A0A087X6V5_POEFO Loading...

BCL6A transcription repressor a

AlphaFold DB , UniProt , Accession A0A087X6V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 744 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	34.3	Very low	35	Very low	244 Å²	244	135.7 Å²	135.7	100%	1.202	70%	0.697	S	S	*	*				0	140.9	0	-74	171.5	165.8	0	0	108.5
2	M	27.3	Very low	35	Very low	179 Å²	179	135 Å²	135	88%	0.882	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-73.9	138.3	-179	-67.2	-63.3	-170.6	0	0	111.5
3	P	34.3	Very low	35	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-63.3	132.8	157.8	-15.9	30.7	0	0	0	109.1	A5	P3-A5 PolarHBondContact O-N 3.28Å
4	N	36.8	Very low	35	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-55.5	124.1	-176.4	-87.2	-37.3	0	0	0	112.2	F6 Q7	N4-F6 PolarHBondContact O-N 3.36Å; N4-Q7 WeakPolarHBondContact O-CB 3.28Å; N4-Q7 PolarHBondContact O-N 2.91Å
5	A	37.5	Very low	34.9	Very low	65 Å²	65	132.2 Å²	132.2	54%	0.537	67%	0.67	S	S	.	*	H	α-helix	trans	-56.3	-20.9	-178	0	0	0	0	0	114.1	P3 Q7 Q8 K9	P3-A5 PolarHBondContact O-N 3.28Å; A5-Q7 VanDerWaalsContact C-N 3.35Å; A5-Q8 PolarHBondContact O-N 3.28Å; A5-K9 PolarHBondContact O-N 2.83Å
6	F	33.1	Very low	34.8	Very low	161 Å²	161	131.5 Å²	131.5	71%	0.706	67%	0.668	S	S	*	*	H	α-helix	trans	-60.8	-38.7	171.7	-160.1	-98.8	0	0	0	113	N4 K10	N4-F6 PolarHBondContact O-N 3.36Å; F6-K10 PolarHBondContact O-N 3.46Å
7	Q	37.1	Very low	34.8	Very low	132 Å²	132	131.6 Å²	131.6	62%	0.617	67%	0.669	S	S	*	*	H	α-helix	trans	-69.3	-40.9	175	-69.9	-71.1	3.2	0	0	111.2	N4 A5 K10 A11	N4-Q7 WeakPolarHBondContact O-CB 3.28Å; N4-Q7 PolarHBondContact O-N 2.91Å; A5-Q7 VanDerWaalsContact C-N 3.35Å; Q7-K10 PolarHBondContact O-N 3.29Å; Q7-A11 PolarHBondContact O-N 3.22Å
8	Q	36.5	Very low	34.8	Very low	136 Å²	136	129.4 Å²	129.4	64%	0.636	67%	0.667	S	S	*	*	H	α-helix	trans	-66.7	-42.4	-178.3	-161.2	170.7	12.6	0	0	111.8	A5 K10 A11 Q12	A5-Q8 PolarHBondContact O-N 3.28Å; Q8-K10 VanDerWaalsContact C-N 3.33Å; Q8-K10 PolarHBondContact O-N 3.45Å; Q8-A11 PolarHBondContact O-N 3.28Å; Q8-Q12 WeakPolarHBondContact O-CB 3.47Å; Q8-Q12 PolarHBondContact O-N 3.03Å
9	K	36.3	Very low	34.6	Very low	156 Å²	156	129.5 Å²	129.5	68%	0.678	66%	0.664	S	S	*	*	H	α-helix	trans	-60.3	-40	171.3	-75.4	-172	174.9	-175.6	0	112.4	A5 Q12 Q13	A5-K9 PolarHBondContact O-N 2.83Å; K9-Q12 PolarHBondContact O-N 2.95Å; K9-Q13 WeakPolarHBondContact O-CB 3.29Å; K9-Q13 PolarHBondContact O-N 3.47Å
10	K	37.7	Very low	34.5	Very low	125 Å²	125	126.5 Å²	126.5	54%	0.543	67%	0.666	S	S	.	*	H	α-helix	trans	-64.7	-40.7	176.6	-127.7	175.5	-176.4	179.9	0	112.5	F6 Q7 Q8 M14	F6-K10 PolarHBondContact O-N 3.46Å; Q7-K10 PolarHBondContact O-N 3.29Å; Q8-K10 VanDerWaalsContact C-N 3.33Å; Q8-K10 PolarHBondContact O-N 3.45Å; K10-M14 VanDerWaalsContact O-CG 3.26Å; K10-M14 WeakPolarHBondContact O-CG 3.48Å; K10-M14 PolarHBondContact O-N 3.33Å
11	A	34.4	Very low	34.5	Very low	55 Å²	55	126.1 Å²	126.1	46%	0.455	67%	0.669	S	S	.	*	H	α-helix	trans	-65.8	-38.8	174.1	0	0	0	0	0	112.5	Q7 Q8 M14 L15	Q7-A11 PolarHBondContact O-N 3.22Å; Q8-A11 PolarHBondContact O-N 3.28Å; A11-M14 WeakPolarHBondContact O-CB 3.22Å; A11-M14 PolarHBondContact O-N 2.8Å; A11-L15 PolarHBondContact O-N 2.74Å
12	Q	34.8	Very low	34.4	Very low	127 Å²	127	122.2 Å²	122.2	59%	0.593	65%	0.653	S	S	*	*	H	α-helix	trans	-70.2	-37.2	179	-154.2	167	16.6	0	0	112	Q8 K9 L15 L16	Q8-Q12 WeakPolarHBondContact O-CB 3.47Å; Q8-Q12 PolarHBondContact O-N 3.03Å; K9-Q12 PolarHBondContact O-N 2.95Å; Q12-L15 PolarHBondContact O-N 3.33Å; Q12-L16 PolarHBondContact O-N 2.9Å; Q12-L16 VanDerWaalsContact O-N 3.11Å
13	Q	35.5	Very low	34.5	Very low	131 Å²	131	116.7 Å²	116.7	61%	0.612	64%	0.642	S	S	*	*	H	α-helix	trans	-67.8	-35.7	173	-165.8	172.4	22.9	0	0	112.4	K9 L17	K9-Q13 WeakPolarHBondContact O-CB 3.29Å; K9-Q13 PolarHBondContact O-N 3.47Å; Q13-L17 PolarHBondContact O-N 3.35Å
14	M	34.7	Very low	34.2	Very low	126 Å²	126	120.9 Å²	120.9	62%	0.621	65%	0.654	S	S	*	*	H	α-helix	trans	-64.1	-41.5	169.8	-73.8	-85.5	-70.3	0	0	112.1	K10 A11 L16 L17 C18	K10-M14 VanDerWaalsContact O-CG 3.26Å; K10-M14 WeakPolarHBondContact O-CG 3.48Å; K10-M14 PolarHBondContact O-N 3.33Å; A11-M14 WeakPolarHBondContact O-CB 3.22Å; A11-M14 PolarHBondContact O-N 2.8Å; M14-L16 PolarHBondContact O-N 3.47Å; M14-L17 PolarHBondContact O-N 2.9Å; M14-C18 PolarHBondContact O-N 3.18Å
15	L	32.9	Very low	33.8	Very low	106 Å²	106	126.5 Å²	126.5	56%	0.555	67%	0.666	S	S	*	*	H	α-helix	trans	-63.2	-42.1	178.2	-118.4	83.1	0	0	0	112.5	A11 Q12 L17 C18 Q19	A11-L15 PolarHBondContact O-N 2.74Å; Q12-L15 PolarHBondContact O-N 3.33Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.17Å; L15-C18 PolarHBondContact O-N 2.86Å; L15-C18 VanDerWaalsContact O-N 3.11Å; L15-Q19 WeakPolarHBondContact O-CG 3.33Å; L15-Q19 PolarHBondContact O-N 3.05Å
16	L	33.9	Very low	33.5	Very low	121 Å²	121	132 Å²	132	63%	0.634	68%	0.678	S	S	*	*	H	α-helix	trans	-60.8	-37.5	176.6	-81.4	161.1	0	0	0	112.4	Q12 M14 C18 Q19	Q12-L16 PolarHBondContact O-N 2.9Å; Q12-L16 VanDerWaalsContact O-N 3.11Å; M14-L16 PolarHBondContact O-N 3.47Å; L16-C18 VanDerWaalsContact C-N 3.34Å; L16-Q19 PolarHBondContact O-N 2.78Å
17	L	35	Very low	33.2	Very low	133 Å²	133	131.5 Å²	131.5	70%	0.696	68%	0.682	S	S	*	*	H	α-helix	trans	-67	-32.9	174.1	-74.1	165.8	0	0	0	112.7	Q13 M14 L15	Q13-L17 PolarHBondContact O-N 3.35Å; M14-L17 PolarHBondContact O-N 2.9Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.17Å
18	C	33.8	Very low	33.3	Very low	93 Å²	93	130.9 Å²	130.9	63%	0.628	69%	0.693	S	S	*	*	H	α-helix	trans	-78.3	-28.9	175.5	-67.3	0	0	0	0	113.6	M14 L15 L16 G20	M14-C18 PolarHBondContact O-N 3.18Å; L15-C18 PolarHBondContact O-N 2.86Å; L15-C18 VanDerWaalsContact O-N 3.11Å; L16-C18 VanDerWaalsContact C-N 3.34Å; C18-G20 VanDerWaalsContact C-N 3.3Å; C18-G20 PolarHBondContact O-N 2.95Å
19	Q	31.9	Very low	32.7	Very low	131 Å²	131	133.7 Å²	133.7	61%	0.612	71%	0.706	S	S	*	*	H	α-helix	trans	-75.5	-15.2	-178.7	-76.2	-180	-21.9	0	0	113.9	L15 L16 V21	L15-Q19 WeakPolarHBondContact O-CG 3.33Å; L15-Q19 PolarHBondContact O-N 3.05Å; L16-Q19 PolarHBondContact O-N 2.78Å; Q19-V21 PolarHBondContact O-N 3.45Å
20	G	32.3	Very low	32.2	Very low	68 Å²	68	131.5 Å²	131.5	70%	0.701	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-4.2	175.5	0	0	0	0	0	115.9	C18	C18-G20 VanDerWaalsContact C-N 3.3Å; C18-G20 PolarHBondContact O-N 2.95Å
21	V	35	Very low	31.6	Very low	120 Å²	120	131.9 Å²	131.9	73%	0.727	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	44.3	-173.7	-158.1	0	0	0	0	112.1	Q19	Q19-V21 PolarHBondContact O-N 3.45Å
22	N	31.2	Very low	31.1	Very low	161 Å²	161	134.4 Å²	134.4	86%	0.861	73%	0.732	S	S	*	*			trans	-126.4	41.3	171.1	-103.2	-35.6	0	0	0	112.3
23	G	30.9	Very low	30.6	Very low	64 Å²	64	138.5 Å²	138.5	66%	0.66	74%	0.742	S	S	*	*			trans	-130.3	147.8	170	0	0	0	0	0	110.6
24	M	26.4	Very low	30	Very low	198 Å²	198	139.2 Å²	139.2	98%	0.975	75%	0.75	S	S	*	*			trans	65.8	89	175	-55.7	-172.4	178.7	0	0	116.6
25	R	29.9	Very low	29.7	Very low	247 Å²	247	140.9 Å²	140.9	93%	0.932	76%	0.756	S	S	*	*			trans	-78.1	116.9	140.9	-72.6	-175.5	-178.2	-176.6	0.9	108.3
26	K	30.5	Very low	29.3	Very low	182 Å²	182	144.2 Å²	144.2	79%	0.791	77%	0.769	S	S	*	*				176.8	160.6	122.2	-102.1	-175	178.6	-172.2	0	112.3
27	D	27.3	Very low	29	Very low	150 Å²	150	147.7 Å²	147.7	80%	0.802	78%	0.779	S	S	*	*			trans	66.5	162	166.1	-48.4	-27.2	0	0	0	116.1
28	S	38.1	Very low	28.6	Very low	119 Å²	119	150 Å²	150	83%	0.832	79%	0.786	S	S	*	*			trans	-115.9	94.6	-143.9	58	0	0	0	0	114.5
29	E	24.3	Very low	28.2	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	79%	0.787	S	S	*	*			trans	-133	156.3	168	-67.6	-159.9	142.4	0	0	112.4
30	S	25.5	Very low	27.8	Very low	110 Å²	110	152.8 Å²	152.8	77%	0.769	80%	0.804	S	S	*	*			trans	-95.4	113.9	-175.5	48.4	0	0	0	0	112.3	V32	S30-V32 PolarHBondContact O-N 3.42Å; S30-V32 VanDerWaalsContact O-N 3.13Å
31	V	24.6	Very low	27.4	Very low	133 Å²	133	157 Å²	157	81%	0.806	81%	0.805	S	S	*	*			trans	-71.1	107.5	-179.1	-178.6	0	0	0	0	111.3
32	V	25.4	Very low	27.1	Very low	108 Å²	108	158.3 Å²	158.3	66%	0.655	80%	0.803	S	S	*	*			trans	-93.6	118.7	174.8	178.8	0	0	0	0	110.6	S30 N34	S30-V32 PolarHBondContact O-N 3.42Å; S30-V32 VanDerWaalsContact O-N 3.13Å; V32-N34 PolarHBondContact O-N 3.21Å
33	W	23.3	Very low	26.7	Very low	213 Å²	213	157 Å²	157	81%	0.807	80%	0.795	S	S	*	*			trans	-73.4	94.9	176.7	-85.5	80	0	0	0	112.5
34	N	23.5	Very low	26.4	Very low	147 Å²	147	159.8 Å²	159.8	79%	0.786	80%	0.796	S	S	*	*			trans	-94.3	102.1	168.1	-85.2	-37.2	0	0	0	110.8	V32 H36	V32-N34 PolarHBondContact O-N 3.21Å; N34-H36 PolarHBondContact O-N 3.04Å; N34-H36 VanDerWaalsContact O-N 3.15Å
35	H	28.1	Very low	26.6	Very low	160 Å²	160	158.3 Å²	158.3	74%	0.741	78%	0.784	S	S	*	*			trans	-81.8	95	178.6	-123.6	-57	0	0	0	111.8
36	H	25.1	Very low	26.6	Very low	177 Å²	177	154.1 Å²	154.1	82%	0.819	78%	0.776	S	S	*	*			trans	-61.9	145.1	163.9	-139.3	-94.5	0	0	0	109.6	N34	N34-H36 PolarHBondContact O-N 3.04Å; N34-H36 VanDerWaalsContact O-N 3.15Å
37	K	27	Very low	26.5	Very low	194 Å²	194	148.1 Å²	148.1	84%	0.843	76%	0.761	S	S	*	*			trans	-140.5	95.2	179.6	-166.5	168.8	-172.4	171.6	0	112.5
38	Q	25.5	Very low	26.7	Very low	181 Å²	181	144 Å²	144	85%	0.846	74%	0.744	S	S	*	*			trans	-66.8	151.3	155.6	-75.5	173.6	-29.2	0	0	109.2
39	G	26.1	Very low	26.3	Very low	64 Å²	64	141.7 Å²	141.7	66%	0.66	73%	0.731	S	S	*	*			trans	-98	155.6	-167.4	0	0	0	0	0	114.7
40	F	23.4	Very low	26.5	Very low	219 Å²	219	135.3 Å²	135.3	96%	0.961	71%	0.712	S	S	*	*			trans	-153	150.3	142.5	-114.6	-81.3	0	0	0	108.9
41	Q	25.1	Very low	26.7	Very low	156 Å²	156	133.2 Å²	133.2	73%	0.729	69%	0.692	S	S	*	*			trans	-92.2	165.9	168.6	-71.1	164.7	-98	0	0	108.5
42	E	27.5	Very low	27.2	Very low	147 Å²	147	129.9 Å²	129.9	69%	0.687	68%	0.675	S	S	*	*			cis	-153.4	-154.9	9.8	-146.7	158.3	-138	0	0	113.5
43	L	23.4	Very low	27.6	Very low	133 Å²	133	127.6 Å²	127.6	70%	0.696	66%	0.662	S	S	*	*	S	Bend	trans	78.8	141.3	172.6	-88.5	63	0	0	0	120.7
44	D	25.3	Very low	28.1	Very low	124 Å²	124	121.6 Å²	121.6	66%	0.663	65%	0.646	S	S	*	*			trans	49.7	62.5	159.5	-63	0.3	0	0	0	121.4	M46 C48	D44-M46 PolarHBondContact O-N 3.18Å; D44-C48 VanDerWaalsContact O-CB 3.24Å; D44-C48 WeakPolarHBondContact O-CB 3.41Å
45	K	30.1	Very low	28.7	Very low	166 Å²	166	120.3 Å²	120.3	72%	0.722	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	21.1	-179.9	-69.3	174.8	-176.2	161.5	0	116.9
46	M	29.1	Very low	29	Very low	159 Å²	159	117.7 Å²	117.7	78%	0.783	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-33.9	170.7	-81.4	-172.6	175.2	0	0	115	D44 C48 A49	D44-M46 PolarHBondContact O-N 3.18Å; M46-C48 PolarHBondContact O-N 2.78Å; M46-A49 PolarHBondContact O-N 3.32Å
47	A	29	Very low	29.5	Very low	56 Å²	56	111.6 Å²	111.6	46%	0.463	60%	0.597	S	S	.	*	H	α-helix	trans	-54.1	-48.4	156.1	0	0	0	0	0	109.4	A49 A50 D51	A47-A49 PolarHBondContact O-N 3.32Å; A47-A50 PolarHBondContact O-N 3.16Å; A47-A50 VanDerWaalsContact O-N 3.08Å; A47-D51 WeakPolarHBondContact O-CB 3.43Å; A47-D51 PolarHBondContact O-N 3.42Å
48	C	32	Very low	30.2	Very low	65 Å²	65	110.6 Å²	110.6	44%	0.439	59%	0.587	S	S	.	*	H	α-helix	trans	-54.5	-12.4	177.5	-165.7	0	0	0	0	116.2	D44 M46 S52	D44-C48 VanDerWaalsContact O-CB 3.24Å; D44-C48 WeakPolarHBondContact O-CB 3.41Å; M46-C48 PolarHBondContact O-N 2.78Å; C48-S52 WeakPolarHBondContact O-CA 3.25Å; C48-S52 WeakPolarHBondContact O-CB 3.38Å; C48-S52 PolarHBondContact O-N 2.81Å
49	A	29.3	Very low	30.7	Very low	69 Å²	69	107.8 Å²	107.8	57%	0.57	57%	0.574	S	S	*	*	H	α-helix	trans	-80.5	-49.1	171.6	0	0	0	0	0	112	M46 A47 C53	M46-A49 PolarHBondContact O-N 3.32Å; A47-A49 PolarHBondContact O-N 3.32Å; A49-C53 PolarHBondContact O-N 3.39Å
50	A	29.1	Very low	31.5	Very low	61 Å²	61	106.2 Å²	106.2	50%	0.504	56%	0.555	S	S	.	*	H	α-helix	trans	-70.8	-44	173.2	0	0	0	0	0	110.3	A47 C53 I54	A47-A50 PolarHBondContact O-N 3.16Å; A47-A50 VanDerWaalsContact O-N 3.08Å; A50-C53 CarbonylContact O-C 3.58Å; A50-C53 WeakPolarHBondContact O-CA 3.39Å; A50-C53 WeakPolarHBondContact O-CB 3.32Å; A50-C53 PolarHBondContact O-N 3.12Å; A50-I54 WeakPolarHBondContact O-CG1 3.3Å; A50-I54 PolarHBondContact O-N 2.92Å
51	D	29.4	Very low	32.4	Very low	66 Å²	66	98.3 Å²	98.3	35%	0.353	53%	0.527	S	S	.	.	H	α-helix	trans	-67.2	-34.3	175	-79.3	-51.9	0	0	0	112.8	A47 C53 I54 Q55	A47-D51 WeakPolarHBondContact O-CB 3.43Å; A47-D51 PolarHBondContact O-N 3.42Å; D51-C53 VanDerWaalsContact C-N 3.26Å; D51-C53 PolarHBondContact O-N 3.2Å; D51-I54 PolarHBondContact O-N 3.32Å; D51-Q55 WeakPolarHBondContact O-CA 3.35Å; D51-Q55 WeakPolarHBondContact O-CB 3.23Å; D51-Q55 WeakPolarHBondContact O-CG 3.24Å; D51-Q55 PolarHBondContact O-N 3.39Å
52	S	35.1	Very low	33.2	Very low	63 Å²	63	94.9 Å²	94.9	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-31.8	169.5	178.1	0	0	0	0	111.1	C48 F56	C48-S52 WeakPolarHBondContact O-CA 3.25Å; C48-S52 WeakPolarHBondContact O-CB 3.38Å; C48-S52 PolarHBondContact O-N 2.81Å; S52-F56 WeakPolarHBondContact O-CA 3.35Å; S52-F56 WeakPolarHBondContact O-CB 3.37Å; S52-F56 PolarHBondContact O-N 2.76Å
53	C	32.6	Very low	34	Very low	59 Å²	59	90.9 Å²	90.9	40%	0.399	50%	0.499	S	S	.	.	H	α-helix	trans	-71.7	-40.5	174.9	-155.4	0	0	0	0	111.9	A49 A50 D51 T57	A49-C53 PolarHBondContact O-N 3.39Å; A50-C53 CarbonylContact O-C 3.58Å; A50-C53 WeakPolarHBondContact O-CA 3.39Å; A50-C53 WeakPolarHBondContact O-CB 3.32Å; A50-C53 PolarHBondContact O-N 3.12Å; D51-C53 VanDerWaalsContact C-N 3.26Å; D51-C53 PolarHBondContact O-N 3.2Å; C53-T57 VanDerWaalsContact O-CB 3.23Å; C53-T57 WeakPolarHBondContact O-CB 3.42Å; C53-T57 PolarHBondContact O-N 3.43Å; C53-T57 PolarHBondContact O-OG1 3.19Å
54	I	35.2	Very low	35	Very low	88 Å²	88	87.8 Å²	87.8	45%	0.451	48%	0.483	S	S	.	.	H	α-helix	trans	-74	-38	177.6	-67.1	165	0	0	0	111.3	A50 D51 R58	A50-I54 WeakPolarHBondContact O-CG1 3.3Å; A50-I54 PolarHBondContact O-N 2.92Å; D51-I54 PolarHBondContact O-N 3.32Å; I54-R58 VanDerWaalsContact O-CB 3.26Å; I54-R58 WeakPolarHBondContact O-CB 3.33Å; I54-R58 WeakPolarHBondContact O-CG 3.48Å; I54-R58 PolarHBondContact O-N 3.11Å
55	Q	34.8	Very low	36	Very low	120 Å²	120	86.4 Å²	86.4	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-74.8	-33.9	174	-67.3	172.3	20.1	0	0	111.6	D51 H59	D51-Q55 WeakPolarHBondContact O-CA 3.35Å; D51-Q55 WeakPolarHBondContact O-CB 3.23Å; D51-Q55 WeakPolarHBondContact O-CG 3.24Å; D51-Q55 PolarHBondContact O-N 3.39Å; Q55-H59 WeakPolarHBondContact O-CA 3.46Å; Q55-H59 WeakPolarHBondContact O-CB 3.41Å; Q55-H59 PolarHBondContact O-N 2.93Å
56	F	35	Very low	36.4	Very low	104 Å²	104	82.2 Å²	82.2	46%	0.456	46%	0.461	S	S	.	.	H	α-helix	trans	-70.9	-37.7	170.3	-177.8	-97.7	0	0	0	110.9	S52 H59 A60	S52-F56 WeakPolarHBondContact O-CA 3.35Å; S52-F56 WeakPolarHBondContact O-CB 3.37Å; S52-F56 PolarHBondContact O-N 2.76Å; F56-H59 PolarHBondContact O-N 3.26Å; F56-A60 WeakPolarHBondContact O-CB 3.31Å; F56-A60 PolarHBondContact O-N 3.03Å
57	T	36.6	Very low	37	Very low	49 Å²	49	76.7 Å²	76.7	30%	0.301	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-43.7	173.8	-55.6	0	0	0	0	110.7	C53 A60 S61	C53-T57 VanDerWaalsContact O-CB 3.23Å; C53-T57 WeakPolarHBondContact O-CB 3.42Å; C53-T57 PolarHBondContact O-N 3.43Å; C53-T57 PolarHBondContact O-OG1 3.19Å; T57-A60 PolarHBondContact O-N 3.23Å; T57-S61 VanDerWaalsContact O-CB 3.26Å; T57-S61 WeakPolarHBondContact O-CB 3.19Å; T57-S61 PolarHBondContact O-N 2.95Å; T57-S61 PolarHBondContact O-OG 3.07Å
58	R	39.7	Very low	37.4	Very low	173 Å²	173	76.9 Å²	76.9	65%	0.653	43%	0.427	S	S	*	.	H	α-helix	trans	-61.7	-46.5	171.4	-83.8	-177.1	169.8	165.3	-1.8	111.9	I54 S61 D62	I54-R58 VanDerWaalsContact O-CB 3.26Å; I54-R58 WeakPolarHBondContact O-CB 3.33Å; I54-R58 WeakPolarHBondContact O-CG 3.48Å; I54-R58 PolarHBondContact O-N 3.11Å; R58-S61 CarbonylContact O-C 3.5Å; R58-S61 PolarHBondContact O-N 2.63Å; R58-D62 VanDerWaalsContact O-CB 3.28Å; R58-D62 WeakPolarHBondContact O-CB 3.35Å; R58-D62 VanDerWaalsContact O-CG 3.23Å; R58-D62 PolarHBondContact O-N 2.98Å
59	H	37.8	Very low	37.8	Very low	122 Å²	122	81.7 Å²	81.7	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-67.8	-37.6	179.8	-172.7	64.9	0	0	0	111.7	Q55 F56 D62 V63	Q55-H59 WeakPolarHBondContact O-CA 3.46Å; Q55-H59 WeakPolarHBondContact O-CB 3.41Å; Q55-H59 PolarHBondContact O-N 2.93Å; F56-H59 PolarHBondContact O-N 3.26Å; H59-D62 PolarHBondContact O-N 3.06Å; H59-V63 WeakPolarHBondContact O-CB 3.16Å; H59-V63 WeakPolarHBondContact O-CG2 3.45Å; H59-V63 PolarHBondContact O-N 2.93Å
60	A	42.1	Very low	38.2	Very low	31 Å²	31	81.1 Å²	81.1	26%	0.256	42%	0.423	S	S	.	.	H	α-helix	trans	-67	-40.2	170.9	0	0	0	0	0	111.5	F56 T57 L64	F56-A60 WeakPolarHBondContact O-CB 3.31Å; F56-A60 PolarHBondContact O-N 3.03Å; T57-A60 PolarHBondContact O-N 3.23Å; A60-L64 WeakPolarHBondContact O-CB 3.11Å; A60-L64 WeakPolarHBondContact O-CD1 3.47Å; A60-L64 WeakPolarHBondContact O-CG 3.15Å; A60-L64 PolarHBondContact O-N 3.3Å
61	S	42.5	Very low	38.5	Very low	54 Å²	54	84.1 Å²	84.1	38%	0.378	42%	0.421	S	S	.	.	H	α-helix	trans	-65.7	-41	172.7	-68.7	0	0	0	0	112.3	T57 R58 L64 L65	T57-S61 VanDerWaalsContact O-CB 3.26Å; T57-S61 WeakPolarHBondContact O-CB 3.19Å; T57-S61 PolarHBondContact O-N 2.95Å; T57-S61 PolarHBondContact O-OG 3.07Å; R58-S61 CarbonylContact O-C 3.5Å; R58-S61 PolarHBondContact O-N 2.63Å; S61-L64 PolarHBondContact O-N 3.03Å; S61-L65 WeakPolarHBondContact O-CB 3.23Å; S61-L65 WeakPolarHBondContact O-CD1 3.46Å; S61-L65 WeakPolarHBondContact O-CG 3.22Å; S61-L65 PolarHBondContact O-N 3.2Å
62	D	42	Very low	39.1	Very low	84 Å²	84	85.3 Å²	85.3	45%	0.449	44%	0.435	S	S	.	.	H	α-helix	trans	-71.8	-36.9	178	-74.2	-32.7	0	0	0	111	R58 H59 N66	R58-D62 VanDerWaalsContact O-CB 3.28Å; R58-D62 WeakPolarHBondContact O-CB 3.35Å; R58-D62 VanDerWaalsContact O-CG 3.23Å; R58-D62 PolarHBondContact O-N 2.98Å; H59-D62 PolarHBondContact O-N 3.06Å; D62-N66 WeakPolarHBondContact O-CB 3.39Å; D62-N66 PolarHBondContact O-N 3.14Å; D62-N66 PolarHBondContact O-ND2 3.28Å
63	V	44.4	Very low	39.2	Very low	62 Å²	62	90.9 Å²	90.9	38%	0.376	45%	0.446	S	S	.	.	H	α-helix	trans	-65.9	-47.2	170.2	166.3	0	0	0	0	109.6	H59 L65 N66 L67	H59-V63 WeakPolarHBondContact O-CB 3.16Å; H59-V63 WeakPolarHBondContact O-CG2 3.45Å; H59-V63 PolarHBondContact O-N 2.93Å; V63-L65 PolarHBondContact O-N 3.5Å; V63-N66 PolarHBondContact O-N 3.3Å; V63-L67 HydrophobicContact CG1-CD1 3.8Å; V63-L67 HydrophobicContact CG1-CG 4.26Å; V63-L67 WeakPolarHBondContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CG 3.34Å; V63-L67 PolarHBondContact O-N 3.38Å
64	L	44.4	Very low	39.6	Very low	69 Å²	69	95.4 Å²	95.4	36%	0.361	47%	0.467	S	S	.	.	H	α-helix	trans	-65.6	-35.9	176.8	-72.6	167.8	0	0	0	112.6	A60 S61 N68 I81	A60-L64 WeakPolarHBondContact O-CB 3.11Å; A60-L64 WeakPolarHBondContact O-CD1 3.47Å; A60-L64 WeakPolarHBondContact O-CG 3.15Å; A60-L64 PolarHBondContact O-N 3.3Å; S61-L64 PolarHBondContact O-N 3.03Å; L64-N68 VanDerWaalsContact O-CB 3.23Å; L64-N68 WeakPolarHBondContact O-CB 3.39Å; L64-N68 PolarHBondContact O-N 2.93Å; L64-I81 HydrophobicContact CD2-CD1 4.36Å
65	L	44.8	Very low	40	Very low	94 Å²	94	96.7 Å²	96.7	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-73.6	-37	175.9	-75.5	167.2	0	0	0	111.9	S61 V63 N68 R69	S61-L65 WeakPolarHBondContact O-CB 3.23Å; S61-L65 WeakPolarHBondContact O-CD1 3.46Å; S61-L65 WeakPolarHBondContact O-CG 3.22Å; S61-L65 PolarHBondContact O-N 3.2Å; V63-L65 PolarHBondContact O-N 3.5Å; L65-N68 PolarHBondContact O-N 2.87Å; L65-R69 WeakPolarHBondContact O-CB 3.5Å; L65-R69 WeakPolarHBondContact O-CG 3.35Å; L65-R69 PolarHBondContact O-N 2.84Å
66	N	39.9	Very low	39.9	Very low	79 Å²	79	94.9 Å²	94.9	42%	0.422	47%	0.467	S	S	.	.	H	α-helix	trans	-71.9	-38.5	172.5	-74.1	-46.6	0	0	0	111.4	D62 V63 N68 R69 L70	D62-N66 WeakPolarHBondContact O-CB 3.39Å; D62-N66 PolarHBondContact O-N 3.14Å; D62-N66 PolarHBondContact O-ND2 3.28Å; V63-N66 PolarHBondContact O-N 3.3Å; N66-N68 VanDerWaalsContact C-N 3.3Å; N66-N68 PolarHBondContact O-N 3.01Å; N66-R69 CarbonylContact O-C 3.19Å; N66-R69 PolarHBondContact O-N 2.85Å; N66-L70 WeakPolarHBondContact O-CB 3.07Å; N66-L70 WeakPolarHBondContact O-CD1 3.34Å; N66-L70 WeakPolarHBondContact O-CG 3.46Å; N66-L70 PolarHBondContact O-N 3.49Å
67	L	40.5	Very low	40	Very low	43 Å²	43	95.8 Å²	95.8	23%	0.225	48%	0.481	C	S	.	.	H	α-helix	trans	-60.8	-39	168.9	-74	174	0	0	0	111.2	V63 L70 R71 L76 V79	V63-L67 HydrophobicContact CG1-CD1 3.8Å; V63-L67 HydrophobicContact CG1-CG 4.26Å; V63-L67 WeakPolarHBondContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CG 3.34Å; V63-L67 PolarHBondContact O-N 3.38Å; L67-L70 PolarHBondContact O-N 3.2Å; L67-R71 VanDerWaalsContact O-CB 3.25Å; L67-R71 WeakPolarHBondContact O-CB 3.25Å; L67-R71 PolarHBondContact O-N 3.15Å; L67-L76 HydrophobicContact CD2-CD1 3.59Å; L67-V79 HydrophobicContact CD1-CG1 4.1Å; L67-V79 HydrophobicContact CD2-CG1 4.48Å; L67-V79 HydrophobicContact CD2-CG2 3.94Å
68	N	38.8	Very low	39.9	Very low	59 Å²	59	100 Å²	100	32%	0.316	50%	0.501	S	S	.	.	H	α-helix	trans	-69.3	-34.4	174.6	-158	13.2	0	0	0	112	L64 L65 N66 R71 S72	L64-N68 VanDerWaalsContact O-CB 3.23Å; L64-N68 WeakPolarHBondContact O-CB 3.39Å; L64-N68 PolarHBondContact O-N 2.93Å; L65-N68 PolarHBondContact O-N 2.87Å; N66-N68 VanDerWaalsContact C-N 3.3Å; N66-N68 PolarHBondContact O-N 3.01Å; N68-R71 PolarHBondContact OD1-NE 2.81Å; N68-R71 VanDerWaalsContact OD1-NE 3.17Å; N68-R71 PolarHBondContact OD1-NH2 3.21Å; N68-S72 PolarHBondContact O-N 3.3Å; N68-S72 PolarHBondContact O-OG 2.98Å
69	R	40.4	Very low	39.6	Very low	166 Å²	166	95.4 Å²	95.4	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-72.6	-24.2	171.6	-77.9	172.9	164.2	171.2	-3.4	114.4	L65 N66 S72 R73	L65-R69 WeakPolarHBondContact O-CB 3.5Å; L65-R69 WeakPolarHBondContact O-CG 3.35Å; L65-R69 PolarHBondContact O-N 2.84Å; N66-R69 CarbonylContact O-C 3.19Å; N66-R69 PolarHBondContact O-N 2.85Å; R69-S72 WeakPolarHBondContact CA-OG 3.49Å; R69-S72 PolarHBondContact O-OG 2.83Å; R69-S72 VanDerWaalsContact O-OG 3.05Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å
70	L	36.3	Very low	39.5	Very low	58 Å²	58	96.1 Å²	96.1	30%	0.304	51%	0.506	S	S	.	.	H	α-helix	trans	-86.5	-31.3	173.9	-70.6	164.1	0	0	0	111	N66 L67 R73 D74 I75 L76	N66-L70 WeakPolarHBondContact O-CB 3.07Å; N66-L70 WeakPolarHBondContact O-CD1 3.34Å; N66-L70 WeakPolarHBondContact O-CG 3.46Å; N66-L70 PolarHBondContact O-N 3.49Å; L67-L70 PolarHBondContact O-N 3.2Å; L70-R73 CarbonylContact O-C 3.54Å; L70-R73 PolarHBondContact O-N 3.42Å; L70-D74 PolarHBondContact O-N 3.46Å; L70-I75 HydrophobicContact CD2-CG2 4.26Å; L70-I75 PolarHBondContact O-N 3.45Å; L70-L76 HydrophobicContact CB-CD1 4.08Å; L70-L76 HydrophobicContact CD1-CD1 3.75Å; L70-L76 HydrophobicContact CG-CD1 4.49Å
71	R	36.4	Very low	39.1	Very low	123 Å²	123	100.1 Å²	100.1	46%	0.464	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-40.4	166	-175.7	175.1	72.1	155	2	111.2	L67 N68 R73 D74	L67-R71 VanDerWaalsContact O-CB 3.25Å; L67-R71 WeakPolarHBondContact O-CB 3.25Å; L67-R71 PolarHBondContact O-N 3.15Å; N68-R71 PolarHBondContact OD1-NE 2.81Å; N68-R71 VanDerWaalsContact OD1-NE 3.17Å; N68-R71 PolarHBondContact OD1-NH2 3.21Å; R71-R73 PolarHBondContact O-N 3.21Å; R71-D74 PolarHBondContact O-N 3.45Å
72	S	40.7	Very low	38.5	Very low	91 Å²	91	105.8 Å²	105.8	64%	0.636	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	18.9	172	72.3	0	0	0	0	114.2	N68 R69	N68-S72 PolarHBondContact O-N 3.3Å; N68-S72 PolarHBondContact O-OG 2.98Å; R69-S72 WeakPolarHBondContact CA-OG 3.49Å; R69-S72 PolarHBondContact O-OG 2.83Å; R69-S72 VanDerWaalsContact O-OG 3.05Å
73	R	38.2	Very low	38.1	Very low	181 Å²	181	105.6 Å²	105.6	68%	0.683	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	7.7	178.2	-71.3	-177.6	169.1	168.3	-4.5	112.9	R69 L70 R71 I75	R69-R73 WeakPolarHBondContact O-CG 3.49Å; L70-R73 CarbonylContact O-C 3.54Å; L70-R73 PolarHBondContact O-N 3.42Å; R71-R73 PolarHBondContact O-N 3.21Å; R73-I75 VanDerWaalsContact C-N 3.25Å; R73-I75 HydrophobicContact CB-CD1 4Å; R73-I75 WeakPolarHBondContact O-CG1 3.49Å; R73-I75 PolarHBondContact O-N 2.72Å; R73-I75 VanDerWaalsContact O-N 3.16Å
74	D	40.3	Very low	37.3	Very low	154 Å²	154	107 Å²	107	82%	0.824	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.6	28.7	177.1	-55.5	-43.8	0	0	0	116.3	L70 R71	L70-D74 PolarHBondContact O-N 3.46Å; R71-D74 PolarHBondContact O-N 3.45Å
75	I	44.9	Very low	36.8	Very low	114 Å²	114	111.5 Å²	111.5	59%	0.585	57%	0.566	S	S	*	*			trans	-98	-13.6	-173.8	-76.5	159.8	0	0	0	114.2	L70 R73	L70-I75 HydrophobicContact CD2-CG2 4.26Å; L70-I75 PolarHBondContact O-N 3.45Å; R73-I75 VanDerWaalsContact C-N 3.25Å; R73-I75 HydrophobicContact CB-CD1 4Å; R73-I75 WeakPolarHBondContact O-CG1 3.49Å; R73-I75 PolarHBondContact O-N 2.72Å; R73-I75 VanDerWaalsContact O-N 3.16Å
76	L	32.5	Very low	36.2	Very low	82 Å²	82	114.9 Å²	114.9	43%	0.429	58%	0.579	S	S	.	*			trans	-134.8	114.5	179.6	-73.5	174.8	0	0	0	111.8	L67 L70 V79	L67-L76 HydrophobicContact CD2-CD1 3.59Å; L70-L76 HydrophobicContact CB-CD1 4.08Å; L70-L76 HydrophobicContact CD1-CD1 3.75Å; L70-L76 HydrophobicContact CG-CD1 4.49Å; L76-V79 HydrophobicContact CD1-CG2 4.49Å
77	T	36.7	Very low	36	Very low	123 Å²	123	115.3 Å²	115.3	76%	0.755	58%	0.579	S	S	*	*			trans	-91.6	-33.5	175.6	48.6	0	0	0	0	113.4
78	D	34.1	Very low	35.9	Very low	137 Å²	137	118.6 Å²	118.6	73%	0.733	59%	0.591	S	S	*	*			trans	-127.5	110.8	-166.3	-64.2	-84.4	0	0	0	112.1
79	V	32.9	Very low	35.8	Very low	78 Å²	78	125.2 Å²	125.2	47%	0.473	61%	0.612	S	S	.	*			trans	-140.6	100.1	174.8	-177.1	0	0	0	0	110.2	L67 L76 I81	L67-V79 HydrophobicContact CD1-CG1 4.1Å; L67-V79 HydrophobicContact CD2-CG1 4.48Å; L67-V79 HydrophobicContact CD2-CG2 3.94Å; L76-V79 HydrophobicContact CD1-CG2 4.49Å; V79-I81 HydrophobicContact CG1-CG1 4.2Å
80	T	35.7	Very low	35.5	Very low	136 Å²	136	120.6 Å²	120.6	83%	0.834	61%	0.61	S	S	*	*			trans	-90.8	110.8	177.7	37.4	0	0	0	0	111.6	L82	T80-L82 PolarHBondContact O-N 2.79Å
81	I	33.7	Very low	35.9	Very low	116 Å²	116	119.9 Å²	119.9	60%	0.595	61%	0.605	S	S	*	*			trans	-93.8	98.4	-177.5	-51.5	-179.2	0	0	0	110.6	L64 V79 V83	L64-I81 HydrophobicContact CD2-CD1 4.36Å; V79-I81 HydrophobicContact CG1-CG1 4.2Å; I81-V83 HydrophobicContact CG2-CG2 3.9Å; I81-V83 PolarHBondContact O-N 2.8Å
82	L	31.8	Very low	36	Very low	173 Å²	173	119.7 Å²	119.7	91%	0.906	61%	0.607	S	S	*	*			trans	-82.6	104.9	174.7	-77.7	162.5	0	0	0	111.5	T80	T80-L82 PolarHBondContact O-N 2.79Å
83	V	32.9	Very low	36	Very low	79 Å²	79	120.7 Å²	120.7	48%	0.479	61%	0.609	S	S	.	*			trans	-101.9	134.3	177.7	-173.7	0	0	0	0	111.2	I81 Q87 F88	I81-V83 HydrophobicContact CG2-CG2 3.9Å; I81-V83 PolarHBondContact O-N 2.8Å; V83-Q87 HydrophobicContact CG1-CB 4.14Å; V83-F88 HydrophobicContact CG1-CB 4.41Å; V83-F88 HydrophobicContact CG1-CD2 4.33Å
84	N	27.8	Very low	36.1	Very low	92 Å²	92	114.6 Å²	114.6	49%	0.492	59%	0.593	S	S	.	*			trans	-70.8	138.2	-178.5	-172.5	-38.9	0	0	0	112.3	Q86 Q87 F88	N84-Q86 PolarHBondContact O-N 3.38Å; N84-Q86 PolarHBondContact OD1-N 3.39Å; N84-Q87 HydrophobicContact CB-CB 4.42Å; N84-Q87 HydrophobicContact CB-CG 4.28Å; N84-Q87 VanDerWaalsContact CB-OE1 3.31Å; N84-Q87 PolarHBondContact O-N 2.76Å; N84-F88 PolarHBondContact O-N 3.29Å
85	R	34	Very low	36.3	Very low	164 Å²	164	109.5 Å²	109.5	62%	0.619	57%	0.565	S	S	*	*	H	α-helix	trans	-51.2	-23.4	177.1	-178.5	168.8	166.3	132.5	-1.9	114.3	E126	R85-E126 IonicContact CZ-OE2 3.69Å; R85-E126 VanDerWaalsContact CZ-OE2 3.25Å; R85-E126 IonicContact NH1-OE2 3.39Å; R85-E126 PolarHBondContact NH1-OE2 3.38Å; R85-E126 IonicContact NH2-OE1 3.83Å; R85-E126 PolarHBondContact NH2-OE1 2.98Å; R85-E126 IonicContact NH2-OE2 2.64Å; R85-E126 PolarHBondContact NH2-OE2 2.68Å
86	Q	32.5	Very low	36.2	Very low	164 Å²	164	108.9 Å²	108.9	77%	0.766	56%	0.561	S	S	*	*	H	α-helix	trans	-85	-34.6	171.8	-68.9	-172.3	-7.7	0	0	114.2	N84	N84-Q86 PolarHBondContact O-N 3.38Å; N84-Q86 PolarHBondContact OD1-N 3.39Å
87	Q	34.5	Very low	36.4	Very low	88 Å²	88	109 Å²	109	41%	0.411	57%	0.573	S	S	.	*	H	α-helix	trans	-72.8	-39.6	178.6	-71.6	169.3	-38.7	0	0	111.5	V83 N84 R89 A90 H91	V83-Q87 HydrophobicContact CG1-CB 4.14Å; N84-Q87 HydrophobicContact CB-CB 4.42Å; N84-Q87 HydrophobicContact CB-CG 4.28Å; N84-Q87 VanDerWaalsContact CB-OE1 3.31Å; N84-Q87 PolarHBondContact O-N 2.76Å; Q87-R89 PolarHBondContact O-N 3.46Å; Q87-A90 WeakPolarHBondContact O-CB 3.44Å; Q87-A90 PolarHBondContact O-N 2.98Å; Q87-H91 PolarHBondContact O-CD2 3.25Å; Q87-H91 PolarHBondContact O-N 3.28Å
88	F	38.6	Very low	36.5	Very low	112 Å²	112	104.8 Å²	104.8	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-56.3	-38.4	179.6	-159.1	-90.2	0	0	0	112.5	V83 N84 H91 L95	V83-F88 HydrophobicContact CG1-CB 4.41Å; V83-F88 HydrophobicContact CG1-CD2 4.33Å; N84-F88 PolarHBondContact O-N 3.29Å; F88-H91 PolarHBondContact O-N 3.47Å; F88-L95 HydrophobicContact CD1-CD1 4.05Å; F88-L95 HydrophobicContact CD2-CD1 3.85Å; F88-L95 HydrophobicContact CE1-CD1 3.84Å; F88-L95 HydrophobicContact CE2-CD1 3.63Å; F88-L95 HydrophobicContact CE2-CD2 4.14Å; F88-L95 HydrophobicContact CG-CD1 4.06Å; F88-L95 HydrophobicContact CZ-CD1 3.63Å
89	R	35.9	Very low	36.8	Very low	198 Å²	198	101.8 Å²	101.8	75%	0.747	54%	0.538	S	S	*	.	H	α-helix	trans	-70.8	-26.1	175.7	-72.4	-173.7	173	-170.8	-3	114	Q87	Q87-R89 PolarHBondContact O-N 3.46Å
90	A	34.9	Very low	37.1	Very low	70 Å²	70	100.5 Å²	100.5	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-78.5	-20.9	177.9	0	0	0	0	0	113	Q87	Q87-A90 WeakPolarHBondContact O-CB 3.44Å; Q87-A90 PolarHBondContact O-N 2.98Å
91	H	44.2	Very low	37.2	Very low	42 Å²	42	97.1 Å²	97.1	19%	0.194	52%	0.518	C	S	.	.			trans	-117.3	26.1	-169.7	-62.5	-63.9	0	0	0	114.3	Q87 F88 T93 V94 L95	Q87-H91 PolarHBondContact O-CD2 3.25Å; Q87-H91 PolarHBondContact O-N 3.28Å; F88-H91 PolarHBondContact O-N 3.47Å; H91-T93 PolarHBondContact O-N 2.84Å; H91-T93 VanDerWaalsContact O-N 3.16Å; H91-V94 HydrophobicContact CB-CB 4.28Å; H91-V94 HydrophobicContact CB-CG2 4.37Å; H91-V94 PolarHBondContact O-N 2.92Å; H91-L95 PolarHBondContact O-N 3.24Å
92	K	40.1	Very low	37.4	Very low	119 Å²	119	95.3 Å²	95.3	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-51.7	-38.5	176.7	-173.9	165.9	-175.8	167.4	0	112.4	M96 E133	K92-M96 WeakPolarHBondContact O-CG 3.32Å; K92-M96 PolarHBondContact O-N 3.03Å; K92-M96 VanDerWaalsContact O-N 3.07Å; K92-E133 IonicContact NZ-OE1 2.77Å; K92-E133 PolarHBondContact NZ-OE1 3.07Å
93	T	40.3	Very low	37.5	Very low	112 Å²	112	92.1 Å²	92.1	69%	0.687	48%	0.482	S	S	*	.	H	α-helix	trans	-67.2	-40.8	175.9	42.9	0	0	0	0	113.8	H91 M96 A97	H91-T93 PolarHBondContact O-N 2.84Å; H91-T93 VanDerWaalsContact O-N 3.16Å; T93-M96 PolarHBondContact O-N 2.75Å; T93-A97 PolarHBondContact O-N 3.08Å
94	V	39.4	Very low	37.6	Very low	54 Å²	54	91 Å²	91	33%	0.327	48%	0.476	S	S	.	.	H	α-helix	trans	-68.9	-40.9	178.2	-175.4	0	0	0	0	110.6	H91 M96 A97 C98	H91-V94 HydrophobicContact CB-CB 4.28Å; H91-V94 HydrophobicContact CB-CG2 4.37Å; H91-V94 PolarHBondContact O-N 2.92Å; V94-M96 PolarHBondContact O-N 3.33Å; V94-A97 PolarHBondContact O-N 2.96Å; V94-C98 PolarHBondContact O-N 2.87Å; V94-C98 PolarHBondContact O-SG 3.34Å
95	L	44	Very low	38.1	Very low	47 Å²	47	90.5 Å²	90.5	25%	0.246	47%	0.472	C	S	.	.	H	α-helix	trans	-62.4	-42.1	175.6	-70.7	163.1	0	0	0	111.9	F88 H91 C98 S99 F102	F88-L95 HydrophobicContact CD1-CD1 4.05Å; F88-L95 HydrophobicContact CD2-CD1 3.85Å; F88-L95 HydrophobicContact CE1-CD1 3.84Å; F88-L95 HydrophobicContact CE2-CD1 3.63Å; F88-L95 HydrophobicContact CE2-CD2 4.14Å; F88-L95 HydrophobicContact CG-CD1 4.06Å; F88-L95 HydrophobicContact CZ-CD1 3.63Å; H91-L95 PolarHBondContact O-N 3.24Å; L95-C98 PolarHBondContact O-N 2.84Å; L95-S99 PolarHBondContact O-N 2.97Å; L95-F102 HydrophobicContact CD2-CE2 3.81Å; L95-F102 HydrophobicContact CD2-CZ 3.82Å
96	M	42.9	Very low	38.1	Very low	101 Å²	101	87.5 Å²	87.5	50%	0.498	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-39.7	174	-69.7	-67.5	-72.3	0	0	112.3	K92 T93 V94 C98 S99	K92-M96 WeakPolarHBondContact O-CG 3.32Å; K92-M96 PolarHBondContact O-N 3.03Å; K92-M96 VanDerWaalsContact O-N 3.07Å; T93-M96 PolarHBondContact O-N 2.75Å; V94-M96 PolarHBondContact O-N 3.33Å; M96-C98 VanDerWaalsContact C-N 3.32Å; M96-C98 PolarHBondContact O-N 3.13Å; M96-S99 VanDerWaalsContact O-CB 3.23Å; M96-S99 WeakPolarHBondContact O-CB 3.44Å; M96-S99 PolarHBondContact O-N 3.35Å; M96-S99 PolarHBondContact O-OG 3.28Å
97	A	38	Very low	38.1	Very low	84 Å²	84	82.8 Å²	82.8	69%	0.694	45%	0.446	S	S	*	.	H	α-helix	trans	-66	-31.9	175.4	0	0	0	0	0	112.9	T93 V94 S99	T93-A97 PolarHBondContact O-N 3.08Å; V94-A97 PolarHBondContact O-N 2.96Å; A97-S99 VanDerWaalsContact C-N 3.31Å; A97-S99 PolarHBondContact O-N 3.48Å
98	C	38.5	Very low	38.1	Very low	34 Å²	34	80.9 Å²	80.9	23%	0.23	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	6.4	176.5	-68.1	0	0	0	0	114.6	V94 L95 M96 G100 L101 F102	V94-C98 PolarHBondContact O-N 2.87Å; V94-C98 PolarHBondContact O-SG 3.34Å; L95-C98 PolarHBondContact O-N 2.84Å; M96-C98 VanDerWaalsContact C-N 3.32Å; M96-C98 PolarHBondContact O-N 3.13Å; C98-G100 VanDerWaalsContact C-N 3.26Å; C98-G100 PolarHBondContact O-N 2.9Å; C98-G100 VanDerWaalsContact O-N 3.12Å; C98-L101 PolarHBondContact O-N 2.89Å; C98-F102 HydrophobicContact CB-CD2 4.11Å; C98-F102 HydrophobicContact CB-CE2 4.06Å; C98-F102 PolarHBondContact O-N 3.27Å
99	S	40.9	Very low	37.9	Very low	74 Å²	74	79.7 Å²	79.7	52%	0.517	45%	0.445	S	S	.	.	H	α-helix	trans	-50.4	-38.3	-175.4	47.9	0	0	0	0	114.5	L95 M96 A97 L101 F102 Y103	L95-S99 PolarHBondContact O-N 2.97Å; M96-S99 VanDerWaalsContact O-CB 3.23Å; M96-S99 WeakPolarHBondContact O-CB 3.44Å; M96-S99 PolarHBondContact O-N 3.35Å; M96-S99 PolarHBondContact O-OG 3.28Å; A97-S99 VanDerWaalsContact C-N 3.31Å; A97-S99 PolarHBondContact O-N 3.48Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.33Å; S99-F102 PolarHBondContact O-N 3.3Å; S99-Y103 PolarHBondContact O-N 3.43Å
100	G	38.8	Very low	38	Very low	52 Å²	52	78.4 Å²	78.4	54%	0.536	45%	0.447	S	S	.	.	H	α-helix	trans	-65.1	-29.4	176	0	0	0	0	0	115.1	C98	C98-G100 VanDerWaalsContact C-N 3.26Å; C98-G100 PolarHBondContact O-N 2.9Å; C98-G100 VanDerWaalsContact O-N 3.12Å
101	L	38.2	Very low	38.2	Very low	65 Å²	65	82.1 Å²	82.1	34%	0.34	45%	0.45	S	S	.	.	H	α-helix	trans	-76.5	-43.3	172.9	-81.1	165.9	0	0	0	111	C98 S99 Y103 T104 I105	C98-L101 PolarHBondContact O-N 2.89Å; S99-L101 VanDerWaalsContact C-N 3.35Å; S99-L101 PolarHBondContact O-N 3.33Å; L101-Y103 VanDerWaalsContact C-N 3.25Å; L101-Y103 PolarHBondContact O-N 3.17Å; L101-T104 PolarHBondContact O-N 2.68Å; L101-T104 VanDerWaalsContact O-N 3.13Å; L101-T104 PolarHBondContact O-OG1 3.17Å; L101-I105 PolarHBondContact O-N 3.08Å
102	F	36.2	Very low	37.7	Very low	78 Å²	78	81.9 Å²	81.9	34%	0.342	45%	0.452	S	S	.	.	H	α-helix	trans	-59.5	-35.7	174.5	-80.5	-75.9	0	0	0	112.5	L95 C98 S99 T104 I105 F106	L95-F102 HydrophobicContact CD2-CE2 3.81Å; L95-F102 HydrophobicContact CD2-CZ 3.82Å; C98-F102 HydrophobicContact CB-CD2 4.11Å; C98-F102 HydrophobicContact CB-CE2 4.06Å; C98-F102 PolarHBondContact O-N 3.27Å; S99-F102 PolarHBondContact O-N 3.3Å; F102-T104 PolarHBondContact O-N 3.08Å; F102-I105 PolarHBondContact O-N 3.28Å; F102-I105 VanDerWaalsContact O-N 3.11Å; F102-F106 HydrophobicContact CB-CD2 4.41Å; F102-F106 HydrophobicContact CD1-CE2 4.01Å; F102-F106 WeakPolarHBondContact O-CD2 3.33Å; F102-F106 PolarHBondContact O-N 3.4Å
103	Y	34.8	Very low	37.4	Very low	105 Å²	105	81.8 Å²	81.8	41%	0.412	46%	0.458	S	S	.	.	H	α-helix	trans	-53	-52.2	172.3	-167	-107	0	0	0	111.3	S99 L101 I105 F106 T107 L140	S99-Y103 PolarHBondContact O-N 3.43Å; L101-Y103 VanDerWaalsContact C-N 3.25Å; L101-Y103 PolarHBondContact O-N 3.17Å; Y103-I105 PolarHBondContact O-N 3.3Å; Y103-F106 PolarHBondContact O-N 3.08Å; Y103-T107 HydrophobicContact CD1-CG2 4.1Å; Y103-T107 HydrophobicContact CD2-CG2 4.36Å; Y103-T107 HydrophobicContact CE1-CG2 3.9Å; Y103-T107 HydrophobicContact CE2-CG2 4.17Å; Y103-T107 HydrophobicContact CG-CG2 4.34Å; Y103-T107 WeakPolarHBondContact O-CG2 3.27Å; Y103-T107 PolarHBondContact O-N 2.8Å; Y103-T107 PolarHBondContact O-OG1 3.45Å; Y103-L140 HydrophobicContact CD2-CD2 3.85Å; Y103-L140 HydrophobicContact CE2-CD2 4.02Å
104	T	35.7	Very low	37.2	Very low	57 Å²	57	80.2 Å²	80.2	35%	0.35	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-23.5	179.4	66.6	0	0	0	0	114.4	L101 F102	L101-T104 PolarHBondContact O-N 2.68Å; L101-T104 VanDerWaalsContact O-N 3.13Å; L101-T104 PolarHBondContact O-OG1 3.17Å; F102-T104 PolarHBondContact O-N 3.08Å
105	I	37.1	Very low	36.9	Very low	81 Å²	81	84.6 Å²	84.6	42%	0.415	47%	0.466	S	S	.	.	H	α-helix	trans	-79	-44.3	177.2	-67.6	167	0	0	0	110.3	L101 F102 Y103 C112	L101-I105 PolarHBondContact O-N 3.08Å; F102-I105 PolarHBondContact O-N 3.28Å; F102-I105 VanDerWaalsContact O-N 3.11Å; Y103-I105 PolarHBondContact O-N 3.3Å; I105-C112 VanDerWaalsContact CG2-SG 3.5Å; I105-C112 PolarHBondContact O-SG 2.83Å
106	F	33.7	Very low	36.6	Very low	100 Å²	100	86.7 Å²	86.7	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-81.2	-19.3	-179.2	-75.4	-68.4	0	0	0	114.8	F102 Y103 C112 L114	F102-F106 HydrophobicContact CB-CD2 4.41Å; F102-F106 HydrophobicContact CD1-CE2 4.01Å; F102-F106 WeakPolarHBondContact O-CD2 3.33Å; F102-F106 PolarHBondContact O-N 3.4Å; Y103-F106 PolarHBondContact O-N 3.08Å; F106-C112 HydrophobicContact CD1-CB 4.48Å; F106-L114 HydrophobicContact CD1-CD2 4.49Å; F106-L114 HydrophobicContact CE1-CD2 4.43Å
107	T	34.4	Very low	36.4	Very low	65 Å²	65	85.6 Å²	85.6	40%	0.399	49%	0.486	S	S	.	.	H	α-helix	trans	-79.3	-25.2	176.5	51.6	0	0	0	0	114	Y103 S109	Y103-T107 HydrophobicContact CD1-CG2 4.1Å; Y103-T107 HydrophobicContact CD2-CG2 4.36Å; Y103-T107 HydrophobicContact CE1-CG2 3.9Å; Y103-T107 HydrophobicContact CE2-CG2 4.17Å; Y103-T107 HydrophobicContact CG-CG2 4.34Å; Y103-T107 WeakPolarHBondContact O-CG2 3.27Å; Y103-T107 PolarHBondContact O-N 2.8Å; Y103-T107 PolarHBondContact O-OG1 3.45Å; T107-S109 PolarHBondContact O-N 3.01Å
108	D	33.2	Very low	36.5	Very low	48 Å²	48	84.1 Å²	84.1	26%	0.257	47%	0.47	S	S	.	.			trans	-80.1	101.7	-176.5	-171.1	-23.6	0	0	0	111.1	H110 K111 C112	D108-H110 PolarHBondContact O-N 3.36Å; D108-H110 PolarHBondContact OD1-N 3.35Å; D108-K111 HydrophobicContact CB-CB 4.28Å; D108-K111 PolarHBondContact O-N 2.85Å; D108-K111 IonicContact OD1-NZ 3.91Å; D108-K111 WeakPolarHBondContact OD2-CD 3.36Å; D108-K111 IonicContact OD2-NZ 2.63Å; D108-K111 PolarHBondContact OD2-NZ 2.85Å; D108-C112 PolarHBondContact O-N 3.48Å
109	S	35.2	Very low	36.7	Very low	87 Å²	87	85 Å²	85	61%	0.608	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.9	-176.5	48.8	0	0	0	0	114.7	T107	T107-S109 PolarHBondContact O-N 3.01Å
110	H	38	Very low	36.9	Very low	172 Å²	172	84.7 Å²	84.7	80%	0.796	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-3.2	175.2	-66.1	-80.5	0	0	0	113.4	D108	D108-H110 PolarHBondContact O-N 3.36Å; D108-H110 PolarHBondContact OD1-N 3.35Å
111	K	39.3	Very low	37.4	Very low	147 Å²	147	83.2 Å²	83.2	64%	0.639	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-17.2	-175.9	-61.2	-169.4	-174.6	67.4	0	115.6	D108	D108-K111 HydrophobicContact CB-CB 4.28Å; D108-K111 PolarHBondContact O-N 2.85Å; D108-K111 IonicContact OD1-NZ 3.91Å; D108-K111 WeakPolarHBondContact OD2-CD 3.36Å; D108-K111 IonicContact OD2-NZ 2.63Å; D108-K111 PolarHBondContact OD2-NZ 2.85Å
112	C	33.3	Very low	37.4	Very low	37 Å²	37	86.5 Å²	86.5	25%	0.25	46%	0.458	C	S	.	.			trans	-121.6	99	171.1	-85.9	0	0	0	0	112.5	I105 F106 D108 L114	I105-C112 VanDerWaalsContact CG2-SG 3.5Å; I105-C112 PolarHBondContact O-SG 2.83Å; F106-C112 HydrophobicContact CD1-CB 4.48Å; D108-C112 PolarHBondContact O-N 3.48Å; C112-L114 PolarHBondContact O-N 3.48Å; C112-L114 VanDerWaalsContact O-N 3.08Å
113	N	33.4	Very low	37.8	Very low	118 Å²	118	87.6 Å²	87.6	63%	0.631	47%	0.47	S	S	*	.			trans	-79.3	89.4	172	-169.5	-5	0	0	0	110.7	N115 A116	N113-N115 PolarHBondContact O-N 2.89Å; N113-N115 VanDerWaalsContact O-N 3.08Å; N113-N115 VanDerWaalsContact OD1-CB 3.25Å; N113-N115 WeakPolarHBondContact OD1-CB 3.46Å; N113-N115 VanDerWaalsContact OD1-CG 3.32Å; N113-N115 PolarHBondContact OD1-N 3.19Å; N113-A116 PolarHBondContact O-N 3.13Å
114	L	35.9	Very low	38.2	Very low	79 Å²	79	85.7 Å²	85.7	41%	0.414	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-58.4	-18.3	179.2	-81.3	164.2	0	0	0	113.9	F106 C112 A116 I117	F106-L114 HydrophobicContact CD1-CD2 4.49Å; F106-L114 HydrophobicContact CE1-CD2 4.43Å; C112-L114 PolarHBondContact O-N 3.48Å; C112-L114 VanDerWaalsContact O-N 3.08Å; L114-A116 PolarHBondContact O-N 3.42Å; L114-I117 HydrophobicContact CD2-CD1 4.28Å; L114-I117 PolarHBondContact O-N 3.12Å
115	N	34.3	Very low	38.7	Very low	145 Å²	145	86.9 Å²	86.9	78%	0.775	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-64.5	-10.9	176.8	-54.4	-8.4	0	0	0	113.1	N113 I117	N113-N115 PolarHBondContact O-N 2.89Å; N113-N115 VanDerWaalsContact O-N 3.08Å; N113-N115 VanDerWaalsContact OD1-CB 3.25Å; N113-N115 WeakPolarHBondContact OD1-CB 3.46Å; N113-N115 VanDerWaalsContact OD1-CG 3.32Å; N113-N115 PolarHBondContact OD1-N 3.19Å; N115-I117 VanDerWaalsContact C-N 3.31Å
116	A	37.7	Very low	39	Very low	91 Å²	91	87.8 Å²	87.8	75%	0.752	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-76.5	-14.9	170.8	0	0	0	0	0	113.7	N113 L114	N113-A116 PolarHBondContact O-N 3.13Å; L114-A116 PolarHBondContact O-N 3.42Å
117	I	37.8	Very low	39.6	Very low	78 Å²	78	83.9 Å²	83.9	40%	0.4	47%	0.466	S	S	.	.	S	Bend	trans	-95.7	113.3	170.7	-57.4	179.4	0	0	0	107.4	L114 N115 L119	L114-I117 HydrophobicContact CD2-CD1 4.28Å; L114-I117 PolarHBondContact O-N 3.12Å; N115-I117 VanDerWaalsContact C-N 3.31Å; I117-L119 PolarHBondContact O-N 2.87Å
118	S	39.9	Very low	40.3	Very low	53 Å²	53	82 Å²	82	37%	0.371	45%	0.452	S	S	.	.			trans	-66.5	106.6	174.1	-175.4	0	0	0	0	109.7	D120	S118-D120 PolarHBondContact O-N 2.95Å
119	L	43.3	Very low	41	Very low	53 Å²	53	82.2 Å²	82.2	28%	0.277	46%	0.461	S	S	.	.			trans	-75.2	-0.3	174.1	-65.4	177.9	0	0	0	113	I117 P121 L131 L146	I117-L119 PolarHBondContact O-N 2.87Å; L119-P121 WeakPolarHBondContact O-CD 3.42Å; L119-L131 HydrophobicContact CD2-CD2 3.67Å; L119-L146 HydrophobicContact CD1-CD1 4.27Å
120	D	45.3	Very low	41.7	Very low	68 Å²	68	83.2 Å²	83.2	36%	0.364	46%	0.459	S	S	.	.			trans	-76	111.4	173.7	-173.8	-13.4	0	0	0	110.3	S118 K122 V123 D124	S118-D120 PolarHBondContact O-N 2.95Å; D120-K122 PolarHBondContact O-N 3.02Å; D120-K122 VanDerWaalsContact O-N 3.15Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.48Å; D120-K122 PolarHBondContact OD1-N 2.94Å; D120-V123 HydrophobicContact CB-CB 4.23Å; D120-V123 HydrophobicContact CB-CG2 3.97Å; D120-V123 PolarHBondContact O-N 3.32Å; D120-D124 PolarHBondContact O-N 3.43Å; D120-D124 VanDerWaalsContact O-N 3.09Å
121	P	47.8	Very low	42.3	Very low	21 Å²	21	76.7 Å²	76.7	14%	0.136	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.5	-178.8	29.9	-35.6	0	0	0	113.3	L119 P125 F128 T153 L157	L119-P121 WeakPolarHBondContact O-CD 3.42Å; P121-P125 WeakPolarHBondContact O-CB 3.4Å; P121-P125 WeakPolarHBondContact O-CD 3.28Å; P121-F128 HydrophobicContact CB-CB 4.33Å; P121-F128 HydrophobicContact CB-CD1 4Å; P121-F128 HydrophobicContact CB-CE1 4.45Å; P121-F128 HydrophobicContact CB-CG 4.05Å; P121-T153 HydrophobicContact CG-CG2 3.79Å; P121-L157 HydrophobicContact CB-CD1 4.1Å; P121-L157 HydrophobicContact CG-CD1 3.55Å; P121-L157 HydrophobicContact CG-CG 4.28Å
122	K	39.8	Very low	42.8	Very low	134 Å²	134	72.2 Å²	72.2	58%	0.583	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.9	169.6	-59.6	172.4	-178.7	171.9	0	112.4	D120 Y156	D120-K122 PolarHBondContact O-N 3.02Å; D120-K122 VanDerWaalsContact O-N 3.15Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.48Å; D120-K122 PolarHBondContact OD1-N 2.94Å; K122-Y156 PolarHBondContact NZ-OH 3.41Å
123	V	43.4	Very low	43.6	Very low	101 Å²	101	75.1 Å²	75.1	61%	0.612	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-46	-177.4	179.6	0	0	0	0	111.5	D120	D120-V123 HydrophobicContact CB-CB 4.23Å; D120-V123 HydrophobicContact CB-CG2 3.97Å; D120-V123 PolarHBondContact O-N 3.32Å
124	D	44	Very low	44.5	Very low	65 Å²	65	73.7 Å²	73.7	35%	0.348	41%	0.411	S	S	.	.			trans	-137.6	83.4	172.9	-170.7	4.5	0	0	0	113.1	D120 E126 G127 F128	D120-D124 PolarHBondContact O-N 3.43Å; D120-D124 VanDerWaalsContact O-N 3.09Å; D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 3.3Å; D124-E126 PolarHBondContact OD1-N 2.93Å; D124-E126 VanDerWaalsContact OD1-N 3.1Å; D124-G127 VanDerWaalsContact CG-N 3.27Å; D124-G127 PolarHBondContact O-N 3.21Å; D124-G127 PolarHBondContact OD1-N 3.22Å; D124-G127 PolarHBondContact OD2-N 3.01Å; D124-F128 PolarHBondContact O-N 3.49Å
125	P	45.4	Very low	45.1	Very low	81 Å²	81	72 Å²	72	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-69.3	-22	174.2	27.4	-33.8	0	0	0	113.5	P121 A129	P121-P125 WeakPolarHBondContact O-CB 3.4Å; P121-P125 WeakPolarHBondContact O-CD 3.28Å; P125-A129 VanDerWaalsContact O-CB 3.27Å; P125-A129 WeakPolarHBondContact O-CB 3.26Å; P125-A129 PolarHBondContact O-N 2.78Å; P125-A129 VanDerWaalsContact O-N 3.13Å
126	E	42.8	Very low	45.6	Very low	100 Å²	100	74.8 Å²	74.8	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-72.2	-43.3	174	-69.4	-164.5	148.2	0	0	109.8	R85 D124 A129 I130	R85-E126 IonicContact CZ-OE2 3.69Å; R85-E126 VanDerWaalsContact CZ-OE2 3.25Å; R85-E126 IonicContact NH1-OE2 3.39Å; R85-E126 PolarHBondContact NH1-OE2 3.38Å; R85-E126 IonicContact NH2-OE1 3.83Å; R85-E126 PolarHBondContact NH2-OE1 2.98Å; R85-E126 IonicContact NH2-OE2 2.64Å; R85-E126 PolarHBondContact NH2-OE2 2.68Å; D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 3.3Å; D124-E126 PolarHBondContact OD1-N 2.93Å; D124-E126 VanDerWaalsContact OD1-N 3.1Å; E126-A129 PolarHBondContact O-N 3.32Å; E126-I130 WeakPolarHBondContact O-CD1 3.14Å; E126-I130 VanDerWaalsContact O-CG1 3.25Å; E126-I130 WeakPolarHBondContact O-CG1 3.45Å; E126-I130 PolarHBondContact O-N 3.41Å
127	G	47.5	Very low	45.8	Very low	18 Å²	18	73.9 Å²	73.9	19%	0.186	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-46.1	174.4	0	0	0	0	0	113.4	D124 A129 I130 L131	D124-G127 VanDerWaalsContact CG-N 3.27Å; D124-G127 PolarHBondContact O-N 3.21Å; D124-G127 PolarHBondContact OD1-N 3.22Å; D124-G127 PolarHBondContact OD2-N 3.01Å; G127-A129 PolarHBondContact O-N 2.77Å; G127-I130 PolarHBondContact O-N 2.8Å; G127-L131 PolarHBondContact O-N 2.85Å
128	F	49.7	Very low	46	Very low	25 Å²	25	71.3 Å²	71.3	11%	0.11	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-41	176.7	-173.8	-103.5	0	0	0	112.4	P121 D124 L131 L132 T153	P121-F128 HydrophobicContact CB-CB 4.33Å; P121-F128 HydrophobicContact CB-CD1 4Å; P121-F128 HydrophobicContact CB-CE1 4.45Å; P121-F128 HydrophobicContact CB-CG 4.05Å; D124-F128 PolarHBondContact O-N 3.49Å; F128-L131 WeakPolarHBondContact O-CB 3.2Å; F128-L131 PolarHBondContact O-N 3.47Å; F128-L132 HydrophobicContact CD1-CD1 3.83Å; F128-L132 HydrophobicContact CE1-CD1 3.45Å; F128-L132 VanDerWaalsContact CE1-CD1 3.45Å; F128-L132 HydrophobicContact CE1-CG 4.42Å; F128-L132 HydrophobicContact CZ-CD1 4.04Å; F128-L132 PolarHBondContact O-N 2.98Å; F128-T153 HydrophobicContact CE2-CG2 4.06Å; F128-T153 HydrophobicContact CZ-CG2 4.08Å
129	A	48.2	Very low	46	Very low	54 Å²	54	80.9 Å²	80.9	45%	0.446	40%	0.404	S	S	.	.	H	α-helix	trans	-65.3	-37.6	175.1	0	0	0	0	0	112.7	P125 E126 G127 L132 E133	P125-A129 VanDerWaalsContact O-CB 3.27Å; P125-A129 WeakPolarHBondContact O-CB 3.26Å; P125-A129 PolarHBondContact O-N 2.78Å; P125-A129 VanDerWaalsContact O-N 3.13Å; E126-A129 PolarHBondContact O-N 3.32Å; G127-A129 PolarHBondContact O-N 2.77Å; A129-L132 PolarHBondContact O-N 3.47Å; A129-E133 PolarHBondContact O-N 3.43Å
130	I	49.3	Very low	45.9	Very low	107 Å²	107	81.1 Å²	81.1	55%	0.549	41%	0.405	S	S	.	.	H	α-helix	trans	-66.5	-37.5	174.5	-70.4	164.1	0	0	0	111.1	E126 G127 E133 F134	E126-I130 WeakPolarHBondContact O-CD1 3.14Å; E126-I130 VanDerWaalsContact O-CG1 3.25Å; E126-I130 WeakPolarHBondContact O-CG1 3.45Å; E126-I130 PolarHBondContact O-N 3.41Å; G127-I130 PolarHBondContact O-N 2.8Å; I130-E133 PolarHBondContact O-N 3.02Å; I130-F134 VanDerWaalsContact O-CB 3.25Å; I130-F134 WeakPolarHBondContact O-CB 3.19Å; I130-F134 PolarHBondContact O-N 2.67Å
131	L	50.5	Low	45.9	Very low	36 Å²	36	83.3 Å²	83.3	19%	0.188	42%	0.421	C	S	.	.	H	α-helix	trans	-62.5	-43.4	174.2	-163.1	81.5	0	0	0	111.3	L119 G127 F128 F134 M135 I150	L119-L131 HydrophobicContact CD2-CD2 3.67Å; G127-L131 PolarHBondContact O-N 2.85Å; F128-L131 WeakPolarHBondContact O-CB 3.2Å; F128-L131 PolarHBondContact O-N 3.47Å; L131-F134 PolarHBondContact O-N 3.38Å; L131-M135 HydrophobicContact CG-SD 4.5Å; L131-M135 WeakPolarHBondContact O-CG 3.15Å; L131-M135 PolarHBondContact O-N 2.9Å; L131-I150 HydrophobicContact CD2-CD1 3.78Å; L131-I150 HydrophobicContact CD2-CG1 4.5Å
132	L	50.3	Low	45.9	Very low	52 Å²	52	84.2 Å²	84.2	27%	0.272	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-44.8	175.3	-80.8	164.4	0	0	0	112.6	F128 A129 F134 M135 Y136 V162	F128-L132 HydrophobicContact CD1-CD1 3.83Å; F128-L132 HydrophobicContact CE1-CD1 3.45Å; F128-L132 VanDerWaalsContact CE1-CD1 3.45Å; F128-L132 HydrophobicContact CE1-CG 4.42Å; F128-L132 HydrophobicContact CZ-CD1 4.04Å; F128-L132 PolarHBondContact O-N 2.98Å; A129-L132 PolarHBondContact O-N 3.47Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.5Å; L132-M135 PolarHBondContact O-N 3.46Å; L132-Y136 VanDerWaalsContact O-CB 3.3Å; L132-Y136 WeakPolarHBondContact O-CB 3.19Å; L132-Y136 PolarHBondContact O-N 3.41Å; L132-V162 HydrophobicContact CD2-CG1 4.18Å
133	E	50.2	Low	46.5	Very low	98 Å²	98	84 Å²	84	46%	0.458	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-40.3	174.3	-166.2	-169.2	149.8	0	0	110.6	K92 A129 I130 Y136 T137	K92-E133 IonicContact NZ-OE1 2.77Å; K92-E133 PolarHBondContact NZ-OE1 3.07Å; A129-E133 PolarHBondContact O-N 3.43Å; I130-E133 PolarHBondContact O-N 3.02Å; E133-Y136 PolarHBondContact O-N 3.37Å; E133-T137 HydrophobicContact CG-CG2 4.4Å; E133-T137 WeakPolarHBondContact O-CB 3.34Å; E133-T137 WeakPolarHBondContact O-CG2 3.37Å; E133-T137 PolarHBondContact O-N 2.89Å; E133-T137 PolarHBondContact O-OG1 2.96Å
134	F	50.8	Low	46.9	Very low	89 Å²	89	85.7 Å²	85.7	39%	0.39	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-44.4	176.8	-177.8	-104.8	0	0	0	112.3	I130 L131 L132 T137 S138 L140	I130-F134 VanDerWaalsContact O-CB 3.25Å; I130-F134 WeakPolarHBondContact O-CB 3.19Å; I130-F134 PolarHBondContact O-N 2.67Å; L131-F134 PolarHBondContact O-N 3.38Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.5Å; F134-T137 PolarHBondContact O-N 3.28Å; F134-T137 PolarHBondContact O-OG1 3.04Å; F134-S138 WeakPolarHBondContact CD2-OG 3.37Å; F134-S138 WeakPolarHBondContact CE2-OG 3.21Å; F134-S138 WeakPolarHBondContact O-CA 3.25Å; F134-S138 WeakPolarHBondContact O-CB 3.45Å; F134-S138 PolarHBondContact O-N 2.95Å; F134-S138 PolarHBondContact O-OG 3.06Å; F134-L140 HydrophobicContact CE1-CD1 3.91Å; F134-L140 HydrophobicContact CZ-CD1 3.79Å
135	M	48.2	Very low	47.2	Very low	42 Å²	42	86.9 Å²	86.9	21%	0.207	44%	0.439	C	S	.	.	H	α-helix	trans	-65.5	-38.5	175.4	-74	175.7	40.8	0	0	112.9	L131 L132 L142 I150	L131-M135 HydrophobicContact CG-SD 4.5Å; L131-M135 WeakPolarHBondContact O-CG 3.15Å; L131-M135 PolarHBondContact O-N 2.9Å; L132-M135 PolarHBondContact O-N 3.46Å; M135-L142 HydrophobicContact CB-CD1 4.46Å; M135-L142 HydrophobicContact CE-CD1 3.56Å; M135-L142 HydrophobicContact CG-CD1 3.76Å; M135-L142 HydrophobicContact CG-CD2 4.31Å; M135-L142 HydrophobicContact SD-CD1 3.8Å; M135-I150 HydrophobicContact CE-CD1 3.97Å; M135-I150 HydrophobicContact SD-CD1 3.35Å; M135-I150 WeakPolarHBondContact SD-CD1 3.01Å
136	Y	46	Very low	47.5	Very low	205 Å²	205	85.1 Å²	85.1	80%	0.804	43%	0.425	S	S	*	.	H	α-helix	trans	-71.2	-33.6	179.4	-168.8	-93.3	0	0	0	112.3	L132 E133	L132-Y136 VanDerWaalsContact O-CB 3.3Å; L132-Y136 WeakPolarHBondContact O-CB 3.19Å; L132-Y136 PolarHBondContact O-N 3.41Å; E133-Y136 PolarHBondContact O-N 3.37Å
137	T	42	Very low	48.2	Very low	71 Å²	71	80.8 Å²	80.8	44%	0.436	40%	0.404	S	S	.	.	H	α-helix	trans	-90.1	-25.9	179.9	54.6	0	0	0	0	114.1	E133 F134	E133-T137 HydrophobicContact CG-CG2 4.4Å; E133-T137 WeakPolarHBondContact O-CB 3.34Å; E133-T137 WeakPolarHBondContact O-CG2 3.37Å; E133-T137 PolarHBondContact O-N 2.89Å; E133-T137 PolarHBondContact O-OG1 2.96Å; F134-T137 PolarHBondContact O-N 3.28Å; F134-T137 PolarHBondContact O-OG1 3.04Å
138	S	41.3	Very low	48.6	Very low	24 Å²	24	83.4 Å²	83.4	17%	0.168	41%	0.413	C	S	.	.			trans	-108	107.7	-175.6	-46	0	0	0	0	110.5	F134 L140	F134-S138 WeakPolarHBondContact CD2-OG 3.37Å; F134-S138 WeakPolarHBondContact CE2-OG 3.21Å; F134-S138 WeakPolarHBondContact O-CA 3.25Å; F134-S138 WeakPolarHBondContact O-CB 3.45Å; F134-S138 PolarHBondContact O-N 2.95Å; F134-S138 PolarHBondContact O-OG 3.06Å; S138-L140 PolarHBondContact O-N 3.18Å
139	R	41.2	Very low	48.7	Very low	255 Å²	255	84.4 Å²	84.4	96%	0.962	42%	0.423	S	S	*	.			trans	-70.2	61.8	175.4	-65.2	-175.9	176.3	-158.7	-3.4	112.1
140	L	40.6	Very low	49	Very low	58 Å²	58	82 Å²	82	30%	0.304	40%	0.402	S	S	.	.			trans	-100.2	140.1	-179.1	-57.6	-179.8	0	0	0	110.1	Y103 F134 S138 L142	Y103-L140 HydrophobicContact CD2-CD2 3.85Å; Y103-L140 HydrophobicContact CE2-CD2 4.02Å; F134-L140 HydrophobicContact CE1-CD1 3.91Å; F134-L140 HydrophobicContact CZ-CD1 3.79Å; S138-L140 PolarHBondContact O-N 3.18Å; L140-L142 VanDerWaalsContact C-N 3.31Å; L140-L142 PolarHBondContact O-N 3.08Å
141	T	44.3	Very low	49.4	Very low	113 Å²	113	77.4 Å²	77.4	69%	0.693	38%	0.379	S	S	*	.			trans	-72.7	86.7	171.8	50.2	0	0	0	0	109.5
142	L	49.4	Very low	49.4	Very low	41 Å²	41	80.1 Å²	80.1	22%	0.215	39%	0.394	C	S	.	.			trans	-62.2	141.5	174.5	-58.9	167.8	0	0	0	109.7	M135 L140 E144 L146 I147	M135-L142 HydrophobicContact CB-CD1 4.46Å; M135-L142 HydrophobicContact CE-CD1 3.56Å; M135-L142 HydrophobicContact CG-CD1 3.76Å; M135-L142 HydrophobicContact CG-CD2 4.31Å; M135-L142 HydrophobicContact SD-CD1 3.8Å; L140-L142 VanDerWaalsContact C-N 3.31Å; L140-L142 PolarHBondContact O-N 3.08Å; L142-E144 PolarHBondContact O-N 3.34Å; L142-L146 HydrophobicContact CD2-CD2 4.29Å; L142-I147 HydrophobicContact CB-CD1 4.06Å; L142-I147 HydrophobicContact CB-CG1 3.75Å; L142-I147 HydrophobicContact CD1-CG1 4.28Å
143	K	51	Low	49.4	Very low	129 Å²	129	79 Å²	79	56%	0.561	39%	0.389	S	S	*	.			trans	-64.1	135.8	172.6	-68	-179	-179.3	175	0	109.1	S145 L146 I147	K143-S145 PolarHBondContact O-N 3.1Å; K143-S145 VanDerWaalsContact O-N 3.14Å; K143-L146 WeakPolarHBondContact O-CB 3.26Å; K143-L146 PolarHBondContact O-N 3.03Å; K143-I147 PolarHBondContact O-N 3.36Å
144	E	51.5	Low	49.5	Very low	137 Å²	137	74.4 Å²	74.4	64%	0.64	37%	0.368	S	S	*	.	H	α-helix	trans	-52.2	-39.2	-174.9	-171	173.4	-163.7	0	0	112.9	L142 L146 I147 M148	L142-E144 PolarHBondContact O-N 3.34Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.08Å; E144-I147 PolarHBondContact O-N 3.04Å; E144-I147 VanDerWaalsContact O-N 3.15Å; E144-M148 HydrophobicContact CG-CG 4.44Å; E144-M148 WeakPolarHBondContact O-CB 3.43Å; E144-M148 WeakPolarHBondContact O-CG 3.33Å; E144-M148 PolarHBondContact O-N 3.47Å
145	S	50.3	Low	49.9	Very low	90 Å²	90	74.4 Å²	74.4	63%	0.629	37%	0.371	S	S	*	.	H	α-helix	trans	-58.8	-33.9	174.8	54.1	0	0	0	0	114.4	K143 S149	K143-S145 PolarHBondContact O-N 3.1Å; K143-S145 VanDerWaalsContact O-N 3.14Å; S145-S149 WeakPolarHBondContact O-CB 3.4Å; S145-S149 PolarHBondContact O-N 2.9Å
146	L	53.1	Low	49.9	Very low	44 Å²	44	80 Å²	80	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-75.5	-38.7	175.9	-176.9	61.6	0	0	0	111.1	L119 L142 K143 E144 S149 I150	L119-L146 HydrophobicContact CD1-CD1 4.27Å; L142-L146 HydrophobicContact CD2-CD2 4.29Å; K143-L146 WeakPolarHBondContact O-CB 3.26Å; K143-L146 PolarHBondContact O-N 3.03Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.08Å; L146-S149 PolarHBondContact O-N 3.45Å; L146-I150 HydrophobicContact CD1-CD1 4.19Å; L146-I150 HydrophobicContact CG-CD1 4.12Å; L146-I150 VanDerWaalsContact O-CG1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 2.93Å
147	I	57.2	Low	50	Low	8 Å²	8	73.3 Å²	73.3	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-47.2	174.6	-50.9	171.3	0	0	0	109.6	L142 K143 E144 S149 I150 M151 C166 F169 I170	L142-I147 HydrophobicContact CB-CD1 4.06Å; L142-I147 HydrophobicContact CB-CG1 3.75Å; L142-I147 HydrophobicContact CD1-CG1 4.28Å; K143-I147 PolarHBondContact O-N 3.36Å; E144-I147 PolarHBondContact O-N 3.04Å; E144-I147 VanDerWaalsContact O-N 3.15Å; I147-S149 VanDerWaalsContact C-N 3.35Å; I147-S149 PolarHBondContact O-N 3.21Å; I147-I150 PolarHBondContact O-N 3.19Å; I147-M151 VanDerWaalsContact O-CB 3.31Å; I147-M151 WeakPolarHBondContact O-CB 3.35Å; I147-M151 PolarHBondContact O-N 3.07Å; I147-C166 HydrophobicContact CG2-CB 4.18Å; I147-F169 HydrophobicContact CD1-CD1 3.78Å; I147-F169 HydrophobicContact CD1-CE1 3.81Å; I147-I170 HydrophobicContact CG2-CD1 3.89Å; I147-I170 HydrophobicContact CG2-CG1 3.93Å
148	M	54.8	Low	50.3	Low	73 Å²	73	77.5 Å²	77.5	36%	0.36	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-39.8	176.2	-69.9	-61.5	-66.6	0	0	112.2	E144 I150 M151 N152 I170	E144-M148 HydrophobicContact CG-CG 4.44Å; E144-M148 WeakPolarHBondContact O-CB 3.43Å; E144-M148 WeakPolarHBondContact O-CG 3.33Å; E144-M148 PolarHBondContact O-N 3.47Å; M148-I150 PolarHBondContact O-N 3.05Å; M148-M151 HydrophobicContact CE-CE 3.72Å; M148-M151 PolarHBondContact O-N 2.76Å; M148-M151 HydrophobicContact SD-CE 3.5Å; M148-M151 VanDerWaalsContact SD-CE 3.5Å; M148-N152 WeakPolarHBondContact O-CB 3.45Å; M148-N152 PolarHBondContact O-N 3.5Å; M148-N152 PolarHBondContact O-ND2 3.3Å; M148-I170 HydrophobicContact SD-CD1 4.31Å
149	S	52.5	Low	50.6	Low	46 Å²	46	80.1 Å²	80.1	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-41.2	174.4	-172.2	0	0	0	0	112.4	S145 L146 I147 T153	S145-S149 WeakPolarHBondContact O-CB 3.4Å; S145-S149 PolarHBondContact O-N 2.9Å; L146-S149 PolarHBondContact O-N 3.45Å; I147-S149 VanDerWaalsContact C-N 3.35Å; I147-S149 PolarHBondContact O-N 3.21Å; S149-T153 PolarHBondContact O-N 2.95Å; S149-T153 VanDerWaalsContact O-N 3.12Å; S149-T153 PolarHBondContact O-OG1 3.25Å; S149-T153 VanDerWaalsContact O-OG1 3.13Å
150	I	54.4	Low	50.8	Low	3 Å²	3	73.3 Å²	73.3	2%	0.015	38%	0.376	C	S	.	.	H	α-helix	trans	-72.9	-38.1	179.9	-68.6	170.2	0	0	0	110.8	L131 M135 L146 I147 M148 T153 A154	L131-I150 HydrophobicContact CD2-CD1 3.78Å; L131-I150 HydrophobicContact CD2-CG1 4.5Å; M135-I150 HydrophobicContact CE-CD1 3.97Å; M135-I150 HydrophobicContact SD-CD1 3.35Å; M135-I150 WeakPolarHBondContact SD-CD1 3.01Å; L146-I150 HydrophobicContact CD1-CD1 4.19Å; L146-I150 HydrophobicContact CG-CD1 4.12Å; L146-I150 VanDerWaalsContact O-CG1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 2.93Å; I147-I150 PolarHBondContact O-N 3.19Å; M148-I150 PolarHBondContact O-N 3.05Å; I150-T153 PolarHBondContact O-N 3.11Å; I150-A154 WeakPolarHBondContact O-CB 3.26Å; I150-A154 PolarHBondContact O-N 3.3Å
151	M	56.9	Low	51.2	Low	12 Å²	12	76.4 Å²	76.4	6%	0.059	39%	0.389	C	S	.	.	H	α-helix	trans	-63.8	-43.7	174.7	-166.2	176.2	77.8	0	0	111.4	I147 M148 T153 A154 I155 V163 C166 H167 I170	I147-M151 VanDerWaalsContact O-CB 3.31Å; I147-M151 WeakPolarHBondContact O-CB 3.35Å; I147-M151 PolarHBondContact O-N 3.07Å; M148-M151 HydrophobicContact CE-CE 3.72Å; M148-M151 PolarHBondContact O-N 2.76Å; M148-M151 HydrophobicContact SD-CE 3.5Å; M148-M151 VanDerWaalsContact SD-CE 3.5Å; M151-T153 PolarHBondContact O-N 2.77Å; M151-A154 PolarHBondContact O-N 2.69Å; M151-I155 HydrophobicContact CG-CD1 4.18Å; M151-I155 VanDerWaalsContact O-CG1 3.27Å; M151-I155 WeakPolarHBondContact O-CG1 3.09Å; M151-I155 PolarHBondContact O-N 2.73Å; M151-V163 HydrophobicContact CG-CG1 4.13Å; M151-C166 HydrophobicContact CB-CB 4.08Å; M151-C166 HydrophobicContact CG-CB 3.98Å; M151-C166 HydrophobicContact SD-CB 4.08Å; M151-H167 PolarHBondContact SD-CE1 3.32Å; M151-I170 HydrophobicContact SD-CD1 4.1Å
152	N	51.6	Low	51.4	Low	93 Å²	93	72.1 Å²	72.1	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-42.6	174.6	-72.4	-13.8	0	0	0	112	M148 I155 Y156	M148-N152 WeakPolarHBondContact O-CB 3.45Å; M148-N152 PolarHBondContact O-N 3.5Å; M148-N152 PolarHBondContact O-ND2 3.3Å; N152-I155 PolarHBondContact O-N 3.33Å; N152-Y156 WeakPolarHBondContact O-CB 3.47Å; N152-Y156 PolarHBondContact O-N 3.2Å
153	T	50	Low	51.8	Low	28 Å²	28	70.9 Å²	70.9	17%	0.172	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-37.8	173.6	-62.3	0	0	0	0	112.2	P121 F128 S149 I150 M151 Y156 L157	P121-T153 HydrophobicContact CG-CG2 3.79Å; F128-T153 HydrophobicContact CE2-CG2 4.06Å; F128-T153 HydrophobicContact CZ-CG2 4.08Å; S149-T153 PolarHBondContact O-N 2.95Å; S149-T153 VanDerWaalsContact O-N 3.12Å; S149-T153 PolarHBondContact O-OG1 3.25Å; S149-T153 VanDerWaalsContact O-OG1 3.13Å; I150-T153 PolarHBondContact O-N 3.11Å; M151-T153 PolarHBondContact O-N 2.77Å; T153-Y156 PolarHBondContact O-N 3.5Å; T153-L157 WeakPolarHBondContact O-CG 3.23Å; T153-L157 PolarHBondContact O-N 3.43Å
154	A	53.3	Low	51.9	Low	2 Å²	2	69.2 Å²	69.2	2%	0.017	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-40.3	177	0	0	0	0	0	112.5	I150 M151 L157 Q158 M159 V162 V163	I150-A154 WeakPolarHBondContact O-CB 3.26Å; I150-A154 PolarHBondContact O-N 3.3Å; M151-A154 PolarHBondContact O-N 2.69Å; A154-L157 CarbonylContact O-C 3.48Å; A154-L157 PolarHBondContact O-N 2.95Å; A154-Q158 PolarHBondContact O-N 2.68Å; A154-Q158 VanDerWaalsContact O-N 3.08Å; A154-M159 HydrophobicContact CB-CB 4.21Å; A154-M159 PolarHBondContact O-N 2.76Å; A154-V162 HydrophobicContact CB-CB 4.02Å; A154-V162 HydrophobicContact CB-CG1 3.92Å; A154-V163 HydrophobicContact CB-CG2 3.67Å
155	I	58.3	Low	52.1	Low	88 Å²	88	65.9 Å²	65.9	45%	0.451	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-46.7	171.8	-68.5	164	0	0	0	110.1	M151 N152 L157 Q158 V163	M151-I155 HydrophobicContact CG-CD1 4.18Å; M151-I155 VanDerWaalsContact O-CG1 3.27Å; M151-I155 WeakPolarHBondContact O-CG1 3.09Å; M151-I155 PolarHBondContact O-N 2.73Å; N152-I155 PolarHBondContact O-N 3.33Å; I155-L157 PolarHBondContact O-N 3.11Å; I155-Q158 PolarHBondContact O-N 2.83Å; I155-V163 HydrophobicContact CD1-CG1 4.3Å; I155-V163 HydrophobicContact CG1-CB 4.48Å; I155-V163 HydrophobicContact CG1-CG1 3.91Å; I155-V163 HydrophobicContact CG1-CG2 3.65Å
156	Y	49.1	Very low	52.3	Low	161 Å²	161	62 Å²	62	63%	0.631	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-24.5	176.6	179.7	-99.1	0	0	0	113.6	K122 N152 T153	K122-Y156 PolarHBondContact NZ-OH 3.41Å; N152-Y156 WeakPolarHBondContact O-CB 3.47Å; N152-Y156 PolarHBondContact O-N 3.2Å; T153-Y156 PolarHBondContact O-N 3.5Å
157	L	46.2	Very low	52.6	Low	63 Å²	63	64.2 Å²	64.2	33%	0.33	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	3	174.7	-71.4	-172.6	0	0	0	114.9	P121 T153 A154 I155 M159	P121-L157 HydrophobicContact CB-CD1 4.1Å; P121-L157 HydrophobicContact CG-CD1 3.55Å; P121-L157 HydrophobicContact CG-CG 4.28Å; T153-L157 WeakPolarHBondContact O-CG 3.23Å; T153-L157 PolarHBondContact O-N 3.43Å; A154-L157 CarbonylContact O-C 3.48Å; A154-L157 PolarHBondContact O-N 2.95Å; I155-L157 PolarHBondContact O-N 3.11Å; L157-M159 HydrophobicContact CB-CG 3.73Å; L157-M159 PolarHBondContact O-N 3.44Å
158	Q	49.9	Very low	52.6	Low	160 Å²	160	71.2 Å²	71.2	75%	0.748	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	40.2	-175	-58.8	175.1	-17.6	0	0	112.5	A154 I155 D160	A154-Q158 PolarHBondContact O-N 2.68Å; A154-Q158 VanDerWaalsContact O-N 3.08Å; I155-Q158 PolarHBondContact O-N 2.83Å; Q158-D160 PolarHBondContact O-N 3.2Å
159	M	46.2	Very low	52.7	Low	78 Å²	78	71.6 Å²	71.6	38%	0.384	35%	0.35	S	S	.	.			trans	-95.5	60.2	-179.9	-67.9	-76.3	96.3	0	0	111	A154 L157 H161 V162 V163	A154-M159 HydrophobicContact CB-CB 4.21Å; A154-M159 PolarHBondContact O-N 2.76Å; L157-M159 HydrophobicContact CB-CG 3.73Å; L157-M159 PolarHBondContact O-N 3.44Å; M159-H161 VanDerWaalsContact C-N 3.25Å; M159-H161 PolarHBondContact O-N 3.16Å; M159-H161 VanDerWaalsContact O-N 3.1Å; M159-V162 HydrophobicContact CB-CB 4.21Å; M159-V162 HydrophobicContact CB-CG2 4.03Å; M159-V162 WeakPolarHBondContact O-CA 3.25Å; M159-V162 WeakPolarHBondContact O-CB 3.16Å; M159-V162 PolarHBondContact O-N 3.3Å; M159-V163 PolarHBondContact O-N 3.45Å; M159-V163 VanDerWaalsContact O-N 3.17Å
160	D	45.9	Very low	53.2	Low	112 Å²	112	72 Å²	72	60%	0.599	35%	0.348	S	S	*	.	H	α-helix	trans	-52.4	-39.5	-168.8	-55.2	-29.1	0	0	0	113.6	Q158 V162 V163 D164	Q158-D160 PolarHBondContact O-N 3.2Å; D160-V162 VanDerWaalsContact C-N 3.27Å; D160-V162 PolarHBondContact O-N 3.45Å; D160-V163 CarbonylContact O-C 3.16Å; D160-V163 WeakPolarHBondContact O-CA 3.27Å; D160-V163 WeakPolarHBondContact O-CB 3.43Å; D160-V163 PolarHBondContact O-N 2.61Å; D160-V163 VanDerWaalsContact O-N 3.08Å; D160-D164 WeakPolarHBondContact O-CB 3.26Å; D160-D164 PolarHBondContact O-N 3.13Å
161	H	48.7	Very low	53.1	Low	124 Å²	124	80.6 Å²	80.6	57%	0.574	39%	0.385	S	S	*	.	H	α-helix	trans	-62.3	-28.8	176.3	69.3	-80.9	0	0	0	114.2	M159 T165	M159-H161 VanDerWaalsContact C-N 3.25Å; M159-H161 PolarHBondContact O-N 3.16Å; M159-H161 VanDerWaalsContact O-N 3.1Å; H161-T165 WeakPolarHBondContact O-CB 3.39Å; H161-T165 PolarHBondContact O-N 3.48Å; H161-T165 PolarHBondContact O-OG1 3.44Å
162	V	49.5	Very low	52.9	Low	23 Å²	23	83.1 Å²	83.1	14%	0.139	40%	0.404	C	S	.	.	H	α-helix	trans	-77.5	-41	172.4	-176.1	0	0	0	0	109.7	L132 A154 M159 D160 T165 C166	L132-V162 HydrophobicContact CD2-CG1 4.18Å; A154-V162 HydrophobicContact CB-CB 4.02Å; A154-V162 HydrophobicContact CB-CG1 3.92Å; M159-V162 HydrophobicContact CB-CB 4.21Å; M159-V162 HydrophobicContact CB-CG2 4.03Å; M159-V162 WeakPolarHBondContact O-CA 3.25Å; M159-V162 WeakPolarHBondContact O-CB 3.16Å; M159-V162 PolarHBondContact O-N 3.3Å; D160-V162 VanDerWaalsContact C-N 3.27Å; D160-V162 PolarHBondContact O-N 3.45Å; V162-T165 CarbonylContact O-C 3.58Å; V162-T165 WeakPolarHBondContact O-CA 3.08Å; V162-T165 WeakPolarHBondContact O-CB 3.37Å; V162-T165 PolarHBondContact O-N 3.03Å; V162-T165 VanDerWaalsContact O-N 3.08Å; V162-C166 PolarHBondContact O-N 3.09Å; V162-C166 PolarHBondContact O-SG 2.94Å; V162-C166 VanDerWaalsContact O-SG 3.4Å
163	V	57.2	Low	52.9	Low	14 Å²	14	82.5 Å²	82.5	9%	0.085	41%	0.407	C	S	.	.	H	α-helix	trans	-61	-47.8	176.7	-177.6	0	0	0	0	110.9	M151 A154 I155 M159 D160 T165 C166 H167	M151-V163 HydrophobicContact CG-CG1 4.13Å; A154-V163 HydrophobicContact CB-CG2 3.67Å; I155-V163 HydrophobicContact CD1-CG1 4.3Å; I155-V163 HydrophobicContact CG1-CB 4.48Å; I155-V163 HydrophobicContact CG1-CG1 3.91Å; I155-V163 HydrophobicContact CG1-CG2 3.65Å; M159-V163 PolarHBondContact O-N 3.45Å; M159-V163 VanDerWaalsContact O-N 3.17Å; D160-V163 CarbonylContact O-C 3.16Å; D160-V163 WeakPolarHBondContact O-CA 3.27Å; D160-V163 WeakPolarHBondContact O-CB 3.43Å; D160-V163 PolarHBondContact O-N 2.61Å; D160-V163 VanDerWaalsContact O-N 3.08Å; V163-T165 PolarHBondContact O-N 3.05Å; V163-C166 PolarHBondContact O-N 3.26Å; V163-H167 PolarHBondContact O-CD2 3.49Å; V163-H167 PolarHBondContact O-N 3.37Å
164	D	54.2	Low	52.6	Low	95 Å²	95	85.6 Å²	85.6	51%	0.508	42%	0.423	S	S	.	.	H	α-helix	trans	-59.8	-30.5	172	-91.9	-10.8	0	0	0	113.3	D160 R168	D160-D164 WeakPolarHBondContact O-CB 3.26Å; D160-D164 PolarHBondContact O-N 3.13Å; D164-R168 VanDerWaalsContact O-CB 3.3Å; D164-R168 WeakPolarHBondContact O-CB 2.96Å; D164-R168 VanDerWaalsContact O-CG 3.24Å; D164-R168 WeakPolarHBondContact O-CG 3.42Å; D164-R168 PolarHBondContact O-N 2.86Å; D164-R168 PolarHBondContact O-NE 3.39Å
165	T	53.9	Low	52.1	Low	67 Å²	67	91.9 Å²	91.9	41%	0.411	46%	0.464	S	S	.	.	H	α-helix	trans	-78.4	-39.3	177.5	-59.3	0	0	0	0	110.9	H161 V162 V163 R168 F169	H161-T165 WeakPolarHBondContact O-CB 3.39Å; H161-T165 PolarHBondContact O-N 3.48Å; H161-T165 PolarHBondContact O-OG1 3.44Å; V162-T165 CarbonylContact O-C 3.58Å; V162-T165 WeakPolarHBondContact O-CA 3.08Å; V162-T165 WeakPolarHBondContact O-CB 3.37Å; V162-T165 PolarHBondContact O-N 3.03Å; V162-T165 VanDerWaalsContact O-N 3.08Å; V163-T165 PolarHBondContact O-N 3.05Å; T165-R168 PolarHBondContact OG1-NH2 3.42Å; T165-R168 VanDerWaalsContact OG1-NH2 3.17Å; T165-F169 WeakPolarHBondContact O-CB 3.45Å; T165-F169 PolarHBondContact O-N 3.41Å
166	C	55.9	Low	51.4	Low	8 Å²	8	93.2 Å²	93.2	5%	0.054	48%	0.476	C	S	.	.	H	α-helix	trans	-62.5	-46.7	169.6	-68.4	0	0	0	0	111.7	I147 M151 V162 V163 R168 F169 I170	I147-C166 HydrophobicContact CG2-CB 4.18Å; M151-C166 HydrophobicContact CB-CB 4.08Å; M151-C166 HydrophobicContact CG-CB 3.98Å; M151-C166 HydrophobicContact SD-CB 4.08Å; V162-C166 PolarHBondContact O-N 3.09Å; V162-C166 PolarHBondContact O-SG 2.94Å; V162-C166 VanDerWaalsContact O-SG 3.4Å; V163-C166 PolarHBondContact O-N 3.26Å; C166-R168 PolarHBondContact O-N 2.8Å; C166-F169 WeakPolarHBondContact O-CB 3.38Å; C166-F169 PolarHBondContact O-N 3.19Å; C166-I170 VanDerWaalsContact O-CG1 3.29Å; C166-I170 WeakPolarHBondContact O-CG1 3.04Å; C166-I170 PolarHBondContact O-N 2.94Å
167	H	58.5	Low	50.8	Low	91 Å²	91	89 Å²	89	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-42.9	176.2	-77.5	-49.3	0	0	0	112.6	M151 V163 F169 I170 K171	M151-H167 PolarHBondContact SD-CE1 3.32Å; V163-H167 PolarHBondContact O-CD2 3.49Å; V163-H167 PolarHBondContact O-N 3.37Å; H167-F169 VanDerWaalsContact C-N 3.33Å; H167-F169 PolarHBondContact O-N 2.86Å; H167-I170 PolarHBondContact O-N 3.21Å; H167-K171 WeakPolarHBondContact O-CB 3.45Å; H167-K171 PolarHBondContact O-N 3.15Å
168	R	57.3	Low	50.3	Low	155 Å²	155	95.8 Å²	95.8	59%	0.585	50%	0.501	S	S	*	.	H	α-helix	trans	-64.6	-37	173.9	-76.9	176.9	-67.2	177.9	2.5	112.3	D164 T165 C166 K171 S172	D164-R168 VanDerWaalsContact O-CB 3.3Å; D164-R168 WeakPolarHBondContact O-CB 2.96Å; D164-R168 VanDerWaalsContact O-CG 3.24Å; D164-R168 WeakPolarHBondContact O-CG 3.42Å; D164-R168 PolarHBondContact O-N 2.86Å; D164-R168 PolarHBondContact O-NE 3.39Å; T165-R168 PolarHBondContact OG1-NH2 3.42Å; T165-R168 VanDerWaalsContact OG1-NH2 3.17Å; C166-R168 PolarHBondContact O-N 2.8Å; R168-K171 PolarHBondContact O-N 2.8Å; R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.46Å; R168-S172 PolarHBondContact O-N 2.81Å; R168-S172 PolarHBondContact O-OG 3.06Å
169	F	57.5	Low	49.5	Very low	80 Å²	80	94.8 Å²	94.8	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-51.5	174.9	-165.5	-85.2	0	0	0	111.2	I147 T165 C166 H167 K171 S172 S173	I147-F169 HydrophobicContact CD1-CD1 3.78Å; I147-F169 HydrophobicContact CD1-CE1 3.81Å; T165-F169 WeakPolarHBondContact O-CB 3.45Å; T165-F169 PolarHBondContact O-N 3.41Å; C166-F169 WeakPolarHBondContact O-CB 3.38Å; C166-F169 PolarHBondContact O-N 3.19Å; H167-F169 VanDerWaalsContact C-N 3.33Å; H167-F169 PolarHBondContact O-N 2.86Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.2Å; F169-S172 WeakPolarHBondContact CA-OG 3.24Å; F169-S172 WeakPolarHBondContact O-CA 3.46Å; F169-S172 PolarHBondContact O-N 3.06Å; F169-S172 PolarHBondContact O-OG 2.98Å; F169-S173 PolarHBondContact O-N 3.43Å; F169-S173 PolarHBondContact O-OG 3.19Å
170	I	62.3	Low	48.9	Very low	54 Å²	54	95.3 Å²	95.3	28%	0.277	51%	0.509	S	S	.	.	H	α-helix	trans	-57.9	-41.3	176.5	-66	162.7	0	0	0	111.1	I147 M148 M151 C166 H167 S172 S173	I147-I170 HydrophobicContact CG2-CD1 3.89Å; I147-I170 HydrophobicContact CG2-CG1 3.93Å; M148-I170 HydrophobicContact SD-CD1 4.31Å; M151-I170 HydrophobicContact SD-CD1 4.1Å; C166-I170 VanDerWaalsContact O-CG1 3.29Å; C166-I170 WeakPolarHBondContact O-CG1 3.04Å; C166-I170 PolarHBondContact O-N 2.94Å; H167-I170 PolarHBondContact O-N 3.21Å; I170-S172 PolarHBondContact O-N 2.85Å; I170-S173 PolarHBondContact O-OG 3.1Å
171	K	53.2	Low	48.2	Very low	184 Å²	184	100.3 Å²	100.3	80%	0.8	52%	0.52	S	S	*	.	H	α-helix	trans	-72.1	-12.3	176.5	-165.6	171.4	-177.8	178	0	113.8	H167 R168 F169	H167-K171 WeakPolarHBondContact O-CB 3.45Å; H167-K171 PolarHBondContact O-N 3.15Å; R168-K171 PolarHBondContact O-N 2.8Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.2Å
172	S	52.4	Low	47.4	Very low	65 Å²	65	99.8 Å²	99.8	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-102.4	-7.4	179	74	0	0	0	0	114.6	R168 F169 I170 D174	R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.46Å; R168-S172 PolarHBondContact O-N 2.81Å; R168-S172 PolarHBondContact O-OG 3.06Å; F169-S172 WeakPolarHBondContact CA-OG 3.24Å; F169-S172 WeakPolarHBondContact O-CA 3.46Å; F169-S172 PolarHBondContact O-N 3.06Å; F169-S172 PolarHBondContact O-OG 2.98Å; I170-S172 PolarHBondContact O-N 2.85Å; S172-D174 PolarHBondContact O-N 3.44Å
173	S	51.7	Low	46.6	Very low	80 Å²	80	106.5 Å²	106.5	56%	0.559	55%	0.551	S	S	*	*			trans	-77.8	6	178.3	22.7	0	0	0	0	115.1	F169 I170	F169-S173 PolarHBondContact O-N 3.43Å; F169-S173 PolarHBondContact O-OG 3.19Å; I170-S173 PolarHBondContact O-OG 3.1Å
174	D	42.9	Very low	45.6	Very low	93 Å²	93	114.5 Å²	114.5	50%	0.497	59%	0.585	S	S	.	*			trans	-69.1	119.6	169.8	-171.3	-47.9	0	0	0	109.7	S172 T176 A177	S172-D174 PolarHBondContact O-N 3.44Å; D174-T176 PolarHBondContact O-N 2.86Å; D174-T176 PolarHBondContact OD1-N 2.76Å; D174-T176 PolarHBondContact OD1-OG1 3.28Å; D174-A177 PolarHBondContact O-N 3.08Å
175	P	42.3	Very low	44.6	Very low	135 Å²	135	116.8 Å²	116.8	88%	0.877	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	1.1	-166.9	27.6	-36.2	0	0	0	115.4
176	T	44.3	Very low	43.6	Very low	116 Å²	116	119.5 Å²	119.5	71%	0.712	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-17.6	-178.7	61.5	0	0	0	0	114.6	D174 K178	D174-T176 PolarHBondContact O-N 2.86Å; D174-T176 PolarHBondContact OD1-N 2.76Å; D174-T176 PolarHBondContact OD1-OG1 3.28Å; T176-K178 PolarHBondContact O-N 2.88Å
177	A	37.8	Very low	42.2	Very low	72 Å²	72	123.6 Å²	123.6	60%	0.595	64%	0.642	S	S	*	*			trans	-85.2	98.2	-170.9	0	0	0	0	0	113.9	D174 L179	D174-A177 PolarHBondContact O-N 3.08Å; A177-L179 PolarHBondContact O-N 3.29Å
178	K	33.9	Very low	41.3	Very low	205 Å²	205	125.7 Å²	125.7	89%	0.891	66%	0.663	S	S	*	*			trans	-81.2	110.6	168.2	-69.1	-178.2	-178.5	173.7	0	111.1	T176	T176-K178 PolarHBondContact O-N 2.88Å
179	L	34.5	Very low	39.8	Very low	139 Å²	139	125.9 Å²	125.9	73%	0.728	68%	0.675	S	S	*	*			trans	-75.1	129.6	167.9	-85.8	166.1	0	0	0	111.4	A177	A177-L179 PolarHBondContact O-N 3.29Å
180	P	32.2	Very low	38.6	Very low	89 Å²	89	127.7 Å²	127.7	58%	0.578	69%	0.693	S	S	*	*			trans	-59.9	154.6	166.6	-22.2	34.5	0	0	0	111.7
181	R	32.3	Very low	37	Very low	217 Å²	217	133.1 Å²	133.1	82%	0.819	72%	0.721	S	S	*	*	S	Bend	trans	-86.7	-16.7	-168.1	-150.1	177.5	-169	173.7	2.7	114.1
182	D	31.3	Very low	36.3	Very low	113 Å²	113	129.1 Å²	129.1	60%	0.604	71%	0.714	S	S	*	*	S	Bend	trans	-104.8	-24.3	-152.6	-52.8	-55.5	0	0	0	114.6	F184 L185	D182-F184 VanDerWaalsContact C-N 3.3Å; D182-F184 PolarHBondContact O-N 3.48Å; D182-L185 PolarHBondContact O-N 3.23Å
183	E	34	Very low	35.2	Very low	165 Å²	165	133.8 Å²	133.8	77%	0.771	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-67.4	-29.6	176.3	-66.6	-171.8	139.7	0	0	112.7	L185 V186	E183-L185 PolarHBondContact O-N 3.05Å; E183-V186 PolarHBondContact O-N 3.07Å
184	F	34.5	Very low	34.2	Very low	181 Å²	181	137.1 Å²	137.1	79%	0.794	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-72.8	-4.1	178.6	-100.7	-83.2	0	0	0	114.7	D182	D182-F184 VanDerWaalsContact C-N 3.3Å; D182-F184 PolarHBondContact O-N 3.48Å
185	L	33.2	Very low	33.6	Very low	144 Å²	144	140.1 Å²	140.1	75%	0.754	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-98.6	-1.8	177.5	-66.4	176.7	0	0	0	113.5	D182 E183	D182-L185 PolarHBondContact O-N 3.23Å; E183-L185 PolarHBondContact O-N 3.05Å
186	V	34.6	Very low	33	Very low	123 Å²	123	142.8 Å²	142.8	75%	0.745	76%	0.755	S	S	*	*	S	Bend	trans	-118.2	64.5	179.1	-166.1	0	0	0	0	110.9	E183	E183-V186 PolarHBondContact O-N 3.07Å
187	S	26.1	Very low	32.2	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	76%	0.762	S	S	*	*			trans	-154.6	114.5	168	-82.6	0	0	0	0	111.4	L189	S187-L189 PolarHBondContact O-N 3.07Å; S187-L189 VanDerWaalsContact O-N 3.08Å
188	P	38.2	Very low	31.5	Very low	135 Å²	135	149.1 Å²	149.1	88%	0.877	77%	0.774	S	S	*	*			trans	-88.5	70.9	-167.1	35.1	-36.9	0	0	0	113.9
189	L	27.6	Very low	31.4	Very low	159 Å²	159	149.4 Å²	149.4	83%	0.832	77%	0.77	S	S	*	*			trans	-143.3	135.1	173.2	-67	175.6	0	0	0	107.9	S187	S187-L189 PolarHBondContact O-N 3.07Å; S187-L189 VanDerWaalsContact O-N 3.08Å
190	V	32.1	Very low	31.5	Very low	118 Å²	118	147.9 Å²	147.9	72%	0.715	77%	0.768	S	S	*	*			cis	-143	152.7	12.3	177.7	0	0	0	0	109.7	P192	V190-P192 HydrophobicContact CG1-CG 4Å
191	L	28	Very low	31.3	Very low	168 Å²	168	151.2 Å²	151.2	88%	0.88	78%	0.776	S	S	*	*			trans	-126.6	111.9	155.7	-130.4	172.6	0	0	0	108.4	Q193	L191-Q193 PolarHBondContact O-N 3.13Å
192	P	37.5	Very low	31.1	Very low	100 Å²	100	146.4 Å²	146.4	65%	0.649	77%	0.766	S	S	*	*			trans	-75.4	111.3	-166.8	-18.4	31.7	0	0	0	114.2	V190	V190-P192 HydrophobicContact CG1-CG 4Å
193	Q	30.2	Very low	30.8	Very low	163 Å²	163	147.9 Å²	147.9	76%	0.762	78%	0.779	S	S	*	*			trans	-80.7	177.4	142.7	-136.7	68.5	22.3	0	0	109.1	L191	L191-Q193 PolarHBondContact O-N 3.13Å
194	D	29.9	Very low	30.6	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	78%	0.78	S	S	*	*			trans	65.4	58.1	163.7	-52.9	-23.4	0	0	0	119.1
195	I	31.2	Very low	30.2	Very low	156 Å²	156	144.9 Å²	144.9	80%	0.8	78%	0.781	S	S	*	*			trans	-108.7	63.6	146	-49	-178.9	0	0	0	109.7
196	H	29.1	Very low	29.8	Very low	191 Å²	191	143.5 Å²	143.5	88%	0.884	78%	0.783	S	S	*	*			trans	-168.6	76.8	157.6	-98.5	-35.9	0	0	0	112.9
197	A	27.3	Very low	29.4	Very low	104 Å²	104	144.6 Å²	144.6	86%	0.86	78%	0.784	S	S	*	*			trans	-129.9	135.5	157.6	0	0	0	0	0	109.1
198	Y	24.8	Very low	29.4	Very low	218 Å²	218	148 Å²	148	86%	0.855	79%	0.789	S	S	*	*			trans	-101.9	145.9	179.7	-127.7	-102.5	0	0	0	109.1
199	R	31.5	Very low	28.9	Very low	211 Å²	211	145.2 Å²	145.2	80%	0.796	77%	0.773	S	S	*	*			trans	-53.5	152.4	163.2	-104.5	-168.6	-173.1	-153.8	5.8	110.5
200	P	36.6	Very low	28.9	Very low	106 Å²	106	148.3 Å²	148.3	69%	0.688	77%	0.773	S	S	*	*				-145.1	-168	65.8	45.4	-27.5	0	0	0	113.5
201	H	26.6	Very low	28.6	Very low	160 Å²	160	150.7 Å²	150.7	74%	0.741	78%	0.782	S	S	*	*			cis	-140.3	-166.1	4.3	-129.5	-58.3	0	0	0	110
202	D	28.1	Very low	28.6	Very low	116 Å²	116	146.9 Å²	146.9	62%	0.62	77%	0.774	S	S	*	*			trans	-83.3	153.1	-169.8	-43.9	-81.7	0	0	0	114.5
203	V	26.4	Very low	28.9	Very low	144 Å²	144	147 Å²	147	87%	0.873	78%	0.775	S	S	*	*			trans	-134.9	137.5	154.5	179.9	0	0	0	0	107.1
204	V	28.4	Very low	28.7	Very low	131 Å²	131	147.8 Å²	147.8	79%	0.794	78%	0.776	S	S	*	*			trans	-104.9	131.1	177	175.5	0	0	0	0	109
205	D	28.1	Very low	28.7	Very low	151 Å²	151	150.2 Å²	150.2	81%	0.807	77%	0.774	S	S	*	*			trans	-69.6	142.5	176	-92.7	-52.8	0	0	0	113.1
206	S	24.4	Very low	28.5	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	77%	0.772	S	S	*	*			trans	-160.2	127.4	152.9	-82.9	0	0	0	0	111
207	L	25.5	Very low	28.4	Very low	145 Å²	145	144.4 Å²	144.4	76%	0.759	77%	0.77	S	S	*	*			trans	-77.9	162.4	-177.1	-53.9	96.6	0	0	0	112.4
208	H	26.8	Very low	28.3	Very low	168 Å²	168	151.1 Å²	151.1	78%	0.778	77%	0.774	S	S	*	*				179.8	121.7	102.8	-95.2	88.4	0	0	0	116.7
209	S	26.6	Very low	29.9	Very low	76 Å²	76	145.4 Å²	145.4	53%	0.531	76%	0.763	S	S	.	*			trans	58.1	120.9	132.1	-82.5	0	0	0	0	124.2
210	R	28.7	Very low	29.8	Very low	223 Å²	223	147 Å²	147	84%	0.842	77%	0.771	S	S	*	*			trans	74.9	152.5	137.4	-55.4	166.8	-147.6	-133.2	5.1	116
211	L	26	Very low	29.2	Very low	169 Å²	169	144.7 Å²	144.7	89%	0.885	77%	0.766	S	S	*	*			cis	-133.4	170.3	24.2	-76.3	161.3	0	0	0	114.1
212	A	27.5	Very low	29.3	Very low	88 Å²	88	143 Å²	143	73%	0.727	77%	0.767	S	S	*	*			trans	-101	-162.3	166.9	0	0	0	0	0	109
213	P	44.4	Very low	29.3	Very low	102 Å²	102	143.3 Å²	143.3	66%	0.662	77%	0.769	S	S	*	*			cis	-139.3	173.8	-1.5	30.8	-6.7	0	0	0	116.3
214	F	25.6	Very low	29.4	Very low	179 Å²	179	144.8 Å²	144.8	79%	0.785	77%	0.769	S	S	*	*				165.9	137.4	114.4	-106.1	-76.1	0	0	0	116.3
215	R	29.2	Very low	29.3	Very low	201 Å²	201	146.8 Å²	146.8	76%	0.758	77%	0.767	S	S	*	*			trans	70	111.7	141.7	-116.2	165.8	-175	175.6	4.3	124.8
216	D	27.6	Very low	29.2	Very low	142 Å²	142	143.9 Å²	143.9	76%	0.759	76%	0.759	S	S	*	*				34.2	133	122.6	-39.6	-28.1	0	0	0	121.8
217	G	25.7	Very low	29.2	Very low	82 Å²	82	143.8 Å²	143.8	85%	0.845	76%	0.758	S	S	*	*			trans	166.5	104.4	160.1	0	0	0	0	0	114
218	R	26.7	Very low	29.3	Very low	246 Å²	246	142.9 Å²	142.9	93%	0.928	76%	0.758	S	S	*	*			trans	-113	-178.7	169	-139.3	-148.7	-106.7	-138.6	2.4	109.9
219	P	57.2	Low	29.3	Very low	98 Å²	98	139 Å²	139	64%	0.636	75%	0.75	S	S	*	*				-109.3	166.7	-117.2	39.8	-25.1	0	0	0	114.3
220	Y	29.1	Very low	29.3	Very low	243 Å²	243	141.6 Å²	141.6	95%	0.953	76%	0.763	S	S	*	*			trans	-158.3	174.8	151.5	-104.8	-70.9	0	0	0	110.2
221	G	25.6	Very low	30	Very low	58 Å²	58	136.8 Å²	136.8	60%	0.598	76%	0.76	S	S	*	*			trans	-166.4	-150.1	178.6	0	0	0	0	0	113.3
222	T	27.9	Very low	30.1	Very low	124 Å²	124	133.6 Å²	133.6	76%	0.761	75%	0.752	S	S	*	*			trans	80.1	117	175.8	5.1	0	0	0	0	119.1
223	N	27.8	Very low	30	Very low	123 Å²	123	136.5 Å²	136.5	66%	0.658	76%	0.756	S	S	*	*			trans	64.1	153.1	149.5	-61.3	-9.1	0	0	0	119
224	M	27.9	Very low	29.3	Very low	175 Å²	175	141 Å²	141	86%	0.862	76%	0.761	S	S	*	*			cis	-132.4	164.6	25.1	-36.2	-171.6	82	0	0	110.9
225	F	27	Very low	29.6	Very low	173 Å²	173	139.5 Å²	139.5	76%	0.759	76%	0.756	S	S	*	*			cis	65.5	137	33.7	-80.7	-65.6	0	0	0	114.6
226	S	26	Very low	29.5	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	76%	0.756	S	S	*	*			cis	-162.8	151.9	-0.3	-168.5	0	0	0	0	112.8
227	S	23.6	Very low	29.6	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	76%	0.763	S	S	*	*			trans	-161.8	113.9	142.7	39	0	0	0	0	109.9
228	V	28.6	Very low	29.5	Very low	126 Å²	126	140.5 Å²	140.5	76%	0.764	76%	0.756	S	S	*	*				82.8	126	63.4	166.5	0	0	0	0	111.3
229	S	27	Very low	29.5	Very low	87 Å²	87	138.4 Å²	138.4	61%	0.608	76%	0.757	S	S	*	*			cis	-165.5	137.9	-4.8	41.7	0	0	0	0	108
230	T	26.2	Very low	28.4	Very low	130 Å²	130	143 Å²	143	80%	0.798	77%	0.768	S	S	*	*				59.5	162.7	69.4	72.9	0	0	0	0	114.3
231	P	42.8	Very low	29	Very low	122 Å²	122	137.4 Å²	137.4	79%	0.792	76%	0.761	S	S	*	*			cis	-142.9	-162.4	9.5	45.3	-25.6	0	0	0	117.3
232	S	28.4	Very low	29.3	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	77%	0.77	S	S	*	*			trans	105.7	138.6	158.7	-143.6	0	0	0	0	116.6
233	N	26.6	Very low	30.1	Very low	150 Å²	150	142.5 Å²	142.5	80%	0.802	77%	0.774	S	S	*	*			cis	-143.6	-170.9	14.2	-147.6	-19.6	0	0	0	114.3
234	Y	29.2	Very low	29.9	Very low	196 Å²	196	139.8 Å²	139.8	77%	0.769	78%	0.775	S	S	*	*			trans	-132.9	144	-156.4	-121.4	-124.3	0	0	0	116.9
235	H	31.3	Very low	29.9	Very low	148 Å²	148	140.2 Å²	140.2	69%	0.685	77%	0.772	S	S	*	*			trans	65.6	151.8	134.9	-93.8	-119.3	0	0	0	127.7
236	L	27.1	Very low	30.6	Very low	143 Å²	143	137.8 Å²	137.8	75%	0.749	77%	0.774	S	S	*	*			trans	92.3	110.9	141.1	-78.3	159	0	0	0	125.8
237	Y	29	Very low	30.9	Very low	233 Å²	233	140.9 Å²	140.9	91%	0.914	78%	0.776	S	S	*	*				45.1	141.6	128.3	-99.8	-105.6	0	0	0	125.5
238	G	25.2	Very low	31.5	Very low	69 Å²	69	141.3 Å²	141.3	71%	0.711	78%	0.776	S	S	*	*			trans	167.5	95.8	153.2	0	0	0	0	0	122.1
239	Q	26.7	Very low	31.4	Very low	203 Å²	203	142 Å²	142	95%	0.949	77%	0.774	S	S	*	*			trans	67.6	159.2	141.8	-65.2	179.4	-13.9	0	0	124.7
240	F	33	Very low	31.2	Very low	195 Å²	195	144 Å²	144	86%	0.855	79%	0.787	S	S	*	*			trans	-129.8	156.5	-179.7	-102.3	-75.1	0	0	0	109.1
241	P	41.4	Very low	31.4	Very low	125 Å²	125	146.7 Å²	146.7	81%	0.812	79%	0.787	S	S	*	*				-153.8	173.8	101.5	39	-20.1	0	0	0	117.6
242	M	32.8	Very low	30.4	Very low	159 Å²	159	148.7 Å²	148.7	78%	0.783	79%	0.791	S	S	*	*			trans	-98	155.3	168.9	-77.7	-78.6	-69	0	0	111
243	P	44.4	Very low	30.3	Very low	130 Å²	130	149.1 Å²	149.1	84%	0.844	79%	0.789	S	S	*	*				-146.3	180	84.5	34.5	-13.6	0	0	0	114.2
244	G	23.2	Very low	30.4	Very low	66 Å²	66	149.2 Å²	149.2	68%	0.68	79%	0.789	S	S	*	*			cis	-172.1	-173	4.8	0	0	0	0	0	114.6
245	F	28.7	Very low	30.3	Very low	184 Å²	184	146.2 Å²	146.2	81%	0.807	79%	0.792	S	S	*	*			trans	-85.8	178	-174.8	-89	-81.8	0	0	0	113.5	F247	F245-F247 HydrophobicContact CD1-CD2 4.43Å; F245-F247 HydrophobicContact CD1-CE2 4.34Å; F245-F247 HydrophobicContact CE1-CD2 4.47Å; F245-F247 AromaticContact CE1-CE2 3.94Å; F245-F247 HydrophobicContact CE1-CE2 3.94Å
246	P	41.1	Very low	30.3	Very low	122 Å²	122	147.9 Å²	147.9	79%	0.792	80%	0.797	S	S	*	*			cis	-144.1	-175.8	26.4	43.5	-22.2	0	0	0	119.8
247	F	33.4	Very low	30.3	Very low	156 Å²	156	148.5 Å²	148.5	68%	0.684	80%	0.801	S	S	*	*			trans	-74.6	170.7	168.2	-62.1	-92.3	0	0	0	112.9	F245 I249	F245-F247 HydrophobicContact CD1-CD2 4.43Å; F245-F247 HydrophobicContact CD1-CE2 4.34Å; F245-F247 HydrophobicContact CE1-CD2 4.47Å; F245-F247 AromaticContact CE1-CE2 3.94Å; F245-F247 HydrophobicContact CE1-CE2 3.94Å; F247-I249 HydrophobicContact CB-CG1 4.14Å
248	P	35.9	Very low	30.1	Very low	122 Å²	122	140.9 Å²	140.9	79%	0.792	79%	0.786	S	S	*	*				-130.1	143.7	88.3	39.4	-31	0	0	0	111.7
249	I	27	Very low	30	Very low	141 Å²	141	147.8 Å²	147.8	72%	0.723	80%	0.797	S	S	*	*				59.1	106.7	55.8	-56.8	179.2	0	0	0	113.2	F247	F247-I249 HydrophobicContact CB-CG1 4.14Å
250	C	22.3	Very low	29.9	Very low	128 Å²	128	142 Å²	142	87%	0.865	78%	0.784	S	S	*	*			trans	-142.5	119.1	151.3	-160.9	0	0	0	0	110.1
251	K	29.2	Very low	29.5	Very low	186 Å²	186	139.7 Å²	139.7	81%	0.809	78%	0.78	S	S	*	*			trans	-126.2	128.4	165.7	-83.7	-172.7	175.9	-176.2	0	106.5
252	L	23.6	Very low	28.8	Very low	165 Å²	165	140.5 Å²	140.5	86%	0.864	78%	0.777	S	S	*	*			trans	-179.3	145.3	161.8	-120.2	71.8	0	0	0	105.3
253	T	26.3	Very low	28.5	Very low	110 Å²	110	136.6 Å²	136.6	68%	0.675	77%	0.765	S	S	*	*			cis	-139.7	153.1	0.8	39.1	0	0	0	0	110.3
254	D	27	Very low	27.8	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	77%	0.765	S	S	*	*			trans	-66.7	145.6	153.1	-84.8	-78.4	0	0	0	111.1
255	T	28.1	Very low	27.9	Very low	133 Å²	133	142 Å²	142	82%	0.816	77%	0.772	S	S	*	*			trans	-134.3	101.1	158.7	55.5	0	0	0	0	110.7
256	K	32	Very low	27.7	Very low	183 Å²	183	136.5 Å²	136.5	80%	0.796	77%	0.767	S	S	*	*			trans	-91.9	137	162.6	-73.4	178.9	177.8	174.3	0	109.6
257	N	25.5	Very low	27	Very low	157 Å²	157	138.1 Å²	138.1	84%	0.84	77%	0.767	S	S	*	*			trans	169.3	131.2	139.3	-81.9	-18.6	0	0	0	106.9
258	A	26.2	Very low	26.6	Very low	72 Å²	72	137.7 Å²	137.7	60%	0.595	77%	0.767	S	S	*	*			cis	94.8	133.3	27.4	0	0	0	0	0	114
259	F	21.9	Very low	26.2	Very low	215 Å²	215	138.6 Å²	138.6	94%	0.943	76%	0.761	S	S	*	*			trans	66.4	153.6	-177.6	-59	-81.5	0	0	0	115.2
260	A	25.6	Very low	26.2	Very low	81 Å²	81	139 Å²	139	67%	0.669	76%	0.757	S	S	*	*			cis	-155.7	134.5	-12.7	0	0	0	0	0	106.7
261	D	24.3	Very low	26.4	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	76%	0.755	S	S	*	*				79.8	161	79.4	-159.6	15.2	0	0	0	114.2
262	L	26.3	Very low	26.1	Very low	141 Å²	141	137.5 Å²	137.5	74%	0.738	75%	0.75	S	S	*	*			trans	73.8	144.8	-177.5	-68.8	97.5	0	0	0	118.1
263	S	26.1	Very low	27.2	Very low	77 Å²	77	135 Å²	135	54%	0.538	74%	0.744	S	S	.	*			cis	-169.7	164.1	-19.9	61.4	0	0	0	0	113
264	K	30.2	Very low	28.5	Very low	191 Å²	191	134.5 Å²	134.5	83%	0.83	74%	0.743	S	S	*	*			trans	65.8	153.9	156	-68.8	159.1	-174.3	171.5	0	116.4
265	S	24.6	Very low	28.5	Very low	120 Å²	120	135 Å²	135	84%	0.839	74%	0.74	S	S	*	*			cis	-164.4	162.5	-10.3	40.7	0	0	0	0	106.9
266	G	24.7	Very low	28.3	Very low	68 Å²	68	135.2 Å²	135.2	70%	0.701	74%	0.736	S	S	*	*			cis	153.8	-177.4	5.3	0	0	0	0	0	109.5
267	I	26	Very low	28.1	Very low	155 Å²	155	129.2 Å²	129.2	80%	0.795	73%	0.726	S	S	*	*			trans	82	111	160.7	-59.5	176.8	0	0	0	119.7
268	H	26.4	Very low	28.3	Very low	148 Å²	148	127.6 Å²	127.6	69%	0.685	72%	0.722	S	S	*	*			trans	44.7	155.5	134.4	-63.3	-100.9	0	0	0	122.1
269	H	26.8	Very low	28.4	Very low	141 Å²	141	132 Å²	132	65%	0.653	74%	0.736	S	S	*	*			cis	-155.6	-176.4	-3.1	-129.1	-9.5	0	0	0	114.6
270	K	26.7	Very low	28.7	Very low	149 Å²	149	124.9 Å²	124.9	65%	0.648	72%	0.723	S	S	*	*			trans	-49.7	152.3	175.9	-50.3	152.6	178.7	173.1	0	115.3
271	H	26.2	Very low	28.9	Very low	176 Å²	176	129.1 Å²	129.1	82%	0.815	73%	0.732	S	S	*	*				177.4	165.7	102.8	-105.3	-78	0	0	0	115.4
272	C	23.9	Very low	29	Very low	106 Å²	106	132.1 Å²	132.1	72%	0.716	73%	0.733	S	S	*	*			trans	-169.3	162.6	175.5	-166.8	0	0	0	0	106.7
273	P	45.8	Very low	29.1	Very low	113 Å²	113	130 Å²	130	73%	0.734	74%	0.736	S	S	*	*			cis	-109.3	-126.9	-29.6	29.2	-5.6	0	0	0	107.7
274	P	55.1	Low	29.2	Very low	100 Å²	100	130.9 Å²	130.9	65%	0.649	73%	0.734	S	S	*	*			cis	-134.7	-158.1	-29.8	37.7	-16.1	0	0	0	114.2
275	H	26.1	Very low	29	Very low	162 Å²	162	132.1 Å²	132.1	75%	0.75	74%	0.735	S	S	*	*			trans	74	149.4	160.2	-90.8	-111.4	0	0	0	118
276	D	24.1	Very low	29.1	Very low	138 Å²	138	130.4 Å²	130.4	74%	0.738	73%	0.728	S	S	*	*			cis	-156.5	164.8	-6.7	-152.3	-10.6	0	0	0	113
277	G	27.3	Very low	29.3	Very low	57 Å²	57	138.5 Å²	138.5	59%	0.588	74%	0.738	S	S	*	*			trans	80.9	155.4	148.6	0	0	0	0	0	119.3
278	T	29.1	Very low	29.3	Very low	123 Å²	123	135.1 Å²	135.1	76%	0.755	73%	0.733	S	S	*	*			cis	-163.8	146.8	-14.6	24.5	0	0	0	0	109.2
279	N	29.9	Very low	29.3	Very low	164 Å²	164	136.7 Å²	136.7	88%	0.877	75%	0.745	S	S	*	*			trans	64	137.6	161	-55.9	-26.5	0	0	0	118.9
280	G	27.8	Very low	29.2	Very low	65 Å²	65	133 Å²	133	67%	0.67	75%	0.746	S	S	*	*			cis	168.3	177	-7.6	0	0	0	0	0	113.8
281	I	29.2	Very low	29.1	Very low	170 Å²	170	133.1 Å²	133.1	87%	0.872	76%	0.759	S	S	*	*			trans	65.6	100.5	168.2	-48.2	179.5	0	0	0	114.1
282	R	26.2	Very low	29	Very low	210 Å²	210	128.2 Å²	128.2	79%	0.792	76%	0.757	S	S	*	*			cis	85.6	97.8	49.4	-172.2	-160.9	179.3	175.3	4.7	114.6	D284	R282-D284 WeakPolarHBondContact CG-OD2 2.84Å; R282-D284 IonicContact CZ-OD2 3.86Å; R282-D284 IonicContact NE-OD2 3.65Å; R282-D284 PolarHBondContact NE-OD2 3.42Å; R282-D284 IonicContact NH2-OD2 3.84Å
283	A	29.5	Very low	29.2	Very low	97 Å²	97	128.7 Å²	128.7	80%	0.802	76%	0.761	S	S	*	*				-166	129.2	126.3	0	0	0	0	0	107.1
284	D	27	Very low	28.5	Very low	95 Å²	95	129.7 Å²	129.7	51%	0.508	77%	0.77	S	S	.	*			cis	108.5	118	26.3	-81.7	-29.3	0	0	0	111.4	R282	R282-D284 WeakPolarHBondContact CG-OD2 2.84Å; R282-D284 IonicContact CZ-OD2 3.86Å; R282-D284 IonicContact NE-OD2 3.65Å; R282-D284 PolarHBondContact NE-OD2 3.42Å; R282-D284 IonicContact NH2-OD2 3.84Å
285	Y	26.4	Very low	27.2	Very low	217 Å²	217	128 Å²	128	85%	0.851	77%	0.771	S	S	*	*			trans	67.4	161.2	170.6	-52.2	-71.8	0	0	0	119.4
286	A	27	Very low	27.4	Very low	84 Å²	84	127.6 Å²	127.6	69%	0.694	77%	0.773	S	S	*	*			cis	-164.6	162	-37.1	0	0	0	0	0	113.1
287	R	28.2	Very low	27.7	Very low	239 Å²	239	127.4 Å²	127.4	90%	0.902	77%	0.771	S	S	*	*			trans	-10	143.3	162.8	-69.6	-172.3	179.7	96	-0.2	122.3
288	A	26.7	Very low	27.7	Very low	84 Å²	84	132.9 Å²	132.9	69%	0.694	78%	0.781	S	S	*	*				96.8	128.7	125.7	0	0	0	0	0	123.1
289	L	27.2	Very low	27.6	Very low	180 Å²	180	130.9 Å²	130.9	94%	0.942	77%	0.772	S	S	*	*				45.8	135.2	128.2	-56	172.1	0	0	0	122.1
290	G	24.5	Very low	27.5	Very low	65 Å²	65	128.9 Å²	128.9	67%	0.67	77%	0.765	S	S	*	*			trans	122.7	118.1	165.4	0	0	0	0	0	111.6
291	T	24.3	Very low	27.6	Very low	150 Å²	150	131.2 Å²	131.2	92%	0.92	77%	0.767	S	S	*	*			cis	76.3	120.1	49.8	68.6	0	0	0	0	115.1
292	G	23.7	Very low	27.5	Very low	74 Å²	74	132.1 Å²	132.1	76%	0.763	77%	0.765	S	S	*	*			trans	98.1	117.1	177.2	0	0	0	0	0	113
293	S	28.5	Very low	27.5	Very low	115 Å²	115	126 Å²	126	80%	0.804	76%	0.759	S	S	*	*			cis	92.4	95.6	12.3	91.7	0	0	0	0	117.9
294	S	30.3	Very low	27.3	Very low	134 Å²	134	126.7 Å²	126.7	94%	0.937	76%	0.758	S	S	*	*			trans	173.3	153.3	153.3	-78.6	0	0	0	0	107.5
295	G	29	Very low	27.5	Very low	65 Å²	65	132.6 Å²	132.6	67%	0.67	77%	0.773	S	S	*	*			cis	-173.8	154.9	-5.8	0	0	0	0	0	105.8
296	I	29.9	Very low	27.6	Very low	154 Å²	154	129.6 Å²	129.6	79%	0.79	77%	0.767	S	S	*	*				-177.8	115.1	69.5	-84.1	152.4	0	0	0	104.1
297	I	30.4	Very low	27.8	Very low	134 Å²	134	133.7 Å²	133.7	69%	0.687	78%	0.776	S	S	*	*				55.8	113.5	89	-47.3	162.3	0	0	0	111.6
298	H	27.4	Very low	27.8	Very low	172 Å²	172	125.5 Å²	125.5	80%	0.796	77%	0.765	S	S	*	*				-163.8	157.8	79.6	-90.8	-95.7	0	0	0	110
299	S	26.7	Very low	28.1	Very low	80 Å²	80	132.3 Å²	132.3	56%	0.559	77%	0.773	S	S	*	*			cis	-172.8	155.6	-13.7	49.3	0	0	0	0	112.2
300	T	28	Very low	28.1	Very low	122 Å²	122	130 Å²	130	75%	0.748	76%	0.762	S	S	*	*			trans	61.7	139.8	152.6	50.6	0	0	0	0	119.5
301	T	28.9	Very low	28.3	Very low	114 Å²	114	134 Å²	134	70%	0.699	77%	0.768	S	S	*	*			cis	-159	143.5	6.6	2.5	0	0	0	0	112.1
302	F	26.8	Very low	28.6	Very low	190 Å²	190	134.3 Å²	134.3	83%	0.833	76%	0.759	S	S	*	*			trans	21.4	131.1	144.1	-73.8	-97.2	0	0	0	120.5
303	A	26.5	Very low	29	Very low	80 Å²	80	136.2 Å²	136.2	66%	0.661	75%	0.749	S	S	*	*			cis	67.4	138.2	28.5	0	0	0	0	0	115.3
304	S	26.5	Very low	29.2	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	74%	0.743	S	S	*	*			cis	-169.8	172.5	-9.9	-103.6	0	0	0	0	110.4
305	R	30.3	Very low	29.3	Very low	219 Å²	219	140.9 Å²	140.9	83%	0.826	73%	0.733	S	S	*	*			trans	79.3	112.6	161	-85.2	-171.6	153	140.3	-0.5	122.2
306	E	29.4	Very low	29.3	Very low	154 Å²	154	143.7 Å²	143.7	72%	0.72	73%	0.729	S	S	*	*				56.5	150.6	115	-61.4	177.6	142.5	0	0	123.7
307	I	30	Very low	29.3	Very low	170 Å²	170	139.4 Å²	139.4	87%	0.872	72%	0.722	S	S	*	*			trans	89.1	105.9	161.6	-45.9	-176.6	0	0	0	118.7
308	G	29	Very low	29.2	Very low	67 Å²	67	141.5 Å²	141.5	69%	0.691	73%	0.729	S	S	*	*				113.1	105.6	120.9	0	0	0	0	0	121.8
309	R	31.8	Very low	29.4	Very low	226 Å²	226	141.9 Å²	141.9	85%	0.853	73%	0.731	S	S	*	*			trans	65	116.8	141.4	-59.6	-164.5	-161	-173.5	5.5	122.8
310	D	27.4	Very low	29.3	Very low	133 Å²	133	141.5 Å²	141.5	71%	0.711	74%	0.74	S	S	*	*				69.8	143.7	116.7	-44.4	-29.1	0	0	0	124.2
311	D	29.6	Very low	29.4	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	75%	0.747	S	S	*	*			trans	77.2	113.3	155.8	-67.6	-30.7	0	0	0	124.8
312	E	30.6	Very low	30.3	Very low	157 Å²	157	144.1 Å²	144.1	73%	0.734	75%	0.745	S	S	*	*				44.9	145.6	111.7	-72	-117.9	112.4	0	0	121.7
313	M	31.1	Very low	30.3	Very low	114 Å²	114	142.9 Å²	142.9	56%	0.562	75%	0.745	S	S	*	*			cis	-172.3	163.4	-5.2	-169.3	-142.4	-59.1	0	0	110.8
314	R	33.9	Very low	30.3	Very low	177 Å²	177	142.1 Å²	142.1	67%	0.668	75%	0.745	S	S	*	*			trans	72.2	147.8	153.4	-111.5	-177.4	170	82.3	7.1	118.1	E316	R314-E316 IonicContact CZ-OE1 2.98Å; R314-E316 IonicContact NE-OE1 2.61Å; R314-E316 PolarHBondContact NE-OE1 2.77Å; R314-E316 IonicContact NE-OE2 3.18Å; R314-E316 IonicContact NH2-OE1 2.61Å; R314-E316 PolarHBondContact NH2-OE1 2.78Å
315	K	31.2	Very low	30.4	Very low	170 Å²	170	145.3 Å²	145.3	74%	0.739	75%	0.753	S	S	*	*			cis	-149.6	148.1	39.4	-90.1	-160.5	169	-168.1	0	112.6
316	E	29.3	Very low	30.1	Very low	124 Å²	124	140.1 Å²	140.1	58%	0.579	75%	0.75	S	S	*	*				68	141	76.6	-58.5	173.7	160.4	0	0	115.4	R314	R314-E316 IonicContact CZ-OE1 2.98Å; R314-E316 IonicContact NE-OE1 2.61Å; R314-E316 PolarHBondContact NE-OE1 2.77Å; R314-E316 IonicContact NE-OE2 3.18Å; R314-E316 IonicContact NH2-OE1 2.61Å; R314-E316 PolarHBondContact NH2-OE1 2.78Å
317	G	30.8	Very low	30	Very low	63 Å²	63	137.5 Å²	137.5	65%	0.649	75%	0.749	S	S	*	*			cis	-179.4	-152.5	3.6	0	0	0	0	0	114.4
318	H	28.3	Very low	30	Very low	178 Å²	178	139.5 Å²	139.5	82%	0.824	75%	0.745	S	S	*	*			trans	96.2	142.2	-177.2	-64.6	-76.8	0	0	0	117.7
319	E	30.5	Very low	30	Very low	180 Å²	180	143.5 Å²	143.5	84%	0.841	74%	0.743	S	S	*	*			cis	-166.8	160.6	-35	-130.6	178.7	150.4	0	0	111.9
320	G	26.3	Very low	29.7	Very low	73 Å²	73	143.1 Å²	143.1	75%	0.753	74%	0.742	S	S	*	*			trans	155.6	137.8	171.6	0	0	0	0	0	116.8
321	Q	29.8	Very low	29.5	Very low	191 Å²	191	140.9 Å²	140.9	89%	0.893	74%	0.742	S	S	*	*			trans	-162.1	179.9	-174.2	-115.1	-172.3	9.6	0	0	110.2
322	P	46.9	Very low	29.2	Very low	100 Å²	100	143.7 Å²	143.7	65%	0.649	75%	0.747	S	S	*	*			cis	-136.2	-161.5	-11.9	29.3	-4.1	0	0	0	114.4
323	I	28.2	Very low	30.3	Very low	163 Å²	163	141.5 Å²	141.5	84%	0.836	75%	0.747	S	S	*	*			trans	90.2	126.3	161.4	-51.5	171.6	0	0	0	119.5
324	G	25.3	Very low	30	Very low	65 Å²	65	142 Å²	142	67%	0.67	76%	0.756	S	S	*	*			trans	78.2	143.3	154.4	0	0	0	0	0	117.9
325	L	28.7	Very low	29.6	Very low	180 Å²	180	140.6 Å²	140.6	94%	0.942	76%	0.761	S	S	*	*			cis	-146	171.6	10.7	-80.7	168.3	0	0	0	113.2
326	S	24.6	Very low	29.3	Very low	110 Å²	110	138 Å²	138	77%	0.769	76%	0.76	S	S	*	*			trans	-64	172.8	179.1	-94.9	0	0	0	0	117.6
327	S	27.1	Very low	29.1	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	77%	0.769	S	S	*	*			cis	-173.2	141.2	-21	-100.1	0	0	0	0	113.9
328	R	29.2	Very low	28.9	Very low	212 Å²	212	143.5 Å²	143.5	80%	0.8	77%	0.772	S	S	*	*			trans	37.1	128.3	137.9	-72.9	177.4	168.7	-178.7	-0.1	124.6
329	K	29.7	Very low	28.8	Very low	150 Å²	150	141.7 Å²	141.7	65%	0.652	76%	0.764	S	S	*	*				83.9	130	126	-73.3	177.5	-179.7	-178.3	0	124.3
330	R	25.4	Very low	28.7	Very low	219 Å²	219	138.7 Å²	138.7	83%	0.826	75%	0.75	S	S	*	*				70.3	119.9	129.8	-72	-176	176.9	-178.2	-3.3	124.1
331	A	22.7	Very low	28.7	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	75%	0.747	S	S	*	*				80.3	126.6	117.6	0	0	0	0	0	125
332	F	23.7	Very low	28.4	Very low	207 Å²	207	138.8 Å²	138.8	91%	0.908	73%	0.732	S	S	*	*			trans	67.1	170.1	140.3	-82	-48.6	0	0	0	120.6
333	P	54.6	Low	27.5	Very low	112 Å²	112	141.6 Å²	141.6	73%	0.727	74%	0.74	S	S	*	*			trans	-124.3	176.8	-145.9	45.2	-31.8	0	0	0	115.9
334	V	23.7	Very low	27.3	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	73%	0.731	S	S	*	*			trans	-174.4	133.6	158.3	126	0	0	0	0	107.3
335	L	25.1	Very low	27.4	Very low	147 Å²	147	144.4 Å²	144.4	77%	0.77	74%	0.74	S	S	*	*				48.9	143.3	89.5	-54.9	178.3	0	0	0	113.8
336	T	24.7	Very low	27.2	Very low	117 Å²	117	142 Å²	142	72%	0.718	72%	0.724	S	S	*	*			cis	-159	173.2	9.4	-10.7	0	0	0	0	110.9
337	L	26.8	Very low	27.4	Very low	149 Å²	149	144.9 Å²	144.9	78%	0.78	73%	0.725	S	S	*	*			trans	9.9	150.3	143.1	-113.3	61.8	0	0	0	120.8
338	E	26.1	Very low	27.2	Very low	152 Å²	152	143.6 Å²	143.6	71%	0.71	73%	0.727	S	S	*	*			cis	-125.4	-143.6	17.6	-46	-168.4	134.7	0	0	114
339	H	26.4	Very low	27	Very low	140 Å²	140	139 Å²	139	65%	0.648	73%	0.728	S	S	*	*			cis	-150.6	179.1	10.5	-163.3	65.8	0	0	0	113.6
340	Q	27.4	Very low	26.9	Very low	118 Å²	118	139.7 Å²	139.7	55%	0.551	73%	0.733	S	S	*	*			trans	-75.7	173.7	-179.8	-65.3	166.7	-13.8	0	0	113.2
341	K	25.6	Very low	27	Very low	158 Å²	158	133.6 Å²	133.6	69%	0.687	73%	0.73	S	S	*	*			cis	-173.7	163.8	40.8	-136.2	136.7	-171	153.6	0	110.5
342	D	24.4	Very low	27.2	Very low	108 Å²	108	136.6 Å²	136.6	58%	0.578	73%	0.729	S	S	*	*			cis	-170.3	148.3	-34.1	-98	-1.8	0	0	0	109.6
343	L	27.1	Very low	27.5	Very low	158 Å²	158	133.4 Å²	133.4	83%	0.827	72%	0.722	S	S	*	*			trans	60	171.4	165.7	-79.8	83.8	0	0	0	118.6
344	S	25.2	Very low	26.2	Very low	93 Å²	93	134.6 Å²	134.6	65%	0.65	72%	0.722	S	S	*	*			cis	-174.5	163.6	-40.7	-86.2	0	0	0	0	110.9
345	K	28.1	Very low	26.6	Very low	195 Å²	195	135.4 Å²	135.4	85%	0.848	72%	0.721	S	S	*	*			trans	68.9	165.2	162.3	-71.1	-160.7	153.6	-162.2	0	117.4
346	E	24.6	Very low	26.7	Very low	130 Å²	130	135.3 Å²	135.3	61%	0.607	72%	0.72	S	S	*	*			cis	-167.7	158.8	-20.7	-100.9	-81.4	-154.9	0	0	110.3
347	H	27	Very low	26.8	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.787	72%	0.723	S	S	*	*			trans	59.2	167.8	163.1	-66.1	27	0	0	0	118.5
348	G	23.2	Very low	26.8	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	72%	0.719	S	S	*	*			cis	145.4	73.6	-17.4	0	0	0	0	0	118.1
349	S	26.3	Very low	26.8	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	72%	0.72	S	S	*	*			trans	179.6	143.4	162.8	51.4	0	0	0	0	109.2
350	Q	26.2	Very low	26.9	Very low	163 Å²	163	141.6 Å²	141.6	76%	0.762	73%	0.729	S	S	*	*			cis	88.1	101.3	20.9	-163.8	173.5	-2.7	0	0	116.8	E352	Q350-E352 PolarHBondContact NE2-OE1 2.73Å
351	A	27.6	Very low	27.4	Very low	92 Å²	92	141.6 Å²	141.6	76%	0.76	74%	0.74	S	S	*	*			trans	-172.1	134.7	157.4	0	0	0	0	0	105.7
352	E	28.3	Very low	27.5	Very low	147 Å²	147	142.2 Å²	142.2	69%	0.687	75%	0.749	S	S	*	*			cis	72	125	24.6	-53.3	178	-142.2	0	0	112.2	Q350	Q350-E352 PolarHBondContact NE2-OE1 2.73Å
353	D	29.2	Very low	27.5	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	76%	0.757	S	S	*	*			cis	-156.2	-160.2	-2	-151.6	-23.7	0	0	0	110.2
354	D	26.9	Very low	27.4	Very low	137 Å²	137	140.7 Å²	140.7	73%	0.733	76%	0.757	S	S	*	*			trans	73	160.9	160.1	-73	-34.6	0	0	0	120
355	L	31.6	Very low	27.5	Very low	140 Å²	140	141.3 Å²	141.3	73%	0.733	76%	0.762	S	S	*	*			cis	-165.5	-179.3	-48	-148.3	107.7	0	0	0	108.9
356	I	27.3	Very low	27.4	Very low	145 Å²	145	137.2 Å²	137.2	74%	0.744	76%	0.764	S	S	*	*			trans	69.3	110.3	170.8	-50.9	176.3	0	0	0	114.2
357	H	28.1	Very low	27.5	Very low	170 Å²	170	134.4 Å²	134.4	79%	0.787	77%	0.77	S	S	*	*			cis	87.4	136.7	42.6	-155.5	-37.2	0	0	0	114
358	Q	25.9	Very low	27.8	Very low	149 Å²	149	137.8 Å²	137.8	70%	0.696	78%	0.776	S	S	*	*			trans	106.7	127.2	159.1	-61.3	-165.4	6.2	0	0	122.4
359	H	27	Very low	28.2	Very low	160 Å²	160	143 Å²	143	74%	0.741	78%	0.778	S	S	*	*			trans	60.1	113.3	143	-63.7	-55.6	0	0	0	124.7
360	Y	29	Very low	28.1	Very low	211 Å²	211	142.7 Å²	142.7	83%	0.827	78%	0.776	S	S	*	*			trans	-55.6	150.8	141.3	-96.6	-88.1	0	0	0	111.7
361	P	36.1	Very low	28.4	Very low	119 Å²	119	141.7 Å²	141.7	77%	0.773	78%	0.776	S	S	*	*				-140.8	177.5	104.6	38.2	-25.6	0	0	0	115.5
362	L	29.3	Very low	28.4	Very low	171 Å²	171	145.2 Å²	145.2	90%	0.895	78%	0.778	S	S	*	*			trans	-86.4	148.1	175.9	-62.7	145.2	0	0	0	111.1
363	G	23.8	Very low	28.2	Very low	72 Å²	72	142 Å²	142	74%	0.742	77%	0.773	S	S	*	*			trans	176.9	62.1	176.7	0	0	0	0	0	121.5
364	I	25	Very low	28.2	Very low	161 Å²	161	140.3 Å²	140.3	83%	0.826	77%	0.771	S	S	*	*			trans	42.2	122.7	133.5	-60.1	171.8	0	0	0	121.5
365	S	26.3	Very low	28.8	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	77%	0.774	S	S	*	*			trans	96.8	114.4	141.2	72.9	0	0	0	0	125.1
366	A	26.9	Very low	28.8	Very low	109 Å²	109	140.8 Å²	140.8	90%	0.901	78%	0.776	S	S	*	*				63.9	135.8	120.9	0	0	0	0	0	124
367	G	26.5	Very low	28.9	Very low	71 Å²	71	138.3 Å²	138.3	73%	0.732	77%	0.771	S	S	*	*			trans	-166.4	27.3	-178.9	0	0	0	0	0	124.3
368	R	33.2	Very low	29.5	Very low	240 Å²	240	135.5 Å²	135.5	91%	0.906	77%	0.768	S	S	*	*			trans	67.3	168.5	160	-58.9	176.8	179.7	-165.4	1.2	119
369	K	30.8	Very low	29.6	Very low	180 Å²	180	135 Å²	135	78%	0.783	77%	0.77	S	S	*	*			cis	-169.7	142.9	-41.6	-103.5	-178.4	178.9	-174.5	0	110.8
370	S	25.9	Very low	29.6	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	77%	0.774	S	S	*	*			trans	174.2	121.4	144.4	-89.3	0	0	0	0	108.5
371	L	30.8	Very low	29.6	Very low	142 Å²	142	130.3 Å²	130.3	74%	0.743	76%	0.762	S	S	*	*				72.8	125.7	61.4	-63.9	176.2	0	0	0	111.9
372	M	28.2	Very low	29.2	Very low	166 Å²	166	131.5 Å²	131.5	82%	0.818	76%	0.762	S	S	*	*			cis	-151.5	177.6	16.2	-85.8	-139.7	-174.7	0	0	111.3
373	S	25.3	Very low	29	Very low	81 Å²	81	129.7 Å²	129.7	57%	0.566	76%	0.762	S	S	*	*			cis	-179	145.3	-29.9	-80.1	0	0	0	0	111.7
374	S	27.4	Very low	29.1	Very low	104 Å²	104	135 Å²	135	73%	0.727	77%	0.768	S	S	*	*			trans	60.2	158.6	148.9	-65.2	0	0	0	0	122.7
375	P	41.1	Very low	30.3	Very low	121 Å²	121	132 Å²	132	79%	0.786	76%	0.758	S	S	*	*			cis	-125	163.6	8	39.7	-24.7	0	0	0	118.4
376	Q	30	Very low	30.1	Very low	166 Å²	166	134.3 Å²	134.3	78%	0.776	76%	0.762	S	S	*	*			trans	-70	-178.9	168.2	-92.2	91.1	-10.1	0	0	113.8
377	S	30.2	Very low	30	Very low	93 Å²	93	134.4 Å²	134.4	65%	0.65	76%	0.756	S	S	*	*			cis	-164	-174.1	27.3	-130	0	0	0	0	110.1
378	P	40.3	Very low	31.6	Very low	111 Å²	111	136.4 Å²	136.4	72%	0.721	76%	0.756	S	S	*	*			cis	-136.1	148.4	13.5	38.7	-18.1	0	0	0	120.1
379	L	28.8	Very low	31.2	Very low	138 Å²	138	131.3 Å²	131.3	72%	0.723	75%	0.752	S	S	*	*				30.9	122.8	128.2	-58.8	175.4	0	0	0	120.4
380	K	27.3	Very low	31	Very low	191 Å²	191	130.8 Å²	130.8	83%	0.83	75%	0.752	S	S	*	*				66.8	144.1	88.5	-76.2	-161.5	-179.8	-171	0	115.9
381	S	29.2	Very low	31.2	Very low	83 Å²	83	129.9 Å²	129.9	58%	0.58	75%	0.746	S	S	*	*			cis	-168.6	175	-10.4	47.9	0	0	0	0	112.1
382	D	27.8	Very low	31.1	Very low	143 Å²	143	128.3 Å²	128.3	77%	0.765	75%	0.747	S	S	*	*			trans	82.8	144.8	153.7	-52.3	-50.8	0	0	0	123.3
383	C	24.4	Very low	30.9	Very low	133 Å²	133	124.8 Å²	124.8	90%	0.899	74%	0.739	S	S	*	*			trans	69.1	140.3	158.2	-70.1	0	0	0	0	124.3
384	Q	25.8	Very low	31.5	Very low	185 Å²	185	125.7 Å²	125.7	86%	0.864	75%	0.745	S	S	*	*			trans	-85.6	176.8	160.9	-99.7	-173	-27.7	0	0	110.7
385	P	49.7	Very low	32	Very low	96 Å²	96	129.7 Å²	129.7	62%	0.623	75%	0.749	S	S	*	*			cis	-132.7	-159.6	-11.8	27.8	-3.4	0	0	0	112.7
386	N	22.6	Very low	31.4	Very low	157 Å²	157	131.1 Å²	131.1	84%	0.84	75%	0.751	S	S	*	*			trans	107.8	146.5	154.8	-60	-17.9	0	0	0	119.3
387	S	24.8	Very low	31.3	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	75%	0.751	S	S	*	*			trans	-143.8	-177.6	178.5	58.2	0	0	0	0	107.4
388	P	59.7	Low	31.2	Very low	113 Å²	113	128.5 Å²	128.5	73%	0.734	76%	0.756	S	S	*	*			cis	-129.2	165.2	-47.1	34.7	-19.8	0	0	0	113.5
389	T	25.6	Very low	30.6	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	76%	0.762	S	S	*	*			trans	-159.2	175.6	174	46.4	0	0	0	0	108.7
390	E	26.8	Very low	30.7	Very low	169 Å²	169	128.4 Å²	128.4	79%	0.79	76%	0.756	S	S	*	*			cis	-174	164.6	-37.7	-95	-147.4	81.6	0	0	105.3
391	S	29.6	Very low	30.8	Very low	93 Å²	93	126.7 Å²	126.7	65%	0.65	75%	0.751	S	S	*	*			cis	-169.5	-179.2	-16.4	-99.6	0	0	0	0	107.1
392	S	29.3	Very low	30.9	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	76%	0.763	S	S	*	*			cis	-133.7	-120.9	11.7	50.6	0	0	0	0	110.9
393	S	24.2	Very low	30.8	Very low	93 Å²	93	127.3 Å²	127.3	65%	0.65	76%	0.764	S	S	*	*			cis	-155.2	133.2	8.4	-166.3	0	0	0	0	113
394	S	37.1	Very low	30.9	Very low	100 Å²	100	125.2 Å²	125.2	70%	0.699	76%	0.764	S	S	*	*			trans	47.6	138.7	136.5	-46.7	0	0	0	0	121.5
395	K	38.8	Very low	30.9	Very low	187 Å²	187	120.2 Å²	120.2	81%	0.813	76%	0.763	S	S	*	*			cis	-164.5	167.7	18.7	-139.7	174.2	-172.8	176.3	0	113.8
396	N	28.1	Very low	29.9	Very low	152 Å²	152	124.5 Å²	124.5	81%	0.813	78%	0.775	S	S	*	*			trans	97.3	149.4	163.2	-59.5	-6.1	0	0	0	117.6
397	A	27.9	Very low	30.1	Very low	96 Å²	96	122.4 Å²	122.4	79%	0.793	77%	0.767	S	S	*	*			trans	-158.6	168.9	-153.7	0	0	0	0	0	114
398	S	26.7	Very low	30.2	Very low	107 Å²	107	124.1 Å²	124.1	75%	0.748	77%	0.774	S	S	*	*			trans	-170.8	133.7	149	-82.9	0	0	0	0	112.8
399	L	28.3	Very low	28.8	Very low	161 Å²	161	128.4 Å²	128.4	84%	0.843	78%	0.784	S	S	*	*			trans	46.1	142.8	139.7	-58.6	166.4	0	0	0	121.4
400	S	30.3	Very low	28.8	Very low	87 Å²	87	125.5 Å²	125.5	61%	0.608	78%	0.78	S	S	*	*			cis	-171	164.6	-9.6	52.7	0	0	0	0	114
401	H	30.9	Very low	29.1	Very low	155 Å²	155	124.4 Å²	124.4	72%	0.718	79%	0.785	S	S	*	*			trans	69.8	111.9	154	-72	-61.7	0	0	0	125.1
402	I	29.8	Very low	29	Very low	163 Å²	163	125.7 Å²	125.7	84%	0.836	79%	0.791	S	S	*	*				63.7	134.3	121	-65.4	176.5	0	0	0	121.3
403	G	26.9	Very low	28.9	Very low	76 Å²	76	125.4 Å²	125.4	78%	0.784	78%	0.781	S	S	*	*			trans	147.3	100.5	145	0	0	0	0	0	115.1
404	G	26.1	Very low	29.2	Very low	88 Å²	88	127.3 Å²	127.3	91%	0.907	79%	0.791	S	S	*	*			trans	-115.8	155.6	174.8	0	0	0	0	0	113.2
405	G	26.4	Very low	29	Very low	81 Å²	81	130.1 Å²	130.1	84%	0.835	79%	0.791	S	S	*	*			trans	177.6	147.3	176.3	0	0	0	0	0	111
406	Q	27.3	Very low	28.5	Very low	185 Å²	185	125.9 Å²	125.9	86%	0.864	79%	0.791	S	S	*	*			trans	-146.1	147	-168.2	-145.5	-167.8	10.9	0	0	112.9
407	V	28.2	Very low	28.5	Very low	114 Å²	114	129.7 Å²	129.7	69%	0.691	79%	0.794	S	S	*	*			trans	63.1	111.9	163.6	-155.3	0	0	0	0	119
408	T	26.4	Very low	28.4	Very low	146 Å²	146	131.4 Å²	131.4	90%	0.896	79%	0.789	S	S	*	*				-176.6	172.6	118	28.6	0	0	0	0	111.3
409	Q	30.1	Very low	28.3	Very low	202 Å²	202	138.8 Å²	138.8	94%	0.944	80%	0.801	S	S	*	*			trans	-89.8	147	-158.8	-65	169.3	-47.6	0	0	115.1
410	G	24.9	Very low	28.2	Very low	72 Å²	72	140.9 Å²	140.9	74%	0.742	80%	0.804	S	S	*	*			trans	-168.7	135.5	165.4	0	0	0	0	0	110.6
411	T	34.1	Very low	28	Very low	146 Å²	146	146.3 Å²	146.3	90%	0.896	82%	0.816	S	S	*	*			trans	-91.1	145.3	-174	44.2	0	0	0	0	113.3
412	P	27.8	Very low	27.8	Very low	120 Å²	120	149.9 Å²	149.9	78%	0.779	83%	0.825	S	S	*	*			trans	-142.6	136.1	144.9	34.8	-18.9	0	0	0	116.6
413	D	27.5	Very low	27.6	Very low	103 Å²	103	150.4 Å²	150.4	55%	0.551	82%	0.821	S	S	*	*			trans	27.4	115.3	138.9	-168.7	24.5	0	0	0	120.9	K415	D413-K415 PolarHBondContact O-N 3.07Å; D413-K415 VanDerWaalsContact O-N 3.13Å; D413-K415 IonicContact OD1-NZ 3.6Å; D413-K415 PolarHBondContact OD1-NZ 3.41Å; D413-K415 IonicContact OD2-NZ 3.4Å; D413-K415 PolarHBondContact OD2-NZ 3.3Å
414	P	30.1	Very low	27.4	Very low	132 Å²	132	156.8 Å²	156.8	86%	0.857	83%	0.828	S	S	*	*			trans	-84.4	81.2	179.6	35.2	-35.8	0	0	0	114
415	K	31.6	Very low	27.4	Very low	160 Å²	160	158.7 Å²	158.7	70%	0.696	82%	0.816	S	S	*	*			trans	-114	74.1	173.3	-72.6	-169.4	-178	64.1	0	115	D413	D413-K415 PolarHBondContact O-N 3.07Å; D413-K415 VanDerWaalsContact O-N 3.13Å; D413-K415 IonicContact OD1-NZ 3.6Å; D413-K415 PolarHBondContact OD1-NZ 3.41Å; D413-K415 IonicContact OD2-NZ 3.4Å; D413-K415 PolarHBondContact OD2-NZ 3.3Å
416	A	29.1	Very low	27.4	Very low	97 Å²	97	161.3 Å²	161.3	80%	0.802	82%	0.815	S	S	*	*			trans	-162.5	74.4	165.2	0	0	0	0	0	116.2
417	R	28.9	Very low	27.4	Very low	232 Å²	232	160 Å²	160	88%	0.875	81%	0.813	S	S	*	*			trans	-162.7	146	152.1	-123.3	179.4	167.6	141.1	-1	116.3
418	N	25.7	Very low	27.2	Very low	132 Å²	132	161.8 Å²	161.8	71%	0.706	82%	0.819	S	S	*	*			trans	65	80	153.8	-60.5	-21.6	0	0	0	120.3
419	W	23.9	Very low	27.3	Very low	262 Å²	262	164.4 Å²	164.4	99%	0.992	82%	0.821	S	S	*	*			trans	-110.8	87.2	147.2	-80.7	-25.8	0	0	0	111.8
420	K	26.7	Very low	27.2	Very low	206 Å²	206	160.5 Å²	160.5	90%	0.896	82%	0.816	S	S	*	*			trans	-146	70.9	158.9	-72	-159.9	-177.6	-173.3	0	110.7
421	K	26.3	Very low	27.3	Very low	201 Å²	201	162 Å²	162	87%	0.874	82%	0.822	S	S	*	*			trans	-123.4	91.1	174.7	-176	174.8	-177.1	174.8	0	109.3
422	Y	25.7	Very low	27.2	Very low	229 Å²	229	164.7 Å²	164.7	90%	0.898	82%	0.821	S	S	*	*			trans	-111.8	108	172.6	-85.2	-72.5	0	0	0	111.2
423	K	25.2	Very low	27.2	Very low	174 Å²	174	166.1 Å²	166.1	76%	0.757	82%	0.822	S	S	*	*			trans	-82.1	127.5	171.2	-179.5	-179.5	-179.2	178.6	0	107.3	I425	K423-I425 PolarHBondContact O-N 2.59Å
424	F	22.7	Very low	27.2	Very low	210 Å²	210	169.5 Å²	169.5	92%	0.921	84%	0.84	S	S	*	*			trans	-65.2	117.5	172.4	-83	-89.6	0	0	0	109.6
425	I	26.5	Very low	27.1	Very low	129 Å²	129	171.9 Å²	171.9	66%	0.662	84%	0.84	S	S	*	*			trans	-116	136.2	164	-65	178.7	0	0	0	106.3	K423	K423-I425 PolarHBondContact O-N 2.59Å
426	V	26.6	Very low	27	Very low	135 Å²	135	168.6 Å²	168.6	82%	0.818	84%	0.843	S	S	*	*			trans	-88.8	119.9	177.6	175.6	0	0	0	0	108.7
427	L	26.3	Very low	26.9	Very low	158 Å²	158	167.9 Å²	167.9	83%	0.827	84%	0.844	S	S	*	*			trans	-136.8	128	160.6	-75.3	178	0	0	0	110
428	N	25.3	Very low	26.9	Very low	152 Å²	152	164.5 Å²	164.5	81%	0.813	84%	0.843	S	S	*	*			trans	-89.5	129	156.3	-87.4	-15.8	0	0	0	107.1
429	Q	29.1	Very low	27	Very low	200 Å²	200	169.7 Å²	169.7	94%	0.935	85%	0.853	S	S	*	*				171.9	157	123	-94.9	167	-4.2	0	0	110.2
430	S	26.9	Very low	27	Very low	120 Å²	120	164.2 Å²	164.2	84%	0.839	84%	0.843	S	S	*	*			trans	-130.1	121.6	177.7	55.7	0	0	0	0	109.2
431	A	28.1	Very low	28.1	Very low	105 Å²	105	159.8 Å²	159.8	87%	0.868	84%	0.835	S	S	*	*			trans	-123	152.6	160.3	0	0	0	0	0	107.5
432	K	30.7	Very low	28	Very low	202 Å²	202	153.7 Å²	153.7	88%	0.878	83%	0.829	S	S	*	*			trans	-93.4	160.1	175.8	-78.9	-172.3	173.1	-173.3	0	111.1
433	D	28.8	Very low	28.1	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	83%	0.827	S	S	*	*			trans	-67.5	154.6	177.1	-37.7	-96.9	0	0	0	112.7
434	D	26.6	Very low	28.2	Very low	173 Å²	173	153.2 Å²	153.2	93%	0.925	83%	0.833	S	S	*	*			trans	-152.9	168	140.9	-102.4	-37.4	0	0	0	108.6
435	E	29.6	Very low	28.2	Very low	182 Å²	182	148.3 Å²	148.3	85%	0.85	82%	0.824	S	S	*	*			trans	-97.6	162.2	-143.6	-139.7	-153.3	143.2	0	0	118.8
436	A	28.1	Very low	29.3	Very low	92 Å²	92	147.1 Å²	147.1	76%	0.76	83%	0.825	S	S	*	*			trans	70.5	134.5	149.4	0	0	0	0	0	121.1
437	G	27	Very low	29.3	Very low	81 Å²	81	149.7 Å²	149.7	84%	0.835	83%	0.828	S	S	*	*			trans	165.3	103.9	169.5	0	0	0	0	0	115.1
438	L	29.1	Very low	29.4	Very low	161 Å²	161	153.5 Å²	153.5	84%	0.843	83%	0.831	S	S	*	*			trans	-74.7	150.3	-173	-125	70	0	0	0	115.7
439	R	27.7	Very low	29.5	Very low	241 Å²	241	154.8 Å²	154.8	91%	0.909	84%	0.837	S	S	*	*			trans	91.1	149.4	149	-73.5	178.8	162.1	-147.8	-6	122.3
440	D	24.7	Very low	29.3	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	82%	0.824	S	S	*	*			trans	-135.8	174.8	-172.3	-178.9	53.5	0	0	0	106.8
441	P	48.4	Very low	29.4	Very low	113 Å²	113	151.4 Å²	151.4	73%	0.734	83%	0.83	S	S	*	*			cis	-120.1	178.1	-16.3	15.7	9.3	0	0	0	114.4
442	G	25.3	Very low	29.3	Very low	73 Å²	73	153.9 Å²	153.9	75%	0.753	82%	0.824	S	S	*	*			trans	-137.8	-10	-169.1	0	0	0	0	0	122.5
443	L	27.5	Very low	29.7	Very low	162 Å²	162	149.8 Å²	149.8	85%	0.848	82%	0.818	S	S	*	*			trans	64.1	150.6	169	-74.2	170.2	0	0	0	122.4
444	R	26.8	Very low	29.6	Very low	231 Å²	231	151.7 Å²	151.7	87%	0.872	82%	0.815	S	S	*	*			trans	69.2	106.7	157.4	-71.4	175.7	-170.7	-86	1	121.8
445	S	22.9	Very low	29.7	Very low	106 Å²	106	149.7 Å²	149.7	74%	0.741	80%	0.803	S	S	*	*			trans	-95.6	-166.2	139.3	64.9	0	0	0	0	109.2
446	P	49.2	Very low	29.6	Very low	104 Å²	104	148.7 Å²	148.7	68%	0.675	80%	0.798	S	S	*	*			cis	-132.6	-179.7	-14.7	34.2	-14.2	0	0	0	113.9
447	Q	27.8	Very low	30.1	Very low	190 Å²	190	150.1 Å²	150.1	89%	0.888	80%	0.8	S	S	*	*				174.5	164.4	116.5	-94.5	-179.4	-8.1	0	0	114.3
448	R	28.9	Very low	29.9	Very low	237 Å²	237	149.4 Å²	149.4	89%	0.894	79%	0.792	S	S	*	*			trans	-97.7	159.3	176.7	-63	176.2	171.9	-176.5	-1.9	111
449	L	27	Very low	29.6	Very low	179 Å²	179	149.1 Å²	149.1	94%	0.937	79%	0.792	S	S	*	*				-172.2	173.6	114.3	-97.7	163.8	0	0	0	109.4
450	G	25.1	Very low	29.6	Very low	63 Å²	63	142.9 Å²	142.9	65%	0.649	79%	0.785	S	S	*	*			trans	-178.3	177.8	178.7	0	0	0	0	0	111.7
451	L	27.4	Very low	29.6	Very low	187 Å²	187	145.2 Å²	145.2	98%	0.979	79%	0.791	S	S	*	*			trans	-176.1	175.9	164.4	-103.9	164.1	0	0	0	110.4
452	Q	27.8	Very low	28.7	Very low	156 Å²	156	144.8 Å²	144.8	73%	0.729	79%	0.79	S	S	*	*			trans	-137.3	157.9	-173.7	-169.3	-145.5	60.3	0	0	110.7
453	P	37.8	Very low	28.9	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	80%	0.796	S	S	*	*			trans	-139.6	132	147	34.1	-17.5	0	0	0	116.6
454	Y	27.5	Very low	28.8	Very low	190 Å²	190	148.8 Å²	148.8	75%	0.745	80%	0.795	S	S	*	*			trans	20.2	130	131.2	-83	-119.7	0	0	0	120.5
455	I	28.5	Very low	28.8	Very low	131 Å²	131	142.7 Å²	142.7	67%	0.672	79%	0.794	S	S	*	*				93.8	142.4	62	-89	171.9	0	0	0	113.1
456	H	28.2	Very low	28.9	Very low	160 Å²	160	146.6 Å²	146.6	74%	0.741	80%	0.8	S	S	*	*			cis	-133.2	-71	21.7	-153.7	-22.7	0	0	0	121
457	P	37.2	Very low	27.8	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	80%	0.803	S	S	*	*			trans	-139	173.9	-141.4	41.7	-22.1	0	0	0	118.8
458	G	23.9	Very low	27.7	Very low	66 Å²	66	143.9 Å²	143.9	68%	0.68	80%	0.804	S	S	*	*			trans	155.1	97.9	159.2	0	0	0	0	0	118.1
459	D	22.4	Very low	27.6	Very low	155 Å²	155	138 Å²	138	83%	0.829	80%	0.799	S	S	*	*			trans	53	109.8	136	-54.2	-14.9	0	0	0	124.1
460	S	26.7	Very low	27.5	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	80%	0.799	S	S	*	*				84.4	151.4	114.4	-59.3	0	0	0	0	124.2
461	E	26.3	Very low	27.5	Very low	198 Å²	198	141.9 Å²	141.9	93%	0.925	80%	0.804	S	S	*	*			trans	81.8	133.2	161	-53	-138.8	101.8	0	0	121.5
462	S	28.1	Very low	27.4	Very low	103 Å²	103	138.2 Å²	138.2	72%	0.72	80%	0.795	S	S	*	*			trans	-79.1	152	179.4	170.1	0	0	0	0	112.5
463	L	30	Very low	27.3	Very low	166 Å²	166	138.1 Å²	138.1	87%	0.869	80%	0.799	S	S	*	*			trans	-166.7	153.2	136.4	-107.2	167.2	0	0	0	112.5
464	D	24.7	Very low	26.7	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	80%	0.804	S	S	*	*			trans	-78.5	148.3	177.1	-66.1	-83.8	0	0	0	113.6
465	A	26.4	Very low	26.6	Very low	103 Å²	103	140.4 Å²	140.4	85%	0.851	81%	0.806	S	S	*	*			trans	-167	156.2	138	0	0	0	0	0	113
466	Q	26.6	Very low	26.6	Very low	188 Å²	188	141.9 Å²	141.9	88%	0.879	82%	0.815	S	S	*	*			trans	-87	151.3	-171	-64.1	168.3	-25	0	0	114.8
467	A	25.8	Very low	26.7	Very low	89 Å²	89	141.1 Å²	141.1	74%	0.736	82%	0.816	S	S	*	*			trans	52.8	123.3	141.1	0	0	0	0	0	121
468	T	25	Very low	26.4	Very low	148 Å²	148	140.9 Å²	140.9	91%	0.908	82%	0.815	S	S	*	*				-161.4	155.6	102.5	15.1	0	0	0	0	112
469	S	27.2	Very low	26.9	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	81%	0.809	S	S	*	*			trans	-79.8	138.7	-179.6	54.4	0	0	0	0	113.1
470	K	25	Very low	27.7	Very low	214 Å²	214	139 Å²	139	93%	0.93	80%	0.797	S	S	*	*			trans	-148.9	142.2	148.5	-112.7	165	-173.1	173.6	0	110.9
471	S	25.5	Very low	28.8	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	80%	0.795	S	S	*	*			trans	-90.3	142.3	-175.4	49.3	0	0	0	0	112.2
472	S	24.6	Very low	29.5	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	78%	0.776	S	S	*	*			trans	-146.9	120	154.1	58.3	0	0	0	0	108
473	D	25.7	Very low	30.6	Very low	154 Å²	154	132 Å²	132	82%	0.824	76%	0.756	S	S	*	*			trans	-66.6	141.4	-173.2	-51.6	-90.6	0	0	0	111.7
474	H	25.7	Very low	31.7	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.856	75%	0.747	S	S	*	*			trans	-118.2	107.8	175.7	-142.3	-60.2	0	0	0	109.1	D476	H474-D476 PolarHBondContact O-N 3.33Å
475	E	25.9	Very low	33.2	Very low	169 Å²	169	126.6 Å²	126.6	79%	0.79	72%	0.715	S	S	*	*			trans	-60.1	120.1	-177.9	-77.9	-76.9	112.3	0	0	111.6	L477	E475-L477 PolarHBondContact O-N 3.39Å; E475-L477 VanDerWaalsContact O-N 3.07Å
476	D	27.9	Very low	34.6	Very low	163 Å²	163	125.1 Å²	125.1	87%	0.872	69%	0.693	S	S	*	*			trans	-83.8	82.6	-174	-144.8	-2.2	0	0	0	110.2	H474	H474-D476 PolarHBondContact O-N 3.33Å
477	L	30.4	Very low	36.2	Very low	143 Å²	143	120.7 Å²	120.7	75%	0.749	68%	0.675	S	S	*	*			trans	-59.6	133.2	-177.7	-79.6	170.5	0	0	0	111.8	E475 V479	E475-L477 PolarHBondContact O-N 3.39Å; E475-L477 VanDerWaalsContact O-N 3.07Å; L477-V479 PolarHBondContact O-N 3.05Å
478	P	31.3	Very low	37.8	Very low	119 Å²	119	118.6 Å²	118.6	77%	0.773	65%	0.651	S	S	*	*			trans	-71.7	99.3	-168.4	27.6	-35.5	0	0	0	112.8
479	V	33.4	Very low	39.4	Very low	94 Å²	94	111.7 Å²	111.7	57%	0.57	61%	0.608	S	S	*	*			trans	-50.3	128.7	171.3	177.8	0	0	0	0	110.4	L477 Q481	L477-V479 PolarHBondContact O-N 3.05Å; V479-Q481 PolarHBondContact O-N 3.1Å
480	P	38.9	Very low	41	Very low	87 Å²	87	109.8 Å²	109.8	57%	0.565	59%	0.589	S	S	*	*			trans	-54.9	140.4	-175.2	-28.4	34.6	0	0	0	113.7	A482 S483 R484	P480-A482 VanDerWaalsContact C-N 3.26Å; P480-A482 PolarHBondContact O-N 3.44Å; P480-A482 VanDerWaalsContact O-N 3.17Å; P480-S483 WeakPolarHBondContact O-CA 3.28Å; P480-S483 VanDerWaalsContact O-CB 3.23Å; P480-S483 WeakPolarHBondContact O-CB 3.12Å; P480-S483 PolarHBondContact O-N 2.85Å; P480-S483 PolarHBondContact O-OG 2.96Å; P480-R484 PolarHBondContact O-N 3.03Å
481	Q	50.2	Low	42.5	Very low	154 Å²	154	101.6 Å²	101.6	72%	0.72	56%	0.559	S	S	*	*	H	α-helix	trans	-57.4	-37.2	-172.9	-65.8	173.6	-4.9	0	0	112.8	V479 S483 R484 L485	V479-Q481 PolarHBondContact O-N 3.1Å; Q481-S483 VanDerWaalsContact C-N 3.32Å; Q481-S483 PolarHBondContact O-N 3.42Å; Q481-R484 PolarHBondContact O-N 2.77Å; Q481-L485 PolarHBondContact O-N 3.43Å; Q481-L485 VanDerWaalsContact O-N 3.12Å
482	A	41.3	Very low	43.9	Very low	65 Å²	65	96.6 Å²	96.6	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-63.8	-33.9	174.7	0	0	0	0	0	113.3	P480 N486	P480-A482 VanDerWaalsContact C-N 3.26Å; P480-A482 PolarHBondContact O-N 3.44Å; P480-A482 VanDerWaalsContact O-N 3.17Å; A482-N486 WeakPolarHBondContact O-CB 3.29Å; A482-N486 PolarHBondContact O-N 3.15Å; A482-N486 PolarHBondContact O-ND2 2.92Å
483	S	51.7	Low	45.4	Very low	43 Å²	43	93.6 Å²	93.6	30%	0.301	50%	0.499	S	S	.	.	H	α-helix	trans	-67.3	-43.7	173.9	-41.8	0	0	0	0	110.5	P480 Q481 L485 N486 N487	P480-S483 WeakPolarHBondContact O-CA 3.28Å; P480-S483 VanDerWaalsContact O-CB 3.23Å; P480-S483 WeakPolarHBondContact O-CB 3.12Å; P480-S483 PolarHBondContact O-N 2.85Å; P480-S483 PolarHBondContact O-OG 2.96Å; Q481-S483 VanDerWaalsContact C-N 3.32Å; Q481-S483 PolarHBondContact O-N 3.42Å; S483-L485 VanDerWaalsContact C-N 3.34Å; S483-L485 PolarHBondContact O-N 3.17Å; S483-N486 PolarHBondContact O-N 2.92Å; S483-N487 WeakPolarHBondContact O-CB 3.46Å; S483-N487 PolarHBondContact O-N 3.14Å; S483-N487 PolarHBondContact O-OD1 3.24Å
484	R	52.2	Low	46.6	Very low	179 Å²	179	92.4 Å²	92.4	68%	0.675	49%	0.489	S	S	*	.	H	α-helix	trans	-59.4	-44	177.9	-165.9	173.8	-172.7	131.6	1.1	111.7	P480 Q481 I488	P480-R484 PolarHBondContact O-N 3.03Å; Q481-R484 PolarHBondContact O-N 2.77Å; R484-I488 HydrophobicContact CG-CD1 4.29Å; R484-I488 WeakPolarHBondContact O-CD1 3.49Å; R484-I488 VanDerWaalsContact O-CG1 3.3Å; R484-I488 WeakPolarHBondContact O-CG1 3.19Å; R484-I488 PolarHBondContact O-N 3.43Å
485	L	56.6	Low	47.4	Very low	27 Å²	27	86.6 Å²	86.6	14%	0.141	48%	0.479	C	S	.	.	H	α-helix	trans	-63.6	-46.9	174.8	-178.5	63.3	0	0	0	112	Q481 S483 N487 I488 I489 V659 L660	Q481-L485 PolarHBondContact O-N 3.43Å; Q481-L485 VanDerWaalsContact O-N 3.12Å; S483-L485 VanDerWaalsContact C-N 3.34Å; S483-L485 PolarHBondContact O-N 3.17Å; L485-N487 PolarHBondContact O-N 3.32Å; L485-I488 PolarHBondContact O-N 2.86Å; L485-I489 HydrophobicContact CD1-CD1 4.13Å; L485-I489 HydrophobicContact CG-CD1 3.84Å; L485-I489 VanDerWaalsContact O-CD1 3.29Å; L485-I489 WeakPolarHBondContact O-CD1 3.48Å; L485-I489 VanDerWaalsContact O-CG1 3.23Å; L485-I489 WeakPolarHBondContact O-CG1 3.12Å; L485-I489 PolarHBondContact O-N 2.96Å; L485-I489 VanDerWaalsContact O-N 3.08Å; L485-V659 HydrophobicContact CD1-CB 4.15Å; L485-V659 HydrophobicContact CD1-CG1 3.61Å; L485-L660 HydrophobicContact CD1-CD2 4.15Å; L485-L660 HydrophobicContact CD2-CD2 3.69Å
486	N	56.6	Low	48.1	Very low	72 Å²	72	81.3 Å²	81.3	39%	0.385	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-38	178.6	-77.6	-32.5	0	0	0	112.7	A482 S483 I489 N490	A482-N486 WeakPolarHBondContact O-CB 3.29Å; A482-N486 PolarHBondContact O-N 3.15Å; A482-N486 PolarHBondContact O-ND2 2.92Å; S483-N486 PolarHBondContact O-N 2.92Å; N486-I489 WeakPolarHBondContact O-CB 3.42Å; N486-I489 PolarHBondContact O-N 3.49Å; N486-I489 VanDerWaalsContact O-N 3.17Å; N486-N490 WeakPolarHBondContact O-CB 3.3Å; N486-N490 PolarHBondContact O-N 3.43Å; N486-N490 PolarHBondContact O-OD1 3.22Å
487	N	58.9	Low	48.5	Very low	95 Å²	95	79.7 Å²	79.7	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-65	-43.9	178.5	-68.2	3.1	0	0	0	111.4	S483 L485 I489 N490 S491	S483-N487 WeakPolarHBondContact O-CB 3.46Å; S483-N487 PolarHBondContact O-N 3.14Å; S483-N487 PolarHBondContact O-OD1 3.24Å; L485-N487 PolarHBondContact O-N 3.32Å; N487-I489 PolarHBondContact O-N 3.34Å; N487-N490 PolarHBondContact O-N 2.97Å; N487-N490 VanDerWaalsContact O-N 3.14Å; N487-S491 PolarHBondContact O-N 3.4Å; N487-S491 PolarHBondContact O-OG 3.12Å
488	I	59.4	Low	48.5	Very low	46 Å²	46	83.1 Å²	83.1	24%	0.236	45%	0.454	C	S	.	.	H	α-helix	trans	-64.4	-28.1	174.2	-63.5	163.2	0	0	0	111.9	R484 L485 S491 A492 V659 T663	R484-I488 HydrophobicContact CG-CD1 4.29Å; R484-I488 WeakPolarHBondContact O-CD1 3.49Å; R484-I488 VanDerWaalsContact O-CG1 3.3Å; R484-I488 WeakPolarHBondContact O-CG1 3.19Å; R484-I488 PolarHBondContact O-N 3.43Å; L485-I488 PolarHBondContact O-N 2.86Å; I488-S491 PolarHBondContact O-OG 3.02Å; I488-A492 VanDerWaalsContact O-CB 3.28Å; I488-A492 WeakPolarHBondContact O-CB 3.36Å; I488-A492 PolarHBondContact O-N 3.15Å; I488-V659 HydrophobicContact CB-CG1 4.4Å; I488-V659 HydrophobicContact CG2-CG1 3.71Å; I488-V659 HydrophobicContact CG2-CG2 4.41Å; I488-T663 HydrophobicContact CD1-CG2 4.08Å
489	I	59.6	Low	48.7	Very low	2 Å²	2	85.2 Å²	85.2	1%	0.01	46%	0.459	C	S	.	.	H	α-helix	trans	-75.5	-38.3	173.8	-69.7	159	0	0	0	110.9	L485 N486 N487 L493 R656	L485-I489 HydrophobicContact CD1-CD1 4.13Å; L485-I489 HydrophobicContact CG-CD1 3.84Å; L485-I489 VanDerWaalsContact O-CD1 3.29Å; L485-I489 WeakPolarHBondContact O-CD1 3.48Å; L485-I489 VanDerWaalsContact O-CG1 3.23Å; L485-I489 WeakPolarHBondContact O-CG1 3.12Å; L485-I489 PolarHBondContact O-N 2.96Å; L485-I489 VanDerWaalsContact O-N 3.08Å; N486-I489 WeakPolarHBondContact O-CB 3.42Å; N486-I489 PolarHBondContact O-N 3.49Å; N486-I489 VanDerWaalsContact O-N 3.17Å; N487-I489 PolarHBondContact O-N 3.34Å; I489-L493 HydrophobicContact CG2-CD1 3.98Å; I489-L493 WeakPolarHBondContact O-CD1 3.29Å; I489-L493 VanDerWaalsContact O-CG 3.24Å; I489-L493 WeakPolarHBondContact O-CG 3.4Å; I489-L493 PolarHBondContact O-N 3.09Å; I489-R656 HydrophobicContact CD1-CB 4.18Å; I489-R656 HydrophobicContact CD1-CG 3.57Å; I489-R656 HydrophobicContact CG1-CG 3.98Å; I489-R656 HydrophobicContact CG2-CG 4.23Å
490	N	60.5	Low	48.6	Very low	73 Å²	73	85.3 Å²	85.3	39%	0.39	46%	0.464	S	S	.	.	H	α-helix	trans	-73.2	-43.4	-177.2	-68.7	-7.9	0	0	0	111.5	N486 N487 A492 L493 E494	N486-N490 WeakPolarHBondContact O-CB 3.3Å; N486-N490 PolarHBondContact O-N 3.43Å; N486-N490 PolarHBondContact O-OD1 3.22Å; N487-N490 PolarHBondContact O-N 2.97Å; N487-N490 VanDerWaalsContact O-N 3.14Å; N490-A492 VanDerWaalsContact C-N 3.32Å; N490-A492 PolarHBondContact O-N 2.9Å; N490-L493 WeakPolarHBondContact O-CA 3.4Å; N490-L493 WeakPolarHBondContact O-CB 3.28Å; N490-L493 PolarHBondContact O-N 3Å; N490-E494 PolarHBondContact O-N 3.4Å
491	S	55.9	Low	48.1	Very low	43 Å²	43	89 Å²	89	30%	0.301	48%	0.479	S	S	.	.	H	α-helix	trans	-56	-47.5	171.7	58.3	0	0	0	0	111.4	N487 I488 L493 E494 G495 E643	N487-S491 PolarHBondContact O-N 3.4Å; N487-S491 PolarHBondContact O-OG 3.12Å; I488-S491 PolarHBondContact O-OG 3.02Å; S491-L493 PolarHBondContact O-N 3.19Å; S491-L493 VanDerWaalsContact O-N 3.09Å; S491-E494 PolarHBondContact O-N 3.48Å; S491-E494 VanDerWaalsContact O-N 3.15Å; S491-G495 PolarHBondContact O-N 2.66Å; S491-E643 VanDerWaalsContact C-OE1 3.32Å; S491-E643 VanDerWaalsContact CB-OE2 3.28Å; S491-E643 WeakPolarHBondContact CB-OE2 3.43Å; S491-E643 PolarHBondContact OG-OE2 3.26Å
492	A	55.7	Low	47.1	Very low	5 Å²	5	85 Å²	85	4%	0.041	48%	0.479	C	S	.	.	H	α-helix	trans	-66.1	-10.3	176.9	0	0	0	0	0	115	I488 N490 E643 L655	I488-A492 VanDerWaalsContact O-CB 3.28Å; I488-A492 WeakPolarHBondContact O-CB 3.36Å; I488-A492 PolarHBondContact O-N 3.15Å; N490-A492 VanDerWaalsContact C-N 3.32Å; N490-A492 PolarHBondContact O-N 2.9Å; A492-E643 HydrophobicContact CB-CG 3.9Å; A492-E643 PolarHBondContact N-OE2 2.89Å; A492-L655 HydrophobicContact CB-CD2 4.13Å
493	L	55.3	Low	46.4	Very low	47 Å²	47	90.7 Å²	90.7	25%	0.246	49%	0.494	C	S	.	.	H	α-helix	trans	-95.7	-42	170.3	-72	166.7	0	0	0	111.4	I489 N490 S491 S496 Y640 V652	I489-L493 HydrophobicContact CG2-CD1 3.98Å; I489-L493 WeakPolarHBondContact O-CD1 3.29Å; I489-L493 VanDerWaalsContact O-CG 3.24Å; I489-L493 WeakPolarHBondContact O-CG 3.4Å; I489-L493 PolarHBondContact O-N 3.09Å; N490-L493 WeakPolarHBondContact O-CA 3.4Å; N490-L493 WeakPolarHBondContact O-CB 3.28Å; N490-L493 PolarHBondContact O-N 3Å; S491-L493 PolarHBondContact O-N 3.19Å; S491-L493 VanDerWaalsContact O-N 3.09Å; L493-S496 WeakPolarHBondContact O-CB 3.23Å; L493-S496 PolarHBondContact O-N 2.99Å; L493-Y640 HydrophobicContact CD2-CD1 3.81Å; L493-Y640 HydrophobicContact CD2-CE1 3.99Å; L493-V652 HydrophobicContact CD2-CG2 4.13Å
494	E	50.8	Low	45.4	Very low	130 Å²	130	94 Å²	94	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-40.1	175.9	-72.4	173.6	-156.1	0	0	112.3	N490 S491 S496 L497	N490-E494 PolarHBondContact O-N 3.4Å; S491-E494 PolarHBondContact O-N 3.48Å; S491-E494 VanDerWaalsContact O-N 3.15Å; E494-S496 PolarHBondContact O-N 3.22Å; E494-L497 PolarHBondContact O-N 3.08Å
495	G	43.3	Very low	44.2	Very low	62 Å²	62	90.4 Å²	90.4	64%	0.639	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.6	171	0	0	0	0	0	114.7	S491	S491-G495 PolarHBondContact O-N 2.66Å
496	S	40.8	Very low	43	Very low	59 Å²	59	97 Å²	97	41%	0.413	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-3.7	172.7	-170.9	0	0	0	0	113.9	L493 E494	L493-S496 WeakPolarHBondContact O-CB 3.23Å; L493-S496 PolarHBondContact O-N 2.99Å; E494-S496 PolarHBondContact O-N 3.22Å
497	L	34.7	Very low	41.6	Very low	128 Å²	128	103.7 Å²	103.7	67%	0.67	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-11.8	-177.3	-77.4	168.1	0	0	0	114.3	E494 N499	E494-L497 PolarHBondContact O-N 3.08Å; L497-N499 VanDerWaalsContact C-N 3.34Å; L497-N499 PolarHBondContact O-N 3.32Å
498	R	32.1	Very low	40.4	Very low	216 Å²	216	106.5 Å²	106.5	82%	0.815	58%	0.583	S	S	*	*	S	Bend	trans	-84.5	9.4	-175.7	-78.5	-177.6	166.3	-102.4	0.2	116.3
499	N	34.1	Very low	39.1	Very low	162 Å²	162	110.5 Å²	110.5	87%	0.866	60%	0.604	S	S	*	*	S	Bend	trans	-128.2	53.2	178.6	-88.7	65.2	0	0	0	112	L497	L497-N499 VanDerWaalsContact C-N 3.34Å; L497-N499 PolarHBondContact O-N 3.32Å
500	S	32.4	Very low	38.2	Very low	97 Å²	97	119.1 Å²	119.1	68%	0.678	64%	0.637	S	S	*	*			trans	-160.4	57.2	167.9	63.8	0	0	0	0	113.9
501	D	29	Very low	37.3	Very low	165 Å²	165	122.7 Å²	122.7	88%	0.882	66%	0.655	S	S	*	*			trans	-81.1	122.2	165.4	-70.3	-56.2	0	0	0	109.7
502	G	27.4	Very low	36.5	Very low	70 Å²	70	122.8 Å²	122.8	72%	0.722	66%	0.662	S	S	*	*	S	Bend	trans	171.5	40.9	-170.4	0	0	0	0	0	117.5
503	H	27	Very low	35.9	Very low	183 Å²	183	124.9 Å²	124.9	85%	0.847	68%	0.676	S	S	*	*			trans	60	132.3	171.4	-91.2	-86.2	0	0	0	119.9
504	P	31.1	Very low	35.6	Very low	112 Å²	112	128.8 Å²	128.8	73%	0.727	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-80	117	164.7	32.3	-30.9	0	0	0	110.5
505	S	27.4	Very low	35.5	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-97.7	122.9	174.8	-164.2	0	0	0	0	111.3	Y507	S505-Y507 PolarHBondContact O-N 3.38Å
506	H	30.6	Very low	36	Very low	164 Å²	164	128.5 Å²	128.5	76%	0.759	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-73.5	121.1	-178.7	-75.9	-118.6	0	0	0	111.4
507	Y	27.6	Very low	36.7	Very low	213 Å²	213	128.6 Å²	128.6	84%	0.835	71%	0.714	S	S	*	*			trans	-121.7	70.8	162.6	-100.4	-88.2	0	0	0	110.8	S505	S505-Y507 PolarHBondContact O-N 3.38Å
508	L	34.1	Very low	37.5	Very low	155 Å²	155	124.5 Å²	124.5	81%	0.812	70%	0.696	S	S	*	*			trans	-92.7	130	153.8	-76.9	173	0	0	0	107.9	R510	L508-R510 PolarHBondContact O-N 3.05Å; L508-R510 VanDerWaalsContact O-N 3.17Å
509	N	32.7	Very low	38.4	Very low	129 Å²	129	120.6 Å²	120.6	69%	0.69	69%	0.687	S	S	*	*			trans	-61.8	116.5	-179.3	-78.3	-11.9	0	0	0	111.4	L511	N509-L511 HydrophobicContact CB-CD1 4.28Å; N509-L511 HydrophobicContact CB-CG 4.16Å; N509-L511 PolarHBondContact O-N 2.86Å
510	R	39.6	Very low	38.8	Very low	183 Å²	183	116.5 Å²	116.5	69%	0.691	67%	0.671	S	S	*	*			trans	-71.6	76.8	156.4	-83.4	-173.2	170.8	-108.3	-7.2	109.5	L508 Q519	L508-R510 PolarHBondContact O-N 3.05Å; L508-R510 VanDerWaalsContact O-N 3.17Å; R510-Q519 PolarHBondContact NH1-O 2.78Å; R510-Q519 VanDerWaalsContact NH1-OE1 3.13Å
511	L	40.9	Very low	39.6	Very low	149 Å²	149	117.3 Å²	117.3	78%	0.78	67%	0.674	S	S	*	*			trans	-86.5	107	161.1	-74.8	166.6	0	0	0	107.6	N509	N509-L511 HydrophobicContact CB-CD1 4.28Å; N509-L511 HydrophobicContact CB-CG 4.16Å; N509-L511 PolarHBondContact O-N 2.86Å
512	G	40.2	Very low	40.6	Very low	44 Å²	44	117.3 Å²	117.3	45%	0.454	67%	0.669	S	S	.	*			trans	-68.2	163.3	172.5	0	0	0	0	0	111.7	S514	G512-S514 PolarHBondContact O-N 3.38Å
513	C	42.7	Very low	41.6	Very low	49 Å²	49	117.9 Å²	117.9	33%	0.331	65%	0.653	S	S	.	*			trans	-67.1	116.1	174.1	-178.9	0	0	0	0	109.9	T515 C516 G517	C513-T515 PolarHBondContact O-N 3.41Å; C513-C516 PolarHBondContact O-N 3.04Å; C513-G517 PolarHBondContact O-N 2.99Å
514	S	49.2	Very low	42.5	Very low	129 Å²	129	113.6 Å²	113.6	90%	0.902	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-10	-176.6	46.5	0	0	0	0	114.6	G512	G512-S514 PolarHBondContact O-N 3.38Å
515	T	47.7	Very low	43.4	Very low	123 Å²	123	115 Å²	115	76%	0.755	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-11.8	179.1	-9.5	0	0	0	0	114.3	C513	C513-T515 PolarHBondContact O-N 3.41Å
516	C	55.8	Low	44.6	Very low	64 Å²	64	115.6 Å²	115.6	43%	0.432	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-144.9	-2	-179.7	69.5	0	0	0	0	116	C513 S518	C513-C516 PolarHBondContact O-N 3.04Å; C516-S518 PolarHBondContact O-N 2.83Å
517	G	54.8	Low	44.9	Very low	60 Å²	60	110.6 Å²	110.6	62%	0.619	63%	0.627	S	S	*	*			trans	68.7	-5.4	168.3	0	0	0	0	0	117.2	C513	C513-G517 PolarHBondContact O-N 2.99Å
518	S	51.8	Low	45.8	Very low	42 Å²	42	106.1 Å²	106.1	29%	0.294	62%	0.624	S	S	.	*			trans	-72.1	146.5	-174.8	68.4	0	0	0	0	112.9	C516	C516-S518 PolarHBondContact O-N 2.83Å
519	Q	51	Low	46.3	Very low	134 Å²	134	105.7 Å²	105.7	63%	0.626	62%	0.622	S	S	*	*			trans	-118.3	22.1	-176.3	-63.4	-160.3	33.8	0	0	114	R510	R510-Q519 PolarHBondContact NH1-O 2.78Å; R510-Q519 VanDerWaalsContact NH1-OE1 3.13Å
520	S	41.3	Very low	46.4	Very low	76 Å²	76	106.2 Å²	106.2	53%	0.531	63%	0.625	S	S	.	*			trans	-91.7	132.1	-176.7	-171.8	0	0	0	0	111.9	Q522 H523	S520-Q522 PolarHBondContact O-N 3.22Å; S520-H523 PolarHBondContact O-N 3.27Å
521	P	50.6	Low	46.4	Very low	114 Å²	114	103.3 Å²	103.3	74%	0.74	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-10.4	-174.2	-24.6	34.9	0	0	0	116.8
522	Q	49.2	Very low	46.2	Very low	165 Å²	165	107.1 Å²	107.1	77%	0.771	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	2.2	-173.1	-65.5	179.9	-12.2	0	0	114.1	S520 S524	S520-Q522 PolarHBondContact O-N 3.22Å; Q522-S524 PolarHBondContact O-N 3.16Å
523	H	49.4	Very low	46.2	Very low	83 Å²	83	109.7 Å²	109.7	38%	0.384	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-77.7	1.3	-177	-161.1	-81	0	0	0	114.2	S520 N525	S520-H523 PolarHBondContact O-N 3.27Å; H523-N525 VanDerWaalsContact C-N 3.28Å; H523-N525 PolarHBondContact O-N 3.49Å
524	S	45.9	Very low	46	Very low	93 Å²	93	117.9 Å²	117.9	65%	0.65	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-67.4	-24.2	-179.4	49.2	0	0	0	0	114.3	Q522	Q522-S524 PolarHBondContact O-N 3.16Å
525	N	48.5	Very low	45.3	Very low	140 Å²	140	119 Å²	119	75%	0.749	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-98.8	3.3	-162.1	-61.3	4.1	0	0	0	114.4	H523	H523-N525 VanDerWaalsContact C-N 3.28Å; H523-N525 PolarHBondContact O-N 3.49Å
526	V	52.1	Low	44.8	Very low	118 Å²	118	116.5 Å²	116.5	72%	0.715	65%	0.652	S	S	*	*	S	Bend	trans	-133.3	-6.6	-171.2	-168.6	0	0	0	0	113.3	P528	V526-P528 VanDerWaalsContact O-CD 3.22Å; V526-P528 WeakPolarHBondContact O-CD 3.34Å
527	C	36.9	Very low	44	Very low	60 Å²	60	119.6 Å²	119.6	41%	0.405	66%	0.66	S	S	.	*			trans	-90.9	106.8	-170.7	-150.8	0	0	0	0	111.9	N529	C527-N529 PolarHBondContact O-N 3.36Å; C527-N529 VanDerWaalsContact O-N 3.14Å
528	P	46.4	Very low	43.1	Very low	118 Å²	118	124 Å²	124	77%	0.766	67%	0.669	S	S	*	*			trans	-79.6	2.1	-158.9	-18.5	34.4	0	0	0	117.7	V526	V526-P528 VanDerWaalsContact O-CD 3.22Å; V526-P528 WeakPolarHBondContact O-CD 3.34Å
529	N	46.7	Very low	42.5	Very low	146 Å²	146	128.9 Å²	128.9	78%	0.781	69%	0.689	S	S	*	*			trans	-142.1	111.7	-172.3	-83.4	-61	0	0	0	112.8	C527	C527-N529 PolarHBondContact O-N 3.36Å; C527-N529 VanDerWaalsContact O-N 3.14Å
530	N	33.7	Very low	42	Very low	141 Å²	141	125.6 Å²	125.6	75%	0.754	69%	0.685	S	S	*	*			trans	-157.7	122	164.2	-167.7	14.6	0	0	0	109.9	R532	N530-R532 PolarHBondContact O-N 3.41Å
531	P	39.4	Very low	41.9	Very low	122 Å²	122	131 Å²	131	79%	0.792	70%	0.702	S	S	*	*			trans	-76.6	99.5	-170.2	29.2	-35.6	0	0	0	113.1
532	R	37	Very low	41.3	Very low	229 Å²	229	133.7 Å²	133.7	86%	0.864	71%	0.709	S	S	*	*			trans	-128.1	-0.4	167.8	-100.1	-172.6	175.4	-168.3	-0.6	115.6	N530 R534	N530-R532 PolarHBondContact O-N 3.41Å; R532-R534 PolarHBondContact O-N 3.18Å
533	S	40.6	Very low	41.1	Very low	98 Å²	98	132 Å²	132	69%	0.685	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	82.9	176.9	52.8	0	0	0	0	111.7
534	R	37.5	Very low	40.5	Very low	221 Å²	221	133.1 Å²	133.1	83%	0.834	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.4	20.8	162.1	-113.1	172	-159.9	-160.6	4.5	115.3	R532	R532-R534 PolarHBondContact O-N 3.18Å
535	L	34.9	Very low	40	Very low	151 Å²	151	137.2 Å²	137.2	79%	0.791	73%	0.727	S	S	*	*	S	Bend	trans	-137.8	20.7	174.2	-70.7	175.9	0	0	0	111.4
536	S	37.4	Very low	39.7	Very low	72 Å²	72	141.6 Å²	141.6	50%	0.503	73%	0.734	S	S	.	*	S	Bend	trans	-109.2	-25.5	-177.9	44	0	0	0	0	112.8
537	E	37.9	Very low	39.2	Very low	128 Å²	128	140.9 Å²	140.9	60%	0.598	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-76.1	-44.2	-177.6	-69.6	140.2	129.9	0	0	111.3	M539 A540	E537-M539 PolarHBondContact O-N 2.78Å; E537-A540 WeakPolarHBondContact O-CB 3.46Å; E537-A540 PolarHBondContact O-N 2.94Å
538	D	36.5	Very low	39.6	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-61.4	-4.7	175.3	-66.3	2.9	0	0	0	115.1
539	M	39.3	Very low	39.5	Very low	144 Å²	144	143.6 Å²	143.6	71%	0.709	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-109.1	-4.1	172.7	-77	-166.8	169.8	0	0	113.9	E537 H543	E537-M539 PolarHBondContact O-N 2.78Å; M539-H543 PolarHBondContact O-CD2 3.17Å
540	A	41.1	Very low	39.4	Very low	65 Å²	65	141.9 Å²	141.9	54%	0.537	74%	0.744	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-40.6	-177.1	0	0	0	0	0	113.1	E537 L542 H543	E537-A540 WeakPolarHBondContact O-CB 3.46Å; E537-A540 PolarHBondContact O-N 2.94Å; A540-L542 VanDerWaalsContact C-N 3.27Å; A540-L542 PolarHBondContact O-N 3.04Å; A540-L542 VanDerWaalsContact O-N 3.17Å; A540-H543 PolarHBondContact O-N 2.9Å
541	E	39.5	Very low	39.8	Very low	188 Å²	188	140.3 Å²	140.3	88%	0.879	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-6.8	-166.3	-61.4	-168.1	137.5	0	0	115.6
542	L	38.1	Very low	40.3	Very low	171 Å²	171	141.7 Å²	141.7	90%	0.895	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	6.5	177.5	-94.1	167.1	0	0	0	114.3	A540	A540-L542 VanDerWaalsContact C-N 3.27Å; A540-L542 PolarHBondContact O-N 3.04Å; A540-L542 VanDerWaalsContact O-N 3.17Å
543	H	44.3	Very low	41	Very low	131 Å²	131	137.9 Å²	137.9	61%	0.606	74%	0.736	S	S	*	*			trans	-106.2	19.2	-171.7	-85.7	-98.9	0	0	0	114.9	M539 A540	M539-H543 PolarHBondContact O-CD2 3.17Å; A540-H543 PolarHBondContact O-N 2.9Å
544	S	36.8	Very low	41.8	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	73%	0.731	S	S	*	*	S	Bend	trans	-96.8	-2.5	-164.1	-163.9	0	0	0	0	117.9
545	E	34.8	Very low	43	Very low	178 Å²	178	128 Å²	128	83%	0.832	71%	0.707	S	S	*	*	S	Bend	trans	-122.7	-8.5	-169.9	-68.5	-167.2	159.6	0	0	116.7
546	Y	43.7	Very low	44.7	Very low	232 Å²	232	124 Å²	124	91%	0.91	68%	0.684	S	S	*	*	S	Bend	trans	-139.4	75	-179.7	-92.5	-92.4	0	0	0	112
547	S	40.5	Very low	46.2	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	68%	0.677	S	S	*	*			trans	-149.7	60.9	174.9	64.3	0	0	0	0	112.2
548	D	45.1	Very low	47.9	Very low	160 Å²	160	118.4 Å²	118.4	86%	0.856	65%	0.648	S	S	*	*			trans	-139.7	90.2	168.2	-151.1	1.4	0	0	0	110.4
549	S	44.9	Very low	49.2	Very low	75 Å²	75	116.9 Å²	116.9	52%	0.524	64%	0.64	S	S	.	*			trans	-152.2	109	171.2	61.1	0	0	0	0	109.7
550	S	45.3	Very low	50.4	Low	110 Å²	110	116.8 Å²	116.8	77%	0.769	64%	0.638	S	S	*	*			trans	-52.6	135.2	-165.4	-46.3	0	0	0	0	115.5	E552	S550-E552 PolarHBondContact O-N 3.13Å
551	C	42.3	Very low	51.7	Low	108 Å²	108	116.1 Å²	116.1	73%	0.73	63%	0.629	S	S	*	*			trans	-92.2	80.8	175.3	51	0	0	0	0	112.6
552	E	49.6	Very low	53	Low	150 Å²	150	113.7 Å²	113.7	70%	0.701	62%	0.622	S	S	*	*	S	Bend	trans	-83.3	128.9	163.3	-70.6	-164.7	152.3	0	0	111.2	S550 G554	S550-E552 PolarHBondContact O-N 3.13Å; E552-G554 PolarHBondContact O-N 2.89Å
553	N	50.7	Low	54.7	Low	150 Å²	150	107.7 Å²	107.7	80%	0.802	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.4	29.6	169.6	-53.1	-48.2	0	0	0	116.7	T555	N553-T555 PolarHBondContact O-N 3.39Å; N553-T555 VanDerWaalsContact O-N 3.1Å
554	G	57.6	Low	56.2	Low	56 Å²	56	108.5 Å²	108.5	58%	0.577	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.8	22	164.9	0	0	0	0	0	115.6	E552	E552-G554 PolarHBondContact O-N 2.89Å
555	T	62.6	Low	58.1	Low	55 Å²	55	105.6 Å²	105.6	34%	0.337	57%	0.57	S	S	.	*			trans	-116.7	135.6	171.7	51.6	0	0	0	0	109.5	N553 F557	N553-T555 PolarHBondContact O-N 3.39Å; N553-T555 VanDerWaalsContact O-N 3.1Å; T555-F557 WeakPolarHBondContact O-CD2 3.39Å; T555-F557 WeakPolarHBondContact O-CE2 3.44Å; T555-F557 VanDerWaalsContact OG1-CE2 3.27Å; T555-F557 WeakPolarHBondContact OG1-CE2 3.41Å; T555-F557 WeakPolarHBondContact OG1-CZ 3.46Å
556	F	70.1	Confident	60.1	Low	68 Å²	68	100.6 Å²	100.6	30%	0.298	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.3	125.5	-174.3	-66.2	-89.4	0	0	0	109.5	F565 A566 D568 L571	F556-F565 HydrophobicContact CB-CB 4.33Å; F556-F565 PolarHBondContact N-O 3.34Å; F556-F565 PolarHBondContact O-N 3.26Å; F556-A566 WeakPolarHBondContact CD2-O 3.48Å; F556-D568 HydrophobicContact CD1-CB 3.94Å; F556-D568 VanDerWaalsContact CD2-N 3.3Å; F556-D568 HydrophobicContact CE1-CB 3.63Å; F556-D568 HydrophobicContact CE2-CB 4.29Å; F556-D568 HydrophobicContact CG-CB 4.41Å; F556-D568 HydrophobicContact CZ-CB 3.81Å; F556-L571 HydrophobicContact CB-CB 3.82Å; F556-L571 HydrophobicContact CB-CD2 3.84Å; F556-L571 HydrophobicContact CB-CG 4.41Å
557	F	69.3	Low	61.9	Low	81 Å²	81	94.3 Å²	94.3	36%	0.355	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.1	-171.5	-66.9	-95	0	0	0	112.1	T555 N559 K564 L571	T555-F557 WeakPolarHBondContact O-CD2 3.39Å; T555-F557 WeakPolarHBondContact O-CE2 3.44Å; T555-F557 VanDerWaalsContact OG1-CE2 3.27Å; T555-F557 WeakPolarHBondContact OG1-CE2 3.41Å; T555-F557 WeakPolarHBondContact OG1-CZ 3.46Å; F557-N559 PolarHBondContact O-N 3.48Å; F557-K564 HydrophobicContact CD1-CD 4.37Å; F557-K564 HydrophobicContact CD1-CG 3.97Å; F557-K564 HydrophobicContact CE1-CD 3.63Å; F557-K564 HydrophobicContact CE1-CG 3.74Å; F557-K564 HydrophobicContact CZ-CD 4.22Å; F557-L571 WeakPolarHBondContact O-CD1 3.33Å; F557-L571 WeakPolarHBondContact O-CD2 3.42Å
558	C	73.8	Confident	63.7	Low	1 Å²	1	92.5 Å²	92.5	1%	0.007	52%	0.523	C	S	.	.			trans	-84.6	108	170.1	172.2	0	0	0	0	111.2	E560 C561 D562 S563 F565 L571 H574 M575 H579	C558-E560 PolarHBondContact O-N 3.19Å; C558-E560 PolarHBondContact SG-N 3.37Å; C558-C561 PolarHBondContact O-N 2.83Å; C558-C561 PolarHBondContact SG-N 3.37Å; C558-C561 PolarHBondContact SG-SG 2.87Å; C558-D562 WeakPolarHBondContact O-CA 3.4Å; C558-D562 PolarHBondContact O-N 3.16Å; C558-S563 WeakPolarHBondContact CB-O 3.27Å; C558-S563 PolarHBondContact N-O 2.83Å; C558-F565 HydrophobicContact CB-CE2 4.18Å; C558-L571 HydrophobicContact CB-CD1 4.05Å; C558-H574 WeakPolarHBondContact CB-NE2 3.28Å; C558-H574 PolarHBondContact SG-NE2 3.32Å; C558-M575 HydrophobicContact CB-CE 3.97Å; C558-M575 WeakPolarHBondContact SG-CE 3.44Å; C558-H579 PolarHBondContact SG-NE2 3.09Å; C558-H579 VanDerWaalsContact SG-NE2 3.41Å
559	N	64.7	Low	65.2	Low	122 Å²	122	90.2 Å²	90.2	65%	0.652	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-2.9	179.5	-58.6	-20.2	0	0	0	114.5	F557	F557-N559 PolarHBondContact O-N 3.48Å
560	E	63.5	Low	66.7	Low	141 Å²	141	88.1 Å²	88.1	66%	0.659	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-12.7	178.3	-79.5	-165.8	-130.6	0	0	114.8	C558 H579	C558-E560 PolarHBondContact O-N 3.19Å; C558-E560 PolarHBondContact SG-N 3.37Å; E560-H579 WeakPolarHBondContact CB-CE1 3.3Å; E560-H579 VanDerWaalsContact CB-ND1 3.28Å; E560-H579 WeakPolarHBondContact CB-ND1 3.23Å; E560-H579 IonicContact OE1-ND1 3.25Å; E560-H579 IonicContact OE2-CE1 3.74Å; E560-H579 IonicContact OE2-CG 2.77Å; E560-H579 IonicContact OE2-ND1 3.42Å; E560-H579 PolarHBondContact OE2-ND1 3.11Å
561	C	68.1	Low	68.2	Low	52 Å²	52	84 Å²	84	35%	0.351	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.7	25	175.8	71.7	0	0	0	0	115.4	C558 S563 H574 H579	C558-C561 PolarHBondContact O-N 2.83Å; C558-C561 PolarHBondContact SG-N 3.37Å; C558-C561 PolarHBondContact SG-SG 2.87Å; C561-S563 PolarHBondContact O-N 3.47Å; C561-S563 PolarHBondContact O-OG 3.17Å; C561-H574 VanDerWaalsContact SG-CE1 3.56Å; C561-H574 PolarHBondContact SG-NE2 3.4Å; C561-H574 VanDerWaalsContact SG-NE2 3.39Å; C561-H579 PolarHBondContact SG-NE2 3.18Å
562	D	67.4	Low	69.7	Low	136 Å²	136	83.1 Å²	83.1	73%	0.727	45%	0.448	S	S	*	.			trans	54.1	13.4	171.4	-54.1	-37.6	0	0	0	116.2	C558	C558-D562 WeakPolarHBondContact O-CA 3.4Å; C558-D562 PolarHBondContact O-N 3.16Å
563	S	72.6	Confident	70.7	Confident	45 Å²	45	80 Å²	80	32%	0.315	43%	0.434	S	S	.	.			trans	-73.6	134.4	-179.8	-65.8	0	0	0	0	110.6	C558 C561 F565	C558-S563 WeakPolarHBondContact CB-O 3.27Å; C558-S563 PolarHBondContact N-O 2.83Å; C561-S563 PolarHBondContact O-N 3.47Å; C561-S563 PolarHBondContact O-OG 3.17Å; S563-F565 WeakPolarHBondContact O-CD2 3.49Å; S563-F565 VanDerWaalsContact O-CE2 3.28Å; S563-F565 WeakPolarHBondContact O-CE2 3.34Å
564	K	76.9	Confident	72	Confident	149 Å²	149	73.9 Å²	73.9	65%	0.648	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.9	-178.1	-47.6	-166	-174.4	-160.3	0	111.1	F557	F557-K564 HydrophobicContact CD1-CD 4.37Å; F557-K564 HydrophobicContact CD1-CG 3.97Å; F557-K564 HydrophobicContact CE1-CD 3.63Å; F557-K564 HydrophobicContact CE1-CG 3.74Å; F557-K564 HydrophobicContact CZ-CD 4.22Å
565	F	76.8	Confident	72.5	Confident	45 Å²	45	73.8 Å²	73.8	20%	0.197	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.4	179.8	-59.8	-79.3	0	0	0	110.7	F556 C558 S563 A570 L571 H574	F556-F565 HydrophobicContact CB-CB 4.33Å; F556-F565 PolarHBondContact N-O 3.34Å; F556-F565 PolarHBondContact O-N 3.26Å; C558-F565 HydrophobicContact CB-CE2 4.18Å; S563-F565 WeakPolarHBondContact O-CD2 3.49Å; S563-F565 VanDerWaalsContact O-CE2 3.28Å; S563-F565 WeakPolarHBondContact O-CE2 3.34Å; F565-A570 HydrophobicContact CB-CB 4.11Å; F565-A570 HydrophobicContact CD1-CB 4.2Å; F565-A570 HydrophobicContact CG-CB 4.48Å; F565-L571 HydrophobicContact CB-CB 4.28Å; F565-L571 HydrophobicContact CD2-CB 4.16Å; F565-L571 HydrophobicContact CD2-CD1 3.83Å; F565-L571 HydrophobicContact CE2-CD1 4.19Å; F565-L571 HydrophobicContact CG-CB 4.37Å; F565-H574 HydrophobicContact CD1-CB 4.39Å; F565-H574 HydrophobicContact CD2-CB 4.45Å; F565-H574 HydrophobicContact CE1-CB 3.77Å; F565-H574 AromaticContact CE1-CG 3.94Å; F565-H574 HydrophobicContact CE2-CB 3.83Å; F565-H574 AromaticContact CE2-CD2 3.39Å; F565-H574 WeakPolarHBondContact CE2-CD2 3.44Å; F565-H574 AromaticContact CE2-CG 3.47Å; F565-H574 VanDerWaalsContact CE2-CG 3.47Å; F565-H574 AromaticContact CE2-ND1 3.96Å; F565-H574 AromaticContact CE2-NE2 3.84Å; F565-H574 HydrophobicContact CZ-CB 3.49Å; F565-H574 VanDerWaalsContact CZ-CB 3.49Å; F565-H574 AromaticContact CZ-CD2 3.58Å; F565-H574 AromaticContact CZ-CE1 3.74Å; F565-H574 AromaticContact CZ-CG 3.16Å; F565-H574 AromaticContact CZ-ND1 3.31Å; F565-H574 VanDerWaalsContact CZ-ND1 3.31Å; F565-H574 WeakPolarHBondContact CZ-ND1 3.41Å; F565-H574 AromaticContact CZ-NE2 3.91Å
566	A	77	Confident	72.8	Confident	72 Å²	72	75 Å²	75	60%	0.595	39%	0.389	S	S	*	.	S	Bend	trans	-75.1	-33.8	177.1	0	0	0	0	0	112.2	F556	F556-A566 WeakPolarHBondContact CD2-O 3.48Å
567	D	80.1	Confident	72.4	Confident	101 Å²	101	75 Å²	75	54%	0.54	39%	0.39	S	S	.	.	S	Bend	trans	-124.6	148	-173.6	-53.1	-73.7	0	0	0	111.9	E569 A570 L571	D567-E569 VanDerWaalsContact C-N 3.29Å; D567-E569 PolarHBondContact O-N 2.87Å; D567-A570 HydrophobicContact CB-CB 4.12Å; D567-A570 WeakPolarHBondContact O-CA 3.23Å; D567-A570 WeakPolarHBondContact O-CB 3.43Å; D567-A570 PolarHBondContact O-N 3.17Å; D567-L571 PolarHBondContact O-N 3.22Å
568	D	78.6	Confident	72.2	Confident	65 Å²	65	74.5 Å²	74.5	35%	0.348	39%	0.394	S	S	.	.	H	α-helix	trans	-56.4	-41.4	170.1	172.2	47.9	0	0	0	111.9	F556 A570 L571 K572	F556-D568 HydrophobicContact CD1-CB 3.94Å; F556-D568 VanDerWaalsContact CD2-N 3.3Å; F556-D568 HydrophobicContact CE1-CB 3.63Å; F556-D568 HydrophobicContact CE2-CB 4.29Å; F556-D568 HydrophobicContact CG-CB 4.41Å; F556-D568 HydrophobicContact CZ-CB 3.81Å; D568-A570 VanDerWaalsContact C-N 3.28Å; D568-A570 PolarHBondContact O-N 3.05Å; D568-L571 PolarHBondContact O-N 2.86Å; D568-K572 WeakPolarHBondContact O-CB 3.48Å; D568-K572 WeakPolarHBondContact O-CG 3.44Å; D568-K572 PolarHBondContact O-N 3.09Å; D568-K572 WeakPolarHBondContact OD1-CE 3.45Å; D568-K572 IonicContact OD1-NZ 2.98Å; D568-K572 PolarHBondContact OD1-NZ 3.05Å; D568-K572 VanDerWaalsContact OD2-CE 3.27Å; D568-K572 WeakPolarHBondContact OD2-CE 3.46Å; D568-K572 IonicContact OD2-NZ 2.59Å; D568-K572 PolarHBondContact OD2-NZ 3.23Å
569	E	78.3	Confident	71.9	Confident	112 Å²	112	76.6 Å²	76.6	52%	0.523	40%	0.403	S	S	.	.	H	α-helix	trans	-63.5	-33.7	174.7	178.5	57.6	-159.5	0	0	111.9	D567 Q573	D567-E569 VanDerWaalsContact C-N 3.29Å; D567-E569 PolarHBondContact O-N 2.87Å; E569-Q573 VanDerWaalsContact O-CB 3.27Å; E569-Q573 WeakPolarHBondContact O-CB 3.47Å; E569-Q573 VanDerWaalsContact O-CG 3.25Å; E569-Q573 WeakPolarHBondContact O-CG 3.5Å; E569-Q573 PolarHBondContact O-N 3.44Å; E569-Q573 WeakPolarHBondContact OE1-CG 3.48Å; E569-Q573 PolarHBondContact OE1-NE2 2.85Å
570	A	76.4	Confident	71.9	Confident	32 Å²	32	72.7 Å²	72.7	26%	0.264	39%	0.386	S	S	.	.	H	α-helix	trans	-72.3	-37.6	174.5	0	0	0	0	0	111.8	F565 D567 D568 H574	F565-A570 HydrophobicContact CB-CB 4.11Å; F565-A570 HydrophobicContact CD1-CB 4.2Å; F565-A570 HydrophobicContact CG-CB 4.48Å; D567-A570 HydrophobicContact CB-CB 4.12Å; D567-A570 WeakPolarHBondContact O-CA 3.23Å; D567-A570 WeakPolarHBondContact O-CB 3.43Å; D567-A570 PolarHBondContact O-N 3.17Å; D568-A570 VanDerWaalsContact C-N 3.28Å; D568-A570 PolarHBondContact O-N 3.05Å; A570-H574 VanDerWaalsContact O-CB 3.28Å; A570-H574 WeakPolarHBondContact O-CB 3.3Å; A570-H574 PolarHBondContact O-N 3.46Å
571	L	76.8	Confident	71.8	Confident	24 Å²	24	72.9 Å²	72.9	13%	0.126	39%	0.391	C	S	.	.	H	α-helix	trans	-64.5	-46.7	170.6	174.5	61.8	0	0	0	111.5	F556 F557 C558 F565 D567 D568 Q573 H574 M575	F556-L571 HydrophobicContact CB-CB 3.82Å; F556-L571 HydrophobicContact CB-CD2 3.84Å; F556-L571 HydrophobicContact CB-CG 4.41Å; F557-L571 WeakPolarHBondContact O-CD1 3.33Å; F557-L571 WeakPolarHBondContact O-CD2 3.42Å; C558-L571 HydrophobicContact CB-CD1 4.05Å; F565-L571 HydrophobicContact CB-CB 4.28Å; F565-L571 HydrophobicContact CD2-CB 4.16Å; F565-L571 HydrophobicContact CD2-CD1 3.83Å; F565-L571 HydrophobicContact CE2-CD1 4.19Å; F565-L571 HydrophobicContact CG-CB 4.37Å; D567-L571 PolarHBondContact O-N 3.22Å; D568-L571 PolarHBondContact O-N 2.86Å; L571-Q573 PolarHBondContact O-N 2.8Å; L571-H574 CarbonylContact O-C 3.25Å; L571-H574 WeakPolarHBondContact O-CA 3.46Å; L571-H574 WeakPolarHBondContact O-CB 3.4Å; L571-H574 PolarHBondContact O-N 3.02Å; L571-H574 VanDerWaalsContact O-N 3.1Å; L571-M575 HydrophobicContact CD1-CE 4.24Å; L571-M575 HydrophobicContact CD1-CG 4.32Å; L571-M575 HydrophobicContact CG-CG 4.48Å; L571-M575 WeakPolarHBondContact O-CG 3.45Å; L571-M575 PolarHBondContact O-N 3.25Å
572	K	73.6	Confident	72	Confident	89 Å²	89	75.5 Å²	75.5	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-43	177.2	-76.6	168.5	173.4	167.6	0	111.7	D568 M575 L576	D568-K572 WeakPolarHBondContact O-CB 3.48Å; D568-K572 WeakPolarHBondContact O-CG 3.44Å; D568-K572 PolarHBondContact O-N 3.09Å; D568-K572 WeakPolarHBondContact OD1-CE 3.45Å; D568-K572 IonicContact OD1-NZ 2.98Å; D568-K572 PolarHBondContact OD1-NZ 3.05Å; D568-K572 VanDerWaalsContact OD2-CE 3.27Å; D568-K572 WeakPolarHBondContact OD2-CE 3.46Å; D568-K572 IonicContact OD2-NZ 2.59Å; D568-K572 PolarHBondContact OD2-NZ 3.23Å; K572-M575 WeakPolarHBondContact O-CB 3.24Å; K572-M575 PolarHBondContact O-N 3.3Å; K572-L576 WeakPolarHBondContact O-CB 3.15Å; K572-L576 WeakPolarHBondContact O-CD1 3.46Å; K572-L576 VanDerWaalsContact O-CG 3.29Å; K572-L576 WeakPolarHBondContact O-CG 3.25Å; K572-L576 PolarHBondContact O-N 3.43Å
573	Q	70	Confident	72.3	Confident	85 Å²	85	72 Å²	72	40%	0.397	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-40.9	171.5	-76.5	-175.1	33.2	0	0	111.9	E569 L571 L576 Q577	E569-Q573 VanDerWaalsContact O-CB 3.27Å; E569-Q573 WeakPolarHBondContact O-CB 3.47Å; E569-Q573 VanDerWaalsContact O-CG 3.25Å; E569-Q573 WeakPolarHBondContact O-CG 3.5Å; E569-Q573 PolarHBondContact O-N 3.44Å; E569-Q573 WeakPolarHBondContact OE1-CG 3.48Å; E569-Q573 PolarHBondContact OE1-NE2 2.85Å; L571-Q573 PolarHBondContact O-N 2.8Å; Q573-L576 PolarHBondContact O-N 3.04Å; Q573-Q577 WeakPolarHBondContact O-CB 3.5Å; Q573-Q577 WeakPolarHBondContact O-CG 3.41Å; Q573-Q577 PolarHBondContact O-N 3.22Å
574	H	77.3	Confident	72.4	Confident	20 Å²	20	74.2 Å²	74.2	9%	0.093	38%	0.383	C	S	.	.	H	α-helix	trans	-63.1	-43.8	174.8	167.5	80.2	0	0	0	112.7	C558 C561 F565 A570 L571 L576 Q577 V578 H579	C558-H574 WeakPolarHBondContact CB-NE2 3.28Å; C558-H574 PolarHBondContact SG-NE2 3.32Å; C561-H574 VanDerWaalsContact SG-CE1 3.56Å; C561-H574 PolarHBondContact SG-NE2 3.4Å; C561-H574 VanDerWaalsContact SG-NE2 3.39Å; F565-H574 HydrophobicContact CD1-CB 4.39Å; F565-H574 HydrophobicContact CD2-CB 4.45Å; F565-H574 HydrophobicContact CE1-CB 3.77Å; F565-H574 AromaticContact CE1-CG 3.94Å; F565-H574 HydrophobicContact CE2-CB 3.83Å; F565-H574 AromaticContact CE2-CD2 3.39Å; F565-H574 WeakPolarHBondContact CE2-CD2 3.44Å; F565-H574 AromaticContact CE2-CG 3.47Å; F565-H574 VanDerWaalsContact CE2-CG 3.47Å; F565-H574 AromaticContact CE2-ND1 3.96Å; F565-H574 AromaticContact CE2-NE2 3.84Å; F565-H574 HydrophobicContact CZ-CB 3.49Å; F565-H574 VanDerWaalsContact CZ-CB 3.49Å; F565-H574 AromaticContact CZ-CD2 3.58Å; F565-H574 AromaticContact CZ-CE1 3.74Å; F565-H574 AromaticContact CZ-CG 3.16Å; F565-H574 AromaticContact CZ-ND1 3.31Å; F565-H574 VanDerWaalsContact CZ-ND1 3.31Å; F565-H574 WeakPolarHBondContact CZ-ND1 3.41Å; F565-H574 AromaticContact CZ-NE2 3.91Å; A570-H574 VanDerWaalsContact O-CB 3.28Å; A570-H574 WeakPolarHBondContact O-CB 3.3Å; A570-H574 PolarHBondContact O-N 3.46Å; L571-H574 CarbonylContact O-C 3.25Å; L571-H574 WeakPolarHBondContact O-CA 3.46Å; L571-H574 WeakPolarHBondContact O-CB 3.4Å; L571-H574 PolarHBondContact O-N 3.02Å; L571-H574 VanDerWaalsContact O-N 3.1Å; H574-L576 PolarHBondContact O-N 2.89Å; H574-Q577 PolarHBondContact O-N 2.19Å; H574-V578 WeakPolarHBondContact O-CB 3.4Å; H574-V578 PolarHBondContact O-N 3.3Å; H574-H579 AromaticContact NE2-CD2 3.87Å; H574-H579 AromaticContact NE2-NE2 3.58Å
575	M	68.9	Low	72.6	Confident	55 Å²	55	73 Å²	73	27%	0.271	38%	0.378	S	S	.	.	I	π-helix	trans	-52.5	-54.4	170.2	-71.3	-72.7	102.4	0	0	110.2	C558 L571 K572 Q577 H579 S580	C558-M575 HydrophobicContact CB-CE 3.97Å; C558-M575 WeakPolarHBondContact SG-CE 3.44Å; L571-M575 HydrophobicContact CD1-CE 4.24Å; L571-M575 HydrophobicContact CD1-CG 4.32Å; L571-M575 HydrophobicContact CG-CG 4.48Å; L571-M575 WeakPolarHBondContact O-CG 3.45Å; L571-M575 PolarHBondContact O-N 3.25Å; K572-M575 WeakPolarHBondContact O-CB 3.24Å; K572-M575 PolarHBondContact O-N 3.3Å; M575-Q577 VanDerWaalsContact C-N 3.29Å; M575-Q577 PolarHBondContact O-N 3.08Å; M575-H579 VanDerWaalsContact CE-CD2 3.48Å; M575-H579 WeakPolarHBondContact CE-CD2 3.41Å; M575-H579 CarbonylContact O-C 3.54Å; M575-H579 WeakPolarHBondContact O-CA 3.08Å; M575-H579 PolarHBondContact O-N 2.78Å; M575-S580 PolarHBondContact O-N 2.81Å; M575-S580 PolarHBondContact O-OG 2.7Å
576	L	69	Low	72.9	Confident	81 Å²	81	70.9 Å²	70.9	42%	0.424	37%	0.369	S	S	.	.	I	π-helix	trans	-62.5	-31.1	178.8	-71.5	164.4	0	0	0	113.9	K572 Q573 H574 S580 P583	K572-L576 WeakPolarHBondContact O-CB 3.15Å; K572-L576 WeakPolarHBondContact O-CD1 3.46Å; K572-L576 VanDerWaalsContact O-CG 3.29Å; K572-L576 WeakPolarHBondContact O-CG 3.25Å; K572-L576 PolarHBondContact O-N 3.43Å; Q573-L576 PolarHBondContact O-N 3.04Å; H574-L576 PolarHBondContact O-N 2.89Å; L576-S580 WeakPolarHBondContact CA-OG 3.32Å; L576-P583 HydrophobicContact CD2-CG 4.38Å
577	Q	62.2	Low	73.1	Confident	68 Å²	68	72.6 Å²	72.6	32%	0.318	37%	0.368	S	S	.	.	I	π-helix	trans	-90	-27.2	-175.4	-74.7	178.5	41.6	0	0	114.5	Q573 H574 M575 R594 Y595	Q573-Q577 WeakPolarHBondContact O-CB 3.5Å; Q573-Q577 WeakPolarHBondContact O-CG 3.41Å; Q573-Q577 PolarHBondContact O-N 3.22Å; H574-Q577 PolarHBondContact O-N 2.19Å; M575-Q577 VanDerWaalsContact C-N 3.29Å; M575-Q577 PolarHBondContact O-N 3.08Å; Q577-R594 WeakPolarHBondContact O-CD 3.38Å; Q577-R594 PolarHBondContact O-NE 3.1Å; Q577-R594 PolarHBondContact O-NH1 3.27Å; Q577-Y595 HydrophobicContact CG-CE1 3.93Å; Q577-Y595 WeakPolarHBondContact CG-OH 3.36Å; Q577-Y595 PolarHBondContact OE1-OH 3.25Å; Q577-Y595 VanDerWaalsContact OE1-OH 3.14Å
578	V	64.7	Low	73.1	Confident	70 Å²	70	76 Å²	76	42%	0.424	37%	0.373	S	S	.	.	I	π-helix	trans	-112.7	-48.9	-175.1	-178.8	0	0	0	0	111.1	H574 R594	H574-V578 WeakPolarHBondContact O-CB 3.4Å; H574-V578 PolarHBondContact O-N 3.3Å; V578-R594 PolarHBondContact O-NH2 3.33Å
579	H	67.2	Low	73.3	Confident	44 Å²	44	75.8 Å²	75.8	20%	0.204	38%	0.376	C	S	.	.	I	π-helix	trans	-97.9	-37.7	-168.1	-61.8	-81.4	0	0	0	113.3	C558 E560 C561 H574 M575	C558-H579 PolarHBondContact SG-NE2 3.09Å; C558-H579 VanDerWaalsContact SG-NE2 3.41Å; E560-H579 WeakPolarHBondContact CB-CE1 3.3Å; E560-H579 VanDerWaalsContact CB-ND1 3.28Å; E560-H579 WeakPolarHBondContact CB-ND1 3.23Å; E560-H579 IonicContact OE1-ND1 3.25Å; E560-H579 IonicContact OE2-CE1 3.74Å; E560-H579 IonicContact OE2-CG 2.77Å; E560-H579 IonicContact OE2-ND1 3.42Å; E560-H579 PolarHBondContact OE2-ND1 3.11Å; C561-H579 PolarHBondContact SG-NE2 3.18Å; H574-H579 AromaticContact NE2-CD2 3.87Å; H574-H579 AromaticContact NE2-NE2 3.58Å; M575-H579 VanDerWaalsContact CE-CD2 3.48Å; M575-H579 WeakPolarHBondContact CE-CD2 3.41Å; M575-H579 CarbonylContact O-C 3.54Å; M575-H579 WeakPolarHBondContact O-CA 3.08Å; M575-H579 PolarHBondContact O-N 2.78Å
580	S	63.7	Low	73.3	Confident	41 Å²	41	76.5 Å²	76.5	29%	0.287	38%	0.38	S	S	.	.	S	Bend	trans	-73.1	142.3	-179	-50.8	0	0	0	0	114.2	M575 L576 K582 R594	M575-S580 PolarHBondContact O-N 2.81Å; M575-S580 PolarHBondContact O-OG 2.7Å; L576-S580 WeakPolarHBondContact CA-OG 3.32Å; S580-K582 VanDerWaalsContact C-N 3.33Å; S580-K582 PolarHBondContact O-N 3.13Å; S580-R594 PolarHBondContact O-NE 3.4Å; S580-R594 PolarHBondContact O-NH2 3.13Å
581	D	63.2	Low	73.4	Confident	144 Å²	144	75.9 Å²	75.9	77%	0.77	37%	0.374	S	S	*	.			trans	-77	75.3	176.6	-90.9	-38.2	0	0	0	112.7
582	K	71.3	Confident	73.5	Confident	107 Å²	107	76.2 Å²	76.2	47%	0.465	38%	0.38	S	S	.	.			trans	45.3	64	158	-61.9	169.1	170.7	-174.8	0	113.7	S580 Y584 A592 F593 R594	S580-K582 VanDerWaalsContact C-N 3.33Å; S580-K582 PolarHBondContact O-N 3.13Å; K582-Y584 VanDerWaalsContact C-N 3.26Å; K582-Y584 PolarHBondContact O-N 2.65Å; K582-A592 HydrophobicContact CB-CB 3.59Å; K582-A592 HydrophobicContact CD-CB 3.99Å; K582-A592 WeakPolarHBondContact CD-O 3.36Å; K582-A592 HydrophobicContact CG-CB 4.46Å; K582-F593 CarbonylContact C-O 3.47Å; K582-F593 VanDerWaalsContact C-O 3.26Å; K582-R594 HydrophobicContact CB-CG 4.47Å; K582-R594 HydrophobicContact CG-CG 4.04Å
583	P	72.9	Confident	73.9	Confident	62 Å²	62	73.6 Å²	73.6	40%	0.403	37%	0.369	S	S	.	.			trans	-59.6	-27.8	-164.2	20.1	-33	0	0	0	115.4	L576 K585	L576-P583 HydrophobicContact CD2-CG 4.38Å; P583-K585 PolarHBondContact O-N 3.28Å; P583-K585 VanDerWaalsContact O-N 3.16Å
584	Y	75.9	Confident	74.1	Confident	92 Å²	92	73.8 Å²	73.8	36%	0.361	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	84.9	-176	-54.7	-74.7	0	0	0	111.6	K582 F593 K596	K582-Y584 VanDerWaalsContact C-N 3.26Å; K582-Y584 PolarHBondContact O-N 2.65Å; Y584-F593 WeakPolarHBondContact CB-O 3.48Å; Y584-F593 WeakPolarHBondContact CD2-O 3.38Å; Y584-F593 PolarHBondContact N-O 2.84Å; Y584-F593 WeakPolarHBondContact O-CD2 3.42Å; Y584-F593 PolarHBondContact O-N 3.14Å; Y584-K596 HydrophobicContact CD1-CB 4.01Å; Y584-K596 HydrophobicContact CD1-CG 4.44Å; Y584-K596 VanDerWaalsContact CD2-N 3.3Å; Y584-K596 HydrophobicContact CE1-CB 3.8Å; Y584-K596 HydrophobicContact CE1-CG 4.34Å; Y584-K596 HydrophobicContact CE2-CB 4.39Å; Y584-K596 HydrophobicContact CG-CB 4.4Å
585	K	79.9	Confident	74.1	Confident	123 Å²	123	78 Å²	78	54%	0.535	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	151.1	177.4	-64.3	171.8	-175.1	169.7	0	112.1	P583 A591 A592 L599	P583-K585 PolarHBondContact O-N 3.28Å; P583-K585 VanDerWaalsContact O-N 3.16Å; K585-A591 CarbonylContact C-O 3.56Å; K585-A592 HydrophobicContact CG-CB 3.98Å; K585-L599 VanDerWaalsContact O-CD2 3.3Å; K585-L599 WeakPolarHBondContact O-CD2 3.5Å
586	C	84.7	Confident	74.5	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.007	40%	0.401	C	S	.	.			trans	-98.7	113.4	174.2	-173.4	0	0	0	0	112	R588 C589 Q590 A591 F593 L599	C586-R588 PolarHBondContact O-N 3.4Å; C586-C589 PolarHBondContact O-N 2.95Å; C586-C589 VanDerWaalsContact O-N 3.13Å; C586-Q590 VanDerWaalsContact O-CA 3.27Å; C586-Q590 WeakPolarHBondContact O-CA 3.17Å; C586-Q590 PolarHBondContact O-N 3Å; C586-A591 WeakPolarHBondContact CB-O 3.48Å; C586-A591 PolarHBondContact N-O 2.93Å; C586-F593 HydrophobicContact CB-CE2 4.36Å; C586-L599 HydrophobicContact CB-CD1 3.61Å
587	D	80	Confident	75	Confident	109 Å²	109	81.1 Å²	81.1	58%	0.583	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-29.8	179.6	-15.8	-63.1	0	0	0	114.5	K603	D587-K603 IonicContact OD1-NZ 2.73Å; D587-K603 WeakPolarHBondContact OD2-CE 3.26Å; D587-K603 IonicContact OD2-NZ 2.78Å; D587-K603 PolarHBondContact OD2-NZ 2.96Å
588	R	80.6	Confident	75.9	Confident	172 Å²	172	80.9 Å²	80.9	65%	0.649	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-19.3	-176.8	-71.8	-172.9	177.6	-172.7	1.5	115.9	C586 H606	C586-R588 PolarHBondContact O-N 3.4Å; R588-H606 PolarHBondContact NH1-O 3.46Å; R588-H606 VanDerWaalsContact NH1-O 3.08Å
589	C	82.4	Confident	76.7	Confident	61 Å²	61	78.5 Å²	78.5	41%	0.412	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	2.1	-177.8	69.7	0	0	0	0	115.1	C586 A591 H602 H606	C586-C589 PolarHBondContact O-N 2.95Å; C586-C589 VanDerWaalsContact O-N 3.13Å; C589-A591 PolarHBondContact O-N 3.2Å; C589-A591 WeakPolarHBondContact SG-CB 3.28Å; C589-H602 PolarHBondContact SG-NE2 3.26Å; C589-H606 PolarHBondContact SG-NE2 3.4Å
590	Q	78	Confident	77.3	Confident	127 Å²	127	79.1 Å²	79.1	59%	0.593	40%	0.403	S	S	*	.			trans	58.3	9.7	-176.7	-55.5	-59	-31.7	0	0	115.6	C586 A592	C586-Q590 VanDerWaalsContact O-CA 3.27Å; C586-Q590 WeakPolarHBondContact O-CA 3.17Å; C586-Q590 PolarHBondContact O-N 3Å; Q590-A592 PolarHBondContact O-N 2.93Å
591	A	79.3	Confident	78.2	Confident	18 Å²	18	78.7 Å²	78.7	15%	0.149	40%	0.4	C	S	.	.			trans	-60.1	131.5	169.7	0	0	0	0	0	110.4	K585 C586 C589 F593	K585-A591 CarbonylContact C-O 3.56Å; C586-A591 WeakPolarHBondContact CB-O 3.48Å; C586-A591 PolarHBondContact N-O 2.93Å; C589-A591 PolarHBondContact O-N 3.2Å; C589-A591 WeakPolarHBondContact SG-CB 3.28Å; A591-F593 HydrophobicContact CB-CE2 3.83Å; A591-F593 HydrophobicContact CB-CZ 3.8Å; A591-F593 WeakPolarHBondContact O-CE2 3.39Å
592	A	79.6	Confident	79.1	Confident	31 Å²	31	73.3 Å²	73.3	26%	0.256	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.7	-169.1	0	0	0	0	0	111.5	K582 K585 Q590	K582-A592 HydrophobicContact CB-CB 3.59Å; K582-A592 HydrophobicContact CD-CB 3.99Å; K582-A592 WeakPolarHBondContact CD-O 3.36Å; K582-A592 HydrophobicContact CG-CB 4.46Å; K585-A592 HydrophobicContact CG-CB 3.98Å; Q590-A592 PolarHBondContact O-N 2.93Å
593	F	80.4	Confident	79.6	Confident	35 Å²	35	72 Å²	72	15%	0.154	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146	-173.5	-57.1	-81.2	0	0	0	111.6	K582 Y584 C586 A591 Y595 N598 L599 H602	K582-F593 CarbonylContact C-O 3.47Å; K582-F593 VanDerWaalsContact C-O 3.26Å; Y584-F593 WeakPolarHBondContact CB-O 3.48Å; Y584-F593 WeakPolarHBondContact CD2-O 3.38Å; Y584-F593 PolarHBondContact N-O 2.84Å; Y584-F593 WeakPolarHBondContact O-CD2 3.42Å; Y584-F593 PolarHBondContact O-N 3.14Å; C586-F593 HydrophobicContact CB-CE2 4.36Å; A591-F593 HydrophobicContact CB-CE2 3.83Å; A591-F593 HydrophobicContact CB-CZ 3.8Å; A591-F593 WeakPolarHBondContact O-CE2 3.39Å; F593-Y595 VanDerWaalsContact C-N 3.34Å; F593-N598 HydrophobicContact CB-CB 4.15Å; F593-N598 HydrophobicContact CD1-CB 4.16Å; F593-N598 HydrophobicContact CG-CB 4.36Å; F593-L599 HydrophobicContact CB-CB 4.38Å; F593-L599 HydrophobicContact CD2-CB 4Å; F593-L599 HydrophobicContact CD2-CD1 3.88Å; F593-L599 HydrophobicContact CE2-CD1 4.15Å; F593-L599 HydrophobicContact CG-CB 4.43Å; F593-H602 HydrophobicContact CE1-CB 4.19Å; F593-H602 HydrophobicContact CE2-CB 3.89Å; F593-H602 AromaticContact CE2-CD2 3.39Å; F593-H602 WeakPolarHBondContact CE2-CD2 3.4Å; F593-H602 AromaticContact CE2-CG 3.52Å; F593-H602 AromaticContact CE2-NE2 3.88Å; F593-H602 HydrophobicContact CZ-CB 3.65Å; F593-H602 AromaticContact CZ-CD2 3.63Å; F593-H602 AromaticContact CZ-CE1 3.87Å; F593-H602 AromaticContact CZ-CG 3.29Å; F593-H602 AromaticContact CZ-ND1 3.47Å; F593-H602 WeakPolarHBondContact CZ-ND1 3.49Å; F593-H602 AromaticContact CZ-NE2 3.96Å
594	R	74.7	Confident	80.1	Confident	88 Å²	88	70.2 Å²	70.2	33%	0.332	35%	0.352	S	S	.	.	S	Bend	trans	-79.2	-10.2	174.5	-75.6	-171.7	163	158.2	-0.3	114.7	Q577 V578 S580 K582	Q577-R594 WeakPolarHBondContact O-CD 3.38Å; Q577-R594 PolarHBondContact O-NE 3.1Å; Q577-R594 PolarHBondContact O-NH1 3.27Å; V578-R594 PolarHBondContact O-NH2 3.33Å; S580-R594 PolarHBondContact O-NE 3.4Å; S580-R594 PolarHBondContact O-NH2 3.13Å; K582-R594 HydrophobicContact CB-CG 4.47Å; K582-R594 HydrophobicContact CG-CG 4.04Å
595	Y	77.6	Confident	80.3	Confident	110 Å²	110	70.3 Å²	70.3	43%	0.431	36%	0.362	S	S	.	.	S	Bend	trans	-136.5	137.9	179.4	-55.2	-65	0	0	0	112.9	Q577 F593 G597 N598 L599	Q577-Y595 HydrophobicContact CG-CE1 3.93Å; Q577-Y595 WeakPolarHBondContact CG-OH 3.36Å; Q577-Y595 PolarHBondContact OE1-OH 3.25Å; Q577-Y595 VanDerWaalsContact OE1-OH 3.14Å; F593-Y595 VanDerWaalsContact C-N 3.34Å; Y595-G597 VanDerWaalsContact C-N 3.26Å; Y595-G597 PolarHBondContact O-N 3.39Å; Y595-N598 WeakPolarHBondContact O-CB 3.49Å; Y595-N598 PolarHBondContact O-N 2.64Å; Y595-L599 PolarHBondContact O-N 2.91Å; Y595-L599 VanDerWaalsContact O-N 3.1Å
596	K	77.8	Confident	80.4	Confident	154 Å²	154	67.5 Å²	67.5	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-54.7	-39.1	175.7	-170.6	171.5	176.7	174.6	0	112.5	Y584 N598 L599 A600	Y584-K596 HydrophobicContact CD1-CB 4.01Å; Y584-K596 HydrophobicContact CD1-CG 4.44Å; Y584-K596 VanDerWaalsContact CD2-N 3.3Å; Y584-K596 HydrophobicContact CE1-CB 3.8Å; Y584-K596 HydrophobicContact CE1-CG 4.34Å; Y584-K596 HydrophobicContact CE2-CB 4.39Å; Y584-K596 HydrophobicContact CG-CB 4.4Å; K596-N598 VanDerWaalsContact C-N 3.35Å; K596-N598 PolarHBondContact O-N 3.2Å; K596-L599 PolarHBondContact O-N 3.16Å; K596-A600 WeakPolarHBondContact O-CB 3.38Å; K596-A600 PolarHBondContact O-N 2.84Å
597	G	78.9	Confident	80.1	Confident	47 Å²	47	70.8 Å²	70.8	49%	0.485	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-30.3	175.3	0	0	0	0	0	114.4	Y595 S601	Y595-G597 VanDerWaalsContact C-N 3.26Å; Y595-G597 PolarHBondContact O-N 3.39Å; G597-S601 VanDerWaalsContact O-CB 3.27Å; G597-S601 WeakPolarHBondContact O-CB 3.42Å; G597-S601 PolarHBondContact O-N 3.16Å; G597-S601 PolarHBondContact O-OG 3.01Å
598	N	81.1	Confident	80.1	Confident	63 Å²	63	68 Å²	68	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-73.9	-40.7	173.3	-84.3	-14.1	0	0	0	111.4	F593 Y595 K596 S601 H602	F593-N598 HydrophobicContact CB-CB 4.15Å; F593-N598 HydrophobicContact CD1-CB 4.16Å; F593-N598 HydrophobicContact CG-CB 4.36Å; Y595-N598 WeakPolarHBondContact O-CB 3.49Å; Y595-N598 PolarHBondContact O-N 2.64Å; K596-N598 VanDerWaalsContact C-N 3.35Å; K596-N598 PolarHBondContact O-N 3.2Å; N598-S601 CarbonylContact O-C 3.47Å; N598-S601 PolarHBondContact O-N 3.09Å; N598-H602 VanDerWaalsContact O-CB 3.27Å; N598-H602 WeakPolarHBondContact O-CB 3.39Å; N598-H602 PolarHBondContact O-N 3.47Å
599	L	81.8	Confident	80	Confident	20 Å²	20	65.3 Å²	65.3	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-46.7	171.7	173.5	61.4	0	0	0	111.2	K585 C586 F593 Y595 K596 S601 H602 K603	K585-L599 VanDerWaalsContact O-CD2 3.3Å; K585-L599 WeakPolarHBondContact O-CD2 3.5Å; C586-L599 HydrophobicContact CB-CD1 3.61Å; F593-L599 HydrophobicContact CB-CB 4.38Å; F593-L599 HydrophobicContact CD2-CB 4Å; F593-L599 HydrophobicContact CD2-CD1 3.88Å; F593-L599 HydrophobicContact CE2-CD1 4.15Å; F593-L599 HydrophobicContact CG-CB 4.43Å; Y595-L599 PolarHBondContact O-N 2.91Å; Y595-L599 VanDerWaalsContact O-N 3.1Å; K596-L599 PolarHBondContact O-N 3.16Å; L599-S601 PolarHBondContact O-N 3.12Å; L599-H602 CarbonylContact O-C 3.54Å; L599-H602 WeakPolarHBondContact O-CA 3.31Å; L599-H602 WeakPolarHBondContact O-CB 3.42Å; L599-H602 PolarHBondContact O-N 3.31Å; L599-K603 HydrophobicContact CD1-CG 4.15Å; L599-K603 HydrophobicContact CG-CG 4.5Å; L599-K603 PolarHBondContact O-N 2.99Å
600	A	80.5	Confident	80	Confident	57 Å²	57	67.7 Å²	67.7	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-58.5	-49.1	176.2	0	0	0	0	0	111.5	K596 H602 K603 T604	K596-A600 WeakPolarHBondContact O-CB 3.38Å; K596-A600 PolarHBondContact O-N 2.84Å; A600-H602 PolarHBondContact O-N 3.49Å; A600-H602 VanDerWaalsContact O-N 3.13Å; A600-K603 PolarHBondContact O-N 3.07Å; A600-T604 PolarHBondContact O-N 2.94Å
601	S	81.5	Confident	80.2	Confident	32 Å²	32	66 Å²	66	22%	0.224	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-10.7	175.1	-57.2	0	0	0	0	114.6	G597 N598 L599 T604	G597-S601 VanDerWaalsContact O-CB 3.27Å; G597-S601 WeakPolarHBondContact O-CB 3.42Å; G597-S601 PolarHBondContact O-N 3.16Å; G597-S601 PolarHBondContact O-OG 3.01Å; N598-S601 CarbonylContact O-C 3.47Å; N598-S601 PolarHBondContact O-N 3.09Å; L599-S601 PolarHBondContact O-N 3.12Å; S601-T604 PolarHBondContact O-OG1 3.19Å
602	H	83.3	Confident	80.4	Confident	31 Å²	31	69.5 Å²	69.5	14%	0.144	38%	0.376	C	S	.	.	H	α-helix	trans	-97.6	-35.7	173.5	165	84.5	0	0	0	111.2	C589 F593 N598 L599 A600 T604 V605 H606	C589-H602 PolarHBondContact SG-NE2 3.26Å; F593-H602 HydrophobicContact CE1-CB 4.19Å; F593-H602 HydrophobicContact CE2-CB 3.89Å; F593-H602 AromaticContact CE2-CD2 3.39Å; F593-H602 WeakPolarHBondContact CE2-CD2 3.4Å; F593-H602 AromaticContact CE2-CG 3.52Å; F593-H602 AromaticContact CE2-NE2 3.88Å; F593-H602 HydrophobicContact CZ-CB 3.65Å; F593-H602 AromaticContact CZ-CD2 3.63Å; F593-H602 AromaticContact CZ-CE1 3.87Å; F593-H602 AromaticContact CZ-CG 3.29Å; F593-H602 AromaticContact CZ-ND1 3.47Å; F593-H602 WeakPolarHBondContact CZ-ND1 3.49Å; F593-H602 AromaticContact CZ-NE2 3.96Å; N598-H602 VanDerWaalsContact O-CB 3.27Å; N598-H602 WeakPolarHBondContact O-CB 3.39Å; N598-H602 PolarHBondContact O-N 3.47Å; L599-H602 CarbonylContact O-C 3.54Å; L599-H602 WeakPolarHBondContact O-CA 3.31Å; L599-H602 WeakPolarHBondContact O-CB 3.42Å; L599-H602 PolarHBondContact O-N 3.31Å; A600-H602 PolarHBondContact O-N 3.49Å; A600-H602 VanDerWaalsContact O-N 3.13Å; H602-T604 PolarHBondContact O-N 3.46Å; H602-V605 WeakPolarHBondContact O-CA 3.48Å; H602-V605 WeakPolarHBondContact O-CB 3.22Å; H602-V605 WeakPolarHBondContact O-CG2 3.43Å; H602-V605 PolarHBondContact O-N 2.9Å; H602-H606 AromaticContact CE1-NE2 3.86Å; H602-H606 AromaticContact NE2-CD2 3.83Å; H602-H606 AromaticContact NE2-NE2 3.37Å; H602-H606 PolarHBondContact NE2-NE2 3.21Å
603	K	81.5	Confident	80.8	Confident	80 Å²	80	74.9 Å²	74.9	35%	0.348	39%	0.389	S	S	.	.	H	α-helix	trans	-57.1	-31.7	173.1	-74.3	-170.7	174.3	-167.4	0	111.9	D587 L599 A600 V605 H606 T607	D587-K603 IonicContact OD1-NZ 2.73Å; D587-K603 WeakPolarHBondContact OD2-CE 3.26Å; D587-K603 IonicContact OD2-NZ 2.78Å; D587-K603 PolarHBondContact OD2-NZ 2.96Å; L599-K603 HydrophobicContact CD1-CG 4.15Å; L599-K603 HydrophobicContact CG-CG 4.5Å; L599-K603 PolarHBondContact O-N 2.99Å; A600-K603 PolarHBondContact O-N 3.07Å; K603-V605 PolarHBondContact O-N 3.3Å; K603-V605 VanDerWaalsContact O-N 3.15Å; K603-H606 WeakPolarHBondContact O-CB 3.41Å; K603-H606 PolarHBondContact O-N 3.34Å; K603-T607 PolarHBondContact O-N 3.46Å
604	T	82.2	Confident	81.3	Confident	23 Å²	23	73.2 Å²	73.2	14%	0.141	38%	0.382	C	S	.	.	H	α-helix	trans	-58.4	-24.6	171.1	70.8	0	0	0	0	114.1	A600 S601 H602 H606 T607 G608 E609 N622	A600-T604 PolarHBondContact O-N 2.94Å; S601-T604 PolarHBondContact O-OG1 3.19Å; H602-T604 PolarHBondContact O-N 3.46Å; T604-H606 VanDerWaalsContact C-N 3.3Å; T604-T607 WeakPolarHBondContact CA-OG1 3.48Å; T604-T607 PolarHBondContact O-OG1 3.09Å; T604-G608 CarbonylContact O-C 3.46Å; T604-G608 WeakPolarHBondContact O-CA 3.48Å; T604-G608 PolarHBondContact O-N 2.86Å; T604-E609 PolarHBondContact O-N 3.32Å; T604-N622 WeakPolarHBondContact OG1-CB 3.5Å
605	V	80.8	Confident	81.9	Confident	94 Å²	94	76.6 Å²	76.6	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-72.3	-28.1	176.4	-174.8	0	0	0	0	110.7	H602 K603	H602-V605 WeakPolarHBondContact O-CA 3.48Å; H602-V605 WeakPolarHBondContact O-CB 3.22Å; H602-V605 WeakPolarHBondContact O-CG2 3.43Å; H602-V605 PolarHBondContact O-N 2.9Å; K603-V605 PolarHBondContact O-N 3.3Å; K603-V605 VanDerWaalsContact O-N 3.15Å
606	H	81	Confident	82.4	Confident	65 Å²	65	77 Å²	77	30%	0.301	42%	0.415	S	S	.	.	H	α-helix	trans	-88.8	-19.8	176.8	-67.1	-57.8	0	0	0	114.4	R588 C589 H602 K603 T604	R588-H606 PolarHBondContact NH1-O 3.46Å; R588-H606 VanDerWaalsContact NH1-O 3.08Å; C589-H606 PolarHBondContact SG-NE2 3.4Å; H602-H606 AromaticContact CE1-NE2 3.86Å; H602-H606 AromaticContact NE2-CD2 3.83Å; H602-H606 AromaticContact NE2-NE2 3.37Å; H602-H606 PolarHBondContact NE2-NE2 3.21Å; K603-H606 WeakPolarHBondContact O-CB 3.41Å; K603-H606 PolarHBondContact O-N 3.34Å; T604-H606 VanDerWaalsContact C-N 3.3Å
607	T	79.1	Confident	82.8	Confident	70 Å²	70	73 Å²	73	43%	0.429	41%	0.406	S	S	.	.	H	α-helix	trans	-94.3	-19.3	171.6	56.7	0	0	0	0	112.3	K603 T604 E609	K603-T607 PolarHBondContact O-N 3.46Å; T604-T607 WeakPolarHBondContact CA-OG1 3.48Å; T604-T607 PolarHBondContact O-OG1 3.09Å; T607-E609 WeakPolarHBondContact CB-OE2 3.4Å; T607-E609 WeakPolarHBondContact CG2-OE2 3.37Å; T607-E609 PolarHBondContact O-N 3.5Å; T607-E609 WeakPolarHBondContact OG1-CB 3.44Å; T607-E609 VanDerWaalsContact OG1-CG 3.31Å; T607-E609 WeakPolarHBondContact OG1-CG 3.46Å; T607-E609 PolarHBondContact OG1-N 3.37Å; T607-E609 PolarHBondContact OG1-OE2 3.47Å
608	G	79.6	Confident	83.1	Confident	51 Å²	51	72.3 Å²	72.3	53%	0.526	40%	0.399	S	S	.	.			trans	78.5	-0.2	-173.7	0	0	0	0	0	113.9	T604	T604-G608 CarbonylContact O-C 3.46Å; T604-G608 WeakPolarHBondContact O-CA 3.48Å; T604-G608 PolarHBondContact O-N 2.86Å
609	E	79	Confident	83.4	Confident	115 Å²	115	71 Å²	71	54%	0.537	40%	0.396	S	S	.	.			trans	-64.7	133.6	-174.8	-68.9	163	143	0	0	112	T604 T607	T604-E609 PolarHBondContact O-N 3.32Å; T607-E609 WeakPolarHBondContact CB-OE2 3.4Å; T607-E609 WeakPolarHBondContact CG2-OE2 3.37Å; T607-E609 PolarHBondContact O-N 3.5Å; T607-E609 WeakPolarHBondContact OG1-CB 3.44Å; T607-E609 VanDerWaalsContact OG1-CG 3.31Å; T607-E609 WeakPolarHBondContact OG1-CG 3.46Å; T607-E609 PolarHBondContact OG1-N 3.37Å; T607-E609 PolarHBondContact OG1-OE2 3.47Å
610	K	82.9	Confident	83.7	Confident	111 Å²	111	74.5 Å²	74.5	48%	0.483	41%	0.413	S	S	.	.			trans	-134.6	71.1	-179.2	-67.1	166.4	175.7	-179	0	109.8	Y612 Q620 F621	K610-Y612 PolarHBondContact O-N 3.33Å; K610-Y612 VanDerWaalsContact O-N 3.16Å; K610-Q620 HydrophobicContact CB-CB 3.56Å; K610-Q620 HydrophobicContact CD-CB 4.14Å; K610-Q620 HydrophobicContact CG-CB 4.49Å; K610-F621 CarbonylContact C-O 3.33Å; K610-F621 VanDerWaalsContact CA-O 3.23Å; K610-F621 WeakPolarHBondContact CA-O 3.46Å
611	P	81.3	Confident	83.9	Confident	90 Å²	90	73.9 Å²	73.9	58%	0.584	40%	0.399	S	S	*	.			trans	-64.8	-19.8	-171.4	24	-33.2	0	0	0	113.9	R613	P611-R613 PolarHBondContact O-N 2.86Å
612	Y	84.5	Confident	84	Confident	93 Å²	93	74.4 Å²	74.4	37%	0.365	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	88.7	-177.3	-54.9	-78.6	0	0	0	111	K610 F621 R623 P624	K610-Y612 PolarHBondContact O-N 3.33Å; K610-Y612 VanDerWaalsContact O-N 3.16Å; Y612-F621 WeakPolarHBondContact CB-O 3.24Å; Y612-F621 WeakPolarHBondContact CD2-O 3.48Å; Y612-F621 PolarHBondContact N-O 2.83Å; Y612-F621 VanDerWaalsContact N-O 3.1Å; Y612-F621 PolarHBondContact O-N 3.31Å; Y612-R623 VanDerWaalsContact CD2-C 3.47Å; Y612-P624 HydrophobicContact CD1-CB 3.9Å; Y612-P624 HydrophobicContact CE1-CB 3.7Å; Y612-P624 HydrophobicContact CE1-CG 4.13Å; Y612-P624 HydrophobicContact CG-CB 4.47Å
613	R	87.6	Confident	84	Confident	143 Å²	143	77 Å²	77	54%	0.54	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	142.4	173.1	175.6	169.2	-83.2	-172.2	2.6	111.6	P611 G618 A619 Q620 L627	P611-R613 PolarHBondContact O-N 2.86Å; R613-G618 PolarHBondContact NE-O 3.07Å; R613-A619 CarbonylContact C-O 3.55Å; R613-Q620 HydrophobicContact CB-CG 4.12Å; R613-Q620 HydrophobicContact CG-CG 4.44Å; R613-L627 WeakPolarHBondContact O-CD2 3.34Å
614	C	90.5	Very high	84	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.007	41%	0.414	C	S	.	.			trans	-85	123.4	165.1	-177.7	0	0	0	0	110.4	I616 G618 A619 F621 L627	C614-I616 PolarHBondContact O-N 3.23Å; C614-G618 VanDerWaalsContact O-CA 3.26Å; C614-G618 WeakPolarHBondContact O-CA 3.43Å; C614-G618 PolarHBondContact O-N 3.5Å; C614-A619 HydrophobicContact CB-CB 4.46Å; C614-A619 WeakPolarHBondContact CB-O 3.44Å; C614-A619 PolarHBondContact N-O 2.86Å; C614-F621 HydrophobicContact CB-CE2 4.3Å; C614-L627 HydrophobicContact CB-CD1 3.63Å
615	N	87.2	Confident	84	Confident	159 Å²	159	78.4 Å²	78.4	85%	0.85	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.6	-176.7	-61.4	-0.6	0	0	0	113.5
616	I	87.3	Confident	84.3	Confident	118 Å²	118	76.9 Å²	76.9	61%	0.605	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-38.1	-173.9	-55.9	175.6	0	0	0	111.9	C614 H634	C614-I616 PolarHBondContact O-N 3.23Å; I616-H634 HydrophobicContact CD1-CB 3.52Å; I616-H634 HydrophobicContact CG2-CB 4.24Å
617	C	87.4	Confident	84.6	Confident	69 Å²	69	75.3 Å²	75.3	47%	0.466	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	13.2	-175.3	73.8	0	0	0	0	114.2	A619 H630 H634	C617-A619 PolarHBondContact O-N 3.09Å; C617-A619 VanDerWaalsContact SG-CB 3.57Å; C617-H630 PolarHBondContact SG-NE2 3.07Å; C617-H634 PolarHBondContact SG-NE2 3.28Å; C617-H634 VanDerWaalsContact SG-NE2 3.43Å
618	G	85.9	Confident	84.9	Confident	34 Å²	34	79 Å²	79	35%	0.351	42%	0.424	S	S	.	.			trans	68.2	-8.9	179	0	0	0	0	0	116.3	R613 C614 Q620	R613-G618 PolarHBondContact NE-O 3.07Å; C614-G618 VanDerWaalsContact O-CA 3.26Å; C614-G618 WeakPolarHBondContact O-CA 3.43Å; C614-G618 PolarHBondContact O-N 3.5Å; G618-Q620 PolarHBondContact O-N 3.16Å
619	A	86.7	Confident	85.3	Confident	34 Å²	34	78.5 Å²	78.5	28%	0.281	41%	0.41	S	S	.	.			trans	-59.2	131.8	-175.2	0	0	0	0	0	111.9	R613 C614 C617 F621	R613-A619 CarbonylContact C-O 3.55Å; C614-A619 HydrophobicContact CB-CB 4.46Å; C614-A619 WeakPolarHBondContact CB-O 3.44Å; C614-A619 PolarHBondContact N-O 2.86Å; C617-A619 PolarHBondContact O-N 3.09Å; C617-A619 VanDerWaalsContact SG-CB 3.57Å; A619-F621 HydrophobicContact CB-CE2 3.91Å; A619-F621 HydrophobicContact CB-CZ 4.05Å; A619-F621 WeakPolarHBondContact O-CE2 3.33Å
620	Q	87.6	Confident	85.7	Confident	95 Å²	95	74.5 Å²	74.5	44%	0.444	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.6	-173.9	-68.1	176.3	-42.4	0	0	112.3	K610 R613 G618	K610-Q620 HydrophobicContact CB-CB 3.56Å; K610-Q620 HydrophobicContact CD-CB 4.14Å; K610-Q620 HydrophobicContact CG-CB 4.49Å; R613-Q620 HydrophobicContact CB-CG 4.12Å; R613-Q620 HydrophobicContact CG-CG 4.44Å; G618-Q620 PolarHBondContact O-N 3.16Å
621	F	85.7	Confident	85.9	Confident	44 Å²	44	71.6 Å²	71.6	19%	0.193	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154	-176.7	-58	-86.4	0	0	0	111.6	K610 Y612 C614 A619 N626 L627 H630	K610-F621 CarbonylContact C-O 3.33Å; K610-F621 VanDerWaalsContact CA-O 3.23Å; K610-F621 WeakPolarHBondContact CA-O 3.46Å; Y612-F621 WeakPolarHBondContact CB-O 3.24Å; Y612-F621 WeakPolarHBondContact CD2-O 3.48Å; Y612-F621 PolarHBondContact N-O 2.83Å; Y612-F621 VanDerWaalsContact N-O 3.1Å; Y612-F621 PolarHBondContact O-N 3.31Å; C614-F621 HydrophobicContact CB-CE2 4.3Å; A619-F621 HydrophobicContact CB-CE2 3.91Å; A619-F621 HydrophobicContact CB-CZ 4.05Å; A619-F621 WeakPolarHBondContact O-CE2 3.33Å; F621-N626 HydrophobicContact CB-CB 4.15Å; F621-N626 HydrophobicContact CD1-CB 4.04Å; F621-N626 HydrophobicContact CG-CB 4.36Å; F621-L627 HydrophobicContact CB-CB 4.37Å; F621-L627 HydrophobicContact CD2-CB 4.02Å; F621-L627 HydrophobicContact CD2-CD1 3.9Å; F621-L627 HydrophobicContact CE2-CD1 4.1Å; F621-L627 HydrophobicContact CG-CB 4.36Å; F621-H630 HydrophobicContact CE1-CB 4.05Å; F621-H630 HydrophobicContact CE2-CB 3.97Å; F621-H630 AromaticContact CE2-CD2 3.41Å; F621-H630 VanDerWaalsContact CE2-CD2 3.41Å; F621-H630 WeakPolarHBondContact CE2-CD2 3.39Å; F621-H630 AromaticContact CE2-CG 3.64Å; F621-H630 HydrophobicContact CZ-CB 3.56Å; F621-H630 AromaticContact CZ-CD2 3.5Å; F621-H630 VanDerWaalsContact CZ-CD2 3.5Å; F621-H630 WeakPolarHBondContact CZ-CD2 3.36Å; F621-H630 AromaticContact CZ-CG 3.25Å; F621-H630 AromaticContact CZ-ND1 3.65Å; F621-H630 AromaticContact CZ-NE2 3.99Å
622	N	82.9	Confident	86.3	Confident	43 Å²	43	69.3 Å²	69.3	23%	0.23	36%	0.363	C	S	.	.	S	Bend	trans	-90.5	-7.1	178.9	65.9	-28.2	0	0	0	114.3	T604 N626	T604-N622 WeakPolarHBondContact OG1-CB 3.5Å; N622-N626 PolarHBondContact OD1-ND2 3.21Å; N622-N626 VanDerWaalsContact OD1-ND2 3.09Å
623	R	82.7	Confident	86.4	Confident	84 Å²	84	70.2 Å²	70.2	32%	0.317	37%	0.373	S	S	.	.	S	Bend	trans	-139.9	144.3	179.3	-63.4	-177.7	-179.2	-165.8	-6.5	110.4	Y612 A625 N626 L627	Y612-R623 VanDerWaalsContact CD2-C 3.47Å; R623-A625 VanDerWaalsContact C-N 3.32Å; R623-A625 PolarHBondContact O-N 2.78Å; R623-N626 HydrophobicContact CB-CB 4.3Å; R623-N626 WeakPolarHBondContact O-CB 3.41Å; R623-N626 PolarHBondContact O-N 3.39Å; R623-L627 PolarHBondContact O-N 3.12Å
624	P	81.9	Confident	86.3	Confident	73 Å²	73	66.8 Å²	66.8	47%	0.474	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-34.2	180	26.9	-31.6	0	0	0	111.6	Y612 N626 L627 K628	Y612-P624 HydrophobicContact CD1-CB 3.9Å; Y612-P624 HydrophobicContact CE1-CB 3.7Å; Y612-P624 HydrophobicContact CE1-CG 4.13Å; Y612-P624 HydrophobicContact CG-CB 4.47Å; P624-N626 VanDerWaalsContact C-N 3.32Å; P624-N626 PolarHBondContact O-N 2.88Å; P624-L627 PolarHBondContact O-N 3.48Å; P624-K628 PolarHBondContact O-N 2.86Å
625	A	83.3	Confident	86	Confident	61 Å²	61	70 Å²	70	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-60.2	-39.8	173.4	0	0	0	0	0	112.3	R623 K628 T629	R623-A625 VanDerWaalsContact C-N 3.32Å; R623-A625 PolarHBondContact O-N 2.78Å; A625-K628 PolarHBondContact O-N 3.03Å; A625-T629 WeakPolarHBondContact O-CG2 3.28Å; A625-T629 PolarHBondContact O-N 2.64Å; A625-T629 PolarHBondContact O-OG1 3.46Å
626	N	85.8	Confident	85.9	Confident	62 Å²	62	64.5 Å²	64.5	33%	0.332	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-46.3	177.4	-68.2	-5.3	0	0	0	110.2	F621 N622 R623 P624 K628 T629 H630	F621-N626 HydrophobicContact CB-CB 4.15Å; F621-N626 HydrophobicContact CD1-CB 4.04Å; F621-N626 HydrophobicContact CG-CB 4.36Å; N622-N626 PolarHBondContact OD1-ND2 3.21Å; N622-N626 VanDerWaalsContact OD1-ND2 3.09Å; R623-N626 HydrophobicContact CB-CB 4.3Å; R623-N626 WeakPolarHBondContact O-CB 3.41Å; R623-N626 PolarHBondContact O-N 3.39Å; P624-N626 VanDerWaalsContact C-N 3.32Å; P624-N626 PolarHBondContact O-N 2.88Å; N626-K628 PolarHBondContact O-N 3Å; N626-T629 PolarHBondContact O-N 2.94Å; N626-T629 PolarHBondContact O-OG1 3.22Å; N626-H630 WeakPolarHBondContact O-CB 3.44Å; N626-H630 PolarHBondContact O-N 3.28Å
627	L	88.1	Confident	85.9	Confident	32 Å²	32	63.3 Å²	63.3	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-57.5	-48.2	173	174.3	59.7	0	0	0	111.7	R613 C614 F621 R623 P624 T629 H630 T631	R613-L627 WeakPolarHBondContact O-CD2 3.34Å; C614-L627 HydrophobicContact CB-CD1 3.63Å; F621-L627 HydrophobicContact CB-CB 4.37Å; F621-L627 HydrophobicContact CD2-CB 4.02Å; F621-L627 HydrophobicContact CD2-CD1 3.9Å; F621-L627 HydrophobicContact CE2-CD1 4.1Å; F621-L627 HydrophobicContact CG-CB 4.36Å; R623-L627 PolarHBondContact O-N 3.12Å; P624-L627 PolarHBondContact O-N 3.48Å; L627-T629 VanDerWaalsContact C-N 3.29Å; L627-T629 PolarHBondContact O-N 3.32Å; L627-H630 CarbonylContact O-C 3.54Å; L627-H630 WeakPolarHBondContact O-CA 3.26Å; L627-H630 WeakPolarHBondContact O-CB 3.46Å; L627-H630 PolarHBondContact O-N 3.43Å; L627-T631 HydrophobicContact CD1-CG2 4Å; L627-T631 HydrophobicContact CG-CG2 4.43Å; L627-T631 PolarHBondContact O-N 3.3Å; L627-T631 PolarHBondContact O-OG1 2.75Å
628	K	86	Confident	85.9	Confident	147 Å²	147	65 Å²	65	64%	0.639	36%	0.357	S	S	*	.	H	α-helix	trans	-63.1	-30.2	178.7	-171.6	169.5	-177.4	172.9	0	113.3	P624 A625 N626 T631	P624-K628 PolarHBondContact O-N 2.86Å; A625-K628 PolarHBondContact O-N 3.03Å; N626-K628 PolarHBondContact O-N 3Å; K628-T631 PolarHBondContact O-OG1 3.17Å; K628-T631 VanDerWaalsContact O-OG1 3.12Å
629	T	86.9	Confident	85.9	Confident	41 Å²	41	64.8 Å²	64.8	25%	0.252	35%	0.35	S	S	.	.	H	α-helix	trans	-78.1	-21.8	170.8	62.8	0	0	0	0	113.7	A625 N626 L627 Q651	A625-T629 WeakPolarHBondContact O-CG2 3.28Å; A625-T629 PolarHBondContact O-N 2.64Å; A625-T629 PolarHBondContact O-OG1 3.46Å; N626-T629 PolarHBondContact O-N 2.94Å; N626-T629 PolarHBondContact O-OG1 3.22Å; L627-T629 VanDerWaalsContact C-N 3.29Å; L627-T629 PolarHBondContact O-N 3.32Å; T629-Q651 HydrophobicContact CG2-CG 4.41Å
630	H	87.9	Confident	86	Confident	30 Å²	30	65.5 Å²	65.5	14%	0.139	35%	0.346	C	S	.	.	H	α-helix	trans	-83.6	-36.6	176.4	168.1	75.3	0	0	0	112.4	C617 F621 N626 L627 R632 I633 H634	C617-H630 PolarHBondContact SG-NE2 3.07Å; F621-H630 HydrophobicContact CE1-CB 4.05Å; F621-H630 HydrophobicContact CE2-CB 3.97Å; F621-H630 AromaticContact CE2-CD2 3.41Å; F621-H630 VanDerWaalsContact CE2-CD2 3.41Å; F621-H630 WeakPolarHBondContact CE2-CD2 3.39Å; F621-H630 AromaticContact CE2-CG 3.64Å; F621-H630 HydrophobicContact CZ-CB 3.56Å; F621-H630 AromaticContact CZ-CD2 3.5Å; F621-H630 VanDerWaalsContact CZ-CD2 3.5Å; F621-H630 WeakPolarHBondContact CZ-CD2 3.36Å; F621-H630 AromaticContact CZ-CG 3.25Å; F621-H630 AromaticContact CZ-ND1 3.65Å; F621-H630 AromaticContact CZ-NE2 3.99Å; N626-H630 WeakPolarHBondContact O-CB 3.44Å; N626-H630 PolarHBondContact O-N 3.28Å; L627-H630 CarbonylContact O-C 3.54Å; L627-H630 WeakPolarHBondContact O-CA 3.26Å; L627-H630 WeakPolarHBondContact O-CB 3.46Å; L627-H630 PolarHBondContact O-N 3.43Å; H630-R632 PolarHBondContact O-N 3.48Å; H630-I633 VanDerWaalsContact O-CB 3.24Å; H630-I633 WeakPolarHBondContact O-CB 3.39Å; H630-I633 WeakPolarHBondContact O-CG1 3.26Å; H630-I633 PolarHBondContact O-N 3.38Å; H630-H634 AromaticContact CD2-NE2 3.89Å; H630-H634 AromaticContact CE1-NE2 3.52Å; H630-H634 AromaticContact NE2-CD2 3.9Å; H630-H634 AromaticContact NE2-NE2 3.07Å; H630-H634 PolarHBondContact NE2-NE2 2.91Å
631	T	86.5	Confident	86.1	Confident	50 Å²	50	66.3 Å²	66.3	31%	0.307	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-31	176.8	49.9	0	0	0	0	112.5	L627 K628 I633 H634 S635	L627-T631 HydrophobicContact CD1-CG2 4Å; L627-T631 HydrophobicContact CG-CG2 4.43Å; L627-T631 PolarHBondContact O-N 3.3Å; L627-T631 PolarHBondContact O-OG1 2.75Å; K628-T631 PolarHBondContact O-OG1 3.17Å; K628-T631 VanDerWaalsContact O-OG1 3.12Å; T631-I633 PolarHBondContact O-N 2.78Å; T631-I633 VanDerWaalsContact O-N 3.16Å; T631-H634 WeakPolarHBondContact O-CB 3.06Å; T631-H634 PolarHBondContact O-N 3.49Å; T631-S635 PolarHBondContact O-N 2.96Å; T631-S635 VanDerWaalsContact O-N 3.07Å
632	R	89.1	Confident	86.3	Confident	42 Å²	42	64.3 Å²	64.3	16%	0.158	34%	0.339	C	S	.	.	H	α-helix	trans	-58.6	-20.1	170.9	-68	-171.8	172.9	155.7	2.2	115.3	H630 H634 S635 G636 E637 V650	H630-R632 PolarHBondContact O-N 3.48Å; R632-H634 VanDerWaalsContact C-N 3.33Å; R632-S635 WeakPolarHBondContact CA-OG 3.5Å; R632-G636 CarbonylContact O-C 3.56Å; R632-G636 WeakPolarHBondContact O-CA 3.47Å; R632-G636 PolarHBondContact O-N 3.27Å; R632-G636 VanDerWaalsContact O-N 3.09Å; R632-E637 HydrophobicContact CB-CB 3.91Å; R632-E637 HydrophobicContact CG-CB 3.75Å; R632-E637 IonicContact NE-OE2 3.81Å; R632-E637 PolarHBondContact NE-OE2 3.45Å; R632-E637 PolarHBondContact O-N 2.77Å; R632-V650 HydrophobicContact CB-CG1 3.56Å; R632-V650 HydrophobicContact CG-CG1 4.32Å; R632-V650 PolarHBondContact NH1-O 2.92Å; R632-V650 VanDerWaalsContact NH1-O 3.13Å
633	I	86.6	Confident	86.5	Confident	113 Å²	113	66.8 Å²	66.8	58%	0.579	35%	0.349	S	S	*	.	H	α-helix	trans	-71.4	-34.8	173.4	-56.9	177.4	0	0	0	109.8	H630 T631	H630-I633 VanDerWaalsContact O-CB 3.24Å; H630-I633 WeakPolarHBondContact O-CB 3.39Å; H630-I633 WeakPolarHBondContact O-CG1 3.26Å; H630-I633 PolarHBondContact O-N 3.38Å; T631-I633 PolarHBondContact O-N 2.78Å; T631-I633 VanDerWaalsContact O-N 3.16Å
634	H	86.1	Confident	86.6	Confident	71 Å²	71	67 Å²	67	33%	0.329	36%	0.36	S	S	.	.	H	α-helix	trans	-83.1	-38.5	179	-54.7	-62	0	0	0	112.6	I616 C617 H630 T631 R632 G636	I616-H634 HydrophobicContact CD1-CB 3.52Å; I616-H634 HydrophobicContact CG2-CB 4.24Å; C617-H634 PolarHBondContact SG-NE2 3.28Å; C617-H634 VanDerWaalsContact SG-NE2 3.43Å; H630-H634 AromaticContact CD2-NE2 3.89Å; H630-H634 AromaticContact CE1-NE2 3.52Å; H630-H634 AromaticContact NE2-CD2 3.9Å; H630-H634 AromaticContact NE2-NE2 3.07Å; H630-H634 PolarHBondContact NE2-NE2 2.91Å; T631-H634 WeakPolarHBondContact O-CB 3.06Å; T631-H634 PolarHBondContact O-N 3.49Å; R632-H634 VanDerWaalsContact C-N 3.33Å; H634-G636 VanDerWaalsContact C-N 3.27Å; H634-G636 PolarHBondContact O-N 3.14Å
635	S	85.2	Confident	86.8	Confident	69 Å²	69	66.6 Å²	66.6	48%	0.483	36%	0.358	S	S	.	.	S	Bend	trans	-79.4	-6	173.9	62	0	0	0	0	113.9	T631 R632 E637	T631-S635 PolarHBondContact O-N 2.96Å; T631-S635 VanDerWaalsContact O-N 3.07Å; R632-S635 WeakPolarHBondContact CA-OG 3.5Å; S635-E637 WeakPolarHBondContact CB-OE1 3.28Å; S635-E637 PolarHBondContact O-N 2.78Å; S635-E637 VanDerWaalsContact O-N 3.13Å; S635-E637 WeakPolarHBondContact OG-CG 3.23Å; S635-E637 PolarHBondContact OG-OE1 3.17Å
636	G	85.1	Confident	87	Confident	43 Å²	43	65.3 Å²	65.3	44%	0.443	35%	0.351	S	S	.	.			trans	70.3	-0.6	-176.5	0	0	0	0	0	115.1	R632 H634 K638	R632-G636 CarbonylContact O-C 3.56Å; R632-G636 WeakPolarHBondContact O-CA 3.47Å; R632-G636 PolarHBondContact O-N 3.27Å; R632-G636 VanDerWaalsContact O-N 3.09Å; H634-G636 VanDerWaalsContact C-N 3.27Å; H634-G636 PolarHBondContact O-N 3.14Å; G636-K638 WeakPolarHBondContact O-CG 3.48Å; G636-K638 PolarHBondContact O-N 2.93Å; G636-K638 VanDerWaalsContact O-N 3.17Å
637	E	86.5	Confident	87.1	Confident	93 Å²	93	64 Å²	64	44%	0.435	35%	0.349	S	S	.	.			trans	-51.9	114.4	-178.4	-86.2	170.2	-108.4	0	0	113	R632 S635	R632-E637 HydrophobicContact CB-CB 3.91Å; R632-E637 HydrophobicContact CG-CB 3.75Å; R632-E637 IonicContact NE-OE2 3.81Å; R632-E637 PolarHBondContact NE-OE2 3.45Å; R632-E637 PolarHBondContact O-N 2.77Å; S635-E637 WeakPolarHBondContact CB-OE1 3.28Å; S635-E637 PolarHBondContact O-N 2.78Å; S635-E637 VanDerWaalsContact O-N 3.13Å; S635-E637 WeakPolarHBondContact OG-CG 3.23Å; S635-E637 PolarHBondContact OG-OE1 3.17Å
638	K	87.9	Confident	87.1	Confident	103 Å²	103	69.4 Å²	69.4	45%	0.448	37%	0.367	S	S	.	.			trans	-123.8	81.5	173.3	-68.2	156.8	-176.2	170.7	0	109.2	G636 Y640 R648 F649 V650	G636-K638 WeakPolarHBondContact O-CG 3.48Å; G636-K638 PolarHBondContact O-N 2.93Å; G636-K638 VanDerWaalsContact O-N 3.17Å; K638-Y640 VanDerWaalsContact C-N 3.33Å; K638-Y640 PolarHBondContact O-N 3.29Å; K638-R648 HydrophobicContact CB-CB 3.5Å; K638-R648 HydrophobicContact CD-CB 4.27Å; K638-R648 HydrophobicContact CG-CB 4.42Å; K638-R648 PolarHBondContact O-NE 3.25Å; K638-R648 PolarHBondContact O-NH2 2.93Å; K638-F649 CarbonylContact C-O 3.55Å; K638-F649 WeakPolarHBondContact CA-O 3.5Å; K638-V650 HydrophobicContact CG-CG2 3.94Å
639	P	86.1	Confident	87.2	Confident	30 Å²	30	64.4 Å²	64.4	20%	0.195	35%	0.345	C	S	.	.			trans	-61.9	-40.8	-174.4	-22.9	34.1	0	0	0	112.4	K641 F649	P639-K641 PolarHBondContact O-N 3.18Å; P639-F649 WeakPolarHBondContact CD-O 3.43Å
640	Y	89	Confident	87.2	Confident	50 Å²	50	63.8 Å²	63.8	20%	0.196	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	105.8	-167.5	-48.5	-69.7	0	0	0	111	L493 K638 R648 F649 V650 Q651 V652	L493-Y640 HydrophobicContact CD2-CD1 3.81Å; L493-Y640 HydrophobicContact CD2-CE1 3.99Å; K638-Y640 VanDerWaalsContact C-N 3.33Å; K638-Y640 PolarHBondContact O-N 3.29Å; Y640-R648 CarbonylContact O-C 3.58Å; Y640-R648 WeakPolarHBondContact O-CA 3.31Å; Y640-F649 WeakPolarHBondContact CD2-O 3.39Å; Y640-F649 PolarHBondContact N-O 3.43Å; Y640-F649 PolarHBondContact O-N 2.87Å; Y640-V650 WeakPolarHBondContact CE2-O 3.4Å; Y640-Q651 VanDerWaalsContact CD2-C 3.42Å; Y640-V652 HydrophobicContact CD1-CG2 3.67Å; Y640-V652 HydrophobicContact CD2-CG2 4.24Å; Y640-V652 HydrophobicContact CE1-CG2 3.37Å; Y640-V652 HydrophobicContact CE2-CG2 3.98Å; Y640-V652 HydrophobicContact CG-CG2 4.09Å
641	K	88.3	Confident	87.1	Confident	112 Å²	112	65.3 Å²	65.3	49%	0.487	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.1	176.8	-176	-174.8	174	-168.1	0	110	P639 R648	P639-K641 PolarHBondContact O-N 3.18Å; K641-R648 HydrophobicContact CB-CG 4.35Å; K641-R648 HydrophobicContact CG-CG 4.34Å
642	C	90.6	Very high	87	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.007	35%	0.345	C	S	.	.			trans	-83.2	123.3	163	-176.9	0	0	0	0	109.1	G646 A647 F649 L655 H662	C642-G646 WeakPolarHBondContact O-CA 3.22Å; C642-G646 PolarHBondContact O-N 3.42Å; C642-A647 WeakPolarHBondContact CB-O 3.32Å; C642-A647 PolarHBondContact N-O 2.76Å; C642-F649 HydrophobicContact CB-CE2 4.22Å; C642-L655 HydrophobicContact CB-CD1 3.56Å; C642-H662 PolarHBondContact SG-NE2 3.31Å; C642-H662 VanDerWaalsContact SG-NE2 3.44Å
643	E	86.4	Confident	86.7	Confident	96 Å²	96	65.6 Å²	65.6	45%	0.449	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-39.5	-178.7	-62.6	178.7	134.2	0	0	111.7	S491 A492 C645	S491-E643 VanDerWaalsContact C-OE1 3.32Å; S491-E643 VanDerWaalsContact CB-OE2 3.28Å; S491-E643 WeakPolarHBondContact CB-OE2 3.43Å; S491-E643 PolarHBondContact OG-OE2 3.26Å; A492-E643 HydrophobicContact CB-CG 3.9Å; A492-E643 PolarHBondContact N-OE2 2.89Å; E643-C645 VanDerWaalsContact C-N 3.29Å; E643-C645 PolarHBondContact O-N 3.5Å
644	T	85.1	Confident	86.7	Confident	88 Å²	88	65 Å²	65	54%	0.54	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.1	-175.7	-34.3	0	0	0	0	114.7	H662	T644-H662 HydrophobicContact CG2-CB 4.03Å
645	C	87.3	Confident	86.8	Confident	65 Å²	65	61.6 Å²	61.6	44%	0.439	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	5.9	-175	70	0	0	0	0	115	E643 A647 H658 H662	E643-C645 VanDerWaalsContact C-N 3.29Å; E643-C645 PolarHBondContact O-N 3.5Å; C645-A647 PolarHBondContact O-N 3.29Å; C645-A647 VanDerWaalsContact SG-CB 3.55Å; C645-H658 PolarHBondContact SG-NE2 2.9Å; C645-H662 PolarHBondContact SG-NE2 3.44Å; C645-H662 VanDerWaalsContact SG-NE2 3.42Å
646	G	86.8	Confident	86.8	Confident	34 Å²	34	63.6 Å²	63.6	35%	0.351	34%	0.337	S	S	.	.			trans	71.3	-10.7	-178.3	0	0	0	0	0	116.5	C642 R648	C642-G646 WeakPolarHBondContact O-CA 3.22Å; C642-G646 PolarHBondContact O-N 3.42Å; G646-R648 WeakPolarHBondContact O-CG 3.47Å; G646-R648 PolarHBondContact O-N 3.28Å
647	A	87.6	Confident	86.7	Confident	34 Å²	34	63 Å²	63	28%	0.281	33%	0.328	S	S	.	.			trans	-58.9	132.4	-175.6	0	0	0	0	0	112.3	C642 C645 F649	C642-A647 WeakPolarHBondContact CB-O 3.32Å; C642-A647 PolarHBondContact N-O 2.76Å; C645-A647 PolarHBondContact O-N 3.29Å; C645-A647 VanDerWaalsContact SG-CB 3.55Å; A647-F649 HydrophobicContact CB-CE2 3.86Å; A647-F649 HydrophobicContact CB-CZ 3.9Å; A647-F649 VanDerWaalsContact O-CE2 3.29Å; A647-F649 WeakPolarHBondContact O-CE2 3.49Å
648	R	88.7	Confident	86.8	Confident	146 Å²	146	60.1 Å²	60.1	55%	0.551	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.7	-174.3	-54.4	-175.9	65.6	152.4	5.9	112.7	K638 Y640 K641 G646	K638-R648 HydrophobicContact CB-CB 3.5Å; K638-R648 HydrophobicContact CD-CB 4.27Å; K638-R648 HydrophobicContact CG-CB 4.42Å; K638-R648 PolarHBondContact O-NE 3.25Å; K638-R648 PolarHBondContact O-NH2 2.93Å; Y640-R648 CarbonylContact O-C 3.58Å; Y640-R648 WeakPolarHBondContact O-CA 3.31Å; K641-R648 HydrophobicContact CB-CG 4.35Å; K641-R648 HydrophobicContact CG-CG 4.34Å; G646-R648 WeakPolarHBondContact O-CG 3.47Å; G646-R648 PolarHBondContact O-N 3.28Å
649	F	87.6	Confident	86.7	Confident	42 Å²	42	55.3 Å²	55.3	18%	0.184	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.3	-173.6	-58.4	-83.7	0	0	0	113	K638 P639 Y640 C642 A647 H654 L655 H658	K638-F649 CarbonylContact C-O 3.55Å; K638-F649 WeakPolarHBondContact CA-O 3.5Å; P639-F649 WeakPolarHBondContact CD-O 3.43Å; Y640-F649 WeakPolarHBondContact CD2-O 3.39Å; Y640-F649 PolarHBondContact N-O 3.43Å; Y640-F649 PolarHBondContact O-N 2.87Å; C642-F649 HydrophobicContact CB-CE2 4.22Å; A647-F649 HydrophobicContact CB-CE2 3.86Å; A647-F649 HydrophobicContact CB-CZ 3.9Å; A647-F649 VanDerWaalsContact O-CE2 3.29Å; A647-F649 WeakPolarHBondContact O-CE2 3.49Å; F649-H654 HydrophobicContact CB-CB 4.26Å; F649-H654 HydrophobicContact CD1-CB 3.97Å; F649-H654 HydrophobicContact CG-CB 4.37Å; F649-L655 HydrophobicContact CB-CB 4.42Å; F649-L655 HydrophobicContact CD2-CB 4.01Å; F649-L655 HydrophobicContact CD2-CD1 3.91Å; F649-L655 HydrophobicContact CE2-CD1 4.08Å; F649-L655 HydrophobicContact CG-CB 4.37Å; F649-H658 HydrophobicContact CE1-CB 4.1Å; F649-H658 HydrophobicContact CE2-CB 4.02Å; F649-H658 AromaticContact CE2-CD2 3.72Å; F649-H658 AromaticContact CE2-CG 3.73Å; F649-H658 HydrophobicContact CZ-CB 3.62Å; F649-H658 AromaticContact CZ-CD2 3.73Å; F649-H658 AromaticContact CZ-CE1 3.94Å; F649-H658 AromaticContact CZ-CG 3.31Å; F649-H658 AromaticContact CZ-ND1 3.46Å; F649-H658 WeakPolarHBondContact CZ-ND1 3.2Å
650	V	86.6	Confident	86.8	Confident	27 Å²	27	54.7 Å²	54.7	16%	0.164	29%	0.288	C	S	.	.	S	Bend	trans	-77.8	-23.3	-179.7	-178	0	0	0	0	112.9	R632 K638 Y640	R632-V650 HydrophobicContact CB-CG1 3.56Å; R632-V650 HydrophobicContact CG-CG1 4.32Å; R632-V650 PolarHBondContact NH1-O 2.92Å; R632-V650 VanDerWaalsContact NH1-O 3.13Å; K638-V650 HydrophobicContact CG-CG2 3.94Å; Y640-V650 WeakPolarHBondContact CE2-O 3.4Å
651	Q	86.3	Confident	86.7	Confident	63 Å²	63	56.3 Å²	56.3	29%	0.294	30%	0.3	S	S	.	.	S	Bend	trans	-140.5	143.2	-175.7	-61.3	-175.6	2.1	0	0	111.5	T629 Y640 A653 H654 L655	T629-Q651 HydrophobicContact CG2-CG 4.41Å; Y640-Q651 VanDerWaalsContact CD2-C 3.42Å; Q651-A653 VanDerWaalsContact C-N 3.28Å; Q651-A653 PolarHBondContact O-N 3.38Å; Q651-H654 PolarHBondContact O-N 2.82Å; Q651-H654 VanDerWaalsContact O-N 3.11Å; Q651-L655 PolarHBondContact O-N 2.78Å
652	V	85	Confident	86.4	Confident	37 Å²	37	54.4 Å²	54.4	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-55.7	-41.2	176.5	-177	0	0	0	0	111.7	L493 Y640 H654 L655 R656	L493-V652 HydrophobicContact CD2-CG2 4.13Å; Y640-V652 HydrophobicContact CD1-CG2 3.67Å; Y640-V652 HydrophobicContact CD2-CG2 4.24Å; Y640-V652 HydrophobicContact CE1-CG2 3.37Å; Y640-V652 HydrophobicContact CE2-CG2 3.98Å; Y640-V652 HydrophobicContact CG-CG2 4.09Å; V652-H654 PolarHBondContact O-N 3.34Å; V652-L655 WeakPolarHBondContact O-CA 3.4Å; V652-L655 WeakPolarHBondContact O-CB 3.39Å; V652-L655 PolarHBondContact O-N 2.76Å; V652-R656 HydrophobicContact CG1-CG 4.11Å; V652-R656 WeakPolarHBondContact O-CG 3.27Å; V652-R656 PolarHBondContact O-N 3.43Å
653	A	83.1	Confident	86.1	Confident	61 Å²	61	56.6 Å²	56.6	50%	0.504	31%	0.305	S	S	.	.	H	α-helix	trans	-58.1	-34.5	179.8	0	0	0	0	0	113.1	Q651 A657	Q651-A653 VanDerWaalsContact C-N 3.28Å; Q651-A653 PolarHBondContact O-N 3.38Å; A653-A657 VanDerWaalsContact O-CB 3.32Å; A653-A657 WeakPolarHBondContact O-CB 3.22Å; A653-A657 PolarHBondContact O-N 3.16Å
654	H	85.6	Confident	86	Confident	99 Å²	99	53.9 Å²	53.9	46%	0.458	30%	0.304	S	S	.	.	H	α-helix	trans	-74	-37.3	175.5	-60.4	159.4	0	0	0	111.9	F649 Q651 V652 A657 H658	F649-H654 HydrophobicContact CB-CB 4.26Å; F649-H654 HydrophobicContact CD1-CB 3.97Å; F649-H654 HydrophobicContact CG-CB 4.37Å; Q651-H654 PolarHBondContact O-N 2.82Å; Q651-H654 VanDerWaalsContact O-N 3.11Å; V652-H654 PolarHBondContact O-N 3.34Å; H654-A657 PolarHBondContact O-N 3.1Å; H654-H658 VanDerWaalsContact O-CB 3.27Å; H654-H658 WeakPolarHBondContact O-CB 3.48Å; H654-H658 PolarHBondContact O-N 3.45Å
655	L	88.3	Confident	85.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-47.2	171.1	174.6	60	0	0	0	111.2	A492 C642 F649 Q651 V652 A657 H658 V659	A492-L655 HydrophobicContact CB-CD2 4.13Å; C642-L655 HydrophobicContact CB-CD1 3.56Å; F649-L655 HydrophobicContact CB-CB 4.42Å; F649-L655 HydrophobicContact CD2-CB 4.01Å; F649-L655 HydrophobicContact CD2-CD1 3.91Å; F649-L655 HydrophobicContact CE2-CD1 4.08Å; F649-L655 HydrophobicContact CG-CB 4.37Å; Q651-L655 PolarHBondContact O-N 2.78Å; V652-L655 WeakPolarHBondContact O-CA 3.4Å; V652-L655 WeakPolarHBondContact O-CB 3.39Å; V652-L655 PolarHBondContact O-N 2.76Å; L655-A657 PolarHBondContact O-N 3.09Å; L655-H658 CarbonylContact O-C 3.55Å; L655-H658 WeakPolarHBondContact O-CA 3.21Å; L655-H658 WeakPolarHBondContact O-CB 3.4Å; L655-H658 PolarHBondContact O-N 3.29Å; L655-V659 HydrophobicContact CD1-CG2 3.94Å; L655-V659 HydrophobicContact CG-CG2 4.38Å; L655-V659 WeakPolarHBondContact O-CG2 3.28Å; L655-V659 PolarHBondContact O-N 2.84Å
656	R	84.7	Confident	85.9	Confident	111 Å²	111	53.7 Å²	53.7	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-57.7	-46.9	176	-63.1	-168.3	175.4	-174.1	-7.6	111.7	I489 V652 H658 V659	I489-R656 HydrophobicContact CD1-CB 4.18Å; I489-R656 HydrophobicContact CD1-CG 3.57Å; I489-R656 HydrophobicContact CG1-CG 3.98Å; I489-R656 HydrophobicContact CG2-CG 4.23Å; V652-R656 HydrophobicContact CG1-CG 4.11Å; V652-R656 WeakPolarHBondContact O-CG 3.27Å; V652-R656 PolarHBondContact O-N 3.43Å; R656-H658 PolarHBondContact O-N 2.83Å; R656-V659 PolarHBondContact O-N 2.89Å
657	A	83.9	Confident	85.8	Confident	31 Å²	31	54.9 Å²	54.9	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-28.5	176	0	0	0	0	0	113.4	A653 H654 L655	A653-A657 VanDerWaalsContact O-CB 3.32Å; A653-A657 WeakPolarHBondContact O-CB 3.22Å; A653-A657 PolarHBondContact O-N 3.16Å; H654-A657 PolarHBondContact O-N 3.1Å; L655-A657 PolarHBondContact O-N 3.09Å
658	H	87.3	Confident	85.9	Confident	32 Å²	32	57.7 Å²	57.7	15%	0.148	29%	0.294	C	S	.	.	H	α-helix	trans	-80.2	-39.5	176.1	174.3	86.1	0	0	0	113.2	C645 F649 H654 L655 R656 L660 I661 H662	C645-H658 PolarHBondContact SG-NE2 2.9Å; F649-H658 HydrophobicContact CE1-CB 4.1Å; F649-H658 HydrophobicContact CE2-CB 4.02Å; F649-H658 AromaticContact CE2-CD2 3.72Å; F649-H658 AromaticContact CE2-CG 3.73Å; F649-H658 HydrophobicContact CZ-CB 3.62Å; F649-H658 AromaticContact CZ-CD2 3.73Å; F649-H658 AromaticContact CZ-CE1 3.94Å; F649-H658 AromaticContact CZ-CG 3.31Å; F649-H658 AromaticContact CZ-ND1 3.46Å; F649-H658 WeakPolarHBondContact CZ-ND1 3.2Å; H654-H658 VanDerWaalsContact O-CB 3.27Å; H654-H658 WeakPolarHBondContact O-CB 3.48Å; H654-H658 PolarHBondContact O-N 3.45Å; L655-H658 CarbonylContact O-C 3.55Å; L655-H658 WeakPolarHBondContact O-CA 3.21Å; L655-H658 WeakPolarHBondContact O-CB 3.4Å; L655-H658 PolarHBondContact O-N 3.29Å; R656-H658 PolarHBondContact O-N 2.83Å; H658-L660 PolarHBondContact O-N 3.32Å; H658-I661 WeakPolarHBondContact O-CA 3.48Å; H658-I661 WeakPolarHBondContact O-CB 3.4Å; H658-I661 VanDerWaalsContact O-CG1 3.28Å; H658-I661 WeakPolarHBondContact O-CG1 3.37Å; H658-I661 PolarHBondContact O-N 3.26Å; H658-H662 AromaticContact CD2-NE2 3.66Å; H658-H662 AromaticContact CE1-NE2 3.89Å; H658-H662 AromaticContact NE2-CE1 3.73Å; H658-H662 AromaticContact NE2-NE2 3.03Å; H658-H662 PolarHBondContact NE2-NE2 3.35Å
659	V	86.6	Confident	85.8	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-30.9	-179.9	172.1	0	0	0	0	112	L485 I488 L655 R656 I661 H662 T663	L485-V659 HydrophobicContact CD1-CB 4.15Å; L485-V659 HydrophobicContact CD1-CG1 3.61Å; I488-V659 HydrophobicContact CB-CG1 4.4Å; I488-V659 HydrophobicContact CG2-CG1 3.71Å; I488-V659 HydrophobicContact CG2-CG2 4.41Å; L655-V659 HydrophobicContact CD1-CG2 3.94Å; L655-V659 HydrophobicContact CG-CG2 4.38Å; L655-V659 WeakPolarHBondContact O-CG2 3.28Å; L655-V659 PolarHBondContact O-N 2.84Å; R656-V659 PolarHBondContact O-N 2.89Å; V659-I661 PolarHBondContact O-N 3.39Å; V659-H662 PolarHBondContact O-N 3.16Å; V659-T663 HydrophobicContact CG1-CG2 4.14Å; V659-T663 PolarHBondContact O-N 2.83Å; V659-T663 VanDerWaalsContact O-N 3.1Å
660	L	87.7	Confident	86	Confident	17 Å²	17	51.2 Å²	51.2	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-10.1	169.4	-61.1	170.4	0	0	0	114.1	L485 H658 E665 R678	L485-L660 HydrophobicContact CD1-CD2 4.15Å; L485-L660 HydrophobicContact CD2-CD2 3.69Å; H658-L660 PolarHBondContact O-N 3.32Å; L660-E665 HydrophobicContact CD2-CB 3.56Å; L660-E665 HydrophobicContact CD2-CG 4.43Å; L660-R678 HydrophobicContact CB-CG 3.64Å; L660-R678 HydrophobicContact CD1-CG 3.85Å; L660-R678 HydrophobicContact CG-CG 4.4Å; L660-R678 VanDerWaalsContact O-CZ 3.24Å; L660-R678 PolarHBondContact O-NE 3.32Å; L660-R678 PolarHBondContact O-NH2 3.03Å
661	I	86.4	Confident	86.1	Confident	85 Å²	85	59 Å²	59	44%	0.436	31%	0.31	S	S	.	.	H	α-helix	trans	-71.9	-49.9	168	-63.1	166.1	0	0	0	109.8	H658 V659 G664	H658-I661 WeakPolarHBondContact O-CA 3.48Å; H658-I661 WeakPolarHBondContact O-CB 3.4Å; H658-I661 VanDerWaalsContact O-CG1 3.28Å; H658-I661 WeakPolarHBondContact O-CG1 3.37Å; H658-I661 PolarHBondContact O-N 3.26Å; V659-I661 PolarHBondContact O-N 3.39Å; I661-G664 PolarHBondContact O-N 3.14Å
662	H	83.6	Confident	86.2	Confident	72 Å²	72	61 Å²	61	33%	0.333	32%	0.322	S	S	.	.	H	α-helix	trans	-75.4	-39.2	-174.9	-52.4	-46.4	0	0	0	112.6	C642 T644 C645 H658 V659 G664	C642-H662 PolarHBondContact SG-NE2 3.31Å; C642-H662 VanDerWaalsContact SG-NE2 3.44Å; T644-H662 HydrophobicContact CG2-CB 4.03Å; C645-H662 PolarHBondContact SG-NE2 3.44Å; C645-H662 VanDerWaalsContact SG-NE2 3.42Å; H658-H662 AromaticContact CD2-NE2 3.66Å; H658-H662 AromaticContact CE1-NE2 3.89Å; H658-H662 AromaticContact NE2-CE1 3.73Å; H658-H662 AromaticContact NE2-NE2 3.03Å; H658-H662 PolarHBondContact NE2-NE2 3.35Å; V659-H662 PolarHBondContact O-N 3.16Å; H662-G664 PolarHBondContact O-N 3.29Å
663	T	83	Confident	86.3	Confident	46 Å²	46	61.7 Å²	61.7	28%	0.282	33%	0.327	S	S	.	.	S	Bend	trans	-75.9	-7	175	67.2	0	0	0	0	113.2	I488 V659 E665	I488-T663 HydrophobicContact CD1-CG2 4.08Å; V659-T663 HydrophobicContact CG1-CG2 4.14Å; V659-T663 PolarHBondContact O-N 2.83Å; V659-T663 VanDerWaalsContact O-N 3.1Å; T663-E665 WeakPolarHBondContact CB-OE1 3.47Å; T663-E665 PolarHBondContact O-N 2.83Å; T663-E665 WeakPolarHBondContact OG1-CB 3.48Å; T663-E665 VanDerWaalsContact OG1-CD 3.27Å; T663-E665 WeakPolarHBondContact OG1-CG 3.2Å; T663-E665 PolarHBondContact OG1-OE1 2.71Å
664	G	84	Confident	86.4	Confident	40 Å²	40	61.3 Å²	61.3	41%	0.412	33%	0.329	S	S	.	.			trans	68.3	-3	-176.3	0	0	0	0	0	114.9	I661 H662	I661-G664 PolarHBondContact O-N 3.14Å; H662-G664 PolarHBondContact O-N 3.29Å
665	E	84.4	Confident	86.5	Confident	43 Å²	43	59.5 Å²	59.5	20%	0.201	33%	0.325	C	S	.	.			trans	-59.7	137.8	-171.6	-79.4	169.6	-109.9	0	0	113.8	L660 T663	L660-E665 HydrophobicContact CD2-CB 3.56Å; L660-E665 HydrophobicContact CD2-CG 4.43Å; T663-E665 WeakPolarHBondContact CB-OE1 3.47Å; T663-E665 PolarHBondContact O-N 2.83Å; T663-E665 WeakPolarHBondContact OG1-CB 3.48Å; T663-E665 VanDerWaalsContact OG1-CD 3.27Å; T663-E665 WeakPolarHBondContact OG1-CG 3.2Å; T663-E665 PolarHBondContact OG1-OE1 2.71Å
666	K	87.1	Confident	86.5	Confident	106 Å²	106	65.4 Å²	65.4	46%	0.461	35%	0.347	S	S	.	.			trans	-134.3	81.2	178.6	-60.8	-180	-156.8	171.3	0	108.7	Y668 R676 F677	K666-Y668 PolarHBondContact O-N 3.2Å; K666-R676 HydrophobicContact CB-CB 3.55Å; K666-R676 HydrophobicContact CD-CB 4.3Å; K666-R676 VanDerWaalsContact CD-O 3.23Å; K666-R676 WeakPolarHBondContact CD-O 3.16Å; K666-R676 PolarHBondContact O-NE 3.1Å; K666-R676 PolarHBondContact O-NH2 2.84Å; K666-F677 CarbonylContact C-O 3.26Å; K666-F677 VanDerWaalsContact C-O 3.25Å; K666-F677 WeakPolarHBondContact CA-O 3.25Å
667	P	84.8	Confident	86.6	Confident	59 Å²	59	62.1 Å²	62.1	38%	0.383	34%	0.336	S	S	.	.			trans	-68.3	-16.9	-171.8	23.1	-32	0	0	0	114.4	P669 R676	P667-P669 WeakPolarHBondContact O-CD 3.41Å; P667-R676 PolarHBondContact O-NH2 3.49Å
668	Y	88.5	Confident	86.6	Confident	93 Å²	93	63.9 Å²	63.9	37%	0.365	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	93.7	-174.9	-55.2	-75.2	0	0	0	112.2	K666 F677 R678 H679 L680	K666-Y668 PolarHBondContact O-N 3.2Å; Y668-F677 PolarHBondContact N-O 3.36Å; Y668-F677 VanDerWaalsContact N-O 3.09Å; Y668-F677 PolarHBondContact O-N 2.81Å; Y668-R678 WeakPolarHBondContact CE2-O 3.42Å; Y668-H679 VanDerWaalsContact CD2-C 3.43Å; Y668-L680 HydrophobicContact CD1-CB 4.14Å; Y668-L680 HydrophobicContact CD1-CD1 4.1Å; Y668-L680 HydrophobicContact CE1-CB 3.92Å; Y668-L680 HydrophobicContact CE1-CD1 4.38Å; Y668-L680 HydrophobicContact CE2-CB 4.36Å; Y668-L680 HydrophobicContact CG-CB 4.47Å
669	P	86.9	Confident	86.5	Confident	51 Å²	51	66.1 Å²	66.1	33%	0.331	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	150.7	171.2	31.7	-35.3	0	0	0	111.6	P667 R676 L683	P667-P669 WeakPolarHBondContact O-CD 3.41Å; P669-R676 HydrophobicContact CB-CG 4.26Å; P669-L683 VanDerWaalsContact O-CD2 3.26Å; P669-L683 WeakPolarHBondContact O-CD2 3.27Å
670	C	91.4	Very high	86.4	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.007	37%	0.365	C	S	.	.			trans	-89.4	119.3	160.9	179	0	0	0	0	109.2	I672 C673 G674 T675 F677 L683 H690	C670-I672 PolarHBondContact O-N 3.17Å; C670-C673 PolarHBondContact O-N 3.15Å; C670-G674 VanDerWaalsContact O-CA 3.25Å; C670-G674 WeakPolarHBondContact O-CA 3.28Å; C670-G674 PolarHBondContact O-N 3.48Å; C670-T675 WeakPolarHBondContact CB-O 3.48Å; C670-T675 PolarHBondContact N-O 3.29Å; C670-F677 HydrophobicContact CB-CE2 4.18Å; C670-L683 HydrophobicContact CB-CD1 3.59Å; C670-H690 PolarHBondContact SG-NE2 2.75Å
671	E	90	Very high	86.3	Confident	190 Å²	190	75.1 Å²	75.1	89%	0.888	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.3	-179.8	-69.8	150.9	-157.9	0	0	112.8
672	I	87.7	Confident	86.2	Confident	106 Å²	106	74 Å²	74	54%	0.544	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-27.8	-174.4	-55.4	172.1	0	0	0	112.8	C670 L687 H690	C670-I672 PolarHBondContact O-N 3.17Å; I672-L687 HydrophobicContact CD1-CD2 4.15Å; I672-H690 HydrophobicContact CD1-CB 3.64Å; I672-H690 HydrophobicContact CG2-CB 4.09Å
673	C	88.1	Confident	86.6	Confident	51 Å²	51	71.4 Å²	71.4	35%	0.345	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	7.8	-174.3	70.2	0	0	0	0	115.6	C670 T675 H686 H690	C670-C673 PolarHBondContact O-N 3.15Å; C673-T675 PolarHBondContact O-N 3.35Å; C673-T675 PolarHBondContact SG-OG1 3.42Å; C673-H686 PolarHBondContact SG-NE2 3.15Å; C673-H690 WeakPolarHBondContact CB-CE1 3.27Å; C673-H690 PolarHBondContact SG-CE1 3.01Å; C673-H690 PolarHBondContact SG-NE2 3.28Å
674	G	84.9	Confident	86.7	Confident	53 Å²	53	74.8 Å²	74.8	55%	0.546	39%	0.387	S	S	.	.			trans	68.4	-8.7	-178.9	0	0	0	0	0	115.9	C670 R676	C670-G674 VanDerWaalsContact O-CA 3.25Å; C670-G674 WeakPolarHBondContact O-CA 3.28Å; C670-G674 PolarHBondContact O-N 3.48Å; G674-R676 WeakPolarHBondContact O-CG 3.46Å; G674-R676 PolarHBondContact O-N 2.91Å
675	T	87.4	Confident	86.9	Confident	61 Å²	61	75 Å²	75	37%	0.374	38%	0.381	S	S	.	.			trans	-65	128.6	-176	64.7	0	0	0	0	111	C670 C673 F677 H686	C670-T675 WeakPolarHBondContact CB-O 3.48Å; C670-T675 PolarHBondContact N-O 3.29Å; C673-T675 PolarHBondContact O-N 3.35Å; C673-T675 PolarHBondContact SG-OG1 3.42Å; T675-F677 WeakPolarHBondContact O-CD2 3.46Å; T675-F677 VanDerWaalsContact O-CE2 3.3Å; T675-F677 WeakPolarHBondContact O-CE2 3.29Å; T675-F677 VanDerWaalsContact OG1-CE2 3.3Å; T675-F677 WeakPolarHBondContact OG1-CE2 3.09Å; T675-H686 PolarHBondContact OG1-CE1 3.42Å; T675-H686 PolarHBondContact OG1-NE2 3.3Å
676	R	88.1	Confident	87.1	Confident	123 Å²	123	74.2 Å²	74.2	46%	0.464	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.2	-173.3	-54.7	-169.4	65.1	109.4	2.2	111.8	K666 P667 P669 G674	K666-R676 HydrophobicContact CB-CB 3.55Å; K666-R676 HydrophobicContact CD-CB 4.3Å; K666-R676 VanDerWaalsContact CD-O 3.23Å; K666-R676 WeakPolarHBondContact CD-O 3.16Å; K666-R676 PolarHBondContact O-NE 3.1Å; K666-R676 PolarHBondContact O-NH2 2.84Å; P667-R676 PolarHBondContact O-NH2 3.49Å; P669-R676 HydrophobicContact CB-CG 4.26Å; G674-R676 WeakPolarHBondContact O-CG 3.46Å; G674-R676 PolarHBondContact O-N 2.91Å
677	F	85.9	Confident	87.1	Confident	42 Å²	42	71.9 Å²	71.9	18%	0.184	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.2	-177.3	-63.9	-84.6	0	0	0	112.3	K666 Y668 C670 T675 L683 H686	K666-F677 CarbonylContact C-O 3.26Å; K666-F677 VanDerWaalsContact C-O 3.25Å; K666-F677 WeakPolarHBondContact CA-O 3.25Å; Y668-F677 PolarHBondContact N-O 3.36Å; Y668-F677 VanDerWaalsContact N-O 3.09Å; Y668-F677 PolarHBondContact O-N 2.81Å; C670-F677 HydrophobicContact CB-CE2 4.18Å; T675-F677 WeakPolarHBondContact O-CD2 3.46Å; T675-F677 VanDerWaalsContact O-CE2 3.3Å; T675-F677 WeakPolarHBondContact O-CE2 3.29Å; T675-F677 VanDerWaalsContact OG1-CE2 3.3Å; T675-F677 WeakPolarHBondContact OG1-CE2 3.09Å; F677-L683 HydrophobicContact CB-CB 4.21Å; F677-L683 HydrophobicContact CD2-CB 3.99Å; F677-L683 HydrophobicContact CD2-CD1 3.85Å; F677-L683 HydrophobicContact CE2-CD1 4.12Å; F677-L683 HydrophobicContact CG-CB 4.21Å; F677-H686 HydrophobicContact CE1-CB 3.95Å; F677-H686 HydrophobicContact CE2-CB 3.92Å; F677-H686 AromaticContact CE2-CD2 3.54Å; F677-H686 AromaticContact CE2-CG 3.61Å; F677-H686 HydrophobicContact CZ-CB 3.49Å; F677-H686 VanDerWaalsContact CZ-CB 3.49Å; F677-H686 AromaticContact CZ-CD2 3.66Å; F677-H686 AromaticContact CZ-CG 3.24Å; F677-H686 AromaticContact CZ-ND1 3.52Å
678	R	85.3	Confident	87.3	Confident	69 Å²	69	70.9 Å²	70.9	26%	0.26	36%	0.359	S	S	.	.	S	Bend	trans	-76.9	-27.1	176.5	-168.9	175.9	-74.8	129.4	1.7	113	L660 Y668	L660-R678 HydrophobicContact CB-CG 3.64Å; L660-R678 HydrophobicContact CD1-CG 3.85Å; L660-R678 HydrophobicContact CG-CG 4.4Å; L660-R678 VanDerWaalsContact O-CZ 3.24Å; L660-R678 PolarHBondContact O-NE 3.32Å; L660-R678 PolarHBondContact O-NH2 3.03Å; Y668-R678 WeakPolarHBondContact CE2-O 3.42Å
679	H	84.6	Confident	87.2	Confident	79 Å²	79	70.5 Å²	70.5	37%	0.366	36%	0.362	S	S	.	.	S	Bend	trans	-134.2	140.9	-176.3	-54	-28.1	0	0	0	111.9	Y668 Q681 T682 L683	Y668-H679 VanDerWaalsContact CD2-C 3.43Å; H679-Q681 PolarHBondContact O-N 3.4Å; H679-T682 PolarHBondContact N-OG1 3.49Å; H679-T682 PolarHBondContact O-N 2.94Å; H679-T682 PolarHBondContact O-OG1 3.37Å; H679-L683 PolarHBondContact O-N 2.86Å; H679-L683 VanDerWaalsContact O-N 3.13Å
680	L	85.3	Confident	87.2	Confident	74 Å²	74	72 Å²	72	39%	0.387	37%	0.365	S	S	.	.	H	α-helix	trans	-56.9	-35.5	177.6	-177.5	60.9	0	0	0	112.7	Y668 T682 L683 K684	Y668-L680 HydrophobicContact CD1-CB 4.14Å; Y668-L680 HydrophobicContact CD1-CD1 4.1Å; Y668-L680 HydrophobicContact CE1-CB 3.92Å; Y668-L680 HydrophobicContact CE1-CD1 4.38Å; Y668-L680 HydrophobicContact CE2-CB 4.36Å; Y668-L680 HydrophobicContact CG-CB 4.47Å; L680-T682 VanDerWaalsContact C-N 3.33Å; L680-T682 PolarHBondContact O-N 3.2Å; L680-L683 HydrophobicContact CD1-CD2 4.37Å; L680-L683 PolarHBondContact O-N 3.1Å; L680-K684 WeakPolarHBondContact O-CG 3.44Å; L680-K684 PolarHBondContact O-N 2.81Å
681	Q	84	Confident	86.9	Confident	134 Å²	134	75.8 Å²	75.8	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-69.2	-30.1	178	-56.7	-59.9	-11.2	0	0	112.8	H679 S685	H679-Q681 PolarHBondContact O-N 3.4Å; Q681-S685 WeakPolarHBondContact O-CB 3.47Å; Q681-S685 PolarHBondContact O-N 3.02Å; Q681-S685 PolarHBondContact O-OG 3.31Å
682	T	86.3	Confident	86.7	Confident	61 Å²	61	68.6 Å²	68.6	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-73.3	-37	172.3	47.9	0	0	0	0	111.6	H679 L680 S685 H686	H679-T682 PolarHBondContact N-OG1 3.49Å; H679-T682 PolarHBondContact O-N 2.94Å; H679-T682 PolarHBondContact O-OG1 3.37Å; L680-T682 VanDerWaalsContact C-N 3.33Å; L680-T682 PolarHBondContact O-N 3.2Å; T682-S685 PolarHBondContact O-N 3.41Å; T682-H686 WeakPolarHBondContact O-CB 3.45Å; T682-H686 PolarHBondContact O-N 2.77Å
683	L	90.3	Very high	86.7	Confident	18 Å²	18	67 Å²	67	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-51.1	170	172.2	59.6	0	0	0	111.4	P669 C670 F677 H679 L680 S685 H686 L687	P669-L683 VanDerWaalsContact O-CD2 3.26Å; P669-L683 WeakPolarHBondContact O-CD2 3.27Å; C670-L683 HydrophobicContact CB-CD1 3.59Å; F677-L683 HydrophobicContact CB-CB 4.21Å; F677-L683 HydrophobicContact CD2-CB 3.99Å; F677-L683 HydrophobicContact CD2-CD1 3.85Å; F677-L683 HydrophobicContact CE2-CD1 4.12Å; F677-L683 HydrophobicContact CG-CB 4.21Å; H679-L683 PolarHBondContact O-N 2.86Å; H679-L683 VanDerWaalsContact O-N 3.13Å; L680-L683 HydrophobicContact CD1-CD2 4.37Å; L680-L683 PolarHBondContact O-N 3.1Å; L683-S685 PolarHBondContact O-N 2.88Å; L683-H686 CarbonylContact O-C 3.58Å; L683-H686 WeakPolarHBondContact O-CA 3.4Å; L683-H686 WeakPolarHBondContact O-CB 3.5Å; L683-H686 PolarHBondContact O-N 3.48Å; L683-L687 HydrophobicContact CD1-CD1 4.44Å; L683-L687 HydrophobicContact CD1-CD2 4.24Å; L683-L687 HydrophobicContact CD1-CG 4.06Å; L683-L687 HydrophobicContact CG-CD1 4.35Å; L683-L687 HydrophobicContact CG-CG 4.42Å; L683-L687 WeakPolarHBondContact O-CG 3.27Å; L683-L687 PolarHBondContact O-N 2.77Å
684	K	86.6	Confident	86.7	Confident	117 Å²	117	70.2 Å²	70.2	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-58.6	-34.1	177.2	-71.9	-168.3	176.6	-164.4	0	112.9	L680	L680-K684 WeakPolarHBondContact O-CG 3.44Å; L680-K684 PolarHBondContact O-N 2.81Å
685	S	86.7	Confident	86.8	Confident	43 Å²	43	68.2 Å²	68.2	30%	0.301	34%	0.34	S	S	.	.	H	α-helix	trans	-71.7	-31.4	173.2	-60	0	0	0	0	113.1	Q681 T682 L683	Q681-S685 WeakPolarHBondContact O-CB 3.47Å; Q681-S685 PolarHBondContact O-N 3.02Å; Q681-S685 PolarHBondContact O-OG 3.31Å; T682-S685 PolarHBondContact O-N 3.41Å; L683-S685 PolarHBondContact O-N 2.88Å
686	H	88.3	Confident	86.7	Confident	27 Å²	27	67.1 Å²	67.1	13%	0.125	33%	0.33	C	S	.	.	H	α-helix	trans	-76.4	-35	175.9	168.5	82	0	0	0	112.9	C673 T675 F677 T682 L683 R688 I689 H690	C673-H686 PolarHBondContact SG-NE2 3.15Å; T675-H686 PolarHBondContact OG1-CE1 3.42Å; T675-H686 PolarHBondContact OG1-NE2 3.3Å; F677-H686 HydrophobicContact CE1-CB 3.95Å; F677-H686 HydrophobicContact CE2-CB 3.92Å; F677-H686 AromaticContact CE2-CD2 3.54Å; F677-H686 AromaticContact CE2-CG 3.61Å; F677-H686 HydrophobicContact CZ-CB 3.49Å; F677-H686 VanDerWaalsContact CZ-CB 3.49Å; F677-H686 AromaticContact CZ-CD2 3.66Å; F677-H686 AromaticContact CZ-CG 3.24Å; F677-H686 AromaticContact CZ-ND1 3.52Å; T682-H686 WeakPolarHBondContact O-CB 3.45Å; T682-H686 PolarHBondContact O-N 2.77Å; L683-H686 CarbonylContact O-C 3.58Å; L683-H686 WeakPolarHBondContact O-CA 3.4Å; L683-H686 WeakPolarHBondContact O-CB 3.5Å; L683-H686 PolarHBondContact O-N 3.48Å; H686-R688 PolarHBondContact O-N 2.95Å; H686-R688 VanDerWaalsContact O-N 3.14Å; H686-I689 WeakPolarHBondContact O-CB 3.48Å; H686-I689 VanDerWaalsContact O-CG1 3.28Å; H686-I689 WeakPolarHBondContact O-CG1 3.49Å; H686-I689 PolarHBondContact O-N 3.42Å; H686-H690 AromaticContact CD2-NE2 3.1Å; H686-H690 PolarHBondContact CD2-NE2 2.96Å; H686-H690 AromaticContact CE1-NE2 3.08Å; H686-H690 PolarHBondContact CE1-NE2 3.18Å; H686-H690 AromaticContact NE2-CD2 3.84Å; H686-H690 AromaticContact NE2-NE2 2.19Å; H686-H690 PolarHBondContact NE2-NE2 3Å
687	L	88.5	Confident	86.7	Confident	57 Å²	57	62.7 Å²	62.7	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-57.3	-31.2	178.6	-71.7	172.1	0	0	0	112.6	I672 L683 I689 H690 T691	I672-L687 HydrophobicContact CD1-CD2 4.15Å; L683-L687 HydrophobicContact CD1-CD1 4.44Å; L683-L687 HydrophobicContact CD1-CD2 4.24Å; L683-L687 HydrophobicContact CD1-CG 4.06Å; L683-L687 HydrophobicContact CG-CD1 4.35Å; L683-L687 HydrophobicContact CG-CG 4.42Å; L683-L687 WeakPolarHBondContact O-CG 3.27Å; L683-L687 PolarHBondContact O-N 2.77Å; L687-I689 PolarHBondContact O-N 2.78Å; L687-H690 PolarHBondContact O-N 2.83Å; L687-T691 PolarHBondContact O-N 3.3Å; L687-T691 VanDerWaalsContact O-N 3.09Å; L687-T691 PolarHBondContact O-OG1 3.19Å
688	R	88.5	Confident	86.8	Confident	39 Å²	39	60.8 Å²	60.8	15%	0.147	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-16.6	171.3	-61.8	-175.6	174.7	164.4	3.4	115	H686 T691 G692 E693 Y696 R706	H686-R688 PolarHBondContact O-N 2.95Å; H686-R688 VanDerWaalsContact O-N 3.14Å; R688-T691 WeakPolarHBondContact CA-OG1 3.39Å; R688-G692 CarbonylContact O-C 3.48Å; R688-G692 PolarHBondContact O-N 3.47Å; R688-E693 HydrophobicContact CB-CB 4.02Å; R688-E693 HydrophobicContact CG-CB 4Å; R688-E693 IonicContact NE-OE2 2.76Å; R688-E693 PolarHBondContact O-N 3.26Å; R688-Y696 PolarHBondContact NH1-OH 3.1Å; R688-R706 HydrophobicContact CB-CG 3.73Å; R688-R706 PolarHBondContact NH1-O 3.4Å; R688-R706 PolarHBondContact O-NE 3.17Å; R688-R706 PolarHBondContact O-NH2 2.81Å
689	I	87	Confident	86.7	Confident	85 Å²	85	61.2 Å²	61.2	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-69.9	-41	172.4	-58.2	-177.4	0	0	0	110	H686 L687	H686-I689 WeakPolarHBondContact O-CB 3.48Å; H686-I689 VanDerWaalsContact O-CG1 3.28Å; H686-I689 WeakPolarHBondContact O-CG1 3.49Å; H686-I689 PolarHBondContact O-N 3.42Å; L687-I689 PolarHBondContact O-N 2.78Å
690	H	86.2	Confident	86.6	Confident	82 Å²	82	62.8 Å²	62.8	38%	0.38	32%	0.317	S	S	.	.	H	α-helix	trans	-80.9	-44	-179.7	-55.1	-59.6	0	0	0	112.5	C670 I672 C673 H686 L687 G692	C670-H690 PolarHBondContact SG-NE2 2.75Å; I672-H690 HydrophobicContact CD1-CB 3.64Å; I672-H690 HydrophobicContact CG2-CB 4.09Å; C673-H690 WeakPolarHBondContact CB-CE1 3.27Å; C673-H690 PolarHBondContact SG-CE1 3.01Å; C673-H690 PolarHBondContact SG-NE2 3.28Å; H686-H690 AromaticContact CD2-NE2 3.1Å; H686-H690 PolarHBondContact CD2-NE2 2.96Å; H686-H690 AromaticContact CE1-NE2 3.08Å; H686-H690 PolarHBondContact CE1-NE2 3.18Å; H686-H690 AromaticContact NE2-CD2 3.84Å; H686-H690 AromaticContact NE2-NE2 2.19Å; H686-H690 PolarHBondContact NE2-NE2 3Å; L687-H690 PolarHBondContact O-N 2.83Å; H690-G692 PolarHBondContact O-N 2.91Å; H690-G692 VanDerWaalsContact O-N 3.16Å
691	T	86.1	Confident	86.7	Confident	81 Å²	81	61.6 Å²	61.6	50%	0.497	31%	0.314	S	S	.	.	S	Bend	trans	-73.9	0.5	176.9	61.9	0	0	0	0	113.6	L687 R688 E693	L687-T691 PolarHBondContact O-N 3.3Å; L687-T691 VanDerWaalsContact O-N 3.09Å; L687-T691 PolarHBondContact O-OG1 3.19Å; R688-T691 WeakPolarHBondContact CA-OG1 3.39Å; T691-E693 WeakPolarHBondContact CB-OE1 3.47Å; T691-E693 PolarHBondContact O-N 3.4Å; T691-E693 WeakPolarHBondContact OG1-CG 3.33Å; T691-E693 PolarHBondContact OG1-OE1 2.88Å
692	G	85.6	Confident	86.7	Confident	38 Å²	38	60.5 Å²	60.5	39%	0.392	31%	0.312	S	S	.	.			trans	71.9	-23.8	-177.4	0	0	0	0	0	115.3	R688 H690 R706	R688-G692 CarbonylContact O-C 3.48Å; R688-G692 PolarHBondContact O-N 3.47Å; H690-G692 PolarHBondContact O-N 2.91Å; H690-G692 VanDerWaalsContact O-N 3.16Å; G692-R706 PolarHBondContact O-NH2 3.19Å; G692-R706 VanDerWaalsContact O-NH2 3.16Å
693	E	87.7	Confident	86.7	Confident	74 Å²	74	62.1 Å²	62.1	35%	0.346	32%	0.318	S	S	.	.			trans	-32.9	128.4	-173.1	-83.2	173.9	-106.6	0	0	116.3	R688 T691 R706	R688-E693 HydrophobicContact CB-CB 4.02Å; R688-E693 HydrophobicContact CG-CB 4Å; R688-E693 IonicContact NE-OE2 2.76Å; R688-E693 PolarHBondContact O-N 3.26Å; T691-E693 WeakPolarHBondContact CB-OE1 3.47Å; T691-E693 PolarHBondContact O-N 3.4Å; T691-E693 WeakPolarHBondContact OG1-CG 3.33Å; T691-E693 PolarHBondContact OG1-OE1 2.88Å; E693-R706 PolarHBondContact O-NE 3.13Å
694	K	86.9	Confident	86.7	Confident	117 Å²	117	65.8 Å²	65.8	51%	0.509	34%	0.335	S	S	.	.			trans	-132.4	66.2	173	-62.6	174	-173.2	173	0	111.1	Y696 H704 F705	K694-Y696 VanDerWaalsContact C-N 3.25Å; K694-Y696 PolarHBondContact O-N 3.33Å; K694-H704 HydrophobicContact CB-CB 3.76Å; K694-H704 HydrophobicContact CD-CB 4.19Å; K694-H704 PolarHBondContact O-CD2 2.94Å; K694-F705 CarbonylContact C-O 3.55Å; K694-F705 WeakPolarHBondContact CA-O 3.48Å
695	P	86.6	Confident	86.7	Confident	11 Å²	11	61.9 Å²	61.9	7%	0.071	32%	0.317	C	S	.	.			trans	-78.9	1.2	-163.8	33.6	-38	0	0	0	115.1	Y729 R730	P695-Y729 HydrophobicContact CB-CD2 3.94Å; P695-Y729 HydrophobicContact CB-CE2 3.58Å; P695-Y729 HydrophobicContact CG-CD2 4.39Å; P695-Y729 HydrophobicContact CG-CE2 3.83Å; P695-R730 PolarHBondContact O-N 3.14Å
696	Y	86.9	Confident	86.6	Confident	39 Å²	39	62.5 Å²	62.5	15%	0.153	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.4	174.1	-47.5	-72.2	0	0	0	109.3	R688 K694 F705 R706 K708 I727 Y729	R688-Y696 PolarHBondContact NH1-OH 3.1Å; K694-Y696 VanDerWaalsContact C-N 3.25Å; K694-Y696 PolarHBondContact O-N 3.33Å; Y696-F705 PolarHBondContact N-O 3.48Å; Y696-F705 PolarHBondContact O-N 3.04Å; Y696-R706 WeakPolarHBondContact CE2-O 3.21Å; Y696-K708 HydrophobicContact CD1-CB 4.46Å; Y696-K708 HydrophobicContact CD2-CB 4.44Å; Y696-K708 HydrophobicContact CE1-CB 4.33Å; Y696-K708 HydrophobicContact CE2-CB 4.3Å; Y696-I727 HydrophobicContact CD1-CG2 4.27Å; Y696-Y729 HydrophobicContact CD1-CD2 4.19Å; Y696-Y729 AromaticContact CE1-CD2 3.7Å; Y696-Y729 HydrophobicContact CE1-CD2 3.7Å; Y696-Y729 HydrophobicContact CE1-CE2 4.26Å
697	H	87.3	Confident	86.5	Confident	30 Å²	30	63.9 Å²	63.9	14%	0.139	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	159.8	176.7	65.1	-80.8	0	0	0	111.6	L703 L711	H697-L703 CarbonylContact C-O 3.56Å; H697-L703 VanDerWaalsContact CA-O 3.28Å; H697-L703 WeakPolarHBondContact CA-O 3.5Å; H697-L711 WeakPolarHBondContact O-CD2 3.48Å
698	C	87.8	Confident	86.5	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.007	33%	0.329	C	S	.	.			trans	-91.5	117.2	170.8	-177	0	0	0	0	110.3	K700 C701 N702 L703 F705 L711 H714 L715 H719	C698-K700 PolarHBondContact O-N 2.98Å; C698-K700 VanDerWaalsContact O-N 3.14Å; C698-C701 PolarHBondContact O-N 2.76Å; C698-N702 VanDerWaalsContact O-CA 3.26Å; C698-N702 WeakPolarHBondContact O-CA 3.42Å; C698-N702 PolarHBondContact O-N 3.46Å; C698-L703 PolarHBondContact N-O 2.89Å; C698-F705 HydrophobicContact CB-CE2 4.26Å; C698-L711 HydrophobicContact CB-CD1 3.7Å; C698-H714 WeakPolarHBondContact CB-NE2 3.35Å; C698-H714 PolarHBondContact SG-NE2 3.19Å; C698-L715 VanDerWaalsContact SG-CD2 3.55Å; C698-H719 PolarHBondContact SG-CD2 2.86Å
699	E	84.1	Confident	86.4	Confident	78 Å²	78	67.8 Å²	67.8	36%	0.364	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.2	178.5	-61.8	172.2	136.3	0	0	113	T725 Q728	E699-T725 WeakPolarHBondContact OE2-CB 3.18Å; E699-Q728 WeakPolarHBondContact OE1-CG 3.22Å; E699-Q728 PolarHBondContact OE1-NE2 2.97Å
700	K	82.6	Confident	86.4	Confident	113 Å²	113	67.7 Å²	67.7	49%	0.491	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-16	-178	-69.8	-179.2	172.8	-174.7	0	115.2	C698 H719	C698-K700 PolarHBondContact O-N 2.98Å; C698-K700 VanDerWaalsContact O-N 3.14Å; K700-H719 HydrophobicContact CD-CB 3.65Å; K700-H719 PolarHBondContact NZ-O 3.35Å
701	C	87.9	Confident	86.6	Confident	49 Å²	49	63.8 Å²	63.8	33%	0.331	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	5.2	-177.7	67.5	0	0	0	0	114.9	C698 L703 H714 H719	C698-C701 PolarHBondContact O-N 2.76Å; C701-L703 PolarHBondContact O-N 3.26Å; C701-H714 PolarHBondContact SG-CE1 2.94Å; C701-H714 PolarHBondContact SG-NE2 2.98Å; C701-H719 PolarHBondContact SG-NE2 3.18Å; C701-H719 VanDerWaalsContact SG-NE2 3.37Å
702	N	82.9	Confident	86.6	Confident	110 Å²	110	66.6 Å²	66.6	59%	0.588	33%	0.325	S	S	*	.			trans	53.9	15.4	-179.3	-64.2	-46.3	0	0	0	116.2	C698 H704	C698-N702 VanDerWaalsContact O-CA 3.26Å; C698-N702 WeakPolarHBondContact O-CA 3.42Å; C698-N702 PolarHBondContact O-N 3.46Å; N702-H704 PolarHBondContact O-CE1 2.82Å; N702-H704 PolarHBondContact O-N 2.96Å; N702-H704 PolarHBondContact O-ND1 3.44Å
703	L	86.8	Confident	86.7	Confident	95 Å²	95	69.2 Å²	69.2	50%	0.497	33%	0.329	S	S	.	.			trans	-66.9	133.3	170	-71.3	177.3	0	0	0	110.9	H697 C698 C701 F705	H697-L703 CarbonylContact C-O 3.56Å; H697-L703 VanDerWaalsContact CA-O 3.28Å; H697-L703 WeakPolarHBondContact CA-O 3.5Å; C698-L703 PolarHBondContact N-O 2.89Å; C701-L703 PolarHBondContact O-N 3.26Å; L703-F705 HydrophobicContact CB-CE2 3.76Å; L703-F705 HydrophobicContact CB-CZ 3.78Å; L703-F705 WeakPolarHBondContact O-CD2 3.41Å; L703-F705 WeakPolarHBondContact O-CE2 3.5Å
704	H	89.3	Confident	86.7	Confident	96 Å²	96	66.5 Å²	66.5	44%	0.444	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.7	-176	-74.5	65.4	0	0	0	111.7	K694 N702	K694-H704 HydrophobicContact CB-CB 3.76Å; K694-H704 HydrophobicContact CD-CB 4.19Å; K694-H704 PolarHBondContact O-CD2 2.94Å; N702-H704 PolarHBondContact O-CE1 2.82Å; N702-H704 PolarHBondContact O-N 2.96Å; N702-H704 PolarHBondContact O-ND1 3.44Å
705	F	86.4	Confident	86.7	Confident	34 Å²	34	61.5 Å²	61.5	15%	0.149	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145	-172.5	-58.3	-83.7	0	0	0	112.1	K694 Y696 C698 L703 Q710 L711 H714	K694-F705 CarbonylContact C-O 3.55Å; K694-F705 WeakPolarHBondContact CA-O 3.48Å; Y696-F705 PolarHBondContact N-O 3.48Å; Y696-F705 PolarHBondContact O-N 3.04Å; C698-F705 HydrophobicContact CB-CE2 4.26Å; L703-F705 HydrophobicContact CB-CE2 3.76Å; L703-F705 HydrophobicContact CB-CZ 3.78Å; L703-F705 WeakPolarHBondContact O-CD2 3.41Å; L703-F705 WeakPolarHBondContact O-CE2 3.5Å; F705-Q710 HydrophobicContact CB-CB 4.11Å; F705-Q710 HydrophobicContact CD1-CB 3.82Å; F705-Q710 HydrophobicContact CG-CB 4.27Å; F705-L711 HydrophobicContact CB-CB 4.29Å; F705-L711 HydrophobicContact CD2-CB 3.93Å; F705-L711 HydrophobicContact CD2-CD1 3.78Å; F705-L711 HydrophobicContact CD2-CG 4.43Å; F705-L711 HydrophobicContact CE2-CD1 3.87Å; F705-L711 HydrophobicContact CG-CB 4.22Å; F705-H714 HydrophobicContact CE1-CB 3.93Å; F705-H714 HydrophobicContact CE2-CB 4.21Å; F705-H714 AromaticContact CE2-CD2 3.64Å; F705-H714 AromaticContact CE2-CG 3.87Å; F705-H714 HydrophobicContact CZ-CB 3.56Å; F705-H714 AromaticContact CZ-CD2 3.58Å; F705-H714 AromaticContact CZ-CG 3.32Å; F705-H714 AromaticContact CZ-ND1 3.8Å
706	R	85.6	Confident	86.6	Confident	57 Å²	57	69 Å²	69	22%	0.215	32%	0.322	C	S	.	.	S	Bend	trans	-79.3	-28.4	-178.8	-175.9	170.2	-70.7	155.4	-9.9	113.1	R688 G692 E693 Y696	R688-R706 HydrophobicContact CB-CG 3.73Å; R688-R706 PolarHBondContact NH1-O 3.4Å; R688-R706 PolarHBondContact O-NE 3.17Å; R688-R706 PolarHBondContact O-NH2 2.81Å; G692-R706 PolarHBondContact O-NH2 3.19Å; G692-R706 VanDerWaalsContact O-NH2 3.16Å; E693-R706 PolarHBondContact O-NE 3.13Å; Y696-R706 WeakPolarHBondContact CE2-O 3.21Å
707	H	86.7	Confident	86.6	Confident	56 Å²	56	73.5 Å²	73.5	26%	0.259	35%	0.345	S	S	.	.	S	Bend	trans	-128.2	140.9	-179	-54.3	-102	0	0	0	112.4	S709 Q710 L711	H707-S709 WeakPolarHBondContact CB-OG 3.34Å; H707-S709 PolarHBondContact O-N 3.04Å; H707-S709 VanDerWaalsContact O-N 3.12Å; H707-Q710 HydrophobicContact CB-CG 4.23Å; H707-Q710 PolarHBondContact CD2-OE1 3.37Å; H707-Q710 WeakPolarHBondContact O-CB 3.5Å; H707-Q710 PolarHBondContact O-N 3.23Å; H707-L711 PolarHBondContact O-N 2.64Å
708	K	86.7	Confident	86.3	Confident	111 Å²	111	79.5 Å²	79.5	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-21.2	175	-170.1	174	-176.4	176.8	0	113.4	Y696 R712 I727	Y696-K708 HydrophobicContact CD1-CB 4.46Å; Y696-K708 HydrophobicContact CD2-CB 4.44Å; Y696-K708 HydrophobicContact CE1-CB 4.33Å; Y696-K708 HydrophobicContact CE2-CB 4.3Å; K708-R712 WeakPolarHBondContact O-CG 3.47Å; K708-R712 PolarHBondContact O-N 2.85Å; K708-I727 HydrophobicContact CD-CD1 4.5Å; K708-I727 VanDerWaalsContact CE-CD1 3.48Å; K708-I727 HydrophobicContact CG-CD1 4.29Å
709	S	87.1	Confident	86.1	Confident	67 Å²	67	81.7 Å²	81.7	47%	0.469	38%	0.38	S	S	.	.	H	α-helix	trans	-67.6	-44.3	170.4	45	0	0	0	0	112.5	H707 R712 L713	H707-S709 WeakPolarHBondContact CB-OG 3.34Å; H707-S709 PolarHBondContact O-N 3.04Å; H707-S709 VanDerWaalsContact O-N 3.12Å; S709-R712 PolarHBondContact O-N 3.37Å; S709-L713 WeakPolarHBondContact O-CB 3.48Å; S709-L713 PolarHBondContact O-N 3.27Å
710	Q	88.1	Confident	85.5	Confident	82 Å²	82	81.6 Å²	81.6	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-45.9	178.5	-64.9	166.4	-28.8	0	0	110.8	F705 H707 R712 L713 H714	F705-Q710 HydrophobicContact CB-CB 4.11Å; F705-Q710 HydrophobicContact CD1-CB 3.82Å; F705-Q710 HydrophobicContact CG-CB 4.27Å; H707-Q710 HydrophobicContact CB-CG 4.23Å; H707-Q710 PolarHBondContact CD2-OE1 3.37Å; H707-Q710 WeakPolarHBondContact O-CB 3.5Å; H707-Q710 PolarHBondContact O-N 3.23Å; Q710-R712 PolarHBondContact O-N 3.2Å; Q710-L713 PolarHBondContact O-N 2.96Å; Q710-H714 WeakPolarHBondContact O-CB 3.49Å; Q710-H714 PolarHBondContact O-N 2.56Å
711	L	89.4	Confident	84.3	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-59.1	-45.2	174.8	174.9	60.1	0	0	0	112.1	H697 C698 F705 H707 L713 H714 L715 I727	H697-L711 WeakPolarHBondContact O-CD2 3.48Å; C698-L711 HydrophobicContact CB-CD1 3.7Å; F705-L711 HydrophobicContact CB-CB 4.29Å; F705-L711 HydrophobicContact CD2-CB 3.93Å; F705-L711 HydrophobicContact CD2-CD1 3.78Å; F705-L711 HydrophobicContact CD2-CG 4.43Å; F705-L711 HydrophobicContact CE2-CD1 3.87Å; F705-L711 HydrophobicContact CG-CB 4.22Å; H707-L711 PolarHBondContact O-N 2.64Å; L711-L713 PolarHBondContact O-N 3.43Å; L711-H714 PolarHBondContact O-N 3.05Å; L711-L715 HydrophobicContact CD1-CD1 3.97Å; L711-L715 HydrophobicContact CD1-CG 4Å; L711-L715 HydrophobicContact CG-CD1 3.92Å; L711-L715 HydrophobicContact CG-CG 4.42Å; L711-L715 WeakPolarHBondContact O-CB 3.18Å; L711-L715 VanDerWaalsContact O-CG 3.31Å; L711-L715 WeakPolarHBondContact O-CG 3.31Å; L711-L715 PolarHBondContact O-N 2.61Å; L711-I727 HydrophobicContact CD2-CG1 4.22Å; L711-I727 HydrophobicContact CD2-CG2 3.69Å
712	R	86.7	Confident	82.8	Confident	139 Å²	139	80.9 Å²	80.9	53%	0.525	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-38.5	177	-76.6	-171.3	-59.3	155.5	3.3	113.1	K708 S709 Q710 R716 I727	K708-R712 WeakPolarHBondContact O-CG 3.47Å; K708-R712 PolarHBondContact O-N 2.85Å; S709-R712 PolarHBondContact O-N 3.37Å; Q710-R712 PolarHBondContact O-N 3.2Å; R712-R716 WeakPolarHBondContact O-CB 3.27Å; R712-R716 PolarHBondContact O-N 3.39Å; R712-R716 VanDerWaalsContact O-N 3.09Å; R712-I727 HydrophobicContact CG-CD1 4.4Å
713	L	87.7	Confident	81.3	Confident	93 Å²	93	79.6 Å²	79.6	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-47.3	176.1	-179.1	62.4	0	0	0	110.7	S709 Q710 L711 R716 Q717	S709-L713 WeakPolarHBondContact O-CB 3.48Å; S709-L713 PolarHBondContact O-N 3.27Å; Q710-L713 PolarHBondContact O-N 2.96Å; L711-L713 PolarHBondContact O-N 3.43Å; L713-R716 PolarHBondContact O-N 3.24Å; L713-Q717 HydrophobicContact CD1-CG 4.15Å; L713-Q717 HydrophobicContact CG-CG 4.46Å; L713-Q717 WeakPolarHBondContact O-CB 3.1Å; L713-Q717 WeakPolarHBondContact O-CG 3.3Å; L713-Q717 PolarHBondContact O-N 3.02Å
714	H	87.5	Confident	79.3	Confident	18 Å²	18	83.1 Å²	83.1	8%	0.083	42%	0.421	C	S	.	.	H	α-helix	trans	-59.4	-46.6	175.1	161.1	76.1	0	0	0	112.5	C698 C701 F705 Q710 L711 R716 Q717 K718 H719	C698-H714 WeakPolarHBondContact CB-NE2 3.35Å; C698-H714 PolarHBondContact SG-NE2 3.19Å; C701-H714 PolarHBondContact SG-CE1 2.94Å; C701-H714 PolarHBondContact SG-NE2 2.98Å; F705-H714 HydrophobicContact CE1-CB 3.93Å; F705-H714 HydrophobicContact CE2-CB 4.21Å; F705-H714 AromaticContact CE2-CD2 3.64Å; F705-H714 AromaticContact CE2-CG 3.87Å; F705-H714 HydrophobicContact CZ-CB 3.56Å; F705-H714 AromaticContact CZ-CD2 3.58Å; F705-H714 AromaticContact CZ-CG 3.32Å; F705-H714 AromaticContact CZ-ND1 3.8Å; Q710-H714 WeakPolarHBondContact O-CB 3.49Å; Q710-H714 PolarHBondContact O-N 2.56Å; L711-H714 PolarHBondContact O-N 3.05Å; H714-R716 VanDerWaalsContact C-N 3.3Å; H714-R716 PolarHBondContact O-N 2.74Å; H714-Q717 PolarHBondContact O-N 2.59Å; H714-K718 WeakPolarHBondContact O-CB 3.33Å; H714-K718 PolarHBondContact O-N 3.16Å; H714-H719 AromaticContact CE1-CD2 3.9Å; H714-H719 AromaticContact CE1-NE2 3.61Å; H714-H719 AromaticContact NE2-CD2 3.4Å; H714-H719 PolarHBondContact NE2-CD2 3.13Å; H714-H719 AromaticContact NE2-NE2 3.3Å; H714-H719 PolarHBondContact NE2-NE2 2.74Å
715	L	86.6	Confident	77.4	Confident	12 Å²	12	80.6 Å²	80.6	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-57.7	-42.8	176	-77	167.1	0	0	0	111.6	C698 L711 H719 G720	C698-L715 VanDerWaalsContact SG-CD2 3.55Å; L711-L715 HydrophobicContact CD1-CD1 3.97Å; L711-L715 HydrophobicContact CD1-CG 4Å; L711-L715 HydrophobicContact CG-CD1 3.92Å; L711-L715 HydrophobicContact CG-CG 4.42Å; L711-L715 WeakPolarHBondContact O-CB 3.18Å; L711-L715 VanDerWaalsContact O-CG 3.31Å; L711-L715 WeakPolarHBondContact O-CG 3.31Å; L711-L715 PolarHBondContact O-N 2.61Å; L715-H719 HydrophobicContact CD2-CB 4.49Å; L715-H719 CarbonylContact O-C 3.51Å; L715-H719 WeakPolarHBondContact O-CA 3.37Å; L715-H719 WeakPolarHBondContact O-CB 3.27Å; L715-H719 PolarHBondContact O-N 2.98Å; L715-H719 VanDerWaalsContact O-N 3.09Å; L715-G720 PolarHBondContact O-N 3.08Å
716	R	85.3	Confident	75.6	Confident	168 Å²	168	87.5 Å²	87.5	63%	0.634	44%	0.442	S	S	*	.	H	α-helix	trans	-64.1	-45.6	174.7	-176.2	-177.4	-73.7	-165.8	-6.7	112.2	R712 L713 H714 I722	R712-R716 WeakPolarHBondContact O-CB 3.27Å; R712-R716 PolarHBondContact O-N 3.39Å; R712-R716 VanDerWaalsContact O-N 3.09Å; L713-R716 PolarHBondContact O-N 3.24Å; H714-R716 VanDerWaalsContact C-N 3.3Å; H714-R716 PolarHBondContact O-N 2.74Å; R716-I722 HydrophobicContact CB-CD1 4.46Å
717	Q	86.1	Confident	74.3	Confident	134 Å²	134	87.2 Å²	87.2	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-80.5	-28.9	-172.7	-73.9	178	-32.5	0	0	115	L713 H714	L713-Q717 HydrophobicContact CD1-CG 4.15Å; L713-Q717 HydrophobicContact CG-CG 4.46Å; L713-Q717 WeakPolarHBondContact O-CB 3.1Å; L713-Q717 WeakPolarHBondContact O-CG 3.3Å; L713-Q717 PolarHBondContact O-N 3.02Å; H714-Q717 PolarHBondContact O-N 2.59Å
718	K	82	Confident	72.7	Confident	156 Å²	156	89.3 Å²	89.3	68%	0.678	46%	0.455	S	S	*	.	H	α-helix	trans	-117.5	-12.5	-173.1	-65.8	-60.5	-171.9	-178.6	0	114.4	H714	H714-K718 WeakPolarHBondContact O-CB 3.33Å; H714-K718 PolarHBondContact O-N 3.16Å
719	H	83.8	Confident	70.7	Confident	46 Å²	46	89.6 Å²	89.6	21%	0.213	45%	0.453	C	S	.	.	H	α-helix	trans	-131.8	14.5	-173.9	-63.7	-55	0	0	0	115.2	C698 K700 C701 H714 L715 A721	C698-H719 PolarHBondContact SG-CD2 2.86Å; K700-H719 HydrophobicContact CD-CB 3.65Å; K700-H719 PolarHBondContact NZ-O 3.35Å; C701-H719 PolarHBondContact SG-NE2 3.18Å; C701-H719 VanDerWaalsContact SG-NE2 3.37Å; H714-H719 AromaticContact CE1-CD2 3.9Å; H714-H719 AromaticContact CE1-NE2 3.61Å; H714-H719 AromaticContact NE2-CD2 3.4Å; H714-H719 PolarHBondContact NE2-CD2 3.13Å; H714-H719 AromaticContact NE2-NE2 3.3Å; H714-H719 PolarHBondContact NE2-NE2 2.74Å; L715-H719 HydrophobicContact CD2-CB 4.49Å; L715-H719 CarbonylContact O-C 3.51Å; L715-H719 WeakPolarHBondContact O-CA 3.37Å; L715-H719 WeakPolarHBondContact O-CB 3.27Å; L715-H719 PolarHBondContact O-N 2.98Å; L715-H719 VanDerWaalsContact O-N 3.09Å; H719-A721 PolarHBondContact O-N 3.04Å
720	G	70.5	Confident	68.6	Low	76 Å²	76	95.1 Å²	95.1	78%	0.784	46%	0.464	S	S	*	.	S	Bend	trans	72.9	-31.6	157.8	0	0	0	0	0	117.5	L715	L715-G720 PolarHBondContact O-N 3.08Å
721	A	56.6	Low	66.2	Low	55 Å²	55	96.2 Å²	96.2	46%	0.455	47%	0.471	S	S	.	.			trans	-145	135.6	-178.7	0	0	0	0	0	111.2	H719 T723	H719-A721 PolarHBondContact O-N 3.04Å; A721-T723 VanDerWaalsContact C-N 3.34Å; A721-T723 PolarHBondContact O-N 3.13Å
722	I	57.7	Low	63.6	Low	92 Å²	92	100.1 Å²	100.1	47%	0.472	50%	0.498	S	S	.	.			trans	-89.9	78.2	163	-51.9	176.3	0	0	0	107.1	R716	R716-I722 HydrophobicContact CB-CD1 4.46Å
723	T	50.3	Low	61.4	Low	84 Å²	84	100.2 Å²	100.2	52%	0.515	51%	0.514	S	S	.	.			trans	-62.9	157.9	149.3	51.3	0	0	0	0	108.1	A721 T725	A721-T723 VanDerWaalsContact C-N 3.34Å; A721-T723 PolarHBondContact O-N 3.13Å; T723-T725 PolarHBondContact O-N 3.15Å
724	N	45.2	Very low	59.1	Low	168 Å²	168	98.9 Å²	98.9	90%	0.898	52%	0.517	S	S	*	.			trans	-75.4	54.8	178.8	-77.7	-57.7	0	0	0	111.9	K726	N724-K726 PolarHBondContact O-N 3.34Å
725	T	49.3	Very low	56.7	Low	44 Å²	44	107.2 Å²	107.2	27%	0.27	56%	0.556	S	S	.	*			trans	-54.7	129.9	169.7	48.6	0	0	0	0	109.3	E699 T723 I727	E699-T725 WeakPolarHBondContact OE2-CB 3.18Å; T723-T725 PolarHBondContact O-N 3.15Å; T725-I727 VanDerWaalsContact C-N 3.29Å; T725-I727 PolarHBondContact O-N 2.92Å
726	K	50	Low	54.3	Low	178 Å²	178	112 Å²	112	77%	0.774	58%	0.579	S	S	*	*			trans	-74.2	77.3	-166.9	-176.9	-175.9	178.2	-177.9	0	109.8	N724 Q728	N724-K726 PolarHBondContact O-N 3.34Å; K726-Q728 WeakPolarHBondContact O-CG 3.42Å; K726-Q728 PolarHBondContact O-N 2.92Å
727	I	57.2	Low	51.9	Low	51 Å²	51	109 Å²	109	26%	0.262	58%	0.582	S	S	.	*			trans	-44.3	99.9	-172.6	-67.3	169.2	0	0	0	111	Y696 K708 L711 R712 T725	Y696-I727 HydrophobicContact CD1-CG2 4.27Å; K708-I727 HydrophobicContact CD-CD1 4.5Å; K708-I727 VanDerWaalsContact CE-CD1 3.48Å; K708-I727 HydrophobicContact CG-CD1 4.29Å; L711-I727 HydrophobicContact CD2-CG1 4.22Å; L711-I727 HydrophobicContact CD2-CG2 3.69Å; R712-I727 HydrophobicContact CG-CD1 4.4Å; T725-I727 VanDerWaalsContact C-N 3.29Å; T725-I727 PolarHBondContact O-N 2.92Å
728	Q	54.1	Low	49.7	Very low	101 Å²	101	109.1 Å²	109.1	47%	0.472	59%	0.591	S	S	.	*			trans	-78.9	128.8	-172.6	-58.8	-163.7	41.4	0	0	109.3	E699 K726	E699-Q728 WeakPolarHBondContact OE1-CG 3.22Å; E699-Q728 PolarHBondContact OE1-NE2 2.97Å; K726-Q728 WeakPolarHBondContact O-CG 3.42Å; K726-Q728 PolarHBondContact O-N 2.92Å
729	Y	44.4	Very low	47.6	Very low	116 Å²	116	108.6 Å²	108.6	46%	0.455	60%	0.596	S	S	.	*	B	Isolated β-bridge	trans	-99.7	106.7	176.4	178.5	-110.1	0	0	0	108.1	P695 Y696 M731	P695-Y729 HydrophobicContact CB-CD2 3.94Å; P695-Y729 HydrophobicContact CB-CE2 3.58Å; P695-Y729 HydrophobicContact CG-CD2 4.39Å; P695-Y729 HydrophobicContact CG-CE2 3.83Å; Y696-Y729 HydrophobicContact CD1-CD2 4.19Å; Y696-Y729 AromaticContact CE1-CD2 3.7Å; Y696-Y729 HydrophobicContact CE1-CD2 3.7Å; Y696-Y729 HydrophobicContact CE1-CE2 4.26Å; Y729-M731 HydrophobicContact CD1-CG 4.29Å; Y729-M731 HydrophobicContact CE1-CG 3.52Å; Y729-M731 HydrophobicContact CE1-SD 3.8Å
730	R	43	Very low	45.4	Very low	183 Å²	183	114 Å²	114	69%	0.691	63%	0.626	S	S	*	*			trans	-94.1	108.2	176.8	-172.6	172.1	-177	156.1	0.2	108.7	P695	P695-R730 PolarHBondContact O-N 3.14Å
731	M	37.6	Very low	43.5	Very low	106 Å²	106	116.1 Å²	116.1	52%	0.522	62%	0.624	S	S	.	*			trans	-76.9	128.2	157.3	-82.2	169.7	60.4	0	0	108.4	Y729	Y729-M731 HydrophobicContact CD1-CG 4.29Å; Y729-M731 HydrophobicContact CE1-CG 3.52Å; Y729-M731 HydrophobicContact CE1-SD 3.8Å
732	S	34.2	Very low	42.4	Very low	82 Å²	82	123.7 Å²	123.7	57%	0.573	65%	0.646	S	S	*	*			trans	-69	124.1	153.7	41	0	0	0	0	107.8	A734	S732-A734 PolarHBondContact O-N 3.06Å
733	T	39.7	Very low	41.4	Very low	141 Å²	141	123.8 Å²	123.8	87%	0.865	66%	0.661	S	S	*	*	S	Bend	trans	-87.7	12.5	175.6	47.1	0	0	0	0	112.9
734	A	39.7	Very low	40.4	Very low	66 Å²	66	128.7 Å²	128.7	55%	0.545	70%	0.697	S	S	.	*	S	Bend	trans	-104.2	146.6	162.5	0	0	0	0	0	108.9	S732	S732-A734 PolarHBondContact O-N 3.06Å
735	E	37.8	Very low	40.2	Very low	193 Å²	193	126.8 Å²	126.8	90%	0.902	69%	0.686	S	S	*	*	S	Bend	trans	63.6	39.2	174.7	-60.8	177.4	-153.9	0	0	116.2
736	M	36.2	Very low	39.7	Very low	111 Å²	111	131.1 Å²	131.1	55%	0.547	71%	0.708	S	S	.	*			trans	-90.4	118.8	151.2	-81.7	-69	-54.5	0	0	109.2	T738	M736-T738 PolarHBondContact O-N 3.32Å
737	P	35.5	Very low	39.1	Very low	107 Å²	107	128.5 Å²	128.5	70%	0.695	71%	0.705	S	S	*	*			trans	-56.4	130.1	161.1	-22.6	34.1	0	0	0	109.3	D739	P737-D739 PolarHBondContact O-N 3.17Å
738	T	38.5	Very low	38.1	Very low	135 Å²	135	133.1 Å²	133.1	83%	0.828	73%	0.731	S	S	*	*	S	Bend	trans	-76.7	-2.6	-165.9	28	0	0	0	0	115.3	M736	M736-T738 PolarHBondContact O-N 3.32Å
739	D	37.3	Very low	37.1	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	75%	0.747	S	S	*	*	S	Bend	trans	-111.7	99.5	175.6	-86.4	-51.2	0	0	0	112.1	P737	P737-D739 PolarHBondContact O-N 3.17Å
740	L	38.2	Very low	36.6	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	77%	0.766	S	S	*	*	S	Bend	trans	-178.2	0.5	150.3	-106	164.3	0	0	0	114.5
741	T	31.8	Very low	36.1	Very low	120 Å²	120	133 Å²	133	74%	0.736	77%	0.772	S	S	*	*			trans	-101.5	10	-174.4	46.4	0	0	0	0	115.4
742	K	33.4	Very low	36	Very low	213 Å²	213	135.1 Å²	135.1	93%	0.926	79%	0.791	S	S	*	*	S	Bend	trans	-104	48.2	172.7	-72.9	-174.8	176.8	175.2	0	113.3
743	A	36.3	Very low	36.1	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	81%	0.809	S	S	*	*			trans	-152.1	92.5	171.6	0	0	0	0	0	112.1
744	C	29.3	Very low	35.8	Very low	188 Å²	188	139.4 Å²	139.4	100%	1.27	80%	0.804	S	S	*	*			trans	-153	0	166.8	-156.4	0	0	0	0	108.5

Retrieved 744 of 744 residues in 498.2 ms (Link to these results)

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