136-Y658 AromaticContact CE1-CE2 3.79Å; F136-Y658 HydrophobicContact CE1-CE2 3.79Å; F136-Y658 AromaticContact CE1-CZ 3.87Å; F136-Y662 AromaticContact CE2-CD2 3.59Å; F136-Y662 HydrophobicContact CE2-CD2 3.59Å; F136-Y662 AromaticContact CE2-CE2 3.79Å; F136-Y662 HydrophobicContact CE2-CE2 3.79Å; F136-Y662 HydrophobicContact CE2-CG 4.32Å; F136-Y662 HydrophobicContact CZ-CD1 4.41Å; F136-Y662 AromaticContact CZ-CD2 3.47Å; F136-Y662 HydrophobicContact CZ-CD2 3.47Å; F136-Y662 VanDerWaalsContact CZ-CD2 3.47Å; F136-Y662 AromaticContact CZ-CE2 3.94Å; F136-Y662 HydrophobicContact CZ-CE2 3.94Å; F136-Y662 AromaticContact CZ-CG 3.73Å; F136-Y662 HydrophobicContact CZ-CG 3.73Å
137	R	90.3	Very high	88.8	Confident	88 Å²	88	53.3 Å²	53.3	33%	0.332	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-49.9	171.6	-68.6	-175.2	73.8	108.4	4.4	112	K131 Q133 E134 K139 Y140 H141 D144 Y658	K131-R137 VanDerWaalsContact O-CG 3.27Å; K131-R137 WeakPolarHBondContact O-CG 3.06Å; Q133-R137 PolarHBondContact O-N 2.94Å; E134-R137 PolarHBondContact O-N 3.29Å; R137-K139 PolarHBondContact O-N 3.17Å; R137-Y140 PolarHBondContact O-N 3.41Å; R137-H141 HydrophobicContact CB-CB 4.18Å; R137-H141 PolarHBondContact NH2-CD2 3.4Å; R137-H141 PolarHBondContact NH2-NE2 3.15Å; R137-H141 VanDerWaalsContact NH2-NE2 3.12Å; R137-H141 WeakPolarHBondContact O-CB 3.39Å; R137-H141 PolarHBondContact O-N 3.2Å; R137-D144 IonicContact CZ-OD2 3.92Å; R137-D144 IonicContact NE-OD2 2.79Å; R137-D144 PolarHBondContact NE-OD2 3.5Å; R137-D144 IonicContact NH2-OD2 3.83Å; R137-Y658 VanDerWaalsContact CA-OH 3.22Å; R137-Y658 WeakPolarHBondContact CA-OH 3.35Å; R137-Y658 WeakPolarHBondContact CG-OH 3.36Å; R137-Y658 PolarHBondContact N-OH 2.89Å; R137-Y658 VanDerWaalsContact N-OH 3.14Å
138	M	86.9	Confident	88.7	Confident	51 Å²	51	56.2 Å²	56.2	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-12.9	179.8	-70.4	-61.5	-77.3	0	0	113.9	E134 D144 K148	E134-M138 HydrophobicContact CG-CG 4.23Å; E134-M138 WeakPolarHBondContact O-CB 3.28Å; E134-M138 WeakPolarHBondContact O-CG 3.37Å; E134-M138 PolarHBondContact O-N 3.03Å; M138-D144 HydrophobicContact SD-CB 3.94Å; M138-K148 HydrophobicContact CB-CD 4.3Å; M138-K148 HydrophobicContact CE-CB 3.71Å; M138-K148 HydrophobicContact CE-CD 4.07Å; M138-K148 HydrophobicContact CE-CG 3.98Å; M138-K148 WeakPolarHBondContact O-CD 3.36Å
139	K	86.6	Confident	88.6	Confident	68 Å²	68	58.4 Å²	58.4	30%	0.296	28%	0.276	S	S	.	.	H	α-helix	trans	-100.5	-43.1	177.5	-166.9	172.8	173	-165.1	0	112.9	F136 R137 D665	F136-K139 PolarHBondContact O-N 3.23Å; F136-K139 VanDerWaalsContact O-N 3.15Å; R137-K139 PolarHBondContact O-N 3.17Å; K139-D665 WeakPolarHBondContact CE-OD2 3.37Å; K139-D665 IonicContact NZ-OD2 3.52Å; K139-D665 PolarHBondContact NZ-OD2 3.3Å
140	Y	90.4	Very high	88.7	Confident	6 Å²	6	60 Å²	60	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-120.3	-18.2	-171.4	-45.2	-74.6	0	0	0	115.6	F136 R137 N661 Y662 D665 P669	F136-Y140 HydrophobicContact CD1-CD2 4.2Å; F136-Y140 AromaticContact CD2-CD2 3.74Å; F136-Y140 HydrophobicContact CD2-CD2 3.74Å; F136-Y140 AromaticContact CD2-CE2 3.53Å; F136-Y140 HydrophobicContact CD2-CE2 3.53Å; F136-Y140 HydrophobicContact CE1-CD2 4.01Å; F136-Y140 AromaticContact CE2-CD2 3.55Å; F136-Y140 HydrophobicContact CE2-CD2 3.55Å; F136-Y140 AromaticContact CE2-CE2 3.32Å; F136-Y140 HydrophobicContact CE2-CE2 3.32Å; F136-Y140 HydrophobicContact CG-CD2 4.05Å; F136-Y140 HydrophobicContact CG-CE2 4.27Å; F136-Y140 AromaticContact CZ-CD2 3.68Å; F136-Y140 HydrophobicContact CZ-CD2 3.68Å; F136-Y140 AromaticContact CZ-CE2 3.9Å; F136-Y140 HydrophobicContact CZ-CE2 3.9Å; F136-Y140 WeakPolarHBondContact O-CD2 3.08Å; F136-Y140 PolarHBondContact O-N 2.96Å; R137-Y140 PolarHBondContact O-N 3.41Å; Y140-N661 WeakPolarHBondContact CD1-O 3.44Å; Y140-N661 WeakPolarHBondContact O-CB 3.36Å; Y140-N661 PolarHBondContact O-ND2 2.91Å; Y140-Y662 HydrophobicContact CD2-CD2 4.25Å; Y140-Y662 HydrophobicContact CE1-CD2 4.41Å; Y140-Y662 AromaticContact CE2-CD2 3.88Å; Y140-Y662 HydrophobicContact CE2-CD2 3.88Å; Y140-Y662 AromaticContact CZ-CD2 3.95Å; Y140-D665 HydrophobicContact CE1-CB 3.86Å; Y140-D665 PolarHBondContact OH-OD2 2.89Å; Y140-D665 VanDerWaalsContact OH-OD2 3.12Å; Y140-P669 WeakPolarHBondContact OH-CD 3.49Å
141	H	90.9	Very high	88.9	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.056	30%	0.296	C	S	.	.			trans	-68.7	129.7	179.9	-174.4	-75.6	0	0	0	109.1	R137 E143 D144 S145 V654 Y658	R137-H141 HydrophobicContact CB-CB 4.18Å; R137-H141 PolarHBondContact NH2-CD2 3.4Å; R137-H141 PolarHBondContact NH2-NE2 3.15Å; R137-H141 VanDerWaalsContact NH2-NE2 3.12Å; R137-H141 WeakPolarHBondContact O-CB 3.39Å; R137-H141 PolarHBondContact O-N 3.2Å; H141-E143 VanDerWaalsContact C-N 3.3Å; H141-E143 IonicContact CE1-OE2 2.74Å; H141-E143 PolarHBondContact ND1-N 2.79Å; H141-E143 PolarHBondContact O-N 3.41Å; H141-D144 HydrophobicContact CB-CB 4.17Å; H141-D144 IonicContact CG-OD2 2.72Å; H141-D144 IonicContact ND1-OD2 3.49Å; H141-D144 PolarHBondContact O-N 3.29Å; H141-S145 WeakPolarHBondContact O-CB 3.43Å; H141-S145 PolarHBondContact O-N 2.96Å; H141-S145 PolarHBondContact O-OG 3.17Å; H141-V654 WeakPolarHBondContact NE2-CG1 3.45Å; H141-Y658 VanDerWaalsContact CA-CD2 3.5Å; H141-Y658 HydrophobicContact CB-CD2 4.03Å; H141-Y658 HydrophobicContact CB-CE2 3.96Å; H141-Y658 HydrophobicContact CB-CG 4.35Å; H141-Y658 VanDerWaalsContact N-CD2 3.31Å
142	P	89.4	Confident	88.8	Confident	31 Å²	31	65 Å²	65	20%	0.201	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-39.1	-169	22	-33.9	0	0	0	113	L146 V654 D657	P142-L146 WeakPolarHBondContact O-CB 3.47Å; P142-L146 PolarHBondContact O-N 3.33Å; P142-V654 HydrophobicContact CG-CB 4.43Å; P142-V654 HydrophobicContact CG-CG1 3.79Å; P142-D657 HydrophobicContact CB-CB 4.43Å; P142-D657 HydrophobicContact CG-CB 4.12Å
143	E	90.1	Very high	88.9	Confident	126 Å²	126	60 Å²	60	59%	0.589	28%	0.278	S	S	*	.	H	α-helix	trans	-78.3	-53.6	178.9	-57.1	-177.3	156.1	0	0	113.3	H141 S145 L146 K147	H141-E143 VanDerWaalsContact C-N 3.3Å; H141-E143 IonicContact CE1-OE2 2.74Å; H141-E143 PolarHBondContact ND1-N 2.79Å; H141-E143 PolarHBondContact O-N 3.41Å; E143-S145 PolarHBondContact O-N 2.83Å; E143-L146 PolarHBondContact O-N 3.17Å; E143-K147 PolarHBondContact O-N 3.45Å
144	D	88.1	Confident	89.1	Confident	43 Å²	43	61.1 Å²	61.1	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-40.8	-177.8	-64.8	-30.2	0	0	0	112.3	R137 M138 H141 K147 K148	R137-D144 IonicContact CZ-OD2 3.92Å; R137-D144 IonicContact NE-OD2 2.79Å; R137-D144 PolarHBondContact NE-OD2 3.5Å; R137-D144 IonicContact NH2-OD2 3.83Å; M138-D144 HydrophobicContact SD-CB 3.94Å; H141-D144 HydrophobicContact CB-CB 4.17Å; H141-D144 IonicContact CG-OD2 2.72Å; H141-D144 IonicContact ND1-OD2 3.49Å; H141-D144 PolarHBondContact O-N 3.29Å; D144-K147 PolarHBondContact O-N 3.12Å; D144-K148 PolarHBondContact O-N 3.45Å
145	S	86.5	Confident	89.3	Confident	28 Å²	28	59.9 Å²	59.9	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-37.5	176.3	69.1	0	0	0	0	112.1	H141 E143 K148 R149	H141-S145 WeakPolarHBondContact O-CB 3.43Å; H141-S145 PolarHBondContact O-N 2.96Å; H141-S145 PolarHBondContact O-OG 3.17Å; E143-S145 PolarHBondContact O-N 2.83Å; S145-K148 PolarHBondContact O-N 2.87Å; S145-R149 WeakPolarHBondContact O-CB 3.47Å; S145-R149 PolarHBondContact O-N 3.35Å
146	L	89.7	Confident	89.6	Confident	93 Å²	93	60.1 Å²	60.1	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-66.1	-43.4	174.8	-179.9	62.6	0	0	0	111	P142 E143 K148 R149 N150	P142-L146 WeakPolarHBondContact O-CB 3.47Å; P142-L146 PolarHBondContact O-N 3.33Å; E143-L146 PolarHBondContact O-N 3.17Å; L146-K148 PolarHBondContact O-N 3.17Å; L146-R149 PolarHBondContact O-N 3.25Å; L146-N150 WeakPolarHBondContact O-CB 3.49Å; L146-N150 PolarHBondContact O-N 3.25Å; L146-N150 PolarHBondContact O-ND2 3.34Å
147	K	91.5	Very high	89.7	Confident	120 Å²	120	65 Å²	65	52%	0.522	31%	0.314	S	S	.	.	H	α-helix	trans	-56.9	-49.5	174.3	-175.8	-177.6	175.5	-174	0	111	E143 D144 R149 N150 E151	E143-K147 PolarHBondContact O-N 3.45Å; D144-K147 PolarHBondContact O-N 3.12Å; K147-R149 VanDerWaalsContact C-N 3.35Å; K147-R149 PolarHBondContact O-N 2.99Å; K147-N150 WeakPolarHBondContact O-CB 3.25Å; K147-N150 PolarHBondContact O-N 3.3Å; K147-N150 VanDerWaalsContact O-N 3.15Å; K147-E151 VanDerWaalsContact CE-OE1 3.23Å; K147-E151 WeakPolarHBondContact CE-OE1 3.38Å; K147-E151 WeakPolarHBondContact O-CG 3.05Å; K147-E151 PolarHBondContact O-N 2.95Å
148	K	87.7	Confident	89.8	Confident	71 Å²	71	66.3 Å²	66.3	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-44.7	175.6	-170.6	-179.1	-176	172.7	0	112.3	M138 D144 S145 L146 N150 E151 Q152	M138-K148 HydrophobicContact CB-CD 4.3Å; M138-K148 HydrophobicContact CE-CB 3.71Å; M138-K148 HydrophobicContact CE-CD 4.07Å; M138-K148 HydrophobicContact CE-CG 3.98Å; M138-K148 WeakPolarHBondContact O-CD 3.36Å; D144-K148 PolarHBondContact O-N 3.45Å; S145-K148 PolarHBondContact O-N 2.87Å; L146-K148 PolarHBondContact O-N 3.17Å; K148-N150 VanDerWaalsContact C-N 3.29Å; K148-N150 PolarHBondContact O-N 3.08Å; K148-E151 PolarHBondContact O-N 2.94Å; K148-Q152 WeakPolarHBondContact O-CG 3.46Å; K148-Q152 PolarHBondContact O-N 2.91Å
149	R	87.3	Confident	90.1	Very high	130 Å²	130	64.4 Å²	64.4	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-37.8	177.8	-174.1	178.7	178.9	-179.3	-3.7	111.4	S145 L146 K147 K153	S145-R149 WeakPolarHBondContact O-CB 3.47Å; S145-R149 PolarHBondContact O-N 3.35Å; L146-R149 PolarHBondContact O-N 3.25Å; K147-R149 VanDerWaalsContact C-N 3.35Å; K147-R149 PolarHBondContact O-N 2.99Å; R149-K153 WeakPolarHBondContact O-CB 3.19Å; R149-K153 VanDerWaalsContact O-CG 3.29Å; R149-K153 WeakPolarHBondContact O-CG 3.36Å; R149-K153 PolarHBondContact O-N 3.41Å
150	N	90.9	Very high	90.4	Very high	80 Å²	80	61.8 Å²	61.8	43%	0.428	30%	0.299	S	S	.	.	H	α-helix	trans	-69	-41.5	176.8	-70.5	-17.6	0	0	0	111.7	L146 K147 K148 K153 A154	L146-N150 WeakPolarHBondContact O-CB 3.49Å; L146-N150 PolarHBondContact O-N 3.25Å; L146-N150 PolarHBondContact O-ND2 3.34Å; K147-N150 WeakPolarHBondContact O-CB 3.25Å; K147-N150 PolarHBondContact O-N 3.3Å; K147-N150 VanDerWaalsContact O-N 3.15Å; K148-N150 VanDerWaalsContact C-N 3.29Å; K148-N150 PolarHBondContact O-N 3.08Å; N150-K153 PolarHBondContact O-N 3.24Å; N150-A154 WeakPolarHBondContact O-CB 3.45Å; N150-A154 PolarHBondContact O-N 3.31Å
151	E	90.4	Very high	90.6	Very high	91 Å²	91	66.6 Å²	66.6	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-46.4	172.7	-71.9	169.4	-178	0	0	111.2	K147 K148 A154 A155	K147-E151 VanDerWaalsContact CE-OE1 3.23Å; K147-E151 WeakPolarHBondContact CE-OE1 3.38Å; K147-E151 WeakPolarHBondContact O-CG 3.05Å; K147-E151 PolarHBondContact O-N 2.95Å; K148-E151 PolarHBondContact O-N 2.94Å; E151-A154 PolarHBondContact O-N 2.83Å; E151-A155 PolarHBondContact O-N 3.47Å
152	Q	88.7	Confident	90.6	Very high	71 Å²	71	66.5 Å²	66.5	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-46.2	175	-74.1	179.6	-23.6	0	0	112	K148 A154 A155 T156	K148-Q152 WeakPolarHBondContact O-CG 3.46Å; K148-Q152 PolarHBondContact O-N 2.91Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.21Å; Q152-A155 PolarHBondContact O-N 3.16Å; Q152-T156 PolarHBondContact O-N 3.32Å; Q152-T156 PolarHBondContact O-OG1 2.89Å
153	K	90.3	Very high	90.8	Very high	57 Å²	57	65.1 Å²	65.1	25%	0.248	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-40.7	175.8	-77.4	177.5	178.5	-177.9	0	112.1	R149 N150 T156 K157	R149-K153 WeakPolarHBondContact O-CB 3.19Å; R149-K153 VanDerWaalsContact O-CG 3.29Å; R149-K153 WeakPolarHBondContact O-CG 3.36Å; R149-K153 PolarHBondContact O-N 3.41Å; N150-K153 PolarHBondContact O-N 3.24Å; K153-T156 PolarHBondContact O-N 3.01Å; K153-K157 WeakPolarHBondContact O-CG 3.39Å; K153-K157 PolarHBondContact O-N 2.92Å
154	A	91.8	Very high	90.9	Very high	58 Å²	58	60.8 Å²	60.8	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-40.8	176.8	0	0	0	0	0	111.4	N150 E151 Q152 K157 R158	N150-A154 WeakPolarHBondContact O-CB 3.45Å; N150-A154 PolarHBondContact O-N 3.31Å; E151-A154 PolarHBondContact O-N 2.83Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.21Å; A154-K157 PolarHBondContact O-N 2.78Å; A154-R158 PolarHBondContact O-N 3.44Å
155	A	91.8	Very high	91.1	Very high	16 Å²	16	61.8 Å²	61.8	13%	0.132	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-44.4	174.2	0	0	0	0	0	112.1	E151 Q152 K157 R158 R159 D544	E151-A155 PolarHBondContact O-N 3.47Å; Q152-A155 PolarHBondContact O-N 3.16Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 2.89Å; A155-R158 PolarHBondContact O-N 3.36Å; A155-R159 WeakPolarHBondContact O-CG 3.37Å; A155-R159 PolarHBondContact O-N 3.01Å; A155-D544 HydrophobicContact CB-CB 4.39Å
156	T	92.4	Very high	91.3	Very high	22 Å²	22	60.5 Å²	60.5	14%	0.135	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-42.4	174.6	-54.3	0	0	0	0	111.5	Q152 K153 R159 L160 A424 L426 V529	Q152-T156 PolarHBondContact O-N 3.32Å; Q152-T156 PolarHBondContact O-OG1 2.89Å; K153-T156 PolarHBondContact O-N 3.01Å; T156-R159 PolarHBondContact O-N 2.83Å; T156-L160 PolarHBondContact O-N 3Å; T156-A424 HydrophobicContact CG2-CB 4.22Å; T156-L426 HydrophobicContact CG2-CD1 4.01Å; T156-L426 HydrophobicContact CG2-CD2 4.02Å; T156-L426 HydrophobicContact CG2-CG 4.5Å; T156-V529 HydrophobicContact CG2-CG1 3.82Å
157	K	92.2	Very high	91.2	Very high	102 Å²	102	57.6 Å²	57.6	44%	0.443	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-44.8	174.8	-75.2	179.7	179.2	-171.4	0	112.1	K153 A154 A155 R159 L160 D161 L426	K153-K157 WeakPolarHBondContact O-CG 3.39Å; K153-K157 PolarHBondContact O-N 2.92Å; A154-K157 PolarHBondContact O-N 2.78Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 2.89Å; K157-R159 VanDerWaalsContact C-N 3.29Å; K157-R159 PolarHBondContact O-N 3.27Å; K157-L160 VanDerWaalsContact O-CB 3.31Å; K157-L160 WeakPolarHBondContact O-CB 3.49Å; K157-L160 PolarHBondContact O-N 2.77Å; K157-L160 VanDerWaalsContact O-N 3.12Å; K157-D161 PolarHBondContact O-N 2.95Å; K157-L426 HydrophobicContact CB-CD2 4.48Å; K157-L426 HydrophobicContact CG-CD2 3.54Å
158	R	92.5	Very high	91.1	Very high	117 Å²	117	58.6 Å²	58.6	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-40.9	175.6	-174.8	177	-178.7	174.7	-0.4	111.9	A154 A155 D161 V162 L196	A154-R158 PolarHBondContact O-N 3.44Å; A155-R158 PolarHBondContact O-N 3.36Å; R158-D161 PolarHBondContact O-N 2.73Å; R158-V162 WeakPolarHBondContact O-CG2 3.47Å; R158-V162 PolarHBondContact O-N 3.33Å; R158-V162 VanDerWaalsContact O-N 3.1Å; R158-L196 HydrophobicContact CG-CD2 4.31Å; R158-L196 PolarHBondContact NH2-O 2.92Å
159	R	93.8	Very high	91.1	Very high	11 Å²	11	58.8 Å²	58.8	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-37.7	175.2	-73.6	169.2	165.3	165.4	-8.8	112.6	A155 T156 K157 V162 F163 L196 I528 S531 D544 R549	A155-R159 WeakPolarHBondContact O-CG 3.37Å; A155-R159 PolarHBondContact O-N 3.01Å; T156-R159 PolarHBondContact O-N 2.83Å; K157-R159 VanDerWaalsContact C-N 3.29Å; K157-R159 PolarHBondContact O-N 3.27Å; R159-V162 PolarHBondContact O-N 2.87Å; R159-F163 VanDerWaalsContact O-CB 3.29Å; R159-F163 WeakPolarHBondContact O-CB 3.41Å; R159-F163 PolarHBondContact O-N 3.04Å; R159-L196 HydrophobicContact CG-CD1 4.25Å; R159-L196 HydrophobicContact CG-CD2 3.8Å; R159-I528 WeakPolarHBondContact CD-O 3.46Å; R159-S531 PolarHBondContact NH1-OG 3.05Å; R159-D544 IonicContact CZ-OD1 3.45Å; R159-D544 IonicContact NE-OD1 3.1Å; R159-D544 VanDerWaalsContact NH2-N 3.15Å; R159-D544 IonicContact NH2-OD1 3.25Å; R159-D544 PolarHBondContact NH2-OD1 3.48Å; R159-R549 PolarHBondContact NH2-O 3.28Å
160	L	93.2	Very high	91	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-48.7	173	178.9	67	0	0	0	111.1	T156 K157 V162 F163 M164 L426 W427 Y525 V529	T156-L160 PolarHBondContact O-N 3Å; K157-L160 VanDerWaalsContact O-CB 3.31Å; K157-L160 WeakPolarHBondContact O-CB 3.49Å; K157-L160 PolarHBondContact O-N 2.77Å; K157-L160 VanDerWaalsContact O-N 3.12Å; L160-V162 VanDerWaalsContact C-N 3.35Å; L160-V162 PolarHBondContact O-N 2.97Å; L160-F163 PolarHBondContact O-N 3.25Å; L160-M164 HydrophobicContact CD1-CE 3.59Å; L160-M164 HydrophobicContact CD1-CG 4.31Å; L160-M164 WeakPolarHBondContact O-CG 3.28Å; L160-M164 PolarHBondContact O-N 3.23Å; L160-L426 HydrophobicContact CD2-CB 4.08Å; L160-L426 HydrophobicContact CD2-CD1 4.24Å; L160-L426 HydrophobicContact CD2-CD2 4.29Å; L160-L426 HydrophobicContact CD2-CG 4.42Å; L160-W427 HydrophobicContact CD1-CZ2 4.12Å; L160-W427 HydrophobicContact CD2-CZ2 4.39Å; L160-Y525 HydrophobicContact CD1-CE2 3.49Å; L160-Y525 VanDerWaalsContact CD1-CE2 3.49Å; L160-V529 HydrophobicContact CB-CG1 3.99Å; L160-V529 HydrophobicContact CD1-CG1 4.33Å; L160-V529 HydrophobicContact CD1-CG2 4.25Å
161	D	92.9	Very high	90.7	Very high	107 Å²	107	51.5 Å²	51.5	57%	0.572	26%	0.259	S	S	*	.	H	α-helix	trans	-60	-46	180	-62.6	-25.3	0	0	0	111.1	K157 R158 F163 M164 E165	K157-D161 PolarHBondContact O-N 2.95Å; R158-D161 PolarHBondContact O-N 2.73Å; D161-F163 PolarHBondContact O-N 3.27Å; D161-M164 PolarHBondContact O-N 2.9Å; D161-E165 PolarHBondContact O-N 2.85Å
162	V	92.5	Very high	90.4	Very high	10 Å²	10	47.3 Å²	47.3	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-42.3	175.6	170.1	0	0	0	0	111.7	R158 R159 L160 E165 L166 K195 L196	R158-V162 WeakPolarHBondContact O-CG2 3.47Å; R158-V162 PolarHBondContact O-N 3.33Å; R158-V162 VanDerWaalsContact O-N 3.1Å; R159-V162 PolarHBondContact O-N 2.87Å; L160-V162 VanDerWaalsContact C-N 3.35Å; L160-V162 PolarHBondContact O-N 2.97Å; V162-E165 PolarHBondContact O-N 3.03Å; V162-L166 HydrophobicContact CG1-CD1 3.92Å; V162-L166 HydrophobicContact CG1-CG 4.48Å; V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 WeakPolarHBondContact O-CG 3.5Å; V162-L166 PolarHBondContact O-N 2.76Å; V162-K195 HydrophobicContact CB-CB 4.41Å; V162-K195 HydrophobicContact CG1-CB 3.53Å; V162-K195 HydrophobicContact CG1-CG 4.32Å; V162-K195 HydrophobicContact CG2-CB 3.98Å; V162-L196 HydrophobicContact CG2-CD2 4.08Å
163	F	93.3	Very high	90.1	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-42.4	179.1	178	-97.5	0	0	0	111.9	R159 L160 D161 L166 M167 V172 L459 L524 Y525 I528 V529	R159-F163 VanDerWaalsContact O-CB 3.29Å; R159-F163 WeakPolarHBondContact O-CB 3.41Å; R159-F163 PolarHBondContact O-N 3.04Å; L160-F163 PolarHBondContact O-N 3.25Å; D161-F163 PolarHBondContact O-N 3.27Å; F163-L166 PolarHBondContact O-N 2.97Å; F163-M167 HydrophobicContact CD1-CE 3.81Å; F163-M167 HydrophobicContact CE1-CE 3.06Å; F163-M167 HydrophobicContact CZ-CE 3.71Å; F163-M167 WeakPolarHBondContact O-CB 3.43Å; F163-M167 PolarHBondContact O-N 2.97Å; F163-V172 HydrophobicContact CD2-CG2 4.46Å; F163-V172 HydrophobicContact CE2-CG1 4.45Å; F163-V172 HydrophobicContact CE2-CG2 3.91Å; F163-V172 HydrophobicContact CZ-CG1 4.34Å; F163-V172 HydrophobicContact CZ-CG2 4.28Å; F163-L459 HydrophobicContact CE1-CD1 3.89Å; F163-L459 HydrophobicContact CZ-CD1 4.17Å; F163-L524 HydrophobicContact CE2-CB 4.21Å; F163-Y525 AromaticContact CD1-CD2 3.72Å; F163-Y525 HydrophobicContact CD1-CD2 3.72Å; F163-Y525 HydrophobicContact CD1-CE2 4.37Å; F163-Y525 AromaticContact CE1-CD2 3.48Å; F163-Y525 HydrophobicContact CE1-CD2 3.48Å; F163-Y525 VanDerWaalsContact CE1-CD2 3.48Å; F163-Y525 HydrophobicContact CE1-CE2 4.44Å; F163-Y525 HydrophobicContact CE1-CG 4.25Å; F163-Y525 HydrophobicContact CZ-CD2 4.16Å; F163-I528 HydrophobicContact CB-CG2 4.03Å; F163-I528 HydrophobicContact CD2-CB 3.97Å; F163-I528 HydrophobicContact CD2-CD1 3.73Å; F163-I528 HydrophobicContact CD2-CG1 4.45Å; F163-I528 HydrophobicContact CD2-CG2 3.96Å; F163-I528 HydrophobicContact CE2-CD1 3.98Å; F163-I528 HydrophobicContact CG-CG2 4.43Å; F163-V529 HydrophobicContact CB-CG2 3.8Å; F163-V529 HydrophobicContact CD1-CG2 4.25Å; F163-V529 HydrophobicContact CG-CG2 3.98Å
164	M	92.1	Very high	89.5	Confident	36 Å²	36	56 Å²	56	18%	0.177	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-43.8	176.5	-67	-63.9	172	0	0	111.3	L160 D161 L166 M167 D168 W427 P458 Y525	L160-M164 HydrophobicContact CD1-CE 3.59Å; L160-M164 HydrophobicContact CD1-CG 4.31Å; L160-M164 WeakPolarHBondContact O-CG 3.28Å; L160-M164 PolarHBondContact O-N 3.23Å; D161-M164 PolarHBondContact O-N 2.9Å; M164-L166 VanDerWaalsContact C-N 3.34Å; M164-L166 PolarHBondContact O-N 2.98Å; M164-M167 WeakPolarHBondContact O-CB 3.31Å; M164-M167 PolarHBondContact O-N 3.45Å; M164-M167 VanDerWaalsContact O-N 3.15Å; M164-M167 HydrophobicContact SD-CE 4.04Å; M164-D168 PolarHBondContact O-N 3.27Å; M164-W427 HydrophobicContact CE-CH2 3.52Å; M164-W427 HydrophobicContact CE-CZ2 3.5Å; M164-P458 HydrophobicContact CE-CG 4.02Å; M164-P458 HydrophobicContact SD-CG 4.37Å; M164-Y525 HydrophobicContact CE-CE2 4.35Å
165	E	91.4	Very high	89	Confident	64 Å²	64	53.9 Å²	53.9	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-44.1	175.6	-167.9	-164.6	151.4	0	0	112.1	D161 V162 M167 D168 K169 K195	D161-E165 PolarHBondContact O-N 2.85Å; V162-E165 PolarHBondContact O-N 3.03Å; E165-M167 VanDerWaalsContact C-N 3.33Å; E165-D168 PolarHBondContact O-N 3.39Å; E165-K169 WeakPolarHBondContact O-CG 3.46Å; E165-K169 PolarHBondContact O-N 3.37Å; E165-K169 VanDerWaalsContact O-N 3.07Å; E165-K169 IonicContact OE1-NZ 3.61Å; E165-K169 PolarHBondContact OE1-NZ 3.43Å; E165-K195 VanDerWaalsContact OE1-CE 3.24Å; E165-K195 WeakPolarHBondContact OE1-CE 3.2Å; E165-K195 IonicContact OE1-NZ 3.88Å; E165-K195 PolarHBondContact OE1-NZ 3.36Å; E165-K195 IonicContact OE2-NZ 3.88Å
166	L	90.5	Very high	88.7	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-70.8	-29.3	177.5	-70.5	173.7	0	0	0	112.8	V162 F163 M164 G170 Y171 A191 V192 L204	V162-L166 HydrophobicContact CG1-CD1 3.92Å; V162-L166 HydrophobicContact CG1-CG 4.48Å; V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 WeakPolarHBondContact O-CG 3.5Å; V162-L166 PolarHBondContact O-N 2.76Å; F163-L166 PolarHBondContact O-N 2.97Å; M164-L166 VanDerWaalsContact C-N 3.34Å; M164-L166 PolarHBondContact O-N 2.98Å; L166-G170 PolarHBondContact O-N 3.29Å; L166-Y171 HydrophobicContact CD2-CD2 3.91Å; L166-Y171 HydrophobicContact CD2-CE2 4.23Å; L166-Y171 HydrophobicContact CD2-CG 4.36Å; L166-Y171 PolarHBondContact O-N 2.97Å; L166-A191 HydrophobicContact CD2-CB 4.22Å; L166-V192 HydrophobicContact CD1-CB 4.26Å; L166-V192 HydrophobicContact CD1-CG2 3.42Å; L166-V192 VanDerWaalsContact CD1-CG2 3.42Å; L166-L204 HydrophobicContact CD2-CD1 4.2Å
167	M	88.6	Confident	88.3	Confident	32 Å²	32	53.6 Å²	53.6	16%	0.158	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-44.4	172.8	-170.2	-170.2	-54.5	0	0	111.1	F163 M164 E165 K169 G170 V172 L459	F163-M167 HydrophobicContact CD1-CE 3.81Å; F163-M167 HydrophobicContact CE1-CE 3.06Å; F163-M167 HydrophobicContact CZ-CE 3.71Å; F163-M167 WeakPolarHBondContact O-CB 3.43Å; F163-M167 PolarHBondContact O-N 2.97Å; M164-M167 WeakPolarHBondContact O-CB 3.31Å; M164-M167 PolarHBondContact O-N 3.45Å; M164-M167 VanDerWaalsContact O-N 3.15Å; M164-M167 HydrophobicContact SD-CE 4.04Å; E165-M167 VanDerWaalsContact C-N 3.33Å; M167-K169 VanDerWaalsContact C-N 3.32Å; M167-K169 PolarHBondContact O-N 2.74Å; M167-G170 WeakPolarHBondContact O-CA 3.45Å; M167-G170 PolarHBondContact O-N 3.22Å; M167-V172 HydrophobicContact CB-CG2 4.14Å; M167-V172 HydrophobicContact CG-CB 4.45Å; M167-L459 HydrophobicContact CE-CD1 4.11Å; M167-L459 HydrophobicContact CE-CD2 3.65Å; M167-L459 HydrophobicContact CE-CG 4Å; M167-L459 HydrophobicContact SD-CD2 4.09Å
168	D	89.4	Confident	87.9	Confident	141 Å²	141	50.6 Å²	50.6	75%	0.754	24%	0.244	S	C	*	.	H	α-helix	trans	-64.5	-37.3	177.7	-72.4	-18.4	0	0	0	111.8	M164 E165 G170	M164-D168 PolarHBondContact O-N 3.27Å; E165-D168 PolarHBondContact O-N 3.39Å; D168-G170 PolarHBondContact O-N 2.8Å
169	K	87.8	Confident	87.4	Confident	75 Å²	75	49.5 Å²	49.5	33%	0.326	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.5	171.6	-72.7	173.4	172.9	173.3	0	113.9	E165 M167 Y171 D201	E165-K169 WeakPolarHBondContact O-CG 3.46Å; E165-K169 PolarHBondContact O-N 3.37Å; E165-K169 VanDerWaalsContact O-N 3.07Å; E165-K169 IonicContact OE1-NZ 3.61Å; E165-K169 PolarHBondContact OE1-NZ 3.43Å; M167-K169 VanDerWaalsContact C-N 3.32Å; M167-K169 PolarHBondContact O-N 2.74Å; K169-Y171 HydrophobicContact CB-CD2 3.75Å; K169-Y171 HydrophobicContact CB-CE2 3.96Å; K169-Y171 HydrophobicContact CD-CE2 4.48Å; K169-D201 IonicContact NZ-OD1 3.72Å; K169-D201 PolarHBondContact NZ-OD1 3.33Å; K169-D201 IonicContact NZ-OD2 2.82Å; K169-D201 PolarHBondContact NZ-OD2 3.31Å
170	G	85.2	Confident	86.9	Confident	17 Å²	17	54.9 Å²	54.9	18%	0.175	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	11.7	175.1	0	0	0	0	0	115.4	L166 M167 D168 K174	L166-G170 PolarHBondContact O-N 3.29Å; M167-G170 WeakPolarHBondContact O-CA 3.45Å; M167-G170 PolarHBondContact O-N 3.22Å; D168-G170 PolarHBondContact O-N 2.8Å; G170-K174 WeakPolarHBondContact O-CG 3.3Å; G170-K174 PolarHBondContact O-N 3.39Å
171	Y	84.8	Confident	86.4	Confident	39 Å²	39	58.1 Å²	58.1	15%	0.153	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-42.5	176.5	-78.4	-94.4	0	0	0	111.6	L166 K169 K173 K174 C175	L166-Y171 HydrophobicContact CD2-CD2 3.91Å; L166-Y171 HydrophobicContact CD2-CE2 4.23Å; L166-Y171 HydrophobicContact CD2-CG 4.36Å; L166-Y171 PolarHBondContact O-N 2.97Å; K169-Y171 HydrophobicContact CB-CD2 3.75Å; K169-Y171 HydrophobicContact CB-CE2 3.96Å; K169-Y171 HydrophobicContact CD-CE2 4.48Å; Y171-K173 VanDerWaalsContact C-N 3.35Å; Y171-K173 PolarHBondContact O-N 3.4Å; Y171-K174 PolarHBondContact O-N 2.99Å; Y171-C175 PolarHBondContact O-SG 3.21Å
172	V	84.1	Confident	86	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-39	-178.4	-177.9	0	0	0	0	111.5	F163 M167 K174 C175 L188 P521 L524	F163-V172 HydrophobicContact CD2-CG2 4.46Å; F163-V172 HydrophobicContact CE2-CG1 4.45Å; F163-V172 HydrophobicContact CE2-CG2 3.91Å; F163-V172 HydrophobicContact CZ-CG1 4.34Å; F163-V172 HydrophobicContact CZ-CG2 4.28Å; M167-V172 HydrophobicContact CB-CG2 4.14Å; M167-V172 HydrophobicContact CG-CB 4.45Å; V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 PolarHBondContact O-N 3.29Å; V172-C175 PolarHBondContact O-N 2.74Å; V172-L188 HydrophobicContact CG2-CD1 4.46Å; V172-P521 HydrophobicContact CG1-CB 4.12Å; V172-P521 HydrophobicContact CG1-CG 4.48Å; V172-L524 HydrophobicContact CG1-CD1 3.95Å
173	K	80.7	Confident	85.7	Confident	181 Å²	181	59.5 Å²	59.5	79%	0.787	30%	0.295	S	S	*	.	H	α-helix	trans	-69	-23.8	-179.6	-66.9	-178.9	-178.6	173.3	0	113.6	Y171	Y171-K173 VanDerWaalsContact C-N 3.35Å; Y171-K173 PolarHBondContact O-N 3.4Å
174	K	78.4	Confident	85.5	Confident	129 Å²	129	62.4 Å²	62.4	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-81.8	-15.7	177.8	-69	175.9	-178.6	178.7	0	112.7	G170 Y171 V172 E208	G170-K174 WeakPolarHBondContact O-CG 3.3Å; G170-K174 PolarHBondContact O-N 3.39Å; Y171-K174 PolarHBondContact O-N 2.99Å; V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 PolarHBondContact O-N 3.29Å; K174-E208 IonicContact NZ-OE1 4Å
175	C	81.7	Confident	85.3	Confident	13 Å²	13	60.7 Å²	60.7	9%	0.088	30%	0.302	C	S	.	.			trans	-98.9	130.7	-174	-63.1	0	0	0	0	110.6	Y171 V172 L185 L188 L524	Y171-C175 PolarHBondContact O-SG 3.21Å; V172-C175 PolarHBondContact O-N 2.74Å; C175-L185 HydrophobicContact CB-CD2 3.92Å; C175-L188 HydrophobicContact CB-CD2 4.3Å; C175-L524 HydrophobicContact CB-CD1 4.15Å
176	S	84.2	Confident	85.2	Confident	29 Å²	29	59.7 Å²	59.7	20%	0.203	30%	0.298	C	S	.	.			trans	-117.5	145	165.3	-173.7	0	0	0	0	109.7	D178 H181 D520	S176-D178 PolarHBondContact O-N 3.15Å; S176-D178 PolarHBondContact OG-OD2 3.17Å; S176-H181 WeakPolarHBondContact O-CB 3.33Å; S176-D520 WeakPolarHBondContact CA-OD2 3.34Å; S176-D520 WeakPolarHBondContact CB-OD2 3.36Å; S176-D520 PolarHBondContact OG-OD2 2.88Å
177	L	84.8	Confident	85.1	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	31%	0.308	C	S	.	.	S	Bend	trans	-85	48.4	-174.6	-70.3	172.4	0	0	0	112.9	L185 D520 L523 L524 I553 V555 R556	L177-L185 HydrophobicContact CD2-CD1 4.07Å; L177-L185 HydrophobicContact CD2-CD2 3.72Å; L177-D520 WeakPolarHBondContact CB-OD1 3.47Å; L177-D520 HydrophobicContact CD1-CB 4.25Å; L177-D520 HydrophobicContact CG-CB 4.24Å; L177-D520 PolarHBondContact N-OD2 2.71Å; L177-L523 HydrophobicContact CD1-CB 3.25Å; L177-L523 HydrophobicContact CD1-CD1 3.54Å; L177-L523 HydrophobicContact CD1-CG 4.03Å; L177-L524 HydrophobicContact CD1-CG 4.41Å; L177-L524 HydrophobicContact CD2-CD2 3.92Å; L177-L524 HydrophobicContact CD2-CG 4.33Å; L177-L524 HydrophobicContact CG-CG 4.47Å; L177-I553 HydrophobicContact CD2-CD1 3.71Å; L177-V555 HydrophobicContact CD2-CG1 4.33Å; L177-R556 WeakPolarHBondContact O-CB 3.37Å; L177-R556 PolarHBondContact O-N 2.86Å
178	D	84.3	Confident	85.2	Confident	40 Å²	40	60.4 Å²	60.4	21%	0.214	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-113.5	150.6	175	-70.5	-52.3	0	0	0	110	S176 D180 H181 R556	S176-D178 PolarHBondContact O-N 3.15Å; S176-D178 PolarHBondContact OG-OD2 3.17Å; D178-D180 PolarHBondContact O-N 3.17Å; D178-D180 VanDerWaalsContact O-N 3.14Å; D178-H181 PolarHBondContact O-N 3.4Å; D178-R556 WeakPolarHBondContact OD1-CB 3.27Å; D178-R556 IonicContact OD1-CZ 3.51Å; D178-R556 VanDerWaalsContact OD1-CZ 3.26Å; D178-R556 IonicContact OD1-NE 2.87Å; D178-R556 IonicContact OD1-NH1 3.91Å; D178-R556 PolarHBondContact OD1-NH1 3.28Å; D178-R556 IonicContact OD1-NH2 3Å; D178-R556 IonicContact OD2-CZ 3.93Å; D178-R556 IonicContact OD2-NH1 2.77Å; D178-R556 PolarHBondContact OD2-NH1 3.49Å; D178-R556 IonicContact OD2-NH2 3.74Å; D178-R556 PolarHBondContact OD2-NH2 3.29Å
179	Q	82.7	Confident	85.3	Confident	94 Å²	94	54 Å²	54	44%	0.439	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-55.6	-31.6	-179.1	-173.5	172.8	7.3	0	0	113.1	H181 A182 A395 V555 R556	Q179-H181 PolarHBondContact O-N 3.42Å; Q179-A182 WeakPolarHBondContact O-CB 3.28Å; Q179-A182 PolarHBondContact O-N 3.46Å; Q179-A395 HydrophobicContact CG-CB 4.38Å; Q179-V555 HydrophobicContact CB-CG2 4.4Å; Q179-R556 PolarHBondContact N-O 2.84Å; Q179-R556 VanDerWaalsContact N-O 3.12Å
180	D	81.3	Confident	85.4	Confident	123 Å²	123	50.6 Å²	50.6	66%	0.658	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-69	-17.6	-179.1	-57.5	-26.9	0	0	0	113.2	D178	D178-D180 PolarHBondContact O-N 3.17Å; D178-D180 VanDerWaalsContact O-N 3.14Å
181	H	83.3	Confident	85.6	Confident	82 Å²	82	49.8 Å²	49.8	38%	0.38	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-106.9	23.9	-179.4	-63.8	-52.5	0	0	0	113.1	S176 D178 Q179 E183 N184 L185	S176-H181 WeakPolarHBondContact O-CB 3.33Å; D178-H181 PolarHBondContact O-N 3.4Å; Q179-H181 PolarHBondContact O-N 3.42Å; H181-E183 VanDerWaalsContact C-N 3.32Å; H181-E183 PolarHBondContact O-N 3.45Å; H181-N184 PolarHBondContact O-N 2.92Å; H181-L185 PolarHBondContact O-N 3.02Å
182	A	85.8	Confident	85.9	Confident	27 Å²	27	48 Å²	48	22%	0.223	24%	0.237	C	C	.	.	H	α-helix	trans	-54.2	-42.6	-176.8	0	0	0	0	0	113.7	Q179 N184 L185 I186 I393	Q179-A182 WeakPolarHBondContact O-CB 3.28Å; Q179-A182 PolarHBondContact O-N 3.46Å; A182-N184 PolarHBondContact O-N 3.3Å; A182-L185 PolarHBondContact O-N 2.77Å; A182-I186 WeakPolarHBondContact O-CG1 3.23Å; A182-I186 PolarHBondContact O-N 2.93Å; A182-I393 VanDerWaalsContact CA-CD1 3.41Å; A182-I393 HydrophobicContact CB-CD1 3.62Å; A182-I393 HydrophobicContact CB-CG2 4.39Å; A182-I393 WeakPolarHBondContact O-CD1 3.38Å
183	E	85.8	Confident	86.3	Confident	118 Å²	118	48.2 Å²	48.2	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-62.3	-42.7	-179.4	-65.2	179.7	-169.7	0	0	113	H181 L185 I186 K187	H181-E183 VanDerWaalsContact C-N 3.32Å; H181-E183 PolarHBondContact O-N 3.45Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.09Å; E183-I186 PolarHBondContact O-N 3.18Å; E183-K187 WeakPolarHBondContact O-CG 3.37Å; E183-K187 PolarHBondContact O-N 2.67Å
184	N	87.8	Confident	86.7	Confident	62 Å²	62	39.6 Å²	39.6	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-38.3	178.7	-69.8	-22.6	0	0	0	111.1	H181 A182 K187 L188	H181-N184 PolarHBondContact O-N 2.92Å; A182-N184 PolarHBondContact O-N 3.3Å; N184-K187 PolarHBondContact O-N 3.45Å; N184-L188 WeakPolarHBondContact O-CB 3.21Å; N184-L188 PolarHBondContact O-N 3.44Å
185	L	89.7	Confident	87.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-42	175.6	-68.6	171.7	0	0	0	111.8	C175 L177 H181 A182 E183 K187 L188 M189 I393 L524 V555	C175-L185 HydrophobicContact CB-CD2 3.92Å; L177-L185 HydrophobicContact CD2-CD1 4.07Å; L177-L185 HydrophobicContact CD2-CD2 3.72Å; H181-L185 PolarHBondContact O-N 3.02Å; A182-L185 PolarHBondContact O-N 2.77Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.09Å; L185-K187 PolarHBondContact O-N 3.19Å; L185-L188 PolarHBondContact O-N 3.32Å; L185-M189 WeakPolarHBondContact O-CB 3.43Å; L185-M189 WeakPolarHBondContact O-CG 3.2Å; L185-M189 PolarHBondContact O-N 3.37Å; L185-I393 HydrophobicContact CB-CD1 3.77Å; L185-I393 HydrophobicContact CD1-CD1 4.26Å; L185-L524 HydrophobicContact CD2-CD2 4.12Å; L185-V555 HydrophobicContact CD1-CG1 3.65Å
186	I	89.4	Confident	87.6	Confident	42 Å²	42	34.1 Å²	34.1	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-45.6	175.2	-67.1	166.1	0	0	0	110.3	A182 E183 L188 M189 D190 Y212 I393	A182-I186 WeakPolarHBondContact O-CG1 3.23Å; A182-I186 PolarHBondContact O-N 2.93Å; E183-I186 PolarHBondContact O-N 3.18Å; I186-L188 PolarHBondContact O-N 2.96Å; I186-M189 PolarHBondContact O-N 2.86Å; I186-D190 WeakPolarHBondContact O-CB 3.48Å; I186-D190 PolarHBondContact O-N 2.88Å; I186-Y212 HydrophobicContact CG2-CD1 4.46Å; I186-Y212 HydrophobicContact CG2-CE1 3.74Å; I186-Y212 HydrophobicContact CG2-CE2 4.36Å; I186-I393 HydrophobicContact CD1-CD1 4.13Å; I186-I393 HydrophobicContact CG1-CD1 3.69Å; I186-I393 HydrophobicContact CG1-CG1 4.22Å
187	K	88.3	Confident	87.7	Confident	47 Å²	47	35.3 Å²	35.3	20%	0.204	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-44.9	175.4	-75.4	177.6	-179.7	-177.4	0	112.2	E183 N184 L185 D190 A191 I207 Y212	E183-K187 WeakPolarHBondContact O-CG 3.37Å; E183-K187 PolarHBondContact O-N 2.67Å; N184-K187 PolarHBondContact O-N 3.45Å; L185-K187 PolarHBondContact O-N 3.19Å; K187-D190 PolarHBondContact O-N 3.26Å; K187-A191 VanDerWaalsContact O-CB 3.3Å; K187-A191 WeakPolarHBondContact O-CB 3.2Å; K187-A191 PolarHBondContact O-N 3.09Å; K187-I207 HydrophobicContact CG-CG2 4.33Å; K187-Y212 HydrophobicContact CD-CE2 4.43Å; K187-Y212 HydrophobicContact CG-CD2 4.48Å; K187-Y212 HydrophobicContact CG-CE2 3.61Å
188	L	90.4	Very high	87.7	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-47.1	175.6	174.9	69.5	0	0	0	111.2	V172 C175 N184 L185 I186 D190 A191 V192 L524 I528	V172-L188 HydrophobicContact CG2-CD1 4.46Å; C175-L188 HydrophobicContact CB-CD2 4.3Å; N184-L188 WeakPolarHBondContact O-CB 3.21Å; N184-L188 PolarHBondContact O-N 3.44Å; L185-L188 PolarHBondContact O-N 3.32Å; I186-L188 PolarHBondContact O-N 2.96Å; L188-D190 VanDerWaalsContact C-N 3.33Å; L188-D190 PolarHBondContact O-N 2.69Å; L188-A191 WeakPolarHBondContact O-CB 3.11Å; L188-A191 PolarHBondContact O-N 2.97Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.25Å; L188-V192 PolarHBondContact O-N 3.31Å; L188-L524 HydrophobicContact CD2-CD1 3.87Å; L188-L524 HydrophobicContact CD2-CD2 3.8Å; L188-L524 HydrophobicContact CD2-CG 4.42Å; L188-I528 HydrophobicContact CD2-CD1 4.22Å; L188-I528 HydrophobicContact CG-CD1 4.43Å
189	M	90.7	Very high	87.6	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-41.1	179.3	-68.3	170	72.7	0	0	111.3	L185 I186 V192 V193 C550 G551 I553	L185-M189 WeakPolarHBondContact O-CB 3.43Å; L185-M189 WeakPolarHBondContact O-CG 3.2Å; L185-M189 PolarHBondContact O-N 3.37Å; I186-M189 PolarHBondContact O-N 2.86Å; M189-V192 WeakPolarHBondContact O-CB 3.43Å; M189-V192 PolarHBondContact O-N 3.18Å; M189-V193 VanDerWaalsContact O-CG2 3.3Å; M189-V193 WeakPolarHBondContact O-CG2 3.45Å; M189-V193 PolarHBondContact O-N 3.12Å; M189-C550 WeakPolarHBondContact CE-O 3.19Å; M189-G551 WeakPolarHBondContact CE-O 3.36Å; M189-I553 HydrophobicContact CE-CB 4.4Å; M189-I553 HydrophobicContact CE-CG2 4.17Å; M189-I553 HydrophobicContact SD-CB 4.32Å; M189-I553 HydrophobicContact SD-CG2 3.62Å
190	D	90.5	Very high	87.7	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-40.5	176.8	-71.5	-16.7	0	0	0	111.9	I186 K187 L188 V192 V193 I194 I207 Y212 H307 R392	I186-D190 WeakPolarHBondContact O-CB 3.48Å; I186-D190 PolarHBondContact O-N 2.88Å; K187-D190 PolarHBondContact O-N 3.26Å; L188-D190 VanDerWaalsContact C-N 3.33Å; L188-D190 PolarHBondContact O-N 2.69Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 PolarHBondContact O-N 3.36Å; D190-V193 PolarHBondContact O-N 2.99Å; D190-V193 VanDerWaalsContact O-N 3.12Å; D190-I194 WeakPolarHBondContact O-CG1 3.48Å; D190-I194 PolarHBondContact O-N 3.34Å; D190-I207 HydrophobicContact CB-CD1 3.77Å; D190-Y212 PolarHBondContact OD2-OH 3.23Å; D190-H307 HydrophobicContact CB-CB 3.86Å; D190-H307 VanDerWaalsContact CG-CD2 3.45Å; D190-H307 IonicContact OD1-CD2 3.99Å; D190-H307 IonicContact OD2-CD2 2.95Å; D190-H307 PolarHBondContact OD2-CD2 3.38Å; D190-H307 IonicContact OD2-NE2 3.68Å; D190-R392 IonicContact OD1-CZ 2.89Å; D190-R392 IonicContact OD1-NH1 3.44Å; D190-R392 PolarHBondContact OD1-NH1 3.13Å; D190-R392 IonicContact OD1-NH2 3.32Å; D190-R392 PolarHBondContact OD1-NH2 3.18Å; D190-R392 IonicContact OD2-NH1 2.63Å
191	A	89.7	Confident	87.7	Confident	1 Å²	1	33 Å²	33	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-42.3	172.6	0	0	0	0	0	112.3	L166 K187 L188 I194 K195 L204	L166-A191 HydrophobicContact CD2-CB 4.22Å; K187-A191 VanDerWaalsContact O-CB 3.3Å; K187-A191 WeakPolarHBondContact O-CB 3.2Å; K187-A191 PolarHBondContact O-N 3.09Å; L188-A191 WeakPolarHBondContact O-CB 3.11Å; L188-A191 PolarHBondContact O-N 2.97Å; A191-I194 PolarHBondContact O-N 3.49Å; A191-K195 PolarHBondContact O-N 3.27Å; A191-K195 VanDerWaalsContact O-N 3.09Å; A191-L204 HydrophobicContact CB-CD2 3.67Å
192	V	91.2	Very high	87.6	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-47.9	173.2	170.4	0	0	0	0	110.6	L166 L188 M189 D190 I194 K195 L196 I528	L166-V192 HydrophobicContact CD1-CB 4.26Å; L166-V192 HydrophobicContact CD1-CG2 3.42Å; L166-V192 VanDerWaalsContact CD1-CG2 3.42Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.25Å; L188-V192 PolarHBondContact O-N 3.31Å; M189-V192 WeakPolarHBondContact O-CB 3.43Å; M189-V192 PolarHBondContact O-N 3.18Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 PolarHBondContact O-N 3.36Å; V192-I194 PolarHBondContact O-N 2.74Å; V192-K195 PolarHBondContact O-N 3.23Å; V192-L196 HydrophobicContact CG1-CD1 3.8Å; V192-L196 HydrophobicContact CG1-CG 4.32Å; V192-L196 WeakPolarHBondContact O-CB 3.5Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.25Å; V192-I528 HydrophobicContact CG1-CG2 3.88Å; V192-I528 HydrophobicContact CG2-CD1 3.87Å; V192-I528 HydrophobicContact CG2-CG1 4.19Å; V192-I528 HydrophobicContact CG2-CG2 4.01Å
193	V	91.1	Very high	87.3	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-45.1	-179.4	178.6	0	0	0	0	110.9	M189 D190 K195 L196 E197 H307 R549 C550	M189-V193 VanDerWaalsContact O-CG2 3.3Å; M189-V193 WeakPolarHBondContact O-CG2 3.45Å; M189-V193 PolarHBondContact O-N 3.12Å; D190-V193 PolarHBondContact O-N 2.99Å; D190-V193 VanDerWaalsContact O-N 3.12Å; V193-K195 VanDerWaalsContact C-N 3.32Å; V193-K195 PolarHBondContact O-N 2.78Å; V193-L196 PolarHBondContact O-N 3.35Å; V193-L196 VanDerWaalsContact O-N 3.15Å; V193-E197 HydrophobicContact CG1-CG 4.26Å; V193-E197 WeakPolarHBondContact O-CG 3.47Å; V193-E197 PolarHBondContact O-N 3.29Å; V193-H307 HydrophobicContact CB-CB 4.29Å; V193-H307 HydrophobicContact CG1-CB 4.32Å; V193-R549 HydrophobicContact CG1-CB 4.48Å; V193-R549 HydrophobicContact CG2-CB 4.22Å; V193-C550 HydrophobicContact CG2-CB 3.95Å
194	I	89.6	Confident	87.1	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.3	-49	176.8	-70.5	-155.5	0	0	0	110.8	D190 A191 V192 L196 E197 G198 G199 D203 L204 I207 L306 H307	D190-I194 WeakPolarHBondContact O-CG1 3.48Å; D190-I194 PolarHBondContact O-N 3.34Å; A191-I194 PolarHBondContact O-N 3.49Å; V192-I194 PolarHBondContact O-N 2.74Å; I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 PolarHBondContact O-N 3.23Å; I194-E197 PolarHBondContact O-N 3.18Å; I194-G198 PolarHBondContact O-N 3.34Å; I194-G198 VanDerWaalsContact O-N 3.1Å; I194-G199 PolarHBondContact O-N 3.45Å; I194-D203 HydrophobicContact CD1-CB 4.2Å; I194-D203 HydrophobicContact CG2-CB 3.73Å; I194-L204 HydrophobicContact CB-CD2 4.25Å; I194-L204 HydrophobicContact CG2-CD2 4.11Å; I194-I207 HydrophobicContact CD1-CD1 3.23Å; I194-I207 HydrophobicContact CD1-CG1 3.84Å; I194-I207 HydrophobicContact CG1-CD1 3.86Å; I194-L306 HydrophobicContact CD1-CB 4.42Å; I194-L306 HydrophobicContact CG1-CB 4.08Å; I194-L306 HydrophobicContact CG2-CD1 4.3Å; I194-H307 HydrophobicContact CG1-CB 4.08Å
195	K	89.1	Confident	86.7	Confident	25 Å²	25	32 Å²	32	11%	0.109	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-36.9	178.8	-76.5	-76.3	174	175.6	0	112.7	V162 E165 A191 V192 V193 G198 D201 L204	V162-K195 HydrophobicContact CB-CB 4.41Å; V162-K195 HydrophobicContact CG1-CB 3.53Å; V162-K195 HydrophobicContact CG1-CG 4.32Å; V162-K195 HydrophobicContact CG2-CB 3.98Å; E165-K195 VanDerWaalsContact OE1-CE 3.24Å; E165-K195 WeakPolarHBondContact OE1-CE 3.2Å; E165-K195 IonicContact OE1-NZ 3.88Å; E165-K195 PolarHBondContact OE1-NZ 3.36Å; E165-K195 IonicContact OE2-NZ 3.88Å; A191-K195 PolarHBondContact O-N 3.27Å; A191-K195 VanDerWaalsContact O-N 3.09Å; V192-K195 PolarHBondContact O-N 3.23Å; V193-K195 VanDerWaalsContact C-N 3.32Å; V193-K195 PolarHBondContact O-N 2.78Å; K195-G198 PolarHBondContact O-N 2.8Å; K195-D201 WeakPolarHBondContact CE-OD1 3.36Å; K195-D201 IonicContact NZ-OD1 2.94Å; K195-D201 PolarHBondContact NZ-OD1 2.86Å; K195-L204 HydrophobicContact CD-CD1 4.33Å; K195-L204 HydrophobicContact CG-CD1 4.19Å; K195-L204 HydrophobicContact CG-CD2 4.25Å
196	L	89.8	Confident	86.1	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-69.2	-30.8	175.3	-71.3	174.6	0	0	0	113.4	R158 R159 V162 V192 V193 I194 G198 R549	R158-L196 HydrophobicContact CG-CD2 4.31Å; R158-L196 PolarHBondContact NH2-O 2.92Å; R159-L196 HydrophobicContact CG-CD1 4.25Å; R159-L196 HydrophobicContact CG-CD2 3.8Å; V162-L196 HydrophobicContact CG2-CD2 4.08Å; V192-L196 HydrophobicContact CG1-CD1 3.8Å; V192-L196 HydrophobicContact CG1-CG 4.32Å; V192-L196 WeakPolarHBondContact O-CB 3.5Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 3.25Å; V193-L196 PolarHBondContact O-N 3.35Å; V193-L196 VanDerWaalsContact O-N 3.15Å; I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 PolarHBondContact O-N 3.23Å; L196-G198 VanDerWaalsContact C-N 3.28Å; L196-R549 HydrophobicContact CD1-CB 4.26Å
197	E	87.2	Confident	85.5	Confident	54 Å²	54	31.1 Å²	31.1	25%	0.252	17%	0.173	S	C	.	.	H	α-helix	trans	-82	-5.8	173.2	-61.9	-58.8	153.6	0	0	112.8	V193 I194 R338 R549	V193-E197 HydrophobicContact CG1-CG 4.26Å; V193-E197 WeakPolarHBondContact O-CG 3.47Å; V193-E197 PolarHBondContact O-N 3.29Å; I194-E197 PolarHBondContact O-N 3.18Å; E197-R338 IonicContact OE1-CZ 3.34Å; E197-R338 VanDerWaalsContact OE1-CZ 3.22Å; E197-R338 IonicContact OE1-NH1 2.81Å; E197-R338 PolarHBondContact OE1-NH1 3.4Å; E197-R338 IonicContact OE1-NH2 2.75Å; E197-R338 PolarHBondContact OE1-NH2 2.78Å; E197-R338 IonicContact OE2-NH1 3.45Å; E197-R338 PolarHBondContact OE2-NH1 2.96Å; E197-R549 IonicContact OE1-CZ 3.7Å; E197-R549 IonicContact OE1-NH1 3.65Å; E197-R549 PolarHBondContact OE1-NH1 3.4Å; E197-R549 IonicContact OE2-NH1 3.65Å
198	G	84.5	Confident	84.8	Confident	53 Å²	53	33.8 Å²	33.8	55%	0.546	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	21.4	175.7	0	0	0	0	0	115.1	I194 K195 L196	I194-G198 PolarHBondContact O-N 3.34Å; I194-G198 VanDerWaalsContact O-N 3.1Å; K195-G198 PolarHBondContact O-N 2.8Å; L196-G198 VanDerWaalsContact C-N 3.28Å
199	G	81.9	Confident	83.8	Confident	10 Å²	10	41.1 Å²	41.1	10%	0.103	22%	0.219	C	C	.	.			trans	-66	155.1	175.6	0	0	0	0	0	113.7	I194 D203	I194-G199 PolarHBondContact O-N 3.45Å; G199-D203 WeakPolarHBondContact CA-OD2 3.42Å
200	T	84.7	Confident	82.5	Confident	73 Å²	73	43.8 Å²	43.8	45%	0.448	24%	0.237	S	C	.	.			trans	-85.1	175.7	179.8	65	0	0	0	0	111.3	E202 D203	T200-E202 PolarHBondContact O-N 2.76Å; T200-E202 PolarHBondContact OG1-N 3.3Å; T200-D203 PolarHBondContact N-OD2 3.43Å; T200-D203 WeakPolarHBondContact O-CB 3.35Å; T200-D203 PolarHBondContact O-N 3.13Å; T200-D203 PolarHBondContact OG1-OD2 3.24Å
201	D	81.5	Confident	80.8	Confident	75 Å²	75	52.1 Å²	52.1	40%	0.401	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-28	174.7	-74.6	3.1	0	0	0	112.4	K169 K195 D203 L204 E205	K169-D201 IonicContact NZ-OD1 3.72Å; K169-D201 PolarHBondContact NZ-OD1 3.33Å; K169-D201 IonicContact NZ-OD2 2.82Å; K169-D201 PolarHBondContact NZ-OD2 3.31Å; K195-D201 WeakPolarHBondContact CE-OD1 3.36Å; K195-D201 IonicContact NZ-OD1 2.94Å; K195-D201 PolarHBondContact NZ-OD1 2.86Å; D201-D203 VanDerWaalsContact C-N 3.28Å; D201-D203 PolarHBondContact O-N 3.45Å; D201-L204 WeakPolarHBondContact O-CB 3.47Å; D201-L204 PolarHBondContact O-N 2.87Å; D201-L204 VanDerWaalsContact O-N 3.17Å; D201-E205 PolarHBondContact O-N 3.32Å; D201-E205 VanDerWaalsContact O-N 3.1Å
202	E	80.4	Confident	79.3	Confident	147 Å²	147	55.5 Å²	55.5	69%	0.687	29%	0.289	S	S	*	.	H	α-helix	trans	-62.4	-37.3	174.3	-59.9	177.4	174.9	0	0	111.5	T200 L204 E205 A206	T200-E202 PolarHBondContact O-N 2.76Å; T200-E202 PolarHBondContact OG1-N 3.3Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 2.87Å; E202-E205 PolarHBondContact O-N 2.63Å; E202-A206 WeakPolarHBondContact O-CB 3.46Å; E202-A206 PolarHBondContact O-N 3.3Å; E202-A206 VanDerWaalsContact O-N 3.08Å
203	D	81	Confident	77	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.064	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-32.8	177.3	-60.4	-34.9	0	0	0	111.8	I194 G199 T200 D201 I207 S303	I194-D203 HydrophobicContact CD1-CB 4.2Å; I194-D203 HydrophobicContact CG2-CB 3.73Å; G199-D203 WeakPolarHBondContact CA-OD2 3.42Å; T200-D203 PolarHBondContact N-OD2 3.43Å; T200-D203 WeakPolarHBondContact O-CB 3.35Å; T200-D203 PolarHBondContact O-N 3.13Å; T200-D203 PolarHBondContact OG1-OD2 3.24Å; D201-D203 VanDerWaalsContact C-N 3.28Å; D201-D203 PolarHBondContact O-N 3.45Å; D203-I207 PolarHBondContact O-N 2.93Å; D203-S303 WeakPolarHBondContact OD1-CB 3.32Å; D203-S303 PolarHBondContact OD1-OG 3.5Å
204	L	81.5	Confident	74.5	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-70.6	-43.4	175.6	-66.6	-175.5	0	0	0	112	L166 A191 I194 K195 D201 E202 A206 I207 E208	L166-L204 HydrophobicContact CD2-CD1 4.2Å; A191-L204 HydrophobicContact CB-CD2 3.67Å; I194-L204 HydrophobicContact CB-CD2 4.25Å; I194-L204 HydrophobicContact CG2-CD2 4.11Å; K195-L204 HydrophobicContact CD-CD1 4.33Å; K195-L204 HydrophobicContact CG-CD1 4.19Å; K195-L204 HydrophobicContact CG-CD2 4.25Å; D201-L204 WeakPolarHBondContact O-CB 3.47Å; D201-L204 PolarHBondContact O-N 2.87Å; D201-L204 VanDerWaalsContact O-N 3.17Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 2.87Å; L204-A206 PolarHBondContact O-N 3.29Å; L204-I207 PolarHBondContact O-N 2.89Å; L204-E208 PolarHBondContact O-N 3.36Å
205	E	79.3	Confident	71.9	Confident	103 Å²	103	77.6 Å²	77.6	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-34.4	175.8	-70.8	-174	-168.9	0	0	111.8	D201 E202 I207 E208 K209	D201-E205 PolarHBondContact O-N 3.32Å; D201-E205 VanDerWaalsContact O-N 3.1Å; E202-E205 PolarHBondContact O-N 2.63Å; E205-I207 VanDerWaalsContact C-N 3.35Å; E205-E208 PolarHBondContact O-N 3.05Å; E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.27Å; E205-K209 IonicContact OE2-NZ 2.97Å
206	A	77.2	Confident	69.2	Low	18 Å²	18	82.1 Å²	82.1	15%	0.149	43%	0.425	C	S	.	.	H	α-helix	trans	-67.6	-36	179.8	0	0	0	0	0	111.8	E202 L204 K209 C210 T304	E202-A206 WeakPolarHBondContact O-CB 3.46Å; E202-A206 PolarHBondContact O-N 3.3Å; E202-A206 VanDerWaalsContact O-N 3.08Å; L204-A206 PolarHBondContact O-N 3.29Å; A206-K209 PolarHBondContact O-N 3.19Å; A206-C210 PolarHBondContact O-N 3.45Å; A206-C210 VanDerWaalsContact O-N 3.1Å; A206-C210 PolarHBondContact O-SG 3.26Å; A206-T304 HydrophobicContact CB-CG2 3.46Å; A206-T304 VanDerWaalsContact CB-CG2 3.46Å
207	I	74.8	Confident	66.8	Low	7 Å²	7	87.7 Å²	87.7	4%	0.036	45%	0.451	C	S	.	.	H	α-helix	trans	-65.5	-40.6	171	-70.6	-172.4	0	0	0	111.5	K187 D190 I194 D203 L204 E205 K209 C210	K187-I207 HydrophobicContact CG-CG2 4.33Å; D190-I207 HydrophobicContact CB-CD1 3.77Å; I194-I207 HydrophobicContact CD1-CD1 3.23Å; I194-I207 HydrophobicContact CD1-CG1 3.84Å; I194-I207 HydrophobicContact CG1-CD1 3.86Å; D203-I207 PolarHBondContact O-N 2.93Å; L204-I207 PolarHBondContact O-N 2.89Å; E205-I207 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 2.65Å; I207-C210 PolarHBondContact O-N 2.6Å
208	E	74.2	Confident	64.5	Low	103 Å²	103	88.1 Å²	88.1	48%	0.481	46%	0.464	S	S	.	.	H	α-helix	trans	-62.1	-32.8	-178.9	-167.9	169	-157.2	0	0	111.7	K174 L204 E205	K174-E208 IonicContact NZ-OE1 4Å; L204-E208 PolarHBondContact O-N 3.36Å; E205-E208 PolarHBondContact O-N 3.05Å
209	K	70.4	Confident	62.2	Low	157 Å²	157	88.2 Å²	88.2	68%	0.683	46%	0.46	S	S	*	.	H	α-helix	trans	-81.8	-17.8	175.1	-66.1	168.8	-171.9	159.9	0	113.8	E205 A206 I207 E211	E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.27Å; E205-K209 IonicContact OE2-NZ 2.97Å; A206-K209 PolarHBondContact O-N 3.19Å; I207-K209 PolarHBondContact O-N 2.65Å; K209-E211 PolarHBondContact O-N 3.2Å
210	C	63.2	Low	60.2	Low	62 Å²	62	89.7 Å²	89.7	42%	0.419	47%	0.468	S	S	.	.			trans	-79.3	115.5	175.5	-76.7	0	0	0	0	110	A206 I207	A206-C210 PolarHBondContact O-N 3.45Å; A206-C210 VanDerWaalsContact O-N 3.1Å; A206-C210 PolarHBondContact O-SG 3.26Å; I207-C210 PolarHBondContact O-N 2.6Å
211	E	55.3	Low	58.1	Low	178 Å²	178	92.9 Å²	92.9	83%	0.832	48%	0.478	S	S	*	.			trans	-77.3	132.8	163.5	-67	-178.8	172.7	0	0	108.6	K209 E213	K209-E211 PolarHBondContact O-N 3.2Å; E211-E213 PolarHBondContact O-N 3.1Å
212	Y	56.6	Low	56.2	Low	72 Å²	72	96.5 Å²	96.5	28%	0.282	49%	0.49	S	S	.	.			trans	-78	108.6	170.8	-68	-98.4	0	0	0	106.3	I186 K187 D190 E214	I186-Y212 HydrophobicContact CG2-CD1 4.46Å; I186-Y212 HydrophobicContact CG2-CE1 3.74Å; I186-Y212 HydrophobicContact CG2-CE2 4.36Å; K187-Y212 HydrophobicContact CD-CE2 4.43Å; K187-Y212 HydrophobicContact CG-CD2 4.48Å; K187-Y212 HydrophobicContact CG-CE2 3.61Å; D190-Y212 PolarHBondContact OD2-OH 3.23Å; Y212-E214 PolarHBondContact O-N 3.28Å
213	E	44.7	Very low	54.3	Low	178 Å²	178	92.4 Å²	92.4	83%	0.832	48%	0.481	S	S	*	.			trans	-61.7	122.5	163.9	-68	-172.9	167.9	0	0	107.7	E211 V215	E211-E213 PolarHBondContact O-N 3.1Å; E213-V215 PolarHBondContact O-N 2.91Å
214	E	37.7	Very low	52.5	Low	172 Å²	172	94 Å²	94	80%	0.804	49%	0.493	S	S	*	.			trans	-55.9	106.8	172.2	-73.9	-172.7	147.1	0	0	108.4	Y212 D216	Y212-E214 PolarHBondContact O-N 3.28Å; E214-D216 PolarHBondContact O-N 3.25Å
215	V	36	Very low	50.7	Low	122 Å²	122	100.8 Å²	100.8	74%	0.739	52%	0.522	S	S	*	.			trans	-74.3	99.5	172	-166.9	0	0	0	0	106.4	E213 E217	E213-V215 PolarHBondContact O-N 2.91Å; V215-E217 PolarHBondContact O-N 2.82Å; V215-E217 VanDerWaalsContact O-N 3.16Å
216	D	31.1	Very low	49	Very low	121 Å²	121	100.8 Å²	100.8	65%	0.647	53%	0.526	S	S	*	.			trans	-38.2	120.3	175.4	-76.8	-39.4	0	0	0	111.1	E214 A218 A219	E214-D216 PolarHBondContact O-N 3.25Å; D216-A218 PolarHBondContact O-N 3.15Å; D216-A219 PolarHBondContact O-N 3.25Å
217	E	40.4	Very low	47.5	Very low	119 Å²	119	103 Å²	103	56%	0.556	54%	0.54	S	S	*	.	H	α-helix	trans	-52.2	-26.4	-178.7	-73.1	-165.4	127.5	0	0	112.4	V215 A219 S220 E221 R391	V215-E217 PolarHBondContact O-N 2.82Å; V215-E217 VanDerWaalsContact O-N 3.16Å; E217-A219 PolarHBondContact O-N 3.01Å; E217-S220 PolarHBondContact O-N 2.92Å; E217-S220 PolarHBondContact O-OG 3.39Å; E217-E221 PolarHBondContact O-N 3.32Å; E217-R391 IonicContact OE1-CZ 3.42Å; E217-R391 VanDerWaalsContact OE1-CZ 3.31Å; E217-R391 IonicContact OE1-NE 2.88Å; E217-R391 PolarHBondContact OE1-NE 2.95Å; E217-R391 VanDerWaalsContact OE1-NE 3.11Å; E217-R391 IonicContact OE1-NH2 3.59Å; E217-R391 PolarHBondContact OE1-NH2 2.49Å; E217-R391 IonicContact OE2-NH2 3.31Å
218	A	38.3	Very low	46	Very low	64 Å²	64	108.2 Å²	108.2	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-66.5	-30	176.8	0	0	0	0	0	114.5	D216 K222	D216-A218 PolarHBondContact O-N 3.15Å; A218-K222 PolarHBondContact O-N 3.06Å; A218-K222 VanDerWaalsContact O-N 3.14Å
219	A	37	Very low	44.7	Very low	55 Å²	55	108 Å²	108	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-74.3	-35.6	178	0	0	0	0	0	111.4	D216 E217 K222 A223	D216-A219 PolarHBondContact O-N 3.25Å; E217-A219 PolarHBondContact O-N 3.01Å; A219-K222 PolarHBondContact O-N 3.26Å; A219-A223 PolarHBondContact O-N 3.21Å; A219-A223 VanDerWaalsContact O-N 3.12Å
220	S	39.1	Very low	43.5	Very low	40 Å²	40	107.8 Å²	107.8	28%	0.28	57%	0.572	S	S	.	*	H	α-helix	trans	-69.1	-36.5	176.4	102.3	0	0	0	0	111.8	E217 C224	E217-S220 PolarHBondContact O-N 2.92Å; E217-S220 PolarHBondContact O-OG 3.39Å; S220-C224 PolarHBondContact O-N 3.09Å; S220-C224 PolarHBondContact O-SG 3.19Å
221	E	41.2	Very low	42.6	Very low	140 Å²	140	114.2 Å²	114.2	65%	0.654	59%	0.587	S	S	*	*	H	α-helix	trans	-72.1	-35.3	176.1	-72.6	-166.9	159.5	0	0	112.9	E217 C224 K225	E217-E221 PolarHBondContact O-N 3.32Å; E221-C224 WeakPolarHBondContact O-CB 3.49Å; E221-C224 PolarHBondContact O-N 2.78Å; E221-K225 PolarHBondContact O-N 3.06Å
222	K	42.1	Very low	42	Very low	151 Å²	151	109.9 Å²	109.9	66%	0.657	57%	0.573	S	S	*	*	H	α-helix	trans	-66.3	-41.7	173.7	-86	-178.2	175.3	175.4	0	112.8	A218 A219 C224 K225 D226	A218-K222 PolarHBondContact O-N 3.06Å; A218-K222 VanDerWaalsContact O-N 3.14Å; A219-K222 PolarHBondContact O-N 3.26Å; K222-C224 PolarHBondContact O-N 3.27Å; K222-K225 PolarHBondContact O-N 2.99Å; K222-D226 PolarHBondContact O-N 2.83Å; K222-D226 VanDerWaalsContact O-N 3.13Å
223	A	38.5	Very low	41.3	Very low	61 Å²	61	108.9 Å²	108.9	50%	0.504	58%	0.579	S	S	.	*	H	α-helix	trans	-61.9	-24.5	175.2	0	0	0	0	0	113.3	A219 S227	A219-A223 PolarHBondContact O-N 3.21Å; A219-A223 VanDerWaalsContact O-N 3.12Å; A223-S227 PolarHBondContact O-OG 3.01Å
224	C	44.1	Very low	41.3	Very low	45 Å²	45	104 Å²	104	30%	0.304	57%	0.569	S	S	.	*	H	α-helix	trans	-72.9	-32.1	173.6	-58.9	0	0	0	0	113	S220 E221 K222 S227 R387	S220-C224 PolarHBondContact O-N 3.09Å; S220-C224 PolarHBondContact O-SG 3.19Å; E221-C224 WeakPolarHBondContact O-CB 3.49Å; E221-C224 PolarHBondContact O-N 2.78Å; K222-C224 PolarHBondContact O-N 3.27Å; C224-S227 PolarHBondContact O-OG 3.31Å; C224-R387 PolarHBondContact SG-NH1 3.23Å
225	K	43.6	Very low	41.5	Very low	148 Å²	148	102.8 Å²	102.8	64%	0.643	57%	0.568	S	S	*	*	H	α-helix	trans	-78.8	-43	178	-90	177.2	173.7	170.7	0	112	E221 K222 S227 D228 D229	E221-K225 PolarHBondContact O-N 3.06Å; K222-K225 PolarHBondContact O-N 2.99Å; K225-S227 VanDerWaalsContact C-N 3.27Å; K225-S227 PolarHBondContact O-N 3.16Å; K225-D228 PolarHBondContact O-N 2.67Å; K225-D229 PolarHBondContact O-N 3.18Å; K225-D229 VanDerWaalsContact O-N 3.12Å
226	D	44.5	Very low	41.9	Very low	104 Å²	104	105.4 Å²	105.4	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-65.7	-29.3	-175.8	-69.2	-25.2	0	0	0	113	K222 E230	K222-D226 PolarHBondContact O-N 2.83Å; K222-D226 VanDerWaalsContact O-N 3.13Å; D226-E230 PolarHBondContact O-N 3.15Å; D226-E230 VanDerWaalsContact O-N 3.15Å
227	S	46	Very low	42.4	Very low	65 Å²	65	106.8 Å²	106.8	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-78.2	-22.5	177.7	59.4	0	0	0	0	114.9	A223 C224 K225	A223-S227 PolarHBondContact O-OG 3.01Å; C224-S227 PolarHBondContact O-OG 3.31Å; K225-S227 VanDerWaalsContact C-N 3.27Å; K225-S227 PolarHBondContact O-N 3.16Å
228	D	42.5	Very low	42.3	Very low	115 Å²	115	105.2 Å²	105.2	62%	0.615	58%	0.583	S	S	*	*	H	α-helix	trans	-83.8	-30.7	172.4	-77.7	-26.8	0	0	0	111.1	K225	K225-D228 PolarHBondContact O-N 2.67Å
229	D	46.5	Very low	42.1	Very low	99 Å²	99	108.5 Å²	108.5	53%	0.529	60%	0.597	S	S	.	*	H	α-helix	trans	-76.7	-35.4	178.6	-72.3	-33	0	0	0	112.9	K225 R231 T232 A233	K225-D229 PolarHBondContact O-N 3.18Å; K225-D229 VanDerWaalsContact O-N 3.12Å; D229-R231 VanDerWaalsContact C-N 3.31Å; D229-R231 PolarHBondContact O-N 3.37Å; D229-T232 PolarHBondContact O-N 3.09Å; D229-T232 PolarHBondContact O-OG1 3.18Å; D229-A233 PolarHBondContact O-N 2.89Å
230	E	46.3	Very low	42.1	Very low	153 Å²	153	112 Å²	112	72%	0.715	62%	0.618	S	S	*	*	H	α-helix	trans	-65.3	-29.6	175.7	-94.1	-169.7	153.9	0	0	113.7	D226 T232 A233 A234	D226-E230 PolarHBondContact O-N 3.15Å; D226-E230 VanDerWaalsContact O-N 3.15Å; E230-T232 VanDerWaalsContact C-N 3.27Å; E230-T232 PolarHBondContact O-N 2.99Å; E230-A233 PolarHBondContact O-N 3.31Å; E230-A234 PolarHBondContact O-N 3.07Å
231	R	44.2	Very low	42	Very low	196 Å²	196	114.2 Å²	114.2	74%	0.74	65%	0.647	S	S	*	*	H	α-helix	trans	-72.3	-19.3	176.6	-73.9	-177.8	176.9	-159.1	-2.4	113.4	D229	D229-R231 VanDerWaalsContact C-N 3.31Å; D229-R231 PolarHBondContact O-N 3.37Å
232	T	42.1	Very low	41.8	Very low	88 Å²	88	114.7 Å²	114.7	54%	0.54	65%	0.654	S	S	.	*	H	α-helix	trans	-96	-13.1	175.8	62.4	0	0	0	0	113.5	D229 E230	D229-T232 PolarHBondContact O-N 3.09Å; D229-T232 PolarHBondContact O-OG1 3.18Å; E230-T232 VanDerWaalsContact C-N 3.27Å; E230-T232 PolarHBondContact O-N 2.99Å
233	A	42.7	Very low	41.7	Very low	50 Å²	50	115.1 Å²	115.1	41%	0.413	66%	0.659	S	S	.	*	H	α-helix	trans	-87	-31.1	174.3	0	0	0	0	0	113.1	D229 E230 D235 K236	D229-A233 PolarHBondContact O-N 2.89Å; E230-A233 PolarHBondContact O-N 3.31Å; A233-D235 VanDerWaalsContact C-N 3.27Å; A233-D235 PolarHBondContact O-N 2.93Å; A233-K236 PolarHBondContact O-N 3.35Å
234	A	43.4	Very low	41.8	Very low	75 Å²	75	120.4 Å²	120.4	62%	0.62	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-67	-24.3	177.9	0	0	0	0	0	113.8	E230 K236	E230-A234 PolarHBondContact O-N 3.07Å; A234-K236 VanDerWaalsContact C-N 3.33Å; A234-K236 PolarHBondContact O-N 2.92Å
235	D	41.9	Very low	41.4	Very low	147 Å²	147	121.9 Å²	121.9	79%	0.786	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-86.3	5.2	176.8	-94.7	-14.8	0	0	0	114.2	A233	A233-D235 VanDerWaalsContact C-N 3.27Å; A233-D235 PolarHBondContact O-N 2.93Å
236	K	45.2	Very low	41.3	Very low	177 Å²	177	120.9 Å²	120.9	77%	0.77	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-120.6	5.4	-179.7	-67.6	-176.7	-176.7	171.5	0	115.1	A233 A234	A233-K236 PolarHBondContact O-N 3.35Å; A234-K236 VanDerWaalsContact C-N 3.33Å; A234-K236 PolarHBondContact O-N 2.92Å
237	I	40.7	Very low	41	Very low	150 Å²	150	125.9 Å²	125.9	77%	0.769	73%	0.725	S	S	*	*	S	Bend	trans	-113.6	37.7	179.8	-51.2	171.3	0	0	0	110.6
238	A	38.5	Very low	40.6	Very low	87 Å²	87	133.6 Å²	133.6	72%	0.719	75%	0.745	S	S	*	*	S	Bend	trans	-123.8	20.5	177	0	0	0	0	0	113.1
239	T	33.3	Very low	40.5	Very low	133 Å²	133	135.2 Å²	135.2	82%	0.816	75%	0.748	S	S	*	*	S	Bend	trans	-158.1	70.1	-176.1	-20	0	0	0	0	113.8
240	S	38	Very low	40.1	Very low	128 Å²	128	136.5 Å²	136.5	90%	0.895	76%	0.755	S	S	*	*			trans	178	123.7	155	52.7	0	0	0	0	112.1
241	G	36.1	Very low	39.8	Very low	86 Å²	86	138.5 Å²	138.5	89%	0.887	76%	0.762	S	S	*	*			trans	151.1	71.6	161.7	0	0	0	0	0	114.7
242	D	38.6	Very low	39.5	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	76%	0.763	S	S	*	*			trans	-89.3	157.2	176.7	-146.9	-9.7	0	0	0	112.1
243	E	38.9	Very low	39.3	Very low	160 Å²	160	137.8 Å²	137.8	75%	0.748	77%	0.771	S	S	*	*			trans	72.1	117.1	161.1	-55.2	-160.9	141.4	0	0	122.8
244	L	40.9	Very low	38.9	Very low	172 Å²	172	141.5 Å²	141.5	90%	0.901	78%	0.784	S	S	*	*				172.7	118.1	105	-84	167.5	0	0	0	111.8
245	G	35.8	Very low	38.8	Very low	76 Å²	76	146.1 Å²	146.1	78%	0.784	80%	0.798	S	S	*	*			trans	-91.2	-142	-177.6	0	0	0	0	0	115.7
246	P	41.8	Very low	38.5	Very low	126 Å²	126	147.5 Å²	147.5	82%	0.818	80%	0.8	S	S	*	*			cis	-136.5	168.8	-38	37.9	-21.8	0	0	0	113.6
247	K	37.7	Very low	38.2	Very low	209 Å²	209	147.5 Å²	147.5	91%	0.909	81%	0.806	S	S	*	*			trans	-170.2	113	150.5	-106.4	166.1	-169.4	-179.3	0	115.4
248	R	38.4	Very low	38	Very low	227 Å²	227	150.6 Å²	150.6	86%	0.857	81%	0.81	S	S	*	*			trans	-3.2	147.5	151.1	-50.7	177.8	178.9	-174.2	-3	118.8
249	H	40	Very low	37.7	Very low	150 Å²	150	150.6 Å²	150.6	69%	0.694	81%	0.81	S	S	*	*			cis	-164.6	130	48.4	-111.3	-79	0	0	0	109.7
250	D	38.4	Very low	37.9	Very low	126 Å²	126	148.6 Å²	148.6	67%	0.674	80%	0.802	S	S	*	*				72.2	108	101.4	-86.7	-13.8	0	0	0	119.2
251	K	39.7	Very low	37.7	Very low	195 Å²	195	149.9 Å²	149.9	85%	0.848	80%	0.798	S	S	*	*				166.5	140.4	97.5	-100.8	169.1	-175.2	-177.3	0	115.1
252	H	36.9	Very low	37.7	Very low	168 Å²	168	149.6 Å²	149.6	78%	0.778	80%	0.795	S	S	*	*			trans	-40.3	164	170	-78.2	-84.4	0	0	0	117.2
253	S	38.4	Very low	37.4	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	80%	0.799	S	S	*	*			cis	-163.6	135.8	39.2	47.2	0	0	0	0	111.8
254	D	34.4	Very low	37.3	Very low	129 Å²	129	151.8 Å²	151.8	69%	0.69	81%	0.805	S	S	*	*				47.6	118.7	107.9	-59.5	-28.9	0	0	0	118.1
255	D	40.9	Very low	37	Very low	171 Å²	171	148.6 Å²	148.6	91%	0.914	80%	0.797	S	S	*	*				-179.1	130.4	112	-88.6	-25.6	0	0	0	112.5
256	E	35.4	Very low	36.7	Very low	177 Å²	177	148.7 Å²	148.7	83%	0.827	80%	0.798	S	S	*	*			trans	-73.8	162.3	173.9	-58.1	-178.1	147.4	0	0	112.1
257	I	38.9	Very low	36.3	Very low	176 Å²	176	154.3 Å²	154.3	90%	0.903	80%	0.803	S	S	*	*			trans	-171.2	138.1	135.1	-90.9	147	0	0	0	110.9
258	Y	36	Very low	36	Very low	216 Å²	216	152.7 Å²	152.7	85%	0.847	80%	0.799	S	S	*	*			trans	-79.7	154	-174.5	-111.4	-110.5	0	0	0	115.6
259	A	33.6	Very low	35.9	Very low	86 Å²	86	147 Å²	147	71%	0.711	79%	0.794	S	S	*	*			trans	50.2	134.6	140.1	0	0	0	0	0	122.9
260	S	37.5	Very low	35.3	Very low	92 Å²	92	146.3 Å²	146.3	64%	0.643	80%	0.8	S	S	*	*				151.2	115.1	114.1	175.7	0	0	0	0	112.7
261	D	33.3	Very low	35.1	Very low	155 Å²	155	150 Å²	150	83%	0.829	81%	0.81	S	S	*	*				48.8	132.2	128.4	-21.1	-30.1	0	0	0	121.2
262	G	35.2	Very low	34.5	Very low	79 Å²	79	145.7 Å²	145.7	81%	0.814	80%	0.804	S	S	*	*			trans	171.2	95.1	162.4	0	0	0	0	0	114.6
263	E	32.7	Very low	34.3	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	81%	0.81	S	S	*	*			trans	-55.5	154.5	165.2	-61	178.8	133.3	0	0	112.3
264	L	37.5	Very low	33.9	Very low	169 Å²	169	146.8 Å²	146.8	89%	0.885	81%	0.806	S	S	*	*				-175.4	128.6	127.4	-96.3	157.9	0	0	0	113.5
265	S	33.9	Very low	33.6	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	81%	0.808	S	S	*	*			trans	-23.3	137.1	165.7	61.2	0	0	0	0	120.9
266	G	30	Very low	33.3	Very low	78 Å²	78	147.8 Å²	147.8	80%	0.804	81%	0.805	S	S	*	*				71.9	119.5	109.5	0	0	0	0	0	119.6
267	R	33.4	Very low	33.1	Very low	244 Å²	244	146.6 Å²	146.6	92%	0.921	80%	0.797	S	S	*	*				173.8	139.7	113.3	-170.6	162.9	179.3	157.4	-1.3	112.6
268	E	31.3	Very low	32.7	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	79%	0.794	S	S	*	*			trans	-60.7	149.2	177.6	-56.3	164.8	137.6	0	0	114.5
269	S	35.9	Very low	32.4	Very low	108 Å²	108	144.4 Å²	144.4	76%	0.755	79%	0.789	S	S	*	*				171.8	118	112.3	62.5	0	0	0	0	113.2
270	T	29	Very low	32.6	Very low	134 Å²	134	147.8 Å²	147.8	82%	0.822	79%	0.794	S	S	*	*			trans	9.9	124.7	145.3	59.8	0	0	0	0	120.7
271	K	33.3	Very low	32.4	Very low	205 Å²	205	150.7 Å²	150.7	89%	0.891	80%	0.802	S	S	*	*				-165.2	129	127.3	-116.4	171.4	-176.9	173.8	0	112.6
272	S	27.6	Very low	32.3	Very low	103 Å²	103	150 Å²	150	72%	0.72	80%	0.799	S	S	*	*			trans	-47.1	143.7	166.9	50.6	0	0	0	0	114.5
273	F	31.6	Very low	32.2	Very low	205 Å²	205	153.1 Å²	153.1	90%	0.899	80%	0.797	S	S	*	*			trans	-162.7	158	134.2	-129.8	-101.8	0	0	0	112.1
274	S	30.1	Very low	32.4	Very low	87 Å²	87	152 Å²	152	61%	0.608	80%	0.797	S	S	*	*			trans	-82.5	154.4	-154.7	48.6	0	0	0	0	117.6
275	H	28.8	Very low	32.4	Very low	158 Å²	158	150.6 Å²	150.6	73%	0.731	79%	0.79	S	S	*	*			trans	32.1	111.6	134.2	-149.8	29.2	0	0	0	118.4
276	D	33.6	Very low	32.5	Very low	162 Å²	162	151.8 Å²	151.8	87%	0.866	79%	0.786	S	S	*	*			trans	-138.8	128.1	149.1	-103.1	-29.6	0	0	0	111.1
277	K	31.6	Very low	32.7	Very low	152 Å²	152	158.4 Å²	158.4	66%	0.661	79%	0.793	S	S	*	*			trans	-77.9	140.3	173	-74.9	175.5	171	-176.2	0	108.8
278	F	31.7	Very low	32.6	Very low	188 Å²	188	152.7 Å²	152.7	83%	0.825	79%	0.785	S	S	*	*			trans	-122.7	103.4	160.4	-112.9	-92.7	0	0	0	109.2	L280	F278-L280 HydrophobicContact CD1-CG 4.36Å
279	E	30	Very low	33	Very low	158 Å²	158	149.3 Å²	149.3	74%	0.738	79%	0.787	S	S	*	*			trans	-82.3	135.4	158.2	-70.7	176.3	176.6	0	0	107.6
280	L	37.4	Very low	32.7	Very low	158 Å²	158	153.5 Å²	153.5	83%	0.827	79%	0.791	S	S	*	*			trans	-126.8	114.7	167.1	-87.2	166	0	0	0	108.5	F278	F278-L280 HydrophobicContact CD1-CG 4.36Å
281	N	32.8	Very low	32.9	Very low	153 Å²	153	152.6 Å²	152.6	82%	0.818	79%	0.791	S	S	*	*			trans	-82.4	155	174.1	-88	-25.2	0	0	0	111.8
282	D	31.2	Very low	32.8	Very low	140 Å²	140	148.3 Å²	148.3	75%	0.749	78%	0.784	S	S	*	*			trans	-58.9	163.5	179.6	-70.3	-51.6	0	0	0	116.4
283	N	32	Very low	32.8	Very low	145 Å²	145	153.6 Å²	153.6	78%	0.775	79%	0.794	S	S	*	*			trans	104.6	97.7	159	-52.8	-56.4	0	0	0	115.3
284	D	38.4	Very low	32.9	Very low	165 Å²	165	150.1 Å²	150.1	88%	0.882	79%	0.789	S	S	*	*				-168.5	150.5	120.5	-96.5	-28	0	0	0	114.8
285	L	37.9	Very low	32.9	Very low	140 Å²	140	153.5 Å²	153.5	73%	0.733	80%	0.8	S	S	*	*			trans	-73.3	142.5	-157.1	-94.3	65.5	0	0	0	119
286	I	35.5	Very low	33	Very low	130 Å²	130	153.4 Å²	153.4	67%	0.667	81%	0.805	S	S	*	*				52.1	119.3	123.1	-53.6	172.8	0	0	0	120.3	V288	I286-V288 HydrophobicContact CG2-CG2 4.25Å
287	K	34.5	Very low	33	Very low	217 Å²	217	153.5 Å²	153.5	94%	0.943	81%	0.805	S	S	*	*				-142.3	119.3	127.5	-83.3	-169.1	-178.1	170.2	0	111.7
288	V	31.5	Very low	33.1	Very low	124 Å²	124	152.1 Å²	152.1	75%	0.752	81%	0.809	S	S	*	*			trans	-90	135.1	178.9	169.2	0	0	0	0	110.6	I286	I286-V288 HydrophobicContact CG2-CG2 4.25Å
289	A	38.1	Very low	33.2	Very low	104 Å²	104	150.7 Å²	150.7	86%	0.86	81%	0.809	S	S	*	*			trans	-132.4	129.7	158.8	0	0	0	0	0	109.4
290	K	30.1	Very low	33.5	Very low	196 Å²	196	147.9 Å²	147.9	85%	0.852	80%	0.802	S	S	*	*			trans	-83.2	141.1	-171	-82.9	172.7	170.6	170.9	0	113.5
291	S	32.4	Very low	33.6	Very low	115 Å²	115	144.9 Å²	144.9	80%	0.804	79%	0.787	S	S	*	*				146.6	156.6	125.8	57.6	0	0	0	0	112.8
292	P	32.2	Very low	34.1	Very low	115 Å²	115	146 Å²	146	75%	0.747	79%	0.785	S	S	*	*			cis	-124.9	157.5	-28.3	34	-16	0	0	0	114.1
293	K	27.7	Very low	34.9	Very low	214 Å²	214	141.5 Å²	141.5	93%	0.93	76%	0.764	S	S	*	*			trans	-25.1	118.2	174	-59.9	171	179.5	-179.2	0	117
294	V	33.9	Very low	36	Very low	131 Å²	131	135.9 Å²	135.9	79%	0.794	74%	0.735	S	S	*	*			trans	-132.3	131.4	157.5	-179.9	0	0	0	0	107.1	D296	V294-D296 PolarHBondContact O-N 3.21Å
295	N	30.8	Very low	37.5	Very low	158 Å²	158	129.2 Å²	129.2	85%	0.845	70%	0.701	S	S	*	*			trans	-36.5	112.4	-169.5	-59.7	-25.6	0	0	0	115.9	D297	N295-D297 PolarHBondContact O-N 2.91Å
296	D	30	Very low	39.6	Very low	157 Å²	157	125.6 Å²	125.6	84%	0.84	68%	0.683	S	S	*	*			trans	-76	95.6	163.1	-77	-44.5	0	0	0	108.7	V294	V294-D296 PolarHBondContact O-N 3.21Å
297	D	32.8	Very low	41.9	Very low	163 Å²	163	120.7 Å²	120.7	87%	0.872	66%	0.657	S	S	*	*			trans	-158.4	18.9	163.3	-90.4	-30.4	0	0	0	113.9	N295	N295-D297 PolarHBondContact O-N 2.91Å
298	V	34.6	Very low	44.4	Very low	123 Å²	123	116.7 Å²	116.7	75%	0.745	64%	0.636	S	S	*	*			trans	-130.7	75.7	172.2	-166.5	0	0	0	0	110.1	V300	V298-V300 HydrophobicContact CG1-CG2 3.65Å; V298-V300 PolarHBondContact O-N 2.94Å
299	I	33.2	Very low	47.2	Very low	158 Å²	158	111.1 Å²	111.1	81%	0.81	60%	0.602	S	S	*	*			trans	-70.9	92.5	156.1	-60.6	173.9	0	0	0	105.3	N301	I299-N301 PolarHBondContact O-N 3.3Å
300	V	37.5	Very low	49.8	Very low	99 Å²	99	106.6 Å²	106.6	60%	0.6	56%	0.564	S	S	*	*			trans	-59.6	104.7	166.8	-179	0	0	0	0	106	V298 K302	V298-V300 HydrophobicContact CG1-CG2 3.65Å; V298-V300 PolarHBondContact O-N 2.94Å; V300-K302 PolarHBondContact O-N 3.12Å
301	N	37.9	Very low	52.8	Low	96 Å²	96	97.4 Å²	97.4	51%	0.513	53%	0.525	S	S	.	.			trans	-49.1	116.1	174.9	-81	-19.3	0	0	0	108.7	I299 S303 T304	I299-N301 PolarHBondContact O-N 3.3Å; N301-S303 PolarHBondContact O-N 3.33Å; N301-T304 HydrophobicContact CB-CG2 3.72Å; N301-T304 PolarHBondContact O-N 3.33Å; N301-T304 VanDerWaalsContact O-N 3.08Å; N301-T304 PolarHBondContact O-OG1 2.84Å
302	K	45	Very low	55.8	Low	176 Å²	176	92 Å²	92	77%	0.765	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-13.8	178.8	-94.2	176.6	173.6	174.9	0	114	V300	V300-K302 PolarHBondContact O-N 3.12Å
303	S	47.7	Very low	58.8	Low	46 Å²	46	88.1 Å²	88.1	32%	0.322	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-22.6	-178.8	111.6	0	0	0	0	114.1	D203 N301 S305	D203-S303 WeakPolarHBondContact OD1-CB 3.32Å; D203-S303 PolarHBondContact OD1-OG 3.5Å; N301-S303 PolarHBondContact O-N 3.33Å; S303-S305 PolarHBondContact O-N 3.39Å
304	T	54.1	Low	61.9	Low	26 Å²	26	78 Å²	78	16%	0.16	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.6	-169	53.1	0	0	0	0	115.8	A206 N301 H307	A206-T304 HydrophobicContact CB-CG2 3.46Å; A206-T304 VanDerWaalsContact CB-CG2 3.46Å; N301-T304 HydrophobicContact CB-CG2 3.72Å; N301-T304 PolarHBondContact O-N 3.33Å; N301-T304 VanDerWaalsContact O-N 3.08Å; N301-T304 PolarHBondContact O-OG1 2.84Å; T304-H307 PolarHBondContact O-CE1 3.33Å; T304-H307 VanDerWaalsContact O-CE1 3.28Å; T304-H307 PolarHBondContact O-ND1 2.97Å
305	S	70.2	Confident	64.6	Low	25 Å²	25	77.2 Å²	77.2	18%	0.175	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	10.6	-168.3	63.8	0	0	0	0	115.5	S303 H307 R308	S303-S305 PolarHBondContact O-N 3.39Å; S305-H307 PolarHBondContact O-N 3.32Å; S305-H307 VanDerWaalsContact O-N 3.16Å; S305-R308 PolarHBondContact O-N 3.5Å; S305-R308 VanDerWaalsContact O-O 3.04Å
306	L	82.4	Confident	67.3	Low	65 Å²	65	72.5 Å²	72.5	34%	0.34	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-178.3	-67.5	176.4	0	0	0	113.9	I194 R308	I194-L306 HydrophobicContact CD1-CB 4.42Å; I194-L306 HydrophobicContact CG1-CB 4.08Å; I194-L306 HydrophobicContact CG2-CD1 4.3Å; L306-R308 PolarHBondContact O-N 2.88Å
307	H	83.5	Confident	70.2	Confident	26 Å²	26	65.1 Å²	65.1	12%	0.12	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.5	175.5	67	-82.7	0	0	0	113.5	D190 V193 I194 T304 S305	D190-H307 HydrophobicContact CB-CB 3.86Å; D190-H307 VanDerWaalsContact CG-CD2 3.45Å; D190-H307 IonicContact OD1-CD2 3.99Å; D190-H307 IonicContact OD2-CD2 2.95Å; D190-H307 PolarHBondContact OD2-CD2 3.38Å; D190-H307 IonicContact OD2-NE2 3.68Å; V193-H307 HydrophobicContact CB-CB 4.29Å; V193-H307 HydrophobicContact CG1-CB 4.32Å; I194-H307 HydrophobicContact CG1-CB 4.08Å; T304-H307 PolarHBondContact O-CE1 3.33Å; T304-H307 VanDerWaalsContact O-CE1 3.28Å; T304-H307 PolarHBondContact O-ND1 2.97Å; S305-H307 PolarHBondContact O-N 3.32Å; S305-H307 VanDerWaalsContact O-N 3.16Å
308	R	86.7	Confident	72.9	Confident	134 Å²	134	57.8 Å²	57.8	51%	0.506	29%	0.294	S	S	.	.			trans	-102.7	126.5	178.2	-56.8	-171.8	-179.3	-172.5	-4.6	109.8	S305 L306 R360	S305-R308 PolarHBondContact O-N 3.5Å; S305-R308 VanDerWaalsContact O-O 3.04Å; L306-R308 PolarHBondContact O-N 2.88Å; R308-R360 HydrophobicContact CB-CB 4.48Å; R308-R360 HydrophobicContact CB-CG 4.25Å
309	T	91.2	Very high	75.4	Confident	6 Å²	6	53 Å²	53	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.6	174.5	63	0	0	0	0	110.1	L337 T357 P547	T309-L337 HydrophobicContact CG2-CD1 4.2Å; T309-T357 HydrophobicContact CG2-CG2 3.98Å; T309-P547 PolarHBondContact OG1-O 2.8Å
310	S	92.4	Very high	78	Confident	10 Å²	10	49.4 Å²	49.4	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.5	171.1	-66	0	0	0	0	107.9	F358 R360	S310-F358 PolarHBondContact N-O 2.85Å; S310-F358 WeakPolarHBondContact O-CA 3.36Å; S310-F358 PolarHBondContact O-N 2.88Å; S310-F358 VanDerWaalsContact O-O 3.12Å; S310-R360 WeakPolarHBondContact OG-CD 3.3Å
311	S	93.6	Very high	80.5	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.7	-176.8	52.9	0	0	0	0	114.4	V356 N386 P547	S311-V356 CarbonylContact C-O 3.59Å; S311-V356 WeakPolarHBondContact CA-O 3.45Å; S311-V356 WeakPolarHBondContact CB-O 3.35Å; S311-N386 WeakPolarHBondContact O-CB 3.44Å; S311-N386 PolarHBondContact O-N 3.25Å; S311-N386 WeakPolarHBondContact OG-CB 3.24Å; S311-N386 PolarHBondContact OG-ND2 3.18Å; S311-P547 VanDerWaalsContact CB-CG 3.48Å; S311-P547 WeakPolarHBondContact OG-CG 3.09Å
312	I	94.5	Very high	83	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.7	175.7	-59.4	177.5	0	0	0	107.9	L314 F330 W355 V356 F358 V364 I367 C368 L371 A383 I384	I312-L314 HydrophobicContact CG2-CD2 4.09Å; I312-F330 HydrophobicContact CD1-CE1 4.35Å; I312-W355 CarbonylContact O-C 3.43Å; I312-W355 WeakPolarHBondContact O-CA 3.47Å; I312-V356 HydrophobicContact CB-CB 4.44Å; I312-V356 PolarHBondContact N-O 3.37Å; I312-V356 PolarHBondContact O-N 3.44Å; I312-F358 HydrophobicContact CD1-CE2 3.85Å; I312-F358 HydrophobicContact CG1-CE2 4.23Å; I312-V364 HydrophobicContact CG1-CB 4.23Å; I312-I367 HydrophobicContact CD1-CB 4.02Å; I312-I367 HydrophobicContact CD1-CG2 3.59Å; I312-C368 HydrophobicContact CD1-CB 4.43Å; I312-L371 HydrophobicContact CD1-CD1 4.16Å; I312-A383 HydrophobicContact CG2-CB 3.92Å; I312-I384 CarbonylContact C-O 3.57Å
313	F	94.6	Very high	85.2	Confident	35 Å²	35	35.8 Å²	35.8	15%	0.154	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.7	175.4	175.3	-114.1	0	0	0	110.5	R315 R353 G354 W355 A383 I384 N386	F313-R315 HydrophobicContact CE1-CB 4.01Å; F313-R315 HydrophobicContact CE1-CG 4.34Å; F313-R353 HydrophobicContact CE2-CB 3.91Å; F313-R353 HydrophobicContact CE2-CG 4.26Å; F313-R353 HydrophobicContact CZ-CB 4.27Å; F313-R353 HydrophobicContact CZ-CG 4.12Å; F313-G354 WeakPolarHBondContact CD2-O 3.16Å; F313-W355 HydrophobicContact CD2-CD2 4.16Å; F313-W355 AromaticContact CD2-CE2 3.59Å; F313-W355 HydrophobicContact CD2-CG 4.43Å; F313-W355 AromaticContact CD2-CZ2 3.93Å; F313-W355 HydrophobicContact CD2-CZ2 3.93Å; F313-W355 AromaticContact CD2-NE1 3.51Å; F313-W355 AromaticContact CE2-CE2 3.85Å; F313-W355 HydrophobicContact CE2-CH2 4.23Å; F313-W355 AromaticContact CE2-CZ2 3.66Å; F313-W355 HydrophobicContact CE2-CZ2 3.66Å; F313-A383 CarbonylContact O-C 3.5Å; F313-A383 WeakPolarHBondContact O-CA 3.47Å; F313-I384 PolarHBondContact N-O 2.83Å; F313-I384 PolarHBondContact O-N 2.75Å; F313-N386 HydrophobicContact CB-CB 4.21Å
314	L	93.1	Very high	87.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.3	177.6	-53.4	-179.6	0	0	0	108.3	I312 L317 V326 F330 R353 G354 V356 L381 A383	I312-L314 HydrophobicContact CG2-CD2 4.09Å; L314-L317 HydrophobicContact CB-CD1 4.09Å; L314-L317 HydrophobicContact CB-CD2 4.22Å; L314-L317 HydrophobicContact CB-CG 4.07Å; L314-L317 HydrophobicContact CD1-CD1 4.14Å; L314-L317 HydrophobicContact CD1-CD2 4.05Å; L314-V326 HydrophobicContact CD1-CG1 4.05Å; L314-F330 HydrophobicContact CD1-CE2 3.98Å; L314-F330 HydrophobicContact CD1-CZ 4.22Å; L314-F330 HydrophobicContact CD2-CZ 4.09Å; L314-R353 WeakPolarHBondContact O-CA 3.47Å; L314-G354 PolarHBondContact N-O 2.94Å; L314-G354 PolarHBondContact O-N 3.14Å; L314-V356 HydrophobicContact CD1-CG2 3.87Å; L314-V356 HydrophobicContact CG-CG2 4.32Å; L314-L381 HydrophobicContact CD2-CB 4.37Å; L314-A383 HydrophobicContact CD2-CB 3.82Å
315	R	90.3	Very high	89.1	Confident	115 Å²	115	42.7 Å²	42.7	43%	0.434	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-36.7	-173.6	-172.8	-179.9	170.6	-178.9	-3.5	112.8	F313 L381 G382	F313-R315 HydrophobicContact CE1-CB 4.01Å; F313-R315 HydrophobicContact CE1-CG 4.34Å; R315-L381 PolarHBondContact N-O 2.8Å; R315-G382 PolarHBondContact N-O 2.86Å
316	N	88.7	Confident	90.2	Very high	59 Å²	59	41.8 Å²	41.8	32%	0.316	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	95.5	-169.8	-61.1	-22.6	0	0	0	109.6	Y351 L381	N316-Y351 HydrophobicContact CB-CD1 4.16Å; N316-Y351 HydrophobicContact CB-CE1 4.33Å; N316-L381 PolarHBondContact N-O 2.83Å
317	L	90.6	Very high	90.7	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116	169.4	-64.7	174.7	0	0	0	109.2	L314 L341 Y351 R352 L381	L314-L317 HydrophobicContact CB-CD1 4.09Å; L314-L317 HydrophobicContact CB-CD2 4.22Å; L314-L317 HydrophobicContact CB-CG 4.07Å; L314-L317 HydrophobicContact CD1-CD1 4.14Å; L314-L317 HydrophobicContact CD1-CD2 4.05Å; L317-L341 HydrophobicContact CD1-CD2 3.37Å; L317-Y351 CarbonylContact O-C 3.54Å; L317-Y351 WeakPolarHBondContact O-CA 3.32Å; L317-R352 HydrophobicContact CB-CB 4.16Å; L317-R352 WeakPolarHBondContact CB-O 3.48Å; L317-R352 PolarHBondContact N-O 2.85Å; L317-R352 PolarHBondContact O-N 2.83Å; L317-L381 HydrophobicContact CD2-CD2 3.51Å
318	A	89.7	Confident	91.1	Very high	9 Å²	9	42 Å²	42	7%	0.074	21%	0.207	C	C	.	.			trans	-62.2	148	174.5	0	0	0	0	0	110.7	N320 I321 Y351 C379	A318-N320 WeakPolarHBondContact CB-OD1 3.2Å; A318-N320 PolarHBondContact O-N 3.06Å; A318-I321 HydrophobicContact CB-CD1 4.09Å; A318-I321 HydrophobicContact CB-CG1 4.29Å; A318-I321 PolarHBondContact O-N 3.44Å; A318-Y351 HydrophobicContact CB-CE1 4.26Å; A318-C379 HydrophobicContact CB-CB 4.3Å
319	P	86.6	Confident	91.3	Very high	23 Å²	23	37 Å²	37	15%	0.149	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.5	-174.8	25.7	-34.5	0	0	0	114.1	F350	P319-F350 HydrophobicContact CB-CB 4.41Å; P319-F350 HydrophobicContact CG-CB 4.49Å
320	N	87.8	Confident	91.4	Very high	82 Å²	82	36.7 Å²	36.7	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.9	176.9	65.1	-17.9	0	0	0	114.1	A318 K377	A318-N320 WeakPolarHBondContact CB-OD1 3.2Å; A318-N320 PolarHBondContact O-N 3.06Å; N320-K377 PolarHBondContact O-NZ 3.36Å
321	I	89.9	Confident	91.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	-84.2	124.3	176.1	-61.2	172.2	0	0	0	107.9	A318 E325 V326 R352 V376 K377 C379	A318-I321 HydrophobicContact CB-CD1 4.09Å; A318-I321 HydrophobicContact CB-CG1 4.29Å; A318-I321 PolarHBondContact O-N 3.44Å; I321-E325 WeakPolarHBondContact CA-OE2 3.44Å; I321-E325 HydrophobicContact CG2-CB 4.43Å; I321-V326 HydrophobicContact CG2-CG2 3.75Å; I321-R352 PolarHBondContact O-NH2 3.03Å; I321-V376 HydrophobicContact CD1-CB 4.35Å; I321-V376 HydrophobicContact CD1-CG1 4.23Å; I321-V376 HydrophobicContact CG1-CG1 4.4Å; I321-V376 HydrophobicContact CG2-CG1 4.31Å; I321-K377 HydrophobicContact CG1-CD 4.35Å; I321-C379 HydrophobicContact CD1-CB 3.84Å
322	T	90.9	Very high	91.2	Very high	39 Å²	39	52 Å²	52	24%	0.239	25%	0.247	C	C	.	.			trans	-87.2	158.3	-177.8	67.1	0	0	0	0	112.2	E134 Q324 E325 V326	E134-T322 HydrophobicContact CB-CG2 4.41Å; E134-T322 WeakPolarHBondContact OE2-CA 3.29Å; T322-Q324 PolarHBondContact O-N 2.86Å; T322-E325 PolarHBondContact N-OE2 3.39Å; T322-E325 PolarHBondContact O-N 2.83Å; T322-E325 VanDerWaalsContact OG1-CG 3.26Å; T322-E325 WeakPolarHBondContact OG1-CG 3.46Å; T322-E325 PolarHBondContact OG1-N 3.35Å; T322-V326 PolarHBondContact O-N 3.02Å
323	K	91.3	Very high	91.1	Very high	44 Å²	44	54.7 Å²	54.7	19%	0.191	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-39.2	174.3	-177.5	175.5	171.6	172.8	0	111.5	E134 E325 V326 E327 V339 L341 E545	E134-K323 VanDerWaalsContact CD-N 3.31Å; E134-K323 WeakPolarHBondContact OE1-CB 3.12Å; E134-K323 PolarHBondContact OE1-N 2.95Å; E134-K323 PolarHBondContact OE2-N 2.67Å; K323-E325 PolarHBondContact O-N 3.42Å; K323-V326 PolarHBondContact O-N 2.95Å; K323-E327 VanDerWaalsContact CE-OE1 3.24Å; K323-E327 WeakPolarHBondContact CE-OE1 3.38Å; K323-E327 HydrophobicContact CG-CG 4.42Å; K323-E327 WeakPolarHBondContact O-CG 3.42Å; K323-E327 PolarHBondContact O-N 3.32Å; K323-V339 WeakPolarHBondContact CE-O 3.42Å; K323-V339 HydrophobicContact CG-CG1 4.44Å; K323-V339 PolarHBondContact NZ-O 2.92Å; K323-L341 HydrophobicContact CB-CD1 3.79Å; K323-L341 HydrophobicContact CG-CD1 4.31Å; K323-E545 IonicContact NZ-OE1 3.11Å; K323-E545 PolarHBondContact NZ-OE1 3.5Å; K323-E545 IonicContact NZ-OE2 3.84Å; K323-E545 PolarHBondContact NZ-OE2 3.02Å
324	Q	91.6	Very high	91	Very high	148 Å²	148	58.1 Å²	58.1	69%	0.692	29%	0.285	S	S	*	.	H	α-helix	trans	-63.7	-38.7	179.6	-64.9	-178.1	3.7	0	0	112.7	T322 E327 A328	T322-Q324 PolarHBondContact O-N 2.86Å; Q324-E327 PolarHBondContact O-N 3.45Å; Q324-A328 VanDerWaalsContact O-CB 3.32Å; Q324-A328 WeakPolarHBondContact O-CB 3.48Å; Q324-A328 PolarHBondContact O-N 2.8Å
325	E	92.3	Very high	90.8	Very high	68 Å²	68	59.2 Å²	59.2	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-43.8	175.7	-73.9	166.1	178.6	0	0	111.3	I321 T322 K323 A328 L329 K377	I321-E325 WeakPolarHBondContact CA-OE2 3.44Å; I321-E325 HydrophobicContact CG2-CB 4.43Å; T322-E325 PolarHBondContact N-OE2 3.39Å; T322-E325 PolarHBondContact O-N 2.83Å; T322-E325 VanDerWaalsContact OG1-CG 3.26Å; T322-E325 WeakPolarHBondContact OG1-CG 3.46Å; T322-E325 PolarHBondContact OG1-N 3.35Å; K323-E325 PolarHBondContact O-N 3.42Å; E325-A328 PolarHBondContact O-N 2.89Å; E325-L329 PolarHBondContact O-N 3.43Å; E325-L329 VanDerWaalsContact O-N 3.13Å; E325-K377 WeakPolarHBondContact OE1-CE 3.43Å; E325-K377 IonicContact OE1-NZ 2.69Å; E325-K377 PolarHBondContact OE1-NZ 2.69Å; E325-K377 VanDerWaalsContact OE2-CE 3.23Å; E325-K377 WeakPolarHBondContact OE2-CE 3.5Å; E325-K377 IonicContact OE2-NZ 2.88Å; E325-K377 PolarHBondContact OE2-NZ 3.1Å
326	V	92.2	Very high	91	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-49.2	174.6	-177.5	0	0	0	0	109.7	L314 I321 T322 K323 A328 L329 F330 V339	L314-V326 HydrophobicContact CD1-CG1 4.05Å; I321-V326 HydrophobicContact CG2-CG2 3.75Å; T322-V326 PolarHBondContact O-N 3.02Å; K323-V326 PolarHBondContact O-N 2.95Å; V326-A328 VanDerWaalsContact C-N 3.35Å; V326-A328 PolarHBondContact O-N 3.4Å; V326-L329 WeakPolarHBondContact O-CB 3.4Å; V326-L329 PolarHBondContact O-N 3.05Å; V326-F330 HydrophobicContact CG1-CD2 3.73Å; V326-F330 HydrophobicContact CG1-CE2 3.78Å; V326-F330 VanDerWaalsContact O-CD2 3.24Å; V326-F330 WeakPolarHBondContact O-CD2 3.22Å; V326-F330 PolarHBondContact O-N 3.07Å; V326-F330 VanDerWaalsContact O-N 3.11Å; V326-V339 HydrophobicContact CB-CG1 4.31Å; V326-V339 HydrophobicContact CG1-CG1 3.8Å; V326-V339 HydrophobicContact CG1-CG2 4Å
327	E	93.6	Very high	91.1	Very high	41 Å²	41	55.5 Å²	55.5	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-43.9	177	-74.9	-171.5	-173.9	0	0	113	K323 Q324 L329 F330 K331 F336 V339	K323-E327 VanDerWaalsContact CE-OE1 3.24Å; K323-E327 WeakPolarHBondContact CE-OE1 3.38Å; K323-E327 HydrophobicContact CG-CG 4.42Å; K323-E327 WeakPolarHBondContact O-CG 3.42Å; K323-E327 PolarHBondContact O-N 3.32Å; Q324-E327 PolarHBondContact O-N 3.45Å; E327-L329 VanDerWaalsContact C-N 3.26Å; E327-L329 PolarHBondContact O-N 3.11Å; E327-F330 PolarHBondContact O-N 3.31Å; E327-K331 HydrophobicContact CB-CD 4.45Å; E327-K331 VanDerWaalsContact O-CB 3.25Å; E327-K331 WeakPolarHBondContact O-CB 3.31Å; E327-K331 WeakPolarHBondContact O-CG 3.34Å; E327-K331 PolarHBondContact O-N 3.1Å; E327-K331 IonicContact OE2-NZ 2.72Å; E327-K331 PolarHBondContact OE2-NZ 3.25Å; E327-F336 HydrophobicContact CB-CZ 4.42Å; E327-F336 HydrophobicContact CG-CZ 4.15Å; E327-V339 HydrophobicContact CB-CG2 4.45Å; E327-V339 HydrophobicContact CG-CB 3.9Å; E327-V339 HydrophobicContact CG-CG2 3.66Å
328	A	92.5	Very high	91.3	Very high	54 Å²	54	57.1 Å²	57.1	45%	0.446	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-31.8	179.9	0	0	0	0	0	112.7	Q324 E325 V326	Q324-A328 VanDerWaalsContact O-CB 3.32Å; Q324-A328 WeakPolarHBondContact O-CB 3.48Å; Q324-A328 PolarHBondContact O-N 2.8Å; E325-A328 PolarHBondContact O-N 2.89Å; V326-A328 VanDerWaalsContact C-N 3.35Å; V326-A328 PolarHBondContact O-N 3.4Å
329	L	91	Very high	91.5	Very high	29 Å²	29	56.7 Å²	56.7	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-46.7	174.4	-172.1	154.2	0	0	0	110.9	E325 V326 E327 L371 I374 V376 L381	E325-L329 PolarHBondContact O-N 3.43Å; E325-L329 VanDerWaalsContact O-N 3.13Å; V326-L329 WeakPolarHBondContact O-CB 3.4Å; V326-L329 PolarHBondContact O-N 3.05Å; E327-L329 VanDerWaalsContact C-N 3.26Å; E327-L329 PolarHBondContact O-N 3.11Å; L329-L371 HydrophobicContact CD2-CD2 3.43Å; L329-L371 VanDerWaalsContact CD2-CD2 3.43Å; L329-I374 HydrophobicContact CD1-CG2 4.17Å; L329-V376 HydrophobicContact CD1-CG2 3.44Å; L329-V376 VanDerWaalsContact CD1-CG2 3.44Å; L329-L381 HydrophobicContact CD1-CD1 4.41Å
330	F	91.7	Very high	91.8	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-84.5	-23.8	-174	-74	-82.2	0	0	0	114.6	I312 L314 V326 E327 R332 Y333 F336 V356 F358 L371	I312-F330 HydrophobicContact CD1-CE1 4.35Å; L314-F330 HydrophobicContact CD1-CE2 3.98Å; L314-F330 HydrophobicContact CD1-CZ 4.22Å; L314-F330 HydrophobicContact CD2-CZ 4.09Å; V326-F330 HydrophobicContact CG1-CD2 3.73Å; V326-F330 HydrophobicContact CG1-CE2 3.78Å; V326-F330 VanDerWaalsContact O-CD2 3.24Å; V326-F330 WeakPolarHBondContact O-CD2 3.22Å; V326-F330 PolarHBondContact O-N 3.07Å; V326-F330 VanDerWaalsContact O-N 3.11Å; E327-F330 PolarHBondContact O-N 3.31Å; F330-R332 PolarHBondContact O-N 2.88Å; F330-R332 VanDerWaalsContact O-N 3.09Å; F330-Y333 HydrophobicContact CD1-CD2 4.41Å; F330-Y333 PolarHBondContact O-N 3.12Å; F330-F336 HydrophobicContact CB-CD2 3.62Å; F330-F336 HydrophobicContact CB-CE2 3.68Å; F330-V356 HydrophobicContact CB-CG1 3.91Å; F330-V356 HydrophobicContact CD1-CB 4.37Å; F330-V356 HydrophobicContact CD1-CG1 3.75Å; F330-V356 HydrophobicContact CD1-CG2 4.27Å; F330-V356 HydrophobicContact CD2-CG1 4.18Å; F330-V356 HydrophobicContact CD2-CG2 3.78Å; F330-V356 HydrophobicContact CE1-CB 4.31Å; F330-V356 HydrophobicContact CE1-CG1 4.18Å; F330-V356 HydrophobicContact CE1-CG2 4.01Å; F330-V356 HydrophobicContact CE2-CG2 3.65Å; F330-V356 HydrophobicContact CG-CB 4.47Å; F330-V356 HydrophobicContact CG-CG1 3.7Å; F330-V356 HydrophobicContact CG-CG2 4.12Å; F330-V356 HydrophobicContact CZ-CG2 3.76Å; F330-F358 HydrophobicContact CD1-CE2 4.28Å; F330-F358 AromaticContact CD1-CZ 3.86Å; F330-F358 HydrophobicContact CD1-CZ 3.86Å; F330-L371 HydrophobicContact CD1-CD1 4.14Å; F330-L371 HydrophobicContact CE1-CD1 3.18Å; F330-L371 HydrophobicContact CE1-CD2 4.14Å; F330-L371 HydrophobicContact CE1-CG 4.31Å; F330-L371 HydrophobicContact CZ-CD1 3.64Å; F330-L371 HydrophobicContact CZ-CD2 4.19Å
331	K	92.5	Very high	92.1	Very high	119 Å²	119	52.6 Å²	52.6	52%	0.517	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.3	174.5	-83.6	170.7	-175	163.5	0	113.8	E327 Y333 F336	E327-K331 HydrophobicContact CB-CD 4.45Å; E327-K331 VanDerWaalsContact O-CB 3.25Å; E327-K331 WeakPolarHBondContact O-CB 3.31Å; E327-K331 WeakPolarHBondContact O-CG 3.34Å; E327-K331 PolarHBondContact O-N 3.1Å; E327-K331 IonicContact OE2-NZ 2.72Å; E327-K331 PolarHBondContact OE2-NZ 3.25Å; K331-Y333 VanDerWaalsContact C-N 3.26Å; K331-Y333 PolarHBondContact O-N 3.38Å; K331-F336 HydrophobicContact CD-CE1 4.41Å; K331-F336 HydrophobicContact CG-CD1 3.61Å; K331-F336 HydrophobicContact CG-CE1 3.6Å; K331-F336 HydrophobicContact CG-CG 4.34Å; K331-F336 HydrophobicContact CG-CZ 4.29Å
332	R	90.6	Very high	92.1	Very high	216 Å²	216	53.8 Å²	53.8	82%	0.815	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.4	176	-59.6	179.4	-173.3	-172.5	-0.2	112.7	F330	F330-R332 PolarHBondContact O-N 2.88Å; F330-R332 VanDerWaalsContact O-N 3.09Å
333	Y	92.1	Very high	91.9	Very high	56 Å²	56	57.8 Å²	57.8	22%	0.22	29%	0.288	C	S	.	.	S	Bend	trans	-87.6	137.3	177.1	-61.3	-80.8	0	0	0	110.1	F330 K331 I367 L371	F330-Y333 HydrophobicContact CD1-CD2 4.41Å; F330-Y333 PolarHBondContact O-N 3.12Å; K331-Y333 VanDerWaalsContact C-N 3.26Å; K331-Y333 PolarHBondContact O-N 3.38Å; Y333-I367 HydrophobicContact CD1-CD1 4.2Å; Y333-I367 HydrophobicContact CD1-CG1 3.88Å; Y333-I367 HydrophobicContact CD1-CG2 4.12Å; Y333-I367 HydrophobicContact CD2-CG2 4.1Å; Y333-I367 HydrophobicContact CE1-CG1 4.35Å; Y333-I367 HydrophobicContact CE1-CG2 4.17Å; Y333-I367 HydrophobicContact CE2-CG2 4.15Å; Y333-I367 HydrophobicContact CG-CD1 4.18Å; Y333-I367 HydrophobicContact CG-CG1 4.29Å; Y333-I367 HydrophobicContact CG-CG2 4.08Å; Y333-L371 HydrophobicContact CE2-CD2 4.27Å
334	C	91	Very high	91.8	Very high	107 Å²	107	56.4 Å²	56.4	72%	0.723	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	145.2	177.5	60.7	0	0	0	0	111.2	F336	C334-F336 VanDerWaalsContact C-N 3.3Å; C334-F336 PolarHBondContact O-N 3.35Å
335	G	90.1	Very high	91.4	Very high	23 Å²	23	52.5 Å²	52.5	24%	0.237	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	14.1	177.9	0	0	0	0	0	115.6	F358 R359	G335-F358 CarbonylContact O-C 3.22Å; G335-F358 VanDerWaalsContact O-CA 3.3Å; G335-F358 WeakPolarHBondContact O-CA 3.5Å; G335-R359 PolarHBondContact O-N 3.22Å
336	F	93.6	Very high	91	Very high	36 Å²	36	52.1 Å²	52.1	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	135.9	166.7	172.1	-94	0	0	0	111.2	E327 F330 K331 C334 V339 V356 F358	E327-F336 HydrophobicContact CB-CZ 4.42Å; E327-F336 HydrophobicContact CG-CZ 4.15Å; F330-F336 HydrophobicContact CB-CD2 3.62Å; F330-F336 HydrophobicContact CB-CE2 3.68Å; K331-F336 HydrophobicContact CD-CE1 4.41Å; K331-F336 HydrophobicContact CG-CD1 3.61Å; K331-F336 HydrophobicContact CG-CE1 3.6Å; K331-F336 HydrophobicContact CG-CG 4.34Å; K331-F336 HydrophobicContact CG-CZ 4.29Å; C334-F336 VanDerWaalsContact C-N 3.3Å; C334-F336 PolarHBondContact O-N 3.35Å; F336-V339 HydrophobicContact CE2-CG2 3.69Å; F336-V339 HydrophobicContact CZ-CG2 3.82Å; F336-V356 HydrophobicContact CD2-CG1 3.95Å; F336-V356 HydrophobicContact CE2-CG1 3.81Å; F336-F358 HydrophobicContact CB-CD1 4.33Å; F336-F358 HydrophobicContact CB-CE1 3.98Å; F336-F358 HydrophobicContact CD2-CE1 4.39Å; F336-F358 HydrophobicContact CD2-CZ 4.44Å
337	L	92.1	Very high	90.6	Very high	60 Å²	60	59.6 Å²	59.6	31%	0.314	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-62.1	176.8	-63.8	175	0	0	0	111.7	T309 T357 R359	T309-L337 HydrophobicContact CG2-CD1 4.2Å; L337-T357 WeakPolarHBondContact CB-O 3.29Å; L337-T357 HydrophobicContact CD1-CG2 4.17Å; L337-T357 PolarHBondContact N-O 2.9Å; L337-R359 HydrophobicContact CD1-CG 4.22Å; L337-R359 HydrophobicContact CD2-CG 3.88Å; L337-R359 HydrophobicContact CG-CG 4.13Å
338	R	93.9	Very high	90.1	Very high	36 Å²	36	62.6 Å²	62.6	14%	0.136	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	159.8	-173	55.6	179.3	174	-107.6	-8.6	113.3	E197 T357 E545 M546 R549	E197-R338 IonicContact OE1-CZ 3.34Å; E197-R338 VanDerWaalsContact OE1-CZ 3.22Å; E197-R338 IonicContact OE1-NH1 2.81Å; E197-R338 PolarHBondContact OE1-NH1 3.4Å; E197-R338 IonicContact OE1-NH2 2.75Å; E197-R338 PolarHBondContact OE1-NH2 2.78Å; E197-R338 IonicContact OE2-NH1 3.45Å; E197-R338 PolarHBondContact OE2-NH1 2.96Å; R338-T357 PolarHBondContact N-O 3.25Å; R338-T357 PolarHBondContact O-N 2.91Å; R338-E545 VanDerWaalsContact CD-O 3.26Å; R338-E545 WeakPolarHBondContact CD-O 3.37Å; R338-E545 PolarHBondContact NE-O 3.26Å; R338-M546 PolarHBondContact NE-O 2.9Å; R338-M546 PolarHBondContact NH2-O 3.23Å; R338-M546 VanDerWaalsContact NH2-O 3.16Å; R338-R549 VanDerWaalsContact NH2-CD 3.32Å
339	V	94.8	Very high	89.7	Confident	1 Å²	1	70 Å²	70	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.1	170.4	176.8	0	0	0	0	109	K323 V326 E327 F336 L341 W355 V356	K323-V339 WeakPolarHBondContact CE-O 3.42Å; K323-V339 HydrophobicContact CG-CG1 4.44Å; K323-V339 PolarHBondContact NZ-O 2.92Å; V326-V339 HydrophobicContact CB-CG1 4.31Å; V326-V339 HydrophobicContact CG1-CG1 3.8Å; V326-V339 HydrophobicContact CG1-CG2 4Å; E327-V339 HydrophobicContact CB-CG2 4.45Å; E327-V339 HydrophobicContact CG-CB 3.9Å; E327-V339 HydrophobicContact CG-CG2 3.66Å; F336-V339 HydrophobicContact CE2-CG2 3.69Å; F336-V339 HydrophobicContact CZ-CG2 3.82Å; V339-L341 HydrophobicContact CG1-CD2 4.06Å; V339-L341 HydrophobicContact CG1-CG 4.34Å; V339-W355 CarbonylContact C-O 3.57Å; V339-W355 WeakPolarHBondContact CA-O 3.3Å; V339-V356 HydrophobicContact CG2-CG1 4.33Å; V339-V356 HydrophobicContact CG2-CG2 4.26Å
340	S	93.3	Very high	89.5	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.7	168.9	-173.6	0	0	0	0	110.9	G354 W355 E545 M546	S340-G354 CarbonylContact O-C 3.59Å; S340-G354 VanDerWaalsContact O-CA 3.23Å; S340-G354 WeakPolarHBondContact O-CA 3.08Å; S340-W355 PolarHBondContact N-O 3.2Å; S340-W355 PolarHBondContact O-N 3.4Å; S340-E545 WeakPolarHBondContact CB-O 3.24Å; S340-E545 WeakPolarHBondContact OG-CB 3.31Å; S340-M546 WeakPolarHBondContact OG-CE 3.47Å
341	L	92.8	Very high	89.3	Confident	17 Å²	17	73.5 Å²	73.5	9%	0.089	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133	180	-58.8	-177.2	0	0	0	110.1	L317 K323 V339	L317-L341 HydrophobicContact CD1-CD2 3.37Å; K323-L341 HydrophobicContact CB-CD1 3.79Å; K323-L341 HydrophobicContact CG-CD1 4.31Å; V339-L341 HydrophobicContact CG1-CD2 4.06Å; V339-L341 HydrophobicContact CG1-CG 4.34Å
342	A	91.2	Very high	89.3	Confident	27 Å²	27	68.4 Å²	68.4	22%	0.223	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-71.1	163	172.5	0	0	0	0	0	112	R353 W355	A342-R353 HydrophobicContact CB-CB 4.13Å; A342-R353 PolarHBondContact N-O 3Å; A342-W355 HydrophobicContact CB-CH2 4.35Å; A342-W355 HydrophobicContact CB-CZ3 3.91Å
343	E	86.2	Confident	89.4	Confident	123 Å²	123	60.2 Å²	60.2	58%	0.575	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-61.4	136.8	166	-164.5	170.3	-165.7	0	0	110
344	P	87.7	Confident	89.5	Confident	16 Å²	16	57.6 Å²	57.6	10%	0.104	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-65.5	137.4	-179.8	25	-33.5	0	0	0	111.8	W135 F350 R352	W135-P344 HydrophobicContact CB-CG 4.23Å; W135-P344 HydrophobicContact CD2-CB 4.45Å; W135-P344 HydrophobicContact CD2-CG 3.38Å; W135-P344 HydrophobicContact CE3-CG 3.41Å; W135-P344 VanDerWaalsContact CE3-CG 3.41Å; W135-P344 HydrophobicContact CG-CG 3.74Å; W135-P344 HydrophobicContact CH2-CG 4.23Å; W135-P344 HydrophobicContact CZ2-CG 4.23Å; W135-P344 HydrophobicContact CZ3-CG 3.85Å; P344-F350 HydrophobicContact CB-CB 3.93Å; P344-F350 HydrophobicContact CB-CD1 4.19Å; P344-F350 VanDerWaalsContact CB-O 3.23Å; P344-F350 WeakPolarHBondContact CB-O 3.13Å; P344-F350 HydrophobicContact CG-CD1 4.43Å; P344-R352 HydrophobicContact CB-CG 3.81Å
345	L	84.5	Confident	89.7	Confident	66 Å²	66	54.2 Å²	54.2	35%	0.346	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-90.2	119.3	179.5	-63.2	174.3	0	0	0	110.2	E347 R348 F350 Y351	L345-E347 VanDerWaalsContact C-N 3.31Å; L345-E347 PolarHBondContact O-N 3.42Å; L345-R348 HydrophobicContact CB-CB 4.33Å; L345-R348 CarbonylContact O-C 3.58Å; L345-R348 PolarHBondContact O-N 2.89Å; L345-R348 VanDerWaalsContact O-N 3.07Å; L345-F350 VanDerWaalsContact O-CA 3.32Å; L345-F350 WeakPolarHBondContact O-CA 3.29Å; L345-F350 PolarHBondContact O-N 3.32Å; L345-Y351 PolarHBondContact N-O 2.74Å
346	Q	84	Confident	89.9	Confident	59 Å²	59	53.1 Å²	53.1	28%	0.276	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-56	-44.4	178.1	-67.6	170.4	7.5	0	0	112	R348 R349 F350 M672	Q346-R348 PolarHBondContact O-N 3.39Å; Q346-R348 VanDerWaalsContact O-N 3.11Å; Q346-R349 PolarHBondContact O-N 3.38Å; Q346-R349 VanDerWaalsContact O-N 3.09Å; Q346-F350 HydrophobicContact CB-CE1 4.34Å; Q346-F350 HydrophobicContact CB-CZ 4.41Å; Q346-F350 HydrophobicContact CG-CD1 4.43Å; Q346-F350 HydrophobicContact CG-CE1 3.61Å; Q346-F350 HydrophobicContact CG-CZ 3.94Å; Q346-M672 HydrophobicContact CB-CE 4.04Å
347	E	82.5	Confident	90	Very high	164 Å²	164	51.4 Å²	51.4	77%	0.766	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-58.1	-26.1	178.4	-66.6	178.4	-178.3	0	0	113.7	L345 M672	L345-E347 VanDerWaalsContact C-N 3.31Å; L345-E347 PolarHBondContact O-N 3.42Å; E347-M672 HydrophobicContact CG-CE 3.58Å; E347-M672 HydrophobicContact CG-SD 4.15Å
348	R	84.2	Confident	90.1	Very high	104 Å²	104	48.6 Å²	48.6	39%	0.392	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-107.7	37.5	179.4	-63.9	-165.3	176.8	-179.5	6.1	111.6	L345 Q346 F350 Y351	L345-R348 HydrophobicContact CB-CB 4.33Å; L345-R348 CarbonylContact O-C 3.58Å; L345-R348 PolarHBondContact O-N 2.89Å; L345-R348 VanDerWaalsContact O-N 3.07Å; Q346-R348 PolarHBondContact O-N 3.39Å; Q346-R348 VanDerWaalsContact O-N 3.11Å; R348-F350 PolarHBondContact O-N 3.28Å; R348-F350 VanDerWaalsContact O-N 3.14Å; R348-Y351 WeakPolarHBondContact O-CB 3.39Å; R348-Y351 WeakPolarHBondContact O-CD2 3.21Å; R348-Y351 PolarHBondContact O-N 3.16Å
349	R	83.8	Confident	90	Very high	210 Å²	210	53.9 Å²	53.9	79%	0.792	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	40.4	178.8	-56.3	-178.8	-179.6	-174.9	-1.4	112.5	Q346 Y351	Q346-R349 PolarHBondContact O-N 3.38Å; Q346-R349 VanDerWaalsContact O-N 3.09Å; R349-Y351 HydrophobicContact CB-CD2 4.37Å; R349-Y351 PolarHBondContact O-N 3.08Å
350	F	85.8	Confident	89.7	Confident	14 Å²	14	58.7 Å²	58.7	6%	0.061	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	19.6	-179.5	-54.9	-85.4	0	0	0	115.4	F126 H130 W135 P319 P344 L345 Q346 R348 R352 P669	F126-F350 HydrophobicContact CE2-CE1 4.34Å; F126-F350 AromaticContact CE2-CE2 3.92Å; F126-F350 HydrophobicContact CE2-CE2 3.92Å; F126-F350 AromaticContact CE2-CZ 3.52Å; F126-F350 HydrophobicContact CE2-CZ 3.52Å; F126-F350 AromaticContact CZ-CE1 3.91Å; F126-F350 HydrophobicContact CZ-CE1 3.91Å; F126-F350 HydrophobicContact CZ-CE2 4.24Å; F126-F350 AromaticContact CZ-CZ 3.55Å; F126-F350 HydrophobicContact CZ-CZ 3.55Å; H130-F350 AromaticContact NE2-CD2 3.72Å; H130-F350 AromaticContact NE2-CE2 3.82Å; W135-F350 AromaticContact CH2-CD1 3.97Å; W135-F350 HydrophobicContact CH2-CD1 3.97Å; W135-F350 HydrophobicContact CH2-CE1 4.07Å; W135-F350 AromaticContact CZ2-CD1 3.72Å; W135-F350 HydrophobicContact CZ2-CD1 3.72Å; W135-F350 HydrophobicContact CZ2-CE1 4.16Å; W135-F350 HydrophobicContact CZ2-CG 4.33Å; P319-F350 HydrophobicContact CB-CB 4.41Å; P319-F350 HydrophobicContact CG-CB 4.49Å; P344-F350 HydrophobicContact CB-CB 3.93Å; P344-F350 HydrophobicContact CB-CD1 4.19Å; P344-F350 VanDerWaalsContact CB-O 3.23Å; P344-F350 WeakPolarHBondContact CB-O 3.13Å; P344-F350 HydrophobicContact CG-CD1 4.43Å; L345-F350 VanDerWaalsContact O-CA 3.32Å; L345-F350 WeakPolarHBondContact O-CA 3.29Å; L345-F350 PolarHBondContact O-N 3.32Å; Q346-F350 HydrophobicContact CB-CE1 4.34Å; Q346-F350 HydrophobicContact CB-CZ 4.41Å; Q346-F350 HydrophobicContact CG-CD1 4.43Å; Q346-F350 HydrophobicContact CG-CE1 3.61Å; Q346-F350 HydrophobicContact CG-CZ 3.94Å; R348-F350 PolarHBondContact O-N 3.28Å; R348-F350 VanDerWaalsContact O-N 3.14Å; F350-R352 PolarHBondContact O-N 3.36Å; F350-P669 HydrophobicContact CE1-CB 3.99Å
351	Y	89.3	Confident	89.4	Confident	89 Å²	89	65 Å²	65	35%	0.349	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-60.8	138	167.7	-84.7	-108.7	0	0	0	110.3	N316 L317 A318 L345 R348 R349	N316-Y351 HydrophobicContact CB-CD1 4.16Å; N316-Y351 HydrophobicContact CB-CE1 4.33Å; L317-Y351 CarbonylContact O-C 3.54Å; L317-Y351 WeakPolarHBondContact O-CA 3.32Å; A318-Y351 HydrophobicContact CB-CE1 4.26Å; L345-Y351 PolarHBondContact N-O 2.74Å; R348-Y351 WeakPolarHBondContact O-CB 3.39Å; R348-Y351 WeakPolarHBondContact O-CD2 3.21Å; R348-Y351 PolarHBondContact O-N 3.16Å; R349-Y351 HydrophobicContact CB-CD2 4.37Å; R349-Y351 PolarHBondContact O-N 3.08Å
352	R	91.4	Very high	89.3	Confident	12 Å²	12	65.3 Å²	65.3	5%	0.045	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	155.1	177.1	-60.2	-169.8	-70.4	176.1	-2.1	109.9	E134 L317 I321 P344 F350	E134-R352 IonicContact OE2-CZ 3.43Å; E134-R352 IonicContact OE2-NH1 3.73Å; E134-R352 PolarHBondContact OE2-NH1 2.85Å; E134-R352 IonicContact OE2-NH2 3.5Å; E134-R352 PolarHBondContact OE2-NH2 2.75Å; L317-R352 HydrophobicContact CB-CB 4.16Å; L317-R352 WeakPolarHBondContact CB-O 3.48Å; L317-R352 PolarHBondContact N-O 2.85Å; L317-R352 PolarHBondContact O-N 2.83Å; I321-R352 PolarHBondContact O-NH2 3.03Å; P344-R352 HydrophobicContact CB-CG 3.81Å; F350-R352 PolarHBondContact O-N 3.36Å
353	R	92.6	Very high	89.2	Confident	44 Å²	44	67.7 Å²	67.7	17%	0.166	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	150.6	165	-63	174.9	-176.1	-165.4	18.5	108.6	D5 F313 L314 A342 W355	D5-R353 IonicContact OD1-CZ 2.74Å; D5-R353 IonicContact OD1-NH1 3.29Å; D5-R353 PolarHBondContact OD1-NH1 3.29Å; D5-R353 IonicContact OD1-NH2 3.4Å; D5-R353 PolarHBondContact OD1-NH2 3.08Å; D5-R353 IonicContact OD2-CZ 3.74Å; D5-R353 IonicContact OD2-NH1 3.16Å; D5-R353 PolarHBondContact OD2-NH1 3.02Å; D5-R353 IonicContact OD2-NH2 3.67Å; D5-R353 PolarHBondContact OD2-NH2 2.87Å; F313-R353 HydrophobicContact CE2-CB 3.91Å; F313-R353 HydrophobicContact CE2-CG 4.26Å; F313-R353 HydrophobicContact CZ-CB 4.27Å; F313-R353 HydrophobicContact CZ-CG 4.12Å; L314-R353 WeakPolarHBondContact O-CA 3.47Å; A342-R353 HydrophobicContact CB-CB 4.13Å; A342-R353 PolarHBondContact N-O 3Å; R353-W355 HydrophobicContact CB-CH2 4.14Å; R353-W355 HydrophobicContact CB-CZ3 4.19Å
354	G	93.7	Very high	89.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.6	178.7	0	0	0	0	0	112.6	F313 L314 S340	F313-G354 WeakPolarHBondContact CD2-O 3.16Å; L314-G354 PolarHBondContact N-O 2.94Å; L314-G354 PolarHBondContact O-N 3.14Å; S340-G354 CarbonylContact O-C 3.59Å; S340-G354 VanDerWaalsContact O-CA 3.23Å; S340-G354 WeakPolarHBondContact O-CA 3.08Å
355	W	95.4	Very high	89.7	Confident	37 Å²	37	69 Å²	69	14%	0.14	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.3	169.6	-65.6	-102.3	0	0	0	108.9	I312 F313 V339 S340 A342 R353 M546 P547	I312-W355 CarbonylContact O-C 3.43Å; I312-W355 WeakPolarHBondContact O-CA 3.47Å; F313-W355 HydrophobicContact CD2-CD2 4.16Å; F313-W355 AromaticContact CD2-CE2 3.59Å; F313-W355 HydrophobicContact CD2-CG 4.43Å; F313-W355 AromaticContact CD2-CZ2 3.93Å; F313-W355 HydrophobicContact CD2-CZ2 3.93Å; F313-W355 AromaticContact CD2-NE1 3.51Å; F313-W355 AromaticContact CE2-CE2 3.85Å; F313-W355 HydrophobicContact CE2-CH2 4.23Å; F313-W355 AromaticContact CE2-CZ2 3.66Å; F313-W355 HydrophobicContact CE2-CZ2 3.66Å; V339-W355 CarbonylContact C-O 3.57Å; V339-W355 WeakPolarHBondContact CA-O 3.3Å; S340-W355 PolarHBondContact N-O 3.2Å; S340-W355 PolarHBondContact O-N 3.4Å; A342-W355 HydrophobicContact CB-CH2 4.35Å; A342-W355 HydrophobicContact CB-CZ3 3.91Å; R353-W355 HydrophobicContact CB-CH2 4.14Å; R353-W355 HydrophobicContact CB-CZ3 4.19Å; W355-M546 HydrophobicContact CB-CE 3.96Å; W355-M546 HydrophobicContact CD2-CE 3.58Å; W355-M546 HydrophobicContact CD2-SD 4.16Å; W355-M546 HydrophobicContact CE3-CE 3.28Å; W355-M546 HydrophobicContact CE3-SD 4.13Å; W355-M546 HydrophobicContact CG-CE 3.89Å; W355-M546 HydrophobicContact CZ3-CE 3.95Å; W355-M546 HydrophobicContact CZ3-SD 4.45Å; W355-P547 HydrophobicContact CB-CG 3.94Å; W355-P547 HydrophobicContact CG-CG 4.31Å
356	V	95.3	Very high	90	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.7	174.3	-172	0	0	0	0	107.7	S311 I312 L314 F330 F336 V339 F358	S311-V356 CarbonylContact C-O 3.59Å; S311-V356 WeakPolarHBondContact CA-O 3.45Å; S311-V356 WeakPolarHBondContact CB-O 3.35Å; I312-V356 HydrophobicContact CB-CB 4.44Å; I312-V356 PolarHBondContact N-O 3.37Å; I312-V356 PolarHBondContact O-N 3.44Å; L314-V356 HydrophobicContact CD1-CG2 3.87Å; L314-V356 HydrophobicContact CG-CG2 4.32Å; F330-V356 HydrophobicContact CB-CG1 3.91Å; F330-V356 HydrophobicContact CD1-CB 4.37Å; F330-V356 HydrophobicContact CD1-CG1 3.75Å; F330-V356 HydrophobicContact CD1-CG2 4.27Å; F330-V356 HydrophobicContact CD2-CG1 4.18Å; F330-V356 HydrophobicContact CD2-CG2 3.78Å; F330-V356 HydrophobicContact CE1-CB 4.31Å; F330-V356 HydrophobicContact CE1-CG1 4.18Å; F330-V356 HydrophobicContact CE1-CG2 4.01Å; F330-V356 HydrophobicContact CE2-CG2 3.65Å; F330-V356 HydrophobicContact CG-CB 4.47Å; F330-V356 HydrophobicContact CG-CG1 3.7Å; F330-V356 HydrophobicContact CG-CG2 4.12Å; F330-V356 HydrophobicContact CZ-CG2 3.76Å; F336-V356 HydrophobicContact CD2-CG1 3.95Å; F336-V356 HydrophobicContact CE2-CG1 3.81Å; V339-V356 HydrophobicContact CG2-CG1 4.33Å; V339-V356 HydrophobicContact CG2-CG2 4.26Å; V356-F358 HydrophobicContact CB-CE2 4.11Å; V356-F358 HydrophobicContact CG1-CD2 4.21Å; V356-F358 HydrophobicContact CG1-CE2 3.45Å; V356-F358 VanDerWaalsContact CG1-CE2 3.45Å; V356-F358 HydrophobicContact CG1-CZ 3.86Å
357	T	94.7	Very high	90.3	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.9	-175.2	-48.4	0	0	0	0	110.1	T309 L337 R338 P547	T309-T357 HydrophobicContact CG2-CG2 3.98Å; L337-T357 WeakPolarHBondContact CB-O 3.29Å; L337-T357 HydrophobicContact CD1-CG2 4.17Å; L337-T357 PolarHBondContact N-O 2.9Å; R338-T357 PolarHBondContact N-O 3.25Å; R338-T357 PolarHBondContact O-N 2.91Å; T357-P547 HydrophobicContact CG2-CB 4.11Å; T357-P547 WeakPolarHBondContact OG1-CA 3.17Å; T357-P547 WeakPolarHBondContact OG1-CG 3.24Å
358	F	94.3	Very high	90.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	160.4	177.8	-69	-89.4	0	0	0	110.5	S310 I312 F330 G335 F336 V356 V362 V364 I367	S310-F358 PolarHBondContact N-O 2.85Å; S310-F358 WeakPolarHBondContact O-CA 3.36Å; S310-F358 PolarHBondContact O-N 2.88Å; S310-F358 VanDerWaalsContact O-O 3.12Å; I312-F358 HydrophobicContact CD1-CE2 3.85Å; I312-F358 HydrophobicContact CG1-CE2 4.23Å; F330-F358 HydrophobicContact CD1-CE2 4.28Å; F330-F358 AromaticContact CD1-CZ 3.86Å; F330-F358 HydrophobicContact CD1-CZ 3.86Å; G335-F358 CarbonylContact O-C 3.22Å; G335-F358 VanDerWaalsContact O-CA 3.3Å; G335-F358 WeakPolarHBondContact O-CA 3.5Å; F336-F358 HydrophobicContact CB-CD1 4.33Å; F336-F358 HydrophobicContact CB-CE1 3.98Å; F336-F358 HydrophobicContact CD2-CE1 4.39Å; F336-F358 HydrophobicContact CD2-CZ 4.44Å; V356-F358 HydrophobicContact CB-CE2 4.11Å; V356-F358 HydrophobicContact CG1-CD2 4.21Å; V356-F358 HydrophobicContact CG1-CE2 3.45Å; V356-F358 VanDerWaalsContact CG1-CE2 3.45Å; V356-F358 HydrophobicContact CG1-CZ 3.86Å; F358-V362 HydrophobicContact CB-CB 4.33Å; F358-V362 HydrophobicContact CD1-CG1 4.31Å; F358-V364 HydrophobicContact CB-CG1 4.06Å; F358-V364 HydrophobicContact CD2-CG1 3.99Å; F358-V364 HydrophobicContact CG-CG1 4.18Å; F358-I367 HydrophobicContact CD1-CD1 4.2Å; F358-I367 HydrophobicContact CE1-CD1 3.87Å; F358-I367 HydrophobicContact CZ-CD1 4.07Å; F358-I367 HydrophobicContact CZ-CG2 4.29Å
359	R	91.9	Very high	90.9	Very high	148 Å²	148	66.7 Å²	66.7	56%	0.558	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	149.7	167.1	-65.3	-176.7	-179.1	-170	-1.9	110.7	G335 L337 E361 V362	G335-R359 PolarHBondContact O-N 3.22Å; L337-R359 HydrophobicContact CD1-CG 4.22Å; L337-R359 HydrophobicContact CD2-CG 3.88Å; L337-R359 HydrophobicContact CG-CG 4.13Å; R359-E361 PolarHBondContact O-N 3.22Å; R359-V362 HydrophobicContact CB-CG2 4.29Å; R359-V362 PolarHBondContact O-N 3.02Å
360	R	89.6	Confident	91.1	Very high	101 Å²	101	60.6 Å²	60.6	38%	0.381	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.7	-176.6	-173.6	55.4	176.4	-170.8	-4.5	113.9	R308 S310 V362 D388	R308-R360 HydrophobicContact CB-CB 4.48Å; R308-R360 HydrophobicContact CB-CG 4.25Å; S310-R360 WeakPolarHBondContact OG-CD 3.3Å; R360-V362 PolarHBondContact O-N 3.43Å; R360-D388 IonicContact CZ-OD2 3.86Å; R360-D388 IonicContact NH1-OD1 3.58Å; R360-D388 IonicContact NH1-OD2 2.67Å; R360-D388 PolarHBondContact NH1-OD2 3.2Å; R360-D388 IonicContact NH2-OD2 2.86Å; R360-D388 PolarHBondContact NH2-OD2 2.95Å
361	E	87.4	Confident	91.1	Very high	133 Å²	133	60.1 Å²	60.1	62%	0.621	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.4	-177.6	-58.8	178.2	172.6	0	0	113.9	R359	R359-E361 PolarHBondContact O-N 3.22Å
362	V	90.2	Very high	90.7	Very high	24 Å²	24	59.9 Å²	59.9	15%	0.145	27%	0.274	C	S	.	.	S	Bend	trans	-82.9	132.9	-174.2	-177.9	0	0	0	0	111.1	F358 R359 R360 V364 I367	F358-V362 HydrophobicContact CB-CB 4.33Å; F358-V362 HydrophobicContact CD1-CG1 4.31Å; R359-V362 HydrophobicContact CB-CG2 4.29Å; R359-V362 PolarHBondContact O-N 3.02Å; R360-V362 PolarHBondContact O-N 3.43Å; V362-V364 VanDerWaalsContact C-N 3.32Å; V362-V364 PolarHBondContact O-N 2.66Å; V362-I367 HydrophobicContact CG1-CD1 3.44Å; V362-I367 VanDerWaalsContact CG1-CD1 3.44Å
363	N	89.7	Confident	90.1	Very high	77 Å²	77	64 Å²	64	41%	0.412	30%	0.304	S	S	.	.			trans	-74.2	82.8	173.2	-166.8	-5.2	0	0	0	111.6	K365 E366 I367	N363-K365 PolarHBondContact O-N 3.36Å; N363-K365 VanDerWaalsContact O-N 3.15Å; N363-K365 WeakPolarHBondContact OD1-CB 3.46Å; N363-K365 PolarHBondContact OD1-N 3.26Å; N363-E366 HydrophobicContact CB-CG 4.44Å; N363-E366 VanDerWaalsContact ND2-CD 3.27Å; N363-E366 WeakPolarHBondContact ND2-CG 3.39Å; N363-E366 PolarHBondContact ND2-OE1 3.2Å; N363-E366 PolarHBondContact O-N 3.38Å; N363-I367 PolarHBondContact O-N 3.45Å
364	V	91.7	Very high	89.6	Confident	13 Å²	13	64.8 Å²	64.8	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-18.7	-179.9	-66.6	0	0	0	0	113.8	I312 F358 V362 C368 V385	I312-V364 HydrophobicContact CG1-CB 4.23Å; F358-V364 HydrophobicContact CB-CG1 4.06Å; F358-V364 HydrophobicContact CD2-CG1 3.99Å; F358-V364 HydrophobicContact CG-CG1 4.18Å; V362-V364 VanDerWaalsContact C-N 3.32Å; V362-V364 PolarHBondContact O-N 2.66Å; V364-C368 VanDerWaalsContact O-CB 3.24Å; V364-C368 WeakPolarHBondContact O-CB 3.49Å; V364-C368 PolarHBondContact O-N 3.19Å; V364-V385 HydrophobicContact CG2-CG1 3.89Å
365	K	91.5	Very high	89.1	Confident	153 Å²	153	72.3 Å²	72.3	67%	0.665	34%	0.339	S	S	*	.	H	α-helix	trans	-67.3	-42.4	175.9	-65.2	-178.2	177.8	-177.9	0	111.3	N363 C368 W369 V385	N363-K365 PolarHBondContact O-N 3.36Å; N363-K365 VanDerWaalsContact O-N 3.15Å; N363-K365 WeakPolarHBondContact OD1-CB 3.46Å; N363-K365 PolarHBondContact OD1-N 3.26Å; K365-C368 PolarHBondContact O-N 2.98Å; K365-W369 PolarHBondContact O-N 3.28Å; K365-V385 HydrophobicContact CG-CG2 4.23Å
366	E	91.3	Very high	88.5	Confident	118 Å²	118	71.8 Å²	71.8	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-65.5	-42.9	176	-73.2	172.8	-157.9	0	0	111.4	N363 C368 W369 N370	N363-E366 HydrophobicContact CB-CG 4.44Å; N363-E366 VanDerWaalsContact ND2-CD 3.27Å; N363-E366 WeakPolarHBondContact ND2-CG 3.39Å; N363-E366 PolarHBondContact ND2-OE1 3.2Å; N363-E366 PolarHBondContact O-N 3.38Å; E366-C368 PolarHBondContact O-N 3.49Å; E366-W369 PolarHBondContact O-N 3.3Å; E366-N370 VanDerWaalsContact O-CG 3.28Å; E366-N370 PolarHBondContact O-N 3.44Å; E366-N370 PolarHBondContact O-ND2 3.27Å
367	I	90.9	Very high	88	Confident	11 Å²	11	76.5 Å²	76.5	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-47.4	175.9	-60.6	177.1	0	0	0	109.9	I312 Y333 F358 V362 N363 W369 N370 L371	I312-I367 HydrophobicContact CD1-CB 4.02Å; I312-I367 HydrophobicContact CD1-CG2 3.59Å; Y333-I367 HydrophobicContact CD1-CD1 4.2Å; Y333-I367 HydrophobicContact CD1-CG1 3.88Å; Y333-I367 HydrophobicContact CD1-CG2 4.12Å; Y333-I367 HydrophobicContact CD2-CG2 4.1Å; Y333-I367 HydrophobicContact CE1-CG1 4.35Å; Y333-I367 HydrophobicContact CE1-CG2 4.17Å; Y333-I367 HydrophobicContact CE2-CG2 4.15Å; Y333-I367 HydrophobicContact CG-CD1 4.18Å; Y333-I367 HydrophobicContact CG-CG1 4.29Å; Y333-I367 HydrophobicContact CG-CG2 4.08Å; F358-I367 HydrophobicContact CD1-CD1 4.2Å; F358-I367 HydrophobicContact CE1-CD1 3.87Å; F358-I367 HydrophobicContact CZ-CD1 4.07Å; F358-I367 HydrophobicContact CZ-CG2 4.29Å; V362-I367 HydrophobicContact CG1-CD1 3.44Å; V362-I367 VanDerWaalsContact CG1-CD1 3.44Å; N363-I367 PolarHBondContact O-N 3.45Å; I367-W369 VanDerWaalsContact C-N 3.31Å; I367-W369 PolarHBondContact O-N 3.23Å; I367-N370 PolarHBondContact O-N 3.09Å; I367-L371 HydrophobicContact CG2-CD1 3.67Å; I367-L371 HydrophobicContact CG2-CG 4.41Å; I367-L371 VanDerWaalsContact O-CD1 3.31Å; I367-L371 WeakPolarHBondContact O-CD1 3.41Å; I367-L371 WeakPolarHBondContact O-CG 3.38Å; I367-L371 PolarHBondContact O-N 3.07Å
368	C	90.9	Very high	87.3	Confident	17 Å²	17	83.8 Å²	83.8	12%	0.115	40%	0.399	C	S	.	.	H	α-helix	trans	-60.3	-38.7	177.7	-169.3	0	0	0	0	112.5	I312 V364 K365 E366 L371 S372 A383 V385	I312-C368 HydrophobicContact CD1-CB 4.43Å; V364-C368 VanDerWaalsContact O-CB 3.24Å; V364-C368 WeakPolarHBondContact O-CB 3.49Å; V364-C368 PolarHBondContact O-N 3.19Å; K365-C368 PolarHBondContact O-N 2.98Å; E366-C368 PolarHBondContact O-N 3.49Å; C368-L371 PolarHBondContact O-N 3.48Å; C368-S372 PolarHBondContact O-N 3.42Å; C368-A383 PolarHBondContact SG-O 3.07Å; C368-A383 VanDerWaalsContact SG-O 3.4Å; C368-V385 HydrophobicContact CB-CG2 3.78Å
369	W	88.3	Confident	86.8	Confident	199 Å²	199	84.3 Å²	84.3	75%	0.754	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-46.6	175.8	-173.9	-97.3	0	0	0	111.6	K365 E366 I367 L371 S372	K365-W369 PolarHBondContact O-N 3.28Å; E366-W369 PolarHBondContact O-N 3.3Å; I367-W369 VanDerWaalsContact C-N 3.31Å; I367-W369 PolarHBondContact O-N 3.23Å; W369-L371 PolarHBondContact O-N 3.31Å; W369-S372 WeakPolarHBondContact O-CB 3.47Å; W369-S372 PolarHBondContact O-N 3.21Å; W369-S372 PolarHBondContact O-OG 2.99Å
370	N	87.6	Confident	86.5	Confident	82 Å²	82	81 Å²	81	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-28.1	178.9	-69.2	-23.7	0	0	0	113.3	E366 I367 S373	E366-N370 VanDerWaalsContact O-CG 3.28Å; E366-N370 PolarHBondContact O-N 3.44Å; E366-N370 PolarHBondContact O-ND2 3.27Å; I367-N370 PolarHBondContact O-N 3.09Å; N370-S373 PolarHBondContact O-OG 3.47Å
371	L	85.1	Confident	86.4	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-81.5	-17	179.1	-68.9	162.8	0	0	0	113.7	I312 L329 F330 Y333 I367 C368 W369 S373 I374 A383	I312-L371 HydrophobicContact CD1-CD1 4.16Å; L329-L371 HydrophobicContact CD2-CD2 3.43Å; L329-L371 VanDerWaalsContact CD2-CD2 3.43Å; F330-L371 HydrophobicContact CD1-CD1 4.14Å; F330-L371 HydrophobicContact CE1-CD1 3.18Å; F330-L371 HydrophobicContact CE1-CD2 4.14Å; F330-L371 HydrophobicContact CE1-CG 4.31Å; F330-L371 HydrophobicContact CZ-CD1 3.64Å; F330-L371 HydrophobicContact CZ-CD2 4.19Å; Y333-L371 HydrophobicContact CE2-CD2 4.27Å; I367-L371 HydrophobicContact CG2-CD1 3.67Å; I367-L371 HydrophobicContact CG2-CG 4.41Å; I367-L371 VanDerWaalsContact O-CD1 3.31Å; I367-L371 WeakPolarHBondContact O-CD1 3.41Å; I367-L371 WeakPolarHBondContact O-CG 3.38Å; I367-L371 PolarHBondContact O-N 3.07Å; C368-L371 PolarHBondContact O-N 3.48Å; W369-L371 PolarHBondContact O-N 3.31Å; L371-S373 PolarHBondContact O-N 3.38Å; L371-I374 HydrophobicContact CD2-CD1 4.17Å; L371-I374 PolarHBondContact O-N 3.34Å; L371-I374 VanDerWaalsContact O-N 3.11Å; L371-A383 HydrophobicContact CB-CB 4.31Å
372	S	80.2	Confident	86.4	Confident	85 Å²	85	71.7 Å²	71.7	59%	0.594	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.9	-178.3	68.1	0	0	0	0	113.2	C368 W369	C368-S372 PolarHBondContact O-N 3.42Å; W369-S372 WeakPolarHBondContact O-CB 3.47Å; W369-S372 PolarHBondContact O-N 3.21Å; W369-S372 PolarHBondContact O-OG 2.99Å
373	S	78.9	Confident	86.4	Confident	97 Å²	97	71.6 Å²	71.6	68%	0.678	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.3	177.8	58.8	0	0	0	0	114.2	N370 L371	N370-S373 PolarHBondContact O-OG 3.47Å; L371-S373 PolarHBondContact O-N 3.38Å
374	I	82.9	Confident	86.6	Confident	61 Å²	61	71.8 Å²	71.8	31%	0.313	37%	0.368	S	S	.	.			trans	-96.9	123.1	-173.8	-64.2	172	0	0	0	110.2	L329 L371 V376	L329-I374 HydrophobicContact CD1-CG2 4.17Å; L371-I374 HydrophobicContact CD2-CD1 4.17Å; L371-I374 PolarHBondContact O-N 3.34Å; L371-I374 VanDerWaalsContact O-N 3.11Å; I374-V376 HydrophobicContact CG2-CG2 4.42Å
375	R	84	Confident	86.6	Confident	159 Å²	159	73.9 Å²	73.9	60%	0.6	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.7	170.3	-71.7	-179	171.8	-171.6	-7.5	110.6	D380	R375-D380 WeakPolarHBondContact CD-OD1 3.12Å; R375-D380 WeakPolarHBondContact CG-OD1 3.21Å; R375-D380 IonicContact CZ-OD1 3.14Å; R375-D380 IonicContact CZ-OD2 2.72Å; R375-D380 IonicContact NE-OD1 2.67Å; R375-D380 PolarHBondContact NE-OD1 3.18Å; R375-D380 IonicContact NE-OD2 2.81Å; R375-D380 IonicContact NH2-OD1 3.68Å; R375-D380 PolarHBondContact NH2-OD1 3.26Å; R375-D380 IonicContact NH2-OD2 2.84Å; R375-D380 PolarHBondContact NH2-OD2 2.88Å
376	V	83	Confident	86.7	Confident	25 Å²	25	68.3 Å²	68.3	15%	0.152	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.3	176	-178.4	0	0	0	0	107.8	I321 L329 I374 D378 C379 L381	I321-V376 HydrophobicContact CD1-CB 4.35Å; I321-V376 HydrophobicContact CD1-CG1 4.23Å; I321-V376 HydrophobicContact CG1-CG1 4.4Å; I321-V376 HydrophobicContact CG2-CG1 4.31Å; L329-V376 HydrophobicContact CD1-CG2 3.44Å; L329-V376 VanDerWaalsContact CD1-CG2 3.44Å; I374-V376 HydrophobicContact CG2-CG2 4.42Å; V376-D378 VanDerWaalsContact C-N 3.27Å; V376-D378 PolarHBondContact O-N 2.87Å; V376-C379 PolarHBondContact N-O 3.06Å; V376-C379 VanDerWaalsContact N-O 3.11Å; V376-C379 VanDerWaalsContact O-CB 3.28Å; V376-C379 WeakPolarHBondContact O-CB 3.43Å; V376-C379 PolarHBondContact O-N 3.38Å; V376-L381 HydrophobicContact CB-CD2 4.24Å; V376-L381 HydrophobicContact CG2-CD1 3.98Å; V376-L381 HydrophobicContact CG2-CD2 4.11Å; V376-L381 HydrophobicContact CG2-CG 4.24Å
377	K	83.2	Confident	86.7	Confident	100 Å²	100	68.4 Å²	68.4	44%	0.435	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	48.6	-174.6	-59.8	-176.8	-178	173.8	0	112.3	N320 I321 E325 C379	N320-K377 PolarHBondContact O-NZ 3.36Å; I321-K377 HydrophobicContact CG1-CD 4.35Å; E325-K377 WeakPolarHBondContact OE1-CE 3.43Å; E325-K377 IonicContact OE1-NZ 2.69Å; E325-K377 PolarHBondContact OE1-NZ 2.69Å; E325-K377 VanDerWaalsContact OE2-CE 3.23Å; E325-K377 WeakPolarHBondContact OE2-CE 3.5Å; E325-K377 IonicContact OE2-NZ 2.88Å; E325-K377 PolarHBondContact OE2-NZ 3.1Å; K377-C379 PolarHBondContact O-N 3.07Å
378	D	81.2	Confident	86.6	Confident	152 Å²	152	70.9 Å²	70.9	81%	0.813	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	10	-177.3	-52.7	-47.7	0	0	0	115.9	V376	V376-D378 VanDerWaalsContact C-N 3.27Å; V376-D378 PolarHBondContact O-N 2.87Å
379	C	82.8	Confident	86.3	Confident	12 Å²	12	73 Å²	73	8%	0.081	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.7	174.9	-169.7	0	0	0	0	111.4	A318 I321 V376 K377 L381	A318-C379 HydrophobicContact CB-CB 4.3Å; I321-C379 HydrophobicContact CD1-CB 3.84Å; V376-C379 PolarHBondContact N-O 3.06Å; V376-C379 VanDerWaalsContact N-O 3.11Å; V376-C379 VanDerWaalsContact O-CB 3.28Å; V376-C379 WeakPolarHBondContact O-CB 3.43Å; V376-C379 PolarHBondContact O-N 3.38Å; K377-C379 PolarHBondContact O-N 3.07Å; C379-L381 PolarHBondContact O-N 2.64Å
380	D	87.1	Confident	86.2	Confident	77 Å²	77	67.5 Å²	67.5	41%	0.412	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.9	166.4	-72	-36.5	0	0	0	109.4	R375 G382	R375-D380 WeakPolarHBondContact CD-OD1 3.12Å; R375-D380 WeakPolarHBondContact CG-OD1 3.21Å; R375-D380 IonicContact CZ-OD1 3.14Å; R375-D380 IonicContact CZ-OD2 2.72Å; R375-D380 IonicContact NE-OD1 2.67Å; R375-D380 PolarHBondContact NE-OD1 3.18Å; R375-D380 IonicContact NE-OD2 2.81Å; R375-D380 IonicContact NH2-OD1 3.68Å; R375-D380 PolarHBondContact NH2-OD1 3.26Å; R375-D380 IonicContact NH2-OD2 2.84Å; R375-D380 PolarHBondContact NH2-OD2 2.88Å; D380-G382 PolarHBondContact O-N 2.89Å
381	L	86	Confident	86.1	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.031	37%	0.37	C	S	.	.			trans	-64.5	-24.6	-174.2	-61.5	175.3	0	0	0	113.4	L314 R315 N316 L317 L329 V376 C379	L314-L381 HydrophobicContact CD2-CB 4.37Å; R315-L381 PolarHBondContact N-O 2.8Å; N316-L381 PolarHBondContact N-O 2.83Å; L317-L381 HydrophobicContact CD2-CD2 3.51Å; L329-L381 HydrophobicContact CD1-CD1 4.41Å; V376-L381 HydrophobicContact CB-CD2 4.24Å; V376-L381 HydrophobicContact CG2-CD1 3.98Å; V376-L381 HydrophobicContact CG2-CD2 4.11Å; V376-L381 HydrophobicContact CG2-CG 4.24Å; C379-L381 PolarHBondContact O-N 2.64Å
382	G	87.6	Confident	86.4	Confident	33 Å²	33	72.2 Å²	72.2	34%	0.34	38%	0.377	S	S	.	.			trans	58.7	50.7	-177	0	0	0	0	0	112.2	R315 D380	R315-G382 PolarHBondContact N-O 2.86Å; D380-G382 PolarHBondContact O-N 2.89Å
383	A	91.4	Very high	86.9	Confident	22 Å²	22	69.6 Å²	69.6	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.7	-178.9	0	0	0	0	0	111.6	I312 F313 L314 C368 L371	I312-A383 HydrophobicContact CG2-CB 3.92Å; F313-A383 CarbonylContact O-C 3.5Å; F313-A383 WeakPolarHBondContact O-CA 3.47Å; L314-A383 HydrophobicContact CD2-CB 3.82Å; C368-A383 PolarHBondContact SG-O 3.07Å; C368-A383 VanDerWaalsContact SG-O 3.4Å; L371-A383 HydrophobicContact CB-CB 4.31Å
384	I	92.6	Very high	87.6	Confident	81 Å²	81	68.8 Å²	68.8	42%	0.415	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.7	179.6	-57.8	172.5	0	0	0	107.8	I312 F313 N386	I312-I384 CarbonylContact C-O 3.57Å; F313-I384 PolarHBondContact N-O 2.83Å; F313-I384 PolarHBondContact O-N 2.75Å; I384-N386 PolarHBondContact O-N 2.96Å
385	V	93.2	Very high	88	Confident	58 Å²	58	68.1 Å²	68.1	35%	0.352	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123	173.3	-179.9	0	0	0	0	109.4	V364 K365 C368	V364-V385 HydrophobicContact CG2-CG1 3.89Å; K365-V385 HydrophobicContact CG-CG2 4.23Å; C368-V385 HydrophobicContact CB-CG2 3.78Å
386	N	92.4	Very high	88.3	Confident	36 Å²	36	62.2 Å²	62.2	19%	0.193	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.2	-179.8	-172.7	34	0	0	0	109.9	S311 F313 I384	S311-N386 WeakPolarHBondContact O-CB 3.44Å; S311-N386 PolarHBondContact O-N 3.25Å; S311-N386 WeakPolarHBondContact OG-CB 3.24Å; S311-N386 PolarHBondContact OG-ND2 3.18Å; F313-N386 HydrophobicContact CB-CB 4.21Å; I384-N386 PolarHBondContact O-N 2.96Å
387	R	91.1	Very high	88.6	Confident	120 Å²	120	64.7 Å²	64.7	45%	0.453	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-85.1	141.4	178.9	-160	179.8	90	171.4	8.7	110.3	C224 T390	C224-R387 PolarHBondContact SG-NH1 3.23Å; R387-T390 VanDerWaalsContact NH2-CG2 3.26Å; R387-T390 PolarHBondContact NH2-OG1 3.41Å
388	D	88.3	Confident	88.7	Confident	63 Å²	63	60.9 Å²	60.9	34%	0.337	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-61.9	150	173.8	-61.6	-29.6	0	0	0	110.9	R360 T390	R360-D388 IonicContact CZ-OD2 3.86Å; R360-D388 IonicContact NH1-OD1 3.58Å; R360-D388 IonicContact NH1-OD2 2.67Å; R360-D388 PolarHBondContact NH1-OD2 3.2Å; R360-D388 IonicContact NH2-OD2 2.86Å; R360-D388 PolarHBondContact NH2-OD2 2.95Å; D388-T390 PolarHBondContact O-N 2.9Å
389	L	86.3	Confident	89	Confident	60 Å²	60	54.1 Å²	54.1	31%	0.314	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-69.3	117	178.9	-68.7	173.8	0	0	0	109.8	R392 N548 L552	L389-R392 HydrophobicContact CB-CG 4.13Å; L389-N548 HydrophobicContact CD1-CB 4.24Å; L389-N548 WeakPolarHBondContact CD1-ND2 3.11Å; L389-N548 WeakPolarHBondContact CG-ND2 3.43Å; L389-L552 HydrophobicContact CD1-CD2 4.45Å; L389-L552 HydrophobicContact CD1-CG 4.27Å
390	T	84.6	Confident	89.2	Confident	85 Å²	85	53.6 Å²	53.6	52%	0.521	28%	0.282	S	S	.	.	S	Bend	trans	-80.6	-35.7	-179.6	50.3	0	0	0	0	113	R387 D388	R387-T390 VanDerWaalsContact NH2-CG2 3.26Å; R387-T390 PolarHBondContact NH2-OG1 3.41Å; D388-T390 PolarHBondContact O-N 2.9Å
391	R	86.5	Confident	89.1	Confident	141 Å²	141	50.7 Å²	50.7	53%	0.532	27%	0.269	S	S	.	.			trans	-119.8	87.3	-179.4	-68.6	-174.7	177.6	178.8	-0.2	110.6	E217 L552	E217-R391 IonicContact OE1-CZ 3.42Å; E217-R391 VanDerWaalsContact OE1-CZ 3.31Å; E217-R391 IonicContact OE1-NE 2.88Å; E217-R391 PolarHBondContact OE1-NE 2.95Å; E217-R391 VanDerWaalsContact OE1-NE 3.11Å; E217-R391 IonicContact OE1-NH2 3.59Å; E217-R391 PolarHBondContact OE1-NH2 2.49Å; E217-R391 IonicContact OE2-NH2 3.31Å; R391-L552 VanDerWaalsContact O-CD2 3.25Å; R391-L552 WeakPolarHBondContact O-CD2 3.41Å
392	R	90.5	Very high	89	Confident	43 Å²	43	53.1 Å²	53.1	16%	0.162	28%	0.28	C	S	.	.			trans	-73.6	-33.7	178.7	-69.8	-176.3	69.7	-171.9	7.7	112.9	D190 L389 C550 G551 L552 I553	D190-R392 IonicContact OD1-CZ 2.89Å; D190-R392 IonicContact OD1-NH1 3.44Å; D190-R392 PolarHBondContact OD1-NH1 3.13Å; D190-R392 IonicContact OD1-NH2 3.32Å; D190-R392 PolarHBondContact OD1-NH2 3.18Å; D190-R392 IonicContact OD2-NH1 2.63Å; L389-R392 HydrophobicContact CB-CG 4.13Å; R392-C550 PolarHBondContact NH2-O 3.49Å; R392-G551 PolarHBondContact NE-O 2.96Å; R392-G551 VanDerWaalsContact NE-O 3.13Å; R392-L552 WeakPolarHBondContact O-CA 3.19Å; R392-I553 PolarHBondContact O-N 3.02Å
393	I	92	Very high	88.7	Confident	31 Å²	31	56.3 Å²	56.3	16%	0.159	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.9	179.1	-64.1	-177	0	0	0	109.3	A182 L185 I186 I553 V555	A182-I393 VanDerWaalsContact CA-CD1 3.41Å; A182-I393 HydrophobicContact CB-CD1 3.62Å; A182-I393 HydrophobicContact CB-CG2 4.39Å; A182-I393 WeakPolarHBondContact O-CD1 3.38Å; L185-I393 HydrophobicContact CB-CD1 3.77Å; L185-I393 HydrophobicContact CD1-CD1 4.26Å; I186-I393 HydrophobicContact CD1-CD1 4.13Å; I186-I393 HydrophobicContact CG1-CD1 3.69Å; I186-I393 HydrophobicContact CG1-CG1 4.22Å; I393-I553 HydrophobicContact CG1-CG2 3.97Å; I393-V555 HydrophobicContact CG2-CB 4.31Å; I393-V555 HydrophobicContact CG2-CG1 3.86Å; I393-V555 HydrophobicContact CG2-CG2 3.44Å; I393-V555 VanDerWaalsContact CG2-CG2 3.44Å
394	R	92.4	Very high	88.4	Confident	80 Å²	80	56.8 Å²	56.8	30%	0.302	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.1	-179	-65.9	-179.5	179.7	-161.7	-6.7	109.9	E7 I553 H554 V555	E7-R394 IonicContact OE2-CZ 3.64Å; E7-R394 IonicContact OE2-NH1 3.7Å; E7-R394 IonicContact OE2-NH2 3.72Å; E7-R394 PolarHBondContact OE2-NH2 2.89Å; R394-I553 PolarHBondContact N-O 3.33Å; R394-H554 WeakPolarHBondContact CD-NE2 3.47Å; R394-H554 CarbonylContact O-C 3.59Å; R394-H554 WeakPolarHBondContact O-CA 3.45Å; R394-V555 PolarHBondContact O-N 2.93Å
395	A	91.8	Very high	88.2	Confident	46 Å²	46	53 Å²	53	38%	0.38	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.1	175.1	0	0	0	0	0	110.8	Q179 V555	Q179-A395 HydrophobicContact CG-CB 4.38Å; A395-V555 CarbonylContact C-O 3.58Å; A395-V555 WeakPolarHBondContact CA-O 3.42Å
396	V	91.5	Very high	87.9	Confident	36 Å²	36	50.4 Å²	50.4	22%	0.218	25%	0.254	C	S	.	.			trans	-90.6	179.9	166.9	-80.7	0	0	0	0	111.1	S398 T400 Y535 H554 V555 G557	V396-S398 PolarHBondContact O-N 3.48Å; V396-T400 HydrophobicContact CG2-CG2 4.15Å; V396-Y535 HydrophobicContact CG2-CD1 4.17Å; V396-Y535 HydrophobicContact CG2-CD2 4.39Å; V396-Y535 HydrophobicContact CG2-CG 3.89Å; V396-H554 HydrophobicContact CG1-CB 4.17Å; V396-V555 WeakPolarHBondContact CG2-O 3.22Å; V396-V555 PolarHBondContact N-O 3.46Å; V396-G557 WeakPolarHBondContact O-CA 3.33Å; V396-G557 PolarHBondContact O-N 2.97Å
397	N	88.4	Confident	87.6	Confident	77 Å²	77	49.7 Å²	49.7	41%	0.412	25%	0.25	S	C	.	.			trans	-53	135.5	177.5	-168.5	1.4	0	0	0	111.1	I399 T400	N397-I399 HydrophobicContact CB-CG2 4.15Å; N397-I399 WeakPolarHBondContact ND2-CG2 3.19Å; N397-I399 PolarHBondContact O-N 2.96Å; N397-I399 VanDerWaalsContact O-N 3.11Å; N397-T400 PolarHBondContact O-N 3Å; N397-T400 PolarHBondContact O-OG1 2.88Å
398	S	84.9	Confident	87.4	Confident	20 Å²	20	44.5 Å²	44.5	14%	0.14	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.6	-23.3	-178	54.8	0	0	0	0	114.1	V396 T400 G401 S558 S560	V396-S398 PolarHBondContact O-N 3.48Å; S398-T400 PolarHBondContact O-N 2.74Å; S398-T400 VanDerWaalsContact O-N 3.15Å; S398-G401 PolarHBondContact O-N 3.15Å; S398-G401 VanDerWaalsContact O-N 3.1Å; S398-S558 WeakPolarHBondContact CB-O 2.91Å; S398-S560 WeakPolarHBondContact OG-CB 3.4Å; S398-S560 PolarHBondContact OG-OG 2.91Å
399	I	87.4	Confident	87.6	Confident	9 Å²	9	41.5 Å²	41.5	5%	0.046	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62	-19.7	178.3	-162	161.8	0	0	0	113.6	N397 G401 H402 V405 Q563 F567 V568 F571	N397-I399 HydrophobicContact CB-CG2 4.15Å; N397-I399 WeakPolarHBondContact ND2-CG2 3.19Å; N397-I399 PolarHBondContact O-N 2.96Å; N397-I399 VanDerWaalsContact O-N 3.11Å; I399-G401 PolarHBondContact O-N 2.85Å; I399-H402 HydrophobicContact CG1-CB 4.37Å; I399-H402 WeakPolarHBondContact O-CB 3.26Å; I399-H402 PolarHBondContact O-N 3.35Å; I399-V405 HydrophobicContact CG1-CG2 4.32Å; I399-Q563 HydrophobicContact CD1-CB 4.4Å; I399-Q563 HydrophobicContact CD1-CG 4.29Å; I399-F567 HydrophobicContact CD1-CD1 3.36Å; I399-F567 HydrophobicContact CD1-CE1 3.39Å; I399-V568 HydrophobicContact CD1-CG2 3.98Å; I399-F571 HydrophobicContact CD1-CB 4.23Å; I399-F571 HydrophobicContact CD1-CG 4.41Å; I399-F571 HydrophobicContact CG2-CD1 3.82Å; I399-F571 HydrophobicContact CG2-CD2 3.58Å; I399-F571 HydrophobicContact CG2-CE1 3.76Å; I399-F571 HydrophobicContact CG2-CE2 3.5Å; I399-F571 VanDerWaalsContact CG2-CE2 3.5Å; I399-F571 HydrophobicContact CG2-CG 3.74Å; I399-F571 HydrophobicContact CG2-CZ 3.6Å
400	T	87.4	Confident	87.8	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.1	-19	175.5	55.7	0	0	0	0	112.9	V396 N397 S398 H402 M406 Y535 F571	V396-T400 HydrophobicContact CG2-CG2 4.15Å; N397-T400 PolarHBondContact O-N 3Å; N397-T400 PolarHBondContact O-OG1 2.88Å; S398-T400 PolarHBondContact O-N 2.74Å; S398-T400 VanDerWaalsContact O-N 3.15Å; T400-H402 VanDerWaalsContact C-N 3.33Å; T400-M406 WeakPolarHBondContact O-CG 3.45Å; T400-Y535 HydrophobicContact CG2-CD1 4.05Å; T400-Y535 HydrophobicContact CG2-CE1 3.99Å; T400-F571 HydrophobicContact CG2-CE1 4.1Å; T400-F571 HydrophobicContact CG2-CZ 3.78Å
401	G	84.1	Confident	88	Confident	15 Å²	15	40.4 Å²	40.4	16%	0.155	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-79.6	-7.1	169.5	0	0	0	0	0	114	S398 I399 F512	S398-G401 PolarHBondContact O-N 3.15Å; S398-G401 VanDerWaalsContact O-N 3.1Å; I399-G401 PolarHBondContact O-N 2.85Å; G401-F512 VanDerWaalsContact O-CE2 3.27Å; G401-F512 WeakPolarHBondContact O-CE2 3.46Å; G401-F512 WeakPolarHBondContact O-CZ 3.37Å
402	H	84.1	Confident	88.2	Confident	57 Å²	57	34.3 Å²	34.3	26%	0.264	17%	0.174	S	C	.	.	S	Bend	trans	-70	140	-176.9	-175.2	-93.1	0	0	0	112	I399 T400 A404 V405 M406	I399-H402 HydrophobicContact CG1-CB 4.37Å; I399-H402 WeakPolarHBondContact O-CB 3.26Å; I399-H402 PolarHBondContact O-N 3.35Å; T400-H402 VanDerWaalsContact C-N 3.33Å; H402-A404 PolarHBondContact ND1-N 3.28Å; H402-A404 PolarHBondContact O-N 3.01Å; H402-V405 HydrophobicContact CB-CB 4.34Å; H402-V405 HydrophobicContact CB-CG2 4.01Å; H402-V405 WeakPolarHBondContact O-CA 3.41Å; H402-V405 WeakPolarHBondContact O-CB 3.33Å; H402-V405 PolarHBondContact O-N 3.07Å; H402-M406 PolarHBondContact O-N 3.25Å
403	K	81.5	Confident	88.3	Confident	100 Å²	100	32.2 Å²	32.2	44%	0.435	17%	0.167	S	C	.	.	H	α-helix	trans	-48.9	-52.7	-175.9	-178.8	-173.5	173	-168.5	0	113.1	V405 M406 Q407 F512	K403-V405 VanDerWaalsContact C-N 3.28Å; K403-V405 PolarHBondContact O-N 3.42Å; K403-M406 PolarHBondContact O-N 3.4Å; K403-Q407 WeakPolarHBondContact O-CG 3.48Å; K403-Q407 PolarHBondContact O-N 2.93Å; K403-F512 HydrophobicContact CB-CD2 4.37Å; K403-F512 HydrophobicContact CB-CE2 4.36Å
404	A	85.4	Confident	88.3	Confident	33 Å²	33	30.8 Å²	30.8	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-63.6	-33.1	-179.5	0	0	0	0	0	113.1	H402 N408 V568	H402-A404 PolarHBondContact ND1-N 3.28Å; H402-A404 PolarHBondContact O-N 3.01Å; A404-N408 PolarHBondContact O-N 3.4Å; A404-V568 HydrophobicContact CB-CG1 4.25Å
405	V	88.4	Confident	88.1	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-72.4	-45.9	177.3	-178.1	0	0	0	0	109.7	I399 H402 K403 Q407 N408 D409 V568 F571 I572	I399-V405 HydrophobicContact CG1-CG2 4.32Å; H402-V405 HydrophobicContact CB-CB 4.34Å; H402-V405 HydrophobicContact CB-CG2 4.01Å; H402-V405 WeakPolarHBondContact O-CA 3.41Å; H402-V405 WeakPolarHBondContact O-CB 3.33Å; H402-V405 PolarHBondContact O-N 3.07Å; K403-V405 VanDerWaalsContact C-N 3.28Å; K403-V405 PolarHBondContact O-N 3.42Å; V405-Q407 PolarHBondContact O-N 3.1Å; V405-N408 PolarHBondContact O-N 3.18Å; V405-N408 VanDerWaalsContact O-N 3.17Å; V405-D409 WeakPolarHBondContact O-CB 3.4Å; V405-D409 VanDerWaalsContact O-CG 3.31Å; V405-D409 PolarHBondContact O-N 3.43Å; V405-V568 HydrophobicContact CG2-CG1 3.78Å; V405-F571 HydrophobicContact CG1-CD1 4.12Å; V405-F571 HydrophobicContact CG1-CE1 3.86Å; V405-F571 HydrophobicContact CG2-CD1 4.24Å; V405-I572 HydrophobicContact CG2-CD1 4.31Å; V405-I572 HydrophobicContact CG2-CG1 4.13Å
406	M	86.9	Confident	88.1	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-39.2	177.9	-68.8	-175.4	72.9	0	0	113	T400 H402 K403 D409 L410 F512 I519	T400-M406 WeakPolarHBondContact O-CG 3.45Å; H402-M406 PolarHBondContact O-N 3.25Å; K403-M406 PolarHBondContact O-N 3.4Å; M406-D409 PolarHBondContact O-N 2.72Å; M406-L410 WeakPolarHBondContact O-CB 3.46Å; M406-L410 PolarHBondContact O-N 3.18Å; M406-F512 HydrophobicContact SD-CE2 4.39Å; M406-F512 HydrophobicContact SD-CZ 4.23Å; M406-I519 HydrophobicContact CE-CG2 3.96Å
407	Q	85.3	Confident	88.1	Confident	22 Å²	22	27.7 Å²	27.7	10%	0.103	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-41.1	174.8	-74.2	169.6	-42.5	0	0	111.8	K403 V405 R411 E469 Y515	K403-Q407 WeakPolarHBondContact O-CG 3.48Å; K403-Q407 PolarHBondContact O-N 2.93Å; V405-Q407 PolarHBondContact O-N 3.1Å; Q407-R411 PolarHBondContact O-N 3.39Å; Q407-E469 PolarHBondContact NE2-OE1 3.06Å; Q407-E469 PolarHBondContact OE1-OE1 2.97Å; Q407-Y515 HydrophobicContact CG-CD1 4.38Å; Q407-Y515 HydrophobicContact CG-CE1 3.87Å; Q407-Y515 HydrophobicContact CG-CE2 4.28Å; Q407-Y515 PolarHBondContact NE2-OH 3.2Å
408	N	88.7	Confident	88.2	Confident	10 Å²	10	26.7 Å²	26.7	5%	0.053	13%	0.127	C	C	.	.	H	α-helix	trans	-68.4	-40.6	175.2	-169.4	58.8	0	0	0	111.7	A404 V405 L410 R411 H412 I572	A404-N408 PolarHBondContact O-N 3.4Å; V405-N408 PolarHBondContact O-N 3.18Å; V405-N408 VanDerWaalsContact O-N 3.17Å; N408-L410 VanDerWaalsContact C-N 3.33Å; N408-L410 PolarHBondContact O-N 3.48Å; N408-R411 WeakPolarHBondContact O-CB 3.2Å; N408-R411 PolarHBondContact O-N 3.04Å; N408-R411 VanDerWaalsContact OD1-CZ 3.3Å; N408-R411 PolarHBondContact OD1-NH1 3.45Å; N408-R411 PolarHBondContact OD1-NH2 2.84Å; N408-H412 PolarHBondContact ND2-CD2 2.69Å; N408-H412 VanDerWaalsContact ND2-CD2 3.29Å; N408-H412 PolarHBondContact ND2-NE2 3.03Å; N408-H412 PolarHBondContact O-CD2 2.88Å; N408-H412 PolarHBondContact O-N 3.45Å; N408-H412 VanDerWaalsContact O-N 3.15Å; N408-I572 HydrophobicContact CB-CD1 4.48Å; N408-I572 VanDerWaalsContact ND2-CG2 3.31Å; N408-I572 WeakPolarHBondContact ND2-CG2 3.36Å
409	D	91.7	Very high	88.3	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-41.2	176.2	-75.6	-21.8	0	0	0	111.3	V405 M406 R411 H412 V413 I519 Y534	V405-D409 WeakPolarHBondContact O-CB 3.4Å; V405-D409 VanDerWaalsContact O-CG 3.31Å; V405-D409 PolarHBondContact O-N 3.43Å; M406-D409 PolarHBondContact O-N 2.72Å; D409-R411 VanDerWaalsContact C-N 3.28Å; D409-R411 PolarHBondContact O-N 3.09Å; D409-H412 PolarHBondContact O-N 2.94Å; D409-H412 VanDerWaalsContact O-N 3.09Å; D409-V413 VanDerWaalsContact O-CB 3.31Å; D409-V413 WeakPolarHBondContact O-CB 3.42Å; D409-V413 WeakPolarHBondContact O-CG2 3.36Å; D409-V413 PolarHBondContact O-N 3.14Å; D409-I519 HydrophobicContact CB-CD1 3.62Å; D409-Y534 VanDerWaalsContact CA-OH 3.28Å; D409-Y534 WeakPolarHBondContact CA-OH 3.42Å; D409-Y534 HydrophobicContact CB-CE1 3.99Å; D409-Y534 WeakPolarHBondContact CB-OH 3.49Å; D409-Y534 VanDerWaalsContact CG-OH 3.28Å; D409-Y534 PolarHBondContact OD1-OH 3.05Å
410	L	90.1	Very high	88.5	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-42	175.9	-176.9	61.9	0	0	0	111.8	M406 N408 A414 I463 L467 Y515 V518 I519 L522	M406-L410 WeakPolarHBondContact O-CB 3.46Å; M406-L410 PolarHBondContact O-N 3.18Å; N408-L410 VanDerWaalsContact C-N 3.33Å; N408-L410 PolarHBondContact O-N 3.48Å; L410-A414 WeakPolarHBondContact O-CB 3.28Å; L410-A414 PolarHBondContact O-N 2.97Å; L410-A414 VanDerWaalsContact O-N 3.09Å; L410-I463 HydrophobicContact CD1-CD1 4.01Å; L410-I463 HydrophobicContact CD1-CG1 4.35Å; L410-L467 HydrophobicContact CB-CD2 4.37Å; L410-L467 HydrophobicContact CD2-CD2 4Å; L410-L467 HydrophobicContact CG-CD2 3.83Å; L410-Y515 HydrophobicContact CD2-CD1 4.2Å; L410-Y515 HydrophobicContact CD2-CE1 4.46Å; L410-V518 HydrophobicContact CD1-CG1 3.98Å; L410-I519 HydrophobicContact CB-CD1 4.45Å; L410-I519 HydrophobicContact CD1-CB 4.35Å; L410-I519 HydrophobicContact CD1-CG1 4.39Å; L410-L522 HydrophobicContact CD1-CD1 3.78Å
411	R	89.4	Confident	88.7	Confident	119 Å²	119	29.1 Å²	29.1	45%	0.449	14%	0.136	S	C	.	.	H	α-helix	trans	-59.9	-46.5	173.9	-77.5	-174.6	-92	116.7	-3.8	111.9	Q407 N408 D409 R415 F451 L467	Q407-R411 PolarHBondContact O-N 3.39Å; N408-R411 WeakPolarHBondContact O-CB 3.2Å; N408-R411 PolarHBondContact O-N 3.04Å; N408-R411 VanDerWaalsContact OD1-CZ 3.3Å; N408-R411 PolarHBondContact OD1-NH1 3.45Å; N408-R411 PolarHBondContact OD1-NH2 2.84Å; D409-R411 VanDerWaalsContact C-N 3.28Å; D409-R411 PolarHBondContact O-N 3.09Å; R411-R415 WeakPolarHBondContact O-CB 3.46Å; R411-R415 PolarHBondContact O-N 3.27Å; R411-F451 WeakPolarHBondContact O-CZ 3.49Å; R411-L467 HydrophobicContact CB-CD2 4.34Å; R411-L467 HydrophobicContact CG-CD2 3.48Å; R411-L467 VanDerWaalsContact CG-CD2 3.48Å
412	H	90.8	Very high	88.9	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.06	16%	0.162	C	C	.	.	H	α-helix	trans	-72.1	-47.5	-178.3	-66.6	-56.4	0	0	0	112.8	N408 D409 A414 R415 L416 Y534 E576 L579	N408-H412 PolarHBondContact ND2-CD2 2.69Å; N408-H412 VanDerWaalsContact ND2-CD2 3.29Å; N408-H412 PolarHBondContact ND2-NE2 3.03Å; N408-H412 PolarHBondContact O-CD2 2.88Å; N408-H412 PolarHBondContact O-N 3.45Å; N408-H412 VanDerWaalsContact O-N 3.15Å; D409-H412 PolarHBondContact O-N 2.94Å; D409-H412 VanDerWaalsContact O-N 3.09Å; H412-A414 VanDerWaalsContact C-N 3.3Å; H412-A414 PolarHBondContact O-N 3.16Å; H412-R415 PolarHBondContact O-N 3.34Å; H412-R415 VanDerWaalsContact O-N 3.15Å; H412-L416 WeakPolarHBondContact O-CG 3.45Å; H412-L416 PolarHBondContact O-N 3.3Å; H412-Y534 HydrophobicContact CB-CE2 4.32Å; H412-E576 IonicContact CE1-OE1 2.93Å; H412-L579 HydrophobicContact CB-CD1 4.1Å
413	V	92.4	Very high	88.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-54.9	-48.8	178.3	168.8	0	0	0	0	110.1	D409 R415 L416 V417 I519 L522 L523 L526 Y534	D409-V413 VanDerWaalsContact O-CB 3.31Å; D409-V413 WeakPolarHBondContact O-CB 3.42Å; D409-V413 WeakPolarHBondContact O-CG2 3.36Å; D409-V413 PolarHBondContact O-N 3.14Å; V413-R415 VanDerWaalsContact C-N 3.27Å; V413-R415 PolarHBondContact O-N 3.34Å; V413-L416 WeakPolarHBondContact O-CB 3.44Å; V413-L416 PolarHBondContact O-N 3.09Å; V413-V417 WeakPolarHBondContact O-CG2 3.5Å; V413-V417 PolarHBondContact O-N 3.42Å; V413-I519 HydrophobicContact CG2-CD1 4.41Å; V413-I519 HydrophobicContact CG2-CG1 4.36Å; V413-L522 HydrophobicContact CG1-CB 3.48Å; V413-L522 VanDerWaalsContact CG1-CB 3.48Å; V413-L522 HydrophobicContact CG1-CD1 4.32Å; V413-L522 HydrophobicContact CG1-CG 4.49Å; V413-L523 HydrophobicContact CG1-CD2 4.26Å; V413-L523 HydrophobicContact CG1-CG 4.44Å; V413-L523 HydrophobicContact CG2-CD2 3.49Å; V413-L523 VanDerWaalsContact CG2-CD2 3.49Å; V413-L523 HydrophobicContact CG2-CG 4.18Å; V413-L526 HydrophobicContact CG1-CD1 3.91Å; V413-Y534 HydrophobicContact CB-CE2 4.49Å; V413-Y534 HydrophobicContact CG2-CD1 4.17Å; V413-Y534 HydrophobicContact CG2-CD2 3.67Å; V413-Y534 HydrophobicContact CG2-CE1 3.94Å; V413-Y534 HydrophobicContact CG2-CE2 3.41Å; V413-Y534 VanDerWaalsContact CG2-CE2 3.41Å; V413-Y534 HydrophobicContact CG2-CG 4.04Å
414	A	90.9	Very high	89.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.9	-25.8	-175	0	0	0	0	0	112.1	L410 H412 Q418 F451 L460 I463 L522	L410-A414 WeakPolarHBondContact O-CB 3.28Å; L410-A414 PolarHBondContact O-N 2.97Å; L410-A414 VanDerWaalsContact O-N 3.09Å; H412-A414 VanDerWaalsContact C-N 3.3Å; H412-A414 PolarHBondContact O-N 3.16Å; A414-Q418 WeakPolarHBondContact O-CG 3.25Å; A414-Q418 PolarHBondContact O-N 3.21Å; A414-F451 HydrophobicContact CB-CD1 4.41Å; A414-F451 HydrophobicContact CB-CE1 3.21Å; A414-F451 HydrophobicContact CB-CZ 3.42Å; A414-F451 VanDerWaalsContact CB-CZ 3.42Å; A414-L460 HydrophobicContact CB-CD2 3.78Å; A414-I463 HydrophobicContact CB-CD1 3.42Å; A414-I463 VanDerWaalsContact CB-CD1 3.42Å; A414-I463 HydrophobicContact CB-CG1 4.44Å; A414-L522 HydrophobicContact CB-CD1 4.41Å
415	R	89.8	Confident	89.2	Confident	98 Å²	98	36.5 Å²	36.5	37%	0.37	16%	0.161	S	C	.	.	H	α-helix	trans	-72.3	-42.4	173	179.5	174.9	174.1	174.6	-2.9	109.7	R411 H412 V413 Q418 M419 F451 L583	R411-R415 WeakPolarHBondContact O-CB 3.46Å; R411-R415 PolarHBondContact O-N 3.27Å; H412-R415 PolarHBondContact O-N 3.34Å; H412-R415 VanDerWaalsContact O-N 3.15Å; V413-R415 VanDerWaalsContact C-N 3.27Å; V413-R415 PolarHBondContact O-N 3.34Å; R415-Q418 PolarHBondContact O-N 3.38Å; R415-M419 HydrophobicContact CG-SD 4.14Å; R415-M419 WeakPolarHBondContact O-CB 3.4Å; R415-M419 VanDerWaalsContact O-CG 3.26Å; R415-M419 WeakPolarHBondContact O-CG 3.35Å; R415-M419 PolarHBondContact O-N 3.33Å; R415-F451 HydrophobicContact CB-CE2 4.01Å; R415-F451 HydrophobicContact CB-CZ 4Å; R415-L583 HydrophobicContact CG-CD2 4.12Å
416	L	91.3	Very high	89	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-50.7	173.1	-70.3	168.2	0	0	0	110.2	H412 V413 Q418 M419 Y420 L526 Y534 L582 L583	H412-L416 WeakPolarHBondContact O-CG 3.45Å; H412-L416 PolarHBondContact O-N 3.3Å; V413-L416 WeakPolarHBondContact O-CB 3.44Å; V413-L416 PolarHBondContact O-N 3.09Å; L416-Q418 VanDerWaalsContact C-N 3.32Å; L416-Q418 PolarHBondContact O-N 2.87Å; L416-M419 WeakPolarHBondContact O-CB 3.35Å; L416-M419 PolarHBondContact O-N 3.5Å; L416-Y420 HydrophobicContact CB-CD2 4.3Å; L416-Y420 HydrophobicContact CB-CE2 4.3Å; L416-Y420 HydrophobicContact CD2-CE2 4Å; L416-Y420 WeakPolarHBondContact O-CD2 3.41Å; L416-Y420 PolarHBondContact O-N 3.21Å; L416-L526 HydrophobicContact CB-CD1 4.15Å; L416-L526 HydrophobicContact CB-CD2 4.29Å; L416-L526 HydrophobicContact CD1-CD1 4.45Å; L416-Y534 HydrophobicContact CD1-CD2 3.82Å; L416-Y534 HydrophobicContact CD1-CE2 3.88Å; L416-L582 HydrophobicContact CD2-CB 3.93Å; L416-L583 HydrophobicContact CD2-CD2 3.54Å; L416-L583 HydrophobicContact CD2-CG 4Å; L416-L583 HydrophobicContact CG-CD2 3.86Å
417	V	91.9	Very high	88.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-52.5	-50	178.5	172.6	0	0	0	0	111	V413 M419 Y420 D421 L460 L522 Y525 L526	V413-V417 WeakPolarHBondContact O-CG2 3.5Å; V413-V417 PolarHBondContact O-N 3.42Å; V417-M419 PolarHBondContact O-N 3.46Å; V417-Y420 PolarHBondContact O-N 3.15Å; V417-D421 WeakPolarHBondContact O-CB 3.34Å; V417-D421 PolarHBondContact O-N 3.42Å; V417-L460 HydrophobicContact CB-CD1 4.38Å; V417-L460 HydrophobicContact CB-CD2 4.45Å; V417-L460 HydrophobicContact CG1-CD1 3.76Å; V417-L460 HydrophobicContact CG1-CD2 4.3Å; V417-L460 HydrophobicContact CG1-CG 4.13Å; V417-L522 HydrophobicContact CG2-CD2 4.25Å; V417-Y525 HydrophobicContact CG1-CD1 3.94Å; V417-Y525 HydrophobicContact CG1-CE1 3.75Å; V417-Y525 HydrophobicContact CG2-CD1 4.01Å; V417-L526 HydrophobicContact CB-CD2 4.45Å; V417-L526 HydrophobicContact CG2-CD1 4.17Å; V417-L526 HydrophobicContact CG2-CD2 3.67Å; V417-L526 HydrophobicContact CG2-CG 3.68Å
418	Q	88.8	Confident	88.3	Confident	56 Å²	56	41.4 Å²	41.4	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-60.3	-43.4	177.7	-69.8	177.6	0.8	0	0	113	A414 R415 L416 K422 F451 L460	A414-Q418 WeakPolarHBondContact O-CG 3.25Å; A414-Q418 PolarHBondContact O-N 3.21Å; R415-Q418 PolarHBondContact O-N 3.38Å; L416-Q418 VanDerWaalsContact C-N 3.32Å; L416-Q418 PolarHBondContact O-N 2.87Å; Q418-K422 WeakPolarHBondContact O-CB 3.26Å; Q418-K422 PolarHBondContact O-N 3.1Å; Q418-F451 PolarHBondContact NE2-O 3.11Å; Q418-L460 HydrophobicContact CG-CD1 3.47Å; Q418-L460 VanDerWaalsContact CG-CD1 3.47Å
419	M	88.7	Confident	86.7	Confident	57 Å²	57	43 Å²	43	28%	0.281	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-46.3	179.4	-74.3	-178.1	66.7	0	0	112.4	R415 L416 V417 R423 L583	R415-M419 HydrophobicContact CG-SD 4.14Å; R415-M419 WeakPolarHBondContact O-CB 3.4Å; R415-M419 VanDerWaalsContact O-CG 3.26Å; R415-M419 WeakPolarHBondContact O-CG 3.35Å; R415-M419 PolarHBondContact O-N 3.33Å; L416-M419 WeakPolarHBondContact O-CB 3.35Å; L416-M419 PolarHBondContact O-N 3.5Å; V417-M419 PolarHBondContact O-N 3.46Å; M419-R423 VanDerWaalsContact O-CB 3.3Å; M419-R423 WeakPolarHBondContact O-CB 3.29Å; M419-R423 PolarHBondContact O-N 2.91Å; M419-L583 WeakPolarHBondContact CE-O 3.19Å; M419-L583 HydrophobicContact SD-CD2 4.16Å
420	Y	90.5	Very high	84.8	Confident	16 Å²	16	53.1 Å²	53.1	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-37.9	178.2	-78.1	-83.1	0	0	0	111.9	L416 V417 R423 A424 L526 H530 V532 E539	L416-Y420 HydrophobicContact CB-CD2 4.3Å; L416-Y420 HydrophobicContact CB-CE2 4.3Å; L416-Y420 HydrophobicContact CD2-CE2 4Å; L416-Y420 WeakPolarHBondContact O-CD2 3.41Å; L416-Y420 PolarHBondContact O-N 3.21Å; V417-Y420 PolarHBondContact O-N 3.15Å; Y420-R423 PolarHBondContact O-N 2.94Å; Y420-A424 VanDerWaalsContact O-CB 3.32Å; Y420-A424 WeakPolarHBondContact O-CB 3.48Å; Y420-A424 PolarHBondContact O-N 3.27Å; Y420-L526 HydrophobicContact CD2-CD2 4.17Å; Y420-H530 HydrophobicContact CD1-CB 4.22Å; Y420-H530 HydrophobicContact CG-CB 4.33Å; Y420-V532 HydrophobicContact CD1-CG2 4.45Å; Y420-V532 HydrophobicContact CE1-CG2 3.83Å; Y420-V532 HydrophobicContact CE2-CG2 4.03Å; Y420-E539 PolarHBondContact OH-OE1 3.21Å
421	D	91.3	Very high	82.7	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.043	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-43.9	176.1	-76.5	4.9	0	0	0	111.8	V417 N425 L426 W427 N457 Y525 H530	V417-D421 WeakPolarHBondContact O-CB 3.34Å; V417-D421 PolarHBondContact O-N 3.42Å; D421-N425 WeakPolarHBondContact O-CA 3.3Å; D421-N425 PolarHBondContact O-N 3.17Å; D421-L426 PolarHBondContact O-N 3.44Å; D421-W427 PolarHBondContact OD2-NE1 2.86Å; D421-N457 PolarHBondContact OD2-ND2 3.16Å; D421-Y525 WeakPolarHBondContact OD1-CE1 3.34Å; D421-Y525 PolarHBondContact OD1-OH 3.41Å; D421-Y525 PolarHBondContact OD2-OH 2.82Å; D421-H530 IonicContact OD1-CD2 3.71Å; D421-H530 IonicContact OD1-CE1 2.99Å; D421-H530 IonicContact OD1-NE2 2.96Å; D421-H530 PolarHBondContact OD1-NE2 2.96Å
422	K	88.5	Confident	80.5	Confident	164 Å²	164	62.6 Å²	62.6	71%	0.713	30%	0.296	S	S	*	.	H	α-helix	trans	-63.7	-44.4	173.9	-172.1	-179.1	178.4	-171.4	0	111.1	Q418 A424 N425	Q418-K422 WeakPolarHBondContact O-CB 3.26Å; Q418-K422 PolarHBondContact O-N 3.1Å; K422-A424 PolarHBondContact O-N 2.94Å; K422-N425 PolarHBondContact O-N 2.84Å
423	R	85.6	Confident	78	Confident	89 Å²	89	65.4 Å²	65.4	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-41.8	179.5	173.7	178.9	-81.8	176.2	-5.5	112.8	M419 Y420 N425	M419-R423 VanDerWaalsContact O-CB 3.3Å; M419-R423 WeakPolarHBondContact O-CB 3.29Å; M419-R423 PolarHBondContact O-N 2.91Å; Y420-R423 PolarHBondContact O-N 2.94Å; R423-N425 VanDerWaalsContact C-N 3.33Å
424	A	85.8	Confident	75.1	Confident	11 Å²	11	70 Å²	70	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-81.8	-14.3	178.5	0	0	0	0	0	112.6	T156 Y420 K422 L426	T156-A424 HydrophobicContact CG2-CB 4.22Å; Y420-A424 VanDerWaalsContact O-CB 3.32Å; Y420-A424 WeakPolarHBondContact O-CB 3.48Å; Y420-A424 PolarHBondContact O-N 3.27Å; K422-A424 PolarHBondContact O-N 2.94Å; A424-L426 VanDerWaalsContact C-N 3.34Å; A424-L426 HydrophobicContact CB-CD1 4.2Å; A424-L426 HydrophobicContact CB-CD2 4.05Å; A424-L426 HydrophobicContact CB-CG 3.71Å
425	N	86.7	Confident	72.3	Confident	96 Å²	96	78.9 Å²	78.9	51%	0.513	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	52.5	-173.3	-166.3	18.6	0	0	0	111.6	D421 K422 R423 G428	D421-N425 WeakPolarHBondContact O-CA 3.3Å; D421-N425 PolarHBondContact O-N 3.17Å; K422-N425 PolarHBondContact O-N 2.84Å; R423-N425 VanDerWaalsContact C-N 3.33Å; N425-G428 WeakPolarHBondContact OD1-CA 3.25Å; N425-G428 PolarHBondContact OD1-N 3.24Å
426	L	84.5	Confident	69.4	Low	23 Å²	23	81.2 Å²	81.2	12%	0.12	42%	0.421	C	S	.	.			trans	-76.1	-37.5	-177.2	-66.7	177.9	0	0	0	112.3	T156 K157 L160 D421 A424 V529 H530	T156-L426 HydrophobicContact CG2-CD1 4.01Å; T156-L426 HydrophobicContact CG2-CD2 4.02Å; T156-L426 HydrophobicContact CG2-CG 4.5Å; K157-L426 HydrophobicContact CB-CD2 4.48Å; K157-L426 HydrophobicContact CG-CD2 3.54Å; L160-L426 HydrophobicContact CD2-CB 4.08Å; L160-L426 HydrophobicContact CD2-CD1 4.24Å; L160-L426 HydrophobicContact CD2-CD2 4.29Å; L160-L426 HydrophobicContact CD2-CG 4.42Å; D421-L426 PolarHBondContact O-N 3.44Å; A424-L426 VanDerWaalsContact C-N 3.34Å; A424-L426 HydrophobicContact CB-CD1 4.2Å; A424-L426 HydrophobicContact CB-CD2 4.05Å; A424-L426 HydrophobicContact CB-CG 3.71Å; L426-V529 HydrophobicContact CD1-CG1 4.02Å; L426-H530 VanDerWaalsContact CD1-CE1 3.49Å; L426-H530 WeakPolarHBondContact CD1-CE1 3.16Å
427	W	83.4	Confident	66.4	Low	71 Å²	71	87.1 Å²	87.1	27%	0.269	46%	0.458	S	S	.	.	S	Bend	trans	-109.9	10.7	-172.1	-57.3	100.9	0	0	0	114.2	L160 M164 D421 K456 N457 P458	L160-W427 HydrophobicContact CD1-CZ2 4.12Å; L160-W427 HydrophobicContact CD2-CZ2 4.39Å; M164-W427 HydrophobicContact CE-CH2 3.52Å; M164-W427 HydrophobicContact CE-CZ2 3.5Å; D421-W427 PolarHBondContact OD2-NE1 2.86Å; W427-K456 HydrophobicContact CB-CB 4.11Å; W427-K456 HydrophobicContact CE3-CB 4.41Å; W427-K456 WeakPolarHBondContact O-CD 3.29Å; W427-N457 HydrophobicContact CD2-CB 4.43Å; W427-N457 HydrophobicContact CZ2-CB 4.08Å; W427-P458 HydrophobicContact CH2-CG 4.1Å
428	G	72.6	Confident	63.6	Low	36 Å²	36	93.5 Å²	93.5	37%	0.371	50%	0.496	S	S	.	.			trans	-62.4	143.2	175.5	0	0	0	0	0	112.4	N425 K430	N425-G428 WeakPolarHBondContact OD1-CA 3.25Å; N425-G428 PolarHBondContact OD1-N 3.24Å; G428-K430 PolarHBondContact O-N 2.79Å
429	S	56	Low	60.8	Low	42 Å²	42	96.1 Å²	96.1	29%	0.294	52%	0.517	S	S	.	.			trans	-57.3	128.7	172.6	-32.2	0	0	0	0	109	E431 E432 K456	S429-E431 PolarHBondContact O-N 2.74Å; S429-E432 PolarHBondContact O-N 2.88Å; S429-E432 PolarHBondContact OG-OE1 3.48Å; S429-K456 PolarHBondContact OG-NZ 2.68Å; S429-K456 VanDerWaalsContact OG-NZ 3.08Å
430	K	52.9	Low	58.1	Low	214 Å²	214	99 Å²	99	93%	0.93	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-58.2	-14.6	174	-74.5	-177.7	179.3	174.8	0	113.1	G428	G428-K430 PolarHBondContact O-N 2.79Å
431	E	45.6	Very low	55.3	Low	177 Å²	177	102.7 Å²	102.7	83%	0.827	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-88.7	-13.1	-176.6	-63.7	-177.9	169.2	0	0	114.6	S429 G433	S429-E431 PolarHBondContact O-N 2.74Å; E431-G433 PolarHBondContact O-N 2.58Å
432	E	43.3	Very low	52.6	Low	144 Å²	144	109 Å²	109	67%	0.673	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-83.4	9.9	175.3	-72.9	167.1	-136	0	0	113	S429	S429-E432 PolarHBondContact O-N 2.88Å; S429-E432 PolarHBondContact OG-OE1 3.48Å
433	G	37.4	Very low	50	Low	71 Å²	71	108.8 Å²	108.8	73%	0.732	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-88.6	2.9	-175.5	0	0	0	0	0	116.2	E431	E431-G433 PolarHBondContact O-N 2.58Å
434	S	32	Very low	47.6	Very low	96 Å²	96	112.4 Å²	112.4	67%	0.671	62%	0.622	S	S	*	*	S	Bend	trans	-100.4	112.2	171.1	70.4	0	0	0	0	110.3
435	E	30.8	Very low	45.1	Very low	188 Å²	188	116.8 Å²	116.8	88%	0.879	65%	0.65	S	S	*	*			trans	50.4	69.2	161.5	-63.7	-177.1	161.4	0	0	116.1
436	N	29.7	Very low	42.7	Very low	146 Å²	146	118.8 Å²	118.8	78%	0.781	66%	0.659	S	S	*	*			trans	-121	107	148.4	-89.4	-28.7	0	0	0	108.4	V438	N436-V438 PolarHBondContact O-N 3.49Å
437	T	28.6	Very low	40.4	Very low	124 Å²	124	123 Å²	123	76%	0.761	69%	0.686	S	S	*	*			trans	-42.6	118.2	165.8	31.5	0	0	0	0	109.8	T439	T437-T439 VanDerWaalsContact C-N 3.3Å; T437-T439 PolarHBondContact O-N 2.85Å
438	V	32.9	Very low	38.1	Very low	134 Å²	134	129.5 Å²	129.5	81%	0.812	72%	0.719	S	S	*	*			trans	-58.7	95.4	170.5	178.6	0	0	0	0	107.4	N436	N436-V438 PolarHBondContact O-N 3.49Å
439	T	29.7	Very low	36.3	Very low	112 Å²	112	130.5 Å²	130.5	69%	0.687	73%	0.73	S	S	*	*			trans	-88.8	106.3	160.4	38.8	0	0	0	0	105.3	T437 S441	T437-T439 VanDerWaalsContact C-N 3.3Å; T437-T439 PolarHBondContact O-N 2.85Å; T439-S441 PolarHBondContact O-N 3.42Å
440	D	33	Very low	35.3	Very low	116 Å²	116	131.4 Å²	131.4	62%	0.62	75%	0.745	S	S	*	*			trans	-62	88.3	166.5	-98.2	-30.9	0	0	0	106.9	K588	D440-K588 IonicContact OD1-NZ 3.22Å; D440-K588 PolarHBondContact OD1-NZ 3.05Å; D440-K588 IonicContact OD2-NZ 3.88Å; D440-K588 PolarHBondContact OD2-NZ 3.31Å
441	S	30.9	Very low	35.1	Very low	94 Å²	94	123.5 Å²	123.5	66%	0.657	71%	0.711	S	S	*	*			trans	-140.1	63.8	168.3	64	0	0	0	0	109.2	T439 D443	T439-S441 PolarHBondContact O-N 3.42Å; S441-D443 VanDerWaalsContact C-N 3.28Å; S441-D443 PolarHBondContact O-N 2.9Å
442	D	34.3	Very low	35.2	Very low	141 Å²	141	116.7 Å²	116.7	75%	0.754	69%	0.685	S	S	*	*			trans	-90.9	59.3	171.3	-79.9	-40.9	0	0	0	109.6
443	D	34.3	Very low	35.5	Very low	159 Å²	159	118.4 Å²	118.4	85%	0.85	69%	0.693	S	S	*	*			trans	-120.5	76.6	165.7	-89.8	-32.8	0	0	0	108.3	S441	S441-D443 VanDerWaalsContact C-N 3.28Å; S441-D443 PolarHBondContact O-N 2.9Å
444	H	34.6	Very low	36.5	Very low	166 Å²	166	123.7 Å²	123.7	77%	0.769	70%	0.701	S	S	*	*			trans	-125.6	118.5	159.9	-125.6	-69.9	0	0	0	107.2	L446	H444-L446 PolarHBondContact O-N 3.46Å
445	P	34.1	Very low	38.3	Very low	103 Å²	103	121 Å²	121	67%	0.669	68%	0.682	S	S	*	*			trans	-57.9	132.9	173.4	24.9	-30.4	0	0	0	106.8	V447	P445-V447 PolarHBondContact O-N 2.92Å
446	L	36.6	Very low	40.5	Very low	137 Å²	137	118 Å²	118	72%	0.717	67%	0.666	S	S	*	*			trans	-55.5	86.6	168.7	-92.5	151.3	0	0	0	108	H444 Q448	H444-L446 PolarHBondContact O-N 3.46Å; L446-Q448 PolarHBondContact O-N 3.39Å
447	V	34.7	Very low	43.2	Very low	111 Å²	111	111.1 Å²	111.1	67%	0.673	63%	0.629	S	S	*	*			trans	-55.2	137.3	165.6	175.1	0	0	0	0	105.9	P445 G449	P445-V447 PolarHBondContact O-N 2.92Å; V447-G449 PolarHBondContact O-N 3.11Å
448	Q	36.5	Very low	45.9	Very low	208 Å²	208	108.2 Å²	108.2	97%	0.972	61%	0.612	S	S	*	*	S	Bend	trans	-55.7	70.9	168.7	-71	162.2	-51.9	0	0	110.6	L446	L446-Q448 PolarHBondContact O-N 3.39Å
449	G	33.6	Very low	48.4	Very low	58 Å²	58	103.4 Å²	103.4	60%	0.598	58%	0.582	S	S	*	*			trans	-115.5	136.8	179.5	0	0	0	0	0	109.7	V447	V447-G449 PolarHBondContact O-N 3.11Å
450	G	36.6	Very low	51	Low	60 Å²	60	98.2 Å²	98.2	62%	0.619	55%	0.55	S	S	*	*			trans	-45	132.1	-163.9	0	0	0	0	0	115.9	A452	G450-A452 PolarHBondContact O-N 2.72Å; G450-A452 VanDerWaalsContact O-N 3.16Å
451	F	48	Very low	53.1	Low	49 Å²	49	96.4 Å²	96.4	22%	0.215	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.1	-173.5	-151.4	-83.8	0	0	0	114.7	R411 A414 R415 Q418 I463 T464 L467	R411-F451 WeakPolarHBondContact O-CZ 3.49Å; A414-F451 HydrophobicContact CB-CD1 4.41Å; A414-F451 HydrophobicContact CB-CE1 3.21Å; A414-F451 HydrophobicContact CB-CZ 3.42Å; A414-F451 VanDerWaalsContact CB-CZ 3.42Å; R415-F451 HydrophobicContact CB-CE2 4.01Å; R415-F451 HydrophobicContact CB-CZ 4Å; Q418-F451 PolarHBondContact NE2-O 3.11Å; F451-I463 HydrophobicContact CD1-CG2 3.9Å; F451-I463 HydrophobicContact CE1-CG2 4.36Å; F451-T464 HydrophobicContact CB-CG2 4.25Å; F451-L467 HydrophobicContact CB-CD1 3.93Å; F451-L467 HydrophobicContact CD1-CD1 3.69Å; F451-L467 HydrophobicContact CD2-CD1 4.14Å; F451-L467 HydrophobicContact CE1-CD1 4.13Å; F451-L467 HydrophobicContact CE2-CD1 4.48Å; F451-L467 HydrophobicContact CG-CD1 3.66Å; F451-L467 HydrophobicContact CZ-CD1 4.43Å
452	A	46.7	Very low	55.2	Low	33 Å²	33	97 Å²	97	27%	0.273	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-14.4	-169.9	0	0	0	0	0	116.2	G450 M454 T464	G450-A452 PolarHBondContact O-N 2.72Å; G450-A452 VanDerWaalsContact O-N 3.16Å; A452-M454 VanDerWaalsContact C-N 3.32Å; A452-M454 PolarHBondContact O-N 3.28Å; A452-T464 HydrophobicContact CB-CG2 3.32Å
453	E	50.8	Low	57.4	Low	180 Å²	180	90.3 Å²	90.3	84%	0.841	51%	0.506	S	S	*	.	S	Bend	trans	-83.2	2.4	-164.8	-71.8	-175	160.5	0	0	115.5
454	M	58.3	Low	59.4	Low	183 Å²	183	85 Å²	85	90%	0.901	48%	0.479	S	S	*	.	S	Bend	trans	-133.4	-7.6	-169.4	-68	-177	57	0	0	117.3	A452	A452-M454 VanDerWaalsContact C-N 3.32Å; A452-M454 PolarHBondContact O-N 3.28Å
455	S	68.5	Low	61.4	Low	39 Å²	39	81.7 Å²	81.7	27%	0.273	47%	0.468	S	S	.	.			trans	-101.8	129.4	-177.9	-171	0	0	0	0	112.4	N457	S455-N457 PolarHBondContact O-N 3.5Å; S455-N457 PolarHBondContact OG-N 3.25Å
456	K	79.1	Confident	63.3	Low	125 Å²	125	81 Å²	81	54%	0.543	45%	0.453	S	S	.	.			trans	-81.9	1.7	174.1	-64.4	174	-172.9	170	0	113.2	W427 S429	W427-K456 HydrophobicContact CB-CB 4.11Å; W427-K456 HydrophobicContact CE3-CB 4.41Å; W427-K456 WeakPolarHBondContact O-CD 3.29Å; S429-K456 PolarHBondContact OG-NZ 2.68Å; S429-K456 VanDerWaalsContact OG-NZ 3.08Å
457	N	85.5	Confident	65	Low	2 Å²	2	76.2 Å²	76.2	1%	0.011	43%	0.427	C	S	.	.			trans	-71.2	123.1	178.9	-173.5	-25.7	0	0	0	110.1	D421 W427 S455 L459 L460	D421-N457 PolarHBondContact OD2-ND2 3.16Å; W427-N457 HydrophobicContact CD2-CB 4.43Å; W427-N457 HydrophobicContact CZ2-CB 4.08Å; S455-N457 PolarHBondContact O-N 3.5Å; S455-N457 PolarHBondContact OG-N 3.25Å; N457-L459 PolarHBondContact O-N 2.66Å; N457-L459 PolarHBondContact OD1-N 3.44Å; N457-L460 HydrophobicContact CB-CD1 4.17Å; N457-L460 HydrophobicContact CB-CG 4.34Å; N457-L460 PolarHBondContact O-N 3.47Å; N457-L460 VanDerWaalsContact O-N 3.07Å
458	P	85.9	Confident	66.6	Low	62 Å²	62	75.3 Å²	75.3	40%	0.403	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-60.8	-29	-177	25.2	-35.3	0	0	0	113.2	M164 W427 L460 S461	M164-P458 HydrophobicContact CE-CG 4.02Å; M164-P458 HydrophobicContact SD-CG 4.37Å; W427-P458 HydrophobicContact CH2-CG 4.1Å; P458-L460 PolarHBondContact O-N 3.24Å; P458-S461 WeakPolarHBondContact O-CB 3.32Å; P458-S461 PolarHBondContact O-N 3.02Å; P458-S461 PolarHBondContact O-OG 3.46Å
459	L	84	Confident	67.7	Low	33 Å²	33	71.5 Å²	71.5	17%	0.173	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-70.5	-20.7	179.1	-66.7	-178.8	0	0	0	113.8	F163 M167 N457 P521 L522 Y525	F163-L459 HydrophobicContact CE1-CD1 3.89Å; F163-L459 HydrophobicContact CZ-CD1 4.17Å; M167-L459 HydrophobicContact CE-CD1 4.11Å; M167-L459 HydrophobicContact CE-CD2 3.65Å; M167-L459 HydrophobicContact CE-CG 4Å; M167-L459 HydrophobicContact SD-CD2 4.09Å; N457-L459 PolarHBondContact O-N 2.66Å; N457-L459 PolarHBondContact OD1-N 3.44Å; L459-P521 HydrophobicContact CD2-CB 4.07Å; L459-L522 HydrophobicContact CB-CD2 3.66Å; L459-L522 HydrophobicContact CD1-CD2 4.35Å; L459-Y525 HydrophobicContact CD1-CD2 3.81Å; L459-Y525 HydrophobicContact CD1-CG 3.83Å
460	L	84.5	Confident	68.7	Low	4 Å²	4	75.4 Å²	75.4	2%	0.021	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-94.5	-0.6	178.1	-64.1	176.7	0	0	0	112.3	A414 V417 Q418 N457 P458 N462 I463 L522	A414-L460 HydrophobicContact CB-CD2 3.78Å; V417-L460 HydrophobicContact CB-CD1 4.38Å; V417-L460 HydrophobicContact CB-CD2 4.45Å; V417-L460 HydrophobicContact CG1-CD1 3.76Å; V417-L460 HydrophobicContact CG1-CD2 4.3Å; V417-L460 HydrophobicContact CG1-CG 4.13Å; Q418-L460 HydrophobicContact CG-CD1 3.47Å; Q418-L460 VanDerWaalsContact CG-CD1 3.47Å; N457-L460 HydrophobicContact CB-CD1 4.17Å; N457-L460 HydrophobicContact CB-CG 4.34Å; N457-L460 PolarHBondContact O-N 3.47Å; N457-L460 VanDerWaalsContact O-N 3.07Å; P458-L460 PolarHBondContact O-N 3.24Å; L460-N462 PolarHBondContact O-N 3.16Å; L460-I463 HydrophobicContact CD2-CD1 3.77Å; L460-I463 WeakPolarHBondContact O-CG2 3.23Å; L460-I463 PolarHBondContact O-N 2.83Å; L460-L522 HydrophobicContact CD2-CD2 3.82Å; L460-L522 HydrophobicContact CG-CD2 4.5Å
461	S	78.6	Confident	69.2	Low	77 Å²	77	75.7 Å²	75.7	54%	0.538	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	132.9	173	66.1	0	0	0	0	110.2	P458 I463	P458-S461 WeakPolarHBondContact O-CB 3.32Å; P458-S461 PolarHBondContact O-N 3.02Å; P458-S461 PolarHBondContact O-OG 3.46Å; S461-I463 PolarHBondContact O-N 3.03Å; S461-I463 VanDerWaalsContact O-N 3.09Å
462	N	74.7	Confident	69.4	Low	106 Å²	106	78 Å²	78	57%	0.567	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	17.8	180	-48	-25.2	0	0	0	115.2	L460 T464 D465	L460-N462 PolarHBondContact O-N 3.16Å; N462-T464 PolarHBondContact O-N 3.48Å; N462-D465 WeakPolarHBondContact O-CB 3.07Å; N462-D465 PolarHBondContact O-N 3.37Å
463	I	79.6	Confident	70	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.01	43%	0.428	C	S	.	.	H	α-helix	trans	-66.1	-29	-179.8	-162.5	151.6	0	0	0	112.3	L410 A414 F451 L460 S461 D465 Y466 L467 L522	L410-I463 HydrophobicContact CD1-CD1 4.01Å; L410-I463 HydrophobicContact CD1-CG1 4.35Å; A414-I463 HydrophobicContact CB-CD1 3.42Å; A414-I463 VanDerWaalsContact CB-CD1 3.42Å; A414-I463 HydrophobicContact CB-CG1 4.44Å; F451-I463 HydrophobicContact CD1-CG2 3.9Å; F451-I463 HydrophobicContact CE1-CG2 4.36Å; L460-I463 HydrophobicContact CD2-CD1 3.77Å; L460-I463 WeakPolarHBondContact O-CG2 3.23Å; L460-I463 PolarHBondContact O-N 2.83Å; S461-I463 PolarHBondContact O-N 3.03Å; S461-I463 VanDerWaalsContact O-N 3.09Å; I463-D465 PolarHBondContact O-N 2.9Å; I463-Y466 PolarHBondContact O-N 3.3Å; I463-L467 HydrophobicContact CG1-CD1 4.46Å; I463-L467 HydrophobicContact CG1-CG 4.41Å; I463-L467 HydrophobicContact CG2-CD1 4.36Å; I463-L467 WeakPolarHBondContact O-CG 3.48Å; I463-L467 PolarHBondContact O-N 2.9Å; I463-L522 HydrophobicContact CD1-CD1 3.5Å
464	T	76.6	Confident	70.6	Confident	46 Å²	46	78 Å²	78	28%	0.282	42%	0.423	S	S	.	.	H	α-helix	trans	-55.6	-33.8	176.5	35.3	0	0	0	0	113	F451 A452 N462 Y466 L467 V468	F451-T464 HydrophobicContact CB-CG2 4.25Å; A452-T464 HydrophobicContact CB-CG2 3.32Å; N462-T464 PolarHBondContact O-N 3.48Å; T464-Y466 PolarHBondContact O-N 2.71Å; T464-L467 PolarHBondContact O-N 3.23Å; T464-L467 VanDerWaalsContact O-N 3.09Å; T464-V468 WeakPolarHBondContact O-CG2 3.47Å; T464-V468 PolarHBondContact O-N 3.41Å
465	D	76.8	Confident	70.8	Confident	98 Å²	98	74.4 Å²	74.4	52%	0.524	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-27.3	-178.2	-54.6	-5.5	0	0	0	111.3	N462 I463	N462-D465 WeakPolarHBondContact O-CB 3.07Å; N462-D465 PolarHBondContact O-N 3.37Å; I463-D465 PolarHBondContact O-N 2.9Å
466	Y	74.3	Confident	70.4	Confident	89 Å²	89	78.1 Å²	78.1	35%	0.349	42%	0.416	S	S	.	.	H	α-helix	trans	-91.4	-20.4	175.8	-61.1	-85.3	0	0	0	113	I463 T464 N514 Y515 V518	I463-Y466 PolarHBondContact O-N 3.3Å; T464-Y466 PolarHBondContact O-N 2.71Å; Y466-N514 HydrophobicContact CE1-CB 4.32Å; Y466-Y515 WeakPolarHBondContact O-CE1 3.49Å; Y466-V518 HydrophobicContact CD1-CG2 4.04Å; Y466-V518 HydrophobicContact CD2-CG1 4.33Å; Y466-V518 HydrophobicContact CD2-CG2 4.12Å; Y466-V518 HydrophobicContact CE1-CG2 3.77Å; Y466-V518 HydrophobicContact CE2-CG2 3.86Å; Y466-V518 HydrophobicContact CG-CG2 4.21Å
467	L	71.7	Confident	70.1	Confident	36 Å²	36	80 Å²	80	19%	0.188	43%	0.427	C	S	.	.	H	α-helix	trans	-81.3	-27.1	178.8	-67.5	179.4	0	0	0	112.5	L410 R411 F451 I463 T464	L410-L467 HydrophobicContact CB-CD2 4.37Å; L410-L467 HydrophobicContact CD2-CD2 4Å; L410-L467 HydrophobicContact CG-CD2 3.83Å; R411-L467 HydrophobicContact CB-CD2 4.34Å; R411-L467 HydrophobicContact CG-CD2 3.48Å; R411-L467 VanDerWaalsContact CG-CD2 3.48Å; F451-L467 HydrophobicContact CB-CD1 3.93Å; F451-L467 HydrophobicContact CD1-CD1 3.69Å; F451-L467 HydrophobicContact CD2-CD1 4.14Å; F451-L467 HydrophobicContact CE1-CD1 4.13Å; F451-L467 HydrophobicContact CE2-CD1 4.48Å; F451-L467 HydrophobicContact CG-CD1 3.66Å; F451-L467 HydrophobicContact CZ-CD1 4.43Å; I463-L467 HydrophobicContact CG1-CD1 4.46Å; I463-L467 HydrophobicContact CG1-CG 4.41Å; I463-L467 HydrophobicContact CG2-CD1 4.36Å; I463-L467 WeakPolarHBondContact O-CG 3.48Å; I463-L467 PolarHBondContact O-N 2.9Å; T464-L467 PolarHBondContact O-N 3.23Å; T464-L467 VanDerWaalsContact O-N 3.09Å
468	V	67.3	Low	69.6	Low	92 Å²	92	86.8 Å²	86.8	56%	0.558	46%	0.463	S	S	*	.	S	Bend	trans	-82.1	120.4	172.8	179.7	0	0	0	0	108.2	T464 E470	T464-V468 WeakPolarHBondContact O-CG2 3.47Å; T464-V468 PolarHBondContact O-N 3.41Å; V468-E470 PolarHBondContact O-N 3.3Å
469	E	60.1	Low	68.6	Low	128 Å²	128	89 Å²	89	60%	0.598	47%	0.471	S	S	*	.			trans	-69.4	98.1	166.5	-69.5	-167.3	144.2	0	0	108.2	Q407 A471	Q407-E469 PolarHBondContact NE2-OE1 3.06Å; Q407-E469 PolarHBondContact OE1-OE1 2.97Å; E469-A471 PolarHBondContact O-N 3.38Å
470	E	54.1	Low	67.2	Low	139 Å²	139	89.4 Å²	89.4	65%	0.65	48%	0.483	S	S	*	.			trans	-65.3	79.2	157.9	-70.2	-176.1	167.3	0	0	108	V468	V468-E470 PolarHBondContact O-N 3.3Å
471	A	48.2	Very low	65.6	Low	67 Å²	67	94 Å²	94	55%	0.554	51%	0.511	S	S	*	.			trans	-77.8	119.4	162.9	0	0	0	0	0	106.9	E469 A473	E469-A471 PolarHBondContact O-N 3.38Å; A471-A473 PolarHBondContact O-N 3.19Å
472	N	51.1	Low	64	Low	97 Å²	97	94.3 Å²	94.3	52%	0.519	52%	0.519	S	S	.	.			trans	-70.8	55.7	165.6	-84.9	5.5	0	0	0	109.3	E474 E475 E476	N472-E474 PolarHBondContact O-N 3.45Å; N472-E474 VanDerWaalsContact O-N 3.15Å; N472-E475 HydrophobicContact CB-CB 3.95Å; N472-E475 PolarHBondContact ND2-OE2 3.09Å; N472-E475 PolarHBondContact O-N 3.03Å; N472-E476 PolarHBondContact O-N 3.27Å
473	A	60	Low	62.3	Low	59 Å²	59	94.6 Å²	94.6	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-56.7	-34.1	-177.1	0	0	0	0	0	111.1	A471 E477	A471-A473 PolarHBondContact O-N 3.19Å; A473-E477 WeakPolarHBondContact O-CB 3.45Å; A473-E477 PolarHBondContact O-N 3.44Å
474	E	63.9	Low	60.4	Low	155 Å²	155	101.2 Å²	101.2	72%	0.724	56%	0.56	S	S	*	*	H	α-helix	trans	-64.7	-40.8	175.2	-173.1	177.6	-175.2	0	0	112.5	N472 L478	N472-E474 PolarHBondContact O-N 3.45Å; N472-E474 VanDerWaalsContact O-N 3.15Å; E474-L478 HydrophobicContact CG-CD1 4.42Å; E474-L478 VanDerWaalsContact O-CB 3.31Å; E474-L478 WeakPolarHBondContact O-CB 2.93Å; E474-L478 PolarHBondContact O-N 3.26Å
475	E	61.4	Low	58.7	Low	106 Å²	106	107.5 Å²	107.5	50%	0.495	59%	0.586	S	S	.	*	H	α-helix	trans	-73.6	-40.6	-179.8	-166.2	-178.2	-178.2	0	0	111.4	N472 L478 L479	N472-E475 HydrophobicContact CB-CB 3.95Å; N472-E475 PolarHBondContact ND2-OE2 3.09Å; N472-E475 PolarHBondContact O-N 3.03Å; E475-L478 PolarHBondContact O-N 3.33Å; E475-L479 HydrophobicContact CG-CD1 3.85Å; E475-L479 HydrophobicContact CG-CG 4.41Å; E475-L479 VanDerWaalsContact O-CB 3.32Å; E475-L479 WeakPolarHBondContact O-CB 3.49Å; E475-L479 VanDerWaalsContact O-CG 3.27Å; E475-L479 WeakPolarHBondContact O-CG 3.43Å; E475-L479 PolarHBondContact O-N 3.42Å
476	E	60.4	Low	56.9	Low	117 Å²	117	109 Å²	109	55%	0.547	60%	0.599	S	S	.	*	H	α-helix	trans	-66.8	-38.6	176.3	-71.7	-176.4	176.7	0	0	111.9	N472 L479 G480	N472-E476 PolarHBondContact O-N 3.27Å; E476-L479 PolarHBondContact O-N 2.8Å; E476-G480 PolarHBondContact O-N 2.9Å; E476-G480 VanDerWaalsContact O-N 3.11Å
477	E	72.5	Confident	55.3	Low	164 Å²	164	111 Å²	111	77%	0.766	62%	0.616	S	S	*	*	H	α-helix	trans	-65	-40.6	171.9	-172.1	173	-175.8	0	0	111.1	A473	A473-E477 WeakPolarHBondContact O-CB 3.45Å; A473-E477 PolarHBondContact O-N 3.44Å
478	L	75.2	Confident	54.3	Low	145 Å²	145	117.9 Å²	117.9	76%	0.759	65%	0.651	S	S	*	*	H	α-helix	trans	-67.7	-36.1	177.1	-123.8	121.8	0	0	0	113.4	E474 E475	E474-L478 HydrophobicContact CG-CD1 4.42Å; E474-L478 VanDerWaalsContact O-CB 3.31Å; E474-L478 WeakPolarHBondContact O-CB 2.93Å; E474-L478 PolarHBondContact O-N 3.26Å; E475-L478 PolarHBondContact O-N 3.33Å
479	L	65.5	Low	53.3	Low	109 Å²	109	120.3 Å²	120.3	57%	0.571	66%	0.661	S	S	*	*	H	α-helix	trans	-84.3	-11.2	-178.1	-71.3	171.9	0	0	0	113.1	E475 E476 T481	E475-L479 HydrophobicContact CG-CD1 3.85Å; E475-L479 HydrophobicContact CG-CG 4.41Å; E475-L479 VanDerWaalsContact O-CB 3.32Å; E475-L479 WeakPolarHBondContact O-CB 3.49Å; E475-L479 VanDerWaalsContact O-CG 3.27Å; E475-L479 WeakPolarHBondContact O-CG 3.43Å; E475-L479 PolarHBondContact O-N 3.42Å; E476-L479 PolarHBondContact O-N 2.8Å; L479-T481 HydrophobicContact CB-CG2 4.31Å; L479-T481 PolarHBondContact O-N 2.96Å; L479-T481 VanDerWaalsContact O-N 3.17Å
480	G	55.5	Low	52.5	Low	42 Å²	42	117.6 Å²	117.6	43%	0.433	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	64.4	18.9	174.7	0	0	0	0	0	114.3	E476 A482 T483	E476-G480 PolarHBondContact O-N 2.9Å; E476-G480 VanDerWaalsContact O-N 3.11Å; G480-A482 PolarHBondContact O-N 3.28Å; G480-T483 PolarHBondContact O-OG1 2.8Å
481	T	49.7	Very low	51.9	Low	99 Å²	99	117.3 Å²	117.3	61%	0.607	67%	0.671	S	S	*	*			trans	-72.6	-7.8	179.7	46.6	0	0	0	0	113	L479 T483	L479-T481 HydrophobicContact CB-CG2 4.31Å; L479-T481 PolarHBondContact O-N 2.96Å; L479-T481 VanDerWaalsContact O-N 3.17Å; T481-T483 PolarHBondContact O-N 3.42Å; T481-T483 VanDerWaalsContact O-N 3.11Å
482	A	44.8	Very low	51.7	Low	85 Å²	85	120.3 Å²	120.3	70%	0.702	68%	0.682	S	S	*	*			trans	-79.3	31.5	170.9	0	0	0	0	0	113.6	G480 D484	G480-A482 PolarHBondContact O-N 3.28Å; A482-D484 PolarHBondContact O-N 2.86Å
483	T	38.8	Very low	51.3	Low	112 Å²	112	124.8 Å²	124.8	69%	0.687	70%	0.697	S	S	*	*			trans	-92.8	89.4	163.8	38.3	0	0	0	0	108	G480 T481 E485	G480-T483 PolarHBondContact O-OG1 2.8Å; T481-T483 PolarHBondContact O-N 3.42Å; T481-T483 VanDerWaalsContact O-N 3.11Å; T483-E485 PolarHBondContact O-N 3.07Å
484	D	41.6	Very low	50.6	Low	140 Å²	140	124.7 Å²	124.7	75%	0.749	69%	0.69	S	S	*	*			trans	-49.4	108.1	164.7	-74.2	-38.4	0	0	0	108.5	A482 T486	A482-D484 PolarHBondContact O-N 2.86Å; D484-T486 PolarHBondContact O-N 3.42Å
485	E	40.9	Very low	49.3	Very low	179 Å²	179	123.3 Å²	123.3	84%	0.836	68%	0.684	S	S	*	*			trans	-67.2	87.5	166.5	-74.4	-160.9	161.6	0	0	107.9	T483 N487	T483-E485 PolarHBondContact O-N 3.07Å; E485-N487 PolarHBondContact O-N 2.84Å
486	T	38.3	Very low	48.1	Very low	129 Å²	129	120.6 Å²	120.6	79%	0.791	67%	0.67	S	S	*	*			trans	-62.2	99.2	168.8	50.4	0	0	0	0	108.7	D484	D484-T486 PolarHBondContact O-N 3.42Å
487	N	39.7	Very low	47.2	Very low	132 Å²	132	122.5 Å²	122.5	71%	0.706	68%	0.679	S	S	*	*			trans	-67.1	142.7	163.4	-84.9	-54.1	0	0	0	109.7	E485 N489 G490	E485-N487 PolarHBondContact O-N 2.84Å; N487-N489 PolarHBondContact O-N 3Å; N487-G490 PolarHBondContact O-N 2.83Å
488	L	50.7	Low	45.5	Very low	179 Å²	179	121.2 Å²	121.2	94%	0.937	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	3.6	-175.9	-81.8	149.9	0	0	0	116.7
489	N	46.3	Very low	43.6	Very low	143 Å²	143	119.4 Å²	119.4	77%	0.765	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	5.7	-173.9	-73.4	-9.8	0	0	0	115.2	N487 D491	N487-N489 PolarHBondContact O-N 3Å; N489-D491 PolarHBondContact O-N 3.27Å
490	G	43.1	Very low	42.1	Very low	71 Å²	71	118.7 Å²	118.7	73%	0.732	67%	0.674	S	S	*	*			trans	67.2	5.6	167.9	0	0	0	0	0	116.9	N487	N487-G490 PolarHBondContact O-N 2.83Å
491	D	42.5	Very low	41.3	Very low	134 Å²	134	121.9 Å²	121.9	72%	0.717	69%	0.685	S	S	*	*			trans	-99.5	104.2	175.8	-78.7	-24.1	0	0	0	110.3	N489 K493	N489-D491 PolarHBondContact O-N 3.27Å; D491-K493 PolarHBondContact O-N 3.27Å
492	T	45	Very low	40.6	Very low	130 Å²	130	124.9 Å²	124.9	80%	0.798	70%	0.697	S	S	*	*			trans	-71.5	89.1	169.9	-27.5	0	0	0	0	108.9	V494	T492-V494 PolarHBondContact O-N 2.92Å
493	K	41.1	Very low	40.4	Very low	190 Å²	190	126.8 Å²	126.8	83%	0.826	70%	0.7	S	S	*	*			trans	-83	104.2	169.4	-85.5	-176.1	178	177.8	0	109	D491 H495	D491-K493 PolarHBondContact O-N 3.27Å; K493-H495 PolarHBondContact O-N 2.62Å
494	V	45.3	Very low	40.5	Very low	58 Å²	58	129.5 Å²	129.5	35%	0.352	71%	0.705	S	S	.	*			trans	-72	116.5	173.7	-171.4	0	0	0	0	108	T492 F496 E565	T492-V494 PolarHBondContact O-N 2.92Å; V494-F496 PolarHBondContact O-N 2.98Å; V494-E565 HydrophobicContact CB-CG 3.97Å; V494-E565 HydrophobicContact CG1-CG 3.98Å; V494-E565 WeakPolarHBondContact CG1-OE1 3.28Å; V494-E565 HydrophobicContact CG2-CB 4.44Å; V494-E565 VanDerWaalsContact CG2-CD 3.48Å; V494-E565 HydrophobicContact CG2-CG 3.62Å; V494-E565 WeakPolarHBondContact CG2-OE1 3.37Å
495	H	37.3	Very low	40.3	Very low	125 Å²	125	124.3 Å²	124.3	58%	0.579	68%	0.681	S	S	*	*			trans	-69.5	123.9	179.8	-154.6	-87.5	0	0	0	107.6	K493 E497 D499	K493-H495 PolarHBondContact O-N 2.62Å; H495-E497 PolarHBondContact O-N 3.41Å; H495-E497 VanDerWaalsContact O-N 3.13Å; H495-D499 IonicContact CE1-OD2 3.18Å; H495-D499 PolarHBondContact CE1-OD2 2.86Å
496	F	35.5	Very low	40.2	Very low	49 Å²	49	124.9 Å²	124.9	22%	0.215	68%	0.676	C	S	.	*			trans	-81.4	103.4	171	156	-41.1	0	0	0	106.1	V494 Q498 N562	V494-F496 PolarHBondContact O-N 2.98Å; F496-Q498 VanDerWaalsContact C-N 3.25Å; F496-Q498 HydrophobicContact CD1-CB 4.08Å; F496-Q498 HydrophobicContact CE1-CB 3.93Å; F496-Q498 PolarHBondContact O-N 3.31Å; F496-N562 HydrophobicContact CB-CB 3.61Å; F496-N562 WeakPolarHBondContact CB-OD1 3.49Å; F496-N562 WeakPolarHBondContact CD1-OD1 3.19Å; F496-N562 HydrophobicContact CD2-CB 4.42Å; F496-N562 HydrophobicContact CG-CB 4.11Å; F496-N562 WeakPolarHBondContact CG-OD1 3.3Å; F496-N562 PolarHBondContact N-ND2 3.5Å
497	E	41.2	Very low	40.1	Very low	157 Å²	157	121.8 Å²	121.8	73%	0.734	66%	0.663	S	S	*	*			trans	-68.8	88.7	176.6	-74.4	-173.8	148.5	0	0	108.4	H495	H495-E497 PolarHBondContact O-N 3.41Å; H495-E497 VanDerWaalsContact O-N 3.13Å
498	Q	38.6	Very low	40.1	Very low	138 Å²	138	119.2 Å²	119.2	65%	0.645	65%	0.652	S	S	*	*			trans	-121.5	59.4	151.5	-157.5	174	25.9	0	0	106.2	F496	F496-Q498 VanDerWaalsContact C-N 3.25Å; F496-Q498 HydrophobicContact CD1-CB 4.08Å; F496-Q498 HydrophobicContact CE1-CB 3.93Å; F496-Q498 PolarHBondContact O-N 3.31Å
499	D	34.6	Very low	39.5	Very low	106 Å²	106	116.4 Å²	116.4	57%	0.567	63%	0.634	S	S	*	*			trans	-105.8	120.8	-174.1	-116.1	-23.5	0	0	0	112.4	H495 T501	H495-D499 IonicContact CE1-OD2 3.18Å; H495-D499 PolarHBondContact CE1-OD2 2.86Å; D499-T501 VanDerWaalsContact C-N 3.29Å; D499-T501 PolarHBondContact O-N 3.42Å
500	A	33	Very low	39.4	Very low	95 Å²	95	116.5 Å²	116.5	79%	0.785	63%	0.628	S	S	*	*			trans	-72.3	77.7	-180	0	0	0	0	0	110.4
501	T	40.4	Very low	39.6	Very low	108 Å²	108	117.6 Å²	117.6	66%	0.663	61%	0.613	S	S	*	*			trans	-134.3	110.2	161.9	50.5	0	0	0	0	111.1	D499 T503 A505	D499-T501 VanDerWaalsContact C-N 3.29Å; D499-T501 PolarHBondContact O-N 3.42Å; T501-T503 PolarHBondContact O-N 3.31Å; T501-A505 WeakPolarHBondContact O-CB 3.47Å
502	L	33.1	Very low	39.7	Very low	162 Å²	162	115.3 Å²	115.3	85%	0.848	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	114.6	177.5	-83.3	80.6	0	0	0	110.8
503	T	42.2	Very low	40.2	Very low	125 Å²	125	113.3 Å²	113.3	77%	0.767	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn		162.4	-36.7	129.9	-58.1	0	0	0	0	110.1	T501	T501-T503 PolarHBondContact O-N 3.31Å
504	Q	39.9	Very low	41.4	Very low	170 Å²	170	106.3 Å²	106.3	79%	0.794	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-30.1	166.2	-103	170.8	-6.5	0	0	112.8	R506 A507	Q504-R506 PolarHBondContact O-N 3.04Å; Q504-A507 PolarHBondContact O-N 3.27Å
505	A	37.9	Very low	42.5	Very low	30 Å²	30	104.7 Å²	104.7	25%	0.248	54%	0.54	C	S	.	.	H	α-helix	trans	-51.5	-31	172.8	0	0	0	0	0	112.6	T501 A507 V508 E509	T501-A505 WeakPolarHBondContact O-CB 3.47Å; A505-A507 VanDerWaalsContact C-N 3.29Å; A505-A507 PolarHBondContact O-N 2.87Å; A505-V508 PolarHBondContact O-N 3.12Å; A505-E509 WeakPolarHBondContact O-CA 3.4Å; A505-E509 WeakPolarHBondContact O-CB 3.42Å; A505-E509 PolarHBondContact O-N 3.12Å
506	R	37.9	Very low	44.2	Very low	192 Å²	192	99.1 Å²	99.1	73%	0.725	52%	0.516	S	S	*	.	H	α-helix	trans	-62.1	-32.4	178	-112	-175.7	170	123.4	1	113.5	Q504 F510	Q504-R506 PolarHBondContact O-N 3.04Å; R506-F510 WeakPolarHBondContact O-CB 3.14Å; R506-F510 PolarHBondContact O-N 2.91Å
507	A	36.2	Very low	46.3	Very low	64 Å²	64	103 Å²	103	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-81.7	-38	-180	0	0	0	0	0	112.2	Q504 A505 F510 K511	Q504-A507 PolarHBondContact O-N 3.27Å; A505-A507 VanDerWaalsContact C-N 3.29Å; A505-A507 PolarHBondContact O-N 2.87Å; A507-F510 PolarHBondContact O-N 3.37Å; A507-K511 PolarHBondContact O-N 3.45Å
508	V	40	Very low	48.3	Very low	78 Å²	78	96.9 Å²	96.9	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-71	-43.1	175.2	-177.6	0	0	0	0	110.7	A505 F510 K511 F512	A505-V508 PolarHBondContact O-N 3.12Å; V508-F510 VanDerWaalsContact C-N 3.33Å; V508-F510 PolarHBondContact O-N 2.71Å; V508-K511 PolarHBondContact O-N 3.04Å; V508-F512 VanDerWaalsContact O-CB 3.3Å; V508-F512 WeakPolarHBondContact O-CB 3.37Å; V508-F512 PolarHBondContact O-N 2.9Å
509	E	39.5	Very low	50.8	Low	120 Å²	120	90.3 Å²	90.3	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-63.4	-37.6	171.8	-166	176.4	-154.4	0	0	110.9	A505 L513	A505-E509 WeakPolarHBondContact O-CA 3.4Å; A505-E509 WeakPolarHBondContact O-CB 3.42Å; A505-E509 PolarHBondContact O-N 3.12Å; E509-L513 HydrophobicContact CG-CD1 4.17Å; E509-L513 WeakPolarHBondContact O-CB 3.37Å; E509-L513 WeakPolarHBondContact O-CD1 2.97Å; E509-L513 PolarHBondContact O-N 3.3Å
510	F	43.9	Very low	53.5	Low	144 Å²	144	85.5 Å²	85.5	63%	0.632	45%	0.45	S	S	*	.	H	α-helix	trans	-62	-49.5	170.9	-130.8	-106.1	0	0	0	111.8	R506 A507 V508 N514	R506-F510 WeakPolarHBondContact O-CB 3.14Å; R506-F510 PolarHBondContact O-N 2.91Å; A507-F510 PolarHBondContact O-N 3.37Å; V508-F510 VanDerWaalsContact C-N 3.33Å; V508-F510 PolarHBondContact O-N 2.71Å; F510-N514 WeakPolarHBondContact O-CB 3.38Å; F510-N514 PolarHBondContact O-N 3.19Å; F510-N514 PolarHBondContact O-ND2 2.88Å; F510-N514 VanDerWaalsContact O-ND2 3.16Å; F510-N514 PolarHBondContact O-OD1 3.47Å
511	K	46.8	Very low	56.2	Low	95 Å²	95	82.2 Å²	82.2	41%	0.413	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-39	-178.3	-81.3	-171.1	176.5	-175.4	0	111.8	A507 V508 N514 Y515	A507-K511 PolarHBondContact O-N 3.45Å; V508-K511 PolarHBondContact O-N 3.04Å; K511-N514 WeakPolarHBondContact O-CA 3.23Å; K511-N514 WeakPolarHBondContact O-CB 3.45Å; K511-N514 PolarHBondContact O-N 3.47Å; K511-N514 VanDerWaalsContact O-N 3.08Å; K511-Y515 WeakPolarHBondContact O-CD2 3.31Å; K511-Y515 PolarHBondContact O-N 3.1Å
512	F	44.9	Very low	58.7	Low	85 Å²	85	77.1 Å²	77.1	37%	0.373	39%	0.389	S	S	.	.	H	α-helix	trans	-67.3	-43	177.6	-163.3	-89	0	0	0	112	G401 K403 M406 V508 N514 Y515 G516	G401-F512 VanDerWaalsContact O-CE2 3.27Å; G401-F512 WeakPolarHBondContact O-CE2 3.46Å; G401-F512 WeakPolarHBondContact O-CZ 3.37Å; K403-F512 HydrophobicContact CB-CD2 4.37Å; K403-F512 HydrophobicContact CB-CE2 4.36Å; M406-F512 HydrophobicContact SD-CE2 4.39Å; M406-F512 HydrophobicContact SD-CZ 4.23Å; V508-F512 VanDerWaalsContact O-CB 3.3Å; V508-F512 WeakPolarHBondContact O-CB 3.37Å; V508-F512 PolarHBondContact O-N 2.9Å; F512-N514 PolarHBondContact O-N 3.41Å; F512-Y515 PolarHBondContact O-N 2.97Å; F512-G516 PolarHBondContact O-N 3Å
513	L	55.5	Low	61.6	Low	89 Å²	89	69.8 Å²	69.8	47%	0.466	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-34.3	167.7	-100.7	90.3	0	0	0	111.7	E509 K517	E509-L513 HydrophobicContact CG-CD1 4.17Å; E509-L513 WeakPolarHBondContact O-CB 3.37Å; E509-L513 WeakPolarHBondContact O-CD1 2.97Å; E509-L513 PolarHBondContact O-N 3.3Å; L513-K517 WeakPolarHBondContact O-CB 3.26Å; L513-K517 WeakPolarHBondContact O-CD 3.2Å; L513-K517 WeakPolarHBondContact O-CG 3.41Å; L513-K517 PolarHBondContact O-N 2.91Å
514	N	65.7	Low	64	Low	43 Å²	43	64 Å²	64	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-42.5	-179.3	-70.8	-18.3	0	0	0	112.2	Y466 F510 K511 F512 K517 V518	Y466-N514 HydrophobicContact CE1-CB 4.32Å; F510-N514 WeakPolarHBondContact O-CB 3.38Å; F510-N514 PolarHBondContact O-N 3.19Å; F510-N514 PolarHBondContact O-ND2 2.88Å; F510-N514 VanDerWaalsContact O-ND2 3.16Å; F510-N514 PolarHBondContact O-OD1 3.47Å; K511-N514 WeakPolarHBondContact O-CA 3.23Å; K511-N514 WeakPolarHBondContact O-CB 3.45Å; K511-N514 PolarHBondContact O-N 3.47Å; K511-N514 VanDerWaalsContact O-N 3.08Å; F512-N514 PolarHBondContact O-N 3.41Å; N514-K517 PolarHBondContact O-N 2.66Å; N514-V518 VanDerWaalsContact O-CG2 3.3Å; N514-V518 WeakPolarHBondContact O-CG2 3.3Å; N514-V518 PolarHBondContact O-N 2.68Å; N514-V518 VanDerWaalsContact O-N 3.09Å
515	Y	67.8	Low	66.7	Low	24 Å²	24	56 Å²	56	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-46.1	175.8	-73.6	-68.1	0	0	0	111.7	Q407 L410 Y466 K511 F512 K517 V518 I519	Q407-Y515 HydrophobicContact CG-CD1 4.38Å; Q407-Y515 HydrophobicContact CG-CE1 3.87Å; Q407-Y515 HydrophobicContact CG-CE2 4.28Å; Q407-Y515 PolarHBondContact NE2-OH 3.2Å; L410-Y515 HydrophobicContact CD2-CD1 4.2Å; L410-Y515 HydrophobicContact CD2-CE1 4.46Å; Y466-Y515 WeakPolarHBondContact O-CE1 3.49Å; K511-Y515 WeakPolarHBondContact O-CD2 3.31Å; K511-Y515 PolarHBondContact O-N 3.1Å; F512-Y515 PolarHBondContact O-N 2.97Å; Y515-K517 PolarHBondContact O-N 2.93Å; Y515-V518 PolarHBondContact O-N 2.95Å; Y515-I519 WeakPolarHBondContact O-CB 3.41Å; Y515-I519 VanDerWaalsContact O-CG2 3.31Å; Y515-I519 WeakPolarHBondContact O-CG2 3.28Å; Y515-I519 PolarHBondContact O-N 2.95Å
516	G	73.1	Confident	69.3	Low	8 Å²	8	54.5 Å²	54.5	8%	0.082	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-46.7	174.4	0	0	0	0	0	112.6	F512 V518 I519 D520	F512-G516 PolarHBondContact O-N 3Å; G516-V518 VanDerWaalsContact C-N 3.25Å; G516-V518 PolarHBondContact O-N 3.23Å; G516-I519 PolarHBondContact O-N 3.25Å; G516-D520 VanDerWaalsContact O-CB 3.23Å; G516-D520 WeakPolarHBondContact O-CB 3.37Å; G516-D520 PolarHBondContact O-N 3.18Å
517	K	79.8	Confident	72.1	Confident	129 Å²	129	45.6 Å²	45.6	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-64.6	-24.1	178.6	-75.3	170.4	-175.5	173.4	0	114.5	L513 N514 Y515 P521	L513-K517 WeakPolarHBondContact O-CB 3.26Å; L513-K517 WeakPolarHBondContact O-CD 3.2Å; L513-K517 WeakPolarHBondContact O-CG 3.41Å; L513-K517 PolarHBondContact O-N 2.91Å; N514-K517 PolarHBondContact O-N 2.66Å; Y515-K517 PolarHBondContact O-N 2.93Å; K517-P521 WeakPolarHBondContact O-CD 3.33Å; K517-P521 VanDerWaalsContact O-CG 3.25Å; K517-P521 WeakPolarHBondContact O-CG 3.15Å
518	V	84.2	Confident	74.8	Confident	29 Å²	29	43 Å²	43	18%	0.176	21%	0.209	C	C	.	.	H	α-helix	trans	-91.4	-41.9	177.9	176.6	0	0	0	0	111.2	L410 Y466 N514 Y515 G516 L522	L410-V518 HydrophobicContact CD1-CG1 3.98Å; Y466-V518 HydrophobicContact CD1-CG2 4.04Å; Y466-V518 HydrophobicContact CD2-CG1 4.33Å; Y466-V518 HydrophobicContact CD2-CG2 4.12Å; Y466-V518 HydrophobicContact CE1-CG2 3.77Å; Y466-V518 HydrophobicContact CE2-CG2 3.86Å; Y466-V518 HydrophobicContact CG-CG2 4.21Å; N514-V518 VanDerWaalsContact O-CG2 3.3Å; N514-V518 WeakPolarHBondContact O-CG2 3.3Å; N514-V518 PolarHBondContact O-N 2.68Å; N514-V518 VanDerWaalsContact O-N 3.09Å; Y515-V518 PolarHBondContact O-N 2.95Å; G516-V518 VanDerWaalsContact C-N 3.25Å; G516-V518 PolarHBondContact O-N 3.23Å; V518-L522 WeakPolarHBondContact O-CD1 3.45Å
519	I	89.8	Confident	77.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-74	-37.9	-177.3	-158.6	175	0	0	0	112.3	M406 D409 L410 V413 Y515 G516 L522 L523	M406-I519 HydrophobicContact CE-CG2 3.96Å; D409-I519 HydrophobicContact CB-CD1 3.62Å; L410-I519 HydrophobicContact CB-CD1 4.45Å; L410-I519 HydrophobicContact CD1-CB 4.35Å; L410-I519 HydrophobicContact CD1-CG1 4.39Å; V413-I519 HydrophobicContact CG2-CD1 4.41Å; V413-I519 HydrophobicContact CG2-CG1 4.36Å; Y515-I519 WeakPolarHBondContact O-CB 3.41Å; Y515-I519 VanDerWaalsContact O-CG2 3.31Å; Y515-I519 WeakPolarHBondContact O-CG2 3.28Å; Y515-I519 PolarHBondContact O-N 2.95Å; G516-I519 PolarHBondContact O-N 3.25Å; I519-L522 WeakPolarHBondContact O-CB 3.49Å; I519-L522 PolarHBondContact O-N 3.35Å; I519-L522 VanDerWaalsContact O-N 3.12Å; I519-L523 HydrophobicContact CD1-CD1 4.29Å; I519-L523 HydrophobicContact CG1-CD1 3.91Å; I519-L523 HydrophobicContact CG1-CG 4.11Å; I519-L523 HydrophobicContact CG2-CD1 4.42Å; I519-L523 WeakPolarHBondContact O-CG 3.49Å; I519-L523 PolarHBondContact O-N 3.2Å
520	D	91.7	Very high	79.9	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-45.6	-174.7	-70.1	-11.3	0	0	0	112.6	S176 L177 G516 L522 L523 L524 R556	S176-D520 WeakPolarHBondContact CA-OD2 3.34Å; S176-D520 WeakPolarHBondContact CB-OD2 3.36Å; S176-D520 PolarHBondContact OG-OD2 2.88Å; L177-D520 WeakPolarHBondContact CB-OD1 3.47Å; L177-D520 HydrophobicContact CD1-CB 4.25Å; L177-D520 HydrophobicContact CG-CB 4.24Å; L177-D520 PolarHBondContact N-OD2 2.71Å; G516-D520 VanDerWaalsContact O-CB 3.23Å; G516-D520 WeakPolarHBondContact O-CB 3.37Å; G516-D520 PolarHBondContact O-N 3.18Å; D520-L522 VanDerWaalsContact C-N 3.28Å; D520-L522 PolarHBondContact O-N 2.95Å; D520-L523 PolarHBondContact O-N 2.67Å; D520-L524 WeakPolarHBondContact O-CB 3.4Å; D520-L524 VanDerWaalsContact O-CG 3.31Å; D520-L524 WeakPolarHBondContact O-CG 3.32Å; D520-L524 PolarHBondContact O-N 3.16Å; D520-R556 VanDerWaalsContact CG-NH2 3.27Å; D520-R556 IonicContact OD1-CZ 3.74Å; D520-R556 IonicContact OD1-NE 3.84Å; D520-R556 IonicContact OD1-NH2 3.48Å; D520-R556 PolarHBondContact OD1-NH2 2.92Å; D520-R556 IonicContact OD2-NH2 3.26Å; D520-R556 PolarHBondContact OD2-NH2 3.38Å
521	P	91	Very high	82.3	Confident	27 Å²	27	27.8 Å²	27.8	18%	0.175	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-35.3	173.2	-26.2	35.7	0	0	0	113.8	V172 L459 K517 Y525	V172-P521 HydrophobicContact CG1-CB 4.12Å; V172-P521 HydrophobicContact CG1-CG 4.48Å; L459-P521 HydrophobicContact CD2-CB 4.07Å; K517-P521 WeakPolarHBondContact O-CD 3.33Å; K517-P521 VanDerWaalsContact O-CG 3.25Å; K517-P521 WeakPolarHBondContact O-CG 3.15Å; P521-Y525 VanDerWaalsContact O-CB 3.29Å; P521-Y525 WeakPolarHBondContact O-CB 3.26Å; P521-Y525 PolarHBondContact O-N 3.19Å
522	L	92.2	Very high	84.6	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-71.9	-40.2	178.1	-66.5	165.7	0	0	0	111.9	L410 V413 A414 V417 L459 L460 I463 V518 I519 D520 Y525 L526	L410-L522 HydrophobicContact CD1-CD1 3.78Å; V413-L522 HydrophobicContact CG1-CB 3.48Å; V413-L522 VanDerWaalsContact CG1-CB 3.48Å; V413-L522 HydrophobicContact CG1-CD1 4.32Å; V413-L522 HydrophobicContact CG1-CG 4.49Å; A414-L522 HydrophobicContact CB-CD1 4.41Å; V417-L522 HydrophobicContact CG2-CD2 4.25Å; L459-L522 HydrophobicContact CB-CD2 3.66Å; L459-L522 HydrophobicContact CD1-CD2 4.35Å; L460-L522 HydrophobicContact CD2-CD2 3.82Å; L460-L522 HydrophobicContact CG-CD2 4.5Å; I463-L522 HydrophobicContact CD1-CD1 3.5Å; V518-L522 WeakPolarHBondContact O-CD1 3.45Å; I519-L522 WeakPolarHBondContact O-CB 3.49Å; I519-L522 PolarHBondContact O-N 3.35Å; I519-L522 VanDerWaalsContact O-N 3.12Å; D520-L522 VanDerWaalsContact C-N 3.28Å; D520-L522 PolarHBondContact O-N 2.95Å; L522-Y525 WeakPolarHBondContact O-CB 3.37Å; L522-Y525 PolarHBondContact O-N 2.86Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 2.9Å
523	L	93.7	Very high	86.9	Confident	8 Å²	8	19.5 Å²	19.5	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-65.2	-43.4	174.7	-72.9	172.9	0	0	0	111.2	L177 V413 I519 D520 Y525 L526 R527 Y534 Y535	L177-L523 HydrophobicContact CD1-CB 3.25Å; L177-L523 HydrophobicContact CD1-CD1 3.54Å; L177-L523 HydrophobicContact CD1-CG 4.03Å; V413-L523 HydrophobicContact CG1-CD2 4.26Å; V413-L523 HydrophobicContact CG1-CG 4.44Å; V413-L523 HydrophobicContact CG2-CD2 3.49Å; V413-L523 VanDerWaalsContact CG2-CD2 3.49Å; V413-L523 HydrophobicContact CG2-CG 4.18Å; I519-L523 HydrophobicContact CD1-CD1 4.29Å; I519-L523 HydrophobicContact CG1-CD1 3.91Å; I519-L523 HydrophobicContact CG1-CG 4.11Å; I519-L523 HydrophobicContact CG2-CD1 4.42Å; I519-L523 WeakPolarHBondContact O-CG 3.49Å; I519-L523 PolarHBondContact O-N 3.2Å; D520-L523 PolarHBondContact O-N 2.67Å; L523-Y525 VanDerWaalsContact C-N 3.33Å; L523-Y525 PolarHBondContact O-N 2.65Å; L523-L526 PolarHBondContact O-N 2.96Å; L523-R527 WeakPolarHBondContact O-CB 3.2Å; L523-R527 PolarHBondContact O-N 3.04Å; L523-Y534 HydrophobicContact CD2-CD1 3.5Å; L523-Y534 VanDerWaalsContact CD2-CD1 3.5Å; L523-Y534 HydrophobicContact CD2-CD2 4.17Å; L523-Y534 HydrophobicContact CD2-CE1 4.33Å; L523-Y534 HydrophobicContact CD2-CG 3.4Å; L523-Y534 VanDerWaalsContact CD2-CG 3.4Å; L523-Y535 HydrophobicContact CD1-CE2 3.9Å
524	L	93.6	Very high	88.8	Confident	4 Å²	4	15.5 Å²	15.5	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-62.8	-39.2	173.1	-72.3	173.2	0	0	0	111.7	F163 V172 C175 L177 L185 L188 D520 R527 I528 I553	F163-L524 HydrophobicContact CE2-CB 4.21Å; V172-L524 HydrophobicContact CG1-CD1 3.95Å; C175-L524 HydrophobicContact CB-CD1 4.15Å; L177-L524 HydrophobicContact CD1-CG 4.41Å; L177-L524 HydrophobicContact CD2-CD2 3.92Å; L177-L524 HydrophobicContact CD2-CG 4.33Å; L177-L524 HydrophobicContact CG-CG 4.47Å; L185-L524 HydrophobicContact CD2-CD2 4.12Å; L188-L524 HydrophobicContact CD2-CD1 3.87Å; L188-L524 HydrophobicContact CD2-CD2 3.8Å; L188-L524 HydrophobicContact CD2-CG 4.42Å; D520-L524 WeakPolarHBondContact O-CB 3.4Å; D520-L524 VanDerWaalsContact O-CG 3.31Å; D520-L524 WeakPolarHBondContact O-CG 3.32Å; D520-L524 PolarHBondContact O-N 3.16Å; L524-R527 PolarHBondContact O-N 2.96Å; L524-I528 HydrophobicContact CB-CD1 4.43Å; L524-I528 VanDerWaalsContact O-CB 3.31Å; L524-I528 WeakPolarHBondContact O-CB 3.22Å; L524-I528 WeakPolarHBondContact O-CG1 3.3Å; L524-I528 PolarHBondContact O-N 3.22Å; L524-I553 HydrophobicContact CD2-CD1 4.23Å
525	Y	94.7	Very high	90.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-51.5	173.6	177.8	-94.3	0	0	0	111.7	L160 F163 M164 V417 D421 L459 P521 L522 L523 R527 I528 V529 H530	L160-Y525 HydrophobicContact CD1-CE2 3.49Å; L160-Y525 VanDerWaalsContact CD1-CE2 3.49Å; F163-Y525 AromaticContact CD1-CD2 3.72Å; F163-Y525 HydrophobicContact CD1-CD2 3.72Å; F163-Y525 HydrophobicContact CD1-CE2 4.37Å; F163-Y525 AromaticContact CE1-CD2 3.48Å; F163-Y525 HydrophobicContact CE1-CD2 3.48Å; F163-Y525 VanDerWaalsContact CE1-CD2 3.48Å; F163-Y525 HydrophobicContact CE1-CE2 4.44Å; F163-Y525 HydrophobicContact CE1-CG 4.25Å; F163-Y525 HydrophobicContact CZ-CD2 4.16Å; M164-Y525 HydrophobicContact CE-CE2 4.35Å; V417-Y525 HydrophobicContact CG1-CD1 3.94Å; V417-Y525 HydrophobicContact CG1-CE1 3.75Å; V417-Y525 HydrophobicContact CG2-CD1 4.01Å; D421-Y525 WeakPolarHBondContact OD1-CE1 3.34Å; D421-Y525 PolarHBondContact OD1-OH 3.41Å; D421-Y525 PolarHBondContact OD2-OH 2.82Å; L459-Y525 HydrophobicContact CD1-CD2 3.81Å; L459-Y525 HydrophobicContact CD1-CG 3.83Å; P521-Y525 VanDerWaalsContact O-CB 3.29Å; P521-Y525 WeakPolarHBondContact O-CB 3.26Å; P521-Y525 PolarHBondContact O-N 3.19Å; L522-Y525 WeakPolarHBondContact O-CB 3.37Å; L522-Y525 PolarHBondContact O-N 2.86Å; L523-Y525 VanDerWaalsContact C-N 3.33Å; L523-Y525 PolarHBondContact O-N 2.65Å; Y525-R527 VanDerWaalsContact C-N 3.26Å; Y525-R527 PolarHBondContact O-N 3.11Å; Y525-I528 PolarHBondContact O-N 2.93Å; Y525-V529 HydrophobicContact CD2-CB 4.42Å; Y525-V529 HydrophobicContact CD2-CG2 3.72Å; Y525-V529 HydrophobicContact CE2-CB 4.25Å; Y525-V529 HydrophobicContact CE2-CG1 4.4Å; Y525-V529 HydrophobicContact CE2-CG2 3.71Å; Y525-V529 HydrophobicContact CG-CG2 4.33Å; Y525-V529 VanDerWaalsContact O-CB 3.25Å; Y525-V529 WeakPolarHBondContact O-CB 3.21Å; Y525-V529 WeakPolarHBondContact O-CG2 3.42Å; Y525-V529 PolarHBondContact O-N 3.32Å; Y525-H530 AromaticContact CE1-CD2 3.67Å; Y525-H530 AromaticContact CE1-NE2 3.59Å
526	L	94.2	Very high	91.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.7	-42.5	176.3	-76	177.4	0	0	0	111.6	V413 L416 V417 Y420 L522 L523 H530 S531 V532	V413-L526 HydrophobicContact CG1-CD1 3.91Å; L416-L526 HydrophobicContact CB-CD1 4.15Å; L416-L526 HydrophobicContact CB-CD2 4.29Å; L416-L526 HydrophobicContact CD1-CD1 4.45Å; V417-L526 HydrophobicContact CB-CD2 4.45Å; V417-L526 HydrophobicContact CG2-CD1 4.17Å; V417-L526 HydrophobicContact CG2-CD2 3.67Å; V417-L526 HydrophobicContact CG2-CG 3.68Å; Y420-L526 HydrophobicContact CD2-CD2 4.17Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 2.9Å; L523-L526 PolarHBondContact O-N 2.96Å; L526-H530 CarbonylContact O-C 3.58Å; L526-H530 WeakPolarHBondContact O-CA 3.39Å; L526-H530 WeakPolarHBondContact O-CB 3.44Å; L526-H530 PolarHBondContact O-N 3.33Å; L526-S531 PolarHBondContact O-N 3.07Å; L526-S531 VanDerWaalsContact O-N 3.13Å; L526-V532 CarbonylContact C-O 3.55Å; L526-V532 HydrophobicContact CB-CB 4.4Å; L526-V532 PolarHBondContact O-N 3.32Å
527	R	94.8	Very high	92.2	Very high	5 Å²	5	17.1 Å²	17.1	2%	0.019	8%	0.084	C	C	.	.	H	α-helix	trans	-72.6	-42.1	-177.2	-177.1	61.6	-170.5	90.9	-7	113.7	L523 L524 Y525 S531 V532 E543 L552 I553	L523-R527 WeakPolarHBondContact O-CB 3.2Å; L523-R527 PolarHBondContact O-N 3.04Å; L524-R527 PolarHBondContact O-N 2.96Å; Y525-R527 VanDerWaalsContact C-N 3.26Å; Y525-R527 PolarHBondContact O-N 3.11Å; R527-S531 VanDerWaalsContact O-CA 3.32Å; R527-S531 WeakPolarHBondContact O-CA 3.49Å; R527-S531 PolarHBondContact O-N 3.25Å; R527-V532 VanDerWaalsContact CA-O 3.22Å; R527-V532 WeakPolarHBondContact CA-O 3.32Å; R527-V532 PolarHBondContact N-O 3.36Å; R527-E543 IonicContact CZ-OE1 3.61Å; R527-E543 IonicContact CZ-OE2 3.3Å; R527-E543 VanDerWaalsContact NH1-CD 3.33Å; R527-E543 IonicContact NH1-OE1 3.84Å; R527-E543 PolarHBondContact NH1-OE1 3.36Å; R527-E543 VanDerWaalsContact NH1-OE1 3.14Å; R527-E543 IonicContact NH1-OE2 2.65Å; R527-E543 PolarHBondContact NH1-OE2 2.82Å; R527-E543 IonicContact NH2-OE1 3.33Å; R527-E543 PolarHBondContact NH2-OE1 3.45Å; R527-E543 IonicContact NH2-OE2 3.36Å; R527-L552 VanDerWaalsContact CZ-O 3.24Å; R527-L552 PolarHBondContact NE-O 3.18Å; R527-L552 PolarHBondContact NH2-O 3.2Å; R527-I553 HydrophobicContact CG-CD1 4.05Å; R527-I553 HydrophobicContact CG-CG1 4.25Å
528	I	94.1	Very high	92.6	Very high	8 Å²	8	11.5 Å²	11.5	4%	0.041	6%	0.063	C	C	.	.	H	α-helix	trans	-83.3	-43.1	-174.8	-67.6	166.5	0	0	0	111.1	R159 F163 L188 V192 L524 Y525	R159-I528 WeakPolarHBondContact CD-O 3.46Å; F163-I528 HydrophobicContact CB-CG2 4.03Å; F163-I528 HydrophobicContact CD2-CB 3.97Å; F163-I528 HydrophobicContact CD2-CD1 3.73Å; F163-I528 HydrophobicContact CD2-CG1 4.45Å; F163-I528 HydrophobicContact CD2-CG2 3.96Å; F163-I528 HydrophobicContact CE2-CD1 3.98Å; F163-I528 HydrophobicContact CG-CG2 4.43Å; L188-I528 HydrophobicContact CD2-CD1 4.22Å; L188-I528 HydrophobicContact CG-CD1 4.43Å; V192-I528 HydrophobicContact CG1-CG2 3.88Å; V192-I528 HydrophobicContact CG2-CD1 3.87Å; V192-I528 HydrophobicContact CG2-CG1 4.19Å; V192-I528 HydrophobicContact CG2-CG2 4.01Å; L524-I528 HydrophobicContact CB-CD1 4.43Å; L524-I528 VanDerWaalsContact O-CB 3.31Å; L524-I528 WeakPolarHBondContact O-CB 3.22Å; L524-I528 WeakPolarHBondContact O-CG1 3.3Å; L524-I528 PolarHBondContact O-N 3.22Å; Y525-I528 PolarHBondContact O-N 2.93Å
529	V	94	Very high	92.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-84.1	-52.6	-174.8	-178.2	0	0	0	0	111.1	T156 L160 F163 L426 Y525	T156-V529 HydrophobicContact CG2-CG1 3.82Å; L160-V529 HydrophobicContact CB-CG1 3.99Å; L160-V529 HydrophobicContact CD1-CG1 4.33Å; L160-V529 HydrophobicContact CD1-CG2 4.25Å; F163-V529 HydrophobicContact CB-CG2 3.8Å; F163-V529 HydrophobicContact CD1-CG2 4.25Å; F163-V529 HydrophobicContact CG-CG2 3.98Å; L426-V529 HydrophobicContact CD1-CG1 4.02Å; Y525-V529 HydrophobicContact CD2-CB 4.42Å; Y525-V529 HydrophobicContact CD2-CG2 3.72Å; Y525-V529 HydrophobicContact CE2-CB 4.25Å; Y525-V529 HydrophobicContact CE2-CG1 4.4Å; Y525-V529 HydrophobicContact CE2-CG2 3.71Å; Y525-V529 HydrophobicContact CG-CG2 4.33Å; Y525-V529 VanDerWaalsContact O-CB 3.25Å; Y525-V529 WeakPolarHBondContact O-CB 3.21Å; Y525-V529 WeakPolarHBondContact O-CG2 3.42Å; Y525-V529 PolarHBondContact O-N 3.32Å
530	H	93	Very high	93	Very high	22 Å²	22	13.2 Å²	13.2	10%	0.102	7%	0.069	C	C	.	.	S	Bend	trans	-97.5	-1.9	-172.9	-65.1	-65.8	0	0	0	113.8	Y420 D421 L426 Y525 L526 V532	Y420-H530 HydrophobicContact CD1-CB 4.22Å; Y420-H530 HydrophobicContact CG-CB 4.33Å; D421-H530 IonicContact OD1-CD2 3.71Å; D421-H530 IonicContact OD1-CE1 2.99Å; D421-H530 IonicContact OD1-NE2 2.96Å; D421-H530 PolarHBondContact OD1-NE2 2.96Å; L426-H530 VanDerWaalsContact CD1-CE1 3.49Å; L426-H530 WeakPolarHBondContact CD1-CE1 3.16Å; Y525-H530 AromaticContact CE1-CD2 3.67Å; Y525-H530 AromaticContact CE1-NE2 3.59Å; L526-H530 CarbonylContact O-C 3.58Å; L526-H530 WeakPolarHBondContact O-CA 3.39Å; L526-H530 WeakPolarHBondContact O-CB 3.44Å; L526-H530 PolarHBondContact O-N 3.33Å; H530-V532 HydrophobicContact CB-CG2 3.97Å; H530-V532 PolarHBondContact O-N 2.93Å
531	S	93.8	Very high	92.7	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.014	9%	0.092	C	C	.	.			trans	56.1	36.3	-176.5	-71.1	0	0	0	0	113.2	R159 L526 R527 Y540 E543	R159-S531 PolarHBondContact NH1-OG 3.05Å; L526-S531 PolarHBondContact O-N 3.07Å; L526-S531 VanDerWaalsContact O-N 3.13Å; R527-S531 VanDerWaalsContact O-CA 3.32Å; R527-S531 WeakPolarHBondContact O-CA 3.49Å; R527-S531 PolarHBondContact O-N 3.25Å; S531-Y540 VanDerWaalsContact CB-O 3.26Å; S531-Y540 WeakPolarHBondContact CB-O 3.38Å; S531-Y540 PolarHBondContact O-N 3.49Å; S531-E543 WeakPolarHBondContact CB-OE2 3.44Å; S531-E543 PolarHBondContact OG-OE2 3.09Å
532	V	94	Very high	92.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.8	179	-177	0	0	0	0	110.4	Y420 L526 R527 H530 E539 L582	Y420-V532 HydrophobicContact CD1-CG2 4.45Å; Y420-V532 HydrophobicContact CE1-CG2 3.83Å; Y420-V532 HydrophobicContact CE2-CG2 4.03Å; L526-V532 CarbonylContact C-O 3.55Å; L526-V532 HydrophobicContact CB-CB 4.4Å; L526-V532 PolarHBondContact O-N 3.32Å; R527-V532 VanDerWaalsContact CA-O 3.22Å; R527-V532 WeakPolarHBondContact CA-O 3.32Å; R527-V532 PolarHBondContact N-O 3.36Å; H530-V532 HydrophobicContact CB-CG2 3.97Å; H530-V532 PolarHBondContact O-N 2.93Å; V532-E539 HydrophobicContact CG2-CG 4.26Å; V532-L582 HydrophobicContact CG1-CD1 4.31Å
533	D	94.4	Very high	92.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	99.9	174.7	-170.4	-11.5	0	0	0	109.8	N536 H537 G538 Y540 H554	D533-N536 HydrophobicContact CB-CB 3.97Å; D533-N536 PolarHBondContact O-N 2.85Å; D533-H537 PolarHBondContact O-N 2.93Å; D533-G538 PolarHBondContact N-O 3.37Å; D533-G538 PolarHBondContact O-N 3.36Å; D533-Y540 HydrophobicContact CB-CE2 3.67Å; D533-Y540 PolarHBondContact OD2-OH 3.27Å; D533-H554 PolarHBondContact OD1-N 2.95Å; D533-H554 IonicContact OD1-ND1 2.71Å; D533-H554 IonicContact OD2-CE1 2.95Å; D533-H554 IonicContact OD2-CG 2.73Å; D533-H554 PolarHBondContact OD2-N 3.06Å; D533-H554 IonicContact OD2-ND1 2.76Å; D533-H554 PolarHBondContact OD2-ND1 3Å
534	Y	94.7	Very high	92.4	Very high	6 Å²	6	19.4 Å²	19.4	2%	0.024	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-49.8	-170.8	179.8	-101.7	0	0	0	112.9	D409 H412 V413 L416 L523 N536 H537 F575 L579	D409-Y534 VanDerWaalsContact CA-OH 3.28Å; D409-Y534 WeakPolarHBondContact CA-OH 3.42Å; D409-Y534 HydrophobicContact CB-CE1 3.99Å; D409-Y534 WeakPolarHBondContact CB-OH 3.49Å; D409-Y534 VanDerWaalsContact CG-OH 3.28Å; D409-Y534 PolarHBondContact OD1-OH 3.05Å; H412-Y534 HydrophobicContact CB-CE2 4.32Å; V413-Y534 HydrophobicContact CB-CE2 4.49Å; V413-Y534 HydrophobicContact CG2-CD1 4.17Å; V413-Y534 HydrophobicContact CG2-CD2 3.67Å; V413-Y534 HydrophobicContact CG2-CE1 3.94Å; V413-Y534 HydrophobicContact CG2-CE2 3.41Å; V413-Y534 VanDerWaalsContact CG2-CE2 3.41Å; V413-Y534 HydrophobicContact CG2-CG 4.04Å; L416-Y534 HydrophobicContact CD1-CD2 3.82Å; L416-Y534 HydrophobicContact CD1-CE2 3.88Å; L523-Y534 HydrophobicContact CD2-CD1 3.5Å; L523-Y534 VanDerWaalsContact CD2-CD1 3.5Å; L523-Y534 HydrophobicContact CD2-CD2 4.17Å; L523-Y534 HydrophobicContact CD2-CE1 4.33Å; L523-Y534 HydrophobicContact CD2-CG 3.4Å; L523-Y534 VanDerWaalsContact CD2-CG 3.4Å; Y534-N536 VanDerWaalsContact C-N 3.28Å; Y534-N536 PolarHBondContact O-N 3.19Å; Y534-H537 PolarHBondContact O-N 2.81Å; Y534-H537 VanDerWaalsContact O-N 3.12Å; Y534-F575 HydrophobicContact CD1-CE1 4.43Å; Y534-F575 HydrophobicContact CD1-CZ 4.15Å; Y534-F575 AromaticContact CE1-CE1 3.61Å; Y534-F575 HydrophobicContact CE1-CE1 3.61Å; Y534-F575 AromaticContact CE1-CZ 3.69Å; Y534-F575 HydrophobicContact CE1-CZ 3.69Å; Y534-F575 HydrophobicContact CE2-CE1 4.38Å; Y534-F575 AromaticContact CZ-CE1 3.59Å; Y534-F575 WeakPolarHBondContact OH-CE1 3.32Å; Y534-L579 HydrophobicContact CD2-CD2 4.25Å; Y534-L579 HydrophobicContact CE2-CD1 3.82Å; Y534-L579 HydrophobicContact CE2-CD2 4.05Å
535	Y	94.1	Very high	92.3	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.035	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.6	-176.9	-68.7	-57.2	0	0	0	113.1	V396 T400 L523 H554 R556 F575	V396-Y535 HydrophobicContact CG2-CD1 4.17Å; V396-Y535 HydrophobicContact CG2-CD2 4.39Å; V396-Y535 HydrophobicContact CG2-CG 3.89Å; T400-Y535 HydrophobicContact CG2-CD1 4.05Å; T400-Y535 HydrophobicContact CG2-CE1 3.99Å; L523-Y535 HydrophobicContact CD1-CE2 3.9Å; Y535-H554 WeakPolarHBondContact CD2-O 3.19Å; Y535-R556 HydrophobicContact CE1-CG 4.47Å; Y535-R556 HydrophobicContact CE2-CG 3.85Å; Y535-R556 WeakPolarHBondContact OH-CD 3.47Å; Y535-R556 WeakPolarHBondContact OH-CG 3.34Å; Y535-F575 HydrophobicContact CD1-CE2 4.39Å; Y535-F575 HydrophobicContact CD1-CZ 4.09Å
536	N	92.7	Very high	92.1	Very high	58 Å²	58	23.1 Å²	23.1	31%	0.31	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-14.1	170.8	-161.6	26.1	0	0	0	113.3	D533 Y534 G538 Y540 H554	D533-N536 HydrophobicContact CB-CB 3.97Å; D533-N536 PolarHBondContact O-N 2.85Å; Y534-N536 VanDerWaalsContact C-N 3.28Å; Y534-N536 PolarHBondContact O-N 3.19Å; N536-G538 PolarHBondContact O-N 3.35Å; N536-Y540 PolarHBondContact ND2-OH 3.12Å; N536-H554 WeakPolarHBondContact CB-ND1 3.33Å
537	H	90.9	Very high	92	Very high	42 Å²	42	23.5 Å²	23.5	19%	0.194	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	31.7	-169.7	-40.1	-76	0	0	0	113.5	D533 Y534 F575 L579	D533-H537 PolarHBondContact O-N 2.93Å; Y534-H537 PolarHBondContact O-N 2.81Å; Y534-H537 VanDerWaalsContact O-N 3.12Å; H537-F575 AromaticContact CE1-CD1 3.89Å; H537-F575 AromaticContact CE1-CD2 3.28Å; H537-F575 WeakPolarHBondContact CE1-CD2 3.44Å; H537-F575 AromaticContact CE1-CE1 3.7Å; H537-F575 AromaticContact CE1-CE2 3.06Å; H537-F575 WeakPolarHBondContact CE1-CE2 3.29Å; H537-F575 AromaticContact CE1-CG 3.69Å; H537-F575 AromaticContact CE1-CZ 3.28Å; H537-F575 WeakPolarHBondContact CE1-CZ 3.37Å; H537-F575 AromaticContact ND1-CZ 3.94Å; H537-F575 AromaticContact NE2-CD2 3.62Å; H537-F575 AromaticContact NE2-CE2 3.5Å; H537-F575 WeakPolarHBondContact NE2-CE2 3.42Å; H537-L579 VanDerWaalsContact ND1-CD2 3.27Å; H537-L579 WeakPolarHBondContact ND1-CD2 3.38Å
538	G	88.6	Confident	91.8	Very high	11 Å²	11	25.6 Å²	25.6	11%	0.113	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144	-172.7	0	0	0	0	0	113.2	D533 N536	D533-G538 PolarHBondContact N-O 3.37Å; D533-G538 PolarHBondContact O-N 3.36Å; N536-G538 PolarHBondContact O-N 3.35Å
539	E	90.4	Very high	91.5	Very high	62 Å²	62	25.7 Å²	25.7	29%	0.29	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.2	167.6	-55.3	-175.3	169.4	0	0	110.1	Y420 V532 P541 L582	Y420-E539 PolarHBondContact OH-OE1 3.21Å; V532-E539 HydrophobicContact CG2-CG 4.26Å; E539-P541 WeakPolarHBondContact O-CD 3.38Å; E539-L582 HydrophobicContact CG-CD2 3.52Å
540	Y	91.6	Very high	91.3	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.012	14%	0.137	C	C	.	.			trans	-111.3	71.3	172.7	-49.2	-62.7	0	0	0	110.2	D3 S531 D533 N536 N542 E543	D3-Y540 WeakPolarHBondContact OD1-CD1 2.9Å; D3-Y540 WeakPolarHBondContact OD1-CE1 3.31Å; D3-Y540 WeakPolarHBondContact OD2-CD1 3.15Å; S531-Y540 VanDerWaalsContact CB-O 3.26Å; S531-Y540 WeakPolarHBondContact CB-O 3.38Å; S531-Y540 PolarHBondContact O-N 3.49Å; D533-Y540 HydrophobicContact CB-CE2 3.67Å; D533-Y540 PolarHBondContact OD2-OH 3.27Å; N536-Y540 PolarHBondContact ND2-OH 3.12Å; Y540-N542 VanDerWaalsContact C-N 3.27Å; Y540-N542 PolarHBondContact O-N 2.85Å; Y540-E543 VanDerWaalsContact O-CB 3.3Å; Y540-E543 WeakPolarHBondContact O-CB 3.44Å; Y540-E543 PolarHBondContact O-N 3.24Å
541	P	86.9	Confident	91	Very high	79 Å²	79	25 Å²	25	51%	0.513	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.5	-169.3	25.1	-35.9	0	0	0	114.5	E539	E539-P541 WeakPolarHBondContact O-CD 3.38Å
542	N	87.8	Confident	90.9	Very high	45 Å²	45	25.6 Å²	25.6	24%	0.241	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	13.2	-177.8	-69.3	-5.1	0	0	0	112.8	Y540 D544 E545 M546	Y540-N542 VanDerWaalsContact C-N 3.27Å; Y540-N542 PolarHBondContact O-N 2.85Å; N542-D544 PolarHBondContact O-N 2.86Å; N542-E545 PolarHBondContact O-N 3.48Å; N542-M546 WeakPolarHBondContact O-CG 3.19Å; N542-M546 PolarHBondContact O-N 3.23Å
543	E	91.5	Very high	90.9	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.033	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.3	-175	-163.6	179.9	-158.4	0	0	112.3	R527 S531 Y540 E545 M546 N548 R549 C550 G551	R527-E543 IonicContact CZ-OE1 3.61Å; R527-E543 IonicContact CZ-OE2 3.3Å; R527-E543 VanDerWaalsContact NH1-CD 3.33Å; R527-E543 IonicContact NH1-OE1 3.84Å; R527-E543 PolarHBondContact NH1-OE1 3.36Å; R527-E543 VanDerWaalsContact NH1-OE1 3.14Å; R527-E543 IonicContact NH1-OE2 2.65Å; R527-E543 PolarHBondContact NH1-OE2 2.82Å; R527-E543 IonicContact NH2-OE1 3.33Å; R527-E543 PolarHBondContact NH2-OE1 3.45Å; R527-E543 IonicContact NH2-OE2 3.36Å; S531-E543 WeakPolarHBondContact CB-OE2 3.44Å; S531-E543 PolarHBondContact OG-OE2 3.09Å; Y540-E543 VanDerWaalsContact O-CB 3.3Å; Y540-E543 WeakPolarHBondContact O-CB 3.44Å; Y540-E543 PolarHBondContact O-N 3.24Å; E543-E545 VanDerWaalsContact C-N 3.27Å; E543-E545 PolarHBondContact O-N 3Å; E543-M546 PolarHBondContact O-N 3.48Å; E543-N548 WeakPolarHBondContact CG-O 3.36Å; E543-R549 VanDerWaalsContact CG-O 3.25Å; E543-R549 WeakPolarHBondContact CG-O 3.28Å; E543-R549 WeakPolarHBondContact O-CA 3.28Å; E543-R549 WeakPolarHBondContact O-CD 3.49Å; E543-C550 WeakPolarHBondContact OE1-CA 3.41Å; E543-G551 PolarHBondContact OE1-N 3.36Å
544	D	91	Very high	90.9	Very high	39 Å²	39	26.7 Å²	26.7	21%	0.209	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.5	179.4	-150.5	64.2	0	0	0	114	A155 R159 N542 R549	A155-D544 HydrophobicContact CB-CB 4.39Å; R159-D544 IonicContact CZ-OD1 3.45Å; R159-D544 IonicContact NE-OD1 3.1Å; R159-D544 VanDerWaalsContact NH2-N 3.15Å; R159-D544 IonicContact NH2-OD1 3.25Å; R159-D544 PolarHBondContact NH2-OD1 3.48Å; N542-D544 PolarHBondContact O-N 2.86Å; D544-R549 VanDerWaalsContact C-CD 3.44Å; D544-R549 WeakPolarHBondContact O-CD 3.33Å; D544-R549 PolarHBondContact O-NE 3.48Å; D544-R549 IonicContact OD1-CZ 2.68Å; D544-R549 IonicContact OD1-NE 2.77Å; D544-R549 PolarHBondContact OD1-NE 2.98Å; D544-R549 IonicContact OD1-NH2 2.82Å; D544-R549 PolarHBondContact OD1-NH2 3.28Å; D544-R549 IonicContact OD2-CZ 2.8Å; D544-R549 IonicContact OD2-NE 3.67Å; D544-R549 IonicContact OD2-NH2 3.25Å; D544-R549 PolarHBondContact OD2-NH2 3.2Å
545	E	90.3	Very high	90.9	Very high	61 Å²	61	26.4 Å²	26.4	29%	0.285	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-18.6	177.2	-58.4	-168.7	163	0	0	112.4	K323 R338 S340 N542 E543	K323-E545 IonicContact NZ-OE1 3.11Å; K323-E545 PolarHBondContact NZ-OE1 3.5Å; K323-E545 IonicContact NZ-OE2 3.84Å; K323-E545 PolarHBondContact NZ-OE2 3.02Å; R338-E545 VanDerWaalsContact CD-O 3.26Å; R338-E545 WeakPolarHBondContact CD-O 3.37Å; R338-E545 PolarHBondContact NE-O 3.26Å; S340-E545 WeakPolarHBondContact CB-O 3.24Å; S340-E545 WeakPolarHBondContact OG-CB 3.31Å; N542-E545 PolarHBondContact O-N 3.48Å; E543-E545 VanDerWaalsContact C-N 3.27Å; E543-E545 PolarHBondContact O-N 3Å
546	M	91.6	Very high	90.7	Very high	22 Å²	22	26.3 Å²	26.3	11%	0.108	14%	0.141	C	C	.	.	S	Bend	trans	-63.9	158	-179.2	-72.2	-79	84	0	0	112.1	R338 S340 W355 N542 E543 N548	R338-M546 PolarHBondContact NE-O 2.9Å; R338-M546 PolarHBondContact NH2-O 3.23Å; R338-M546 VanDerWaalsContact NH2-O 3.16Å; S340-M546 WeakPolarHBondContact OG-CE 3.47Å; W355-M546 HydrophobicContact CB-CE 3.96Å; W355-M546 HydrophobicContact CD2-CE 3.58Å; W355-M546 HydrophobicContact CD2-SD 4.16Å; W355-M546 HydrophobicContact CE3-CE 3.28Å; W355-M546 HydrophobicContact CE3-SD 4.13Å; W355-M546 HydrophobicContact CG-CE 3.89Å; W355-M546 HydrophobicContact CZ3-CE 3.95Å; W355-M546 HydrophobicContact CZ3-SD 4.45Å; N542-M546 WeakPolarHBondContact O-CG 3.19Å; N542-M546 PolarHBondContact O-N 3.23Å; E543-M546 PolarHBondContact O-N 3.48Å; M546-N548 PolarHBondContact O-N 2.9Å
547	P	91	Very high	90.3	Very high	8 Å²	8	23.9 Å²	23.9	5%	0.052	13%	0.13	C	C	.	.	S	Bend	trans	-55.5	-39	172.2	-25	33.2	0	0	0	112.6	T309 S311 W355 T357	T309-P547 PolarHBondContact OG1-O 2.8Å; S311-P547 VanDerWaalsContact CB-CG 3.48Å; S311-P547 WeakPolarHBondContact OG-CG 3.09Å; W355-P547 HydrophobicContact CB-CG 3.94Å; W355-P547 HydrophobicContact CG-CG 4.31Å; T357-P547 HydrophobicContact CG2-CB 4.11Å; T357-P547 WeakPolarHBondContact OG1-CA 3.17Å; T357-P547 WeakPolarHBondContact OG1-CG 3.24Å
548	N	90.5	Very high	89.7	Confident	49 Å²	49	25 Å²	25	26%	0.262	14%	0.143	S	C	.	.			trans	-105.3	102.3	179.2	-60.3	-45.5	0	0	0	110	L389 E543 M546 C550	L389-N548 HydrophobicContact CD1-CB 4.24Å; L389-N548 WeakPolarHBondContact CD1-ND2 3.11Å; L389-N548 WeakPolarHBondContact CG-ND2 3.43Å; E543-N548 WeakPolarHBondContact CG-O 3.36Å; M546-N548 PolarHBondContact O-N 2.9Å; N548-C550 VanDerWaalsContact C-N 3.29Å; N548-C550 PolarHBondContact O-N 2.87Å
549	R	88.8	Confident	88.8	Confident	9 Å²	9	28.2 Å²	28.2	3%	0.034	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.6	-176.3	-62.1	-76.7	-76.8	-81	17.4	114.7	R159 V193 L196 E197 R338 E543 D544	R159-R549 PolarHBondContact NH2-O 3.28Å; V193-R549 HydrophobicContact CG1-CB 4.48Å; V193-R549 HydrophobicContact CG2-CB 4.22Å; L196-R549 HydrophobicContact CD1-CB 4.26Å; E197-R549 IonicContact OE1-CZ 3.7Å; E197-R549 IonicContact OE1-NH1 3.65Å; E197-R549 PolarHBondContact OE1-NH1 3.4Å; E197-R549 IonicContact OE2-NH1 3.65Å; R338-R549 VanDerWaalsContact NH2-CD 3.32Å; E543-R549 VanDerWaalsContact CG-O 3.25Å; E543-R549 WeakPolarHBondContact CG-O 3.28Å; E543-R549 WeakPolarHBondContact O-CA 3.28Å; E543-R549 WeakPolarHBondContact O-CD 3.49Å; D544-R549 VanDerWaalsContact C-CD 3.44Å; D544-R549 WeakPolarHBondContact O-CD 3.33Å; D544-R549 PolarHBondContact O-NE 3.48Å; D544-R549 IonicContact OD1-CZ 2.68Å; D544-R549 IonicContact OD1-NE 2.77Å; D544-R549 PolarHBondContact OD1-NE 2.98Å; D544-R549 IonicContact OD1-NH2 2.82Å; D544-R549 PolarHBondContact OD1-NH2 3.28Å; D544-R549 IonicContact OD2-CZ 2.8Å; D544-R549 IonicContact OD2-NE 3.67Å; D544-R549 IonicContact OD2-NH2 3.25Å; D544-R549 PolarHBondContact OD2-NH2 3.2Å
550	C	90.5	Very high	87.7	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.02	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	80	173.1	-165.8	0	0	0	0	107.3	M189 V193 R392 E543 N548	M189-C550 WeakPolarHBondContact CE-O 3.19Å; V193-C550 HydrophobicContact CG2-CB 3.95Å; R392-C550 PolarHBondContact NH2-O 3.49Å; E543-C550 WeakPolarHBondContact OE1-CA 3.41Å; N548-C550 VanDerWaalsContact C-N 3.29Å; N548-C550 PolarHBondContact O-N 2.87Å
551	G	86.5	Confident	86.4	Confident	5 Å²	5	33.4 Å²	33.4	5%	0.052	20%	0.199	C	C	.	.			trans	-83.4	-73.8	-164.7	0	0	0	0	0	114.5	M189 R392 E543	M189-G551 WeakPolarHBondContact CE-O 3.36Å; R392-G551 PolarHBondContact NE-O 2.96Å; R392-G551 VanDerWaalsContact NE-O 3.13Å; E543-G551 PolarHBondContact OE1-N 3.36Å
552	L	92	Very high	85.4	Confident	15 Å²	15	33.2 Å²	33.2	8%	0.079	19%	0.194	C	C	.	.			trans	-108.3	144.7	-172.7	-65.7	164.2	0	0	0	111.2	L389 R391 R392 R527	L389-L552 HydrophobicContact CD1-CD2 4.45Å; L389-L552 HydrophobicContact CD1-CG 4.27Å; R391-L552 VanDerWaalsContact O-CD2 3.25Å; R391-L552 WeakPolarHBondContact O-CD2 3.41Å; R392-L552 WeakPolarHBondContact O-CA 3.19Å; R527-L552 VanDerWaalsContact CZ-O 3.24Å; R527-L552 PolarHBondContact NE-O 3.18Å; R527-L552 PolarHBondContact NH2-O 3.2Å
553	I	94.2	Very high	84.7	Confident	7 Å²	7	34.6 Å²	34.6	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.8	169	-169.9	172.3	0	0	0	109.8	L177 M189 R392 I393 R394 L524 R527 V555	L177-I553 HydrophobicContact CD2-CD1 3.71Å; M189-I553 HydrophobicContact CE-CB 4.4Å; M189-I553 HydrophobicContact CE-CG2 4.17Å; M189-I553 HydrophobicContact SD-CB 4.32Å; M189-I553 HydrophobicContact SD-CG2 3.62Å; R392-I553 PolarHBondContact O-N 3.02Å; I393-I553 HydrophobicContact CG1-CG2 3.97Å; R394-I553 PolarHBondContact N-O 3.33Å; L524-I553 HydrophobicContact CD2-CD1 4.23Å; R527-I553 HydrophobicContact CG-CD1 4.05Å; R527-I553 HydrophobicContact CG-CG1 4.25Å; I553-V555 HydrophobicContact CG2-CG1 4.42Å
554	H	94.2	Very high	84.3	Confident	20 Å²	20	37 Å²	37	9%	0.093	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.7	171.3	-68.3	71.1	0	0	0	110.3	R394 V396 D533 Y535 N536	R394-H554 WeakPolarHBondContact CD-NE2 3.47Å; R394-H554 CarbonylContact O-C 3.59Å; R394-H554 WeakPolarHBondContact O-CA 3.45Å; V396-H554 HydrophobicContact CG1-CB 4.17Å; D533-H554 PolarHBondContact OD1-N 2.95Å; D533-H554 IonicContact OD1-ND1 2.71Å; D533-H554 IonicContact OD2-CE1 2.95Å; D533-H554 IonicContact OD2-CG 2.73Å; D533-H554 PolarHBondContact OD2-N 3.06Å; D533-H554 IonicContact OD2-ND1 2.76Å; D533-H554 PolarHBondContact OD2-ND1 3Å; Y535-H554 WeakPolarHBondContact CD2-O 3.19Å; N536-H554 WeakPolarHBondContact CB-ND1 3.33Å
555	V	92.9	Very high	83.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158	-175	-61.4	0	0	0	0	110.7	L177 Q179 L185 I393 R394 A395 V396 I553 G557	L177-V555 HydrophobicContact CD2-CG1 4.33Å; Q179-V555 HydrophobicContact CB-CG2 4.4Å; L185-V555 HydrophobicContact CD1-CG1 3.65Å; I393-V555 HydrophobicContact CG2-CB 4.31Å; I393-V555 HydrophobicContact CG2-CG1 3.86Å; I393-V555 HydrophobicContact CG2-CG2 3.44Å; I393-V555 VanDerWaalsContact CG2-CG2 3.44Å; R394-V555 PolarHBondContact O-N 2.93Å; A395-V555 CarbonylContact C-O 3.58Å; A395-V555 WeakPolarHBondContact CA-O 3.42Å; V396-V555 WeakPolarHBondContact CG2-O 3.22Å; V396-V555 PolarHBondContact N-O 3.46Å; I553-V555 HydrophobicContact CG2-CG1 4.42Å; V555-G557 PolarHBondContact O-N 2.92Å
556	R	90.7	Very high	83.8	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.026	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-62.4	134.5	176.6	-63.6	-178.4	-94	123.9	-2.3	109.7	L177 D178 Q179 D520 Y535	L177-R556 WeakPolarHBondContact O-CB 3.37Å; L177-R556 PolarHBondContact O-N 2.86Å; D178-R556 WeakPolarHBondContact OD1-CB 3.27Å; D178-R556 IonicContact OD1-CZ 3.51Å; D178-R556 VanDerWaalsContact OD1-CZ 3.26Å; D178-R556 IonicContact OD1-NE 2.87Å; D178-R556 IonicContact OD1-NH1 3.91Å; D178-R556 PolarHBondContact OD1-NH1 3.28Å; D178-R556 IonicContact OD1-NH2 3Å; D178-R556 IonicContact OD2-CZ 3.93Å; D178-R556 IonicContact OD2-NH1 2.77Å; D178-R556 PolarHBondContact OD2-NH1 3.49Å; D178-R556 IonicContact OD2-NH2 3.74Å; D178-R556 PolarHBondContact OD2-NH2 3.29Å; Q179-R556 PolarHBondContact N-O 2.84Å; Q179-R556 VanDerWaalsContact N-O 3.12Å; D520-R556 VanDerWaalsContact CG-NH2 3.27Å; D520-R556 IonicContact OD1-CZ 3.74Å; D520-R556 IonicContact OD1-NE 3.84Å; D520-R556 IonicContact OD1-NH2 3.48Å; D520-R556 PolarHBondContact OD1-NH2 2.92Å; D520-R556 IonicContact OD2-NH2 3.26Å; D520-R556 PolarHBondContact OD2-NH2 3.38Å; Y535-R556 HydrophobicContact CE1-CG 4.47Å; Y535-R556 HydrophobicContact CE2-CG 3.85Å; Y535-R556 WeakPolarHBondContact OH-CD 3.47Å; Y535-R556 WeakPolarHBondContact OH-CG 3.34Å
557	G	85.6	Confident	83.6	Confident	8 Å²	8	44.2 Å²	44.2	8%	0.082	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-76.6	158.1	178.7	0	0	0	0	0	111.7	V396 V555	V396-G557 WeakPolarHBondContact O-CA 3.33Å; V396-G557 PolarHBondContact O-N 2.97Å; V555-G557 PolarHBondContact O-N 2.92Å
558	S	78.1	Confident	83.5	Confident	66 Å²	66	44 Å²	44	46%	0.462	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-54.4	134.4	176.4	-169.8	0	0	0	0	111	S398 S560	S398-S558 WeakPolarHBondContact CB-O 2.91Å; S558-S560 PolarHBondContact O-N 3.46Å
559	P	69.9	Low	83.5	Confident	78 Å²	78	45.6 Å²	45.6	51%	0.506	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-57.2	130	-175.3	22.3	-33.1	0	0	0	111
560	S	66.1	Low	83.6	Confident	51 Å²	51	50.5 Å²	50.5	36%	0.357	29%	0.288	S	S	.	.			trans	-113.2	164.4	176.8	72.1	0	0	0	0	111	S398 S558	S398-S560 WeakPolarHBondContact OG-CB 3.4Å; S398-S560 PolarHBondContact OG-OG 2.91Å; S558-S560 PolarHBondContact O-N 3.46Å
561	V	64	Low	83.7	Confident	122 Å²	122	52.1 Å²	52.1	74%	0.739	30%	0.295	S	S	*	.	S	Bend	trans	-41.3	139	-178.5	-171.3	0	0	0	0	114.2
562	N	66.5	Low	83.9	Confident	76 Å²	76	53 Å²	53	41%	0.406	30%	0.298	S	S	.	.			trans	-21.7	120.1	169.6	-56.2	7.2	0	0	0	114.9	F496	F496-N562 HydrophobicContact CB-CB 3.61Å; F496-N562 WeakPolarHBondContact CB-OD1 3.49Å; F496-N562 WeakPolarHBondContact CD1-OD1 3.19Å; F496-N562 HydrophobicContact CD2-CB 4.42Å; F496-N562 HydrophobicContact CG-CB 4.11Å; F496-N562 WeakPolarHBondContact CG-OD1 3.3Å; F496-N562 PolarHBondContact N-ND2 3.5Å
563	Q	73	Confident	83.9	Confident	74 Å²	74	60.8 Å²	60.8	35%	0.346	33%	0.326	S	S	.	.			trans	-104.8	154	176.1	-65.1	-70	-18.4	0	0	110.7	I399 F567	I399-Q563 HydrophobicContact CD1-CB 4.4Å; I399-Q563 HydrophobicContact CD1-CG 4.29Å; Q563-F567 HydrophobicContact CB-CD1 3.99Å; Q563-F567 HydrophobicContact CG-CD1 4.03Å; Q563-F567 HydrophobicContact CG-CE1 4.25Å
564	S	82.8	Confident	83.9	Confident	58 Å²	58	64.3 Å²	64.3	41%	0.406	35%	0.345	S	S	.	.			trans	-70.8	148.2	174.1	73.7	0	0	0	0	111.7	S566 F567 V568	S564-S566 PolarHBondContact O-N 3.43Å; S564-S566 PolarHBondContact OG-OG 2.91Å; S564-F567 WeakPolarHBondContact O-CB 3.3Å; S564-F567 PolarHBondContact O-N 3.43Å; S564-F567 WeakPolarHBondContact OG-CB 3.5Å; S564-F567 PolarHBondContact OG-N 2.86Å; S564-V568 PolarHBondContact O-N 2.92Å; S564-V568 VanDerWaalsContact O-N 3.12Å
565	E	83.9	Confident	83.8	Confident	111 Å²	111	64 Å²	64	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-56.9	-36.1	174.4	-78	-177	176.2	0	0	113.1	V494 F567 V568 N569	V494-E565 HydrophobicContact CB-CG 3.97Å; V494-E565 HydrophobicContact CG1-CG 3.98Å; V494-E565 WeakPolarHBondContact CG1-OE1 3.28Å; V494-E565 HydrophobicContact CG2-CB 4.44Å; V494-E565 VanDerWaalsContact CG2-CD 3.48Å; V494-E565 HydrophobicContact CG2-CG 3.62Å; V494-E565 WeakPolarHBondContact CG2-OE1 3.37Å; E565-F567 VanDerWaalsContact C-N 3.25Å; E565-F567 PolarHBondContact O-N 3.26Å; E565-V568 PolarHBondContact O-N 3.35Å; E565-N569 WeakPolarHBondContact O-CB 3.48Å; E565-N569 PolarHBondContact O-N 3.26Å; E565-N569 PolarHBondContact O-ND2 3.36Å
566	S	86.6	Confident	83.7	Confident	87 Å²	87	67.3 Å²	67.3	61%	0.608	36%	0.359	S	S	*	.	H	α-helix	trans	-58.5	-40.2	176.2	70.1	0	0	0	0	111.9	S564 E570	S564-S566 PolarHBondContact O-N 3.43Å; S564-S566 PolarHBondContact OG-OG 2.91Å; S566-E570 WeakPolarHBondContact O-CB 3.43Å; S566-E570 PolarHBondContact O-N 3.45Å
567	F	88.8	Confident	83.7	Confident	74 Å²	74	71.7 Å²	71.7	33%	0.325	39%	0.387	S	S	.	.	H	α-helix	trans	-71.2	-38.9	177.3	-177.6	-101.1	0	0	0	112.1	I399 Q563 S564 E565 E570 F571	I399-F567 HydrophobicContact CD1-CD1 3.36Å; I399-F567 HydrophobicContact CD1-CE1 3.39Å; Q563-F567 HydrophobicContact CB-CD1 3.99Å; Q563-F567 HydrophobicContact CG-CD1 4.03Å; Q563-F567 HydrophobicContact CG-CE1 4.25Å; S564-F567 WeakPolarHBondContact O-CB 3.3Å; S564-F567 PolarHBondContact O-N 3.43Å; S564-F567 WeakPolarHBondContact OG-CB 3.5Å; S564-F567 PolarHBondContact OG-N 2.86Å; E565-F567 VanDerWaalsContact C-N 3.25Å; E565-F567 PolarHBondContact O-N 3.26Å; F567-E570 PolarHBondContact O-N 3.47Å; F567-F571 WeakPolarHBondContact O-CB 3.25Å; F567-F571 PolarHBondContact O-N 2.95Å
568	V	88.1	Confident	84	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.03	41%	0.41	C	S	.	.	H	α-helix	trans	-60.8	-46.5	174.7	177.2	0	0	0	0	110.8	I399 A404 V405 S564 E565 F571 I572	I399-V568 HydrophobicContact CD1-CG2 3.98Å; A404-V568 HydrophobicContact CB-CG1 4.25Å; V405-V568 HydrophobicContact CG2-CG1 3.78Å; S564-V568 PolarHBondContact O-N 2.92Å; S564-V568 VanDerWaalsContact O-N 3.12Å; E565-V568 PolarHBondContact O-N 3.35Å; V568-F571 WeakPolarHBondContact O-CB 3.36Å; V568-F571 PolarHBondContact O-N 3.24Å; V568-I572 HydrophobicContact CG1-CD1 4.11Å; V568-I572 WeakPolarHBondContact O-CG1 3.49Å; V568-I572 PolarHBondContact O-N 2.92Å
569	N	90.2	Very high	84.5	Confident	82 Å²	82	74.5 Å²	74.5	44%	0.439	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-38.5	178.8	-73.5	-38.4	0	0	0	112.6	E565 I572 R573	E565-N569 WeakPolarHBondContact O-CB 3.48Å; E565-N569 PolarHBondContact O-N 3.26Å; E565-N569 PolarHBondContact O-ND2 3.36Å; N569-I572 PolarHBondContact O-N 3.36Å; N569-R573 WeakPolarHBondContact O-CG 3.37Å; N569-R573 PolarHBondContact O-N 3.11Å; N569-R573 VanDerWaalsContact O-N 3.12Å
570	E	91.7	Very high	85.4	Confident	112 Å²	112	74.3 Å²	74.3	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-42.7	173.1	-170.8	-174.5	164.3	0	0	111.3	S566 F567 I572 R573 N574	S566-E570 WeakPolarHBondContact O-CB 3.43Å; S566-E570 PolarHBondContact O-N 3.45Å; F567-E570 PolarHBondContact O-N 3.47Å; E570-I572 PolarHBondContact O-N 3.36Å; E570-R573 PolarHBondContact O-N 3.29Å; E570-N574 WeakPolarHBondContact O-CB 3.27Å; E570-N574 VanDerWaalsContact O-CG 3.26Å; E570-N574 PolarHBondContact O-N 3.36Å; E570-N574 PolarHBondContact O-ND2 3.36Å
571	F	92	Very high	86.3	Confident	36 Å²	36	76.1 Å²	76.1	16%	0.158	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-47.7	175.3	-178.9	-92.3	0	0	0	111.2	I399 T400 V405 F567 V568 R573 N574 F575	I399-F571 HydrophobicContact CD1-CB 4.23Å; I399-F571 HydrophobicContact CD1-CG 4.41Å; I399-F571 HydrophobicContact CG2-CD1 3.82Å; I399-F571 HydrophobicContact CG2-CD2 3.58Å; I399-F571 HydrophobicContact CG2-CE1 3.76Å; I399-F571 HydrophobicContact CG2-CE2 3.5Å; I399-F571 VanDerWaalsContact CG2-CE2 3.5Å; I399-F571 HydrophobicContact CG2-CG 3.74Å; I399-F571 HydrophobicContact CG2-CZ 3.6Å; T400-F571 HydrophobicContact CG2-CE1 4.1Å; T400-F571 HydrophobicContact CG2-CZ 3.78Å; V405-F571 HydrophobicContact CG1-CD1 4.12Å; V405-F571 HydrophobicContact CG1-CE1 3.86Å; V405-F571 HydrophobicContact CG2-CD1 4.24Å; F567-F571 WeakPolarHBondContact O-CB 3.25Å; F567-F571 PolarHBondContact O-N 2.95Å; V568-F571 WeakPolarHBondContact O-CB 3.36Å; V568-F571 PolarHBondContact O-N 3.24Å; F571-R573 PolarHBondContact O-N 2.93Å; F571-N574 PolarHBondContact O-N 3.39Å; F571-F575 HydrophobicContact CE1-CB 4.35Å; F571-F575 HydrophobicContact CE1-CD2 4.1Å; F571-F575 HydrophobicContact CE1-CG 4.39Å; F571-F575 AromaticContact CZ-CD2 3.91Å; F571-F575 HydrophobicContact CZ-CD2 3.91Å; F571-F575 WeakPolarHBondContact O-CB 3.27Å; F571-F575 PolarHBondContact O-N 3Å
572	I	91.4	Very high	87.3	Confident	23 Å²	23	71 Å²	71	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-56	-50.1	177.1	-74.3	167	0	0	0	111.2	V405 N408 V568 N569 E570 N574 F575 E576	V405-I572 HydrophobicContact CG2-CD1 4.31Å; V405-I572 HydrophobicContact CG2-CG1 4.13Å; N408-I572 HydrophobicContact CB-CD1 4.48Å; N408-I572 VanDerWaalsContact ND2-CG2 3.31Å; N408-I572 WeakPolarHBondContact ND2-CG2 3.36Å; V568-I572 HydrophobicContact CG1-CD1 4.11Å; V568-I572 WeakPolarHBondContact O-CG1 3.49Å; V568-I572 PolarHBondContact O-N 2.92Å; N569-I572 PolarHBondContact O-N 3.36Å; E570-I572 PolarHBondContact O-N 3.36Å; I572-N574 PolarHBondContact O-N 3.03Å; I572-F575 PolarHBondContact O-N 2.93Å; I572-E576 WeakPolarHBondContact O-CB 3.37Å; I572-E576 PolarHBondContact O-N 2.91Å
573	R	92.3	Very high	88.1	Confident	179 Å²	179	67.8 Å²	67.8	68%	0.675	34%	0.343	S	S	*	.	H	α-helix	trans	-63.3	-42.5	179.7	-69.5	176.1	-173.3	173.2	3.3	112.6	N569 E570 F571 T577	N569-R573 WeakPolarHBondContact O-CG 3.37Å; N569-R573 PolarHBondContact O-N 3.11Å; N569-R573 VanDerWaalsContact O-N 3.12Å; E570-R573 PolarHBondContact O-N 3.29Å; F571-R573 PolarHBondContact O-N 2.93Å; R573-T577 PolarHBondContact O-N 3.14Å; R573-T577 PolarHBondContact O-OG1 3.07Å
574	N	92.8	Very high	88.2	Confident	81 Å²	81	67.5 Å²	67.5	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-38.7	178.2	-74.3	-22.1	0	0	0	111.6	E570 F571 I572 K578	E570-N574 WeakPolarHBondContact O-CB 3.27Å; E570-N574 VanDerWaalsContact O-CG 3.26Å; E570-N574 PolarHBondContact O-N 3.36Å; E570-N574 PolarHBondContact O-ND2 3.36Å; F571-N574 PolarHBondContact O-N 3.39Å; I572-N574 PolarHBondContact O-N 3.03Å; N574-K578 WeakPolarHBondContact O-CG 3.31Å; N574-K578 PolarHBondContact O-N 3.15Å
575	F	92.2	Very high	87.4	Confident	13 Å²	13	66 Å²	66	6%	0.057	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-43.7	177.2	-165.6	-91.4	0	0	0	111.1	Y534 Y535 H537 F571 I572 T577 K578 L579	Y534-F575 HydrophobicContact CD1-CE1 4.43Å; Y534-F575 HydrophobicContact CD1-CZ 4.15Å; Y534-F575 AromaticContact CE1-CE1 3.61Å; Y534-F575 HydrophobicContact CE1-CE1 3.61Å; Y534-F575 AromaticContact CE1-CZ 3.69Å; Y534-F575 HydrophobicContact CE1-CZ 3.69Å; Y534-F575 HydrophobicContact CE2-CE1 4.38Å; Y534-F575 AromaticContact CZ-CE1 3.59Å; Y534-F575 WeakPolarHBondContact OH-CE1 3.32Å; Y535-F575 HydrophobicContact CD1-CE2 4.39Å; Y535-F575 HydrophobicContact CD1-CZ 4.09Å; H537-F575 AromaticContact CE1-CD1 3.89Å; H537-F575 AromaticContact CE1-CD2 3.28Å; H537-F575 WeakPolarHBondContact CE1-CD2 3.44Å; H537-F575 AromaticContact CE1-CE1 3.7Å; H537-F575 AromaticContact CE1-CE2 3.06Å; H537-F575 WeakPolarHBondContact CE1-CE2 3.29Å; H537-F575 AromaticContact CE1-CG 3.69Å; H537-F575 AromaticContact CE1-CZ 3.28Å; H537-F575 WeakPolarHBondContact CE1-CZ 3.37Å; H537-F575 AromaticContact ND1-CZ 3.94Å; H537-F575 AromaticContact NE2-CD2 3.62Å; H537-F575 AromaticContact NE2-CE2 3.5Å; H537-F575 WeakPolarHBondContact NE2-CE2 3.42Å; F571-F575 HydrophobicContact CE1-CB 4.35Å; F571-F575 HydrophobicContact CE1-CD2 4.1Å; F571-F575 HydrophobicContact CE1-CG 4.39Å; F571-F575 AromaticContact CZ-CD2 3.91Å; F571-F575 HydrophobicContact CZ-CD2 3.91Å; F571-F575 WeakPolarHBondContact O-CB 3.27Å; F571-F575 PolarHBondContact O-N 3Å; I572-F575 PolarHBondContact O-N 2.93Å; F575-T577 PolarHBondContact O-N 2.95Å; F575-K578 PolarHBondContact O-N 2.92Å; F575-L579 HydrophobicContact CD1-CD1 3.58Å; F575-L579 HydrophobicContact CD1-CG 3.97Å; F575-L579 HydrophobicContact CE1-CD1 3.43Å; F575-L579 VanDerWaalsContact CE1-CD1 3.43Å; F575-L579 HydrophobicContact CE1-CD2 4.27Å; F575-L579 HydrophobicContact CE1-CG 3.83Å; F575-L579 WeakPolarHBondContact O-CG 3.38Å; F575-L579 PolarHBondContact O-N 3.33Å
576	E	91	Very high	86.6	Confident	71 Å²	71	68.8 Å²	68.8	33%	0.332	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-44.3	174.5	-178.3	171.3	-160.7	0	0	111.6	H412 I572 K578 L579 Q580	H412-E576 IonicContact CE1-OE1 2.93Å; I572-E576 WeakPolarHBondContact O-CB 3.37Å; I572-E576 PolarHBondContact O-N 2.91Å; E576-K578 VanDerWaalsContact C-N 3.26Å; E576-K578 PolarHBondContact O-N 2.91Å; E576-L579 CarbonylContact O-C 3.51Å; E576-L579 WeakPolarHBondContact O-CA 3.4Å; E576-L579 WeakPolarHBondContact O-CB 3.13Å; E576-L579 PolarHBondContact O-N 3.34Å; E576-Q580 WeakPolarHBondContact O-CG 3.37Å; E576-Q580 PolarHBondContact O-N 3.12Å
577	T	91.3	Very high	85.7	Confident	99 Å²	99	70.2 Å²	70.2	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-57.6	-39.8	176.2	-56.7	0	0	0	0	111.9	R573 F575	R573-T577 PolarHBondContact O-N 3.14Å; R573-T577 PolarHBondContact O-OG1 3.07Å; F575-T577 PolarHBondContact O-N 2.95Å
578	K	90.9	Very high	85.1	Confident	132 Å²	132	72.5 Å²	72.5	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-73.5	-28.1	175.8	-69.6	176.3	-176.8	176.4	0	113.2	N574 F575 E576 P581	N574-K578 WeakPolarHBondContact O-CG 3.31Å; N574-K578 PolarHBondContact O-N 3.15Å; F575-K578 PolarHBondContact O-N 2.92Å; E576-K578 VanDerWaalsContact C-N 3.26Å; E576-K578 PolarHBondContact O-N 2.91Å; K578-P581 WeakPolarHBondContact O-CD 3.45Å
579	L	90	Very high	84.7	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-79	-22.9	175.3	-77.5	-179.7	0	0	0	113.6	H412 Y534 H537 F575 E576 P581 L582 L583	H412-L579 HydrophobicContact CB-CD1 4.1Å; Y534-L579 HydrophobicContact CD2-CD2 4.25Å; Y534-L579 HydrophobicContact CE2-CD1 3.82Å; Y534-L579 HydrophobicContact CE2-CD2 4.05Å; H537-L579 VanDerWaalsContact ND1-CD2 3.27Å; H537-L579 WeakPolarHBondContact ND1-CD2 3.38Å; F575-L579 HydrophobicContact CD1-CD1 3.58Å; F575-L579 HydrophobicContact CD1-CG 3.97Å; F575-L579 HydrophobicContact CE1-CD1 3.43Å; F575-L579 VanDerWaalsContact CE1-CD1 3.43Å; F575-L579 HydrophobicContact CE1-CD2 4.27Å; F575-L579 HydrophobicContact CE1-CG 3.83Å; F575-L579 WeakPolarHBondContact O-CG 3.38Å; F575-L579 PolarHBondContact O-N 3.33Å; E576-L579 CarbonylContact O-C 3.51Å; E576-L579 WeakPolarHBondContact O-CA 3.4Å; E576-L579 WeakPolarHBondContact O-CB 3.13Å; E576-L579 PolarHBondContact O-N 3.34Å; L579-P581 VanDerWaalsContact C-N 3.31Å; L579-L582 HydrophobicContact CD2-CD1 4.08Å; L579-L582 WeakPolarHBondContact O-CB 3.36Å; L579-L582 PolarHBondContact O-N 2.92Å; L579-L583 HydrophobicContact CB-CD1 4.42Å; L579-L583 PolarHBondContact O-N 3.47Å
580	Q	87	Confident	84.4	Confident	74 Å²	74	72.6 Å²	72.6	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-49.4	-42.4	-177.7	-73.1	-54.5	-34.8	0	0	114	E576 L582 L583 T584	E576-Q580 WeakPolarHBondContact O-CG 3.37Å; E576-Q580 PolarHBondContact O-N 3.12Å; Q580-L582 PolarHBondContact O-N 3.06Å; Q580-L583 CarbonylContact O-C 3.56Å; Q580-L583 PolarHBondContact O-N 3.3Å; Q580-T584 WeakPolarHBondContact O-CB 3.36Å; Q580-T584 PolarHBondContact O-N 3.23Å; Q580-T584 PolarHBondContact O-OG1 2.96Å
581	P	85.7	Confident	83.9	Confident	89 Å²	89	73.7 Å²	73.7	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-59.5	-29	177.1	-25.4	36	0	0	0	114.6	K578 L579	K578-P581 WeakPolarHBondContact O-CD 3.45Å; L579-P581 VanDerWaalsContact C-N 3.31Å
582	L	85.7	Confident	83.6	Confident	14 Å²	14	78.6 Å²	78.6	7%	0.073	39%	0.39	C	S	.	.	H	α-helix	trans	-78.4	-33.9	174.7	-59.2	177.4	0	0	0	111.4	L416 V532 E539 L579 Q580	L416-L582 HydrophobicContact CD2-CB 3.93Å; V532-L582 HydrophobicContact CG1-CD1 4.31Å; E539-L582 HydrophobicContact CG-CD2 3.52Å; L579-L582 HydrophobicContact CD2-CD1 4.08Å; L579-L582 WeakPolarHBondContact O-CB 3.36Å; L579-L582 PolarHBondContact O-N 2.92Å; Q580-L582 PolarHBondContact O-N 3.06Å
583	L	82.1	Confident	83.2	Confident	9 Å²	9	81.8 Å²	81.8	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-80.9	-24.3	180	-70	169.8	0	0	0	114.2	R415 L416 M419 L579 Q580 G585	R415-L583 HydrophobicContact CG-CD2 4.12Å; L416-L583 HydrophobicContact CD2-CD2 3.54Å; L416-L583 HydrophobicContact CD2-CG 4Å; L416-L583 HydrophobicContact CG-CD2 3.86Å; M419-L583 WeakPolarHBondContact CE-O 3.19Å; M419-L583 HydrophobicContact SD-CD2 4.16Å; L579-L583 HydrophobicContact CB-CD1 4.42Å; L579-L583 PolarHBondContact O-N 3.47Å; Q580-L583 CarbonylContact O-C 3.56Å; Q580-L583 PolarHBondContact O-N 3.3Å; L583-G585 VanDerWaalsContact C-N 3.27Å; L583-G585 PolarHBondContact O-N 2.96Å
584	T	75.1	Confident	82.9	Confident	69 Å²	69	73.3 Å²	73.3	42%	0.423	37%	0.372	S	S	.	.	S	Bend	trans	-81.4	-9.7	-173.7	-46.8	0	0	0	0	112.4	Q580 E587	Q580-T584 WeakPolarHBondContact O-CB 3.36Å; Q580-T584 PolarHBondContact O-N 3.23Å; Q580-T584 PolarHBondContact O-OG1 2.96Å; T584-E587 HydrophobicContact CG2-CG 4.19Å; T584-E587 WeakPolarHBondContact CG2-OE1 3.34Å
585	G	66.8	Low	82.6	Confident	25 Å²	25	76.3 Å²	76.3	26%	0.258	38%	0.384	S	S	.	.			trans	72	-172.5	-179.1	0	0	0	0	0	112.8	L583 E587	L583-G585 VanDerWaalsContact C-N 3.27Å; L583-G585 PolarHBondContact O-N 2.96Å; G585-E587 PolarHBondContact O-N 2.72Å
586	K	67.3	Low	82.3	Confident	170 Å²	170	81.5 Å²	81.5	74%	0.739	41%	0.406	S	S	*	.			trans	-88.6	96.9	178.2	-74.1	-175.6	179.6	-176	0	106.3	K588	K586-K588 PolarHBondContact O-N 2.97Å
587	E	67.5	Low	81.9	Confident	117 Å²	117	78.8 Å²	78.8	55%	0.547	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-57.9	131.3	175.7	-68.3	174	166.5	0	0	109.9	T584 G585 P666	T584-E587 HydrophobicContact CG2-CG 4.19Å; T584-E587 WeakPolarHBondContact CG2-OE1 3.34Å; G585-E587 PolarHBondContact O-N 2.72Å; E587-P666 HydrophobicContact CB-CG 4.23Å; E587-P666 VanDerWaalsContact O-CD 3.22Å; E587-P666 WeakPolarHBondContact O-CD 3.46Å; E587-P666 WeakPolarHBondContact O-CG 3.46Å
588	K	76	Confident	81.6	Confident	123 Å²	123	75.3 Å²	75.3	54%	0.535	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-102.1	140	164.7	-68.9	178.7	177.7	175.1	0	106.5	D440 K586	D440-K588 IonicContact OD1-NZ 3.22Å; D440-K588 PolarHBondContact OD1-NZ 3.05Å; D440-K588 IonicContact OD2-NZ 3.88Å; D440-K588 PolarHBondContact OD2-NZ 3.31Å; K586-K588 PolarHBondContact O-N 2.97Å
589	L	78.9	Confident	81.5	Confident	31 Å²	31	72.8 Å²	72.8	16%	0.162	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59.1	146.7	170.9	-78.5	158	0	0	0	110.4	E593 V594 L597 L663 Y664 P666	L589-E593 HydrophobicContact CD2-CB 4.5Å; L589-E593 WeakPolarHBondContact CD2-OE2 3.42Å; L589-V594 HydrophobicContact CB-CG2 3.53Å; L589-L597 HydrophobicContact CD1-CD1 4.37Å; L589-L663 WeakPolarHBondContact CD1-O 3.24Å; L589-Y664 PolarHBondContact N-O 3.08Å; L589-P666 HydrophobicContact CD1-CB 4.45Å; L589-P666 HydrophobicContact CD2-CB 4.42Å; L589-P666 HydrophobicContact CG-CB 4.1Å
590	S	83.8	Confident	81.5	Confident	58 Å²	58	75.5 Å²	75.5	41%	0.406	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-63.3	152.8	177.6	65.4	0	0	0	0	111.1	E592 E593 V594	S590-E592 VanDerWaalsContact C-N 3.25Å; S590-E592 PolarHBondContact O-N 3.26Å; S590-E593 PolarHBondContact N-OE2 3.13Å; S590-E593 PolarHBondContact O-N 3.29Å; S590-E593 WeakPolarHBondContact OG-CG 3.17Å; S590-E593 PolarHBondContact OG-OE2 3.36Å; S590-V594 WeakPolarHBondContact O-CG2 3.23Å; S590-V594 PolarHBondContact O-N 3.25Å; S590-V594 VanDerWaalsContact O-N 3.12Å
591	E	82.7	Confident	81.6	Confident	134 Å²	134	75.6 Å²	75.6	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-59.9	-37.1	-177.3	-60.9	-161.6	137.4	0	0	112.6	E593 V594 E595	E591-E593 PolarHBondContact O-N 3.47Å; E591-V594 PolarHBondContact O-N 3.33Å; E591-E595 WeakPolarHBondContact O-CB 3.26Å; E591-E595 PolarHBondContact O-N 3.39Å
592	E	85.1	Confident	81.9	Confident	140 Å²	140	77.6 Å²	77.6	65%	0.654	38%	0.377	S	S	*	.	H	α-helix	trans	-64.4	-39	178.7	-61.3	-173	179.1	0	0	112.8	S590 K596	S590-E592 VanDerWaalsContact C-N 3.25Å; S590-E592 PolarHBondContact O-N 3.26Å; E592-K596 WeakPolarHBondContact O-CG 3.17Å; E592-K596 PolarHBondContact O-N 2.86Å; E592-K596 VanDerWaalsContact O-N 3.11Å
593	E	83.7	Confident	82.1	Confident	90 Å²	90	84.2 Å²	84.2	42%	0.421	41%	0.408	S	S	.	.	H	α-helix	trans	-71.3	-40.1	178.1	-71.8	171.3	143	0	0	111.3	L589 S590 E591 E595 K596 L597	L589-E593 HydrophobicContact CD2-CB 4.5Å; L589-E593 WeakPolarHBondContact CD2-OE2 3.42Å; S590-E593 PolarHBondContact N-OE2 3.13Å; S590-E593 PolarHBondContact O-N 3.29Å; S590-E593 WeakPolarHBondContact OG-CG 3.17Å; S590-E593 PolarHBondContact OG-OE2 3.36Å; E591-E593 PolarHBondContact O-N 3.47Å; E593-E595 VanDerWaalsContact C-N 3.32Å; E593-E595 PolarHBondContact O-N 2.85Å; E593-K596 WeakPolarHBondContact O-CB 3.32Å; E593-K596 PolarHBondContact O-N 2.81Å; E593-L597 VanDerWaalsContact O-CG 3.3Å; E593-L597 WeakPolarHBondContact O-CG 3.25Å; E593-L597 PolarHBondContact O-N 3.49Å
594	V	84.9	Confident	82.6	Confident	0 Å²	0	90.8 Å²	90.8	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-68.2	-35.6	178.7	179.9	0	0	0	0	110.6	L589 S590 E591 L597 G598 K599 L663 Y664	L589-V594 HydrophobicContact CB-CG2 3.53Å; S590-V594 WeakPolarHBondContact O-CG2 3.23Å; S590-V594 PolarHBondContact O-N 3.25Å; S590-V594 VanDerWaalsContact O-N 3.12Å; E591-V594 PolarHBondContact O-N 3.33Å; V594-L597 CarbonylContact O-C 3.41Å; V594-L597 PolarHBondContact O-N 3.11Å; V594-G598 PolarHBondContact O-N 2.93Å; V594-K599 HydrophobicContact CG1-CB 4Å; V594-K599 HydrophobicContact CG1-CD 4.16Å; V594-K599 HydrophobicContact CG1-CG 4.14Å; V594-K599 PolarHBondContact O-N 2.84Å; V594-L663 HydrophobicContact CG1-CB 3.83Å; V594-L663 HydrophobicContact CG1-CD1 4.43Å; V594-Y664 HydrophobicContact CB-CD1 4.48Å; V594-Y664 HydrophobicContact CB-CE1 4.28Å; V594-Y664 HydrophobicContact CG1-CD1 4.41Å; V594-Y664 HydrophobicContact CG1-CD2 4.43Å; V594-Y664 HydrophobicContact CG1-CE1 4.29Å; V594-Y664 HydrophobicContact CG1-CE2 4.28Å; V594-Y664 HydrophobicContact CG1-CG 4.47Å; V594-Y664 HydrophobicContact CG2-CD1 3.69Å; V594-Y664 HydrophobicContact CG2-CE1 3.9Å; V594-Y664 HydrophobicContact CG2-CG 4.26Å
595	E	86.8	Confident	83.4	Confident	144 Å²	144	90.5 Å²	90.5	67%	0.673	43%	0.43	S	S	*	.	H	α-helix	trans	-63.3	-44.1	171.7	-168.5	169.8	-164.4	0	0	111.7	E591 E593 L597 G598	E591-E595 WeakPolarHBondContact O-CB 3.26Å; E591-E595 PolarHBondContact O-N 3.39Å; E593-E595 VanDerWaalsContact C-N 3.32Å; E593-E595 PolarHBondContact O-N 2.85Å; E595-L597 PolarHBondContact O-N 3.38Å; E595-G598 PolarHBondContact O-N 2.92Å
596	K	85.5	Confident	84.6	Confident	123 Å²	123	89.6 Å²	89.6	54%	0.535	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-31.1	172.6	-71.5	169	-171.6	165.7	0	112.9	K120 E592 E593 G598	K120-K596 WeakPolarHBondContact CE-O 3.41Å; E592-K596 WeakPolarHBondContact O-CG 3.17Å; E592-K596 PolarHBondContact O-N 2.86Å; E592-K596 VanDerWaalsContact O-N 3.11Å; E593-K596 WeakPolarHBondContact O-CB 3.32Å; E593-K596 PolarHBondContact O-N 2.81Å; K596-G598 VanDerWaalsContact C-N 3.27Å; K596-G598 PolarHBondContact O-N 3.42Å
597	L	84.1	Confident	85.8	Confident	14 Å²	14	86.1 Å²	86.1	7%	0.073	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.6	175.9	-66.9	173.5	0	0	0	113.9	R119 L123 L589 E593 V594 E595 L663	R119-L597 HydrophobicContact CG-CD2 4.28Å; L123-L597 HydrophobicContact CD1-CD2 4.02Å; L589-L597 HydrophobicContact CD1-CD1 4.37Å; E593-L597 VanDerWaalsContact O-CG 3.3Å; E593-L597 WeakPolarHBondContact O-CG 3.25Å; E593-L597 PolarHBondContact O-N 3.49Å; V594-L597 CarbonylContact O-C 3.41Å; V594-L597 PolarHBondContact O-N 3.11Å; E595-L597 PolarHBondContact O-N 3.38Å; L597-L663 HydrophobicContact CB-CD2 4.34Å
598	G	84.3	Confident	87	Confident	25 Å²	25	82.6 Å²	82.6	26%	0.258	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	37.8	173.5	0	0	0	0	0	114.7	V594 E595 K596 K600	V594-G598 PolarHBondContact O-N 2.93Å; E595-G598 PolarHBondContact O-N 2.92Å; K596-G598 VanDerWaalsContact C-N 3.27Å; K596-G598 PolarHBondContact O-N 3.42Å; G598-K600 PolarHBondContact O-N 3.08Å
599	K	88.1	Confident	87.8	Confident	80 Å²	80	79 Å²	79	35%	0.348	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-46.9	128.5	169.4	-167.8	176.3	169.6	178.8	0	110.7	V594 Y664	V594-K599 HydrophobicContact CG1-CB 4Å; V594-K599 HydrophobicContact CG1-CD 4.16Å; V594-K599 HydrophobicContact CG1-CG 4.14Å; V594-K599 PolarHBondContact O-N 2.84Å; K599-Y664 WeakPolarHBondContact CE-OH 3.43Å; K599-Y664 PolarHBondContact NZ-OH 2.85Å
600	K	89.9	Confident	88.5	Confident	56 Å²	56	78.1 Å²	78.1	24%	0.243	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-93.9	137.6	176.4	-70.2	-176.7	179.1	-172.7	0	109.8	H124 G598 E605 V656 F659 N660	H124-K600 PolarHBondContact NE2-NZ 3.04Å; G598-K600 PolarHBondContact O-N 3.08Å; K600-E605 HydrophobicContact CB-CG 4.07Å; K600-E605 HydrophobicContact CD-CG 4.31Å; K600-E605 WeakPolarHBondContact CD-OE1 3.33Å; K600-E605 HydrophobicContact CG-CG 4.5Å; K600-V656 HydrophobicContact CB-CG1 3.88Å; K600-V656 HydrophobicContact CB-CG2 4.47Å; K600-V656 WeakPolarHBondContact O-CG1 3.43Å; K600-F659 HydrophobicContact CD-CD1 3.91Å; K600-F659 HydrophobicContact CD-CE1 4.32Å; K600-F659 HydrophobicContact CG-CD1 4.04Å; K600-F659 HydrophobicContact CG-CE1 4.27Å; K600-N660 PolarHBondContact N-OD1 3.5Å; K600-N660 PolarHBondContact O-ND2 3.15Å; K600-N660 PolarHBondContact O-OD1 2.81Å
601	D	90.8	Very high	88.8	Confident	76 Å²	76	79.1 Å²	79.1	41%	0.406	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-90	135.9	176.2	-176	24.2	0	0	0	110.5	E603 K604 E605	D601-E603 PolarHBondContact O-N 3Å; D601-K604 HydrophobicContact CB-CB 4.14Å; D601-K604 HydrophobicContact CB-CD 3.93Å; D601-K604 HydrophobicContact CB-CG 4.09Å; D601-K604 WeakPolarHBondContact OD2-CE 3.49Å; D601-K604 WeakPolarHBondContact OD2-CG 3.39Å; D601-E605 WeakPolarHBondContact O-CG 3.1Å; D601-E605 PolarHBondContact O-N 3.21Å; D601-E605 VanDerWaalsContact O-N 3.15Å
602	R	90	Very high	89.3	Confident	132 Å²	132	75.9 Å²	75.9	50%	0.498	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-46.6	-173.2	-69.6	-178.2	-179.2	-179.5	-0.5	111.4	V606 V656 D657	R602-V606 VanDerWaalsContact O-CG2 3.26Å; R602-V606 WeakPolarHBondContact O-CG2 2.88Å; R602-V606 PolarHBondContact O-N 2.84Å; R602-V656 HydrophobicContact CG-CG1 4.1Å; R602-D657 IonicContact CZ-OD1 2.88Å; R602-D657 IonicContact CZ-OD2 2.83Å; R602-D657 VanDerWaalsContact NE-CG 3.34Å; R602-D657 IonicContact NE-OD1 2.72Å; R602-D657 PolarHBondContact NE-OD1 2.84Å; R602-D657 IonicContact NE-OD2 3.96Å; R602-D657 PolarHBondContact NE-OD2 2.81Å; R602-D657 IonicContact NH1-OD2 2.71Å; R602-D657 IonicContact NH2-OD1 4Å; R602-D657 PolarHBondContact NH2-OD1 3.46Å; R602-D657 IonicContact NH2-OD2 3.58Å; R602-D657 PolarHBondContact NH2-OD2 2.96Å
603	E	91.1	Very high	89.7	Confident	153 Å²	153	70.2 Å²	70.2	72%	0.715	35%	0.354	S	S	*	.	H	α-helix	trans	-74.5	-41.5	-174.4	-62.8	-168.6	159.8	0	0	111.5	D601 E605 V606 E607	D601-E603 PolarHBondContact O-N 3Å; E603-E605 VanDerWaalsContact C-N 3.33Å; E603-E605 PolarHBondContact O-N 3.31Å; E603-V606 PolarHBondContact O-N 3.44Å; E603-E607 WeakPolarHBondContact O-CG 3.4Å; E603-E607 PolarHBondContact O-N 3.35Å
604	K	92.1	Very high	90.1	Very high	146 Å²	146	66.9 Å²	66.9	64%	0.635	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-41.3	177.4	-67.1	179	-167.8	170.9	0	112.6	D601 E607 A608	D601-K604 HydrophobicContact CB-CB 4.14Å; D601-K604 HydrophobicContact CB-CD 3.93Å; D601-K604 HydrophobicContact CB-CG 4.09Å; D601-K604 WeakPolarHBondContact OD2-CE 3.49Å; D601-K604 WeakPolarHBondContact OD2-CG 3.39Å; K604-E607 PolarHBondContact O-N 2.84Å; K604-A608 WeakPolarHBondContact O-CB 3.36Å; K604-A608 PolarHBondContact O-N 3.36Å
605	E	91.6	Very high	90.3	Very high	64 Å²	64	71.3 Å²	71.3	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-71.5	-35.3	178.2	-71	-70.5	173.8	0	0	112.2	K600 D601 E603 E607 A608 F609 V652 V656	K600-E605 HydrophobicContact CB-CG 4.07Å; K600-E605 HydrophobicContact CD-CG 4.31Å; K600-E605 WeakPolarHBondContact CD-OE1 3.33Å; K600-E605 HydrophobicContact CG-CG 4.5Å; D601-E605 WeakPolarHBondContact O-CG 3.1Å; D601-E605 PolarHBondContact O-N 3.21Å; D601-E605 VanDerWaalsContact O-N 3.15Å; E603-E605 VanDerWaalsContact C-N 3.33Å; E603-E605 PolarHBondContact O-N 3.31Å; E605-E607 VanDerWaalsContact C-N 3.34Å; E605-A608 PolarHBondContact O-N 3.29Å; E605-F609 VanDerWaalsContact O-CB 3.32Å; E605-F609 WeakPolarHBondContact O-CB 3.41Å; E605-F609 PolarHBondContact O-N 3.24Å; E605-V652 HydrophobicContact CB-CG1 4.31Å; E605-V656 HydrophobicContact CB-CG2 3.59Å; E605-V656 HydrophobicContact CG-CG2 3.7Å
606	V	92.1	Very high	90.6	Very high	6 Å²	6	70 Å²	70	4%	0.036	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-41.2	170.9	168.5	0	0	0	0	110.9	R602 E603 F609 I610 F642 V649 V652 R653	R602-V606 VanDerWaalsContact O-CG2 3.26Å; R602-V606 WeakPolarHBondContact O-CG2 2.88Å; R602-V606 PolarHBondContact O-N 2.84Å; E603-V606 PolarHBondContact O-N 3.44Å; V606-F609 PolarHBondContact O-N 2.92Å; V606-I610 HydrophobicContact CG1-CD1 3.85Å; V606-I610 WeakPolarHBondContact O-CD1 3.12Å; V606-I610 VanDerWaalsContact O-CG1 3.23Å; V606-I610 WeakPolarHBondContact O-CG1 3.3Å; V606-I610 PolarHBondContact O-N 2.89Å; V606-F642 HydrophobicContact CG1-CE1 4.34Å; V606-F642 HydrophobicContact CG1-CZ 4.11Å; V606-V649 HydrophobicContact CG1-CG1 3.78Å; V606-V649 HydrophobicContact CG2-CG1 4.18Å; V606-V652 HydrophobicContact CG2-CG1 4.16Å; V606-R653 HydrophobicContact CG2-CG 3.7Å
607	E	92.9	Very high	90.9	Very high	96 Å²	96	68.9 Å²	68.9	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-67.1	-41.3	175.6	-70	-163.6	148.5	0	0	112.4	E603 K604 E605 F609 I610 S611 R638	E603-E607 WeakPolarHBondContact O-CG 3.4Å; E603-E607 PolarHBondContact O-N 3.35Å; K604-E607 PolarHBondContact O-N 2.84Å; E605-E607 VanDerWaalsContact C-N 3.34Å; E607-F609 VanDerWaalsContact C-N 3.33Å; E607-F609 PolarHBondContact O-N 3.28Å; E607-I610 PolarHBondContact O-N 2.64Å; E607-S611 WeakPolarHBondContact O-CB 3.44Å; E607-S611 PolarHBondContact O-N 3.23Å; E607-S611 PolarHBondContact O-OG 3.44Å; E607-R638 IonicContact OE1-CZ 3.3Å; E607-R638 IonicContact OE1-NH1 3.91Å; E607-R638 PolarHBondContact OE1-NH1 3.47Å; E607-R638 IonicContact OE1-NH2 2.66Å; E607-R638 PolarHBondContact OE1-NH2 3.46Å
608	A	93.1	Very high	91	Very high	44 Å²	44	70.3 Å²	70.3	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-44.8	172.4	0	0	0	0	0	110.9	K604 E605 I610 S611 A612	K604-A608 WeakPolarHBondContact O-CB 3.36Å; K604-A608 PolarHBondContact O-N 3.36Å; E605-A608 PolarHBondContact O-N 3.29Å; A608-I610 PolarHBondContact O-N 3.18Å; A608-S611 WeakPolarHBondContact CA-OG 3.39Å; A608-S611 PolarHBondContact O-N 3.31Å; A608-S611 PolarHBondContact O-OG 2.99Å; A608-A612 WeakPolarHBondContact O-CB 3.42Å; A608-A612 PolarHBondContact O-N 3.48Å
609	F	92.9	Very high	91.2	Very high	47 Å²	47	76.8 Å²	76.8	21%	0.206	39%	0.392	C	S	.	.	H	α-helix	trans	-61.1	-42.5	175	177.3	-99.5	0	0	0	112.7	E605 V606 E607 N613 L626 I641 K648 V652	E605-F609 VanDerWaalsContact O-CB 3.32Å; E605-F609 WeakPolarHBondContact O-CB 3.41Å; E605-F609 PolarHBondContact O-N 3.24Å; V606-F609 PolarHBondContact O-N 2.92Å; E607-F609 VanDerWaalsContact C-N 3.33Å; E607-F609 PolarHBondContact O-N 3.28Å; F609-N613 WeakPolarHBondContact CD2-ND2 3.47Å; F609-N613 WeakPolarHBondContact CE1-ND2 3.18Å; F609-N613 WeakPolarHBondContact CE2-ND2 3.4Å; F609-N613 WeakPolarHBondContact CZ-ND2 3.22Å; F609-N613 WeakPolarHBondContact O-CB 3.42Å; F609-N613 PolarHBondContact O-N 2.85Å; F609-N613 VanDerWaalsContact O-N 3.08Å; F609-N613 PolarHBondContact O-ND2 3.15Å; F609-L626 HydrophobicContact CE1-CD1 4.05Å; F609-L626 HydrophobicContact CZ-CD1 3.88Å; F609-L626 HydrophobicContact CZ-CD2 4.46Å; F609-I641 HydrophobicContact CE1-CG2 4.44Å; F609-K648 HydrophobicContact CE1-CB 4.2Å; F609-K648 HydrophobicContact CZ-CB 3.97Å; F609-V652 HydrophobicContact CB-CG1 4.37Å; F609-V652 HydrophobicContact CB-CG2 4.11Å; F609-V652 HydrophobicContact CD1-CG2 4.1Å; F609-V652 HydrophobicContact CD2-CG2 3.6Å; F609-V652 HydrophobicContact CE1-CG2 4.43Å; F609-V652 HydrophobicContact CE2-CG2 3.95Å; F609-V652 HydrophobicContact CG-CG2 3.67Å; F609-V652 HydrophobicContact CZ-CG2 4.35Å
610	I	92	Very high	91.1	Very high	12 Å²	12	78 Å²	78	6%	0.062	40%	0.402	C	S	.	.	H	α-helix	trans	-63.8	-44.2	176.1	-70.5	161.4	0	0	0	110.3	V606 E607 A608 N613 C614 R638 I641 F642	V606-I610 HydrophobicContact CG1-CD1 3.85Å; V606-I610 WeakPolarHBondContact O-CD1 3.12Å; V606-I610 VanDerWaalsContact O-CG1 3.23Å; V606-I610 WeakPolarHBondContact O-CG1 3.3Å; V606-I610 PolarHBondContact O-N 2.89Å; E607-I610 PolarHBondContact O-N 2.64Å; A608-I610 PolarHBondContact O-N 3.18Å; I610-N613 CarbonylContact O-C 3.51Å; I610-N613 PolarHBondContact O-N 2.9Å; I610-C614 VanDerWaalsContact O-CB 3.28Å; I610-C614 WeakPolarHBondContact O-CB 3.18Å; I610-C614 PolarHBondContact O-N 3.42Å; I610-R638 HydrophobicContact CD1-CG 4.46Å; I610-R638 HydrophobicContact CG2-CB 4.1Å; I610-R638 HydrophobicContact CG2-CG 4.1Å; I610-I641 HydrophobicContact CG1-CD1 4.49Å; I610-I641 HydrophobicContact CG1-CG2 4.3Å; I610-I641 HydrophobicContact CG2-CD1 4.29Å; I610-F642 HydrophobicContact CD1-CD2 4.26Å; I610-F642 HydrophobicContact CD1-CE1 4.5Å; I610-F642 HydrophobicContact CD1-CE2 3.36Å; I610-F642 HydrophobicContact CD1-CZ 3.51Å
611	S	91.7	Very high	91.1	Very high	79 Å²	79	81.4 Å²	81.4	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-42.5	179.5	75.1	0	0	0	0	112.1	E607 A608 N613 C614	E607-S611 WeakPolarHBondContact O-CB 3.44Å; E607-S611 PolarHBondContact O-N 3.23Å; E607-S611 PolarHBondContact O-OG 3.44Å; A608-S611 WeakPolarHBondContact CA-OG 3.39Å; A608-S611 PolarHBondContact O-N 3.31Å; A608-S611 PolarHBondContact O-OG 2.99Å; S611-N613 VanDerWaalsContact C-N 3.28Å; S611-N613 PolarHBondContact O-N 3.24Å; S611-C614 WeakPolarHBondContact O-CB 3.17Å; S611-C614 PolarHBondContact O-N 3.41Å
612	A	92.8	Very high	91.2	Very high	66 Å²	66	80 Å²	80	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-33.4	176.6	0	0	0	0	0	112.4	A608 C614	A608-A612 WeakPolarHBondContact O-CB 3.42Å; A608-A612 PolarHBondContact O-N 3.48Å; A612-C614 VanDerWaalsContact C-N 3.3Å
613	N	92.3	Very high	91.3	Very high	21 Å²	21	75.3 Å²	75.3	11%	0.112	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	8.2	174.5	-71.3	-63	0	0	0	113.7	F609 I610 S611 C624 P625 L626 I641	F609-N613 WeakPolarHBondContact CD2-ND2 3.47Å; F609-N613 WeakPolarHBondContact CE1-ND2 3.18Å; F609-N613 WeakPolarHBondContact CE2-ND2 3.4Å; F609-N613 WeakPolarHBondContact CZ-ND2 3.22Å; F609-N613 WeakPolarHBondContact O-CB 3.42Å; F609-N613 PolarHBondContact O-N 2.85Å; F609-N613 VanDerWaalsContact O-N 3.08Å; F609-N613 PolarHBondContact O-ND2 3.15Å; I610-N613 CarbonylContact O-C 3.51Å; I610-N613 PolarHBondContact O-N 2.9Å; S611-N613 VanDerWaalsContact C-N 3.28Å; S611-N613 PolarHBondContact O-N 3.24Å; N613-C624 WeakPolarHBondContact O-CA 3.49Å; N613-P625 WeakPolarHBondContact O-CD 3.36Å; N613-L626 HydrophobicContact CB-CD1 4.36Å; N613-L626 HydrophobicContact CB-CG 4.46Å; N613-I641 HydrophobicContact CB-CD1 3.88Å
614	C	92.1	Very high	91.4	Very high	21 Å²	21	68 Å²	68	14%	0.142	36%	0.357	C	S	.	.			trans	-112.1	86.5	176.3	-162.2	0	0	0	0	109.3	I610 S611 A612 W622 V637	I610-C614 VanDerWaalsContact O-CB 3.28Å; I610-C614 WeakPolarHBondContact O-CB 3.18Å; I610-C614 PolarHBondContact O-N 3.42Å; S611-C614 WeakPolarHBondContact O-CB 3.17Å; S611-C614 PolarHBondContact O-N 3.41Å; A612-C614 VanDerWaalsContact C-N 3.3Å; C614-W622 HydrophobicContact CB-CE3 4.46Å; C614-V637 HydrophobicContact CB-CG1 4.13Å
615	Q	91.1	Very high	91.4	Very high	93 Å²	93	63.9 Å²	63.9	44%	0.435	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.6	-176	-66.3	-178.8	-5.7	0	0	111.2	L617 W622 L623 P625	Q615-L617 PolarHBondContact O-N 3.48Å; Q615-W622 CarbonylContact O-C 3.59Å; Q615-W622 WeakPolarHBondContact O-CA 3.27Å; Q615-L623 PolarHBondContact N-O 3.43Å; Q615-L623 PolarHBondContact O-N 3.41Å; Q615-P625 VanDerWaalsContact CD-CG 3.48Å; Q615-P625 HydrophobicContact CG-CG 4Å
616	E	93	Very high	91.3	Very high	117 Å²	117	63.6 Å²	63.6	55%	0.547	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	114.8	172.8	-168.8	173.2	-169.7	0	0	109.8	W622	E616-W622 HydrophobicContact CB-CD2 4.25Å; E616-W622 HydrophobicContact CB-CE3 4Å; E616-W622 HydrophobicContact CB-CH2 3.88Å; E616-W622 HydrophobicContact CB-CZ2 4.09Å; E616-W622 HydrophobicContact CB-CZ3 3.83Å; E616-W622 HydrophobicContact CG-CD2 4.43Å; E616-W622 HydrophobicContact CG-CH2 4.31Å; E616-W622 HydrophobicContact CG-CZ2 4.02Å
617	L	90.1	Very high	91.2	Very high	98 Å²	98	65.1 Å²	65.1	51%	0.513	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-38.3	175	-69.7	174.9	0	0	0	111.7	Q615 K621 L623	Q615-L617 PolarHBondContact O-N 3.48Å; L617-K621 WeakPolarHBondContact CB-O 3.2Å; L617-K621 PolarHBondContact N-O 2.93Å; L617-L623 HydrophobicContact CD1-CB 3.67Å; L617-L623 HydrophobicContact CD1-CD2 4.09Å; L617-L623 HydrophobicContact CD1-CG 4.36Å; L617-L623 HydrophobicContact CD2-CD2 4.32Å; L617-L623 HydrophobicContact CG-CB 3.88Å; L617-L623 HydrophobicContact CG-CD2 4.46Å
618	A	86.8	Confident	91.1	Very high	45 Å²	45	63 Å²	63	37%	0.372	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	168.3	176.2	0	0	0	0	0	108.3	N620 K621	A618-N620 PolarHBondContact O-N 3.17Å; A618-K621 HydrophobicContact CB-CB 4.26Å; A618-K621 HydrophobicContact CB-CD 4.35Å; A618-K621 PolarHBondContact N-O 2.74Å; A618-K621 CarbonylContact O-C 3.55Å; A618-K621 WeakPolarHBondContact O-CA 3.4Å; A618-K621 PolarHBondContact O-N 3.33Å
619	E	87.9	Confident	91.1	Very high	161 Å²	161	66.1 Å²	66.1	75%	0.752	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	126.8	174.1	-163.2	-176	168.5	0	0	110.5	K621	E619-K621 PolarHBondContact O-N 2.73Å
620	N	86.1	Confident	91.1	Very high	105 Å²	105	71.3 Å²	71.3	56%	0.561	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	19.6	-174.1	-55.8	-61.1	0	0	0	116	A618 K632	A618-N620 PolarHBondContact O-N 3.17Å; N620-K632 WeakPolarHBondContact O-CA 3.23Å
621	K	91	Very high	91.2	Very high	128 Å²	128	72.8 Å²	72.8	56%	0.557	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	97.6	175.3	-66.5	-179.6	-174.2	167.7	0	110.7	L617 A618 E619 F631	L617-K621 WeakPolarHBondContact CB-O 3.2Å; L617-K621 PolarHBondContact N-O 2.93Å; A618-K621 HydrophobicContact CB-CB 4.26Å; A618-K621 HydrophobicContact CB-CD 4.35Å; A618-K621 PolarHBondContact N-O 2.74Å; A618-K621 CarbonylContact O-C 3.55Å; A618-K621 WeakPolarHBondContact O-CA 3.4Å; A618-K621 PolarHBondContact O-N 3.33Å; E619-K621 PolarHBondContact O-N 2.73Å; K621-F631 WeakPolarHBondContact CA-O 3.42Å
622	W	93.6	Very high	91.1	Very high	47 Å²	47	77 Å²	77	18%	0.178	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.7	177.6	-65.8	76.2	0	0	0	110.4	C614 Q615 E616 K630 F631 G633 P634 V637	C614-W622 HydrophobicContact CB-CE3 4.46Å; Q615-W622 CarbonylContact O-C 3.59Å; Q615-W622 WeakPolarHBondContact O-CA 3.27Å; E616-W622 HydrophobicContact CB-CD2 4.25Å; E616-W622 HydrophobicContact CB-CE3 4Å; E616-W622 HydrophobicContact CB-CH2 3.88Å; E616-W622 HydrophobicContact CB-CZ2 4.09Å; E616-W622 HydrophobicContact CB-CZ3 3.83Å; E616-W622 HydrophobicContact CG-CD2 4.43Å; E616-W622 HydrophobicContact CG-CH2 4.31Å; E616-W622 HydrophobicContact CG-CZ2 4.02Å; W622-K630 CarbonylContact O-C 3.43Å; W622-K630 WeakPolarHBondContact O-CA 3.39Å; W622-F631 HydrophobicContact CB-CB 4.37Å; W622-F631 PolarHBondContact N-O 2.9Å; W622-F631 PolarHBondContact O-N 2.99Å; W622-G633 VanDerWaalsContact CD1-CA 3.44Å; W622-P634 HydrophobicContact CD2-CB 4.29Å; W622-P634 HydrophobicContact CE3-CB 4.28Å; W622-P634 HydrophobicContact CH2-CB 4.31Å; W622-P634 HydrophobicContact CZ2-CB 4.34Å; W622-P634 HydrophobicContact CZ2-CG 4.21Å; W622-P634 HydrophobicContact CZ3-CB 4.27Å; W622-V637 HydrophobicContact CB-CG2 3.78Å
623	L	92	Very high	91	Very high	33 Å²	33	74.4 Å²	74.4	17%	0.173	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.8	178.4	178.4	68.6	0	0	0	109.5	Q615 L617 P625 G628 K630	Q615-L623 PolarHBondContact N-O 3.43Å; Q615-L623 PolarHBondContact O-N 3.41Å; L617-L623 HydrophobicContact CD1-CB 3.67Å; L617-L623 HydrophobicContact CD1-CD2 4.09Å; L617-L623 HydrophobicContact CD1-CG 4.36Å; L617-L623 HydrophobicContact CD2-CD2 4.32Å; L617-L623 HydrophobicContact CG-CB 3.88Å; L617-L623 HydrophobicContact CG-CD2 4.46Å; L623-P625 WeakPolarHBondContact O-CD 3.41Å; L623-G628 VanDerWaalsContact CD1-C 3.49Å; L623-G628 WeakPolarHBondContact CD1-O 3.19Å; L623-K630 HydrophobicContact CD1-CG 4.08Å
624	C	91.9	Very high	91	Very high	0 Å²	0	76 Å²	76	0%	0	39%	0.393	C	S	.	.			trans	-96.1	112.8	167.1	-179.3	0	0	0	0	109.7	N613 L626 S627 G628 K629 F631 V637	N613-C624 WeakPolarHBondContact O-CA 3.49Å; C624-L626 PolarHBondContact O-N 3.22Å; C624-S627 PolarHBondContact O-N 2.9Å; C624-G628 WeakPolarHBondContact O-CA 3.48Å; C624-G628 PolarHBondContact O-N 3.49Å; C624-K629 PolarHBondContact N-O 3.46Å; C624-K629 VanDerWaalsContact N-O 3.15Å; C624-F631 HydrophobicContact CB-CE2 4.14Å; C624-V637 HydrophobicContact CB-CG1 3.99Å
625	P	91.8	Very high	91	Very high	58 Å²	58	80.7 Å²	80.7	38%	0.377	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.6	179.5	-25.6	36.3	0	0	0	113.8	N613 Q615 L623 S627	N613-P625 WeakPolarHBondContact O-CD 3.36Å; Q615-P625 VanDerWaalsContact CD-CG 3.48Å; Q615-P625 HydrophobicContact CG-CG 4Å; L623-P625 WeakPolarHBondContact O-CD 3.41Å; P625-S627 VanDerWaalsContact C-N 3.31Å; P625-S627 PolarHBondContact O-N 2.97Å
626	L	90.4	Very high	91.1	Very high	59 Å²	59	82 Å²	82	31%	0.309	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.5	-179.9	-60	174.5	0	0	0	113.5	F609 N613 C624 H645	F609-L626 HydrophobicContact CE1-CD1 4.05Å; F609-L626 HydrophobicContact CZ-CD1 3.88Å; F609-L626 HydrophobicContact CZ-CD2 4.46Å; N613-L626 HydrophobicContact CB-CD1 4.36Å; N613-L626 HydrophobicContact CB-CG 4.46Å; C624-L626 PolarHBondContact O-N 3.22Å; L626-H645 HydrophobicContact CD1-CB 4.48Å
627	S	89	Confident	91.1	Very high	37 Å²	37	76.5 Å²	76.5	26%	0.259	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-15.3	-175.8	63.1	0	0	0	0	114.5	C624 P625 K629 H640 H645	C624-S627 PolarHBondContact O-N 2.9Å; P625-S627 VanDerWaalsContact C-N 3.31Å; P625-S627 PolarHBondContact O-N 2.97Å; S627-K629 PolarHBondContact O-N 2.91Å; S627-K629 PolarHBondContact OG-N 3.38Å; S627-H640 WeakPolarHBondContact CB-NE2 3.45Å; S627-H640 PolarHBondContact OG-NE2 2.9Å; S627-H645 WeakPolarHBondContact CB-NE2 3.41Å
628	G	91	Very high	91.2	Very high	51 Å²	51	76.2 Å²	76.2	53%	0.526	38%	0.383	S	S	.	.			trans	67.9	6.5	-169.6	0	0	0	0	0	114.8	L623 C624	L623-G628 VanDerWaalsContact CD1-C 3.49Å; L623-G628 WeakPolarHBondContact CD1-O 3.19Å; C624-G628 WeakPolarHBondContact O-CA 3.48Å; C624-G628 PolarHBondContact O-N 3.49Å
629	K	92.8	Very high	91.5	Very high	111 Å²	111	80.7 Å²	80.7	48%	0.483	39%	0.394	S	S	.	.			trans	-83.3	139.1	-177.2	-66.5	-177.8	-176.5	178.5	0	112	C624 S627 F631	C624-K629 PolarHBondContact N-O 3.46Å; C624-K629 VanDerWaalsContact N-O 3.15Å; S627-K629 PolarHBondContact O-N 2.91Å; S627-K629 PolarHBondContact OG-N 3.38Å; K629-F631 HydrophobicContact CB-CE2 3.62Å; K629-F631 HydrophobicContact CB-CZ 3.81Å; K629-F631 VanDerWaalsContact O-CD2 3.32Å; K629-F631 WeakPolarHBondContact O-CD2 3.31Å; K629-F631 VanDerWaalsContact O-CE2 3.31Å; K629-F631 WeakPolarHBondContact O-CE2 3.41Å
630	K	93.3	Very high	91.8	Very high	155 Å²	155	73.9 Å²	73.9	67%	0.674	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	140	177	-61.3	179.1	-175.6	178.3	0	110.9	W622 L623	W622-K630 CarbonylContact O-C 3.43Å; W622-K630 WeakPolarHBondContact O-CA 3.39Å; L623-K630 HydrophobicContact CD1-CG 4.08Å
631	F	93.7	Very high	92.1	Very high	43 Å²	43	68.9 Å²	68.9	19%	0.189	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.8	-176.2	-64.4	-84	0	0	0	111	K621 W622 C624 K629 F636 V637 H640	K621-F631 WeakPolarHBondContact CA-O 3.42Å; W622-F631 HydrophobicContact CB-CB 4.37Å; W622-F631 PolarHBondContact N-O 2.9Å; W622-F631 PolarHBondContact O-N 2.99Å; C624-F631 HydrophobicContact CB-CE2 4.14Å; K629-F631 HydrophobicContact CB-CE2 3.62Å; K629-F631 HydrophobicContact CB-CZ 3.81Å; K629-F631 VanDerWaalsContact O-CD2 3.32Å; K629-F631 WeakPolarHBondContact O-CD2 3.31Å; K629-F631 VanDerWaalsContact O-CE2 3.31Å; K629-F631 WeakPolarHBondContact O-CE2 3.41Å; F631-F636 HydrophobicContact CB-CB 4.06Å; F631-F636 HydrophobicContact CD1-CB 3.73Å; F631-F636 HydrophobicContact CG-CB 4.2Å; F631-V637 HydrophobicContact CB-CG2 3.77Å; F631-V637 HydrophobicContact CD2-CB 4.48Å; F631-V637 HydrophobicContact CD2-CG2 3.62Å; F631-V637 HydrophobicContact CE2-CG2 4.47Å; F631-V637 HydrophobicContact CG-CG2 3.86Å; F631-H640 HydrophobicContact CE1-CB 3.83Å; F631-H640 HydrophobicContact CE2-CB 4.19Å; F631-H640 AromaticContact CE2-CG 3.94Å; F631-H640 HydrophobicContact CZ-CB 3.48Å; F631-H640 VanDerWaalsContact CZ-CB 3.48Å; F631-H640 AromaticContact CZ-CD2 3.84Å; F631-H640 AromaticContact CZ-CG 3.29Å; F631-H640 AromaticContact CZ-ND1 3.58Å
632	K	91.5	Very high	92.3	Very high	169 Å²	169	66.3 Å²	66.3	74%	0.735	33%	0.325	S	S	*	.	S	Bend	trans	-82.5	-15.5	-179.6	-69.5	-176.2	177.7	-178.6	0	114.1	N620	N620-K632 WeakPolarHBondContact O-CA 3.23Å
633	G	90	Very high	92.3	Very high	11 Å²	11	70.1 Å²	70.1	11%	0.113	35%	0.348	C	S	.	.	S	Bend	trans	-165.3	164.4	-177.4	0	0	0	0	0	112.1	W622 E635 F636	W622-G633 VanDerWaalsContact CD1-CA 3.44Å; G633-E635 VanDerWaalsContact C-N 3.34Å; G633-E635 PolarHBondContact O-N 2.84Å; G633-F636 PolarHBondContact O-N 2.8Å
634	P	91.8	Very high	92.3	Very high	55 Å²	55	74.8 Å²	74.8	36%	0.357	37%	0.368	S	S	.	.	H	α-helix	trans	-66.6	-34.1	-174.7	26.6	-34	0	0	0	112.6	W622 F636 V637 R638	W622-P634 HydrophobicContact CD2-CB 4.29Å; W622-P634 HydrophobicContact CE3-CB 4.28Å; W622-P634 HydrophobicContact CH2-CB 4.31Å; W622-P634 HydrophobicContact CZ2-CB 4.34Å; W622-P634 HydrophobicContact CZ2-CG 4.21Å; W622-P634 HydrophobicContact CZ3-CB 4.27Å; P634-F636 PolarHBondContact O-N 2.96Å; P634-V637 WeakPolarHBondContact O-CA 3.46Å; P634-V637 WeakPolarHBondContact O-CB 3.38Å; P634-V637 PolarHBondContact O-N 3.23Å; P634-R638 PolarHBondContact O-N 3.39Å
635	E	92.2	Very high	92.4	Very high	118 Å²	118	76.2 Å²	76.2	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-58.5	-35.1	176.5	-64.1	-55.2	146.6	0	0	113.3	G633 K639	G633-E635 VanDerWaalsContact C-N 3.34Å; G633-E635 PolarHBondContact O-N 2.84Å; E635-K639 WeakPolarHBondContact O-CG 3.41Å; E635-K639 PolarHBondContact O-N 3Å
636	F	93	Very high	92.5	Very high	122 Å²	122	76.8 Å²	76.8	54%	0.535	38%	0.378	S	S	.	.	H	α-helix	trans	-72.3	-34.3	176.4	-64	-77.2	0	0	0	111.6	F631 G633 P634 H640	F631-F636 HydrophobicContact CB-CB 4.06Å; F631-F636 HydrophobicContact CD1-CB 3.73Å; F631-F636 HydrophobicContact CG-CB 4.2Å; G633-F636 PolarHBondContact O-N 2.8Å; P634-F636 PolarHBondContact O-N 2.96Å; F636-H640 WeakPolarHBondContact O-CB 3.4Å; F636-H640 PolarHBondContact O-N 2.98Å
637	V	92.6	Very high	92.7	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-66.5	-46.4	173.4	-178.3	0	0	0	0	110.1	C614 W622 C624 F631 P634 K639 H640 I641	C614-V637 HydrophobicContact CB-CG1 4.13Å; W622-V637 HydrophobicContact CB-CG2 3.78Å; C624-V637 HydrophobicContact CB-CG1 3.99Å; F631-V637 HydrophobicContact CB-CG2 3.77Å; F631-V637 HydrophobicContact CD2-CB 4.48Å; F631-V637 HydrophobicContact CD2-CG2 3.62Å; F631-V637 HydrophobicContact CE2-CG2 4.47Å; F631-V637 HydrophobicContact CG-CG2 3.86Å; P634-V637 WeakPolarHBondContact O-CA 3.46Å; P634-V637 WeakPolarHBondContact O-CB 3.38Å; P634-V637 PolarHBondContact O-N 3.23Å; V637-K639 PolarHBondContact O-N 3.25Å; V637-H640 WeakPolarHBondContact O-CB 3.39Å; V637-H640 PolarHBondContact O-N 3.47Å; V637-H640 VanDerWaalsContact O-N 3.14Å; V637-I641 HydrophobicContact CG1-CD1 3.88Å; V637-I641 HydrophobicContact CG1-CG1 4.36Å; V637-I641 WeakPolarHBondContact O-CG1 3.43Å; V637-I641 PolarHBondContact O-N 2.8Å
638	R	92.8	Very high	92.8	Very high	93 Å²	93	80.8 Å²	80.8	35%	0.351	39%	0.39	S	S	.	.	H	α-helix	trans	-54.7	-53.4	176.1	-177.9	172.9	-174	145.2	7.3	111.1	E607 I610 P634 H640 I641 F642	E607-R638 IonicContact OE1-CZ 3.3Å; E607-R638 IonicContact OE1-NH1 3.91Å; E607-R638 PolarHBondContact OE1-NH1 3.47Å; E607-R638 IonicContact OE1-NH2 2.66Å; E607-R638 PolarHBondContact OE1-NH2 3.46Å; I610-R638 HydrophobicContact CD1-CG 4.46Å; I610-R638 HydrophobicContact CG2-CB 4.1Å; I610-R638 HydrophobicContact CG2-CG 4.1Å; P634-R638 PolarHBondContact O-N 3.39Å; R638-H640 VanDerWaalsContact C-N 3.3Å; R638-H640 PolarHBondContact O-N 2.77Å; R638-I641 PolarHBondContact O-N 2.68Å; R638-F642 HydrophobicContact CG-CD2 4.08Å; R638-F642 HydrophobicContact CG-CE2 3.91Å; R638-F642 VanDerWaalsContact O-CD2 3.31Å; R638-F642 WeakPolarHBondContact O-CD2 3.23Å; R638-F642 PolarHBondContact O-N 3.48Å
639	K	93.3	Very high	92.9	Very high	138 Å²	138	78.6 Å²	78.6	60%	0.6	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-35.8	177.3	-72	179.7	-178.8	179.7	0	112.9	E635 V637 N643	E635-K639 WeakPolarHBondContact O-CG 3.41Å; E635-K639 PolarHBondContact O-N 3Å; V637-K639 PolarHBondContact O-N 3.25Å; K639-N643 WeakPolarHBondContact O-CB 3.26Å; K639-N643 PolarHBondContact O-N 2.82Å; K639-N643 VanDerWaalsContact O-N 3.16Å; K639-N643 PolarHBondContact O-ND2 3.12Å
640	H	93.8	Very high	92.9	Very high	18 Å²	18	77.6 Å²	77.6	8%	0.083	36%	0.363	C	S	.	.	H	α-helix	trans	-64.2	-45.6	175.5	168.3	79.2	0	0	0	111.5	S627 F631 F636 V637 R638 N643 K644 H645	S627-H640 WeakPolarHBondContact CB-NE2 3.45Å; S627-H640 PolarHBondContact OG-NE2 2.9Å; F631-H640 HydrophobicContact CE1-CB 3.83Å; F631-H640 HydrophobicContact CE2-CB 4.19Å; F631-H640 AromaticContact CE2-CG 3.94Å; F631-H640 HydrophobicContact CZ-CB 3.48Å; F631-H640 VanDerWaalsContact CZ-CB 3.48Å; F631-H640 AromaticContact CZ-CD2 3.84Å; F631-H640 AromaticContact CZ-CG 3.29Å; F631-H640 AromaticContact CZ-ND1 3.58Å; F636-H640 WeakPolarHBondContact O-CB 3.4Å; F636-H640 PolarHBondContact O-N 2.98Å; V637-H640 WeakPolarHBondContact O-CB 3.39Å; V637-H640 PolarHBondContact O-N 3.47Å; V637-H640 VanDerWaalsContact O-N 3.14Å; R638-H640 VanDerWaalsContact C-N 3.3Å; R638-H640 PolarHBondContact O-N 2.77Å; H640-N643 PolarHBondContact O-N 3.43Å; H640-K644 WeakPolarHBondContact ND1-CG 3.3Å; H640-K644 VanDerWaalsContact O-CB 3.26Å; H640-K644 WeakPolarHBondContact O-CB 3.43Å; H640-K644 PolarHBondContact O-N 2.85Å; H640-H645 AromaticContact NE2-CD2 3.54Å; H640-H645 AromaticContact NE2-NE2 3.38Å; H640-H645 PolarHBondContact NE2-NE2 3.3Å
641	I	93.6	Very high	92.9	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-49	179.4	-67.6	169.2	0	0	0	110.5	F609 I610 N613 V637 R638 N643 H645 V649	F609-I641 HydrophobicContact CE1-CG2 4.44Å; I610-I641 HydrophobicContact CG1-CD1 4.49Å; I610-I641 HydrophobicContact CG1-CG2 4.3Å; I610-I641 HydrophobicContact CG2-CD1 4.29Å; N613-I641 HydrophobicContact CB-CD1 3.88Å; V637-I641 HydrophobicContact CG1-CD1 3.88Å; V637-I641 HydrophobicContact CG1-CG1 4.36Å; V637-I641 WeakPolarHBondContact O-CG1 3.43Å; V637-I641 PolarHBondContact O-N 2.8Å; R638-I641 PolarHBondContact O-N 2.68Å; I641-N643 VanDerWaalsContact C-N 3.34Å; I641-N643 PolarHBondContact O-N 3.42Å; I641-H645 CarbonylContact O-C 3.51Å; I641-H645 VanDerWaalsContact O-C 3.22Å; I641-H645 VanDerWaalsContact O-CA 3.28Å; I641-H645 WeakPolarHBondContact O-CA 3.49Å; I641-H645 WeakPolarHBondContact O-CB 3.32Å; I641-H645 PolarHBondContact O-N 2.94Å; I641-V649 HydrophobicContact CG2-CG2 3.79Å
642	F	93.7	Very high	92.8	Very high	75 Å²	75	73.5 Å²	73.5	33%	0.329	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-36.9	179	-80.4	-70.1	0	0	0	113.9	V606 I610 R638 V649	V606-F642 HydrophobicContact CG1-CE1 4.34Å; V606-F642 HydrophobicContact CG1-CZ 4.11Å; I610-F642 HydrophobicContact CD1-CD2 4.26Å; I610-F642 HydrophobicContact CD1-CE1 4.5Å; I610-F642 HydrophobicContact CD1-CE2 3.36Å; I610-F642 HydrophobicContact CD1-CZ 3.51Å; R638-F642 HydrophobicContact CG-CD2 4.08Å; R638-F642 HydrophobicContact CG-CE2 3.91Å; R638-F642 VanDerWaalsContact O-CD2 3.31Å; R638-F642 WeakPolarHBondContact O-CD2 3.23Å; R638-F642 PolarHBondContact O-N 3.48Å; F642-V649 HydrophobicContact CD1-CG1 4.34Å; F642-V649 HydrophobicContact CD1-CG2 4.34Å; F642-V649 HydrophobicContact CE1-CG1 3.94Å; F642-V649 HydrophobicContact CE1-CG2 4.48Å
643	N	94	Very high	92.9	Very high	126 Å²	126	69.9 Å²	69.9	67%	0.674	33%	0.33	S	S	*	.	H	α-helix	trans	-90	-28.9	-174.9	-70.3	-21	0	0	0	114	K639 H640 I641	K639-N643 WeakPolarHBondContact O-CB 3.26Å; K639-N643 PolarHBondContact O-N 2.82Å; K639-N643 VanDerWaalsContact O-N 3.16Å; K639-N643 PolarHBondContact O-ND2 3.12Å; H640-N643 PolarHBondContact O-N 3.43Å; I641-N643 VanDerWaalsContact C-N 3.34Å; I641-N643 PolarHBondContact O-N 3.42Å
644	K	93.2	Very high	93.1	Very high	132 Å²	132	70.4 Å²	70.4	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-108	-21.6	-175.4	-64.5	-58.5	-173.6	-173.7	0	113.9	H640	H640-K644 WeakPolarHBondContact ND1-CG 3.3Å; H640-K644 VanDerWaalsContact O-CB 3.26Å; H640-K644 WeakPolarHBondContact O-CB 3.43Å; H640-K644 PolarHBondContact O-N 2.85Å
645	H	93	Very high	93.1	Very high	29 Å²	29	71.6 Å²	71.6	13%	0.134	33%	0.332	C	S	.	.			trans	-127.7	47	177.3	-58.5	-68	0	0	0	112.5	L626 S627 H640 I641 E647 K648 V649	L626-H645 HydrophobicContact CD1-CB 4.48Å; S627-H645 WeakPolarHBondContact CB-NE2 3.41Å; H640-H645 AromaticContact NE2-CD2 3.54Å; H640-H645 AromaticContact NE2-NE2 3.38Å; H640-H645 PolarHBondContact NE2-NE2 3.3Å; I641-H645 CarbonylContact O-C 3.51Å; I641-H645 VanDerWaalsContact O-C 3.22Å; I641-H645 VanDerWaalsContact O-CA 3.28Å; I641-H645 WeakPolarHBondContact O-CA 3.49Å; I641-H645 WeakPolarHBondContact O-CB 3.32Å; I641-H645 PolarHBondContact O-N 2.94Å; H645-E647 VanDerWaalsContact C-OE2 3.3Å; H645-E647 WeakPolarHBondContact CA-OE1 3.18Å; H645-E647 WeakPolarHBondContact CA-OE2 3.16Å; H645-E647 IonicContact CG-OE1 2.68Å; H645-E647 IonicContact ND1-OE1 3.58Å; H645-E647 PolarHBondContact ND1-OE1 3.39Å; H645-E647 PolarHBondContact O-N 3.19Å; H645-K648 HydrophobicContact CB-CB 4.23Å; H645-K648 HydrophobicContact CB-CG 4.4Å; H645-K648 PolarHBondContact O-N 3.28Å; H645-K648 VanDerWaalsContact O-N 3.15Å; H645-V649 PolarHBondContact O-N 3.15Å
646	P	93.5	Very high	93.1	Very high	70 Å²	70	66.3 Å²	66.3	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-58.7	-32.3	176.7	27.6	-35.9	0	0	0	111.9	K648 V649 E650	P646-K648 VanDerWaalsContact C-N 3.3Å; P646-K648 PolarHBondContact O-N 3.43Å; P646-V649 PolarHBondContact O-N 2.8Å; P646-E650 PolarHBondContact O-N 3.24Å
647	E	94	Very high	93.1	Very high	104 Å²	104	61.7 Å²	61.7	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-38.3	177.3	70.5	-69.8	165.9	0	0	112.5	H645 E651	H645-E647 VanDerWaalsContact C-OE2 3.3Å; H645-E647 WeakPolarHBondContact CA-OE1 3.18Å; H645-E647 WeakPolarHBondContact CA-OE2 3.16Å; H645-E647 IonicContact CG-OE1 2.68Å; H645-E647 IonicContact ND1-OE1 3.58Å; H645-E647 PolarHBondContact ND1-OE1 3.39Å; H645-E647 PolarHBondContact O-N 3.19Å; E647-E651 WeakPolarHBondContact O-CB 3.41Å; E647-E651 PolarHBondContact O-N 3.08Å
648	K	92.9	Very high	93.1	Very high	77 Å²	77	62 Å²	62	34%	0.335	29%	0.289	S	S	.	.	H	α-helix	trans	-75.7	-34.3	178.7	-69.6	-58.3	-176.3	-176.7	0	112.7	F609 H645 P646 E650 E651 V652	F609-K648 HydrophobicContact CE1-CB 4.2Å; F609-K648 HydrophobicContact CZ-CB 3.97Å; H645-K648 HydrophobicContact CB-CB 4.23Å; H645-K648 HydrophobicContact CB-CG 4.4Å; H645-K648 PolarHBondContact O-N 3.28Å; H645-K648 VanDerWaalsContact O-N 3.15Å; P646-K648 VanDerWaalsContact C-N 3.3Å; P646-K648 PolarHBondContact O-N 3.43Å; K648-E650 VanDerWaalsContact C-N 3.33Å; K648-E651 WeakPolarHBondContact CD-OE2 3.37Å; K648-E651 IonicContact NZ-OE1 3.6Å; K648-E651 IonicContact NZ-OE2 3.47Å; K648-E651 PolarHBondContact NZ-OE2 3.33Å; K648-V652 WeakPolarHBondContact O-CG2 3.46Å; K648-V652 PolarHBondContact O-N 3.4Å
649	V	93	Very high	93.1	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-40.9	174.2	176.7	0	0	0	0	110.4	V606 I641 F642 H645 P646 V652 R653	V606-V649 HydrophobicContact CG1-CG1 3.78Å; V606-V649 HydrophobicContact CG2-CG1 4.18Å; I641-V649 HydrophobicContact CG2-CG2 3.79Å; F642-V649 HydrophobicContact CD1-CG1 4.34Å; F642-V649 HydrophobicContact CD1-CG2 4.34Å; F642-V649 HydrophobicContact CE1-CG1 3.94Å; F642-V649 HydrophobicContact CE1-CG2 4.48Å; H645-V649 PolarHBondContact O-N 3.15Å; P646-V649 PolarHBondContact O-N 2.8Å; V649-V652 PolarHBondContact O-N 3.25Å; V649-R653 PolarHBondContact O-N 3.25Å
650	E	92.7	Very high	93.1	Very high	90 Å²	90	51.8 Å²	51.8	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-70.2	-38.4	178.1	-162.6	57.8	-149.3	0	0	112.2	P646 K648 V652 R653 V654	P646-E650 PolarHBondContact O-N 3.24Å; K648-E650 VanDerWaalsContact C-N 3.33Å; E650-V652 VanDerWaalsContact C-N 3.28Å; E650-V652 PolarHBondContact O-N 2.89Å; E650-R653 WeakPolarHBondContact O-CB 3.21Å; E650-R653 PolarHBondContact O-N 3.32Å; E650-R653 VanDerWaalsContact O-N 3.08Å; E650-R653 VanDerWaalsContact OE2-CD 3.3Å; E650-R653 WeakPolarHBondContact OE2-CD 3.49Å; E650-R653 IonicContact OE2-CZ 3.5Å; E650-R653 IonicContact OE2-NE 3.18Å; E650-R653 IonicContact OE2-NH1 2.91Å; E650-R653 PolarHBondContact OE2-NH1 3.34Å; E650-V654 WeakPolarHBondContact O-CG2 3.28Å; E650-V654 PolarHBondContact O-N 2.88Å
651	E	92.5	Very high	93	Very high	94 Å²	94	53.8 Å²	53.8	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-55.4	-42.6	173.1	-171.6	175.7	-172.6	0	0	111.8	E647 K648 V654 E655	E647-E651 WeakPolarHBondContact O-CB 3.41Å; E647-E651 PolarHBondContact O-N 3.08Å; K648-E651 WeakPolarHBondContact CD-OE2 3.37Å; K648-E651 IonicContact NZ-OE1 3.6Å; K648-E651 IonicContact NZ-OE2 3.47Å; K648-E651 PolarHBondContact NZ-OE2 3.33Å; E651-V654 PolarHBondContact O-N 3.39Å; E651-E655 WeakPolarHBondContact O-CG 3.46Å; E651-E655 PolarHBondContact O-N 2.85Å
652	V	92.8	Very high	92.8	Very high	19 Å²	19	53.8 Å²	53.8	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-42.7	175.6	173.6	0	0	0	0	111.6	E605 V606 F609 K648 V649 E650 E655 V656	E605-V652 HydrophobicContact CB-CG1 4.31Å; V606-V652 HydrophobicContact CG2-CG1 4.16Å; F609-V652 HydrophobicContact CB-CG1 4.37Å; F609-V652 HydrophobicContact CB-CG2 4.11Å; F609-V652 HydrophobicContact CD1-CG2 4.1Å; F609-V652 HydrophobicContact CD2-CG2 3.6Å; F609-V652 HydrophobicContact CE1-CG2 4.43Å; F609-V652 HydrophobicContact CE2-CG2 3.95Å; F609-V652 HydrophobicContact CG-CG2 3.67Å; F609-V652 HydrophobicContact CZ-CG2 4.35Å; K648-V652 WeakPolarHBondContact O-CG2 3.46Å; K648-V652 PolarHBondContact O-N 3.4Å; V649-V652 PolarHBondContact O-N 3.25Å; E650-V652 VanDerWaalsContact C-N 3.28Å; E650-V652 PolarHBondContact O-N 2.89Å; V652-E655 PolarHBondContact O-N 3.5Å; V652-V656 VanDerWaalsContact O-CG2 3.31Å; V652-V656 WeakPolarHBondContact O-CG2 3.09Å; V652-V656 PolarHBondContact O-N 2.89Å
653	R	92.9	Very high	92.7	Very high	93 Å²	93	50.2 Å²	50.2	35%	0.351	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-44.2	177.6	-69.7	169.5	175.1	170.2	-4.6	111.7	V606 V649 E650 E655 V656 D657	V606-R653 HydrophobicContact CG2-CG 3.7Å; V649-R653 PolarHBondContact O-N 3.25Å; E650-R653 WeakPolarHBondContact O-CB 3.21Å; E650-R653 PolarHBondContact O-N 3.32Å; E650-R653 VanDerWaalsContact O-N 3.08Å; E650-R653 VanDerWaalsContact OE2-CD 3.3Å; E650-R653 WeakPolarHBondContact OE2-CD 3.49Å; E650-R653 IonicContact OE2-CZ 3.5Å; E650-R653 IonicContact OE2-NE 3.18Å; E650-R653 IonicContact OE2-NH1 2.91Å; E650-R653 PolarHBondContact OE2-NH1 3.34Å; R653-E655 VanDerWaalsContact C-N 3.34Å; R653-E655 PolarHBondContact O-N 2.92Å; R653-V656 PolarHBondContact O-N 2.73Å; R653-D657 PolarHBondContact O-N 3.47Å
654	V	93.1	Very high	92.4	Very high	21 Å²	21	46.4 Å²	46.4	13%	0.127	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-41.5	176.6	169.1	0	0	0	0	111	H141 P142 E650 E651 D657 Y658	H141-V654 WeakPolarHBondContact NE2-CG1 3.45Å; P142-V654 HydrophobicContact CG-CB 4.43Å; P142-V654 HydrophobicContact CG-CG1 3.79Å; E650-V654 WeakPolarHBondContact O-CG2 3.28Å; E650-V654 PolarHBondContact O-N 2.88Å; E651-V654 PolarHBondContact O-N 3.39Å; V654-D657 PolarHBondContact O-N 3.38Å; V654-Y658 WeakPolarHBondContact O-CB 3.41Å; V654-Y658 PolarHBondContact O-N 3.4Å
655	E	92.3	Very high	92	Very high	81 Å²	81	41.6 Å²	41.6	38%	0.379	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-38.7	175.1	-77.1	-157.7	140.9	0	0	112.6	K131 E651 V652 R653 Y658 F659	K131-E655 IonicContact NZ-OE1 2.81Å; K131-E655 PolarHBondContact NZ-OE1 3.21Å; E651-E655 WeakPolarHBondContact O-CG 3.46Å; E651-E655 PolarHBondContact O-N 2.85Å; V652-E655 PolarHBondContact O-N 3.5Å; R653-E655 VanDerWaalsContact C-N 3.34Å; R653-E655 PolarHBondContact O-N 2.92Å; E655-Y658 PolarHBondContact O-N 3.23Å; E655-F659 PolarHBondContact O-N 2.88Å
656	V	93.1	Very high	91.5	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-47	175.4	170.4	0	0	0	0	110.9	K600 R602 E605 V652 R653 Y658 F659 N660	K600-V656 HydrophobicContact CB-CG1 3.88Å; K600-V656 HydrophobicContact CB-CG2 4.47Å; K600-V656 WeakPolarHBondContact O-CG1 3.43Å; R602-V656 HydrophobicContact CG-CG1 4.1Å; E605-V656 HydrophobicContact CB-CG2 3.59Å; E605-V656 HydrophobicContact CG-CG2 3.7Å; V652-V656 VanDerWaalsContact O-CG2 3.31Å; V652-V656 WeakPolarHBondContact O-CG2 3.09Å; V652-V656 PolarHBondContact O-N 2.89Å; R653-V656 PolarHBondContact O-N 2.73Å; V656-Y658 VanDerWaalsContact C-N 3.32Å; V656-Y658 PolarHBondContact O-N 3.25Å; V656-F659 PolarHBondContact O-N 3.44Å; V656-N660 WeakPolarHBondContact O-CB 3.31Å; V656-N660 PolarHBondContact O-N 2.99Å; V656-N660 PolarHBondContact O-ND2 2.72Å
657	D	92.5	Very high	90.9	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.134	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-40.1	176.3	-76.2	-24.8	0	0	0	112.4	P142 R602 R653 V654 F659 N660 N661	P142-D657 HydrophobicContact CB-CB 4.43Å; P142-D657 HydrophobicContact CG-CB 4.12Å; R602-D657 IonicContact CZ-OD1 2.88Å; R602-D657 IonicContact CZ-OD2 2.83Å; R602-D657 VanDerWaalsContact NE-CG 3.34Å; R602-D657 IonicContact NE-OD1 2.72Å; R602-D657 PolarHBondContact NE-OD1 2.84Å; R602-D657 IonicContact NE-OD2 3.96Å; R602-D657 PolarHBondContact NE-OD2 2.81Å; R602-D657 IonicContact NH1-OD2 2.71Å; R602-D657 IonicContact NH2-OD1 4Å; R602-D657 PolarHBondContact NH2-OD1 3.46Å; R602-D657 IonicContact NH2-OD2 3.58Å; R602-D657 PolarHBondContact NH2-OD2 2.96Å; R653-D657 PolarHBondContact O-N 3.47Å; V654-D657 PolarHBondContact O-N 3.38Å; D657-F659 VanDerWaalsContact C-N 3.34Å; D657-F659 PolarHBondContact O-N 3.27Å; D657-N660 PolarHBondContact O-N 2.97Å; D657-N661 VanDerWaalsContact O-CB 3.3Å; D657-N661 WeakPolarHBondContact O-CB 3.38Å; D657-N661 PolarHBondContact O-N 3.47Å; D657-N661 PolarHBondContact O-ND2 3.03Å
658	Y	93.3	Very high	90.4	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-45.2	176.6	-177.1	-163.4	0	0	0	111.5	F127 K131 F136 R137 H141 V654 E655 V656 Y662	F127-Y658 AromaticContact CE2-CD1 3.72Å; F127-Y658 HydrophobicContact CE2-CD1 3.72Å; F127-Y658 AromaticContact CE2-CD2 3.88Å; F127-Y658 HydrophobicContact CE2-CD2 3.88Å; F127-Y658 HydrophobicContact CE2-CE1 4.02Å; F127-Y658 HydrophobicContact CE2-CE2 4.17Å; F127-Y658 AromaticContact CE2-CG 3.68Å; F127-Y658 HydrophobicContact CE2-CG 3.68Å; F127-Y658 AromaticContact CZ-CD1 3.52Å; F127-Y658 HydrophobicContact CZ-CD1 3.52Å; F127-Y658 HydrophobicContact CZ-CD2 4.45Å; F127-Y658 HydrophobicContact CZ-CE1 4.02Å; F127-Y658 AromaticContact CZ-CG 3.79Å; F127-Y658 HydrophobicContact CZ-CG 3.79Å; K131-Y658 HydrophobicContact CB-CE1 3.77Å; K131-Y658 WeakPolarHBondContact O-CE1 3.48Å; K131-Y658 PolarHBondContact O-OH 2.91Å; F136-Y658 AromaticContact CD1-CE2 3.81Å; F136-Y658 HydrophobicContact CD1-CE2 3.81Å; F136-Y658 AromaticContact CD1-CZ 3.64Å; F136-Y658 WeakPolarHBondContact CD1-OH 3.5Å; F136-Y658 AromaticContact CE1-CE2 3.79Å; F136-Y658 HydrophobicContact CE1-CE2 3.79Å; F136-Y658 AromaticContact CE1-CZ 3.87Å; R137-Y658 VanDerWaalsContact CA-OH 3.22Å; R137-Y658 WeakPolarHBondContact CA-OH 3.35Å; R137-Y658 WeakPolarHBondContact CG-OH 3.36Å; R137-Y658 PolarHBondContact N-OH 2.89Å; R137-Y658 VanDerWaalsContact N-OH 3.14Å; H141-Y658 VanDerWaalsContact CA-CD2 3.5Å; H141-Y658 HydrophobicContact CB-CD2 4.03Å; H141-Y658 HydrophobicContact CB-CE2 3.96Å; H141-Y658 HydrophobicContact CB-CG 4.35Å; H141-Y658 VanDerWaalsContact N-CD2 3.31Å; V654-Y658 WeakPolarHBondContact O-CB 3.41Å; V654-Y658 PolarHBondContact O-N 3.4Å; E655-Y658 PolarHBondContact O-N 3.23Å; V656-Y658 VanDerWaalsContact C-N 3.32Å; V656-Y658 PolarHBondContact O-N 3.25Å; Y658-Y662 PolarHBondContact O-N 3.37Å
659	F	92.4	Very high	89.8	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-44.3	176.3	-176.4	-114	0	0	0	112	H124 F127 K600 E655 V656 D657 N661 Y662 L663	H124-F659 HydrophobicContact CB-CE2 4.49Å; H124-F659 HydrophobicContact CB-CZ 4.48Å; F127-F659 HydrophobicContact CB-CD2 3.94Å; F127-F659 HydrophobicContact CB-CE2 4.03Å; F127-F659 AromaticContact CD1-CD2 3.8Å; F127-F659 HydrophobicContact CD1-CD2 3.8Å; F127-F659 HydrophobicContact CD2-CB 4.5Å; F127-F659 AromaticContact CD2-CD2 3.79Å; F127-F659 HydrophobicContact CD2-CD2 3.79Å; F127-F659 HydrophobicContact CE1-CB 4.24Å; F127-F659 HydrophobicContact CE1-CD2 4.22Å; F127-F659 HydrophobicContact CE2-CB 4.09Å; F127-F659 HydrophobicContact CE2-CD2 4.23Å; F127-F659 AromaticContact CG-CD2 3.57Å; F127-F659 HydrophobicContact CG-CD2 3.57Å; F127-F659 HydrophobicContact CG-CE2 4.18Å; F127-F659 HydrophobicContact CZ-CB 3.95Å; F127-F659 HydrophobicContact CZ-CD2 4.42Å; K600-F659 HydrophobicContact CD-CD1 3.91Å; K600-F659 HydrophobicContact CD-CE1 4.32Å; K600-F659 HydrophobicContact CG-CD1 4.04Å; K600-F659 HydrophobicContact CG-CE1 4.27Å; E655-F659 PolarHBondContact O-N 2.88Å; V656-F659 PolarHBondContact O-N 3.44Å; D657-F659 VanDerWaalsContact C-N 3.34Å; D657-F659 PolarHBondContact O-N 3.27Å; F659-N661 PolarHBondContact O-N 3.47Å; F659-Y662 HydrophobicContact CD2-CD1 4.44Å; F659-Y662 HydrophobicContact CE2-CD1 4.38Å; F659-Y662 WeakPolarHBondContact O-CB 3.47Å; F659-Y662 PolarHBondContact O-N 3.3Å; F659-L663 HydrophobicContact CD1-CD1 4.02Å; F659-L663 HydrophobicContact CD1-CG 4.44Å; F659-L663 HydrophobicContact CE1-CD1 3.53Å; F659-L663 HydrophobicContact CE1-CG 4.1Å; F659-L663 HydrophobicContact CE2-CD2 4.42Å; F659-L663 HydrophobicContact CE2-CG 4.49Å; F659-L663 HydrophobicContact CZ-CD1 3.93Å; F659-L663 HydrophobicContact CZ-CD2 4.07Å; F659-L663 HydrophobicContact CZ-CG 4.12Å; F659-L663 PolarHBondContact O-N 2.86Å
660	N	92.6	Very high	88.9	Confident	9 Å²	9	45 Å²	45	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-43.7	178.7	-71.3	-19.2	0	0	0	111.6	K600 V656 D657 Y662 L663 Y664	K600-N660 PolarHBondContact N-OD1 3.5Å; K600-N660 PolarHBondContact O-ND2 3.15Å; K600-N660 PolarHBondContact O-OD1 2.81Å; V656-N660 WeakPolarHBondContact O-CB 3.31Å; V656-N660 PolarHBondContact O-N 2.99Å; V656-N660 PolarHBondContact O-ND2 2.72Å; D657-N660 PolarHBondContact O-N 2.97Å; N660-Y662 PolarHBondContact O-N 3.38Å; N660-L663 WeakPolarHBondContact O-CA 3.26Å; N660-L663 WeakPolarHBondContact O-CB 3.33Å; N660-L663 PolarHBondContact O-N 3.06Å; N660-Y664 HydrophobicContact CB-CD2 4.48Å; N660-Y664 HydrophobicContact CB-CE2 4.35Å; N660-Y664 WeakPolarHBondContact O-CD2 3.36Å; N660-Y664 PolarHBondContact O-N 3.24Å
661	N	91.2	Very high	87.8	Confident	61 Å²	61	41.6 Å²	41.6	33%	0.326	20%	0.198	S	C	.	.	H	α-helix	trans	-58.6	-35.9	175.4	-72.6	-19.3	0	0	0	112.4	Y140 D657 F659	Y140-N661 WeakPolarHBondContact CD1-O 3.44Å; Y140-N661 WeakPolarHBondContact O-CB 3.36Å; Y140-N661 PolarHBondContact O-ND2 2.91Å; D657-N661 VanDerWaalsContact O-CB 3.3Å; D657-N661 WeakPolarHBondContact O-CB 3.38Å; D657-N661 PolarHBondContact O-N 3.47Å; D657-N661 PolarHBondContact O-ND2 3.03Å; F659-N661 PolarHBondContact O-N 3.47Å
662	Y	90.5	Very high	86.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-39.1	172.7	167.2	-112.4	0	0	0	112.3	L123 F126 F127 F136 Y140 Y658 F659 N660 R668 P669	L123-Y662 HydrophobicContact CB-CE1 4.17Å; L123-Y662 HydrophobicContact CD2-CE1 4.08Å; L123-Y662 WeakPolarHBondContact CD2-OH 3.44Å; F126-Y662 HydrophobicContact CD1-CE2 4.12Å; F126-Y662 AromaticContact CD1-CZ 3.78Å; F126-Y662 VanDerWaalsContact CD1-OH 3.27Å; F126-Y662 WeakPolarHBondContact CD1-OH 3.28Å; F126-Y662 HydrophobicContact CE1-CE2 4.31Å; F127-Y662 HydrophobicContact CB-CD1 4.34Å; F127-Y662 HydrophobicContact CB-CE1 4.4Å; F127-Y662 HydrophobicContact CD2-CD1 4.33Å; F136-Y662 AromaticContact CE2-CD2 3.59Å; F136-Y662 HydrophobicContact CE2-CD2 3.59Å; F136-Y662 AromaticContact CE2-CE2 3.79Å; F136-Y662 HydrophobicContact CE2-CE2 3.79Å; F136-Y662 HydrophobicContact CE2-CG 4.32Å; F136-Y662 HydrophobicContact CZ-CD1 4.41Å; F136-Y662 AromaticContact CZ-CD2 3.47Å; F136-Y662 HydrophobicContact CZ-CD2 3.47Å; F136-Y662 VanDerWaalsContact CZ-CD2 3.47Å; F136-Y662 AromaticContact CZ-CE2 3.94Å; F136-Y662 HydrophobicContact CZ-CE2 3.94Å; F136-Y662 AromaticContact CZ-CG 3.73Å; F136-Y662 HydrophobicContact CZ-CG 3.73Å; Y140-Y662 HydrophobicContact CD2-CD2 4.25Å; Y140-Y662 HydrophobicContact CE1-CD2 4.41Å; Y140-Y662 AromaticContact CE2-CD2 3.88Å; Y140-Y662 HydrophobicContact CE2-CD2 3.88Å; Y140-Y662 AromaticContact CZ-CD2 3.95Å; Y658-Y662 PolarHBondContact O-N 3.37Å; F659-Y662 HydrophobicContact CD2-CD1 4.44Å; F659-Y662 HydrophobicContact CE2-CD1 4.38Å; F659-Y662 WeakPolarHBondContact O-CB 3.47Å; F659-Y662 PolarHBondContact O-N 3.3Å; N660-Y662 PolarHBondContact O-N 3.38Å; Y662-R668 HydrophobicContact CD2-CB 4.18Å; Y662-R668 HydrophobicContact CE2-CB 3.75Å; Y662-R668 HydrophobicContact CE2-CG 4.39Å; Y662-P669 PolarHBondContact OH-O 3.38Å
663	L	90.5	Very high	84.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-32.4	177.7	-66.1	-178.1	0	0	0	113.3	L123 L589 V594 L597 F659 N660 D665	L123-L663 HydrophobicContact CB-CD2 4.38Å; L123-L663 HydrophobicContact CD1-CD2 3.9Å; L589-L663 WeakPolarHBondContact CD1-O 3.24Å; V594-L663 HydrophobicContact CG1-CB 3.83Å; V594-L663 HydrophobicContact CG1-CD1 4.43Å; L597-L663 HydrophobicContact CB-CD2 4.34Å; F659-L663 HydrophobicContact CD1-CD1 4.02Å; F659-L663 HydrophobicContact CD1-CG 4.44Å; F659-L663 HydrophobicContact CE1-CD1 3.53Å; F659-L663 HydrophobicContact CE1-CG 4.1Å; F659-L663 HydrophobicContact CE2-CD2 4.42Å; F659-L663 HydrophobicContact CE2-CG 4.49Å; F659-L663 HydrophobicContact CZ-CD1 3.93Å; F659-L663 HydrophobicContact CZ-CD2 4.07Å; F659-L663 HydrophobicContact CZ-CG 4.12Å; F659-L663 PolarHBondContact O-N 2.86Å; N660-L663 WeakPolarHBondContact O-CA 3.26Å; N660-L663 WeakPolarHBondContact O-CB 3.33Å; N660-L663 PolarHBondContact O-N 3.06Å; L663-D665 PolarHBondContact O-N 3.29Å
664	Y	87.5	Confident	82.5	Confident	46 Å²	46	47.4 Å²	47.4	18%	0.18	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.2	178.5	-84.1	-70.8	0	0	0	114	L589 V594 K599 N660 P666	L589-Y664 PolarHBondContact N-O 3.08Å; V594-Y664 HydrophobicContact CB-CD1 4.48Å; V594-Y664 HydrophobicContact CB-CE1 4.28Å; V594-Y664 HydrophobicContact CG1-CD1 4.41Å; V594-Y664 HydrophobicContact CG1-CD2 4.43Å; V594-Y664 HydrophobicContact CG1-CE1 4.29Å; V594-Y664 HydrophobicContact CG1-CE2 4.28Å; V594-Y664 HydrophobicContact CG1-CG 4.47Å; V594-Y664 HydrophobicContact CG2-CD1 3.69Å; V594-Y664 HydrophobicContact CG2-CE1 3.9Å; V594-Y664 HydrophobicContact CG2-CG 4.26Å; K599-Y664 WeakPolarHBondContact CE-OH 3.43Å; K599-Y664 PolarHBondContact NZ-OH 2.85Å; N660-Y664 HydrophobicContact CB-CD2 4.48Å; N660-Y664 HydrophobicContact CB-CE2 4.35Å; N660-Y664 WeakPolarHBondContact O-CD2 3.36Å; N660-Y664 PolarHBondContact O-N 3.24Å; Y664-P666 VanDerWaalsContact O-CD 3.28Å; Y664-P666 WeakPolarHBondContact O-CD 3.5Å
665	D	85	Confident	79.8	Confident	30 Å²	30	57 Å²	57	16%	0.16	27%	0.272	C	S	.	.			trans	-79.4	114.5	-180	-173.7	-2.2	0	0	0	111.2	K139 Y140 L663 K667 R668	K139-D665 WeakPolarHBondContact CE-OD2 3.37Å; K139-D665 IonicContact NZ-OD2 3.52Å; K139-D665 PolarHBondContact NZ-OD2 3.3Å; Y140-D665 HydrophobicContact CE1-CB 3.86Å; Y140-D665 PolarHBondContact OH-OD2 2.89Å; Y140-D665 VanDerWaalsContact OH-OD2 3.12Å; L663-D665 PolarHBondContact O-N 3.29Å; D665-K667 VanDerWaalsContact C-N 3.26Å; D665-K667 PolarHBondContact O-N 3.26Å; D665-K667 WeakPolarHBondContact OD1-CA 3.45Å; D665-K667 PolarHBondContact OD1-N 3.46Å; D665-R668 HydrophobicContact CB-CB 4.14Å; D665-R668 VanDerWaalsContact O-CB 3.32Å; D665-R668 WeakPolarHBondContact O-CB 3.43Å; D665-R668 PolarHBondContact O-N 3.26Å
666	P	82.3	Confident	77.2	Confident	49 Å²	49	61 Å²	61	32%	0.318	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-32.6	175	25.8	-32.7	0	0	0	111.8	E587 L589 Y664 R668	E587-P666 HydrophobicContact CB-CG 4.23Å; E587-P666 VanDerWaalsContact O-CD 3.22Å; E587-P666 WeakPolarHBondContact O-CD 3.46Å; E587-P666 WeakPolarHBondContact O-CG 3.46Å; L589-P666 HydrophobicContact CD1-CB 4.45Å; L589-P666 HydrophobicContact CD2-CB 4.42Å; L589-P666 HydrophobicContact CG-CB 4.1Å; Y664-P666 VanDerWaalsContact O-CD 3.28Å; Y664-P666 WeakPolarHBondContact O-CD 3.5Å; P666-R668 VanDerWaalsContact C-N 3.29Å; P666-R668 PolarHBondContact O-N 3.05Å
667	K	81	Confident	74.5	Confident	162 Å²	162	69.4 Å²	69.4	70%	0.704	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	33.6	178.4	-62.7	-177.6	-177.8	172.3	0	111.5	D665	D665-K667 VanDerWaalsContact C-N 3.26Å; D665-K667 PolarHBondContact O-N 3.26Å; D665-K667 WeakPolarHBondContact OD1-CA 3.45Å; D665-K667 PolarHBondContact OD1-N 3.46Å
668	R	84.3	Confident	71.7	Confident	32 Å²	32	73 Å²	73	12%	0.121	35%	0.353	C	S	.	.			trans	-60.5	141.8	178.7	64.9	-169.9	179.4	-72.6	-17.8	111.6	L123 Y662 D665 P666	L123-R668 VanDerWaalsContact CD2-NE 3.3Å; Y662-R668 HydrophobicContact CD2-CB 4.18Å; Y662-R668 HydrophobicContact CE2-CB 3.75Å; Y662-R668 HydrophobicContact CE2-CG 4.39Å; D665-R668 HydrophobicContact CB-CB 4.14Å; D665-R668 VanDerWaalsContact O-CB 3.32Å; D665-R668 WeakPolarHBondContact O-CB 3.43Å; D665-R668 PolarHBondContact O-N 3.26Å; P666-R668 VanDerWaalsContact C-N 3.29Å; P666-R668 PolarHBondContact O-N 3.05Å
669	P	80.5	Confident	68.8	Low	7 Å²	7	77 Å²	77	5%	0.045	38%	0.381	C	S	.	.			trans	-63.2	139.1	170.5	-18.3	28.1	0	0	0	112.1	F126 W135 Y140 F350 Y662	F126-P669 HydrophobicContact CE1-CB 3.94Å; F126-P669 WeakPolarHBondContact CE1-O 3.47Å; F126-P669 HydrophobicContact CZ-CB 3.8Å; W135-P669 HydrophobicContact CH2-CB 3.97Å; W135-P669 HydrophobicContact CH2-CG 3.75Å; W135-P669 HydrophobicContact CZ3-CB 4.47Å; W135-P669 HydrophobicContact CZ3-CG 3.77Å; Y140-P669 WeakPolarHBondContact OH-CD 3.49Å; F350-P669 HydrophobicContact CE1-CB 3.99Å; Y662-P669 PolarHBondContact OH-O 3.38Å
670	F	74.5	Confident	66.2	Low	106 Å²	106	86.2 Å²	86.2	47%	0.465	42%	0.417	S	S	.	.			trans	-131.1	155.1	173.2	61.1	-85.4	0	0	0	109.4	M672	F670-M672 PolarHBondContact O-N 3.18Å
671	A	68.3	Low	63.7	Low	18 Å²	18	93.9 Å²	93.9	15%	0.149	45%	0.453	C	S	.	.			trans	-69.7	124.1	171.1	0	0	0	0	0	108.6	F126 E673	F126-A671 HydrophobicContact CD2-CB 4.05Å; F126-A671 HydrophobicContact CE2-CB 4.4Å; A671-E673 PolarHBondContact O-N 3.26Å; A671-E673 VanDerWaalsContact O-N 3.1Å
672	M	62.6	Low	61.2	Low	89 Å²	89	97.2 Å²	97.2	44%	0.438	48%	0.476	S	S	.	.			trans	-63.2	116.1	169	-72.7	-175.6	173.2	0	0	108.4	Q346 E347 F670 T674	Q346-M672 HydrophobicContact CB-CE 4.04Å; E347-M672 HydrophobicContact CG-CE 3.58Å; E347-M672 HydrophobicContact CG-SD 4.15Å; F670-M672 PolarHBondContact O-N 3.18Å; M672-T674 PolarHBondContact O-N 2.9Å
673	E	56.6	Low	58.5	Low	111 Å²	111	100.9 Å²	100.9	52%	0.519	51%	0.513	S	S	.	.			trans	-62.5	110.7	168.7	-68.8	-176.5	172.4	0	0	107.3	Q122 A671 R675	Q122-E673 PolarHBondContact NE2-OE1 3.49Å; A671-E673 PolarHBondContact O-N 3.26Å; A671-E673 VanDerWaalsContact O-N 3.1Å; E673-R675 PolarHBondContact O-N 2.78Å
674	T	47.4	Very low	55.9	Low	129 Å²	129	105.5 Å²	105.5	79%	0.791	55%	0.551	S	S	*	*			trans	-66.2	96.2	168.6	-56.9	0	0	0	0	105.5	M672 Q676	M672-T674 PolarHBondContact O-N 2.9Å; T674-Q676 PolarHBondContact O-N 3.03Å
675	R	38	Very low	53.6	Low	221 Å²	221	111 Å²	111	83%	0.834	58%	0.584	S	S	*	*			trans	-52.6	110.2	165	-87.3	-174	173.1	-178.6	-2.5	105.4	E673 Q677	E673-R675 PolarHBondContact O-N 2.78Å; R675-Q677 VanDerWaalsContact C-N 3.28Å; R675-Q677 PolarHBondContact O-N 3.14Å
676	Q	37.5	Very low	51.3	Low	167 Å²	167	121.3 Å²	121.3	78%	0.78	62%	0.621	S	S	*	*			trans	-56.3	108.1	161.8	-68.6	-178.3	7	0	0	103.9	T674 T678	T674-Q676 PolarHBondContact O-N 3.03Å; Q676-T678 PolarHBondContact O-N 2.88Å
677	Q	36.8	Very low	49.5	Very low	182 Å²	182	125.7 Å²	125.7	85%	0.85	65%	0.646	S	S	*	*			trans	-56.6	103.7	163.2	-75.2	-179.7	-8.8	0	0	103.8	R675 S679	R675-Q677 VanDerWaalsContact C-N 3.28Å; R675-Q677 PolarHBondContact O-N 3.14Å; Q677-S679 PolarHBondContact O-N 2.87Å
678	T	32.7	Very low	47.3	Very low	100 Å²	100	121.7 Å²	121.7	61%	0.613	65%	0.651	S	S	*	*			trans	-60.8	94.8	161.9	42.2	0	0	0	0	104	Q676 Y680	Q676-T678 PolarHBondContact O-N 2.88Å; T678-Y680 PolarHBondContact O-N 3.35Å
679	S	33.3	Very low	45.2	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	69%	0.688	S	S	*	*			trans	-59.1	101.2	161	45.8	0	0	0	0	104.3	Q677 Q681	Q677-S679 PolarHBondContact O-N 2.87Å; S679-Q681 PolarHBondContact O-N 3.35Å
680	Y	37.9	Very low	43.3	Very low	201 Å²	201	129.8 Å²	129.8	79%	0.788	72%	0.719	S	S	*	*			trans	-61.6	85	159.1	-71.4	-83.7	0	0	0	105.6	T678 T682	T678-Y680 PolarHBondContact O-N 3.35Å; Y680-T682 PolarHBondContact O-N 2.82Å
681	Q	39.4	Very low	41.6	Very low	170 Å²	170	131.2 Å²	131.2	79%	0.794	73%	0.732	S	S	*	*			trans	-69.9	86.5	161.6	-75.5	-177	-12.2	0	0	105.6	S679 G683	S679-Q681 PolarHBondContact O-N 3.35Å; Q681-G683 PolarHBondContact O-N 3.16Å
682	T	39.7	Very low	40.2	Very low	131 Å²	131	140.7 Å²	140.7	80%	0.804	76%	0.764	S	S	*	*			trans	-49.3	121.2	159.4	46.6	0	0	0	0	107.7	Y680	Y680-T682 PolarHBondContact O-N 2.82Å
683	G	32.1	Very low	39.2	Very low	77 Å²	77	145.9 Å²	145.9	79%	0.794	78%	0.78	S	S	*	*			trans	-57.4	147.5	-161.9	0	0	0	0	0	116	Q681	Q681-G683 PolarHBondContact O-N 3.16Å
684	A	36.6	Very low	38.6	Very low	97 Å²	97	148.6 Å²	148.6	80%	0.802	79%	0.792	S	S	*	*			trans	-150.4	45	162.4	0	0	0	0	0	110.9
685	D	38.9	Very low	38.3	Very low	162 Å²	162	151.2 Å²	151.2	87%	0.866	80%	0.796	S	S	*	*			trans	-106.9	83.1	163.3	-80.7	-34.5	0	0	0	109.4
686	R	37.2	Very low	38.5	Very low	247 Å²	247	144.1 Å²	144.1	93%	0.932	79%	0.791	S	S	*	*			trans	-113.1	90.9	156.6	-88.2	-170.6	173.4	175.6	-0.6	107.7
687	V	44.2	Very low	38.7	Very low	141 Å²	141	146 Å²	146	86%	0.855	80%	0.8	S	S	*	*			trans	-131.8	111.6	161.4	-176.1	0	0	0	0	108.6
688	G	35.9	Very low	38.8	Very low	78 Å²	78	141 Å²	141	80%	0.804	80%	0.797	S	S	*	*			trans	72.6	65.4	141.9	0	0	0	0	0	118.8
689	A	39	Very low	39.2	Very low	108 Å²	108	141.7 Å²	141.7	89%	0.893	80%	0.797	S	S	*	*			trans	-102.8	83.4	149.2	0	0	0	0	0	108.5
690	S	40.4	Very low	39.5	Very low	100 Å²	100	147.2 Å²	147.2	70%	0.699	81%	0.806	S	S	*	*			trans	-70.2	150.5	160.4	-176.8	0	0	0	0	108.8
691	D	38.8	Very low	39.5	Very low	137 Å²	137	141.1 Å²	141.1	73%	0.733	80%	0.804	S	S	*	*			trans	88.8	78.2	169.5	-53.5	-13.1	0	0	0	117
692	R	40.3	Very low	39.5	Very low	217 Å²	217	143.4 Å²	143.4	82%	0.819	81%	0.805	S	S	*	*				-171.8	132.5	121.8	-114.1	174.1	-89.1	-174.9	-9.4	114.6
693	Y	40.9	Very low	39.7	Very low	198 Å²	198	143.8 Å²	143.8	78%	0.776	80%	0.798	S	S	*	*			trans	74.8	82.3	158.3	-60.9	-67.1	0	0	0	119.6
694	Q	43	Very low	40.1	Very low	167 Å²	167	148.6 Å²	148.6	78%	0.78	80%	0.8	S	S	*	*				33.6	121.6	105.6	-151	164.5	47.1	0	0	119.5
695	Q	42.4	Very low	40.1	Very low	185 Å²	185	147.3 Å²	147.3	86%	0.864	80%	0.796	S	S	*	*			trans	87.8	123.3	147.7	-84.2	174.5	30.9	0	0	121.8
696	G	41.1	Very low	40.1	Very low	72 Å²	72	149.4 Å²	149.4	74%	0.742	80%	0.798	S	S	*	*			trans	128.4	70.3	158.8	0	0	0	0	0	113.9
697	Q	41.9	Very low	40.1	Very low	206 Å²	206	141.3 Å²	141.3	96%	0.963	79%	0.792	S	S	*	*				59.3	125.5	97	-84.2	-166.4	5.5	0	0	117.9
698	G	38.7	Very low	39.7	Very low	76 Å²	76	138.7 Å²	138.7	78%	0.784	79%	0.793	S	S	*	*			trans	106.7	103.4	156.5	0	0	0	0	0	114.7
699	D	40.8	Very low	39.7	Very low	116 Å²	116	138 Å²	138	62%	0.62	79%	0.785	S	S	*	*			cis	109.8	143.4	37.3	-159.8	5.8	0	0	0	111.6
700	Y	40.3	Very low	39.6	Very low	206 Å²	206	142.7 Å²	142.7	81%	0.808	78%	0.781	S	S	*	*			trans	74.5	125.1	172.8	-32.2	-70.2	0	0	0	118.5
701	G	38.9	Very low	39.4	Very low	73 Å²	73	148.2 Å²	148.2	75%	0.753	79%	0.789	S	S	*	*			cis	115.1	111.1	10.3	0	0	0	0	0	112.7
702	R	39.1	Very low	39.4	Very low	217 Å²	217	153.7 Å²	153.7	82%	0.819	80%	0.799	S	S	*	*			trans	152.7	120.1	146	-90.7	-156.9	-156.7	-96.7	4.1	113.5
703	Q	43.1	Very low	39.3	Very low	140 Å²	140	152.7 Å²	152.7	65%	0.654	80%	0.804	S	S	*	*				74.9	106.2	83.3	-80.6	177.9	-0.8	0	0	114.2
704	Q	39.8	Very low	39.2	Very low	178 Å²	178	147 Å²	147	83%	0.832	80%	0.804	S	S	*	*				88	130.4	88.5	-88.6	-162.9	24.7	0	0	115.7
705	G	38.2	Very low	38.9	Very low	70 Å²	70	142.4 Å²	142.4	72%	0.722	80%	0.803	S	S	*	*			trans	152.9	93.4	163.4	0	0	0	0	0	112.8
706	F	38.6	Very low	38.6	Very low	205 Å²	205	140.1 Å²	140.1	90%	0.899	80%	0.796	S	S	*	*				94.6	125.4	75.1	-101.4	-82.7	0	0	0	115.9
707	G	36.9	Very low	38.4	Very low	78 Å²	78	146.1 Å²	146.1	80%	0.804	80%	0.798	S	S	*	*			trans	92.2	129.1	153.7	0	0	0	0	0	116.8
708	G	35.9	Very low	38.2	Very low	85 Å²	85	147.7 Å²	147.7	88%	0.876	80%	0.795	S	S	*	*			cis	101.7	98.5	11.6	0	0	0	0	0	113
709	G	36.2	Very low	38.2	Very low	63 Å²	63	155.3 Å²	155.3	65%	0.649	80%	0.8	S	S	*	*			trans	156.4	103.1	157.2	0	0	0	0	0	121
710	Y	36.5	Very low	38	Very low	207 Å²	207	156.9 Å²	156.9	81%	0.812	81%	0.809	S	S	*	*				41.2	130.8	127	-40.4	-63.3	0	0	0	125.4
711	Y	36.3	Very low	37.9	Very low	217 Å²	217	156.1 Å²	156.1	85%	0.851	81%	0.806	S	S	*	*			trans	42.6	125	145.8	-58.9	-71	0	0	0	121.9
712	R	39	Very low	38	Very low	251 Å²	251	161.6 Å²	161.6	95%	0.947	81%	0.805	S	S	*	*				-169.8	135.3	120.1	-109.8	-170.8	-157.1	-109.8	5.3	114.2
713	Q	38.4	Very low	38.1	Very low	197 Å²	197	159.9 Å²	159.9	92%	0.921	81%	0.806	S	S	*	*			trans	-69.2	151.6	158.9	-116.8	-179.3	15.3	0	0	110.9
714	G	37.6	Very low	37.7	Very low	77 Å²	77	163.6 Å²	163.6	79%	0.794	81%	0.814	S	S	*	*			trans	132.6	98.3	147.7	0	0	0	0	0	116.8
715	G	38	Very low	37.6	Very low	72 Å²	72	164.8 Å²	164.8	74%	0.742	81%	0.811	S	S	*	*				68.2	134.4	124.7	0	0	0	0	0	121.7
716	N	36.1	Very low	37.8	Very low	136 Å²	136	168.5 Å²	168.5	73%	0.727	81%	0.814	S	S	*	*			trans	97.1	111.9	137.6	-70.3	-11.3	0	0	0	121.2
717	Y	36.5	Very low	37.9	Very low	199 Å²	199	167.9 Å²	167.9	78%	0.78	81%	0.807	S	S	*	*			trans	59	120.6	134.8	-58	-68.9	0	0	0	122.4
718	R	38.2	Very low	38	Very low	239 Å²	239	167.7 Å²	167.7	90%	0.902	81%	0.805	S	S	*	*			trans	38.4	119.2	138.5	-66.6	-158.4	-175	-156.3	5.4	119.6
719	R	38.4	Very low	38.2	Very low	235 Å²	235	168.8 Å²	168.8	89%	0.887	80%	0.8	S	S	*	*				-179.5	134.2	114.1	-117.4	-178.6	-179.8	176.5	0.9	111.7
720	D	35.3	Very low	38.3	Very low	150 Å²	150	174.1 Å²	174.1	80%	0.802	81%	0.808	S	S	*	*			trans	-51.3	153.5	160.4	-56.8	-84.2	0	0	0	112.8
721	Y	39.6	Very low	38.3	Very low	190 Å²	190	175.4 Å²	175.4	75%	0.745	81%	0.811	S	S	*	*			trans	-168.1	111.4	136.7	-115.4	-95.8	0	0	0	111.9
722	Y	40.2	Very low	38.2	Very low	187 Å²	187	170 Å²	170	73%	0.733	81%	0.805	S	S	*	*			trans	65.2	122.5	138.5	-77.7	-108.3	0	0	0	124.8
723	Q	40.7	Very low	38.3	Very low	181 Å²	181	168.9 Å²	168.9	85%	0.846	80%	0.802	S	S	*	*				160	125.9	118.9	-86.5	172.2	25.6	0	0	107.7
724	R	36.5	Very low	38.2	Very low	219 Å²	219	163 Å²	163	83%	0.826	79%	0.794	S	S	*	*			cis	-144.7	150	18.5	-77.4	-170.5	-178.3	-104.1	1.9	110.5
725	R	37.4	Very low	38.2	Very low	203 Å²	203	166.5 Å²	166.5	77%	0.766	80%	0.795	S	S	*	*			trans	-106.8	133.7	158	-112.5	-179	178	-167.2	-0.9	106.8	Y727	R725-Y727 HydrophobicContact CG-CD2 4.42Å
726	D	41.5	Very low	38	Very low	148 Å²	148	169.1 Å²	169.1	79%	0.791	79%	0.792	S	S	*	*			trans	-122.5	117.5	151.5	-100.5	-47.6	0	0	0	107.6
727	Y	40.3	Very low	38.1	Very low	191 Å²	191	173.6 Å²	173.6	75%	0.749	80%	0.799	S	S	*	*			trans	-102.5	126.3	170.1	-107.9	-99.5	0	0	0	106.3	R725	R725-Y727 HydrophobicContact CG-CD2 4.42Å
728	G	40	Very low	38.2	Very low	74 Å²	74	172.4 Å²	172.4	76%	0.763	79%	0.794	S	S	*	*			trans	-158.2	79.2	-178.3	0	0	0	0	0	113.1
729	S	39.1	Very low	38.2	Very low	108 Å²	108	170.6 Å²	170.6	76%	0.755	79%	0.789	S	S	*	*			trans	39.4	123	141.5	-164.9	0	0	0	0	121
730	Q	37.9	Very low	38.2	Very low	175 Å²	175	165.8 Å²	165.8	82%	0.818	79%	0.785	S	S	*	*			trans	-31.6	142.9	153.3	-64.6	156.2	-52.1	0	0	116.4
731	R	37	Very low	38.5	Very low	235 Å²	235	167.7 Å²	167.7	89%	0.887	79%	0.79	S	S	*	*			trans	157.1	104.6	141.8	-85.3	160.8	-168.8	-136.8	4.2	107.4
732	S	34.7	Very low	38.7	Very low	104 Å²	104	162.2 Å²	162.2	73%	0.727	79%	0.791	S	S	*	*				50	143	85.1	-152.6	0	0	0	0	115.1
733	Y	40.1	Very low	39	Very low	226 Å²	226	164.8 Å²	164.8	89%	0.886	80%	0.799	S	S	*	*			trans	82.9	117.8	-167.1	-55.6	-77.3	0	0	0	113.3
734	G	37.9	Very low	39.7	Very low	73 Å²	73	165.9 Å²	165.9	75%	0.753	80%	0.801	S	S	*	*			cis	117.5	134.7	27.3	0	0	0	0	0	108.9
735	N	35.9	Very low	40.5	Very low	152 Å²	152	160.3 Å²	160.3	81%	0.813	79%	0.788	S	S	*	*			trans	89.5	102	167.9	-87.2	-22	0	0	0	121.2
736	N	35.7	Very low	41.9	Very low	127 Å²	127	156.9 Å²	156.9	68%	0.679	79%	0.792	S	S	*	*				28.4	125.4	110.1	-86.2	-0.7	0	0	0	119.4
737	R	37.1	Very low	43.2	Very low	229 Å²	229	160.3 Å²	160.3	86%	0.864	79%	0.794	S	S	*	*				176.2	110.2	122.5	-92.9	157.4	-162.6	-162	9.6	108.9
738	Y	38.6	Very low	44.4	Very low	175 Å²	175	154 Å²	154	69%	0.686	78%	0.781	S	S	*	*				78.8	124.7	91.3	-84.8	-69.8	0	0	0	115.1
739	Y	37.5	Very low	45.3	Very low	201 Å²	201	156.5 Å²	156.5	79%	0.788	78%	0.784	S	S	*	*			trans	65.8	121	159.8	-61.6	-73.8	0	0	0	119.4
740	T	40	Very low	46.1	Very low	133 Å²	133	157.5 Å²	157.5	82%	0.816	78%	0.779	S	S	*	*				170.6	125.4	93.3	-58.6	0	0	0	0	109
741	E	41.5	Very low	47.3	Very low	191 Å²	191	156.4 Å²	156.4	89%	0.893	78%	0.779	S	S	*	*			trans	-56.4	149.5	171.1	-72.7	168.3	131.2	0	0	112
742	G	43.2	Very low	48.1	Very low	74 Å²	74	154.6 Å²	154.6	76%	0.763	77%	0.774	S	S	*	*			trans	103.6	52.2	155.8	0	0	0	0	0	117.3
743	R	45.5	Very low	49.6	Very low	242 Å²	242	155 Å²	155	91%	0.913	77%	0.772	S	S	*	*			trans	-153.4	113.3	138	-75.3	-148.8	-170.7	-104	2.4	108.9	D745	R743-D745 PolarHBondContact O-N 3.15Å
744	K	55.5	Low	50.8	Low	204 Å²	204	149.4 Å²	149.4	89%	0.887	76%	0.758	S	S	*	*			trans	-56.2	125.5	167.2	-95.4	179.8	174	177.9	0	107.8	P746	K744-P746 WeakPolarHBondContact O-CD 3.2Å
745	D	54.7	Low	52.1	Low	101 Å²	101	150 Å²	150	54%	0.54	74%	0.743	S	S	.	*			trans	-57.4	120.2	172.2	-169.8	-16.4	0	0	0	108	R743 R747 A748	R743-D745 PolarHBondContact O-N 3.15Å; D745-R747 PolarHBondContact O-N 3.26Å; D745-R747 PolarHBondContact OD1-N 3.05Å; D745-A748 WeakPolarHBondContact O-CB 3.32Å; D745-A748 PolarHBondContact O-N 3.26Å
746	P	66.2	Low	53.5	Low	132 Å²	132	145.8 Å²	145.8	86%	0.857	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-6.4	177.3	22.6	-31.1	0	0	0	113.2	K744	K744-P746 WeakPolarHBondContact O-CD 3.2Å
747	R	69.4	Low	54.9	Low	219 Å²	219	141.7 Å²	141.7	83%	0.826	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	3.5	173.9	-63.3	-178.3	175.8	134.3	-2.1	114.9	D745	D745-R747 PolarHBondContact O-N 3.26Å; D745-R747 PolarHBondContact OD1-N 3.05Å
748	A	64.9	Low	55.9	Low	59 Å²	59	135.5 Å²	135.5	49%	0.488	69%	0.693	S	S	.	*	S	Bend	trans	-64.6	125.8	173.5	0	0	0	0	0	109.7	D745 I750	D745-A748 WeakPolarHBondContact O-CB 3.32Å; D745-A748 PolarHBondContact O-N 3.26Å; A748-I750 PolarHBondContact O-N 3.37Å; A748-I750 VanDerWaalsContact O-N 3.14Å
749	P	58.6	Low	56.8	Low	127 Å²	127	134.2 Å²	134.2	83%	0.825	70%	0.698	S	S	*	*			trans	-58.8	122	177.1	21.9	-29.8	0	0	0	109.4	N751	P749-N751 PolarHBondContact O-N 3.38Å
750	I	56.5	Low	57	Low	128 Å²	128	131.9 Å²	131.9	66%	0.656	70%	0.699	S	S	*	*			trans	-68.2	112.1	173.9	-59.2	170.8	0	0	0	106.4	A748 Y752	A748-I750 PolarHBondContact O-N 3.37Å; A748-I750 VanDerWaalsContact O-N 3.14Å; I750-Y752 HydrophobicContact CB-CD2 4.18Å; I750-Y752 HydrophobicContact CB-CE2 3.93Å; I750-Y752 HydrophobicContact CG2-CD2 3.7Å; I750-Y752 HydrophobicContact CG2-CE2 3.48Å; I750-Y752 VanDerWaalsContact CG2-CE2 3.48Å; I750-Y752 HydrophobicContact CG2-CG 4.42Å; I750-Y752 PolarHBondContact O-N 2.84Å; I750-Y752 VanDerWaalsContact O-N 3.17Å
751	N	61.9	Low	57	Low	153 Å²	153	129 Å²	129	82%	0.818	70%	0.696	S	S	*	*			trans	-77.9	100.8	174.5	-141.3	11.8	0	0	0	107.5	P749 T753	P749-N751 PolarHBondContact O-N 3.38Å; N751-T753 PolarHBondContact O-N 3.27Å
752	Y	54.4	Low	56.6	Low	196 Å²	196	133.5 Å²	133.5	77%	0.769	71%	0.707	S	S	*	*			trans	-80.8	104.7	174	-83.2	-89.7	0	0	0	108.8	I750 D754	I750-Y752 HydrophobicContact CB-CD2 4.18Å; I750-Y752 HydrophobicContact CB-CE2 3.93Å; I750-Y752 HydrophobicContact CG2-CD2 3.7Å; I750-Y752 HydrophobicContact CG2-CE2 3.48Å; I750-Y752 VanDerWaalsContact CG2-CE2 3.48Å; I750-Y752 HydrophobicContact CG2-CG 4.42Å; I750-Y752 PolarHBondContact O-N 2.84Å; I750-Y752 VanDerWaalsContact O-N 3.17Å; Y752-D754 PolarHBondContact O-N 3.43Å
753	T	66.3	Low	57.2	Low	114 Å²	114	136.5 Å²	136.5	70%	0.699	70%	0.704	S	S	*	*			trans	-79.2	108	161.5	46.1	0	0	0	0	107.6	N751 L755	N751-T753 PolarHBondContact O-N 3.27Å; T753-L755 PolarHBondContact O-N 3.24Å
754	D	66.4	Low	57.8	Low	108 Å²	108	130.9 Å²	130.9	58%	0.578	69%	0.693	S	S	*	*			trans	-67.4	99.6	176.9	-175.9	5.2	0	0	0	109.5	Y752 D756 A757	Y752-D754 PolarHBondContact O-N 3.43Å; D754-D756 PolarHBondContact O-N 3.32Å; D754-D756 WeakPolarHBondContact OD1-CB 3.21Å; D754-D756 PolarHBondContact OD1-N 3.31Å; D754-A757 HydrophobicContact CB-CB 4.08Å; D754-A757 VanDerWaalsContact O-CB 3.29Å; D754-A757 WeakPolarHBondContact O-CB 3.47Å; D754-A757 PolarHBondContact O-N 3.22Å
755	L	63.9	Low	58	Low	84 Å²	84	126.9 Å²	126.9	44%	0.44	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-15.8	177.6	-67.6	175.8	0	0	0	112.2	F91 K115 T753	F91-L755 HydrophobicContact CD1-CD1 3.86Å; F91-L755 HydrophobicContact CE1-CD1 3.92Å; F91-L755 HydrophobicContact CG-CD1 4.44Å; K115-L755 WeakPolarHBondContact CE-O 3.36Å; K115-L755 PolarHBondContact NZ-O 3Å; T753-L755 PolarHBondContact O-N 3.24Å
756	D	66.9	Low	58.2	Low	65 Å²	65	128.4 Å²	128.4	35%	0.348	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.2	-4.4	177	-64.4	-25.3	0	0	0	112.2	T90 F91 Y111 D754	T90-D756 WeakPolarHBondContact CB-OD2 3.47Å; F91-D756 WeakPolarHBondContact CB-OD1 3.31Å; F91-D756 PolarHBondContact N-OD1 2.84Å; Y111-D756 PolarHBondContact OH-OD1 2.83Å; Y111-D756 VanDerWaalsContact OH-OD1 3.06Å; D754-D756 PolarHBondContact O-N 3.32Å; D754-D756 WeakPolarHBondContact OD1-CB 3.21Å; D754-D756 PolarHBondContact OD1-N 3.31Å
757	A	63.6	Low	57.7	Low	40 Å²	40	128.2 Å²	128.2	33%	0.331	68%	0.68	S	S	.	*	S	Bend	trans	-61.9	135.7	176.8	0	0	0	0	0	110.4	D754 D759	D754-A757 HydrophobicContact CB-CB 4.08Å; D754-A757 VanDerWaalsContact O-CB 3.29Å; D754-A757 WeakPolarHBondContact O-CB 3.47Å; D754-A757 PolarHBondContact O-N 3.22Å; A757-D759 PolarHBondContact O-N 2.94Å
758	P	59	Low	56.9	Low	99 Å²	99	122.1 Å²	122.1	64%	0.643	67%	0.67	S	S	*	*			trans	-63.6	129.7	171	26.2	-31.5	0	0	0	108.4	L760	P758-L760 PolarHBondContact O-N 2.73Å
759	D	57.7	Low	56.3	Low	148 Å²	148	126.6 Å²	126.6	79%	0.791	68%	0.683	S	S	*	*			trans	-56.9	110.2	167.5	-75.7	-36.4	0	0	0	107.3	A757 G761	A757-D759 PolarHBondContact O-N 2.94Å; D759-G761 PolarHBondContact O-N 3.29Å
760	L	41.9	Very low	56.1	Low	152 Å²	152	126.6 Å²	126.6	80%	0.796	67%	0.672	S	S	*	*			trans	-71.2	75.8	169.5	-69.1	171	0	0	0	106.9	P758 Y762	P758-L760 PolarHBondContact O-N 2.73Å; L760-Y762 PolarHBondContact O-N 3.24Å; L760-Y762 VanDerWaalsContact O-N 3.16Å
761	G	38.7	Very low	56.1	Low	73 Å²	73	126.5 Å²	126.5	75%	0.753	67%	0.674	S	S	*	*			trans	-63.3	110.6	166.8	0	0	0	0	0	107.9	D759	D759-G761 PolarHBondContact O-N 3.29Å
762	Y	32.6	Very low	55.6	Low	286 Å²	286	124.1 Å²	124.1	100%	1.122	66%	0.661	S	S	*	*			trans	-70.1	0	163.3	-92.6	-88.1	0	0	0	110.3	L760	L760-Y762 PolarHBondContact O-N 3.24Å; L760-Y762 VanDerWaalsContact O-N 3.16Å

Retrieved 762 of 762 residues in 441.8 ms (Link to these results)

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