A0A096NLB8_PAPAN Loading...

Zinc finger and SCAN domain containing 32

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NLB8, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 697 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29.6	Very low	31.1	Very low	231 Å²	231	145.5 Å²	145.5	100%	1.138	85%	0.847	S	S	*	*				0	145.1	0	-83.7	-179.5	163.2	0	0	107.8
2	M	30.3	Very low	31.8	Very low	190 Å²	190	142.3 Å²	142.3	94%	0.936	83%	0.834	S	S	*	*			trans	62.4	164	173.4	-64.6	-176.1	-175.8	0	0	114.6
3	A	29.2	Very low	31.4	Very low	93 Å²	93	139.9 Å²	139.9	77%	0.769	83%	0.83	S	S	*	*			cis	-173.2	158	-30.1	0	0	0	0	0	106.9
4	A	31.7	Very low	31	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	82%	0.819	S	S	*	*			cis	-157.6	150.7	-23.4	0	0	0	0	0	107.4
5	A	29.8	Very low	30.7	Very low	101 Å²	101	136.6 Å²	136.6	84%	0.835	81%	0.812	S	S	*	*			trans	-85	141	174.2	0	0	0	0	0	111.4
6	K	33.9	Very low	30.4	Very low	213 Å²	213	138.6 Å²	138.6	93%	0.926	81%	0.807	S	S	*	*			trans	-150.1	117.5	163	-112.7	-176.4	178.9	-175.3	0	111.6
7	S	31.6	Very low	30.1	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	81%	0.806	S	S	*	*			trans	-72.7	-178.2	163.8	-45.3	0	0	0	0	110
8	P	46	Very low	30.8	Very low	104 Å²	104	137.3 Å²	137.3	68%	0.675	80%	0.799	S	S	*	*			cis	-148.2	174.2	16.2	44.6	-24.2	0	0	0	120
9	E	27.6	Very low	30.6	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	80%	0.798	S	S	*	*			trans	67.3	156.3	138.7	-79.5	168.7	-178.8	0	0	125.6
10	A	26.4	Very low	30.4	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	80%	0.803	S	S	*	*			trans	88.1	101.2	158.6	0	0	0	0	0	122.3
11	H	25.9	Very low	30.2	Very low	187 Å²	187	136.6 Å²	136.6	87%	0.866	80%	0.803	S	S	*	*				19.4	163.1	122.2	-60.3	-63.1	0	0	0	122.7
12	P	39.9	Very low	30.2	Very low	107 Å²	107	133.7 Å²	133.7	70%	0.695	79%	0.787	S	S	*	*			cis	-144.2	-172.6	-34.6	41.5	-23	0	0	0	115.3
13	S	26.3	Very low	30.1	Very low	111 Å²	111	132 Å²	132	78%	0.776	78%	0.777	S	S	*	*			trans	69.8	113.7	146.2	-64.8	0	0	0	0	124.2
14	S	26.5	Very low	29.9	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	77%	0.774	S	S	*	*				57.4	106	122.7	-163.6	0	0	0	0	122.5
15	N	25.6	Very low	29.7	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	77%	0.772	S	S	*	*				177.3	141.3	106.2	-98.2	-75	0	0	0	114.5
16	K	26.7	Very low	29.7	Very low	168 Å²	168	134 Å²	134	73%	0.73	77%	0.767	S	S	*	*			trans	17.8	128.2	144.5	-56.1	175.6	-176.5	-179.9	0	122.2
17	D	25.1	Very low	29.5	Very low	150 Å²	150	132.5 Å²	132.5	80%	0.802	76%	0.763	S	S	*	*				48.6	160.6	123.6	-55	-49.7	0	0	0	121.5
18	P	43.1	Very low	29.4	Very low	105 Å²	105	130.9 Å²	130.9	68%	0.682	76%	0.764	S	S	*	*			cis	-139.4	-161.5	12.7	34.9	-10.4	0	0	0	115.9
19	T	25.5	Very low	28.8	Very low	127 Å²	127	134.1 Å²	134.1	78%	0.779	78%	0.776	S	S	*	*			trans	80.6	148.9	168.1	73.8	0	0	0	0	116.4
20	Q	27.6	Very low	29.2	Very low	192 Å²	192	129.6 Å²	129.6	90%	0.897	77%	0.765	S	S	*	*			cis	-152.6	150.2	10.9	-153.3	172.5	2.3	0	0	110.6
21	G	26.5	Very low	29.7	Very low	78 Å²	78	130.7 Å²	130.7	80%	0.804	76%	0.764	S	S	*	*			trans	157.1	117.5	171.1	0	0	0	0	0	116.1
22	Q	28.3	Very low	30.3	Very low	169 Å²	169	126.4 Å²	126.4	79%	0.79	75%	0.748	S	S	*	*			trans	-84.1	149.8	-169	-74.8	161.5	-107.5	0	0	116.4
23	Q	28	Very low	30.4	Very low	155 Å²	155	124.4 Å²	124.4	72%	0.724	74%	0.736	S	S	*	*			trans	50.3	107.2	133.4	-65	165	-45.9	0	0	118.7
24	S	26	Very low	30.9	Very low	101 Å²	101	123.3 Å²	123.3	71%	0.706	72%	0.719	S	S	*	*				84.9	115.5	63.1	73.6	0	0	0	0	116.4
25	A	26.7	Very low	31.3	Very low	91 Å²	91	120.5 Å²	120.5	75%	0.752	70%	0.702	S	S	*	*			trans	61.1	144.1	140.9	0	0	0	0	0	120.5
26	L	29.7	Very low	31.8	Very low	139 Å²	139	117 Å²	117	73%	0.728	69%	0.688	S	S	*	*			cis	-162.5	150.8	-6.6	-109.9	166.9	0	0	0	108.7
27	Q	31.2	Very low	32.2	Very low	183 Å²	183	116 Å²	116	86%	0.855	68%	0.679	S	S	*	*			trans	50.7	115.9	152.2	-72.2	163.4	-21.2	0	0	121
28	G	28.6	Very low	32.6	Very low	78 Å²	78	114.4 Å²	114.4	80%	0.804	67%	0.667	S	S	*	*			trans	-164	124	157.7	0	0	0	0	0	111.6
29	N	34.2	Very low	32.1	Very low	172 Å²	172	117.8 Å²	117.8	92%	0.92	67%	0.666	S	S	*	*			trans	-95.1	131	177.9	-67.4	-64.2	0	0	0	110.6
30	S	34.8	Very low	32.3	Very low	91 Å²	91	119.5 Å²	119.5	64%	0.636	66%	0.663	S	S	*	*			trans	-86.3	140.2	172.1	-176.4	0	0	0	0	112	D32	S30-D32 PolarHBondContact O-N 3.15Å
31	P	37.3	Very low	32.7	Very low	110 Å²	110	120.1 Å²	120.1	71%	0.714	66%	0.658	S	S	*	*	S	Bend	trans	-70.8	-23.2	-176.7	-19.1	32.9	0	0	0	115.5	S33 E34	P31-S33 VanDerWaalsContact C-N 3.31Å; P31-S33 PolarHBondContact O-N 3.47Å; P31-E34 PolarHBondContact O-N 3.34Å; P31-E34 VanDerWaalsContact O-N 3.13Å
32	D	39.2	Very low	32.9	Very low	98 Å²	98	124.2 Å²	124.2	52%	0.524	66%	0.656	S	S	.	*	H	α-helix	trans	-70.3	-25.1	-157.6	-156.7	22.6	0	0	0	114.5	S30 E34 A35 S36	S30-D32 PolarHBondContact O-N 3.15Å; D32-E34 VanDerWaalsContact C-N 3.28Å; D32-E34 PolarHBondContact O-N 3.4Å; D32-A35 PolarHBondContact O-N 3.18Å; D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 3.4Å; D32-S36 PolarHBondContact O-OG 3.47Å
33	S	42	Very low	32.9	Very low	64 Å²	64	124.4 Å²	124.4	45%	0.448	65%	0.654	S	S	.	*	H	α-helix	trans	-62.4	-32	174.2	63.8	0	0	0	0	113.3	P31 R37	P31-S33 VanDerWaalsContact C-N 3.31Å; P31-S33 PolarHBondContact O-N 3.47Å; S33-R37 WeakPolarHBondContact O-CD 3.3Å; S33-R37 VanDerWaalsContact O-CG 3.22Å; S33-R37 WeakPolarHBondContact O-CG 3.34Å; S33-R37 PolarHBondContact O-N 2.93Å
34	E	37.4	Very low	33	Very low	88 Å²	88	122.2 Å²	122.2	41%	0.411	66%	0.655	S	S	.	*	H	α-helix	trans	-83.9	-33.7	-179.3	-160.3	63.7	-164.7	0	0	111.6	P31 D32 S36 R37 Q38	P31-E34 PolarHBondContact O-N 3.34Å; P31-E34 VanDerWaalsContact O-N 3.13Å; D32-E34 VanDerWaalsContact C-N 3.28Å; D32-E34 PolarHBondContact O-N 3.4Å; E34-S36 VanDerWaalsContact C-N 3.33Å; E34-R37 PolarHBondContact O-N 3.13Å; E34-R37 WeakPolarHBondContact OE2-CD 3.34Å; E34-R37 IonicContact OE2-NH1 3.29Å; E34-R37 PolarHBondContact OE2-NH1 3.36Å; E34-Q38 WeakPolarHBondContact O-CG 3.47Å; E34-Q38 PolarHBondContact O-N 2.75Å
35	A	35	Very low	33.1	Very low	39 Å²	39	126.8 Å²	126.8	32%	0.322	66%	0.658	S	S	.	*	H	α-helix	trans	-61.4	-43	170.4	0	0	0	0	0	111.2	D32 Q38 R39	D32-A35 PolarHBondContact O-N 3.18Å; A35-Q38 PolarHBondContact O-N 2.79Å; A35-R39 PolarHBondContact O-N 2.76Å
36	S	34.4	Very low	33.2	Very low	60 Å²	60	130.1 Å²	130.1	42%	0.42	66%	0.658	S	S	.	*	H	α-helix	trans	-62.8	-43	175.8	-59.3	0	0	0	0	112.2	D32 E34 Q38 R39 F40	D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 3.4Å; D32-S36 PolarHBondContact O-OG 3.47Å; E34-S36 VanDerWaalsContact C-N 3.33Å; S36-Q38 VanDerWaalsContact C-N 3.32Å; S36-Q38 PolarHBondContact O-N 3.05Å; S36-R39 PolarHBondContact O-N 3Å; S36-F40 PolarHBondContact O-N 3.31Å; S36-F40 VanDerWaalsContact O-N 3.13Å
37	R	36.6	Very low	33.7	Very low	145 Å²	145	131.7 Å²	131.7	55%	0.547	66%	0.662	S	S	.	*	H	α-helix	trans	-64.9	-30.2	173.7	-73.4	164.9	179.2	167.4	0.9	113.8	S33 E34 R41	S33-R37 WeakPolarHBondContact O-CD 3.3Å; S33-R37 VanDerWaalsContact O-CG 3.22Å; S33-R37 WeakPolarHBondContact O-CG 3.34Å; S33-R37 PolarHBondContact O-N 2.93Å; E34-R37 PolarHBondContact O-N 3.13Å; E34-R37 WeakPolarHBondContact OE2-CD 3.34Å; E34-R37 IonicContact OE2-NH1 3.29Å; E34-R37 PolarHBondContact OE2-NH1 3.36Å; R37-R41 WeakPolarHBondContact O-CG 3.14Å
38	Q	33.3	Very low	34.1	Very low	117 Å²	117	128.7 Å²	128.7	55%	0.547	66%	0.655	S	S	.	*	H	α-helix	trans	-75.2	-41.2	174.7	-73.5	-178	10.6	0	0	112.1	E34 A35 S36 F40 R41 Q42	E34-Q38 WeakPolarHBondContact O-CG 3.47Å; E34-Q38 PolarHBondContact O-N 2.75Å; A35-Q38 PolarHBondContact O-N 2.79Å; S36-Q38 VanDerWaalsContact C-N 3.32Å; S36-Q38 PolarHBondContact O-N 3.05Å; Q38-F40 VanDerWaalsContact C-N 3.33Å; Q38-F40 PolarHBondContact O-N 3.18Å; Q38-R41 PolarHBondContact O-N 3.43Å; Q38-Q42 PolarHBondContact O-N 2.78Å
39	R	32.1	Very low	34.7	Very low	176 Å²	176	130.3 Å²	130.3	66%	0.664	65%	0.65	S	S	*	*	H	α-helix	trans	-55.6	-46.2	172.3	-74.2	174.4	174.1	151.5	-1.5	111.7	A35 S36 R41 Q42	A35-R39 PolarHBondContact O-N 2.76Å; S36-R39 PolarHBondContact O-N 3Å; R39-R41 PolarHBondContact O-N 3.33Å; R39-Q42 PolarHBondContact O-N 3.37Å
40	F	30.4	Very low	35	Very low	164 Å²	164	123.8 Å²	123.8	72%	0.719	62%	0.623	S	S	*	*	H	α-helix	trans	-59.3	-27.9	177.4	-164.1	-90.9	0	0	0	113.5	S36 Q38	S36-F40 PolarHBondContact O-N 3.31Å; S36-F40 VanDerWaalsContact O-N 3.13Å; Q38-F40 VanDerWaalsContact C-N 3.33Å; Q38-F40 PolarHBondContact O-N 3.18Å
41	R	36.1	Very low	35.3	Very low	205 Å²	205	124.1 Å²	124.1	77%	0.774	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-5	178.5	-71.7	176.7	177.4	178.9	2.1	114.6	R37 Q38 R39	R37-R41 WeakPolarHBondContact O-CG 3.14Å; Q38-R41 PolarHBondContact O-N 3.43Å; R39-R41 PolarHBondContact O-N 3.33Å
42	Q	30.4	Very low	35.1	Very low	164 Å²	164	126.1 Å²	126.1	77%	0.766	62%	0.623	S	S	*	*	S	Bend	trans	-110.3	-0.3	179	-70.3	-176.5	-27.9	0	0	113.5	Q38 R39 C44	Q38-Q42 PolarHBondContact O-N 2.78Å; R39-Q42 PolarHBondContact O-N 3.37Å; Q42-C44 PolarHBondContact O-N 2.94Å
43	F	27.3	Very low	35.2	Very low	173 Å²	173	127 Å²	127	76%	0.759	62%	0.624	S	S	*	*			trans	-82.6	111.2	-173.1	-149.8	-89.2	0	0	0	112.5
44	C	30.6	Very low	35.3	Very low	109 Å²	109	126.8 Å²	126.8	74%	0.736	63%	0.625	S	S	*	*			trans	-84.5	130.5	170.1	-74.4	0	0	0	0	110.6	Q42 Q46	Q42-C44 PolarHBondContact O-N 2.94Å; C44-Q46 PolarHBondContact O-N 3.18Å
45	Y	28	Very low	35.4	Very low	196 Å²	196	127.8 Å²	127.8	77%	0.769	63%	0.629	S	S	*	*			trans	-60.4	115.8	-179.8	-172.5	-95.8	0	0	0	111.9	E47	Y45-E47 HydrophobicContact CD1-CB 4.28Å; Y45-E47 HydrophobicContact CE1-CB 3.88Å; Y45-E47 HydrophobicContact CE1-CG 4.16Å
46	Q	27.9	Very low	35.7	Very low	162 Å²	162	128.7 Å²	128.7	76%	0.757	63%	0.633	S	S	*	*			trans	-98	113.7	169.3	-70.4	-167.5	-4.6	0	0	109.8	C44 V48	C44-Q46 PolarHBondContact O-N 3.18Å; Q46-V48 VanDerWaalsContact C-N 3.34Å; Q46-V48 PolarHBondContact O-N 2.87Å
47	E	40.4	Very low	36.1	Very low	171 Å²	171	132.8 Å²	132.8	80%	0.799	64%	0.643	S	S	*	*			trans	-79.6	76.3	-177.3	-169.3	174.9	-120.9	0	0	111.1	Y45	Y45-E47 HydrophobicContact CD1-CB 4.28Å; Y45-E47 HydrophobicContact CE1-CB 3.88Å; Y45-E47 HydrophobicContact CE1-CG 4.16Å
48	V	39.3	Very low	36.2	Very low	120 Å²	120	129.5 Å²	129.5	73%	0.727	64%	0.636	S	S	*	*			trans	-129.3	75.9	179.6	-167.2	0	0	0	0	112	Q46	Q46-V48 VanDerWaalsContact C-N 3.34Å; Q46-V48 PolarHBondContact O-N 2.87Å
49	T	41.3	Very low	36.7	Very low	113 Å²	113	130.9 Å²	130.9	69%	0.693	64%	0.636	S	S	*	*	S	Bend	trans	-153.3	132.3	146.8	6.3	0	0	0	0	107.9
50	G	41.5	Very low	37.2	Very low	34 Å²	34	128.3 Å²	128.3	35%	0.351	63%	0.632	S	S	.	*			trans	-69.3	139.7	-178.4	0	0	0	0	0	110.5	H52 E53 A54	G50-H52 PolarHBondContact O-N 3.41Å; G50-E53 WeakPolarHBondContact O-CB 3.42Å; G50-E53 PolarHBondContact O-N 3.13Å; G50-A54 PolarHBondContact O-N 2.89Å
51	P	39.9	Very low	37.7	Very low	99 Å²	99	123.2 Å²	123.2	64%	0.643	61%	0.612	S	S	*	*	H	α-helix	trans	-58.1	-29.5	179.7	21.8	-33	0	0	0	112.5	E53 F55	P51-E53 VanDerWaalsContact C-N 3.28Å; P51-E53 PolarHBondContact O-N 3.14Å; P51-F55 HydrophobicContact CB-CE2 4.49Å; P51-F55 WeakPolarHBondContact O-CD2 3.34Å; P51-F55 WeakPolarHBondContact O-CG 3.49Å; P51-F55 PolarHBondContact O-N 3.24Å
52	H	34.7	Very low	38	Very low	152 Å²	152	115 Å²	115	70%	0.704	59%	0.585	S	S	*	*	H	α-helix	trans	-63	-31.5	174.8	-163.9	-50.7	0	0	0	113.2	G50 S56	G50-H52 PolarHBondContact O-N 3.41Å; H52-S56 PolarHBondContact O-N 3.38Å; H52-S56 PolarHBondContact O-OG 2.84Å; H52-S56 VanDerWaalsContact O-OG 3.13Å
53	E	40.8	Very low	38.5	Very low	117 Å²	117	111 Å²	111	55%	0.547	57%	0.574	S	S	.	*	H	α-helix	trans	-81	-38.8	-177.1	-167.4	164.7	-147	0	0	111.2	G50 P51 S56 K57	G50-E53 WeakPolarHBondContact O-CB 3.42Å; G50-E53 PolarHBondContact O-N 3.13Å; P51-E53 VanDerWaalsContact C-N 3.28Å; P51-E53 PolarHBondContact O-N 3.14Å; E53-S56 PolarHBondContact O-N 3.22Å; E53-K57 PolarHBondContact O-N 3.15Å; E53-K57 VanDerWaalsContact O-N 3.1Å
54	A	42.9	Very low	39.4	Very low	58 Å²	58	108.8 Å²	108.8	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-59.2	-45.6	166.6	0	0	0	0	0	111.6	G50 S56 K57 L58	G50-A54 PolarHBondContact O-N 2.89Å; A54-S56 PolarHBondContact O-N 3.43Å; A54-K57 PolarHBondContact O-N 2.97Å; A54-L58 WeakPolarHBondContact O-CB 3.39Å; A54-L58 PolarHBondContact O-N 3.49Å
55	F	39.5	Very low	39.9	Very low	109 Å²	109	111 Å²	111	48%	0.478	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-36	175.4	-77.3	-56.2	0	0	0	113.3	P51 L58 W59	P51-F55 HydrophobicContact CB-CE2 4.49Å; P51-F55 WeakPolarHBondContact O-CD2 3.34Å; P51-F55 WeakPolarHBondContact O-CG 3.49Å; P51-F55 PolarHBondContact O-N 3.24Å; F55-L58 PolarHBondContact O-N 3.32Å; F55-W59 VanDerWaalsContact O-CB 3.29Å; F55-W59 WeakPolarHBondContact O-CB 3.5Å; F55-W59 PolarHBondContact O-N 3.22Å
56	S	41.8	Very low	40.4	Very low	59 Å²	59	106.1 Å²	106.1	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-62.2	-49.1	174.3	-70.5	0	0	0	0	111.9	H52 E53 A54 L58 W59 E60	H52-S56 PolarHBondContact O-N 3.38Å; H52-S56 PolarHBondContact O-OG 2.84Å; H52-S56 VanDerWaalsContact O-OG 3.13Å; E53-S56 PolarHBondContact O-N 3.22Å; A54-S56 PolarHBondContact O-N 3.43Å; S56-L58 PolarHBondContact O-N 2.96Å; S56-W59 PolarHBondContact O-N 3.42Å; S56-E60 WeakPolarHBondContact O-CB 3.49Å; S56-E60 PolarHBondContact O-N 3.03Å
57	K	42.6	Very low	41.4	Very low	146 Å²	146	105.5 Å²	105.5	64%	0.635	54%	0.541	S	S	*	.	H	α-helix	trans	-59.6	-45.2	176.3	-77.5	-175	173.2	-177.8	0	112	E53 A54 W59 E60 L61	E53-K57 PolarHBondContact O-N 3.15Å; E53-K57 VanDerWaalsContact O-N 3.1Å; A54-K57 PolarHBondContact O-N 2.97Å; K57-W59 PolarHBondContact O-N 3.35Å; K57-E60 PolarHBondContact O-N 3.42Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 3.34Å
58	L	39.8	Very low	41.5	Very low	75 Å²	75	101.2 Å²	101.2	39%	0.393	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-37.9	-178.1	-157.3	155.4	0	0	0	111.7	A54 F55 S56 C62	A54-L58 WeakPolarHBondContact O-CB 3.39Å; A54-L58 PolarHBondContact O-N 3.49Å; F55-L58 PolarHBondContact O-N 3.32Å; S56-L58 PolarHBondContact O-N 2.96Å; L58-C62 PolarHBondContact O-N 3.43Å; L58-C62 VanDerWaalsContact O-N 3.09Å; L58-C62 PolarHBondContact O-SG 2.93Å
59	W	42.4	Very low	41.6	Very low	147 Å²	147	105 Å²	105	56%	0.557	53%	0.534	S	S	*	.	H	α-helix	trans	-63	-45.1	171.3	174.6	-93.5	0	0	0	112.4	F55 S56 K57 L61 C62 C63 E418	F55-W59 VanDerWaalsContact O-CB 3.29Å; F55-W59 WeakPolarHBondContact O-CB 3.5Å; F55-W59 PolarHBondContact O-N 3.22Å; S56-W59 PolarHBondContact O-N 3.42Å; K57-W59 PolarHBondContact O-N 3.35Å; W59-L61 PolarHBondContact O-N 3.13Å; W59-C62 PolarHBondContact O-N 3.12Å; W59-C63 PolarHBondContact O-N 3.17Å; W59-C63 PolarHBondContact O-SG 2.92Å; W59-E418 WeakPolarHBondContact CH2-OE1 3.31Å; W59-E418 HydrophobicContact CZ3-CG 4.39Å; W59-E418 WeakPolarHBondContact CZ3-OE1 3.31Å
60	E	42.9	Very low	41.8	Very low	122 Å²	122	104.2 Å²	104.2	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-67	-36.1	-177.4	-165.4	156.1	-130.1	0	0	112.1	S56 K57 C63 Q64	S56-E60 WeakPolarHBondContact O-CB 3.49Å; S56-E60 PolarHBondContact O-N 3.03Å; K57-E60 PolarHBondContact O-N 3.42Å; E60-C63 PolarHBondContact O-N 3.08Å; E60-Q64 WeakPolarHBondContact O-CG 3.46Å; E60-Q64 PolarHBondContact O-N 3.07Å
61	L	42.3	Very low	42.1	Very low	56 Å²	56	107 Å²	107	29%	0.293	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-48.2	170.1	-70.9	163.5	0	0	0	112	K57 W59 C63 Q64 W65	K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 3.34Å; W59-L61 PolarHBondContact O-N 3.13Å; L61-C63 PolarHBondContact O-N 3.24Å; L61-Q64 PolarHBondContact O-N 2.98Å; L61-W65 PolarHBondContact O-N 2.95Å; L61-W65 VanDerWaalsContact O-N 3.14Å
62	C	40.8	Very low	42.9	Very low	32 Å²	32	104.1 Å²	104.1	22%	0.216	52%	0.516	C	S	.	.	H	α-helix	trans	-55.9	-39.7	175.7	-69.8	0	0	0	0	112.3	L58 W59 Q64 L66	L58-C62 PolarHBondContact O-N 3.43Å; L58-C62 VanDerWaalsContact O-N 3.09Å; L58-C62 PolarHBondContact O-SG 2.93Å; W59-C62 PolarHBondContact O-N 3.12Å; C62-Q64 VanDerWaalsContact C-N 3.28Å; C62-Q64 PolarHBondContact O-N 3.41Å; C62-L66 HydrophobicContact CB-CD1 4.47Å; C62-L66 WeakPolarHBondContact O-CB 3.43Å; C62-L66 WeakPolarHBondContact O-CG 3.49Å; C62-L66 PolarHBondContact O-N 2.55Å
63	C	42.2	Very low	43.6	Very low	80 Å²	80	100.3 Å²	100.3	54%	0.541	50%	0.497	S	S	.	.	H	α-helix	trans	-67.1	-24.3	177.8	-67.5	0	0	0	0	114	W59 E60 L61	W59-C63 PolarHBondContact O-N 3.17Å; W59-C63 PolarHBondContact O-SG 2.92Å; E60-C63 PolarHBondContact O-N 3.08Å; L61-C63 PolarHBondContact O-N 3.24Å
64	Q	45.8	Very low	44.3	Very low	127 Å²	127	100.1 Å²	100.1	59%	0.593	50%	0.496	S	S	*	.	H	α-helix	trans	-87.7	-32.9	179.2	-69.5	176.4	35.6	0	0	112.8	E60 L61 C62	E60-Q64 WeakPolarHBondContact O-CG 3.46Å; E60-Q64 PolarHBondContact O-N 3.07Å; L61-Q64 PolarHBondContact O-N 2.98Å; C62-Q64 VanDerWaalsContact C-N 3.28Å; C62-Q64 PolarHBondContact O-N 3.41Å
65	W	40.8	Very low	44.8	Very low	155 Å²	155	101.4 Å²	101.4	59%	0.587	49%	0.492	S	S	*	.	H	α-helix	trans	-91.4	-29.2	-173.5	-77.3	63.9	0	0	0	114.4	L61 K67 L79	L61-W65 PolarHBondContact O-N 2.95Å; L61-W65 VanDerWaalsContact O-N 3.14Å; W65-K67 PolarHBondContact O-N 3.02Å; W65-L79 HydrophobicContact CZ3-CD1 4.39Å; W65-L79 HydrophobicContact CZ3-CD2 4.36Å
66	L	39.8	Very low	45.5	Very low	94 Å²	94	98.3 Å²	98.3	49%	0.492	48%	0.48	S	S	.	.			trans	-72	88.4	-178.2	-73.3	171.2	0	0	0	112.4	C62 P68 I76	C62-L66 HydrophobicContact CB-CD1 4.47Å; C62-L66 WeakPolarHBondContact O-CB 3.43Å; C62-L66 WeakPolarHBondContact O-CG 3.49Å; C62-L66 PolarHBondContact O-N 2.55Å; L66-P68 WeakPolarHBondContact O-CD 3.34Å; L66-I76 HydrophobicContact CD2-CD1 4.49Å; L66-I76 HydrophobicContact CD2-CG2 3.9Å
67	K	47.8	Very low	46.3	Very low	150 Å²	150	99.3 Å²	99.3	65%	0.652	48%	0.48	S	S	*	.			trans	-107.9	93	162.7	-70.4	173.8	-175.1	163.2	0	108.9	W65 K69	W65-K67 PolarHBondContact O-N 3.02Å; K67-K69 PolarHBondContact O-N 3.06Å
68	P	41.7	Very low	47.3	Very low	80 Å²	80	97 Å²	97	52%	0.519	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	31.7	-170.5	-19.1	34.4	0	0	0	115.7	L66	L66-P68 WeakPolarHBondContact O-CD 3.34Å
69	K	42.9	Very low	48.2	Very low	199 Å²	199	96 Å²	96	87%	0.865	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-8.2	-175.1	-66.5	-173.2	178	-179.7	0	114.2	K67	K67-K69 PolarHBondContact O-N 3.06Å
70	T	45.6	Very low	48.9	Very low	97 Å²	97	92.8 Å²	92.8	60%	0.595	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-11.6	-174.4	50.7	0	0	0	0	115
71	H	48.1	Very low	50.1	Low	93 Å²	93	91.6 Å²	91.6	43%	0.431	46%	0.461	S	S	.	.	S	Bend	trans	-126.9	145.5	-175.4	-62.1	-62.8	0	0	0	112	E75 I76	H71-E75 WeakPolarHBondContact CA-OE2 3.31Å; H71-E75 HydrophobicContact CB-CB 4.34Å; H71-E75 WeakPolarHBondContact CB-OE2 3.36Å; H71-E75 IonicContact CG-OE2 3.92Å; H71-E75 IonicContact ND1-OE2 3.02Å; H71-E75 PolarHBondContact ND1-OE2 3.46Å; H71-E75 VanDerWaalsContact ND1-OE2 3.09Å; H71-I76 HydrophobicContact CB-CD1 4.2Å; H71-I76 HydrophobicContact CB-CG1 3.92Å
72	S	56.6	Low	51.1	Low	39 Å²	39	89.6 Å²	89.6	27%	0.273	45%	0.451	S	S	.	.			trans	-69	163.6	169.3	69	0	0	0	0	111.6	E74 E75 I76	S72-E74 PolarHBondContact O-N 3.41Å; S72-E75 WeakPolarHBondContact CB-OE1 3.48Å; S72-E75 VanDerWaalsContact N-CD 3.32Å; S72-E75 PolarHBondContact N-OE1 3.34Å; S72-E75 PolarHBondContact N-OE2 3.47Å; S72-E75 VanDerWaalsContact OG-CG 3.26Å; S72-E75 WeakPolarHBondContact OG-CG 3.46Å; S72-E75 PolarHBondContact OG-N 3.43Å; S72-E75 VanDerWaalsContact OG-N 3.12Å; S72-E75 PolarHBondContact OG-OE1 2.69Å; S72-I76 WeakPolarHBondContact O-CD1 3.38Å; S72-I76 VanDerWaalsContact O-CG1 3.29Å; S72-I76 WeakPolarHBondContact O-CG1 3.22Å; S72-I76 PolarHBondContact O-N 2.89Å; S72-I76 VanDerWaalsContact O-N 3.14Å
73	K	49.3	Very low	52.1	Low	72 Å²	72	89.9 Å²	89.9	31%	0.313	45%	0.449	S	S	.	.	H	α-helix	trans	-66.6	-28.6	177.3	175.8	-173.1	173.5	-166.3	0	110.8	L77	K73-L77 WeakPolarHBondContact O-CG 3.36Å; K73-L77 PolarHBondContact O-N 3.44Å
74	E	53.8	Low	53.3	Low	112 Å²	112	90 Å²	90	52%	0.523	44%	0.441	S	S	.	.	H	α-helix	trans	-73.3	-50.7	179.9	-64.5	58.8	-131.3	0	0	109.8	S72 I76 L77 E78	S72-E74 PolarHBondContact O-N 3.41Å; E74-I76 VanDerWaalsContact C-N 3.33Å; E74-I76 PolarHBondContact O-N 3.21Å; E74-L77 PolarHBondContact O-N 3.24Å; E74-L77 VanDerWaalsContact O-N 3.09Å; E74-E78 WeakPolarHBondContact O-CG 3.38Å; E74-E78 PolarHBondContact O-N 2.84Å
75	E	53.6	Low	54.1	Low	86 Å²	86	86.8 Å²	86.8	40%	0.402	43%	0.426	S	S	.	.	H	α-helix	trans	-53.7	-46	171.4	-74.1	151.5	-119.7	0	0	112.3	H71 S72 L77 E78 L79	H71-E75 WeakPolarHBondContact CA-OE2 3.31Å; H71-E75 HydrophobicContact CB-CB 4.34Å; H71-E75 WeakPolarHBondContact CB-OE2 3.36Å; H71-E75 IonicContact CG-OE2 3.92Å; H71-E75 IonicContact ND1-OE2 3.02Å; H71-E75 PolarHBondContact ND1-OE2 3.46Å; H71-E75 VanDerWaalsContact ND1-OE2 3.09Å; S72-E75 WeakPolarHBondContact CB-OE1 3.48Å; S72-E75 VanDerWaalsContact N-CD 3.32Å; S72-E75 PolarHBondContact N-OE1 3.34Å; S72-E75 PolarHBondContact N-OE2 3.47Å; S72-E75 VanDerWaalsContact OG-CG 3.26Å; S72-E75 WeakPolarHBondContact OG-CG 3.46Å; S72-E75 PolarHBondContact OG-N 3.43Å; S72-E75 VanDerWaalsContact OG-N 3.12Å; S72-E75 PolarHBondContact OG-OE1 2.69Å; E75-L77 VanDerWaalsContact C-N 3.26Å; E75-L77 PolarHBondContact O-N 3.43Å; E75-E78 PolarHBondContact O-N 3.37Å; E75-L79 WeakPolarHBondContact O-CB 3.42Å; E75-L79 VanDerWaalsContact O-CG 3.31Å; E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 3.36Å
76	I	55.7	Low	54.9	Low	43 Å²	43	79.8 Å²	79.8	22%	0.221	40%	0.4	C	S	.	.	H	α-helix	trans	-61.4	-36.7	179.5	-69	165.5	0	0	0	111.3	L66 H71 S72 E74 L80	L66-I76 HydrophobicContact CD2-CD1 4.49Å; L66-I76 HydrophobicContact CD2-CG2 3.9Å; H71-I76 HydrophobicContact CB-CD1 4.2Å; H71-I76 HydrophobicContact CB-CG1 3.92Å; S72-I76 WeakPolarHBondContact O-CD1 3.38Å; S72-I76 VanDerWaalsContact O-CG1 3.29Å; S72-I76 WeakPolarHBondContact O-CG1 3.22Å; S72-I76 PolarHBondContact O-N 2.89Å; S72-I76 VanDerWaalsContact O-N 3.14Å; E74-I76 VanDerWaalsContact C-N 3.33Å; E74-I76 PolarHBondContact O-N 3.21Å; I76-L80 HydrophobicContact CG2-CD1 4.18Å; I76-L80 WeakPolarHBondContact O-CB 3.34Å; I76-L80 WeakPolarHBondContact O-CD1 3.31Å; I76-L80 VanDerWaalsContact O-CG 3.24Å; I76-L80 WeakPolarHBondContact O-CG 3.13Å; I76-L80 PolarHBondContact O-N 3.35Å
77	L	57.3	Low	56	Low	80 Å²	80	78.8 Å²	78.8	42%	0.419	40%	0.397	S	S	.	.	H	α-helix	trans	-73.7	-38.2	176.8	-72.7	169.4	0	0	0	112.2	K73 E74 E75 L80 V81	K73-L77 WeakPolarHBondContact O-CG 3.36Å; K73-L77 PolarHBondContact O-N 3.44Å; E74-L77 PolarHBondContact O-N 3.24Å; E74-L77 VanDerWaalsContact O-N 3.09Å; E75-L77 VanDerWaalsContact C-N 3.26Å; E75-L77 PolarHBondContact O-N 3.43Å; L77-L80 PolarHBondContact O-N 3.5Å; L77-V81 WeakPolarHBondContact O-CG2 3.47Å; L77-V81 PolarHBondContact O-N 2.94Å
78	E	63.9	Low	56.5	Low	99 Å²	99	77.9 Å²	77.9	46%	0.463	40%	0.398	S	S	.	.	H	α-helix	trans	-67.9	-41.3	176.5	-62.4	-130.7	161.3	0	0	111.9	E74 E75 L80 V81 L82	E74-E78 WeakPolarHBondContact O-CG 3.38Å; E74-E78 PolarHBondContact O-N 2.84Å; E75-E78 PolarHBondContact O-N 3.37Å; E78-L80 PolarHBondContact O-N 3.41Å; E78-V81 PolarHBondContact O-N 3.22Å; E78-L82 VanDerWaalsContact O-CB 3.29Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 PolarHBondContact O-N 3.1Å
79	L	58.3	Low	57.2	Low	52 Å²	52	75.5 Å²	75.5	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-39.4	174.7	-70.8	171.3	0	0	0	112.5	W65 E75 L82 E83	W65-L79 HydrophobicContact CZ3-CD1 4.39Å; W65-L79 HydrophobicContact CZ3-CD2 4.36Å; E75-L79 WeakPolarHBondContact O-CB 3.42Å; E75-L79 VanDerWaalsContact O-CG 3.31Å; E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 3.36Å; L79-L82 HydrophobicContact CD2-CD2 4.43Å; L79-L82 PolarHBondContact O-N 3.07Å; L79-E83 PolarHBondContact O-N 3.37Å
80	L	58.8	Low	57.8	Low	81 Å²	81	68.4 Å²	68.4	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-67.7	-36.9	174.8	-74.9	169.1	0	0	0	112.5	I76 L77 E78 Q84	I76-L80 HydrophobicContact CG2-CD1 4.18Å; I76-L80 WeakPolarHBondContact O-CB 3.34Å; I76-L80 WeakPolarHBondContact O-CD1 3.31Å; I76-L80 VanDerWaalsContact O-CG 3.24Å; I76-L80 WeakPolarHBondContact O-CG 3.13Å; I76-L80 PolarHBondContact O-N 3.35Å; L77-L80 PolarHBondContact O-N 3.5Å; E78-L80 PolarHBondContact O-N 3.41Å; L80-Q84 VanDerWaalsContact O-CB 3.26Å; L80-Q84 WeakPolarHBondContact O-CB 3.4Å; L80-Q84 PolarHBondContact O-N 3.21Å
81	V	67	Low	58.1	Low	97 Å²	97	71 Å²	71	59%	0.588	36%	0.36	S	S	*	.	H	α-helix	trans	-69.1	-39.8	173.9	169.1	0	0	0	0	110.9	L77 E78 Q84 F85	L77-V81 WeakPolarHBondContact O-CG2 3.47Å; L77-V81 PolarHBondContact O-N 2.94Å; E78-V81 PolarHBondContact O-N 3.22Å; V81-Q84 PolarHBondContact O-N 3Å; V81-F85 WeakPolarHBondContact O-CB 3.47Å; V81-F85 PolarHBondContact O-N 3.46Å
82	L	63.9	Low	58.2	Low	14 Å²	14	73.3 Å²	73.3	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-61	-51.5	175.7	173.6	57.7	0	0	0	111.5	E78 L79 Q84 F85 L86 P102 A108	E78-L82 VanDerWaalsContact O-CB 3.29Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 PolarHBondContact O-N 3.1Å; L79-L82 HydrophobicContact CD2-CD2 4.43Å; L79-L82 PolarHBondContact O-N 3.07Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 3.37Å; L82-F85 WeakPolarHBondContact O-CB 3.45Å; L82-F85 PolarHBondContact O-N 3.08Å; L82-F85 VanDerWaalsContact O-N 3.17Å; L82-L86 HydrophobicContact CD1-CD1 4.03Å; L82-L86 HydrophobicContact CD1-CG 4.11Å; L82-L86 HydrophobicContact CG-CD1 4.11Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.12Å; L82-L86 PolarHBondContact O-N 3.13Å; L82-P102 HydrophobicContact CD1-CG 4.38Å; L82-P102 HydrophobicContact CD2-CG 4.46Å; L82-A108 HydrophobicContact CD1-CB 3.22Å
83	E	61.8	Low	58	Low	37 Å²	37	73.9 Å²	73.9	17%	0.173	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-33.4	178	-175.4	153.6	-119.5	0	0	112.5	L79 F85 L86 T87 R98	L79-E83 PolarHBondContact O-N 3.37Å; E83-F85 VanDerWaalsContact C-N 3.31Å; E83-F85 PolarHBondContact O-N 3.17Å; E83-L86 PolarHBondContact O-N 2.98Å; E83-T87 HydrophobicContact CG-CG2 4.44Å; E83-T87 WeakPolarHBondContact O-CG2 3.43Å; E83-T87 PolarHBondContact O-N 2.93Å; E83-T87 PolarHBondContact O-OG1 3.44Å; E83-R98 IonicContact OE1-CZ 2.7Å; E83-R98 IonicContact OE1-NH1 2.76Å; E83-R98 PolarHBondContact OE1-NH1 3.12Å; E83-R98 IonicContact OE1-NH2 3.87Å; E83-R98 PolarHBondContact OE1-NH2 3.48Å
84	Q	67.3	Low	58.5	Low	83 Å²	83	72.3 Å²	72.3	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-68.4	-28.6	173.1	-173.9	58.4	95.3	0	0	112.8	L80 V81 L82 T87 I88	L80-Q84 VanDerWaalsContact O-CB 3.26Å; L80-Q84 WeakPolarHBondContact O-CB 3.4Å; L80-Q84 PolarHBondContact O-N 3.21Å; V81-Q84 PolarHBondContact O-N 3Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 3.37Å; Q84-T87 WeakPolarHBondContact CA-OG1 3.38Å; Q84-T87 PolarHBondContact NE2-OG1 3.31Å; Q84-T87 VanDerWaalsContact NE2-OG1 3.11Å; Q84-T87 PolarHBondContact O-OG1 3.41Å; Q84-I88 VanDerWaalsContact O-CD1 3.29Å; Q84-I88 WeakPolarHBondContact O-CD1 3.29Å; Q84-I88 WeakPolarHBondContact O-CG1 3.2Å
85	F	61.7	Low	58.8	Low	60 Å²	60	70.2 Å²	70.2	26%	0.263	36%	0.36	S	S	.	.	H	α-helix	trans	-72.7	-48.3	170.1	174.1	-108.9	0	0	0	111.2	V81 L82 E83 T87 I88 L89 V109 V112	V81-F85 WeakPolarHBondContact O-CB 3.47Å; V81-F85 PolarHBondContact O-N 3.46Å; L82-F85 WeakPolarHBondContact O-CB 3.45Å; L82-F85 PolarHBondContact O-N 3.08Å; L82-F85 VanDerWaalsContact O-N 3.17Å; E83-F85 VanDerWaalsContact C-N 3.31Å; E83-F85 PolarHBondContact O-N 3.17Å; F85-T87 VanDerWaalsContact C-N 3.25Å; F85-T87 PolarHBondContact O-N 3.06Å; F85-I88 WeakPolarHBondContact O-CB 3.48Å; F85-I88 PolarHBondContact O-N 3.41Å; F85-L89 HydrophobicContact CD1-CD1 4.43Å; F85-L89 HydrophobicContact CE1-CD1 4.03Å; F85-L89 HydrophobicContact CZ-CD1 4.45Å; F85-L89 HydrophobicContact CZ-CD2 4.27Å; F85-V109 HydrophobicContact CD1-CG2 4.47Å; F85-V109 HydrophobicContact CE1-CG2 3.9Å; F85-V109 HydrophobicContact CE2-CG2 4.01Å; F85-V109 HydrophobicContact CZ-CG2 3.65Å; F85-V112 HydrophobicContact CE1-CG2 4.12Å; F85-V112 HydrophobicContact CZ-CG2 4.33Å
86	L	58.5	Low	59.2	Low	8 Å²	8	70.4 Å²	70.4	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-34.2	178.9	-71.9	174	0	0	0	112.9	L82 E83 I88 L89 Q94 V97 R98	L82-L86 HydrophobicContact CD1-CD1 4.03Å; L82-L86 HydrophobicContact CD1-CG 4.11Å; L82-L86 HydrophobicContact CG-CD1 4.11Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.12Å; L82-L86 PolarHBondContact O-N 3.13Å; E83-L86 PolarHBondContact O-N 2.98Å; L86-I88 PolarHBondContact O-N 3.37Å; L86-L89 HydrophobicContact CD2-CD1 4.05Å; L86-L89 PolarHBondContact O-N 3.01Å; L86-Q94 HydrophobicContact CB-CG 4.31Å; L86-Q94 PolarHBondContact O-NE2 3.01Å; L86-V97 HydrophobicContact CD2-CB 3.74Å; L86-V97 HydrophobicContact CD2-CG1 3.63Å; L86-R98 HydrophobicContact CD1-CG 4.06Å
87	T	62.6	Low	59.5	Low	72 Å²	72	68.4 Å²	68.4	44%	0.442	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.6	176.5	45.9	0	0	0	0	115	E83 Q84 F85	E83-T87 HydrophobicContact CG-CG2 4.44Å; E83-T87 WeakPolarHBondContact O-CG2 3.43Å; E83-T87 PolarHBondContact O-N 2.93Å; E83-T87 PolarHBondContact O-OG1 3.44Å; Q84-T87 WeakPolarHBondContact CA-OG1 3.38Å; Q84-T87 PolarHBondContact NE2-OG1 3.31Å; Q84-T87 VanDerWaalsContact NE2-OG1 3.11Å; Q84-T87 PolarHBondContact O-OG1 3.41Å; F85-T87 VanDerWaalsContact C-N 3.25Å; F85-T87 PolarHBondContact O-N 3.06Å
88	I	58.4	Low	59.9	Low	131 Å²	131	69 Å²	69	67%	0.672	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-13.4	173.2	-62	165.9	0	0	0	111.1	Q84 F85 L86	Q84-I88 VanDerWaalsContact O-CD1 3.29Å; Q84-I88 WeakPolarHBondContact O-CD1 3.29Å; Q84-I88 WeakPolarHBondContact O-CG1 3.2Å; F85-I88 WeakPolarHBondContact O-CB 3.48Å; F85-I88 PolarHBondContact O-N 3.41Å; L86-I88 PolarHBondContact O-N 3.37Å
89	L	56	Low	60	Low	31 Å²	31	70 Å²	70	16%	0.162	35%	0.348	C	S	.	.	S	Bend	trans	-82.9	152.9	177.4	-57.4	177.4	0	0	0	111.8	F85 L86 I93 V112	F85-L89 HydrophobicContact CD1-CD1 4.43Å; F85-L89 HydrophobicContact CE1-CD1 4.03Å; F85-L89 HydrophobicContact CZ-CD1 4.45Å; F85-L89 HydrophobicContact CZ-CD2 4.27Å; L86-L89 HydrophobicContact CD2-CD1 4.05Å; L86-L89 PolarHBondContact O-N 3.01Å; L89-I93 HydrophobicContact CD1-CG2 4.11Å; L89-V112 HydrophobicContact CD1-CG2 3.71Å; L89-V112 HydrophobicContact CD2-CG1 4.42Å
90	P	56.5	Low	60.2	Low	50 Å²	50	72.1 Å²	72.1	33%	0.325	36%	0.357	S	S	.	.			trans	-54.1	148.7	166.8	-24.2	34.4	0	0	0	112.2	E92 I93 Q94	P90-E92 WeakPolarHBondContact CB-OE2 3.49Å; P90-E92 PolarHBondContact O-N 3.13Å; P90-I93 HydrophobicContact CB-CG1 4.5Å; P90-I93 HydrophobicContact CG-CD1 4.21Å; P90-I93 PolarHBondContact O-N 2.57Å; P90-I93 VanDerWaalsContact O-N 3.08Å; P90-Q94 WeakPolarHBondContact O-CB 3.46Å; P90-Q94 PolarHBondContact O-N 3.11Å
91	E	51.1	Low	60.1	Low	150 Å²	150	75.8 Å²	75.8	70%	0.701	37%	0.371	S	S	*	.	H	α-helix	trans	-61	-31.3	-170.8	-166	163.1	-148.1	0	0	112.9	T95	E91-T95 WeakPolarHBondContact O-CB 3.27Å; E91-T95 PolarHBondContact O-N 3.24Å; E91-T95 PolarHBondContact O-OG1 3.38Å
92	E	51.1	Low	59.7	Low	143 Å²	143	71.9 Å²	71.9	67%	0.668	35%	0.348	S	S	*	.	H	α-helix	trans	-69.5	-44.6	176.2	-45.5	89.1	156.2	0	0	111.6	P90 T95 W96	P90-E92 WeakPolarHBondContact CB-OE2 3.49Å; P90-E92 PolarHBondContact O-N 3.13Å; E92-T95 PolarHBondContact O-N 3.08Å; E92-W96 PolarHBondContact O-N 2.86Å; E92-W96 VanDerWaalsContact O-N 3.12Å
93	I	51.7	Low	59	Low	51 Å²	51	79.4 Å²	79.4	26%	0.262	38%	0.383	S	S	.	.	H	α-helix	trans	-72.2	-40	177.7	-56.4	-177.9	0	0	0	109.9	L89 P90 T95 W96 V97 V112	L89-I93 HydrophobicContact CD1-CG2 4.11Å; P90-I93 HydrophobicContact CB-CG1 4.5Å; P90-I93 HydrophobicContact CG-CD1 4.21Å; P90-I93 PolarHBondContact O-N 2.57Å; P90-I93 VanDerWaalsContact O-N 3.08Å; I93-T95 VanDerWaalsContact C-N 3.3Å; I93-T95 PolarHBondContact O-N 3.17Å; I93-W96 PolarHBondContact O-N 3.09Å; I93-V97 HydrophobicContact CG2-CG2 4.2Å; I93-V97 VanDerWaalsContact O-CG2 3.31Å; I93-V97 WeakPolarHBondContact O-CG2 3.21Å; I93-V97 PolarHBondContact O-N 3.25Å; I93-V112 HydrophobicContact CG2-CG2 4.21Å
94	Q	59.3	Low	58.8	Low	39 Å²	39	80 Å²	80	18%	0.182	39%	0.387	C	S	.	.	H	α-helix	trans	-57.1	-44.6	174.3	179.3	-176.9	106.6	0	0	111.1	L86 P90 R98	L86-Q94 HydrophobicContact CB-CG 4.31Å; L86-Q94 PolarHBondContact O-NE2 3.01Å; P90-Q94 WeakPolarHBondContact O-CB 3.46Å; P90-Q94 PolarHBondContact O-N 3.11Å; Q94-R98 WeakPolarHBondContact O-CB 3.29Å; Q94-R98 VanDerWaalsContact O-CG 3.27Å; Q94-R98 WeakPolarHBondContact O-CG 3.49Å; Q94-R98 PolarHBondContact O-N 3.44Å; Q94-R98 VanDerWaalsContact O-N 3.07Å
95	T	61.1	Low	58	Low	68 Å²	68	77 Å²	77	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-51.3	178.3	-57.8	0	0	0	0	110.6	E91 E92 I93 V97 R98 E99	E91-T95 WeakPolarHBondContact O-CB 3.27Å; E91-T95 PolarHBondContact O-N 3.24Å; E91-T95 PolarHBondContact O-OG1 3.38Å; E92-T95 PolarHBondContact O-N 3.08Å; I93-T95 VanDerWaalsContact C-N 3.3Å; I93-T95 PolarHBondContact O-N 3.17Å; T95-V97 PolarHBondContact O-N 3Å; T95-R98 WeakPolarHBondContact O-CB 3.46Å; T95-R98 PolarHBondContact O-N 3.17Å; T95-R98 VanDerWaalsContact O-N 3.1Å; T95-E99 WeakPolarHBondContact O-CG 3.39Å; T95-E99 PolarHBondContact O-N 3.29Å
96	W	62.3	Low	57.6	Low	90 Å²	90	80.1 Å²	80.1	34%	0.341	39%	0.393	S	S	.	.	H	α-helix	trans	-59.5	-42.7	179.8	-178.8	82.9	0	0	0	113.3	E92 I93 R98 E99 Q100 L111 V115	E92-W96 PolarHBondContact O-N 2.86Å; E92-W96 VanDerWaalsContact O-N 3.12Å; I93-W96 PolarHBondContact O-N 3.09Å; W96-R98 VanDerWaalsContact C-N 3.34Å; W96-R98 PolarHBondContact O-N 3.05Å; W96-E99 WeakPolarHBondContact O-CB 3.39Å; W96-E99 PolarHBondContact O-N 3.32Å; W96-Q100 HydrophobicContact CD2-CG 4.27Å; W96-Q100 HydrophobicContact CE3-CG 4.39Å; W96-Q100 HydrophobicContact CH2-CG 3.92Å; W96-Q100 HydrophobicContact CZ2-CG 3.76Å; W96-Q100 HydrophobicContact CZ3-CG 4.23Å; W96-Q100 WeakPolarHBondContact O-CG 3.19Å; W96-Q100 PolarHBondContact O-N 2.78Å; W96-L111 HydrophobicContact CH2-CB 4.21Å; W96-L111 HydrophobicContact CH2-CD2 3.93Å; W96-L111 HydrophobicContact CZ3-CB 3.9Å; W96-L111 HydrophobicContact CZ3-CD2 4.41Å; W96-V115 HydrophobicContact CD2-CG2 4.01Å; W96-V115 HydrophobicContact CE3-CG2 3.48Å; W96-V115 VanDerWaalsContact CE3-CG2 3.48Å; W96-V115 HydrophobicContact CH2-CG2 3.47Å; W96-V115 VanDerWaalsContact CH2-CG2 3.47Å; W96-V115 HydrophobicContact CZ2-CG2 4Å; W96-V115 HydrophobicContact CZ3-CG2 3.18Å
97	V	60.2	Low	57.6	Low	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-68.2	-33.2	177	-176.5	0	0	0	0	111.5	L86 I93 T95 E99 Q100 P102 A108 V112	L86-V97 HydrophobicContact CD2-CB 3.74Å; L86-V97 HydrophobicContact CD2-CG1 3.63Å; I93-V97 HydrophobicContact CG2-CG2 4.2Å; I93-V97 VanDerWaalsContact O-CG2 3.31Å; I93-V97 WeakPolarHBondContact O-CG2 3.21Å; I93-V97 PolarHBondContact O-N 3.25Å; T95-V97 PolarHBondContact O-N 3Å; V97-E99 VanDerWaalsContact C-N 3.33Å; V97-Q100 PolarHBondContact O-N 2.8Å; V97-P102 HydrophobicContact CG1-CG 3.96Å; V97-P102 WeakPolarHBondContact O-CD 3.15Å; V97-A108 HydrophobicContact CG1-CB 4.09Å; V97-V112 HydrophobicContact CG2-CG2 3.59Å
98	R	66.4	Low	57.4	Low	93 Å²	93	80.3 Å²	80.3	35%	0.351	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-35	172.6	-74.2	178.1	-169.8	-92.9	4.9	111.9	E83 L86 Q94 T95 W96 H101	E83-R98 IonicContact OE1-CZ 2.7Å; E83-R98 IonicContact OE1-NH1 2.76Å; E83-R98 PolarHBondContact OE1-NH1 3.12Å; E83-R98 IonicContact OE1-NH2 3.87Å; E83-R98 PolarHBondContact OE1-NH2 3.48Å; L86-R98 HydrophobicContact CD1-CG 4.06Å; Q94-R98 WeakPolarHBondContact O-CB 3.29Å; Q94-R98 VanDerWaalsContact O-CG 3.27Å; Q94-R98 WeakPolarHBondContact O-CG 3.49Å; Q94-R98 PolarHBondContact O-N 3.44Å; Q94-R98 VanDerWaalsContact O-N 3.07Å; T95-R98 WeakPolarHBondContact O-CB 3.46Å; T95-R98 PolarHBondContact O-N 3.17Å; T95-R98 VanDerWaalsContact O-N 3.1Å; W96-R98 VanDerWaalsContact C-N 3.34Å; W96-R98 PolarHBondContact O-N 3.05Å; R98-H101 PolarHBondContact O-N 3.2Å
99	E	65.5	Low	57.2	Low	121 Å²	121	76.8 Å²	76.8	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-68.5	-29.5	175.7	-69.1	172.8	163.6	0	0	113.5	T95 W96 V97 H101	T95-E99 WeakPolarHBondContact O-CG 3.39Å; T95-E99 PolarHBondContact O-N 3.29Å; W96-E99 WeakPolarHBondContact O-CB 3.39Å; W96-E99 PolarHBondContact O-N 3.32Å; V97-E99 VanDerWaalsContact C-N 3.33Å; E99-H101 VanDerWaalsContact C-N 3.26Å; E99-H101 PolarHBondContact O-CD2 2.97Å; E99-H101 PolarHBondContact O-N 2.74Å
100	Q	63	Low	57.4	Low	96 Å²	96	77.6 Å²	77.6	45%	0.449	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.6	176.1	-60.3	-48.1	-70.7	0	0	113.9	W96 V97 L111	W96-Q100 HydrophobicContact CD2-CG 4.27Å; W96-Q100 HydrophobicContact CE3-CG 4.39Å; W96-Q100 HydrophobicContact CH2-CG 3.92Å; W96-Q100 HydrophobicContact CZ2-CG 3.76Å; W96-Q100 HydrophobicContact CZ3-CG 4.23Å; W96-Q100 WeakPolarHBondContact O-CG 3.19Å; W96-Q100 PolarHBondContact O-N 2.78Å; V97-Q100 PolarHBondContact O-N 2.8Å; Q100-L111 HydrophobicContact CB-CD1 3.78Å; Q100-L111 HydrophobicContact CB-CD2 4.35Å; Q100-L111 HydrophobicContact CG-CD1 4.47Å; Q100-L111 HydrophobicContact CG-CD2 4.31Å
101	H	56.5	Low	57.5	Low	158 Å²	158	77.1 Å²	77.1	73%	0.731	38%	0.379	S	S	*	.			trans	46.4	50.3	176.6	-67.1	-69.4	0	0	0	116.4	R98 E99 E103	R98-H101 PolarHBondContact O-N 3.2Å; E99-H101 VanDerWaalsContact C-N 3.26Å; E99-H101 PolarHBondContact O-CD2 2.97Å; E99-H101 PolarHBondContact O-N 2.74Å; H101-E103 PolarHBondContact O-N 3.06Å
102	P	58.9	Low	57.6	Low	14 Å²	14	70.6 Å²	70.6	9%	0.091	35%	0.349	C	S	.	.			trans	-60.4	134.1	177	25.9	-34.3	0	0	0	111.8	L82 V97 N104 E107 A108 L111	L82-P102 HydrophobicContact CD1-CG 4.38Å; L82-P102 HydrophobicContact CD2-CG 4.46Å; V97-P102 HydrophobicContact CG1-CG 3.96Å; V97-P102 WeakPolarHBondContact O-CD 3.15Å; P102-N104 VanDerWaalsContact C-N 3.35Å; P102-E107 WeakPolarHBondContact CA-OE2 3.25Å; P102-E107 HydrophobicContact CB-CB 4.18Å; P102-E107 HydrophobicContact CB-CG 3.92Å; P102-A108 HydrophobicContact CB-CB 4Å; P102-A108 HydrophobicContact CG-CB 3.8Å; P102-L111 HydrophobicContact CB-CD1 3.95Å; P102-L111 HydrophobicContact CG-CD1 4.17Å
103	E	50.2	Low	57.7	Low	173 Å²	173	68 Å²	68	81%	0.808	34%	0.337	S	S	*	.	S	Bend	trans	-79.9	-19.7	-178.5	-64.3	-167.5	158.1	0	0	112.4	H101 E107	H101-E103 PolarHBondContact O-N 3.06Å; E103-E107 PolarHBondContact N-OE2 2.84Å
104	N	56	Low	57.7	Low	50 Å²	50	69.4 Å²	69.4	27%	0.267	35%	0.345	S	S	.	.	S	Bend	trans	-145	165.8	-174.5	67.3	84.6	0	0	0	113.1	P102 E106 E107 A108	P102-N104 VanDerWaalsContact C-N 3.35Å; N104-E106 PolarHBondContact O-N 2.78Å; N104-E106 PolarHBondContact OD1-N 2.61Å; N104-E107 PolarHBondContact ND2-OE2 3.46Å; N104-E107 WeakPolarHBondContact OD1-CB 3.28Å; N104-E107 PolarHBondContact OD1-N 2.95Å; N104-A108 PolarHBondContact O-N 2.9Å
105	G	51.3	Low	57.3	Low	18 Å²	18	70.6 Å²	70.6	19%	0.186	36%	0.355	C	S	.	.	H	α-helix	trans	-70.4	-26.5	-177.2	0	0	0	0	0	115.1	V109	G105-V109 VanDerWaalsContact O-CG2 3.31Å; G105-V109 WeakPolarHBondContact O-CG2 3.42Å; G105-V109 PolarHBondContact O-N 3.45Å
106	E	53.1	Low	56.6	Low	127 Å²	127	74.9 Å²	74.9	59%	0.593	37%	0.37	S	S	*	.	H	α-helix	trans	-77.2	-35.4	179.6	-56.9	-160.8	146.7	0	0	111.2	N104 V109 A110 K441	N104-E106 PolarHBondContact O-N 2.78Å; N104-E106 PolarHBondContact OD1-N 2.61Å; E106-V109 PolarHBondContact O-N 3.17Å; E106-A110 WeakPolarHBondContact O-CB 3.37Å; E106-A110 PolarHBondContact O-N 3.11Å; E106-K441 IonicContact OE1-NZ 3.56Å; E106-K441 PolarHBondContact OE1-NZ 2.87Å
107	E	59	Low	55.6	Low	84 Å²	84	78 Å²	78	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-65.3	-44	172.1	-175.6	171	-129.2	0	0	112.3	P102 E103 N104 V109 A110 L111	P102-E107 WeakPolarHBondContact CA-OE2 3.25Å; P102-E107 HydrophobicContact CB-CB 4.18Å; P102-E107 HydrophobicContact CB-CG 3.92Å; E103-E107 PolarHBondContact N-OE2 2.84Å; N104-E107 PolarHBondContact ND2-OE2 3.46Å; N104-E107 WeakPolarHBondContact OD1-CB 3.28Å; N104-E107 PolarHBondContact OD1-N 2.95Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 PolarHBondContact O-N 3.32Å; E107-A110 WeakPolarHBondContact O-CB 3.44Å; E107-A110 PolarHBondContact O-N 3.28Å; E107-L111 HydrophobicContact CG-CD1 4.4Å; E107-L111 WeakPolarHBondContact O-CB 3.21Å; E107-L111 WeakPolarHBondContact O-CG 3.22Å; E107-L111 PolarHBondContact O-N 2.97Å
108	A	58.4	Low	54.5	Low	0 Å²	0	81.2 Å²	81.2	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-63.7	-35.1	174.9	0	0	0	0	0	113.1	L82 V97 P102 N104 V112	L82-A108 HydrophobicContact CD1-CB 3.22Å; V97-A108 HydrophobicContact CG1-CB 4.09Å; P102-A108 HydrophobicContact CB-CB 4Å; P102-A108 HydrophobicContact CG-CB 3.8Å; N104-A108 PolarHBondContact O-N 2.9Å; A108-V112 WeakPolarHBondContact O-CG2 3.32Å; A108-V112 PolarHBondContact O-N 2.71Å; A108-V112 VanDerWaalsContact O-N 3.15Å
109	V	53.6	Low	53.1	Low	57 Å²	57	83.3 Å²	83.3	35%	0.345	43%	0.434	S	S	.	.	H	α-helix	trans	-67.8	-43	172.1	169.2	0	0	0	0	110.8	F85 G105 E106 E107 L111 V112 E113	F85-V109 HydrophobicContact CD1-CG2 4.47Å; F85-V109 HydrophobicContact CE1-CG2 3.9Å; F85-V109 HydrophobicContact CE2-CG2 4.01Å; F85-V109 HydrophobicContact CZ-CG2 3.65Å; G105-V109 VanDerWaalsContact O-CG2 3.31Å; G105-V109 WeakPolarHBondContact O-CG2 3.42Å; G105-V109 PolarHBondContact O-N 3.45Å; E106-V109 PolarHBondContact O-N 3.17Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 PolarHBondContact O-N 3.32Å; V109-L111 PolarHBondContact O-N 3.07Å; V109-V112 PolarHBondContact O-N 3.12Å; V109-E113 PolarHBondContact O-N 3.36Å
110	A	59.5	Low	52	Low	48 Å²	48	80.2 Å²	80.2	40%	0.397	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-43.8	176.2	0	0	0	0	0	112	E106 E107 V112 E113 D114	E106-A110 WeakPolarHBondContact O-CB 3.37Å; E106-A110 PolarHBondContact O-N 3.11Å; E107-A110 WeakPolarHBondContact O-CB 3.44Å; E107-A110 PolarHBondContact O-N 3.28Å; A110-V112 VanDerWaalsContact C-N 3.35Å; A110-V112 PolarHBondContact O-N 3.09Å; A110-E113 PolarHBondContact O-N 2.95Å; A110-D114 WeakPolarHBondContact O-CB 3.29Å; A110-D114 PolarHBondContact O-N 3.32Å
111	L	58.4	Low	50.5	Low	39 Å²	39	83.9 Å²	83.9	20%	0.204	45%	0.452	C	S	.	.	H	α-helix	trans	-59	-41.9	174.4	-74.4	169.5	0	0	0	112.3	W96 Q100 P102 E107 V109 D114 V115	W96-L111 HydrophobicContact CH2-CB 4.21Å; W96-L111 HydrophobicContact CH2-CD2 3.93Å; W96-L111 HydrophobicContact CZ3-CB 3.9Å; W96-L111 HydrophobicContact CZ3-CD2 4.41Å; Q100-L111 HydrophobicContact CB-CD1 3.78Å; Q100-L111 HydrophobicContact CB-CD2 4.35Å; Q100-L111 HydrophobicContact CG-CD1 4.47Å; Q100-L111 HydrophobicContact CG-CD2 4.31Å; P102-L111 HydrophobicContact CB-CD1 3.95Å; P102-L111 HydrophobicContact CG-CD1 4.17Å; E107-L111 HydrophobicContact CG-CD1 4.4Å; E107-L111 WeakPolarHBondContact O-CB 3.21Å; E107-L111 WeakPolarHBondContact O-CG 3.22Å; E107-L111 PolarHBondContact O-N 2.97Å; V109-L111 PolarHBondContact O-N 3.07Å; L111-D114 PolarHBondContact O-N 2.6Å; L111-V115 WeakPolarHBondContact O-CG2 3.46Å; L111-V115 PolarHBondContact O-N 3.08Å
112	V	54.9	Low	49.2	Very low	14 Å²	14	84.6 Å²	84.6	9%	0.085	46%	0.456	C	S	.	.	H	α-helix	trans	-69.4	-37.4	175.7	171.8	0	0	0	0	112.3	F85 L89 I93 V97 A108 V109 A110 D114 Q116	F85-V112 HydrophobicContact CE1-CG2 4.12Å; F85-V112 HydrophobicContact CZ-CG2 4.33Å; L89-V112 HydrophobicContact CD1-CG2 3.71Å; L89-V112 HydrophobicContact CD2-CG1 4.42Å; I93-V112 HydrophobicContact CG2-CG2 4.21Å; V97-V112 HydrophobicContact CG2-CG2 3.59Å; A108-V112 WeakPolarHBondContact O-CG2 3.32Å; A108-V112 PolarHBondContact O-N 2.71Å; A108-V112 VanDerWaalsContact O-N 3.15Å; V109-V112 PolarHBondContact O-N 3.12Å; A110-V112 VanDerWaalsContact C-N 3.35Å; A110-V112 PolarHBondContact O-N 3.09Å; V112-D114 VanDerWaalsContact C-N 3.34Å; V112-Q116 WeakPolarHBondContact O-CG 3.22Å; V112-Q116 PolarHBondContact O-N 3.09Å
113	E	53.3	Low	48	Very low	87 Å²	87	90.1 Å²	90.1	41%	0.407	49%	0.489	S	S	.	.	H	α-helix	trans	-66.4	-36	172.6	-79	-158.6	-160.5	0	0	112.3	V109 A110 Q116 R117	V109-E113 PolarHBondContact O-N 3.36Å; A110-E113 PolarHBondContact O-N 2.95Å; E113-Q116 CarbonylContact O-C 3.57Å; E113-Q116 WeakPolarHBondContact O-CA 3.26Å; E113-Q116 WeakPolarHBondContact O-CB 3.46Å; E113-Q116 PolarHBondContact O-N 3.37Å; E113-Q116 VanDerWaalsContact O-N 3.13Å; E113-R117 VanDerWaalsContact O-CB 3.3Å; E113-R117 WeakPolarHBondContact O-CB 3.34Å; E113-R117 PolarHBondContact O-N 3.24Å; E113-R117 VanDerWaalsContact O-N 3.14Å; E113-R117 IonicContact OE2-CZ 3.96Å; E113-R117 IonicContact OE2-NH1 3.88Å; E113-R117 PolarHBondContact OE2-NH1 3.14Å; E113-R117 IonicContact OE2-NH2 3.11Å; E113-R117 PolarHBondContact OE2-NH2 3.19Å
114	D	51.2	Low	47.3	Very low	81 Å²	81	87.4 Å²	87.4	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-76.7	-29	178.8	-78.4	-10.7	0	0	0	112.5	A110 L111 V112 Q116 R117 A118	A110-D114 WeakPolarHBondContact O-CB 3.29Å; A110-D114 PolarHBondContact O-N 3.32Å; L111-D114 PolarHBondContact O-N 2.6Å; V112-D114 VanDerWaalsContact C-N 3.34Å; D114-Q116 PolarHBondContact O-N 2.97Å; D114-R117 CarbonylContact O-C 3.5Å; D114-R117 PolarHBondContact O-N 3.23Å; D114-R117 IonicContact OD1-NH1 3.05Å; D114-R117 PolarHBondContact OD1-NH1 3.04Å; D114-A118 WeakPolarHBondContact O-CB 3.43Å; D114-A118 PolarHBondContact O-N 3.47Å
115	V	50.3	Low	46.2	Very low	65 Å²	65	91.7 Å²	91.7	39%	0.394	51%	0.509	S	S	.	.	H	α-helix	trans	-58.9	-32.9	162.9	166.7	0	0	0	0	112	W96 L111 R117	W96-V115 HydrophobicContact CD2-CG2 4.01Å; W96-V115 HydrophobicContact CE3-CG2 3.48Å; W96-V115 VanDerWaalsContact CE3-CG2 3.48Å; W96-V115 HydrophobicContact CH2-CG2 3.47Å; W96-V115 VanDerWaalsContact CH2-CG2 3.47Å; W96-V115 HydrophobicContact CZ2-CG2 4Å; W96-V115 HydrophobicContact CZ3-CG2 3.18Å; L111-V115 WeakPolarHBondContact O-CG2 3.46Å; L111-V115 PolarHBondContact O-N 3.08Å; V115-R117 VanDerWaalsContact C-N 3.31Å
116	Q	46.2	Very low	45.2	Very low	158 Å²	158	96.2 Å²	96.2	74%	0.738	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.9	175	-64.4	174.4	34.5	0	0	113.5	V112 E113 D114	V112-Q116 WeakPolarHBondContact O-CG 3.22Å; V112-Q116 PolarHBondContact O-N 3.09Å; E113-Q116 CarbonylContact O-C 3.57Å; E113-Q116 WeakPolarHBondContact O-CA 3.26Å; E113-Q116 WeakPolarHBondContact O-CB 3.46Å; E113-Q116 PolarHBondContact O-N 3.37Å; E113-Q116 VanDerWaalsContact O-N 3.13Å; D114-Q116 PolarHBondContact O-N 2.97Å
117	R	42	Very low	44.4	Very low	154 Å²	154	97.8 Å²	97.8	58%	0.581	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-23.2	-169.1	-168.1	177.4	-71.1	125.3	-2.4	114.3	E113 D114 V115 P119	E113-R117 VanDerWaalsContact O-CB 3.3Å; E113-R117 WeakPolarHBondContact O-CB 3.34Å; E113-R117 PolarHBondContact O-N 3.24Å; E113-R117 VanDerWaalsContact O-N 3.14Å; E113-R117 IonicContact OE2-CZ 3.96Å; E113-R117 IonicContact OE2-NH1 3.88Å; E113-R117 PolarHBondContact OE2-NH1 3.14Å; E113-R117 IonicContact OE2-NH2 3.11Å; E113-R117 PolarHBondContact OE2-NH2 3.19Å; D114-R117 CarbonylContact O-C 3.5Å; D114-R117 PolarHBondContact O-N 3.23Å; D114-R117 IonicContact OD1-NH1 3.05Å; D114-R117 PolarHBondContact OD1-NH1 3.04Å; V115-R117 VanDerWaalsContact C-N 3.31Å; R117-P119 WeakPolarHBondContact O-CD 3.24Å
118	A	35.8	Very low	43.1	Very low	68 Å²	68	102.4 Å²	102.4	56%	0.562	56%	0.564	S	S	*	*			trans	-91.1	116.2	-170.4	0	0	0	0	0	113.3	D114 G120	D114-A118 WeakPolarHBondContact O-CB 3.43Å; D114-A118 PolarHBondContact O-N 3.47Å; A118-G120 PolarHBondContact O-N 2.9Å
119	P	38.6	Very low	42	Very low	137 Å²	137	109.3 Å²	109.3	89%	0.89	60%	0.601	S	S	*	*			trans	-79.5	51.3	170	35.2	-36.1	0	0	0	112.5	R117	R117-P119 WeakPolarHBondContact O-CD 3.24Å
120	G	41.8	Very low	41	Very low	56 Å²	56	112.7 Å²	112.7	58%	0.577	62%	0.616	S	S	*	*			trans	70.6	132.8	161.7	0	0	0	0	0	119.3	A118	A118-G120 PolarHBondContact O-N 2.9Å
121	Q	31.2	Very low	39.7	Very low	174 Å²	174	119.9 Å²	119.9	81%	0.813	64%	0.639	S	S	*	*			trans	-157.3	135.5	148.6	-150.6	89.7	49.1	0	0	111.5
122	Q	30.5	Very low	38.6	Very low	173 Å²	173	125 Å²	125	81%	0.808	67%	0.665	S	S	*	*			trans	61.8	108.9	156.9	-78.2	164.1	8.6	0	0	121.5
123	V	32.8	Very low	37.3	Very low	129 Å²	129	131.2 Å²	131.2	78%	0.782	70%	0.697	S	S	*	*			trans	-126.6	144.8	138.9	177.1	0	0	0	0	106.8
124	P	35.3	Very low	36.1	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	72%	0.722	S	S	*	*			trans	-110.9	106.2	160.3	32.9	-21.3	0	0	0	109.8
125	D	33.1	Very low	35.3	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	74%	0.744	S	S	*	*				85.2	105.1	74.8	-86.5	-18.2	0	0	0	114.4
126	S	30.7	Very low	34.3	Very low	114 Å²	114	146.2 Å²	146.2	80%	0.797	76%	0.762	S	S	*	*			trans	-144.1	41.9	150.9	74.8	0	0	0	0	111.6	K128	S126-K128 PolarHBondContact O-N 3.33Å
127	E	35	Very low	33.4	Very low	160 Å²	160	146.8 Å²	146.8	75%	0.748	77%	0.767	S	S	*	*			trans	-70	94.5	177.3	-171	-178.5	-140.6	0	0	111
128	K	33.2	Very low	32.8	Very low	181 Å²	181	144.1 Å²	144.1	79%	0.787	78%	0.778	S	S	*	*			trans	-124.2	-24.9	171.2	-87.6	-174.4	173.7	176.9	0	115.1	S126	S126-K128 PolarHBondContact O-N 3.33Å
129	D	33.8	Very low	33.2	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	79%	0.787	S	S	*	*	S	Bend	trans	-96.9	-10.8	-165	-58.8	-37	0	0	0	114.9
130	L	33.4	Very low	32.8	Very low	128 Å²	128	147.9 Å²	147.9	67%	0.67	79%	0.787	S	S	*	*			trans	-89.4	4.4	-178.4	-79.8	168.2	0	0	0	115.1	I132	L130-I132 PolarHBondContact O-N 3.21Å
131	K	31.3	Very low	32.2	Very low	200 Å²	200	148.3 Å²	148.3	87%	0.87	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	30.1	-178	-149.7	173.2	-174.1	172.7	0	114.6
132	I	35.6	Very low	32.2	Very low	146 Å²	146	147.3 Å²	147.3	75%	0.749	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	-14.1	-172.1	-67	178.8	0	0	0	112.8	L130	L130-I132 PolarHBondContact O-N 3.21Å
133	L	28.2	Very low	32.5	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	79%	0.792	S	S	*	*	S	Bend	trans	-124.4	30	-167.5	-67.2	175.3	0	0	0	115.7
134	M	28.5	Very low	32.3	Very low	190 Å²	190	147.4 Å²	147.4	94%	0.936	79%	0.788	S	S	*	*			trans	-138.1	41.4	173.1	-74.7	-159.9	72.2	0	0	113.9
135	E	33.1	Very low	32.4	Very low	194 Å²	194	147.5 Å²	147.5	91%	0.907	78%	0.779	S	S	*	*			trans	-124.9	55.1	172.3	-165.1	156.8	-151.8	0	0	112.4
136	E	29.1	Very low	32.3	Very low	165 Å²	165	145 Å²	145	77%	0.771	77%	0.772	S	S	*	*	S	Bend	trans	-151.4	127.8	152.2	-116.4	-173.5	155.4	0	0	113.8
137	M	27.5	Very low	32.5	Very low	169 Å²	169	145.2 Å²	145.2	83%	0.833	76%	0.764	S	S	*	*			trans	68.7	101.3	150	-50.6	-121.4	179.5	0	0	121.5
138	A	29.6	Very low	32.2	Very low	98 Å²	98	145 Å²	145	81%	0.81	76%	0.756	S	S	*	*			trans	-118.8	161.9	139	0	0	0	0	0	107
139	P	45.8	Very low	32.3	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	75%	0.747	S	S	*	*			cis	-132.4	-179.5	45.9	35.7	-13.8	0	0	0	113.1
140	L	28.7	Very low	32.2	Very low	170 Å²	170	140.5 Å²	140.5	89%	0.89	74%	0.743	S	S	*	*				-157.1	164.3	55.6	-67.7	161.3	0	0	0	109.6
141	G	29.3	Very low	32.1	Very low	65 Å²	65	145.5 Å²	145.5	67%	0.67	75%	0.753	S	S	*	*			cis	150	73.1	-2.6	0	0	0	0	0	113.8
142	T	31.4	Very low	32.1	Very low	153 Å²	153	144.3 Å²	144.3	94%	0.939	75%	0.748	S	S	*	*			trans	-160.4	153.2	165.5	7.3	0	0	0	0	111.1
143	T	37.5	Very low	32	Very low	113 Å²	113	146.1 Å²	146.1	69%	0.693	75%	0.753	S	S	*	*			trans	-105.2	159.2	-162.8	51	0	0	0	0	116.1	E145	T143-E145 PolarHBondContact O-N 3.15Å
144	R	28.9	Very low	32.1	Very low	190 Å²	190	147.9 Å²	147.9	72%	0.717	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-12.1	-163.9	-167.8	174.1	179.7	-178.7	1.6	114
145	E	36.7	Very low	32.1	Very low	118 Å²	118	146.3 Å²	146.3	55%	0.551	75%	0.751	S	S	*	*	H	α-helix	trans	-76.9	-29.9	-173.2	-72.9	53.7	-119.8	0	0	112.5	T143 R148	T143-E145 PolarHBondContact O-N 3.15Å; E145-R148 PolarHBondContact O-N 3.18Å
146	S	32	Very low	31.7	Very low	87 Å²	87	146 Å²	146	61%	0.608	75%	0.75	S	S	*	*	H	α-helix	trans	-62.4	-54.9	-177.7	-172.1	0	0	0	0	111.9	R148 S149	S146-R148 PolarHBondContact O-N 3.49Å; S146-S149 PolarHBondContact O-N 2.8Å; S146-S149 VanDerWaalsContact O-N 3.13Å
147	L	33.4	Very low	31.9	Very low	120 Å²	120	143.3 Å²	143.3	63%	0.628	75%	0.747	S	S	*	*	H	α-helix	trans	-57.9	-32.8	178.7	-74.6	164.1	0	0	0	113.3	S149 Q150 W151	L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 3.41Å; L147-Q150 PolarHBondContact O-N 3.42Å; L147-W151 PolarHBondContact O-N 2.88Å
148	R	30.4	Very low	31.8	Very low	154 Å²	154	142.9 Å²	142.9	58%	0.581	74%	0.743	S	S	*	*	H	α-helix	trans	-71	-21.2	-177.6	-164.9	-177.4	-68.4	-114.3	8.2	113.1	E145 S146	E145-R148 PolarHBondContact O-N 3.18Å; S146-R148 PolarHBondContact O-N 3.49Å
149	S	35	Very low	31.7	Very low	86 Å²	86	146.5 Å²	146.5	60%	0.601	74%	0.74	S	S	*	*	H	α-helix	trans	-82.3	-37.5	176.4	-59.1	0	0	0	0	111.7	S146 L147 K152	S146-S149 PolarHBondContact O-N 2.8Å; S146-S149 VanDerWaalsContact O-N 3.13Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 3.41Å; S149-K152 PolarHBondContact O-N 3.22Å
150	Q	31.2	Very low	30.8	Very low	145 Å²	145	148.4 Å²	148.4	68%	0.678	74%	0.744	S	S	*	*	H	α-helix	trans	-69.4	-39.1	-177.5	-152.5	168.1	11	0	0	112.1	L147 K152	L147-Q150 PolarHBondContact O-N 3.42Å; Q150-K152 PolarHBondContact O-N 3.06Å; Q150-K152 VanDerWaalsContact O-N 3.15Å
151	W	31.2	Very low	30.5	Very low	233 Å²	233	147.2 Å²	147.2	88%	0.883	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-6.2	178.7	-107.6	49.9	0	0	0	115.9	L147	L147-W151 PolarHBondContact O-N 2.88Å
152	K	31.4	Very low	30.4	Very low	176 Å²	176	151.4 Å²	151.4	77%	0.765	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-3	-173.5	-84.6	-170.6	171.3	-170.8	0	115.7	S149 Q150	S149-K152 PolarHBondContact O-N 3.22Å; Q150-K152 PolarHBondContact O-N 3.06Å; Q150-K152 VanDerWaalsContact O-N 3.15Å
153	Q	33.8	Very low	30	Very low	184 Å²	184	154.2 Å²	154.2	86%	0.86	75%	0.749	S	S	*	*	S	Bend	trans	-98.4	-11.7	-175	-69.2	-170.6	-19.6	0	0	115
154	E	29.9	Very low	29.3	Very low	180 Å²	180	151.9 Å²	151.9	84%	0.841	75%	0.747	S	S	*	*	S	Bend	trans	-112.8	9	-159.8	-142.8	169.7	-152.9	0	0	116.2
155	I	27.6	Very low	29.1	Very low	157 Å²	157	148 Å²	148	81%	0.805	75%	0.749	S	S	*	*			trans	-134.2	106	175.7	-52.6	-179	0	0	0	112.4
156	Q	24.9	Very low	28.5	Very low	187 Å²	187	150.9 Å²	150.9	87%	0.874	76%	0.763	S	S	*	*			trans	-145.5	132.2	164.2	-83.9	-69.1	1.9	0	0	109.4
157	P	34.1	Very low	28.1	Very low	110 Å²	110	151.8 Å²	151.8	71%	0.714	77%	0.769	S	S	*	*			trans	-115.2	122.2	-175.7	37.1	-27.5	0	0	0	115.5
158	E	25	Very low	27.6	Very low	160 Å²	160	150.2 Å²	150.2	75%	0.748	77%	0.768	S	S	*	*			trans	-139.6	118.7	161.9	-77.3	-147.3	124.1	0	0	110.1
159	K	27.2	Very low	27.4	Very low	173 Å²	173	150.9 Å²	150.9	75%	0.752	78%	0.777	S	S	*	*				92.2	110	83.1	-78	-178.7	-167.7	159.1	0	115.1
160	L	27.3	Very low	26.8	Very low	156 Å²	156	155.5 Å²	155.5	82%	0.817	79%	0.789	S	S	*	*			trans	12.4	132.6	142.9	-64.5	163.9	0	0	0	120.1
161	T	23.4	Very low	26.6	Very low	145 Å²	145	157 Å²	157	89%	0.89	79%	0.789	S	S	*	*				-169.8	168.1	114.3	17.3	0	0	0	0	113.3
162	L	25.8	Very low	26.6	Very low	153 Å²	153	152 Å²	152	80%	0.801	79%	0.786	S	S	*	*			trans	-101.1	145.4	178.2	-64.5	75.7	0	0	0	111.5
163	K	24.6	Very low	26.2	Very low	212 Å²	212	146.8 Å²	146.8	92%	0.922	78%	0.783	S	S	*	*				163.2	149.5	119.2	-91.9	172.4	179	179.6	0	114.1
164	G	22	Very low	25.9	Very low	63 Å²	63	145.2 Å²	145.2	65%	0.649	78%	0.776	S	S	*	*				87.9	88.7	123.8	0	0	0	0	0	121.7
165	S	23.6	Very low	25.6	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	78%	0.777	S	S	*	*				57.7	145.9	119.7	65.2	0	0	0	0	124.1
166	Q	23.9	Very low	25.6	Very low	178 Å²	178	142.8 Å²	142.8	83%	0.832	77%	0.772	S	S	*	*			trans	77.3	113.3	166	-59.1	-176.3	-3.7	0	0	115.3
167	S	24	Very low	25.6	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	77%	0.771	S	S	*	*				84	147.5	82.4	93.6	0	0	0	0	112.7
168	S	24	Very low	25.2	Very low	86 Å²	86	141.4 Å²	141.4	60%	0.601	77%	0.771	S	S	*	*			cis	-162.4	174.5	23.8	55	0	0	0	0	112.8
169	H	25	Very low	25.2	Very low	168 Å²	168	144 Å²	144	78%	0.778	77%	0.774	S	S	*	*			trans	67.2	153.2	166.3	-62.5	-58.7	0	0	0	117.8
170	Q	23.8	Very low	25	Very low	183 Å²	183	144.3 Å²	144.3	86%	0.855	78%	0.775	S	S	*	*			cis	-142.6	160.3	8.1	-140	160.4	26	0	0	111.8
171	R	25.5	Very low	24.9	Very low	176 Å²	176	140.9 Å²	140.9	66%	0.664	77%	0.769	S	S	*	*			trans	-140.5	145.2	175.9	-162.1	-144.6	-73.8	-178.7	-4.3	109.6	E174	R171-E174 IonicContact CZ-OE1 3.44Å; R171-E174 IonicContact NH1-OE1 2.88Å; R171-E174 PolarHBondContact NH1-OE1 3.45Å; R171-E174 IonicContact NH1-OE2 3.5Å; R171-E174 PolarHBondContact NH1-OE2 2.94Å; R171-E174 IonicContact NH2-OE1 3.18Å
172	P	32.3	Very low	25.9	Very low	128 Å²	128	139.2 Å²	139.2	83%	0.831	76%	0.761	S	S	*	*			trans	-134.3	160.6	130.6	37.4	-27.6	0	0	0	111.6
173	G	23.5	Very low	25.8	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	76%	0.764	S	S	*	*			cis	-162.3	165.6	-4.1	0	0	0	0	0	110.1
174	E	27.1	Very low	26	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	75%	0.753	S	S	*	*			trans	-122.7	147.2	-171.9	-67.1	163.2	144.2	0	0	112.4	R171	R171-E174 IonicContact CZ-OE1 3.44Å; R171-E174 IonicContact NH1-OE1 2.88Å; R171-E174 PolarHBondContact NH1-OE1 3.45Å; R171-E174 IonicContact NH1-OE2 3.5Å; R171-E174 PolarHBondContact NH1-OE2 2.94Å; R171-E174 IonicContact NH2-OE1 3.18Å
175	Q	24.2	Very low	26.4	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	76%	0.761	S	S	*	*			trans	-144.6	113.3	141.8	-67.1	-166.1	-20.6	0	0	105.6
176	S	26.6	Very low	26.6	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	77%	0.766	S	S	*	*				70	131.1	64.9	76.8	0	0	0	0	111.6
177	E	25	Very low	26.7	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	77%	0.769	S	S	*	*			cis	-143.3	140.9	23.1	-69.3	-174	123	0	0	110.9
178	A	26.6	Very low	26.8	Very low	85 Å²	85	144.1 Å²	144.1	70%	0.702	77%	0.767	S	S	*	*				81.6	144	90.7	0	0	0	0	0	116.1
179	W	23.5	Very low	27.2	Very low	215 Å²	215	146 Å²	146	81%	0.814	78%	0.777	S	S	*	*			cis	-160.7	-173.7	-6.2	-130	60	0	0	0	110.9
180	F	23.1	Very low	27.4	Very low	179 Å²	179	146.2 Å²	146.2	79%	0.785	78%	0.778	S	S	*	*			trans	81.5	123.4	166.7	-67.7	-75.7	0	0	0	122
181	A	26	Very low	27.4	Very low	84 Å²	84	145 Å²	145	69%	0.694	78%	0.778	S	S	*	*			trans	-120.9	-168.8	144.4	0	0	0	0	0	106.1
182	P	44	Very low	27.4	Very low	110 Å²	110	142.5 Å²	142.5	71%	0.714	78%	0.782	S	S	*	*			cis	-139.9	-155.4	-0.1	36.8	-13.2	0	0	0	114.1
183	Q	23.1	Very low	26.9	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	78%	0.779	S	S	*	*			trans	107.5	149.5	155.1	-53.5	-158.6	45.3	0	0	119
184	A	29.2	Very low	26.9	Very low	83 Å²	83	145.5 Å²	145.5	69%	0.686	79%	0.791	S	S	*	*			trans	-102.9	179.3	171.4	0	0	0	0	0	110
185	P	31.3	Very low	26.8	Very low	128 Å²	128	145.9 Å²	145.9	83%	0.831	79%	0.793	S	S	*	*				-136.5	170	120.8	38	-29.2	0	0	0	114.6
186	R	27.1	Very low	26.9	Very low	230 Å²	230	143 Å²	143	87%	0.868	78%	0.784	S	S	*	*			trans	-76.1	159.7	168.8	-53.6	171.1	-178.9	177.6	-0.9	109.9
187	N	24.9	Very low	26.9	Very low	167 Å²	167	145.2 Å²	145.2	89%	0.893	78%	0.783	S	S	*	*				-163.9	157.2	116.4	-100.5	-29.1	0	0	0	113.8
188	L	27.1	Very low	26.9	Very low	133 Å²	133	143.3 Å²	143.3	70%	0.696	77%	0.774	S	S	*	*			trans	-120.8	156.8	170.9	-119.7	166.3	0	0	0	106	Q190	L188-Q190 HydrophobicContact CD2-CG 4.1Å
189	P	31.5	Very low	26.8	Very low	126 Å²	126	146 Å²	146	82%	0.818	78%	0.782	S	S	*	*				-144.5	165.5	92.7	37.6	-22.4	0	0	0	114.8
190	Q	29.1	Very low	26.8	Very low	172 Å²	172	139.1 Å²	139.1	80%	0.804	78%	0.777	S	S	*	*			trans	-94	145.7	161.2	-59.9	163.2	-70.3	0	0	108.5	L188	L188-Q190 HydrophobicContact CD2-CG 4.1Å
191	N	24.2	Very low	26.8	Very low	159 Å²	159	135.6 Å²	135.6	85%	0.85	78%	0.781	S	S	*	*			trans	-155.5	177.8	137.1	-139.6	-14.8	0	0	0	112.5
192	T	26.1	Very low	26.8	Very low	123 Å²	123	137.1 Å²	137.1	76%	0.755	78%	0.782	S	S	*	*			trans	-105.1	146.1	-159.9	51.1	0	0	0	0	115.9
193	G	22.4	Very low	25.8	Very low	73 Å²	73	137.2 Å²	137.2	75%	0.753	78%	0.78	S	S	*	*			trans	37.4	133.3	142.3	0	0	0	0	0	122.8
194	L	23.5	Very low	25.8	Very low	185 Å²	185	139.3 Å²	139.3	97%	0.969	78%	0.78	S	S	*	*			trans	-154.7	-174.4	140.6	-115.1	169.1	0	0	0	111.1
195	H	25	Very low	25.5	Very low	158 Å²	158	141.5 Å²	141.5	73%	0.731	79%	0.785	S	S	*	*			trans	-118.4	160.1	-155.9	-152.4	-109.3	0	0	0	113.3
196	D	25.3	Very low	25.3	Very low	127 Å²	127	140 Å²	140	68%	0.679	78%	0.784	S	S	*	*			trans	77.6	150.5	152.5	-97.7	-34.3	0	0	0	125.7
197	Q	25.7	Very low	25	Very low	146 Å²	146	132.8 Å²	132.8	68%	0.682	78%	0.781	S	S	*	*			trans	73	111	147.8	-74.9	-175.9	-47.7	0	0	124.9
198	E	25.5	Very low	25.1	Very low	143 Å²	143	129.6 Å²	129.6	67%	0.668	77%	0.772	S	S	*	*				78.4	116.3	118.2	-74.6	176.8	-151.4	0	0	124.6
199	T	24.9	Very low	25	Very low	141 Å²	141	132.9 Å²	132.9	87%	0.865	78%	0.784	S	S	*	*			trans	69.3	167.4	141.1	69.9	0	0	0	0	119.4
200	G	23.1	Very low	24.6	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	78%	0.778	S	S	*	*			trans	124	70.8	176.8	0	0	0	0	0	114.6
201	A	23.6	Very low	24.9	Very low	105 Å²	105	128 Å²	128	87%	0.868	78%	0.779	S	S	*	*			trans	-77.2	126.9	168.4	0	0	0	0	0	110.3
202	V	25.6	Very low	24.9	Very low	116 Å²	116	125.4 Å²	125.4	70%	0.703	78%	0.78	S	S	*	*			trans	-127.4	110.8	169	-172.4	0	0	0	0	109.5
203	V	22.8	Very low	24.8	Very low	113 Å²	113	125.3 Å²	125.3	69%	0.685	78%	0.779	S	S	*	*			trans	-80.6	128.7	173.7	174.7	0	0	0	0	109.2	T205	V203-T205 HydrophobicContact CG1-CG2 3.96Å
204	W	24.5	Very low	24.7	Very low	227 Å²	227	126.8 Å²	126.8	86%	0.86	78%	0.777	S	S	*	*			trans	-123	86.1	163.2	-81.9	90.8	0	0	0	110.1
205	T	23.4	Very low	24.7	Very low	129 Å²	129	124.8 Å²	124.8	79%	0.791	77%	0.767	S	S	*	*			trans	-94.9	103.6	164.3	47.7	0	0	0	0	109.1	V203	V203-T205 HydrophobicContact CG1-CG2 3.96Å
206	A	26.1	Very low	24.7	Very low	98 Å²	98	123.9 Å²	123.9	81%	0.81	77%	0.768	S	S	*	*			trans	-129.4	127.5	163.1	0	0	0	0	0	107.8
207	G	21.9	Very low	24.7	Very low	78 Å²	78	129.7 Å²	129.7	80%	0.804	78%	0.78	S	S	*	*			trans	-163.9	148.2	-178.8	0	0	0	0	0	111.6
208	S	25.4	Very low	24.5	Very low	100 Å²	100	127 Å²	127	70%	0.699	78%	0.782	S	S	*	*			trans	-161.8	122.6	176	51.5	0	0	0	0	109.9
209	Q	24.6	Very low	24.4	Very low	201 Å²	201	125.8 Å²	125.8	94%	0.939	79%	0.785	S	S	*	*			trans	57	147.2	135.5	-54.6	164.7	19.7	0	0	118.5
210	G	23.5	Very low	24.3	Very low	68 Å²	68	124.1 Å²	124.1	70%	0.701	78%	0.779	S	S	*	*			cis	-164.6	-174.8	4.9	0	0	0	0	0	111.1
211	P	36.5	Very low	24.4	Very low	128 Å²	128	128.1 Å²	128.1	83%	0.831	78%	0.783	S	S	*	*			trans	-107.7	166.1	-155.9	39.6	-35.6	0	0	0	116.2
212	A	24.2	Very low	24.4	Very low	104 Å²	104	127.9 Å²	127.9	86%	0.86	77%	0.774	S	S	*	*			trans	-145.5	144.8	154.8	0	0	0	0	0	109.5
213	T	22.7	Very low	24.2	Very low	122 Å²	122	130.7 Å²	130.7	75%	0.748	78%	0.779	S	S	*	*			trans	-133	147.2	-164.7	47.5	0	0	0	0	114.3
214	C	22	Very low	24.3	Very low	104 Å²	104	134.4 Å²	134.4	70%	0.703	79%	0.789	S	S	*	*			trans	35.6	122.2	140.9	-48	0	0	0	0	120.9
215	D	22.5	Very low	24.2	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	78%	0.784	S	S	*	*				170.4	151	94.2	-90.5	-29.3	0	0	0	109.9
216	N	24.8	Very low	24.3	Very low	140 Å²	140	135.5 Å²	135.5	75%	0.749	79%	0.786	S	S	*	*			cis	91	134.7	31.9	-79	-41.5	0	0	0	116.5
217	R	25.2	Very low	24.2	Very low	249 Å²	249	138.3 Å²	138.3	94%	0.94	78%	0.784	S	S	*	*			trans	97.2	149.8	174.1	-63.5	176.1	142.4	148.8	-7	115.9
218	A	22.7	Very low	24.3	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	78%	0.781	S	S	*	*			cis	-142.2	-174.1	1.8	0	0	0	0	0	110.5
219	V	23.2	Very low	24.3	Very low	119 Å²	119	139.9 Å²	139.9	72%	0.721	78%	0.779	S	S	*	*			cis	-145.7	150.5	1.5	126.3	0	0	0	0	106.4
220	S	23.1	Very low	24.5	Very low	106 Å²	106	132.6 Å²	132.6	74%	0.741	76%	0.758	S	S	*	*			cis	106.1	42.9	-6.6	93.9	0	0	0	0	122.1
221	L	23.7	Very low	24.9	Very low	154 Å²	154	135.5 Å²	135.5	81%	0.806	76%	0.764	S	S	*	*			trans	-150.9	151.3	166.1	-82.8	171.1	0	0	0	110.8
222	C	23.7	Very low	24.6	Very low	100 Å²	100	133.5 Å²	133.5	68%	0.676	76%	0.759	S	S	*	*			cis	-158.5	118.1	-25	-141	0	0	0	0	105
223	Q	22.6	Very low	25	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	75%	0.754	S	S	*	*				67.5	111.7	67.4	-172.9	172.9	-12	0	0	114.5
224	Q	23.8	Very low	25.3	Very low	191 Å²	191	140 Å²	140	89%	0.893	75%	0.752	S	S	*	*			trans	-142.1	162.6	154.8	-102.9	-179.6	3.5	0	0	109.6
225	E	23.4	Very low	25.8	Very low	160 Å²	160	139 Å²	139	75%	0.748	75%	0.751	S	S	*	*			trans	-80.2	168.8	-160	-64.2	160.5	139.2	0	0	111.9
226	W	24.3	Very low	26.2	Very low	219 Å²	219	138.8 Å²	138.8	83%	0.83	75%	0.749	S	S	*	*				-153.8	173.2	55.6	-92.8	68.9	0	0	0	114.6
227	M	24.1	Very low	26.3	Very low	158 Å²	158	142 Å²	142	78%	0.778	75%	0.752	S	S	*	*			trans	-32.4	149.5	-174.7	-59.7	164.9	75.2	0	0	119.3
228	C	25	Very low	26.4	Very low	108 Å²	108	141.6 Å²	141.6	73%	0.73	75%	0.751	S	S	*	*			trans	-87.1	152.8	176.5	-73.1	0	0	0	0	114.1
229	P	25.6	Very low	26.9	Very low	103 Å²	103	140.1 Å²	140.1	67%	0.669	74%	0.743	S	S	*	*			trans	-129.3	117.1	139.4	34.7	-24.4	0	0	0	113.2
230	G	28.5	Very low	27.2	Very low	48 Å²	48	137.2 Å²	137.2	50%	0.495	73%	0.732	S	S	.	*			trans	68.8	131.3	155.6	0	0	0	0	0	119.1	A232 R233	G230-A232 PolarHBondContact O-N 3.15Å; G230-A232 VanDerWaalsContact O-N 3.1Å; G230-R233 PolarHBondContact O-N 3.11Å
231	P	31.3	Very low	27.5	Very low	129 Å²	129	138.4 Å²	138.4	84%	0.838	74%	0.735	S	S	*	*	H	α-helix	trans	-55.6	-28.7	172.9	-27.3	36	0	0	0	114.7	R233	P231-R233 VanDerWaalsContact C-N 3.33Å; P231-R233 PolarHBondContact O-N 2.82Å
232	A	31.1	Very low	28	Very low	86 Å²	86	140.2 Å²	140.2	71%	0.711	74%	0.74	S	S	*	*	H	α-helix	trans	-63.2	-26.7	-174.5	0	0	0	0	0	115.4	G230	G230-A232 PolarHBondContact O-N 3.15Å; G230-A232 VanDerWaalsContact O-N 3.1Å
233	R	31.6	Very low	28.4	Very low	200 Å²	200	146.6 Å²	146.6	76%	0.755	75%	0.749	S	S	*	*	H	α-helix	trans	-90.6	-23.6	-177.4	-84.3	-174	169.6	-174	-2.7	115	G230 P231 A235 L236	G230-R233 PolarHBondContact O-N 3.11Å; P231-R233 VanDerWaalsContact C-N 3.33Å; P231-R233 PolarHBondContact O-N 2.82Å; R233-A235 PolarHBondContact O-N 2.88Å; R233-L236 PolarHBondContact O-N 2.97Å
234	K	29.5	Very low	28.9	Very low	162 Å²	162	146.2 Å²	146.2	70%	0.704	75%	0.745	S	S	*	*	H	α-helix	trans	-69.3	-18.4	178.9	-81.1	-179.6	177	171.8	0	113.7	L236	K234-L236 PolarHBondContact O-N 3.45Å
235	A	32	Very low	29.2	Very low	83 Å²	83	141.5 Å²	141.5	69%	0.686	73%	0.726	S	S	*	*	H	α-helix	trans	-67.8	-28.4	176.9	0	0	0	0	0	114.2	R233	R233-A235 PolarHBondContact O-N 2.88Å
236	L	30.9	Very low	29.5	Very low	137 Å²	137	145 Å²	145	72%	0.717	73%	0.732	S	S	*	*	H	α-helix	trans	-83.4	-34.8	-172.2	-75.8	166.1	0	0	0	113.9	R233 K234	R233-L236 PolarHBondContact O-N 2.97Å; K234-L236 PolarHBondContact O-N 3.45Å
237	Y	26.7	Very low	29.9	Very low	207 Å²	207	143.1 Å²	143.1	81%	0.812	73%	0.732	S	S	*	*	H	α-helix	trans	-92.2	-23.3	-169.5	-107.9	-94.1	0	0	0	116
238	R	27.4	Very low	30.2	Very low	242 Å²	242	137.2 Å²	137.2	91%	0.913	70%	0.704	S	S	*	*	S	Bend	trans	-93.4	4.9	179.5	-145.8	179.5	-80.2	-149.7	-2.2	114.2
239	G	33	Very low	30.5	Very low	56 Å²	56	137.5 Å²	137.5	58%	0.577	71%	0.707	S	S	*	*	S	Bend	trans	-101.1	-9.2	176.1	0	0	0	0	0	115.6
240	A	29	Very low	30.9	Very low	59 Å²	59	135.2 Å²	135.2	49%	0.488	69%	0.689	S	S	.	*	S	Bend	trans	-85.5	-32.7	-162.4	0	0	0	0	0	115.6
241	T	31.3	Very low	31.2	Very low	131 Å²	131	136.4 Å²	136.4	80%	0.804	69%	0.694	S	S	*	*	S	Bend	trans	-100.9	1.4	-157.6	43	0	0	0	0	117.1
242	Q	34.1	Very low	31.5	Very low	192 Å²	192	132.2 Å²	132.2	90%	0.897	67%	0.666	S	S	*	*	S	Bend	trans	-134.1	6.2	175.8	-79.6	-165.8	-12.1	0	0	115.7
243	R	30.8	Very low	31.7	Very low	233 Å²	233	132.3 Å²	132.3	88%	0.879	68%	0.676	S	S	*	*	S	Bend	trans	-134.2	37.2	-172.1	-86	-170.2	175.4	170.2	1.8	116.6
244	K	32.9	Very low	31.9	Very low	167 Å²	167	127 Å²	127	73%	0.726	67%	0.665	S	S	*	*	S	Bend	trans	-122.6	-20.6	170.1	-73.4	-170.3	173.3	-177.2	0	116.7	R246	K244-R246 VanDerWaalsContact C-N 3.26Å; K244-R246 PolarHBondContact O-N 3.36Å
245	N	30.2	Very low	32.4	Very low	92 Å²	92	124.7 Å²	124.7	49%	0.492	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.6	50.5	-177.5	-66	1.2	0	0	0	114.1	Y258	N245-Y258 HydrophobicContact CB-CE2 4.22Å; N245-Y258 WeakPolarHBondContact ND2-CE2 3.49Å; N245-Y258 PolarHBondContact ND2-OH 3.02Å; N245-Y258 VanDerWaalsContact ND2-OH 3.09Å
246	R	30.8	Very low	33.2	Very low	232 Å²	232	122 Å²	122	88%	0.875	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	17.5	169.6	-76.7	-161.7	175.5	-165.6	-2.1	114.2	K244	K244-R246 VanDerWaalsContact C-N 3.26Å; K244-R246 PolarHBondContact O-N 3.36Å
247	H	31	Very low	34.2	Very low	180 Å²	180	117 Å²	117	83%	0.833	62%	0.62	S	S	*	*			trans	-122.8	26.2	-174.2	-97.9	-69.1	0	0	0	115.7
248	I	32.3	Very low	35.1	Very low	34 Å²	34	113.8 Å²	113.8	17%	0.174	61%	0.608	C	S	.	*			trans	-119.8	75.8	161.4	-58.4	175.8	0	0	0	108.4	L250 T261 L264 L265	I248-L250 HydrophobicContact CG2-CD1 4.33Å; I248-L250 HydrophobicContact CG2-CG 4.17Å; I248-T261 HydrophobicContact CB-CG2 4.04Å; I248-T261 HydrophobicContact CD1-CG2 3.8Å; I248-T261 HydrophobicContact CG1-CG2 4.25Å; I248-L264 HydrophobicContact CD1-CD2 3.78Å; I248-L265 HydrophobicContact CD1-CD1 4.1Å; I248-L265 HydrophobicContact CD1-CD2 4.03Å; I248-L265 HydrophobicContact CD1-CG 3.71Å
249	S	29.9	Very low	36.1	Very low	114 Å²	114	106 Å²	106	80%	0.797	58%	0.581	S	S	*	*			trans	-106.7	78.7	157.3	-59.3	0	0	0	0	106.9	A251	S249-A251 PolarHBondContact O-N 3.2Å
250	L	35	Very low	37.1	Very low	56 Å²	56	104.3 Å²	104.3	29%	0.293	56%	0.559	S	S	.	*			trans	-59.9	135.3	171.6	-78.8	170.6	0	0	0	108.8	I248 T252 L264	I248-L250 HydrophobicContact CG2-CD1 4.33Å; I248-L250 HydrophobicContact CG2-CG 4.17Å; L250-T252 VanDerWaalsContact C-N 3.26Å; L250-T252 PolarHBondContact O-N 2.92Å; L250-L264 HydrophobicContact CD1-CD1 4.39Å
251	A	35.3	Very low	38.3	Very low	72 Å²	72	102.3 Å²	102.3	60%	0.595	54%	0.541	S	S	*	.	S	Bend	trans	-81.1	72.4	-165.9	0	0	0	0	0	112.5	S249 K319	S249-A251 PolarHBondContact O-N 3.2Å; A251-K319 PolarHBondContact O-NZ 3.21Å
252	T	36.5	Very low	39.2	Very low	41 Å²	41	101 Å²	101	25%	0.252	52%	0.524	S	S	.	.	S	Bend	trans	-144	146.2	169.3	41.8	0	0	0	0	107.9	L250 V254 S312 L315	L250-T252 VanDerWaalsContact C-N 3.26Å; L250-T252 PolarHBondContact O-N 2.92Å; T252-V254 PolarHBondContact O-N 2.91Å; T252-S312 PolarHBondContact OG1-OG 3.29Å; T252-L315 HydrophobicContact CG2-CD1 3.97Å
253	G	34.4	Very low	40.2	Very low	89 Å²	89	92.3 Å²	92.3	92%	0.918	48%	0.484	S	S	*	.	S	Bend	trans	-70	10.9	-169.4	0	0	0	0	0	117.4
254	V	37.2	Very low	41.3	Very low	88 Å²	88	82.3 Å²	82.3	53%	0.533	45%	0.448	S	S	.	.	S	Bend	trans	-116.9	120.2	-179.6	-176.7	0	0	0	0	108.3	T252	T252-V254 PolarHBondContact O-N 2.91Å
255	P	40.3	Very low	42.1	Very low	113 Å²	113	78 Å²	78	73%	0.734	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-59.3	138.7	176.9	-24.2	34.5	0	0	0	112.1
256	W	48.3	Very low	43.3	Very low	26 Å²	26	75.9 Å²	75.9	10%	0.098	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-84.9	136.3	164.4	-78.2	60.2	0	0	0	109.1	E260 L294 K309 S312 L313	W256-E260 WeakPolarHBondContact CA-OE2 3.41Å; W256-E260 WeakPolarHBondContact CB-OE2 3.31Å; W256-E260 HydrophobicContact CE3-CB 3.8Å; W256-E260 HydrophobicContact CZ3-CB 4.38Å; W256-L294 HydrophobicContact CH2-CD1 4.05Å; W256-L294 HydrophobicContact CZ3-CD1 3.93Å; W256-K309 HydrophobicContact CH2-CD 4.24Å; W256-K309 HydrophobicContact CZ2-CD 3.89Å; W256-S312 PolarHBondContact NE1-OG 2.83Å; W256-L313 HydrophobicContact CH2-CD1 3.58Å; W256-L313 HydrophobicContact CZ2-CD1 3.88Å
257	G	50.9	Low	44.3	Very low	32 Å²	32	65.7 Å²	65.7	33%	0.33	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-66.2	161.7	-178.1	0	0	0	0	0	112.5	E259 E260 T261	G257-E259 PolarHBondContact O-N 2.8Å; G257-E260 PolarHBondContact N-OE2 3.31Å; G257-E260 PolarHBondContact O-N 3.07Å; G257-T261 WeakPolarHBondContact O-CB 3.46Å; G257-T261 PolarHBondContact O-N 3.32Å; G257-T261 PolarHBondContact O-OG1 3.4Å
258	Y	45.9	Very low	45.2	Very low	140 Å²	140	61.3 Å²	61.3	55%	0.549	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-41.7	180	-179.4	-100.4	0	0	0	112.5	N245 T261 K262	N245-Y258 HydrophobicContact CB-CE2 4.22Å; N245-Y258 WeakPolarHBondContact ND2-CE2 3.49Å; N245-Y258 PolarHBondContact ND2-OH 3.02Å; N245-Y258 VanDerWaalsContact ND2-OH 3.09Å; Y258-T261 WeakPolarHBondContact O-CB 3.26Å; Y258-T261 PolarHBondContact O-N 3.48Å; Y258-K262 HydrophobicContact CE1-CD 4.24Å; Y258-K262 WeakPolarHBondContact O-CB 3.39Å; Y258-K262 PolarHBondContact O-N 3.25Å
259	E	48.8	Very low	46	Very low	78 Å²	78	64 Å²	64	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-75.7	-30.3	178.8	-67.7	-61.8	129.5	0	0	112.8	G257 K262 T263 F299	G257-E259 PolarHBondContact O-N 2.8Å; E259-K262 PolarHBondContact O-N 2.96Å; E259-K262 VanDerWaalsContact OE1-CD 3.3Å; E259-K262 WeakPolarHBondContact OE1-CD 3.41Å; E259-K262 IonicContact OE1-NZ 2.75Å; E259-K262 PolarHBondContact OE1-NZ 3.21Å; E259-K262 WeakPolarHBondContact OE2-CD 3.4Å; E259-K262 WeakPolarHBondContact OE2-CE 3.44Å; E259-K262 IonicContact OE2-NZ 2.65Å; E259-K262 PolarHBondContact OE2-NZ 3.24Å; E259-T263 WeakPolarHBondContact O-CB 3.42Å; E259-T263 PolarHBondContact O-N 3.37Å; E259-T263 PolarHBondContact O-OG1 3.13Å; E259-F299 HydrophobicContact CB-CE1 4.39Å; E259-F299 HydrophobicContact CB-CZ 4.19Å
260	E	54.8	Low	46.8	Very low	22 Å²	22	63.5 Å²	63.5	10%	0.103	39%	0.391	C	S	.	.	H	α-helix	trans	-65.5	-47.6	170.3	-48.1	176.7	161.3	0	0	110.5	W256 G257 K262 T263 L264 F299 K309	W256-E260 WeakPolarHBondContact CA-OE2 3.41Å; W256-E260 WeakPolarHBondContact CB-OE2 3.31Å; W256-E260 HydrophobicContact CE3-CB 3.8Å; W256-E260 HydrophobicContact CZ3-CB 4.38Å; G257-E260 PolarHBondContact N-OE2 3.31Å; G257-E260 PolarHBondContact O-N 3.07Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.31Å; E260-T263 PolarHBondContact O-N 3.42Å; E260-L264 WeakPolarHBondContact O-CB 3.25Å; E260-L264 PolarHBondContact O-N 2.99Å; E260-F299 HydrophobicContact CG-CD1 4.4Å; E260-K309 IonicContact OE1-NZ 2.61Å; E260-K309 PolarHBondContact OE1-NZ 3.38Å; E260-K309 IonicContact OE2-NZ 3.63Å; E260-K309 PolarHBondContact OE2-NZ 3.47Å
261	T	52.4	Low	47.4	Very low	17 Å²	17	62.5 Å²	62.5	10%	0.104	39%	0.388	C	S	.	.	H	α-helix	trans	-54.8	-45.1	174.1	-72.3	0	0	0	0	111.5	I248 G257 Y258 L265	I248-T261 HydrophobicContact CB-CG2 4.04Å; I248-T261 HydrophobicContact CD1-CG2 3.8Å; I248-T261 HydrophobicContact CG1-CG2 4.25Å; G257-T261 WeakPolarHBondContact O-CB 3.46Å; G257-T261 PolarHBondContact O-N 3.32Å; G257-T261 PolarHBondContact O-OG1 3.4Å; Y258-T261 WeakPolarHBondContact O-CB 3.26Å; Y258-T261 PolarHBondContact O-N 3.48Å; T261-L265 HydrophobicContact CG2-CD1 4.43Å; T261-L265 WeakPolarHBondContact O-CG 3.5Å; T261-L265 PolarHBondContact O-N 3.48Å
262	K	50.7	Low	48	Very low	104 Å²	104	68.1 Å²	68.1	45%	0.452	40%	0.402	S	S	.	.	H	α-helix	trans	-70.5	-37.1	178.1	178.4	-178.7	162.7	-151.1	0	112.3	Y258 E259 E260 L265 A266	Y258-K262 HydrophobicContact CE1-CD 4.24Å; Y258-K262 WeakPolarHBondContact O-CB 3.39Å; Y258-K262 PolarHBondContact O-N 3.25Å; E259-K262 PolarHBondContact O-N 2.96Å; E259-K262 VanDerWaalsContact OE1-CD 3.3Å; E259-K262 WeakPolarHBondContact OE1-CD 3.41Å; E259-K262 IonicContact OE1-NZ 2.75Å; E259-K262 PolarHBondContact OE1-NZ 3.21Å; E259-K262 WeakPolarHBondContact OE2-CD 3.4Å; E259-K262 WeakPolarHBondContact OE2-CE 3.44Å; E259-K262 IonicContact OE2-NZ 2.65Å; E259-K262 PolarHBondContact OE2-NZ 3.24Å; E260-K262 VanDerWaalsContact C-N 3.31Å; E260-K262 PolarHBondContact O-N 3.31Å; K262-L265 PolarHBondContact O-N 3.23Å; K262-A266 WeakPolarHBondContact O-CB 3.29Å; K262-A266 PolarHBondContact O-N 2.86Å
263	T	55.6	Low	48.5	Very low	9 Å²	9	70.2 Å²	70.2	6%	0.055	41%	0.408	C	S	.	.	H	α-helix	trans	-67	-42.7	174	-60.6	0	0	0	0	111.2	E259 E260 L265 A266 I267 R297	E259-T263 WeakPolarHBondContact O-CB 3.42Å; E259-T263 PolarHBondContact O-N 3.37Å; E259-T263 PolarHBondContact O-OG1 3.13Å; E260-T263 PolarHBondContact O-N 3.42Å; T263-L265 VanDerWaalsContact C-N 3.35Å; T263-L265 PolarHBondContact O-N 3.08Å; T263-A266 WeakPolarHBondContact O-CB 3.33Å; T263-A266 PolarHBondContact O-N 2.91Å; T263-A266 VanDerWaalsContact O-N 3.13Å; T263-I267 HydrophobicContact CG2-CD1 4.05Å; T263-I267 WeakPolarHBondContact O-CG1 3.5Å; T263-I267 PolarHBondContact O-N 3.4Å; T263-R297 PolarHBondContact OG1-NH1 3.37Å
264	L	53.3	Low	48.6	Very low	23 Å²	23	77.4 Å²	77.4	12%	0.12	41%	0.409	C	S	.	.	H	α-helix	trans	-60.7	-42.9	173.8	-170.9	153.7	0	0	0	111.5	I248 L250 E260 A266 L268 M290	I248-L264 HydrophobicContact CD1-CD2 3.78Å; L250-L264 HydrophobicContact CD1-CD1 4.39Å; E260-L264 WeakPolarHBondContact O-CB 3.25Å; E260-L264 PolarHBondContact O-N 2.99Å; L264-A266 VanDerWaalsContact C-N 3.35Å; L264-L268 HydrophobicContact CD2-CD1 3.58Å; L264-L268 HydrophobicContact CD2-CG 4.36Å; L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 3.2Å; L264-L268 VanDerWaalsContact O-N 3.12Å; L264-M290 HydrophobicContact CB-SD 4.21Å; L264-M290 HydrophobicContact CD1-CE 4.38Å; L264-M290 HydrophobicContact CD1-SD 3.73Å; L264-M290 HydrophobicContact CG-SD 3.77Å
265	L	51.4	Low	48.8	Very low	76 Å²	76	76 Å²	76	40%	0.398	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-35.4	173.5	-71.9	168.6	0	0	0	112.8	I248 T261 K262 T263 S269	I248-L265 HydrophobicContact CD1-CD1 4.1Å; I248-L265 HydrophobicContact CD1-CD2 4.03Å; I248-L265 HydrophobicContact CD1-CG 3.71Å; T261-L265 HydrophobicContact CG2-CD1 4.43Å; T261-L265 WeakPolarHBondContact O-CG 3.5Å; T261-L265 PolarHBondContact O-N 3.48Å; K262-L265 PolarHBondContact O-N 3.23Å; T263-L265 VanDerWaalsContact C-N 3.35Å; T263-L265 PolarHBondContact O-N 3.08Å; L265-S269 WeakPolarHBondContact O-CB 3.24Å; L265-S269 PolarHBondContact O-N 3.05Å; L265-S269 PolarHBondContact O-OG 3.21Å; L265-S269 VanDerWaalsContact O-OG 3.08Å
266	A	54	Low	48.9	Very low	47 Å²	47	78.6 Å²	78.6	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-50.9	175.2	0	0	0	0	0	111.2	K262 T263 L264 L268 S269 S270	K262-A266 WeakPolarHBondContact O-CB 3.29Å; K262-A266 PolarHBondContact O-N 2.86Å; T263-A266 WeakPolarHBondContact O-CB 3.33Å; T263-A266 PolarHBondContact O-N 2.91Å; T263-A266 VanDerWaalsContact O-N 3.13Å; L264-A266 VanDerWaalsContact C-N 3.35Å; A266-L268 VanDerWaalsContact C-N 3.29Å; A266-L268 PolarHBondContact O-N 3.03Å; A266-S269 CarbonylContact O-C 3.59Å; A266-S269 WeakPolarHBondContact O-CA 3.37Å; A266-S269 PolarHBondContact O-N 2.6Å; A266-S269 PolarHBondContact O-OG 3.49Å; A266-S270 PolarHBondContact O-N 3.31Å; A266-S270 PolarHBondContact O-OG 2.87Å
267	I	52.7	Low	48.7	Very low	19 Å²	19	81 Å²	81	10%	0.097	43%	0.427	C	S	.	.	H	α-helix	trans	-57.9	-40.8	178.2	-65.8	164.6	0	0	0	111.4	T263 S269 S271 I286 M290	T263-I267 HydrophobicContact CG2-CD1 4.05Å; T263-I267 WeakPolarHBondContact O-CG1 3.5Å; T263-I267 PolarHBondContact O-N 3.4Å; I267-S269 PolarHBondContact O-N 2.8Å; I267-S271 WeakPolarHBondContact O-CB 3.22Å; I267-S271 PolarHBondContact O-OG 3.28Å; I267-I286 HydrophobicContact CG2-CG2 4.38Å; I267-M290 HydrophobicContact CD1-CB 3.93Å; I267-M290 HydrophobicContact CD1-CG 3.85Å
268	L	48.9	Very low	48.7	Very low	87 Å²	87	86.6 Å²	86.6	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-74.2	1.6	175.4	-67	178.9	0	0	0	114.7	L264 A266	L264-L268 HydrophobicContact CD2-CD1 3.58Å; L264-L268 HydrophobicContact CD2-CG 4.36Å; L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 3.2Å; L264-L268 VanDerWaalsContact O-N 3.12Å; A266-L268 VanDerWaalsContact C-N 3.29Å; A266-L268 PolarHBondContact O-N 3.03Å
269	S	48.7	Very low	49.1	Very low	91 Å²	91	83 Å²	83	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-126.8	-28.4	-177.8	70.5	0	0	0	0	114.8	L265 A266 I267	L265-S269 WeakPolarHBondContact O-CB 3.24Å; L265-S269 PolarHBondContact O-N 3.05Å; L265-S269 PolarHBondContact O-OG 3.21Å; L265-S269 VanDerWaalsContact O-OG 3.08Å; A266-S269 CarbonylContact O-C 3.59Å; A266-S269 WeakPolarHBondContact O-CA 3.37Å; A266-S269 PolarHBondContact O-N 2.6Å; A266-S269 PolarHBondContact O-OG 3.49Å; I267-S269 PolarHBondContact O-N 2.8Å
270	S	48.6	Very low	49.4	Very low	104 Å²	104	81.7 Å²	81.7	73%	0.727	44%	0.436	S	S	*	.	H	α-helix	trans	-71.4	-21.5	170.1	57.5	0	0	0	0	112.3	A266	A266-S270 PolarHBondContact O-N 3.31Å; A266-S270 PolarHBondContact O-OG 2.87Å
271	S	47.6	Very low	49.4	Very low	34 Å²	34	86.6 Å²	86.6	24%	0.238	46%	0.458	C	S	.	.	S	Bend	trans	-99.8	143.2	179.9	67.7	0	0	0	0	110.3	I267 F273	I267-S271 WeakPolarHBondContact O-CB 3.22Å; I267-S271 PolarHBondContact O-OG 3.28Å; S271-F273 PolarHBondContact O-N 3.14Å; S271-F273 WeakPolarHBondContact OG-CD2 3.42Å
272	Q	47.1	Very low	49.8	Very low	191 Å²	191	89.6 Å²	89.6	89%	0.893	47%	0.471	S	S	*	.			trans	-75.1	42.9	-172.4	-63.6	-174.7	-7.7	0	0	114.7	Y274	Q272-Y274 PolarHBondContact O-N 3.39Å
273	F	47.1	Very low	50.2	Low	84 Å²	84	86 Å²	86	37%	0.368	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	17.3	-159	-85.9	-100.6	0	0	0	117.2	S271 G275 L277 I286	S271-F273 PolarHBondContact O-N 3.14Å; S271-F273 WeakPolarHBondContact OG-CD2 3.42Å; F273-G275 VanDerWaalsContact C-N 3.27Å; F273-L277 HydrophobicContact CD1-CD1 4.13Å; F273-L277 HydrophobicContact CD1-CD2 3.75Å; F273-L277 HydrophobicContact CD1-CG 3.87Å; F273-L277 HydrophobicContact CE1-CD2 3.58Å; F273-L277 HydrophobicContact CE1-CG 4.21Å; F273-I286 HydrophobicContact CD1-CD1 3.76Å; F273-I286 HydrophobicContact CE1-CD1 3.37Å; F273-I286 HydrophobicContact CE1-CG1 4.12Å; F273-I286 HydrophobicContact CZ-CD1 3.98Å; F273-I286 HydrophobicContact CZ-CG1 4.22Å
274	Y	37.3	Very low	50.5	Low	241 Å²	241	85.7 Å²	85.7	95%	0.945	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.8	168.9	-94.2	-94.2	0	0	0	114	Q272	Q272-Y274 PolarHBondContact O-N 3.39Å
275	G	39.6	Very low	51	Low	58 Å²	58	90 Å²	90	60%	0.598	48%	0.475	S	S	*	.	S	Bend	trans	-107.4	100.6	175.7	0	0	0	0	0	113.4	F273	F273-G275 VanDerWaalsContact C-N 3.27Å
276	K	43.9	Very low	51.5	Low	167 Å²	167	87.6 Å²	87.6	73%	0.726	46%	0.462	S	S	*	.			trans	43.5	79.1	159.7	-63.2	-173.6	-174.4	175.3	0	117	Q278	K276-Q278 HydrophobicContact CB-CG 4.16Å; K276-Q278 VanDerWaalsContact CD-OE1 3.3Å; K276-Q278 PolarHBondContact O-N 3.45Å
277	L	43.9	Very low	51.9	Low	78 Å²	78	87.2 Å²	87.2	41%	0.408	45%	0.451	S	S	.	.			trans	-61.5	99.9	156.7	-85.7	164.7	0	0	0	110	F273 Q282 I286	F273-L277 HydrophobicContact CD1-CD1 4.13Å; F273-L277 HydrophobicContact CD1-CD2 3.75Å; F273-L277 HydrophobicContact CD1-CG 3.87Å; F273-L277 HydrophobicContact CE1-CD2 3.58Å; F273-L277 HydrophobicContact CE1-CG 4.21Å; L277-Q282 HydrophobicContact CD2-CB 4.18Å; L277-I286 HydrophobicContact CD2-CD1 3.93Å
278	Q	51.1	Low	52.5	Low	149 Å²	149	90.2 Å²	90.2	70%	0.696	46%	0.461	S	S	*	.			trans	-110.2	-9.7	-172.9	-89.1	-174.4	-91.2	0	0	115.3	K276	K276-Q278 HydrophobicContact CB-CG 4.16Å; K276-Q278 VanDerWaalsContact CD-OE1 3.3Å; K276-Q278 PolarHBondContact O-N 3.45Å
279	T	54.3	Low	53.4	Low	63 Å²	63	87.8 Å²	87.8	39%	0.387	45%	0.453	S	S	.	.			trans	-126.3	153.8	178	76.3	0	0	0	0	114.1	Q281 Q282 N283	T279-Q281 VanDerWaalsContact C-N 3.29Å; T279-Q281 PolarHBondContact O-N 3.48Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.42Å; T279-Q282 PolarHBondContact OG1-N 3.37Å; T279-N283 PolarHBondContact O-ND2 3.14Å
280	C	54.9	Low	54.2	Low	52 Å²	52	84 Å²	84	35%	0.351	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-41.6	175.5	-160.4	0	0	0	0	111.6	N283 S284 Y317 C329	C280-N283 PolarHBondContact O-N 3.21Å; C280-S284 PolarHBondContact O-N 3.2Å; C280-Y317 PolarHBondContact O-OH 3.3Å; C280-Y317 PolarHBondContact SG-OH 2.98Å; C280-C329 VanDerWaalsContact SG-SG 3.69Å
281	Q	55.3	Low	55	Low	124 Å²	124	79 Å²	79	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-68.1	-42.7	-175.4	-167.9	179	19.2	0	0	113.2	T279 N283 S284 Q285	T279-Q281 VanDerWaalsContact C-N 3.29Å; T279-Q281 PolarHBondContact O-N 3.48Å; Q281-N283 VanDerWaalsContact C-N 3.29Å; Q281-N283 PolarHBondContact O-N 3.18Å; Q281-S284 WeakPolarHBondContact O-CB 3.44Å; Q281-S284 PolarHBondContact O-N 3.24Å; Q281-S284 VanDerWaalsContact O-N 3.09Å; Q281-Q285 WeakPolarHBondContact O-CG 3.36Å; Q281-Q285 PolarHBondContact O-N 3.25Å
282	Q	59.4	Low	56	Low	81 Å²	81	80.3 Å²	80.3	38%	0.379	39%	0.393	S	S	.	.	H	α-helix	trans	-59.3	-41.8	175.1	-75.3	170.1	-19.8	0	0	111.6	L277 T279 I286	L277-Q282 HydrophobicContact CD2-CB 4.18Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.42Å; T279-Q282 PolarHBondContact OG1-N 3.37Å; Q282-I286 WeakPolarHBondContact O-CD1 3.43Å; Q282-I286 WeakPolarHBondContact O-CG1 3.45Å; Q282-I286 PolarHBondContact O-N 2.75Å
283	N	59.2	Low	56.8	Low	27 Å²	27	74.9 Å²	74.9	14%	0.144	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-43.2	174.6	-70.7	-84.2	0	0	0	111.1	T279 C280 Q281 Q285 I286 Y287 Y317	T279-N283 PolarHBondContact O-ND2 3.14Å; C280-N283 PolarHBondContact O-N 3.21Å; Q281-N283 VanDerWaalsContact C-N 3.29Å; Q281-N283 PolarHBondContact O-N 3.18Å; N283-Q285 VanDerWaalsContact C-N 3.32Å; N283-Q285 PolarHBondContact O-N 2.85Å; N283-I286 PolarHBondContact O-N 3.01Å; N283-Y287 VanDerWaalsContact O-CD2 3.31Å; N283-Y287 WeakPolarHBondContact O-CD2 3.34Å; N283-Y287 PolarHBondContact O-N 3.25Å; N283-Y317 HydrophobicContact CB-CE2 3.67Å
284	S	62	Low	57.6	Low	3 Å²	3	71.2 Å²	71.2	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-51.3	-50.5	176.9	-163.5	0	0	0	0	111.9	C280 Q281 I286 Y287 R288 F331	C280-S284 PolarHBondContact O-N 3.2Å; Q281-S284 WeakPolarHBondContact O-CB 3.44Å; Q281-S284 PolarHBondContact O-N 3.24Å; Q281-S284 VanDerWaalsContact O-N 3.09Å; S284-I286 PolarHBondContact O-N 2.98Å; S284-Y287 PolarHBondContact O-N 3.2Å; S284-R288 WeakPolarHBondContact O-CB 3.35Å; S284-R288 PolarHBondContact O-N 3.35Å; S284-F331 VanDerWaalsContact OG-CA 3.28Å; S284-F331 WeakPolarHBondContact OG-CA 3.41Å; S284-F331 WeakPolarHBondContact OG-CB 3.37Å; S284-F331 WeakPolarHBondContact OG-CD2 3.43Å
285	Q	63.5	Low	59.1	Low	113 Å²	113	62 Å²	62	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-36.9	-177.4	-70.5	168.6	-21.8	0	0	113.4	Q281 N283 R288 A289	Q281-Q285 WeakPolarHBondContact O-CG 3.36Å; Q281-Q285 PolarHBondContact O-N 3.25Å; N283-Q285 VanDerWaalsContact C-N 3.32Å; N283-Q285 PolarHBondContact O-N 2.85Å; Q285-R288 PolarHBondContact O-N 3.4Å; Q285-A289 WeakPolarHBondContact O-CB 3.45Å; Q285-A289 PolarHBondContact O-N 2.89Å
286	I	62.6	Low	60.3	Low	26 Å²	26	65.1 Å²	65.1	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-46.4	176.8	-58.5	158.7	0	0	0	110.7	I267 F273 L277 Q282 N283 S284 R288 A289 M290	I267-I286 HydrophobicContact CG2-CG2 4.38Å; F273-I286 HydrophobicContact CD1-CD1 3.76Å; F273-I286 HydrophobicContact CE1-CD1 3.37Å; F273-I286 HydrophobicContact CE1-CG1 4.12Å; F273-I286 HydrophobicContact CZ-CD1 3.98Å; F273-I286 HydrophobicContact CZ-CG1 4.22Å; L277-I286 HydrophobicContact CD2-CD1 3.93Å; Q282-I286 WeakPolarHBondContact O-CD1 3.43Å; Q282-I286 WeakPolarHBondContact O-CG1 3.45Å; Q282-I286 PolarHBondContact O-N 2.75Å; N283-I286 PolarHBondContact O-N 3.01Å; S284-I286 PolarHBondContact O-N 2.98Å; I286-R288 VanDerWaalsContact C-N 3.28Å; I286-R288 PolarHBondContact O-N 3.08Å; I286-A289 PolarHBondContact O-N 3.29Å; I286-M290 WeakPolarHBondContact O-CB 3.36Å; I286-M290 PolarHBondContact O-N 3.41Å
287	Y	62.2	Low	61.3	Low	39 Å²	39	64.1 Å²	64.1	15%	0.153	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-30.6	-179.5	-81	-75.3	0	0	0	112	N283 S284 M290 A291 L313 S316 Y317 F331	N283-Y287 VanDerWaalsContact O-CD2 3.31Å; N283-Y287 WeakPolarHBondContact O-CD2 3.34Å; N283-Y287 PolarHBondContact O-N 3.25Å; S284-Y287 PolarHBondContact O-N 3.2Å; Y287-M290 HydrophobicContact CD1-CE 3.44Å; Y287-M290 VanDerWaalsContact CD1-CE 3.44Å; Y287-M290 HydrophobicContact CE1-CE 3.85Å; Y287-M290 HydrophobicContact CG-CE 4.4Å; Y287-A291 PolarHBondContact O-N 2.72Å; Y287-A291 VanDerWaalsContact O-N 3.11Å; Y287-L313 HydrophobicContact CD1-CD2 3.85Å; Y287-L313 HydrophobicContact CD1-CG 3.74Å; Y287-L313 HydrophobicContact CE1-CG 4.25Å; Y287-L313 WeakPolarHBondContact O-CD2 3.29Å; Y287-S316 WeakPolarHBondContact CE1-OG 3.23Å; Y287-S316 PolarHBondContact OH-OG 3.39Å; Y287-Y317 AromaticContact CD2-CD2 3.57Å; Y287-Y317 HydrophobicContact CD2-CD2 3.57Å; Y287-Y317 HydrophobicContact CD2-CE2 4.1Å; Y287-Y317 AromaticContact CE2-CD2 3.62Å; Y287-Y317 HydrophobicContact CE2-CD2 3.62Å; Y287-Y317 HydrophobicContact CE2-CE2 4.35Å; Y287-Y317 HydrophobicContact CG-CD2 4.41Å; Y287-F331 HydrophobicContact CG-CE2 4.18Å; Y287-F331 HydrophobicContact CG-CZ 4.08Å
288	R	66.3	Low	62.1	Low	82 Å²	82	61.8 Å²	61.8	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-67.9	-52.1	170.2	175.2	165.7	-173.9	149.5	6.5	113	S284 Q285 I286 M290 A291 E292 E334 L338	S284-R288 WeakPolarHBondContact O-CB 3.35Å; S284-R288 PolarHBondContact O-N 3.35Å; Q285-R288 PolarHBondContact O-N 3.4Å; I286-R288 VanDerWaalsContact C-N 3.28Å; I286-R288 PolarHBondContact O-N 3.08Å; R288-M290 PolarHBondContact O-N 3.27Å; R288-A291 WeakPolarHBondContact O-CA 3.4Å; R288-A291 VanDerWaalsContact O-CB 3.25Å; R288-A291 WeakPolarHBondContact O-CB 3.49Å; R288-A291 PolarHBondContact O-N 3.36Å; R288-E292 VanDerWaalsContact CG-OE1 3.25Å; R288-E292 WeakPolarHBondContact CG-OE1 3.34Å; R288-E292 IonicContact CZ-OE1 3.7Å; R288-E292 IonicContact NE-OE1 2.85Å; R288-E292 PolarHBondContact NE-OE1 2.7Å; R288-E292 IonicContact NH2-OE1 3.64Å; R288-E292 PolarHBondContact O-N 3.14Å; R288-E334 VanDerWaalsContact CD-OE2 3.27Å; R288-E334 WeakPolarHBondContact CD-OE2 3.46Å; R288-E334 IonicContact CZ-OE2 3.72Å; R288-E334 IonicContact NE-OE2 3.9Å; R288-E334 IonicContact NH1-OE2 2.75Å; R288-E334 PolarHBondContact NH1-OE2 2.9Å; R288-L338 HydrophobicContact CG-CD1 3.89Å
289	A	66.9	Low	62.4	Low	36 Å²	36	58.2 Å²	58.2	30%	0.298	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-32	177.7	0	0	0	0	0	112.4	Q285 I286 Q293	Q285-A289 WeakPolarHBondContact O-CB 3.45Å; Q285-A289 PolarHBondContact O-N 2.89Å; I286-A289 PolarHBondContact O-N 3.29Å; A289-Q293 WeakPolarHBondContact O-CB 3.33Å; A289-Q293 WeakPolarHBondContact O-CG 3.43Å; A289-Q293 PolarHBondContact O-N 3Å
290	M	65.8	Low	62.7	Low	11 Å²	11	55.7 Å²	55.7	5%	0.054	27%	0.271	C	S	.	.	H	α-helix	trans	-71.4	-31.4	171.4	-179.2	171.6	53.1	0	0	113.1	L264 I267 I286 Y287 R288 L294 L313	L264-M290 HydrophobicContact CB-SD 4.21Å; L264-M290 HydrophobicContact CD1-CE 4.38Å; L264-M290 HydrophobicContact CD1-SD 3.73Å; L264-M290 HydrophobicContact CG-SD 3.77Å; I267-M290 HydrophobicContact CD1-CB 3.93Å; I267-M290 HydrophobicContact CD1-CG 3.85Å; I286-M290 WeakPolarHBondContact O-CB 3.36Å; I286-M290 PolarHBondContact O-N 3.41Å; Y287-M290 HydrophobicContact CD1-CE 3.44Å; Y287-M290 VanDerWaalsContact CD1-CE 3.44Å; Y287-M290 HydrophobicContact CE1-CE 3.85Å; Y287-M290 HydrophobicContact CG-CE 4.4Å; R288-M290 PolarHBondContact O-N 3.27Å; M290-L294 HydrophobicContact CG-CD1 4.14Å; M290-L294 WeakPolarHBondContact O-CB 3.32Å; M290-L294 WeakPolarHBondContact O-CD1 3.4Å; M290-L294 WeakPolarHBondContact O-CG 3.4Å; M290-L294 PolarHBondContact O-N 2.76Å; M290-L313 HydrophobicContact CE-CD1 3.99Å; M290-L313 HydrophobicContact CE-CD2 4.15Å; M290-L313 HydrophobicContact CE-CG 4.19Å
291	A	65.6	Low	62.8	Low	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-47.7	174	0	0	0	0	0	111.2	Y287 R288 L294 W295 F310 M335 W342	Y287-A291 PolarHBondContact O-N 2.72Å; Y287-A291 VanDerWaalsContact O-N 3.11Å; R288-A291 WeakPolarHBondContact O-CA 3.4Å; R288-A291 VanDerWaalsContact O-CB 3.25Å; R288-A291 WeakPolarHBondContact O-CB 3.49Å; R288-A291 PolarHBondContact O-N 3.36Å; A291-L294 PolarHBondContact O-N 3.13Å; A291-W295 PolarHBondContact O-N 2.94Å; A291-W295 VanDerWaalsContact O-N 3.16Å; A291-F310 HydrophobicContact CB-CD1 4.19Å; A291-F310 HydrophobicContact CB-CE1 3.39Å; A291-F310 HydrophobicContact CB-CZ 3.94Å; A291-M335 HydrophobicContact CB-CE 4Å; A291-M335 HydrophobicContact CB-SD 4.41Å; A291-W342 HydrophobicContact CB-CH2 3.89Å; A291-W342 HydrophobicContact CB-CZ3 3.97Å
292	E	67.5	Low	63	Low	62 Å²	62	59.3 Å²	59.3	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-50.6	176.6	-68.9	156	176.8	0	0	110.2	R288 L294 W295 D296 W342	R288-E292 VanDerWaalsContact CG-OE1 3.25Å; R288-E292 WeakPolarHBondContact CG-OE1 3.34Å; R288-E292 IonicContact CZ-OE1 3.7Å; R288-E292 IonicContact NE-OE1 2.85Å; R288-E292 PolarHBondContact NE-OE1 2.7Å; R288-E292 IonicContact NH2-OE1 3.64Å; R288-E292 PolarHBondContact O-N 3.14Å; E292-L294 VanDerWaalsContact C-N 3.29Å; E292-L294 PolarHBondContact O-N 3.24Å; E292-W295 WeakPolarHBondContact O-CB 3.42Å; E292-W295 PolarHBondContact O-N 2.97Å; E292-D296 VanDerWaalsContact O-CG 3.25Å; E292-D296 PolarHBondContact O-N 2.66Å; E292-W342 HydrophobicContact CG-CH2 3.88Å; E292-W342 HydrophobicContact CG-CZ2 3.82Å
293	Q	65	Low	62.7	Low	76 Å²	76	58.1 Å²	58.1	36%	0.355	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-20.2	177.9	-72.5	-178.3	22.4	0	0	115.9	A289 R297	A289-Q293 WeakPolarHBondContact O-CB 3.33Å; A289-Q293 WeakPolarHBondContact O-CG 3.43Å; A289-Q293 PolarHBondContact O-N 3Å; Q293-R297 WeakPolarHBondContact O-CB 3.49Å; Q293-R297 WeakPolarHBondContact O-CD 3.35Å; Q293-R297 WeakPolarHBondContact O-CG 3.42Å
294	L	63.3	Low	62.7	Low	7 Å²	7	62.7 Å²	62.7	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-82	-29.9	173.4	-74.7	168.4	0	0	0	111.9	W256 M290 A291 E292 F299 L300	W256-L294 HydrophobicContact CH2-CD1 4.05Å; W256-L294 HydrophobicContact CZ3-CD1 3.93Å; M290-L294 HydrophobicContact CG-CD1 4.14Å; M290-L294 WeakPolarHBondContact O-CB 3.32Å; M290-L294 WeakPolarHBondContact O-CD1 3.4Å; M290-L294 WeakPolarHBondContact O-CG 3.4Å; M290-L294 PolarHBondContact O-N 2.76Å; A291-L294 PolarHBondContact O-N 3.13Å; E292-L294 VanDerWaalsContact C-N 3.29Å; E292-L294 PolarHBondContact O-N 3.24Å; L294-F299 HydrophobicContact CD2-CB 4.4Å; L294-F299 HydrophobicContact CD2-CD2 4.07Å; L294-F299 HydrophobicContact CD2-CG 4.46Å; L294-F299 PolarHBondContact O-N 3.27Å; L294-L300 HydrophobicContact CB-CD1 4.18Å; L294-L300 HydrophobicContact CB-CG 4.49Å
295	W	68.2	Low	62.7	Low	47 Å²	47	66.5 Å²	66.5	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-70.5	-53.9	171.6	-179.2	-95.2	0	0	0	110.8	A291 E292 R297 G298 L300 C306 W342 A345	A291-W295 PolarHBondContact O-N 2.94Å; A291-W295 VanDerWaalsContact O-N 3.16Å; E292-W295 WeakPolarHBondContact O-CB 3.42Å; E292-W295 PolarHBondContact O-N 2.97Å; W295-R297 PolarHBondContact O-N 3.44Å; W295-R297 VanDerWaalsContact O-N 3.08Å; W295-G298 PolarHBondContact O-N 3.37Å; W295-L300 HydrophobicContact CE3-CB 4.2Å; W295-C306 VanDerWaalsContact CZ3-SG 3.57Å; W295-W342 HydrophobicContact CB-CZ2 4.46Å; W295-W342 AromaticContact CD1-NE1 3.99Å; W295-W342 AromaticContact CD2-CD1 3.97Å; W295-W342 HydrophobicContact CD2-CD2 4.39Å; W295-W342 HydrophobicContact CD2-CG 4.09Å; W295-W342 AromaticContact CE2-CD1 3.75Å; W295-W342 HydrophobicContact CE3-CB 4.17Å; W295-W342 HydrophobicContact CE3-CG 4.16Å; W295-W342 HydrophobicContact CH2-CB 4.05Å; W295-W342 HydrophobicContact CH2-CG 4.49Å; W295-W342 HydrophobicContact CZ2-CB 4.4Å; W295-W342 HydrophobicContact CZ2-CG 4.42Å; W295-W342 HydrophobicContact CZ3-CB 3.94Å; W295-W342 HydrophobicContact CZ3-CG 4.37Å; W295-A345 HydrophobicContact CH2-CB 4.21Å; W295-A345 HydrophobicContact CZ2-CB 3.94Å
296	D	66.3	Low	62.6	Low	124 Å²	124	61.1 Å²	61.1	66%	0.663	29%	0.29	S	S	*	.	H	α-helix	trans	-59.1	-27.2	-177.4	-60.3	-20.4	0	0	0	113.6	E292	E292-D296 VanDerWaalsContact O-CG 3.25Å; E292-D296 PolarHBondContact O-N 2.66Å
297	R	64.8	Low	62.5	Low	147 Å²	147	66 Å²	66	56%	0.555	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	5.8	176.9	-68.7	179.8	173.8	-164.9	-4.3	113.9	T263 Q293 W295 F299	T263-R297 PolarHBondContact OG1-NH1 3.37Å; Q293-R297 WeakPolarHBondContact O-CB 3.49Å; Q293-R297 WeakPolarHBondContact O-CD 3.35Å; Q293-R297 WeakPolarHBondContact O-CG 3.42Å; W295-R297 PolarHBondContact O-N 3.44Å; W295-R297 VanDerWaalsContact O-N 3.08Å; R297-F299 VanDerWaalsContact C-N 3.28Å; R297-F299 HydrophobicContact CB-CD2 3.6Å; R297-F299 HydrophobicContact CB-CE2 3.64Å; R297-F299 PolarHBondContact O-N 3.11Å
298	G	60.2	Low	62.7	Low	28 Å²	28	68 Å²	68	29%	0.289	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	24	175.1	0	0	0	0	0	115.1	W295 L300 R301	W295-G298 PolarHBondContact O-N 3.37Å; G298-L300 VanDerWaalsContact C-N 3.29Å; G298-R301 WeakPolarHBondContact O-CG 3.45Å; G298-R301 PolarHBondContact O-NE 2.84Å; G298-R301 VanDerWaalsContact O-NE 3.09Å
299	F	58.1	Low	62.6	Low	75 Å²	75	65.4 Å²	65.4	33%	0.329	31%	0.314	S	S	.	.			trans	-78.3	-13.8	174.6	-72.4	-71.4	0	0	0	113.1	E259 E260 L294 R297	E259-F299 HydrophobicContact CB-CE1 4.39Å; E259-F299 HydrophobicContact CB-CZ 4.19Å; E260-F299 HydrophobicContact CG-CD1 4.4Å; L294-F299 HydrophobicContact CD2-CB 4.4Å; L294-F299 HydrophobicContact CD2-CD2 4.07Å; L294-F299 HydrophobicContact CD2-CG 4.46Å; L294-F299 PolarHBondContact O-N 3.27Å; R297-F299 VanDerWaalsContact C-N 3.28Å; R297-F299 HydrophobicContact CB-CD2 3.6Å; R297-F299 HydrophobicContact CB-CE2 3.64Å; R297-F299 PolarHBondContact O-N 3.11Å
300	L	59.3	Low	62.5	Low	9 Å²	9	63.9 Å²	63.9	5%	0.047	30%	0.3	C	S	.	.			trans	-118.8	102.5	178	-56	175	0	0	0	107.7	L294 W295 G298 Q305 K309 F310	L294-L300 HydrophobicContact CB-CD1 4.18Å; L294-L300 HydrophobicContact CB-CG 4.49Å; W295-L300 HydrophobicContact CE3-CB 4.2Å; G298-L300 VanDerWaalsContact C-N 3.29Å; L300-Q305 HydrophobicContact CD2-CB 4.44Å; L300-K309 HydrophobicContact CD2-CB 4.02Å; L300-K309 HydrophobicContact CD2-CG 3.76Å; L300-F310 HydrophobicContact CD1-CE1 4.23Å; L300-F310 HydrophobicContact CD1-CE2 4.13Å; L300-F310 HydrophobicContact CD1-CZ 3.55Å
301	R	57.2	Low	62.5	Low	204 Å²	204	69.5 Å²	69.5	77%	0.77	33%	0.325	S	S	*	.			trans	-110.8	-8.3	-174.3	-63.4	-168.7	179.5	-151.6	-2	114.6	G298	G298-R301 WeakPolarHBondContact O-CG 3.45Å; G298-R301 PolarHBondContact O-NE 2.84Å; G298-R301 VanDerWaalsContact O-NE 3.09Å
302	T	59.5	Low	62.4	Low	49 Å²	49	69.9 Å²	69.9	30%	0.301	33%	0.327	S	S	.	.	S	Bend	trans	-130.7	153.6	170.7	85.6	0	0	0	0	111.7	E304 Q305 C306	T302-E304 VanDerWaalsContact CB-OE2 3.29Å; T302-E304 WeakPolarHBondContact CB-OE2 3.4Å; T302-E304 PolarHBondContact O-N 2.79Å; T302-E304 PolarHBondContact OG1-N 3.04Å; T302-E304 PolarHBondContact OG1-OE2 3.18Å; T302-Q305 WeakPolarHBondContact O-CB 3.4Å; T302-Q305 PolarHBondContact O-N 3.49Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.11Å; T302-Q305 PolarHBondContact OG1-N 3.02Å; T302-C306 PolarHBondContact O-N 3.16Å
303	P	54.1	Low	62.2	Low	56 Å²	56	67 Å²	67	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-57.1	-30.1	174.9	-27.6	36.9	0	0	0	114.2	R307 A343	P303-R307 WeakPolarHBondContact O-CB 3.28Å; P303-R307 VanDerWaalsContact O-CG 3.29Å; P303-R307 WeakPolarHBondContact O-CG 3.4Å; P303-R307 PolarHBondContact O-N 2.91Å; P303-A343 HydrophobicContact CB-CB 4.22Å
304	E	57.7	Low	62.1	Low	123 Å²	123	64.2 Å²	64.2	58%	0.575	30%	0.301	S	S	*	.	H	α-helix	trans	-72.1	-35	174.5	-51.5	91.4	171.6	0	0	112.8	T302 R307 T308	T302-E304 VanDerWaalsContact CB-OE2 3.29Å; T302-E304 WeakPolarHBondContact CB-OE2 3.4Å; T302-E304 PolarHBondContact O-N 2.79Å; T302-E304 PolarHBondContact OG1-N 3.04Å; T302-E304 PolarHBondContact OG1-OE2 3.18Å; E304-R307 PolarHBondContact O-N 3.2Å; E304-T308 WeakPolarHBondContact O-CB 3.13Å; E304-T308 WeakPolarHBondContact O-CG2 3.23Å; E304-T308 PolarHBondContact O-N 3.16Å; E304-T308 PolarHBondContact O-OG1 3.15Å
305	Q	63.6	Low	62	Low	82 Å²	82	67.4 Å²	67.4	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-44.2	174.6	-67.5	172.9	3.2	0	0	110.6	L300 T302 T308 K309	L300-Q305 HydrophobicContact CD2-CB 4.44Å; T302-Q305 WeakPolarHBondContact O-CB 3.4Å; T302-Q305 PolarHBondContact O-N 3.49Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.11Å; T302-Q305 PolarHBondContact OG1-N 3.02Å; Q305-T308 PolarHBondContact O-OG1 3.38Å; Q305-K309 VanDerWaalsContact O-CB 3.31Å; Q305-K309 WeakPolarHBondContact O-CB 3.44Å; Q305-K309 WeakPolarHBondContact O-CG 3.25Å; Q305-K309 PolarHBondContact O-N 2.92Å
306	C	59.7	Low	61.6	Low	1 Å²	1	65.7 Å²	65.7	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-54.3	-60.8	168.9	-75.1	0	0	0	0	111.3	W295 T302 T308 K309 F310	W295-C306 VanDerWaalsContact CZ3-SG 3.57Å; T302-C306 PolarHBondContact O-N 3.16Å; C306-T308 VanDerWaalsContact C-N 3.28Å; C306-T308 PolarHBondContact O-N 3.48Å; C306-K309 PolarHBondContact O-N 2.94Å; C306-F310 HydrophobicContact CB-CD2 4Å; C306-F310 HydrophobicContact CB-CE2 3.74Å; C306-F310 WeakPolarHBondContact O-CB 3.41Å; C306-F310 WeakPolarHBondContact O-CD2 3.44Å; C306-F310 WeakPolarHBondContact O-CG 3.34Å; C306-F310 PolarHBondContact O-N 3.5Å
307	R	61.8	Low	61.2	Low	128 Å²	128	60 Å²	60	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-36.1	-174.7	-74	170	172.3	-178.8	-0.9	112.9	P303 E304 K311	P303-R307 WeakPolarHBondContact O-CB 3.28Å; P303-R307 VanDerWaalsContact O-CG 3.29Å; P303-R307 WeakPolarHBondContact O-CG 3.4Å; P303-R307 PolarHBondContact O-N 2.91Å; E304-R307 PolarHBondContact O-N 3.2Å; R307-K311 WeakPolarHBondContact O-CB 3.44Å; R307-K311 WeakPolarHBondContact O-CD 3.42Å; R307-K311 WeakPolarHBondContact O-CG 3.47Å; R307-K311 PolarHBondContact O-N 3.46Å; R307-K311 VanDerWaalsContact O-N 3.14Å
308	T	65.2	Low	61	Low	81 Å²	81	60.2 Å²	60.2	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-76.2	-43.8	178.2	52	0	0	0	0	112.8	E304 Q305 C306 S312	E304-T308 WeakPolarHBondContact O-CB 3.13Å; E304-T308 WeakPolarHBondContact O-CG2 3.23Å; E304-T308 PolarHBondContact O-N 3.16Å; E304-T308 PolarHBondContact O-OG1 3.15Å; Q305-T308 PolarHBondContact O-OG1 3.38Å; C306-T308 VanDerWaalsContact C-N 3.28Å; C306-T308 PolarHBondContact O-N 3.48Å; T308-S312 PolarHBondContact O-N 3.01Å
309	K	64.3	Low	60.8	Low	28 Å²	28	63.6 Å²	63.6	12%	0.122	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-36.8	176.7	-66.5	-90.6	-178.3	170	0	111.6	W256 E260 L300 Q305 C306 S312 L313	W256-K309 HydrophobicContact CH2-CD 4.24Å; W256-K309 HydrophobicContact CZ2-CD 3.89Å; E260-K309 IonicContact OE1-NZ 2.61Å; E260-K309 PolarHBondContact OE1-NZ 3.38Å; E260-K309 IonicContact OE2-NZ 3.63Å; E260-K309 PolarHBondContact OE2-NZ 3.47Å; L300-K309 HydrophobicContact CD2-CB 4.02Å; L300-K309 HydrophobicContact CD2-CG 3.76Å; Q305-K309 VanDerWaalsContact O-CB 3.31Å; Q305-K309 WeakPolarHBondContact O-CB 3.44Å; Q305-K309 WeakPolarHBondContact O-CG 3.25Å; Q305-K309 PolarHBondContact O-N 2.92Å; C306-K309 PolarHBondContact O-N 2.94Å; K309-S312 VanDerWaalsContact O-CB 3.31Å; K309-S312 WeakPolarHBondContact O-CB 3.37Å; K309-S312 PolarHBondContact O-N 3.28Å; K309-L313 PolarHBondContact O-N 3.49Å
310	F	65.4	Low	60.6	Low	3 Å²	3	64.5 Å²	64.5	1%	0.013	30%	0.301	C	S	.	.	H	α-helix	trans	-72.5	-38.4	176.2	-61.9	-41.8	0	0	0	113.6	A291 L300 C306 S312 L313 Q314 M335 W342	A291-F310 HydrophobicContact CB-CD1 4.19Å; A291-F310 HydrophobicContact CB-CE1 3.39Å; A291-F310 HydrophobicContact CB-CZ 3.94Å; L300-F310 HydrophobicContact CD1-CE1 4.23Å; L300-F310 HydrophobicContact CD1-CE2 4.13Å; L300-F310 HydrophobicContact CD1-CZ 3.55Å; C306-F310 HydrophobicContact CB-CD2 4Å; C306-F310 HydrophobicContact CB-CE2 3.74Å; C306-F310 WeakPolarHBondContact O-CB 3.41Å; C306-F310 WeakPolarHBondContact O-CD2 3.44Å; C306-F310 WeakPolarHBondContact O-CG 3.34Å; C306-F310 PolarHBondContact O-N 3.5Å; F310-S312 VanDerWaalsContact C-N 3.27Å; F310-S312 PolarHBondContact O-N 3.09Å; F310-L313 HydrophobicContact CD1-CD2 4.36Å; F310-L313 WeakPolarHBondContact O-CA 3.42Å; F310-L313 VanDerWaalsContact O-CB 3.3Å; F310-L313 WeakPolarHBondContact O-CB 3.37Å; F310-L313 PolarHBondContact O-N 2.98Å; F310-L313 VanDerWaalsContact O-N 3.11Å; F310-Q314 WeakPolarHBondContact O-CB 3.4Å; F310-Q314 WeakPolarHBondContact O-CG 3.3Å; F310-Q314 PolarHBondContact O-N 3.23Å; F310-M335 HydrophobicContact CB-CE 4.04Å; F310-M335 HydrophobicContact CD1-CE 3.35Å; F310-M335 HydrophobicContact CE1-CE 3.99Å; F310-M335 HydrophobicContact CG-CE 3.75Å; F310-W342 HydrophobicContact CE1-CZ3 4.27Å; F310-W342 AromaticContact CE2-CE3 3.63Å; F310-W342 HydrophobicContact CE2-CE3 3.63Å; F310-W342 AromaticContact CE2-CZ3 3.7Å; F310-W342 HydrophobicContact CE2-CZ3 3.7Å; F310-W342 AromaticContact CZ-CE3 3.82Å; F310-W342 HydrophobicContact CZ-CE3 3.82Å; F310-W342 HydrophobicContact CZ-CH2 4.46Å; F310-W342 AromaticContact CZ-CZ3 3.44Å; F310-W342 HydrophobicContact CZ-CZ3 3.44Å; F310-W342 VanDerWaalsContact CZ-CZ3 3.44Å
311	K	65.1	Low	60.3	Low	129 Å²	129	67.2 Å²	67.2	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-60.8	-36.4	168	-74.8	173	-178.3	-178.5	0	112	R307 L315	R307-K311 WeakPolarHBondContact O-CB 3.44Å; R307-K311 WeakPolarHBondContact O-CD 3.42Å; R307-K311 WeakPolarHBondContact O-CG 3.47Å; R307-K311 PolarHBondContact O-N 3.46Å; R307-K311 VanDerWaalsContact O-N 3.14Å; K311-L315 WeakPolarHBondContact O-CB 3.18Å; K311-L315 VanDerWaalsContact O-CG 3.24Å; K311-L315 WeakPolarHBondContact O-CG 3.34Å; K311-L315 PolarHBondContact O-N 3.2Å
312	S	64	Low	59.8	Low	8 Å²	8	67.8 Å²	67.8	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-44.2	170.5	165.6	0	0	0	0	112.5	T252 W256 T308 K309 F310 L315 S316	T252-S312 PolarHBondContact OG1-OG 3.29Å; W256-S312 PolarHBondContact NE1-OG 2.83Å; T308-S312 PolarHBondContact O-N 3.01Å; K309-S312 VanDerWaalsContact O-CB 3.31Å; K309-S312 WeakPolarHBondContact O-CB 3.37Å; K309-S312 PolarHBondContact O-N 3.28Å; F310-S312 VanDerWaalsContact C-N 3.27Å; F310-S312 PolarHBondContact O-N 3.09Å; S312-L315 PolarHBondContact O-N 3.01Å; S312-S316 PolarHBondContact O-N 3.47Å
313	L	62.8	Low	59.4	Low	2 Å²	2	69.2 Å²	69.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-53.3	175.1	-122.9	75.7	0	0	0	111.7	W256 Y287 M290 K309 F310 L315 S316 Y317 M335	W256-L313 HydrophobicContact CH2-CD1 3.58Å; W256-L313 HydrophobicContact CZ2-CD1 3.88Å; Y287-L313 HydrophobicContact CD1-CD2 3.85Å; Y287-L313 HydrophobicContact CD1-CG 3.74Å; Y287-L313 HydrophobicContact CE1-CG 4.25Å; Y287-L313 WeakPolarHBondContact O-CD2 3.29Å; M290-L313 HydrophobicContact CE-CD1 3.99Å; M290-L313 HydrophobicContact CE-CD2 4.15Å; M290-L313 HydrophobicContact CE-CG 4.19Å; K309-L313 PolarHBondContact O-N 3.49Å; F310-L313 HydrophobicContact CD1-CD2 4.36Å; F310-L313 WeakPolarHBondContact O-CA 3.42Å; F310-L313 VanDerWaalsContact O-CB 3.3Å; F310-L313 WeakPolarHBondContact O-CB 3.37Å; F310-L313 PolarHBondContact O-N 2.98Å; F310-L313 VanDerWaalsContact O-N 3.11Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 3.34Å; L313-S316 WeakPolarHBondContact O-CA 3.44Å; L313-S316 WeakPolarHBondContact O-CB 3.36Å; L313-S316 PolarHBondContact O-N 3Å; L313-S316 PolarHBondContact O-OG 3.1Å; L313-Y317 PolarHBondContact O-N 3.46Å; L313-M335 HydrophobicContact CD2-CE 4.05Å
314	Q	63.6	Low	58.8	Low	17 Å²	17	70.5 Å²	70.5	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-54.5	-44.7	175.9	-77.9	176.5	-11.3	0	0	112.1	F310 S316 Y317 R318 F331 Y332 D336	F310-Q314 WeakPolarHBondContact O-CB 3.4Å; F310-Q314 WeakPolarHBondContact O-CG 3.3Å; F310-Q314 PolarHBondContact O-N 3.23Å; Q314-S316 VanDerWaalsContact C-N 3.32Å; Q314-S316 PolarHBondContact O-N 3.35Å; Q314-Y317 WeakPolarHBondContact O-CB 3.39Å; Q314-Y317 PolarHBondContact O-N 2.99Å; Q314-R318 WeakPolarHBondContact O-CG 3.46Å; Q314-R318 PolarHBondContact O-N 3.2Å; Q314-F331 HydrophobicContact CG-CE1 4.38Å; Q314-Y332 HydrophobicContact CB-CD1 4.45Å; Q314-Y332 HydrophobicContact CB-CE1 3.84Å; Q314-Y332 HydrophobicContact CG-CD1 4.02Å; Q314-Y332 HydrophobicContact CG-CE1 3.86Å; Q314-Y332 PolarHBondContact O-OH 3.26Å; Q314-D336 PolarHBondContact NE2-OD1 3.45Å
315	L	61	Low	58	Low	75 Å²	75	69.9 Å²	69.9	39%	0.393	35%	0.351	S	S	.	.	H	α-helix	trans	-68.7	-26.7	176.2	-74	170.1	0	0	0	113.7	T252 K311 S312 L313 K319	T252-L315 HydrophobicContact CG2-CD1 3.97Å; K311-L315 WeakPolarHBondContact O-CB 3.18Å; K311-L315 VanDerWaalsContact O-CG 3.24Å; K311-L315 WeakPolarHBondContact O-CG 3.34Å; K311-L315 PolarHBondContact O-N 3.2Å; S312-L315 PolarHBondContact O-N 3.01Å; L313-L315 VanDerWaalsContact C-N 3.32Å; L313-L315 PolarHBondContact O-N 3.34Å; L315-K319 VanDerWaalsContact O-CD 3.29Å; L315-K319 WeakPolarHBondContact O-CD 3.47Å; L315-K319 WeakPolarHBondContact O-CE 3.09Å; L315-K319 WeakPolarHBondContact O-CG 3.3Å
316	S	59.1	Low	57.1	Low	10 Å²	10	72.1 Å²	72.1	7%	0.07	37%	0.372	C	S	.	.	H	α-helix	trans	-70.3	-44.1	170.5	84.4	0	0	0	0	110.8	Y287 S312 L313 Q314 R318 K319 V320	Y287-S316 WeakPolarHBondContact CE1-OG 3.23Å; Y287-S316 PolarHBondContact OH-OG 3.39Å; S312-S316 PolarHBondContact O-N 3.47Å; L313-S316 WeakPolarHBondContact O-CA 3.44Å; L313-S316 WeakPolarHBondContact O-CB 3.36Å; L313-S316 PolarHBondContact O-N 3Å; L313-S316 PolarHBondContact O-OG 3.1Å; Q314-S316 VanDerWaalsContact C-N 3.32Å; Q314-S316 PolarHBondContact O-N 3.35Å; S316-R318 PolarHBondContact O-N 3.15Å; S316-K319 WeakPolarHBondContact O-CB 3.4Å; S316-K319 PolarHBondContact O-N 3.18Å; S316-V320 PolarHBondContact O-N 2.89Å
317	Y	58.9	Low	56.5	Low	6 Å²	6	79 Å²	79	2%	0.024	41%	0.405	C	S	.	.	H	α-helix	trans	-60.6	-43.9	177.5	-168.4	-83.1	0	0	0	112.1	C280 N283 Y287 L313 Q314 K319 V320 R321 F331 Y332	C280-Y317 PolarHBondContact O-OH 3.3Å; C280-Y317 PolarHBondContact SG-OH 2.98Å; N283-Y317 HydrophobicContact CB-CE2 3.67Å; Y287-Y317 AromaticContact CD2-CD2 3.57Å; Y287-Y317 HydrophobicContact CD2-CD2 3.57Å; Y287-Y317 HydrophobicContact CD2-CE2 4.1Å; Y287-Y317 AromaticContact CE2-CD2 3.62Å; Y287-Y317 HydrophobicContact CE2-CD2 3.62Å; Y287-Y317 HydrophobicContact CE2-CE2 4.35Å; Y287-Y317 HydrophobicContact CG-CD2 4.41Å; L313-Y317 PolarHBondContact O-N 3.46Å; Q314-Y317 WeakPolarHBondContact O-CB 3.39Å; Q314-Y317 PolarHBondContact O-N 2.99Å; Y317-K319 PolarHBondContact O-N 2.96Å; Y317-K319 VanDerWaalsContact O-N 3.15Å; Y317-V320 PolarHBondContact O-N 3.09Å; Y317-R321 HydrophobicContact CD1-CB 4.26Å; Y317-R321 HydrophobicContact CE1-CB 4.14Å; Y317-R321 HydrophobicContact CE1-CG 4.38Å; Y317-R321 PolarHBondContact O-N 2.9Å; Y317-F331 VanDerWaalsContact CB-CE1 3.48Å; Y317-F331 AromaticContact CD1-CD1 3.66Å; Y317-F331 HydrophobicContact CD1-CD1 3.66Å; Y317-F331 AromaticContact CD1-CE1 3.95Å; Y317-F331 HydrophobicContact CD1-CE1 3.95Å; Y317-F331 AromaticContact CD2-CD1 3.59Å; Y317-F331 HydrophobicContact CD2-CD1 3.59Å; Y317-F331 AromaticContact CD2-CE1 3.47Å; Y317-F331 HydrophobicContact CD2-CE1 3.47Å; Y317-F331 VanDerWaalsContact CD2-CE1 3.47Å; Y317-F331 HydrophobicContact CD2-CE2 4.44Å; Y317-F331 HydrophobicContact CD2-CG 4.13Å; Y317-F331 AromaticContact CD2-CZ 3.93Å; Y317-F331 HydrophobicContact CD2-CZ 3.93Å; Y317-F331 HydrophobicContact CE1-CB 4.49Å; Y317-F331 AromaticContact CE1-CD1 3.82Å; Y317-F331 HydrophobicContact CE1-CD1 3.82Å; Y317-F331 HydrophobicContact CE1-CG 4.39Å; Y317-F331 HydrophobicContact CE2-CB 4.44Å; Y317-F331 AromaticContact CE2-CD1 3.78Å; Y317-F331 HydrophobicContact CE2-CD1 3.78Å; Y317-F331 HydrophobicContact CE2-CD2 4.4Å; Y317-F331 HydrophobicContact CE2-CE1 4.12Å; Y317-F331 AromaticContact CE2-CG 3.93Å; Y317-F331 HydrophobicContact CE2-CG 3.93Å; Y317-F331 AromaticContact CG-CD1 3.53Å; Y317-F331 HydrophobicContact CG-CD1 3.53Å; Y317-F331 AromaticContact CG-CE1 3.37Å; Y317-F331 HydrophobicContact CG-CE1 3.37Å; Y317-F331 HydrophobicContact CG-CG 4.48Å; Y317-F331 HydrophobicContact CG-CZ 4.22Å; Y317-F331 AromaticContact CZ-CD1 3.9Å; Y317-Y332 HydrophobicContact CD1-CE2 4.12Å; Y317-Y332 WeakPolarHBondContact CD1-OH 3.36Å; Y317-Y332 HydrophobicContact CE1-CE2 4.31Å
318	R	59.6	Low	55.9	Low	151 Å²	151	78 Å²	78	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-59.3	-25	174.2	-65.2	-169.1	-176.9	168.4	2.9	113.5	Q314 S316 Y332	Q314-R318 WeakPolarHBondContact O-CG 3.46Å; Q314-R318 PolarHBondContact O-N 3.2Å; S316-R318 PolarHBondContact O-N 3.15Å; R318-Y332 HydrophobicContact CG-CE1 4.37Å; R318-Y332 WeakPolarHBondContact CG-OH 3.38Å; R318-Y332 VanDerWaalsContact NH2-CE1 3.29Å
319	K	57.5	Low	55.5	Low	98 Å²	98	74.7 Å²	74.7	43%	0.426	40%	0.395	S	S	.	.	H	α-helix	trans	-83.5	-27.8	177.2	-67.4	162.8	-171.4	161.7	0	111.8	A251 L315 S316 Y317	A251-K319 PolarHBondContact O-NZ 3.21Å; L315-K319 VanDerWaalsContact O-CD 3.29Å; L315-K319 WeakPolarHBondContact O-CD 3.47Å; L315-K319 WeakPolarHBondContact O-CE 3.09Å; L315-K319 WeakPolarHBondContact O-CG 3.3Å; S316-K319 WeakPolarHBondContact O-CB 3.4Å; S316-K319 PolarHBondContact O-N 3.18Å; Y317-K319 PolarHBondContact O-N 2.96Å; Y317-K319 VanDerWaalsContact O-N 3.15Å
320	V	53.5	Low	55.3	Low	95 Å²	95	77.9 Å²	77.9	58%	0.576	41%	0.412	S	S	*	.	H	α-helix	trans	-81.9	-44.3	175.2	180	0	0	0	0	112.2	S316 Y317 R322	S316-V320 PolarHBondContact O-N 2.89Å; Y317-V320 PolarHBondContact O-N 3.09Å; V320-R322 PolarHBondContact O-N 2.96Å
321	R	52.5	Low	55.2	Low	65 Å²	65	77.8 Å²	77.8	25%	0.245	41%	0.412	C	S	.	.			trans	-70.8	25.2	-179.9	-165.4	-179.9	161	-142	-0	114.1	Y317 G323 C324 V325 E327 C329	Y317-R321 HydrophobicContact CD1-CB 4.26Å; Y317-R321 HydrophobicContact CE1-CB 4.14Å; Y317-R321 HydrophobicContact CE1-CG 4.38Å; Y317-R321 PolarHBondContact O-N 2.9Å; R321-G323 VanDerWaalsContact C-N 3.28Å; R321-G323 PolarHBondContact O-N 3.34Å; R321-C324 HydrophobicContact CG-CB 3.91Å; R321-V325 PolarHBondContact NH2-O 2.91Å; R321-E327 PolarHBondContact NH2-O 3.35Å; R321-C329 PolarHBondContact NH1-SG 2.83Å
322	R	46.7	Very low	55.1	Low	217 Å²	217	73 Å²	73	82%	0.819	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	77.3	179	-78.1	-174.6	166.2	-163.8	-5.1	111.6	V320	V320-R322 PolarHBondContact O-N 2.96Å
323	G	51.1	Low	55	Low	78 Å²	78	78 Å²	78	80%	0.804	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	166.6	-11.4	176.6	0	0	0	0	0	115.9	R321	R321-G323 VanDerWaalsContact C-N 3.28Å; R321-G323 PolarHBondContact O-N 3.34Å
324	C	42.2	Very low	55.1	Low	83 Å²	83	80.4 Å²	80.4	56%	0.561	42%	0.424	S	S	*	.			trans	-95.7	146.3	-176.9	-58.4	0	0	0	0	113.5	R321	R321-C324 HydrophobicContact CG-CB 3.91Å
325	V	40.4	Very low	55.3	Low	111 Å²	111	79.7 Å²	79.7	67%	0.673	42%	0.42	S	S	*	.			trans	-58.8	147.9	177.7	176.9	0	0	0	0	111.9	R321 E327	R321-V325 PolarHBondContact NH2-O 2.91Å; V325-E327 VanDerWaalsContact C-N 3.3Å; V325-E327 PolarHBondContact O-N 3.29Å
326	P	44.8	Very low	55.5	Low	128 Å²	128	80 Å²	80	83%	0.831	42%	0.423	S	S	*	.			trans	-77	71.2	178.9	33.7	-39	0	0	0	113.4
327	E	46.6	Very low	56.1	Low	147 Å²	147	82.4 Å²	82.4	69%	0.687	44%	0.443	S	S	*	.			trans	-84.5	152.7	154.5	-76.4	-176.3	157.6	0	0	110.9	R321 V325 C329	R321-E327 PolarHBondContact NH2-O 3.35Å; V325-E327 VanDerWaalsContact C-N 3.3Å; V325-E327 PolarHBondContact O-N 3.29Å; E327-C329 PolarHBondContact O-N 3.2Å
328	P	50.9	Low	56.5	Low	107 Å²	107	82.9 Å²	82.9	70%	0.695	45%	0.446	S	S	*	.			trans	-53.8	128.4	169.6	24.9	-34.3	0	0	0	109
329	C	56.7	Low	56.8	Low	11 Å²	11	76.2 Å²	76.2	7%	0.074	42%	0.423	C	S	.	.			trans	-109.3	93.7	-162.8	179.7	0	0	0	0	108.3	C280 R321 E327 F331 Y332	C280-C329 VanDerWaalsContact SG-SG 3.69Å; R321-C329 PolarHBondContact NH1-SG 2.83Å; E327-C329 PolarHBondContact O-N 3.2Å; C329-F331 PolarHBondContact O-N 3.33Å; C329-Y332 HydrophobicContact CB-CD2 3.81Å; C329-Y332 HydrophobicContact CB-CE2 4.23Å; C329-Y332 PolarHBondContact O-N 3.05Å
330	I	60	Low	57.3	Low	94 Å²	94	74.9 Å²	74.9	48%	0.482	43%	0.425	S	S	.	.	H	α-helix	trans	-35.3	-39.5	-179.2	-54.6	172.6	0	0	0	113	Y332 E333 E334	I330-Y332 VanDerWaalsContact C-N 3.31Å; I330-Y332 PolarHBondContact O-N 3.05Å; I330-E333 PolarHBondContact O-N 3.27Å; I330-E334 HydrophobicContact CG2-CG 3.98Å; I330-E334 WeakPolarHBondContact CG2-OE1 3.23Å; I330-E334 WeakPolarHBondContact O-CB 3.14Å; I330-E334 PolarHBondContact O-N 2.94Å
331	F	62.9	Low	58	Low	2 Å²	2	74.1 Å²	74.1	1%	0.009	42%	0.424	C	S	.	.	H	α-helix	trans	-50.2	-39.1	173.1	179	-116.8	0	0	0	115.7	S284 Y287 Q314 Y317 C329 M335	S284-F331 VanDerWaalsContact OG-CA 3.28Å; S284-F331 WeakPolarHBondContact OG-CA 3.41Å; S284-F331 WeakPolarHBondContact OG-CB 3.37Å; S284-F331 WeakPolarHBondContact OG-CD2 3.43Å; Y287-F331 HydrophobicContact CG-CE2 4.18Å; Y287-F331 HydrophobicContact CG-CZ 4.08Å; Q314-F331 HydrophobicContact CG-CE1 4.38Å; Y317-F331 VanDerWaalsContact CB-CE1 3.48Å; Y317-F331 AromaticContact CD1-CD1 3.66Å; Y317-F331 HydrophobicContact CD1-CD1 3.66Å; Y317-F331 AromaticContact CD1-CE1 3.95Å; Y317-F331 HydrophobicContact CD1-CE1 3.95Å; Y317-F331 AromaticContact CD2-CD1 3.59Å; Y317-F331 HydrophobicContact CD2-CD1 3.59Å; Y317-F331 AromaticContact CD2-CE1 3.47Å; Y317-F331 HydrophobicContact CD2-CE1 3.47Å; Y317-F331 VanDerWaalsContact CD2-CE1 3.47Å; Y317-F331 HydrophobicContact CD2-CE2 4.44Å; Y317-F331 HydrophobicContact CD2-CG 4.13Å; Y317-F331 AromaticContact CD2-CZ 3.93Å; Y317-F331 HydrophobicContact CD2-CZ 3.93Å; Y317-F331 HydrophobicContact CE1-CB 4.49Å; Y317-F331 AromaticContact CE1-CD1 3.82Å; Y317-F331 HydrophobicContact CE1-CD1 3.82Å; Y317-F331 HydrophobicContact CE1-CG 4.39Å; Y317-F331 HydrophobicContact CE2-CB 4.44Å; Y317-F331 AromaticContact CE2-CD1 3.78Å; Y317-F331 HydrophobicContact CE2-CD1 3.78Å; Y317-F331 HydrophobicContact CE2-CD2 4.4Å; Y317-F331 HydrophobicContact CE2-CE1 4.12Å; Y317-F331 AromaticContact CE2-CG 3.93Å; Y317-F331 HydrophobicContact CE2-CG 3.93Å; Y317-F331 AromaticContact CG-CD1 3.53Å; Y317-F331 HydrophobicContact CG-CD1 3.53Å; Y317-F331 AromaticContact CG-CE1 3.37Å; Y317-F331 HydrophobicContact CG-CE1 3.37Å; Y317-F331 HydrophobicContact CG-CG 4.48Å; Y317-F331 HydrophobicContact CG-CZ 4.22Å; Y317-F331 AromaticContact CZ-CD1 3.9Å; C329-F331 PolarHBondContact O-N 3.33Å; F331-M335 HydrophobicContact CD2-CG 3.66Å; F331-M335 HydrophobicContact CD2-SD 4.49Å; F331-M335 HydrophobicContact CE1-CG 4.38Å; F331-M335 HydrophobicContact CE2-CG 3.25Å; F331-M335 HydrophobicContact CE2-SD 3.78Å; F331-M335 HydrophobicContact CG-CG 4.39Å; F331-M335 HydrophobicContact CZ-CG 3.67Å; F331-M335 HydrophobicContact CZ-SD 4.38Å; F331-M335 WeakPolarHBondContact O-CB 3.36Å; F331-M335 WeakPolarHBondContact O-CG 3.12Å; F331-M335 PolarHBondContact O-N 3.4Å
332	Y	62	Low	58.8	Low	27 Å²	27	72.7 Å²	72.7	11%	0.106	42%	0.419	C	S	.	.	H	α-helix	trans	-73.3	-45.2	179	-69.7	-88	0	0	0	110.9	Q314 Y317 R318 C329 I330 M335 D336	Q314-Y332 HydrophobicContact CB-CD1 4.45Å; Q314-Y332 HydrophobicContact CB-CE1 3.84Å; Q314-Y332 HydrophobicContact CG-CD1 4.02Å; Q314-Y332 HydrophobicContact CG-CE1 3.86Å; Q314-Y332 PolarHBondContact O-OH 3.26Å; Y317-Y332 HydrophobicContact CD1-CE2 4.12Å; Y317-Y332 WeakPolarHBondContact CD1-OH 3.36Å; Y317-Y332 HydrophobicContact CE1-CE2 4.31Å; R318-Y332 HydrophobicContact CG-CE1 4.37Å; R318-Y332 WeakPolarHBondContact CG-OH 3.38Å; R318-Y332 VanDerWaalsContact NH2-CE1 3.29Å; C329-Y332 HydrophobicContact CB-CD2 3.81Å; C329-Y332 HydrophobicContact CB-CE2 4.23Å; C329-Y332 PolarHBondContact O-N 3.05Å; I330-Y332 VanDerWaalsContact C-N 3.31Å; I330-Y332 PolarHBondContact O-N 3.05Å; Y332-M335 PolarHBondContact O-N 3.13Å; Y332-D336 WeakPolarHBondContact O-CB 3.15Å; Y332-D336 PolarHBondContact O-N 3.17Å
333	E	63	Low	59.4	Low	114 Å²	114	63.5 Å²	63.5	53%	0.533	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-46	177.7	-68.8	150.3	-152.5	0	0	111.1	I330 A337	I330-E333 PolarHBondContact O-N 3.27Å; E333-A337 WeakPolarHBondContact O-CB 3.39Å; E333-A337 PolarHBondContact O-N 3.32Å
334	E	65.3	Low	59.7	Low	53 Å²	53	64.9 Å²	64.9	25%	0.248	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-44.9	173.3	-78.8	-172.3	-136	0	0	112.5	R288 I330 A337 L338	R288-E334 VanDerWaalsContact CD-OE2 3.27Å; R288-E334 WeakPolarHBondContact CD-OE2 3.46Å; R288-E334 IonicContact CZ-OE2 3.72Å; R288-E334 IonicContact NE-OE2 3.9Å; R288-E334 IonicContact NH1-OE2 2.75Å; R288-E334 PolarHBondContact NH1-OE2 2.9Å; I330-E334 HydrophobicContact CG2-CG 3.98Å; I330-E334 WeakPolarHBondContact CG2-OE1 3.23Å; I330-E334 WeakPolarHBondContact O-CB 3.14Å; I330-E334 PolarHBondContact O-N 2.94Å; E334-A337 PolarHBondContact O-N 3.23Å; E334-L338 WeakPolarHBondContact O-CB 3.38Å; E334-L338 VanDerWaalsContact O-CG 3.26Å; E334-L338 WeakPolarHBondContact O-CG 3.31Å; E334-L338 PolarHBondContact O-N 3.37Å
335	M	66.6	Low	60.1	Low	1 Å²	1	62.9 Å²	62.9	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-71.9	-35.2	-177.9	-73.3	-61.7	-51.8	0	0	113.1	A291 F310 L313 F331 Y332 L338 S339	A291-M335 HydrophobicContact CB-CE 4Å; A291-M335 HydrophobicContact CB-SD 4.41Å; F310-M335 HydrophobicContact CB-CE 4.04Å; F310-M335 HydrophobicContact CD1-CE 3.35Å; F310-M335 HydrophobicContact CE1-CE 3.99Å; F310-M335 HydrophobicContact CG-CE 3.75Å; L313-M335 HydrophobicContact CD2-CE 4.05Å; F331-M335 HydrophobicContact CD2-CG 3.66Å; F331-M335 HydrophobicContact CD2-SD 4.49Å; F331-M335 HydrophobicContact CE1-CG 4.38Å; F331-M335 HydrophobicContact CE2-CG 3.25Å; F331-M335 HydrophobicContact CE2-SD 3.78Å; F331-M335 HydrophobicContact CG-CG 4.39Å; F331-M335 HydrophobicContact CZ-CG 3.67Å; F331-M335 HydrophobicContact CZ-SD 4.38Å; F331-M335 WeakPolarHBondContact O-CB 3.36Å; F331-M335 WeakPolarHBondContact O-CG 3.12Å; F331-M335 PolarHBondContact O-N 3.4Å; Y332-M335 PolarHBondContact O-N 3.13Å; M335-L338 HydrophobicContact SD-CD1 4.22Å; M335-S339 VanDerWaalsContact O-CB 3.23Å; M335-S339 WeakPolarHBondContact O-CB 3.46Å; M335-S339 PolarHBondContact O-N 2.91Å
336	D	66.4	Low	60.5	Low	82 Å²	82	62.4 Å²	62.4	44%	0.439	38%	0.376	S	S	.	.	H	α-helix	trans	-74.1	-33.6	175.4	-70	-24.5	0	0	0	110.6	Q314 Y332 S340	Q314-D336 PolarHBondContact NE2-OD1 3.45Å; Y332-D336 WeakPolarHBondContact O-CB 3.15Å; Y332-D336 PolarHBondContact O-N 3.17Å; D336-S340 VanDerWaalsContact O-CB 3.31Å; D336-S340 WeakPolarHBondContact O-CB 3.28Å; D336-S340 PolarHBondContact O-N 3.47Å; D336-S340 PolarHBondContact O-OG 3.33Å
337	A	71.4	Confident	60.6	Low	60 Å²	60	62.2 Å²	62.2	50%	0.496	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-47.5	169.6	0	0	0	0	0	112.2	E333 E334 S340 S341	E333-A337 WeakPolarHBondContact O-CB 3.39Å; E333-A337 PolarHBondContact O-N 3.32Å; E334-A337 PolarHBondContact O-N 3.23Å; A337-S340 PolarHBondContact O-N 3.18Å; A337-S340 VanDerWaalsContact O-N 3.13Å; A337-S341 WeakPolarHBondContact O-CB 3.42Å; A337-S341 PolarHBondContact O-N 3.46Å
338	L	66.2	Low	60.4	Low	17 Å²	17	62.5 Å²	62.5	9%	0.089	38%	0.378	C	S	.	.	H	α-helix	trans	-59.8	-47.4	174.2	-77	167.4	0	0	0	111.7	R288 E334 M335 S340 S341 W342	R288-L338 HydrophobicContact CG-CD1 3.89Å; E334-L338 WeakPolarHBondContact O-CB 3.38Å; E334-L338 VanDerWaalsContact O-CG 3.26Å; E334-L338 WeakPolarHBondContact O-CG 3.31Å; E334-L338 PolarHBondContact O-N 3.37Å; M335-L338 HydrophobicContact SD-CD1 4.22Å; L338-S340 PolarHBondContact O-N 2.8Å; L338-S341 PolarHBondContact O-N 2.94Å; L338-W342 HydrophobicContact CB-CE3 4.06Å; L338-W342 HydrophobicContact CB-CH2 4.24Å; L338-W342 HydrophobicContact CB-CZ3 3.79Å; L338-W342 HydrophobicContact CD1-CH2 4.39Å; L338-W342 HydrophobicContact CD2-CH2 3.94Å; L338-W342 HydrophobicContact CD2-CZ2 3.99Å; L338-W342 HydrophobicContact CD2-CZ3 4.33Å; L338-W342 HydrophobicContact CG-CH2 4.43Å; L338-W342 HydrophobicContact CG-CZ3 4.46Å; L338-W342 PolarHBondContact O-N 3.15Å
339	S	66.6	Low	59.7	Low	11 Å²	11	61.4 Å²	61.4	8%	0.077	38%	0.378	C	S	.	.	H	α-helix	trans	-66.6	-15.6	176.7	-172.7	0	0	0	0	113.6	M335 A343	M335-S339 VanDerWaalsContact O-CB 3.23Å; M335-S339 WeakPolarHBondContact O-CB 3.46Å; M335-S339 PolarHBondContact O-N 2.91Å; S339-A343 VanDerWaalsContact O-CB 3.3Å; S339-A343 WeakPolarHBondContact O-CB 3.36Å
340	S	67.8	Low	58.9	Low	69 Å²	69	66.7 Å²	66.7	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-90.5	-40.1	172.9	-59	0	0	0	0	111.3	D336 A337 L338 A343 S344	D336-S340 VanDerWaalsContact O-CB 3.31Å; D336-S340 WeakPolarHBondContact O-CB 3.28Å; D336-S340 PolarHBondContact O-N 3.47Å; D336-S340 PolarHBondContact O-OG 3.33Å; A337-S340 PolarHBondContact O-N 3.18Å; A337-S340 VanDerWaalsContact O-N 3.13Å; L338-S340 PolarHBondContact O-N 2.8Å; S340-A343 PolarHBondContact O-N 3.04Å; S340-S344 PolarHBondContact O-N 3.11Å; S340-S344 PolarHBondContact O-OG 3.22Å
341	S	69	Low	57.6	Low	80 Å²	80	69.7 Å²	69.7	56%	0.559	43%	0.431	S	S	*	.	H	α-helix	trans	-60.7	-50.3	174.8	-179.8	0	0	0	0	111.7	A337 L338 A343 S344 A345	A337-S341 WeakPolarHBondContact O-CB 3.42Å; A337-S341 PolarHBondContact O-N 3.46Å; L338-S341 PolarHBondContact O-N 2.94Å; S341-A343 VanDerWaalsContact C-N 3.3Å; S341-A343 PolarHBondContact O-N 3.4Å; S341-S344 PolarHBondContact O-N 2.88Å; S341-A345 PolarHBondContact O-N 2.94Å
342	W	67.4	Low	56.1	Low	34 Å²	34	73.7 Å²	73.7	13%	0.129	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-72.4	-19.2	177.9	-65.1	-43.8	0	0	0	114.2	A291 E292 W295 F310 L338 S344 A345	A291-W342 HydrophobicContact CB-CH2 3.89Å; A291-W342 HydrophobicContact CB-CZ3 3.97Å; E292-W342 HydrophobicContact CG-CH2 3.88Å; E292-W342 HydrophobicContact CG-CZ2 3.82Å; W295-W342 HydrophobicContact CB-CZ2 4.46Å; W295-W342 AromaticContact CD1-NE1 3.99Å; W295-W342 AromaticContact CD2-CD1 3.97Å; W295-W342 HydrophobicContact CD2-CD2 4.39Å; W295-W342 HydrophobicContact CD2-CG 4.09Å; W295-W342 AromaticContact CE2-CD1 3.75Å; W295-W342 HydrophobicContact CE3-CB 4.17Å; W295-W342 HydrophobicContact CE3-CG 4.16Å; W295-W342 HydrophobicContact CH2-CB 4.05Å; W295-W342 HydrophobicContact CH2-CG 4.49Å; W295-W342 HydrophobicContact CZ2-CB 4.4Å; W295-W342 HydrophobicContact CZ2-CG 4.42Å; W295-W342 HydrophobicContact CZ3-CB 3.94Å; W295-W342 HydrophobicContact CZ3-CG 4.37Å; F310-W342 HydrophobicContact CE1-CZ3 4.27Å; F310-W342 AromaticContact CE2-CE3 3.63Å; F310-W342 HydrophobicContact CE2-CE3 3.63Å; F310-W342 AromaticContact CE2-CZ3 3.7Å; F310-W342 HydrophobicContact CE2-CZ3 3.7Å; F310-W342 AromaticContact CZ-CE3 3.82Å; F310-W342 HydrophobicContact CZ-CE3 3.82Å; F310-W342 HydrophobicContact CZ-CH2 4.46Å; F310-W342 AromaticContact CZ-CZ3 3.44Å; F310-W342 HydrophobicContact CZ-CZ3 3.44Å; F310-W342 VanDerWaalsContact CZ-CZ3 3.44Å; L338-W342 HydrophobicContact CB-CE3 4.06Å; L338-W342 HydrophobicContact CB-CH2 4.24Å; L338-W342 HydrophobicContact CB-CZ3 3.79Å; L338-W342 HydrophobicContact CD1-CH2 4.39Å; L338-W342 HydrophobicContact CD2-CH2 3.94Å; L338-W342 HydrophobicContact CD2-CZ2 3.99Å; L338-W342 HydrophobicContact CD2-CZ3 4.33Å; L338-W342 HydrophobicContact CG-CH2 4.43Å; L338-W342 HydrophobicContact CG-CZ3 4.46Å; L338-W342 PolarHBondContact O-N 3.15Å; W342-S344 PolarHBondContact O-N 2.85Å; W342-A345 PolarHBondContact O-N 3.04Å
343	A	59.4	Low	54.6	Low	24 Å²	24	79 Å²	79	20%	0.198	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-73	-14.8	172.1	0	0	0	0	0	113	P303 S339 S340 S341	P303-A343 HydrophobicContact CB-CB 4.22Å; S339-A343 VanDerWaalsContact O-CB 3.3Å; S339-A343 WeakPolarHBondContact O-CB 3.36Å; S340-A343 PolarHBondContact O-N 3.04Å; S341-A343 VanDerWaalsContact C-N 3.3Å; S341-A343 PolarHBondContact O-N 3.4Å
344	S	57.4	Low	53.4	Low	107 Å²	107	79.1 Å²	79.1	75%	0.748	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-106.1	2.9	176.2	-56.9	0	0	0	0	113.2	S340 S341 W342	S340-S344 PolarHBondContact O-N 3.11Å; S340-S344 PolarHBondContact O-OG 3.22Å; S341-S344 PolarHBondContact O-N 2.88Å; W342-S344 PolarHBondContact O-N 2.85Å
345	A	51.8	Low	51.7	Low	41 Å²	41	79.6 Å²	79.6	34%	0.339	53%	0.53	S	S	.	.	S	Bend	trans	-80	137.1	176.6	0	0	0	0	0	110.5	W295 S341 W342	W295-A345 HydrophobicContact CH2-CB 4.21Å; W295-A345 HydrophobicContact CZ2-CB 3.94Å; S341-A345 PolarHBondContact O-N 2.94Å; W342-A345 PolarHBondContact O-N 3.04Å
346	P	48.8	Very low	50	Low	102 Å²	102	86.9 Å²	86.9	66%	0.662	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-64.9	152.4	173.6	28.5	-34.5	0	0	0	110.7	M348	P346-M348 PolarHBondContact O-N 3.13Å
347	P	45.7	Very low	48.2	Very low	124 Å²	124	90.7 Å²	90.7	81%	0.805	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-59.9	129	177.2	25.8	-33.9	0	0	0	110.3	A349	P347-A349 PolarHBondContact O-N 2.87Å
348	M	42.6	Very low	46.1	Very low	153 Å²	153	91.4 Å²	91.4	75%	0.754	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-61.8	125.2	-178.2	-61.5	-102.4	70.2	0	0	110.2	P346	P346-M348 PolarHBondContact O-N 3.13Å
349	A	36.2	Very low	44.3	Very low	84 Å²	84	95.4 Å²	95.4	69%	0.694	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-67.3	152.5	177.1	0	0	0	0	0	111.2	P347 D351	P347-A349 PolarHBondContact O-N 2.87Å; A349-D351 PolarHBondContact O-N 2.98Å
350	S	41.2	Very low	42.4	Very low	121 Å²	121	102.3 Å²	102.3	85%	0.846	66%	0.657	S	S	*	*			trans	-92.4	79.2	-177.5	57.7	0	0	0	0	112
351	D	32.3	Very low	40.6	Very low	157 Å²	157	106.2 Å²	106.2	84%	0.84	67%	0.672	S	S	*	*			trans	-83.8	155.6	167.8	-68.4	-52	0	0	0	111.6	A349	A349-D351 PolarHBondContact O-N 2.98Å
352	A	30.2	Very low	38.7	Very low	87 Å²	87	111.1 Å²	111.1	72%	0.719	69%	0.685	S	S	*	*			trans	-147.2	-179.2	-165.3	0	0	0	0	0	113.3
353	V	30.9	Very low	36.8	Very low	137 Å²	137	114.5 Å²	114.5	83%	0.83	72%	0.721	S	S	*	*			trans	74	155.5	170.6	-171.5	0	0	0	0	113.8
354	P	39.2	Very low	35.2	Very low	117 Å²	117	116.9 Å²	116.9	76%	0.76	75%	0.748	S	S	*	*			cis	-100.7	-179.6	-14.6	9.3	15	0	0	0	112.1
355	G	28.4	Very low	33.8	Very low	64 Å²	64	120.2 Å²	120.2	66%	0.66	75%	0.751	S	S	*	*			cis	134.7	157.5	12.9	0	0	0	0	0	109.3
356	Q	30.5	Very low	32.6	Very low	154 Å²	154	124.6 Å²	124.6	72%	0.72	77%	0.769	S	S	*	*			cis	-117.9	-133.4	-9.6	-56.2	82.7	-113.3	0	0	108.6
357	E	28.8	Very low	31.6	Very low	162 Å²	162	125.7 Å²	125.7	76%	0.757	77%	0.769	S	S	*	*			cis	-160.1	147.2	-0.7	-149.5	136.3	-102	0	0	111.3
358	G	27.6	Very low	30.9	Very low	74 Å²	74	126.2 Å²	126.2	76%	0.763	76%	0.76	S	S	*	*			trans	75.7	136	168.8	0	0	0	0	0	117.6
359	S	28.2	Very low	30.2	Very low	101 Å²	101	126 Å²	126	71%	0.706	76%	0.757	S	S	*	*			cis	-162.6	125.4	-8	54.7	0	0	0	0	112.8
360	D	27.1	Very low	29.7	Very low	156 Å²	156	129.5 Å²	129.5	83%	0.834	76%	0.764	S	S	*	*			trans	69.5	158.1	138.8	-47.9	-27.8	0	0	0	124.7
361	I	29.6	Very low	29	Very low	152 Å²	152	127.5 Å²	127.5	78%	0.779	76%	0.763	S	S	*	*			trans	84.7	72.3	165.1	-41.8	-169.9	0	0	0	119
362	E	29.3	Very low	28.6	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	77%	0.766	S	S	*	*				65.7	139.5	116.3	-77.9	-169.9	126.1	0	0	126.3
363	A	27.1	Very low	29	Very low	105 Å²	105	130.1 Å²	130.1	87%	0.868	76%	0.764	S	S	*	*			trans	71.7	146.1	143.6	0	0	0	0	0	120.7
364	G	26.5	Very low	28.9	Very low	74 Å²	74	128.9 Å²	128.9	76%	0.763	76%	0.757	S	S	*	*			trans	163.1	-26.6	164.1	0	0	0	0	0	120.1
365	E	28.8	Very low	28.2	Very low	177 Å²	177	131.1 Å²	131.1	83%	0.827	76%	0.758	S	S	*	*			trans	48.5	148.7	164.5	-103.6	-173.7	134.2	0	0	123.6
366	L	26.6	Very low	28.2	Very low	134 Å²	134	134.3 Å²	134.3	70%	0.702	76%	0.764	S	S	*	*			trans	72.5	90	152.4	-64.3	169.3	0	0	0	122.8
367	N	28	Very low	28.2	Very low	124 Å²	124	135.9 Å²	135.9	66%	0.663	77%	0.771	S	S	*	*				60.6	143.1	105.7	-97.2	-30.4	0	0	0	124.6
368	H	30	Very low	27.9	Very low	136 Å²	136	136.4 Å²	136.4	63%	0.63	78%	0.779	S	S	*	*			trans	75.6	146.3	145.8	-70.7	20.2	0	0	0	118.1
369	Q	28.3	Very low	27.9	Very low	147 Å²	147	136.3 Å²	136.3	69%	0.687	78%	0.778	S	S	*	*			cis	-157.6	168.1	-13.6	-122.3	163.3	-0.9	0	0	113
370	N	26.2	Very low	27.8	Very low	158 Å²	158	138.3 Å²	138.3	85%	0.845	79%	0.786	S	S	*	*			trans	-42.6	155.9	177.7	-42.1	-24.5	0	0	0	117.6
371	G	25.7	Very low	27.9	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	78%	0.781	S	S	*	*			trans	177.2	96.7	163.3	0	0	0	0	0	116.6
372	E	24.5	Very low	27.6	Very low	194 Å²	194	136.8 Å²	136.8	91%	0.907	78%	0.784	S	S	*	*			trans	-95.1	176.5	151.6	-66.3	-174	102.9	0	0	108.4
373	P	38.8	Very low	27.5	Very low	105 Å²	105	131.4 Å²	131.4	68%	0.682	78%	0.777	S	S	*	*			cis	-138.9	-165.5	8.8	37.8	-14	0	0	0	115.5
374	T	26.8	Very low	27.5	Very low	112 Å²	112	131 Å²	131	69%	0.687	77%	0.774	S	S	*	*			trans	18.2	149.2	145.2	55.8	0	0	0	0	121.4
375	E	26.6	Very low	27.4	Very low	164 Å²	164	134.2 Å²	134.2	77%	0.766	77%	0.774	S	S	*	*			cis	-171.1	167.6	15.6	-123	165.4	-159.9	0	0	111.5
376	V	27.6	Very low	27.3	Very low	131 Å²	131	135.8 Å²	135.8	79%	0.794	77%	0.772	S	S	*	*			trans	56.9	176	162.2	-60.8	0	0	0	0	118.8
377	E	29.3	Very low	27.2	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	77%	0.773	S	S	*	*			cis	-136.3	174.1	6.2	-67	-176.3	121.8	0	0	114.1
378	D	24.5	Very low	27.1	Very low	174 Å²	174	138.7 Å²	138.7	93%	0.93	78%	0.783	S	S	*	*			trans	-18.1	161	165.6	-82.9	-3.7	0	0	0	125.4
379	G	26.9	Very low	26.9	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	79%	0.793	S	S	*	*			trans	174.3	139	161.7	0	0	0	0	0	115.2
380	T	26.1	Very low	26.7	Very low	142 Å²	142	143.3 Å²	143.3	87%	0.871	80%	0.801	S	S	*	*			trans	-146.3	177.3	-176.6	61.9	0	0	0	0	110.9
381	V	28.5	Very low	26.7	Very low	120 Å²	120	145.1 Å²	145.1	73%	0.727	80%	0.802	S	S	*	*			cis	-151.6	-153.5	14.2	74.6	0	0	0	0	111
382	D	23.9	Very low	26.6	Very low	156 Å²	156	151.9 Å²	151.9	83%	0.834	80%	0.803	S	S	*	*			trans	70.3	143.3	172.8	-63.3	-37.2	0	0	0	118.8
383	G	27.3	Very low	26.5	Very low	69 Å²	69	149.8 Å²	149.8	71%	0.711	80%	0.798	S	S	*	*			cis	171.4	130.2	-10	0	0	0	0	0	115.3
384	A	27	Very low	26	Very low	98 Å²	98	149.9 Å²	149.9	81%	0.81	80%	0.799	S	S	*	*			trans	71.2	112.1	157	0	0	0	0	0	123.7
385	D	24.8	Very low	25.9	Very low	140 Å²	140	148.4 Å²	148.4	75%	0.749	81%	0.806	S	S	*	*				89.1	134.7	121.1	-92	9.2	0	0	0	126.5
386	R	26.8	Very low	25.8	Very low	211 Å²	211	149.6 Å²	149.6	80%	0.796	81%	0.811	S	S	*	*			trans	72.8	147.8	155.8	-67.2	-179.7	-159.2	-157.7	1.7	119.5
387	D	24.2	Very low	25.6	Very low	135 Å²	135	151.2 Å²	151.2	72%	0.722	81%	0.81	S	S	*	*			cis	-143	148.8	3	-111	-26.4	0	0	0	110.4
388	E	24.9	Very low	25.3	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	81%	0.81	S	S	*	*			trans	-85	150.5	170.8	-69.4	-172.2	115.9	0	0	112.8
389	K	27.3	Very low	25.2	Very low	196 Å²	196	150.8 Å²	150.8	85%	0.852	80%	0.803	S	S	*	*			trans	-160.6	115.2	156.8	-116.3	151.1	-167.6	151.4	0	113.7
390	E	23.9	Very low	25.1	Very low	184 Å²	184	155.3 Å²	155.3	86%	0.86	81%	0.808	S	S	*	*			trans	-65	149	170.5	-57.5	177.5	93.4	0	0	112.4
391	F	24.3	Very low	25	Very low	196 Å²	196	153.5 Å²	153.5	86%	0.86	80%	0.797	S	S	*	*			trans	-141.3	84.4	158	-113	-82.3	0	0	0	113.4
392	R	23.9	Very low	24.8	Very low	220 Å²	220	152.7 Å²	152.7	83%	0.83	79%	0.789	S	S	*	*			trans	42.5	96.1	138	-166.2	179	-61.2	-155.1	-0.7	117.6
393	N	24.2	Very low	25	Very low	151 Å²	151	151.9 Å²	151.9	81%	0.807	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.8	127.1	168.7	-164.8	9.6	0	0	0	111.5
394	P	27	Very low	25.2	Very low	107 Å²	107	152.8 Å²	152.8	70%	0.695	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-76.5	143.1	173.7	30.9	-34.1	0	0	0	111.9
395	G	24.4	Very low	25.5	Very low	81 Å²	81	153.1 Å²	153.1	84%	0.835	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64.4	142.7	-168.4	0	0	0	0	0	115.5
396	Q	25.2	Very low	25.6	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-87.8	128.2	169.4	-68.7	-180	-39.6	0	0	110.5	V398	Q396-V398 PolarHBondContact O-N 2.91Å
397	E	23.1	Very low	26.1	Very low	165 Å²	165	149.7 Å²	149.7	77%	0.771	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-68.1	128	164.6	-66.5	-179.7	126	0	0	110	R399	E397-R399 PolarHBondContact O-N 3.06Å
398	V	23.6	Very low	26.5	Very low	142 Å²	142	147.2 Å²	147.2	86%	0.861	75%	0.751	S	S	*	*			trans	-68.6	105	172.1	179.2	0	0	0	0	108.9	Q396 I400	Q396-V398 PolarHBondContact O-N 2.91Å; V398-I400 PolarHBondContact O-N 3.36Å
399	R	22.9	Very low	26.8	Very low	210 Å²	210	145.2 Å²	145.2	79%	0.792	75%	0.746	S	S	*	*			trans	-80.6	115.6	172	-69.5	-173	175.8	-169.1	-1.4	110	E397 V401	E397-R399 PolarHBondContact O-N 3.06Å; R399-V401 PolarHBondContact O-N 2.88Å
400	I	23.2	Very low	26.9	Very low	166 Å²	166	144.2 Å²	144.2	85%	0.851	74%	0.737	S	S	*	*			trans	-57.3	121.9	168.4	-58.7	172.5	0	0	0	108.1	V398	V398-I400 PolarHBondContact O-N 3.36Å
401	V	23.9	Very low	27.1	Very low	104 Å²	104	139.4 Å²	139.4	63%	0.63	72%	0.717	S	S	*	*			trans	-82.9	119.8	178.8	178.9	0	0	0	0	109	R399 L403	R399-V401 PolarHBondContact O-N 2.88Å; V401-L403 PolarHBondContact O-N 3.46Å; V401-L403 VanDerWaalsContact O-N 3.11Å
402	D	24.9	Very low	28	Very low	104 Å²	104	134.1 Å²	134.1	56%	0.556	70%	0.698	S	S	*	*			trans	-69.7	103.8	171.7	-176.5	-16.4	0	0	0	109.5	S404 V405	D402-S404 PolarHBondContact O-N 3.31Å; D402-S404 VanDerWaalsContact O-N 3.09Å; D402-S404 WeakPolarHBondContact OD1-CB 3.49Å; D402-S404 PolarHBondContact OD1-N 3.22Å; D402-S404 PolarHBondContact OD1-OG 3.46Å; D402-S404 PolarHBondContact OD2-OG 3.48Å; D402-V405 HydrophobicContact CB-CG2 4.3Å; D402-V405 WeakPolarHBondContact O-CB 3.49Å; D402-V405 WeakPolarHBondContact O-CG2 3Å; D402-V405 PolarHBondContact O-N 2.81Å; D402-V405 VanDerWaalsContact O-N 3.15Å
403	L	27.2	Very low	28.6	Very low	139 Å²	139	129.7 Å²	129.7	73%	0.728	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-60.7	-16.1	-178.6	-79.1	159.5	0	0	0	113.7	V401 V405 L406	V401-L403 PolarHBondContact O-N 3.46Å; V401-L403 VanDerWaalsContact O-N 3.11Å; L403-V405 PolarHBondContact O-N 2.85Å; L403-L406 HydrophobicContact CD2-CD1 4.22Å; L403-L406 PolarHBondContact O-N 3.42Å
404	S	31.4	Very low	29.3	Very low	87 Å²	87	126.5 Å²	126.5	61%	0.608	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-67.3	-11.7	174.8	74	0	0	0	0	114	D402	D402-S404 PolarHBondContact O-N 3.31Å; D402-S404 VanDerWaalsContact O-N 3.09Å; D402-S404 WeakPolarHBondContact OD1-CB 3.49Å; D402-S404 PolarHBondContact OD1-N 3.22Å; D402-S404 PolarHBondContact OD1-OG 3.46Å; D402-S404 PolarHBondContact OD2-OG 3.48Å
405	V	33.5	Very low	29.7	Very low	105 Å²	105	125.2 Å²	125.2	64%	0.636	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-81.9	-26.8	-178.4	179.9	0	0	0	0	113.2	D402 L403	D402-V405 HydrophobicContact CB-CG2 4.3Å; D402-V405 WeakPolarHBondContact O-CB 3.49Å; D402-V405 WeakPolarHBondContact O-CG2 3Å; D402-V405 PolarHBondContact O-N 2.81Å; D402-V405 VanDerWaalsContact O-N 3.15Å; L403-V405 PolarHBondContact O-N 2.85Å
406	L	27.6	Very low	30.5	Very low	106 Å²	106	123.3 Å²	123.3	56%	0.555	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-39.9	-165.6	-70.6	176.4	0	0	0	115	L403	L403-L406 HydrophobicContact CD2-CD1 4.22Å; L403-L406 PolarHBondContact O-N 3.42Å
407	F	36.9	Very low	31.2	Very low	173 Å²	173	117.2 Å²	117.2	76%	0.759	59%	0.593	S	S	*	*			trans	-137.2	90.3	-174.1	-67.4	-75.6	0	0	0	115.5
408	P	32.8	Very low	31.9	Very low	83 Å²	83	112.6 Å²	112.6	54%	0.539	57%	0.572	S	S	.	*	S	Bend	trans	-123	136.8	156.4	36.2	-25.4	0	0	0	112.9
409	N	30.9	Very low	32.8	Very low	143 Å²	143	108 Å²	108	77%	0.765	54%	0.542	S	S	*	.	S	Bend	trans	79.6	-0.4	168.6	-38.2	-87.9	0	0	0	120.2
410	R	29.5	Very low	33.7	Very low	174 Å²	174	102.4 Å²	102.4	66%	0.657	52%	0.523	S	S	*	.	S	Bend	trans	-96.2	-62.6	175.9	-163.3	171.3	-176.3	172	0.5	113.5	D412 F413 E414	R410-D412 PolarHBondContact O-N 2.8Å; R410-D412 VanDerWaalsContact O-N 3.16Å; R410-F413 PolarHBondContact O-N 2.92Å; R410-E414 IonicContact NE-OE1 3.34Å; R410-E414 PolarHBondContact O-N 3.04Å
411	L	29.5	Very low	34.5	Very low	84 Å²	84	101 Å²	101	44%	0.44	51%	0.511	S	S	.	.	H	α-helix	trans	-47.3	-45.5	176.7	-123.6	72.1	0	0	0	112.3	F413 E414 I415	L411-F413 VanDerWaalsContact C-N 3.25Å; L411-F413 PolarHBondContact O-N 3.17Å; L411-E414 PolarHBondContact O-N 3.36Å; L411-E414 VanDerWaalsContact O-N 3.16Å; L411-I415 HydrophobicContact CB-CD1 4.25Å; L411-I415 HydrophobicContact CD2-CD1 4.15Å; L411-I415 HydrophobicContact CG-CD1 4.02Å; L411-I415 WeakPolarHBondContact O-CB 3.5Å; L411-I415 WeakPolarHBondContact O-CG1 3.37Å; L411-I415 PolarHBondContact O-N 3.41Å
412	D	41.8	Very low	35.1	Very low	85 Å²	85	101.9 Å²	101.9	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-55.6	-34.4	-179	-170.8	68.2	0	0	0	113.7	R410 K416	R410-D412 PolarHBondContact O-N 2.8Å; R410-D412 VanDerWaalsContact O-N 3.16Å; D412-K416 VanDerWaalsContact O-CB 3.23Å; D412-K416 WeakPolarHBondContact O-CB 3.45Å; D412-K416 VanDerWaalsContact O-CD 3.28Å; D412-K416 WeakPolarHBondContact O-CD 3.41Å; D412-K416 WeakPolarHBondContact O-CG 3.31Å; D412-K416 PolarHBondContact O-N 3.26Å; D412-K416 WeakPolarHBondContact OD1-CE 3.23Å; D412-K416 IonicContact OD1-NZ 3.37Å; D412-K416 PolarHBondContact OD1-NZ 3.38Å; D412-K416 IonicContact OD2-NZ 3.99Å; D412-K416 PolarHBondContact OD2-NZ 3.46Å
413	F	36.4	Very low	35.6	Very low	126 Å²	126	104.1 Å²	104.1	55%	0.553	52%	0.52	S	S	*	.	H	α-helix	trans	-79.3	-38.3	179.2	-176	-104.3	0	0	0	112.4	R410 L411 N417	R410-F413 PolarHBondContact O-N 2.92Å; L411-F413 VanDerWaalsContact C-N 3.25Å; L411-F413 PolarHBondContact O-N 3.17Å; F413-N417 WeakPolarHBondContact CD1-ND2 3.23Å; F413-N417 WeakPolarHBondContact CE1-ND2 3.48Å; F413-N417 WeakPolarHBondContact CZ-ND2 3.21Å; F413-N417 PolarHBondContact O-N 3.13Å; F413-N417 VanDerWaalsContact O-N 3.17Å; F413-N417 PolarHBondContact O-ND2 3.36Å
414	E	39.5	Very low	36.2	Very low	84 Å²	84	103 Å²	103	39%	0.393	51%	0.514	S	S	.	.	H	α-helix	trans	-73.8	-44.5	-178.4	-75.3	149.6	179	0	0	110.2	R410 L411 K416 N417 E418	R410-E414 IonicContact NE-OE1 3.34Å; R410-E414 PolarHBondContact O-N 3.04Å; L411-E414 PolarHBondContact O-N 3.36Å; L411-E414 VanDerWaalsContact O-N 3.16Å; E414-K416 PolarHBondContact O-N 3.06Å; E414-N417 PolarHBondContact O-N 3.42Å; E414-E418 PolarHBondContact O-N 3.19Å
415	I	36.4	Very low	36.1	Very low	81 Å²	81	108.5 Å²	108.5	42%	0.415	53%	0.527	S	S	.	.	H	α-helix	trans	-59	-45.4	172.4	-66.2	167	0	0	0	111.4	L411 N417 E418 I419	L411-I415 HydrophobicContact CB-CD1 4.25Å; L411-I415 HydrophobicContact CD2-CD1 4.15Å; L411-I415 HydrophobicContact CG-CD1 4.02Å; L411-I415 WeakPolarHBondContact O-CB 3.5Å; L411-I415 WeakPolarHBondContact O-CG1 3.37Å; L411-I415 PolarHBondContact O-N 3.41Å; I415-N417 VanDerWaalsContact C-N 3.32Å; I415-N417 PolarHBondContact O-N 2.82Å; I415-E418 PolarHBondContact O-N 2.78Å; I415-I419 HydrophobicContact CG2-CD1 3.75Å; I415-I419 HydrophobicContact CG2-CG1 4.49Å; I415-I419 WeakPolarHBondContact O-CG1 3.27Å; I415-I419 PolarHBondContact O-N 3.35Å; I415-I419 VanDerWaalsContact O-N 3.11Å
416	K	41.2	Very low	36.2	Very low	41 Å²	41	108 Å²	108	18%	0.178	51%	0.514	C	S	.	.	H	α-helix	trans	-64.1	-33.4	178.9	-77.5	171.3	-172.4	165.9	0	112.9	D412 E414 K420 W426 E431	D412-K416 VanDerWaalsContact O-CB 3.23Å; D412-K416 WeakPolarHBondContact O-CB 3.45Å; D412-K416 VanDerWaalsContact O-CD 3.28Å; D412-K416 WeakPolarHBondContact O-CD 3.41Å; D412-K416 WeakPolarHBondContact O-CG 3.31Å; D412-K416 PolarHBondContact O-N 3.26Å; D412-K416 WeakPolarHBondContact OD1-CE 3.23Å; D412-K416 IonicContact OD1-NZ 3.37Å; D412-K416 PolarHBondContact OD1-NZ 3.38Å; D412-K416 IonicContact OD2-NZ 3.99Å; D412-K416 PolarHBondContact OD2-NZ 3.46Å; E414-K416 PolarHBondContact O-N 3.06Å; K416-K420 WeakPolarHBondContact O-CD 3.43Å; K416-K420 WeakPolarHBondContact O-CG 3.37Å; K416-K420 PolarHBondContact O-N 2.96Å; K416-W426 HydrophobicContact CG-CH2 4.25Å; K416-W426 HydrophobicContact CG-CZ3 3.95Å; K416-E431 WeakPolarHBondContact CE-OE1 3.36Å; K416-E431 IonicContact NZ-OE1 2.91Å; K416-E431 PolarHBondContact NZ-OE1 2.94Å
417	N	39.9	Very low	36.6	Very low	59 Å²	59	107.7 Å²	107.7	32%	0.316	51%	0.513	S	S	.	.	H	α-helix	trans	-72	-33	177	-74.9	-42.7	0	0	0	112.9	F413 E414 I415 K420 K421	F413-N417 WeakPolarHBondContact CD1-ND2 3.23Å; F413-N417 WeakPolarHBondContact CE1-ND2 3.48Å; F413-N417 WeakPolarHBondContact CZ-ND2 3.21Å; F413-N417 PolarHBondContact O-N 3.13Å; F413-N417 VanDerWaalsContact O-N 3.17Å; F413-N417 PolarHBondContact O-ND2 3.36Å; E414-N417 PolarHBondContact O-N 3.42Å; I415-N417 VanDerWaalsContact C-N 3.32Å; I415-N417 PolarHBondContact O-N 2.82Å; N417-K420 WeakPolarHBondContact O-CB 3.41Å; N417-K420 PolarHBondContact O-N 2.64Å; N417-K421 PolarHBondContact O-N 2.93Å
418	E	37.6	Very low	36.7	Very low	68 Å²	68	106.4 Å²	106.4	32%	0.318	51%	0.514	S	S	.	.	H	α-helix	trans	-83.4	-35.2	-176.1	-133.6	68	158.7	0	0	112.5	W59 E414 I415 K420 K421	W59-E418 WeakPolarHBondContact CH2-OE1 3.31Å; W59-E418 HydrophobicContact CZ3-CG 4.39Å; W59-E418 WeakPolarHBondContact CZ3-OE1 3.31Å; E414-E418 PolarHBondContact O-N 3.19Å; I415-E418 PolarHBondContact O-N 2.78Å; E418-K420 PolarHBondContact O-N 3.42Å; E418-K420 VanDerWaalsContact O-N 3.15Å; E418-K421 HydrophobicContact CG-CD 4.31Å; E418-K421 WeakPolarHBondContact O-CB 3.45Å; E418-K421 PolarHBondContact O-N 3.2Å; E418-K421 IonicContact OE1-NZ 3.78Å; E418-K421 PolarHBondContact OE1-NZ 3.4Å; E418-K421 WeakPolarHBondContact OE2-CD 3.46Å; E418-K421 WeakPolarHBondContact OE2-CE 3.38Å; E418-K421 IonicContact OE2-NZ 2.64Å; E418-K421 PolarHBondContact OE2-NZ 3.37Å; E418-K421 VanDerWaalsContact OE2-NZ 3.11Å
419	I	41	Very low	36.9	Very low	45 Å²	45	106.7 Å²	106.7	23%	0.231	52%	0.518	C	S	.	.	H	α-helix	trans	-56	-30.6	164.9	-67.5	168	0	0	0	111.1	I415 K421 E422 W426	I415-I419 HydrophobicContact CG2-CD1 3.75Å; I415-I419 HydrophobicContact CG2-CG1 4.49Å; I415-I419 WeakPolarHBondContact O-CG1 3.27Å; I415-I419 PolarHBondContact O-N 3.35Å; I415-I419 VanDerWaalsContact O-N 3.11Å; I419-K421 VanDerWaalsContact C-N 3.34Å; I419-E422 PolarHBondContact O-N 3.34Å; I419-W426 HydrophobicContact CD1-CE3 4.35Å; I419-W426 HydrophobicContact CD1-CH2 4.14Å; I419-W426 HydrophobicContact CD1-CZ3 3.67Å; I419-W426 HydrophobicContact CG2-CE3 4.1Å; I419-W426 HydrophobicContact CG2-CZ3 4.37Å
420	K	41.9	Very low	37.3	Very low	93 Å²	93	104.7 Å²	104.7	40%	0.404	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.7	176.6	-72.8	166	-179.4	-126.3	0	114.7	K416 N417 E418	K416-K420 WeakPolarHBondContact O-CD 3.43Å; K416-K420 WeakPolarHBondContact O-CG 3.37Å; K416-K420 PolarHBondContact O-N 2.96Å; N417-K420 WeakPolarHBondContact O-CB 3.41Å; N417-K420 PolarHBondContact O-N 2.64Å; E418-K420 PolarHBondContact O-N 3.42Å; E418-K420 VanDerWaalsContact O-N 3.15Å
421	K	40.2	Very low	37.6	Very low	136 Å²	136	100.6 Å²	100.6	59%	0.591	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-44.2	165	-74.7	180	179.4	165.2	0	111.4	N417 E418 I419 N423	N417-K421 PolarHBondContact O-N 2.93Å; E418-K421 HydrophobicContact CG-CD 4.31Å; E418-K421 WeakPolarHBondContact O-CB 3.45Å; E418-K421 PolarHBondContact O-N 3.2Å; E418-K421 IonicContact OE1-NZ 3.78Å; E418-K421 PolarHBondContact OE1-NZ 3.4Å; E418-K421 WeakPolarHBondContact OE2-CD 3.46Å; E418-K421 WeakPolarHBondContact OE2-CE 3.38Å; E418-K421 IonicContact OE2-NZ 2.64Å; E418-K421 PolarHBondContact OE2-NZ 3.37Å; E418-K421 VanDerWaalsContact OE2-NZ 3.11Å; I419-K421 VanDerWaalsContact C-N 3.34Å; K421-N423 PolarHBondContact O-N 3.44Å
422	E	36.9	Very low	37.9	Very low	123 Å²	123	98.1 Å²	98.1	58%	0.575	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-3	-176.6	-65.8	-56	115.4	0	0	114.3	I419 L424	I419-E422 PolarHBondContact O-N 3.34Å; E422-L424 HydrophobicContact CB-CD1 4.3Å; E422-L424 HydrophobicContact CB-CG 4.33Å; E422-L424 PolarHBondContact O-N 3.08Å
423	N	35	Very low	37.6	Very low	152 Å²	152	98.9 Å²	98.9	81%	0.813	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	19.5	170.4	-146.4	12.8	0	0	0	114.4	K421	K421-N423 PolarHBondContact O-N 3.44Å
424	L	39.9	Very low	37.5	Very low	114 Å²	114	97.4 Å²	97.4	60%	0.597	49%	0.485	S	S	*	.			trans	-69.8	135.4	175.3	-68.6	168.8	0	0	0	110.4	E422	E422-L424 HydrophobicContact CB-CD1 4.3Å; E422-L424 HydrophobicContact CB-CG 4.33Å; E422-L424 PolarHBondContact O-N 3.08Å
425	K	30.2	Very low	37.4	Very low	204 Å²	204	99.2 Å²	99.2	89%	0.887	49%	0.493	S	S	*	.			trans	-71.5	141.9	174.7	-78.1	-174.8	175.5	-178.7	0	111
426	W	34.5	Very low	37.4	Very low	94 Å²	94	99.9 Å²	99.9	36%	0.356	49%	0.493	S	S	.	.			trans	-137.9	137.3	173.2	-157.7	-12.2	0	0	0	107.3	K416 I419	K416-W426 HydrophobicContact CG-CH2 4.25Å; K416-W426 HydrophobicContact CG-CZ3 3.95Å; I419-W426 HydrophobicContact CD1-CE3 4.35Å; I419-W426 HydrophobicContact CD1-CH2 4.14Å; I419-W426 HydrophobicContact CD1-CZ3 3.67Å; I419-W426 HydrophobicContact CG2-CE3 4.1Å; I419-W426 HydrophobicContact CG2-CZ3 4.37Å
427	D	36	Very low	37	Very low	100 Å²	100	100.3 Å²	100.3	54%	0.535	50%	0.504	S	S	.	.			trans	-102	127.9	177.1	-162	-50.4	0	0	0	110.3	S429 E430	D427-S429 PolarHBondContact O-N 2.98Å; D427-S429 VanDerWaalsContact O-N 3.08Å; D427-S429 WeakPolarHBondContact OD1-CB 3.12Å; D427-S429 PolarHBondContact OD1-N 2.88Å; D427-E430 PolarHBondContact O-N 2.96Å
428	D	38.8	Very low	36.6	Very low	146 Å²	146	102.8 Å²	102.8	78%	0.781	52%	0.517	S	S	*	.	H	α-helix	trans	-64.1	-12.2	-178.7	-68.8	-26.2	0	0	0	112.6	E430	D428-E430 VanDerWaalsContact C-N 3.31Å; D428-E430 PolarHBondContact O-N 3.32Å
429	S	37.6	Very low	36.5	Very low	89 Å²	89	105 Å²	105	62%	0.622	53%	0.527	S	S	*	.	H	α-helix	trans	-69	-24.9	175.5	-167.7	0	0	0	0	113.8	D427	D427-S429 PolarHBondContact O-N 2.98Å; D427-S429 VanDerWaalsContact O-N 3.08Å; D427-S429 WeakPolarHBondContact OD1-CB 3.12Å; D427-S429 PolarHBondContact OD1-N 2.88Å
430	E	38.7	Very low	36	Very low	100 Å²	100	111 Å²	111	47%	0.467	55%	0.547	S	S	.	.	H	α-helix	trans	-87.9	-34.8	-171.8	-62	177	148	0	0	112.9	D427 D428 G432 E433 I434	D427-E430 PolarHBondContact O-N 2.96Å; D428-E430 VanDerWaalsContact C-N 3.31Å; D428-E430 PolarHBondContact O-N 3.32Å; E430-G432 PolarHBondContact O-N 2.93Å; E430-E433 PolarHBondContact O-N 3.04Å; E430-I434 PolarHBondContact O-N 3.17Å; E430-I434 VanDerWaalsContact O-N 3.07Å
431	E	36.4	Very low	35.7	Very low	89 Å²	89	113.3 Å²	113.3	42%	0.416	56%	0.557	S	S	.	*	H	α-helix	trans	-55.2	-36.6	175.5	-170.5	-175.8	-126.7	0	0	110.8	K416 E433 H435	K416-E431 WeakPolarHBondContact CE-OE1 3.36Å; K416-E431 IonicContact NZ-OE1 2.91Å; K416-E431 PolarHBondContact NZ-OE1 2.94Å; E431-E433 VanDerWaalsContact C-N 3.34Å; E431-E433 PolarHBondContact O-N 3.1Å; E431-H435 WeakPolarHBondContact O-CB 3.1Å; E431-H435 PolarHBondContact O-N 3.47Å; E431-H435 VanDerWaalsContact O-N 3.08Å
432	G	35.5	Very low	35.2	Very low	32 Å²	32	111.2 Å²	111.2	33%	0.33	56%	0.559	S	S	.	*	H	α-helix	trans	-70.8	-17.7	175.6	0	0	0	0	0	115.5	E430 K436	E430-G432 PolarHBondContact O-N 2.93Å; G432-K436 VanDerWaalsContact O-CD 3.28Å; G432-K436 WeakPolarHBondContact O-CD 3.27Å; G432-K436 WeakPolarHBondContact O-CE 3.48Å; G432-K436 WeakPolarHBondContact O-CG 3.34Å; G432-K436 PolarHBondContact O-NZ 3.39Å
433	E	35.8	Very low	34.8	Very low	101 Å²	101	115.7 Å²	115.7	47%	0.472	57%	0.571	S	S	.	*	H	α-helix	trans	-90.1	-44.7	171.5	-76.7	-57.7	117	0	0	111.1	E430 E431 H435 K436 A437	E430-E433 PolarHBondContact O-N 3.04Å; E431-E433 VanDerWaalsContact C-N 3.34Å; E431-E433 PolarHBondContact O-N 3.1Å; E433-H435 VanDerWaalsContact C-N 3.3Å; E433-H435 PolarHBondContact O-N 3.19Å; E433-K436 CarbonylContact O-C 3.54Å; E433-K436 WeakPolarHBondContact O-CA 3.44Å; E433-K436 WeakPolarHBondContact O-CB 3.47Å; E433-K436 PolarHBondContact O-N 3.42Å; E433-K436 IonicContact OE1-NZ 2.78Å; E433-K436 PolarHBondContact OE1-NZ 2.84Å; E433-A437 PolarHBondContact O-N 3.12Å
434	I	34.8	Very low	34.5	Very low	95 Å²	95	111.4 Å²	111.4	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-55.5	-46.3	176.7	-63.4	165.7	0	0	0	110.5	E430 K436 A437 L438	E430-I434 PolarHBondContact O-N 3.17Å; E430-I434 VanDerWaalsContact O-N 3.07Å; I434-K436 VanDerWaalsContact C-N 3.25Å; I434-K436 PolarHBondContact O-N 2.85Å; I434-A437 PolarHBondContact O-N 3.04Å; I434-A437 VanDerWaalsContact O-N 3.13Å; I434-L438 HydrophobicContact CG2-CD1 4.09Å; I434-L438 PolarHBondContact O-N 3.45Å
435	H	35.8	Very low	34.1	Very low	121 Å²	121	111.9 Å²	111.9	56%	0.56	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-20.1	179.7	-153.2	-41.1	0	0	0	113.3	E431 E433 Q439	E431-H435 WeakPolarHBondContact O-CB 3.1Å; E431-H435 PolarHBondContact O-N 3.47Å; E431-H435 VanDerWaalsContact O-N 3.08Å; E433-H435 VanDerWaalsContact C-N 3.3Å; E433-H435 PolarHBondContact O-N 3.19Å; H435-Q439 WeakPolarHBondContact O-CG 3.27Å
436	K	37	Very low	33.7	Very low	95 Å²	95	111 Å²	111	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-81.9	-36.8	168.8	-68	172.4	-161.7	117.4	0	111.9	G432 E433 I434 Q439 R440	G432-K436 VanDerWaalsContact O-CD 3.28Å; G432-K436 WeakPolarHBondContact O-CD 3.27Å; G432-K436 WeakPolarHBondContact O-CE 3.48Å; G432-K436 WeakPolarHBondContact O-CG 3.34Å; G432-K436 PolarHBondContact O-NZ 3.39Å; E433-K436 CarbonylContact O-C 3.54Å; E433-K436 WeakPolarHBondContact O-CA 3.44Å; E433-K436 WeakPolarHBondContact O-CB 3.47Å; E433-K436 PolarHBondContact O-N 3.42Å; E433-K436 IonicContact OE1-NZ 2.78Å; E433-K436 PolarHBondContact OE1-NZ 2.84Å; I434-K436 VanDerWaalsContact C-N 3.25Å; I434-K436 PolarHBondContact O-N 2.85Å; K436-Q439 CarbonylContact O-C 3.56Å; K436-Q439 PolarHBondContact O-N 2.82Å; K436-R440 WeakPolarHBondContact O-CG 3.48Å; K436-R440 PolarHBondContact O-N 3.47Å
437	A	33.2	Very low	33.3	Very low	51 Å²	51	116.6 Å²	116.6	42%	0.421	59%	0.588	S	S	.	*	H	α-helix	trans	-63.3	-46	177.7	0	0	0	0	0	111.1	E433 I434 Q439 R440 K441	E433-A437 PolarHBondContact O-N 3.12Å; I434-A437 PolarHBondContact O-N 3.04Å; I434-A437 VanDerWaalsContact O-N 3.13Å; A437-Q439 VanDerWaalsContact C-N 3.33Å; A437-Q439 PolarHBondContact O-N 3.39Å; A437-R440 WeakPolarHBondContact O-CA 3.42Å; A437-R440 WeakPolarHBondContact O-CB 3.38Å; A437-R440 PolarHBondContact O-N 2.99Å; A437-K441 PolarHBondContact O-N 3.39Å
438	L	32.4	Very low	32.7	Very low	111 Å²	111	121.1 Å²	121.1	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-61.5	-38.4	173.8	-67.9	164.8	0	0	0	112.2	I434 R440 S442	I434-L438 HydrophobicContact CG2-CD1 4.09Å; I434-L438 PolarHBondContact O-N 3.45Å; L438-R440 VanDerWaalsContact C-N 3.28Å; L438-R440 PolarHBondContact O-N 3.3Å; L438-S442 WeakPolarHBondContact O-CB 3.12Å; L438-S442 PolarHBondContact O-N 3.24Å; L438-S442 PolarHBondContact O-OG 3.11Å; L438-S442 VanDerWaalsContact O-OG 3.08Å
439	Q	34.4	Very low	32	Very low	114 Å²	114	117.2 Å²	117.2	53%	0.533	59%	0.593	S	S	.	*	H	α-helix	trans	-74.6	-11.4	173	-75.7	-171.1	-0.4	0	0	114.8	H435 K436 A437 R443	H435-Q439 WeakPolarHBondContact O-CG 3.27Å; K436-Q439 CarbonylContact O-C 3.56Å; K436-Q439 PolarHBondContact O-N 2.82Å; A437-Q439 VanDerWaalsContact C-N 3.33Å; A437-Q439 PolarHBondContact O-N 3.39Å; Q439-R443 WeakPolarHBondContact O-CD 3.41Å; Q439-R443 WeakPolarHBondContact O-CG 3.15Å
440	R	31.2	Very low	31.4	Very low	170 Å²	170	122 Å²	122	64%	0.642	61%	0.606	S	S	*	*	H	α-helix	trans	-86	-49.4	169	-76.4	168.2	172.2	146.3	-6.1	110.3	K436 A437 L438 S442 R443 G444	K436-R440 WeakPolarHBondContact O-CG 3.48Å; K436-R440 PolarHBondContact O-N 3.47Å; A437-R440 WeakPolarHBondContact O-CA 3.42Å; A437-R440 WeakPolarHBondContact O-CB 3.38Å; A437-R440 PolarHBondContact O-N 2.99Å; L438-R440 VanDerWaalsContact C-N 3.28Å; L438-R440 PolarHBondContact O-N 3.3Å; R440-S442 PolarHBondContact O-N 3.41Å; R440-R443 PolarHBondContact O-N 3.05Å; R440-R443 VanDerWaalsContact O-N 3.12Å; R440-G444 PolarHBondContact O-N 3.17Å
441	K	34.5	Very low	30.8	Very low	142 Å²	142	124.4 Å²	124.4	62%	0.617	62%	0.621	S	S	*	*	H	α-helix	trans	-56.1	-46.3	174.5	-83.7	-169.4	172.3	-179.7	0	111.5	E106 A437 R443 G444	E106-K441 IonicContact OE1-NZ 3.56Å; E106-K441 PolarHBondContact OE1-NZ 2.87Å; A437-K441 PolarHBondContact O-N 3.39Å; K441-R443 PolarHBondContact O-N 3.32Å; K441-R443 VanDerWaalsContact O-N 3.07Å; K441-G444 PolarHBondContact O-N 3.21Å; K441-G444 VanDerWaalsContact O-N 3.08Å
442	S	29.6	Very low	30.3	Very low	92 Å²	92	128.2 Å²	128.2	64%	0.643	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-3.3	179.5	67.5	0	0	0	0	115.9	L438 R440	L438-S442 WeakPolarHBondContact O-CB 3.12Å; L438-S442 PolarHBondContact O-N 3.24Å; L438-S442 PolarHBondContact O-OG 3.11Å; L438-S442 VanDerWaalsContact O-OG 3.08Å; R440-S442 PolarHBondContact O-N 3.41Å
443	R	29.8	Very low	29.9	Very low	218 Å²	218	137.1 Å²	137.1	82%	0.823	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	1.8	172.7	-67.8	-176	66.1	175.5	-1.2	113.6	Q439 R440 K441	Q439-R443 WeakPolarHBondContact O-CD 3.41Å; Q439-R443 WeakPolarHBondContact O-CG 3.15Å; R440-R443 PolarHBondContact O-N 3.05Å; R440-R443 VanDerWaalsContact O-N 3.12Å; K441-R443 PolarHBondContact O-N 3.32Å; K441-R443 VanDerWaalsContact O-N 3.07Å
444	G	28.7	Very low	29.3	Very low	62 Å²	62	135.5 Å²	135.5	64%	0.639	68%	0.679	S	S	*	*			trans	-80.4	-14.6	178.6	0	0	0	0	0	114.8	R440 K441 F446	R440-G444 PolarHBondContact O-N 3.17Å; K441-G444 PolarHBondContact O-N 3.21Å; K441-G444 VanDerWaalsContact O-N 3.08Å; G444-F446 PolarHBondContact O-N 3.07Å
445	V	31.1	Very low	28.9	Very low	124 Å²	124	138 Å²	138	75%	0.752	69%	0.692	S	S	*	*			trans	-98.5	69.8	-172.2	-167.2	0	0	0	0	111.6
446	F	22.6	Very low	28.3	Very low	184 Å²	184	140.2 Å²	140.2	81%	0.807	70%	0.703	S	S	*	*	S	Bend	trans	-167.1	127.2	146.6	-114.3	-68	0	0	0	112.6	G444	G444-F446 PolarHBondContact O-N 3.07Å
447	W	24.4	Very low	27.7	Very low	212 Å²	212	141.7 Å²	141.7	80%	0.803	73%	0.726	S	S	*	*			trans	62.7	103.5	171	-80.3	112.5	0	0	0	120.1	A449	W447-A449 HydrophobicContact CE3-CB 3.64Å; W447-A449 HydrophobicContact CZ3-CB 4.05Å
448	H	23.6	Very low	27.2	Very low	195 Å²	195	146 Å²	146	90%	0.903	74%	0.737	S	S	*	*			trans	-88.5	101.5	147.6	-128.2	-78.9	0	0	0	108.1
449	A	25.4	Very low	27.1	Very low	64 Å²	64	146.3 Å²	146.3	53%	0.529	75%	0.745	S	S	.	*			trans	-156.9	144.7	169.7	0	0	0	0	0	112.4	W447	W447-A449 HydrophobicContact CE3-CB 3.64Å; W447-A449 HydrophobicContact CZ3-CB 4.05Å
450	E	24	Very low	26.5	Very low	189 Å²	189	145.8 Å²	145.8	88%	0.883	75%	0.75	S	S	*	*			trans	69.2	136.5	176.4	-118	54.5	-110.3	0	0	119.4
451	L	25.9	Very low	26.2	Very low	151 Å²	151	143.1 Å²	143.1	79%	0.791	76%	0.758	S	S	*	*			trans	-123	156.4	-168.3	-91.3	166.5	0	0	0	113.1
452	Q	26.7	Very low	25.7	Very low	170 Å²	170	147 Å²	147	79%	0.794	77%	0.769	S	S	*	*			trans	58.8	104	153.5	-70.5	177.5	-32.6	0	0	120.3
453	K	27.2	Very low	25.4	Very low	219 Å²	219	153.7 Å²	153.7	95%	0.952	78%	0.779	S	S	*	*			trans	174.3	136.8	131.2	-90.6	146.7	-171.4	171.2	0	108.1
454	G	23.8	Very low	25.2	Very low	66 Å²	66	151.8 Å²	151.8	68%	0.68	78%	0.78	S	S	*	*			cis	165.2	131.3	-9.1	0	0	0	0	0	110.9
455	L	25	Very low	24.9	Very low	148 Å²	148	154.7 Å²	154.7	78%	0.775	79%	0.789	S	S	*	*			trans	62.6	128.3	169.9	-82.5	68.5	0	0	0	120.6
456	E	23.7	Very low	24.5	Very low	167 Å²	167	160.4 Å²	160.4	78%	0.78	80%	0.797	S	S	*	*			trans	54.8	116.5	130.9	-61.4	166.9	-158.6	0	0	122.2
457	S	24	Very low	24.6	Very low	127 Å²	127	158.8 Å²	158.8	89%	0.888	80%	0.797	S	S	*	*				176.9	144.5	97.3	39.9	0	0	0	0	114.6
458	E	22.4	Very low	24.6	Very low	142 Å²	142	154 Å²	154	66%	0.664	80%	0.796	S	S	*	*			trans	-88.6	156.7	165.5	-117.5	-94.5	142.9	0	0	108.9	T460	E458-T460 WeakPolarHBondContact OE2-CB 3.36Å; E458-T460 WeakPolarHBondContact OE2-CG2 3.43Å; E458-T460 PolarHBondContact OE2-N 3.07Å; E458-T460 PolarHBondContact OE2-OG1 2.75Å
459	P	30.4	Very low	25.3	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	79%	0.794	S	S	*	*				-155.7	122.6	92.5	36.5	-15.1	0	0	0	118.6
460	T	23	Very low	25.1	Very low	103 Å²	103	151.3 Å²	151.3	63%	0.632	80%	0.803	S	S	*	*				14.4	120.2	124	23.8	0	0	0	0	121.9	E458	E458-T460 WeakPolarHBondContact OE2-CB 3.36Å; E458-T460 WeakPolarHBondContact OE2-CG2 3.43Å; E458-T460 PolarHBondContact OE2-N 3.07Å; E458-T460 PolarHBondContact OE2-OG1 2.75Å
461	S	23.8	Very low	25.1	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	80%	0.804	S	S	*	*			trans	171.6	139.1	138.3	-81.2	0	0	0	0	109.9
462	R	24	Very low	25	Very low	224 Å²	224	149.5 Å²	149.5	85%	0.845	80%	0.802	S	S	*	*			cis	78.5	91.6	11.1	-150.6	-176.5	-155.9	-156.8	7.8	118.4
463	R	23.8	Very low	24.9	Very low	231 Å²	231	149.9 Å²	149.9	87%	0.872	80%	0.804	S	S	*	*			trans	-165.8	118.5	145.7	-93.7	153.9	-147.2	-129.2	5.8	106.3
464	Q	25.7	Very low	24.8	Very low	178 Å²	178	148 Å²	148	83%	0.832	80%	0.798	S	S	*	*				72	126.4	64.7	-78.7	-171.6	-34	0	0	115.5
465	C	22.6	Very low	24.7	Very low	123 Å²	123	154.1 Å²	154.1	83%	0.831	81%	0.806	S	S	*	*			trans	-81.3	163.6	177.8	-48.6	0	0	0	0	112.7
466	R	22.8	Very low	24.6	Very low	245 Å²	245	153.4 Å²	153.4	93%	0.925	81%	0.808	S	S	*	*			trans	-140.8	168.3	158.8	-87.9	-167.8	171.1	-166.8	-3.4	110.3
467	N	25.2	Very low	25.3	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	81%	0.806	S	S	*	*			trans	-101.7	160	-157.7	-52.4	-23	0	0	0	114.2
468	S	24.5	Very low	25.2	Very low	113 Å²	113	150.3 Å²	150.3	79%	0.79	80%	0.802	S	S	*	*				22.7	165.8	129.9	-42.1	0	0	0	0	121.6
469	P	36.5	Very low	25.2	Very low	133 Å²	133	152.6 Å²	152.6	86%	0.864	81%	0.813	S	S	*	*			cis	-143.2	-171.6	14.8	44.3	-24.9	0	0	0	117.4
470	G	23	Very low	24.9	Very low	68 Å²	68	156.7 Å²	156.7	70%	0.701	82%	0.822	S	S	*	*			trans	119.8	137.8	162	0	0	0	0	0	114.7
471	E	23.7	Very low	25	Very low	195 Å²	195	161.1 Å²	161.1	91%	0.911	83%	0.833	S	S	*	*			cis	-145.9	-170.9	-8.3	-75.4	-167.5	118	0	0	110.8
472	S	22.7	Very low	25	Very low	108 Å²	108	163.9 Å²	163.9	76%	0.755	84%	0.835	S	S	*	*			trans	-58	165.8	-176.4	49.8	0	0	0	0	115.8
473	E	25	Very low	25	Very low	177 Å²	177	157.5 Å²	157.5	83%	0.827	83%	0.825	S	S	*	*			cis	-149	170.4	43.2	-67.4	-172.1	109.9	0	0	116
474	E	24.2	Very low	25.1	Very low	180 Å²	180	155 Å²	155	84%	0.841	82%	0.823	S	S	*	*			trans	-92	152.5	175.4	-56.2	174.2	95.5	0	0	113.9
475	K	23.7	Very low	25.1	Very low	195 Å²	195	154.6 Å²	154.6	85%	0.848	82%	0.82	S	S	*	*				-174.3	141.9	126.5	-100.3	145.3	-165.7	151.3	0	114.5
476	T	22	Very low	25.3	Very low	132 Å²	132	153.5 Å²	153.5	81%	0.81	82%	0.815	S	S	*	*			trans	-153.9	-174.3	166.9	68.5	0	0	0	0	107.1
477	P	38.5	Very low	25.3	Very low	115 Å²	115	151.9 Å²	151.9	75%	0.747	81%	0.814	S	S	*	*			cis	-129.7	158.9	-35.1	32.6	-16.1	0	0	0	114
478	S	21.3	Very low	25.5	Very low	114 Å²	114	150.8 Å²	150.8	80%	0.797	82%	0.817	S	S	*	*			trans	-167	124.3	149.5	41.9	0	0	0	0	108.6
479	Q	23.7	Very low	25.5	Very low	190 Å²	190	150 Å²	150	89%	0.888	82%	0.818	S	S	*	*				65.6	101.8	68.7	-77.2	-158.5	-9.5	0	0	115.3
480	E	23	Very low	25.1	Very low	203 Å²	203	154.2 Å²	154.2	95%	0.949	82%	0.816	S	S	*	*				-154.9	170.9	128.2	-126.4	176	-179.2	0	0	111.8
481	K	26.1	Very low	25.3	Very low	196 Å²	196	157.1 Å²	157.1	85%	0.852	82%	0.816	S	S	*	*			trans	-127.9	142.2	-173.9	-61.3	171.4	-178	168.9	0	110.9
482	M	23.3	Very low	25.6	Very low	172 Å²	172	158.1 Å²	158.1	85%	0.847	82%	0.817	S	S	*	*			trans	177.8	106.4	141.1	-98	163	65.8	0	0	107.3
483	S	24.1	Very low	25.9	Very low	91 Å²	91	157.3 Å²	157.3	64%	0.636	82%	0.817	S	S	*	*				56.6	109.9	85.2	73.8	0	0	0	0	114.9
484	H	25.1	Very low	26.1	Very low	179 Å²	179	154.5 Å²	154.5	83%	0.829	82%	0.816	S	S	*	*				-161.4	170.9	122.7	-115.7	-127.4	0	0	0	110.5
485	Q	25.3	Very low	26.6	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	81%	0.814	S	S	*	*			trans	-92.1	151.8	-159.1	-63.8	162.2	-55.6	0	0	114.8
486	S	28.2	Very low	26.8	Very low	101 Å²	101	151 Å²	151	71%	0.706	81%	0.811	S	S	*	*			trans	37.5	124.4	144.4	63.3	0	0	0	0	120.8
487	F	23.1	Very low	27.6	Very low	210 Å²	210	152.6 Å²	152.6	92%	0.921	81%	0.813	S	S	*	*				-150	139.4	117.4	-117.2	-78.2	0	0	0	110.6
488	C	27.7	Very low	27.4	Very low	127 Å²	127	153.4 Å²	153.4	86%	0.858	81%	0.81	S	S	*	*			trans	-110.6	115.6	179.6	-171.9	0	0	0	0	110
489	A	26.3	Very low	27.7	Very low	97 Å²	97	153.6 Å²	153.6	80%	0.802	81%	0.81	S	S	*	*			trans	-138.4	87.8	-174.5	0	0	0	0	0	112.5
490	R	27.5	Very low	28.4	Very low	221 Å²	221	148.2 Å²	148.2	83%	0.834	81%	0.806	S	S	*	*			trans	5.2	147.2	149.2	-101.8	179.3	162.3	135.6	0.9	122
491	D	27.2	Very low	28.8	Very low	128 Å²	128	147.2 Å²	147.2	68%	0.684	80%	0.799	S	S	*	*			trans	73.2	109.4	139.9	-58.6	-25.1	0	0	0	121.6
492	K	30.1	Very low	28.9	Very low	216 Å²	216	145.5 Å²	145.5	94%	0.939	80%	0.799	S	S	*	*			trans	-154.3	90	136.3	-105.5	151.9	-170.4	168.7	0	110.2
493	A	29.2	Very low	29.2	Very low	92 Å²	92	142.9 Å²	142.9	76%	0.76	80%	0.796	S	S	*	*			trans	-75.5	140.7	-179.3	0	0	0	0	0	112.6
494	C	27.7	Very low	29.4	Very low	118 Å²	118	142 Å²	142	80%	0.797	79%	0.79	S	S	*	*			trans	-80.6	128	-179.4	-173.6	0	0	0	0	112.3	H496	C494-H496 PolarHBondContact O-N 2.96Å
495	T	35.7	Very low	29.6	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	78%	0.776	S	S	*	*			trans	-94.7	55.8	-168	44.1	0	0	0	0	114.3
496	H	27.6	Very low	29.7	Very low	169 Å²	169	135.7 Å²	135.7	78%	0.782	77%	0.772	S	S	*	*			trans	-103.3	75.6	-176.9	-109.9	-133.7	0	0	0	114.9	C494 L498	C494-H496 PolarHBondContact O-N 2.96Å; H496-L498 VanDerWaalsContact C-N 3.34Å; H496-L498 PolarHBondContact O-N 3.34Å
497	I	39.4	Very low	29.9	Very low	166 Å²	166	136.9 Å²	136.9	85%	0.851	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	84	166.7	-53.8	177	0	0	0	109.5
498	L	34.3	Very low	30.3	Very low	133 Å²	133	134.7 Å²	134.7	70%	0.696	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.7	20.4	155.7	-110.4	169.2	0	0	0	115.2	H496 G500	H496-L498 VanDerWaalsContact C-N 3.34Å; H496-L498 PolarHBondContact O-N 3.34Å; L498-G500 VanDerWaalsContact C-N 3.34Å; L498-G500 PolarHBondContact O-N 3.15Å
499	C	27.7	Very low	30.3	Very low	117 Å²	117	133.5 Å²	133.5	79%	0.791	76%	0.76	S	S	*	*			trans	-77.8	83	170.4	-164.8	0	0	0	0	111	K501	C499-K501 VanDerWaalsContact C-N 3.28Å; C499-K501 PolarHBondContact O-N 2.99Å; C499-K501 VanDerWaalsContact O-N 3.11Å
500	G	37.7	Very low	30.6	Very low	78 Å²	78	134.6 Å²	134.6	80%	0.804	76%	0.759	S	S	*	*			trans	-82.4	60.6	176.3	0	0	0	0	0	113.3	L498	L498-G500 VanDerWaalsContact C-N 3.34Å; L498-G500 PolarHBondContact O-N 3.15Å
501	K	32.2	Very low	30.7	Very low	182 Å²	182	132 Å²	132	79%	0.791	76%	0.756	S	S	*	*	S	Bend	trans	-141.5	128.1	168.2	-71.9	-164.9	173	-164.2	0	109.6	C499 C503	C499-K501 VanDerWaalsContact C-N 3.28Å; C499-K501 PolarHBondContact O-N 2.99Å; C499-K501 VanDerWaalsContact O-N 3.11Å; K501-C503 PolarHBondContact O-N 3.06Å
502	N	26.9	Very low	30.7	Very low	159 Å²	159	135 Å²	135	85%	0.85	76%	0.763	S	S	*	*			trans	-67.1	122.3	169.8	-83.5	1.3	0	0	0	109	S504	N502-S504 PolarHBondContact O-N 2.84Å
503	C	30.8	Very low	31.3	Very low	118 Å²	118	130.8 Å²	130.8	80%	0.797	76%	0.757	S	S	*	*			trans	-83.7	97.9	163.3	-174	0	0	0	0	107.7	K501	K501-C503 PolarHBondContact O-N 3.06Å
504	S	27.8	Very low	31.4	Very low	72 Å²	72	131 Å²	131	50%	0.503	76%	0.759	S	S	.	*			trans	-139.8	52.1	179	59	0	0	0	0	111.9	N502	N502-S504 PolarHBondContact O-N 2.84Å
505	Q	29.3	Very low	32.2	Very low	113 Å²	113	133.5 Å²	133.5	53%	0.528	76%	0.764	S	S	.	*				-171.6	126.6	108.9	-101.1	-175.7	0	0	0	112.4
506	S	27.7	Very low	32.2	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	77%	0.769	S	S	*	*			trans	-144.6	114.1	139.9	58	0	0	0	0	105.3
507	V	31.9	Very low	33	Very low	126 Å²	126	135.9 Å²	135.9	76%	0.764	77%	0.771	S	S	*	*			trans	-66.5	136.9	-176.9	177.5	0	0	0	0	109.3	S509	V507-S509 PolarHBondContact O-N 3.28Å
508	H	32.4	Very low	33.3	Very low	165 Å²	165	136.8 Å²	136.8	76%	0.764	77%	0.771	S	S	*	*			trans	-68.5	95.5	172	-85.2	-63.1	0	0	0	110.7
509	S	26.9	Very low	34.4	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	78%	0.777	S	S	*	*			trans	-90.1	147.5	144	-142.4	0	0	0	0	107.9	V507	V507-S509 PolarHBondContact O-N 3.28Å
510	P	32.1	Very low	36.1	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	76%	0.764	S	S	*	*			trans	-70.8	139.2	-157.9	26	-34.3	0	0	0	113.6	K512	P510-K512 PolarHBondContact O-N 3.36Å
511	H	29.6	Very low	37.9	Very low	168 Å²	168	134.8 Å²	134.8	78%	0.778	74%	0.737	S	S	*	*			trans	-63	98.2	174.2	-75.3	-79	0	0	0	111.5
512	K	28.5	Very low	40.5	Very low	190 Å²	190	131.9 Å²	131.9	83%	0.826	73%	0.726	S	S	*	*			trans	-74.4	131.8	148.4	-79.3	-174.9	173.9	-180	0	108.2	P510 A514	P510-K512 PolarHBondContact O-N 3.36Å; K512-A514 VanDerWaalsContact C-N 3.34Å; K512-A514 PolarHBondContact O-N 3.13Å
513	P	42.4	Very low	43.4	Very low	127 Å²	127	124.3 Å²	124.3	83%	0.825	69%	0.686	S	S	*	*			trans	-77.5	83.8	178.4	31.4	-34.2	0	0	0	110.5	L515	P513-L515 PolarHBondContact O-N 3.14Å
514	A	30.6	Very low	45.9	Very low	97 Å²	97	123.8 Å²	123.8	80%	0.802	68%	0.681	S	S	*	*			trans	-75.6	107.3	167	0	0	0	0	0	109.3	K512 E516	K512-A514 VanDerWaalsContact C-N 3.34Å; K512-A514 PolarHBondContact O-N 3.13Å; A514-E516 PolarHBondContact O-N 3.15Å
515	L	44.7	Very low	48.7	Very low	171 Å²	171	125.8 Å²	125.8	90%	0.895	68%	0.682	S	S	*	*			trans	-77.2	93.1	170.4	-75.9	166.6	0	0	0	109.4	P513	P513-L515 PolarHBondContact O-N 3.14Å
516	E	35.3	Very low	51.5	Low	193 Å²	193	122.8 Å²	122.8	90%	0.902	67%	0.673	S	S	*	*			trans	-152.3	152.9	158.5	-122.1	161.5	-134.9	0	0	112.8	A514 E518	A514-E516 PolarHBondContact O-N 3.15Å; E516-E518 PolarHBondContact O-N 3.41Å
517	L	44.4	Very low	54.2	Low	157 Å²	157	119.9 Å²	119.9	82%	0.822	66%	0.659	S	S	*	*			trans	-97	96.6	-157.7	-178.4	66.9	0	0	0	112.2	K519	L517-K519 PolarHBondContact O-N 3.32Å
518	E	47	Very low	56.8	Low	184 Å²	184	119.3 Å²	119.3	86%	0.86	65%	0.646	S	S	*	*			trans	-56.4	124.2	159.8	-85.3	-135	137.7	0	0	109.4	E516 A520	E516-E518 PolarHBondContact O-N 3.41Å; E518-A520 PolarHBondContact O-N 3.29Å
519	K	56.1	Low	59.5	Low	190 Å²	190	115.5 Å²	115.5	83%	0.826	64%	0.635	S	S	*	*			trans	-82.9	56.2	-159.3	-151	168	-171.9	170.7	0	113.1	L517 S521	L517-K519 PolarHBondContact O-N 3.32Å; K519-S521 PolarHBondContact O-N 2.91Å; K519-S521 PolarHBondContact O-OG 2.97Å
520	A	63.6	Low	62.5	Low	61 Å²	61	112.7 Å²	112.7	50%	0.504	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-55.8	117.7	-177.7	0	0	0	0	0	111	E518 T529	E518-A520 PolarHBondContact O-N 3.29Å; A520-T529 HydrophobicContact CB-CG2 3.58Å
521	S	74.9	Confident	65.1	Low	35 Å²	35	112 Å²	112	25%	0.245	61%	0.608	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	117.6	-165.8	-52	0	0	0	0	111	K519 F530	K519-S521 PolarHBondContact O-N 2.91Å; K519-S521 PolarHBondContact O-OG 2.97Å; S521-F530 PolarHBondContact N-O 3.18Å; S521-F530 PolarHBondContact O-N 2.82Å
522	Q	87.3	Confident	67.9	Low	121 Å²	121	111.7 Å²	111.7	57%	0.565	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.5	141.7	-177.8	-161.5	177.9	23.6	0	0	112.4	G527	Q522-G527 WeakPolarHBondContact CG-O 3.41Å; Q522-G527 PolarHBondContact NE2-O 2.8Å
523	C	88.4	Confident	70.6	Confident	0 Å²	0	106.4 Å²	106.4	0%	0	59%	0.587	C	S	.	*	P	Polyproline II helix	trans	-77.1	120.3	170.2	-174.6	0	0	0	0	110.4	E525 G527 K528 F530 L536 H539	C523-E525 VanDerWaalsContact C-N 3.29Å; C523-E525 PolarHBondContact O-N 3.17Å; C523-G527 VanDerWaalsContact O-CA 3.31Å; C523-G527 WeakPolarHBondContact O-CA 3.4Å; C523-G527 PolarHBondContact O-N 2.79Å; C523-K528 HydrophobicContact CB-CB 4.44Å; C523-K528 WeakPolarHBondContact CB-O 3.39Å; C523-K528 PolarHBondContact N-O 3.14Å; C523-F530 HydrophobicContact CB-CE2 4.22Å; C523-L536 VanDerWaalsContact CA-CD1 3.49Å; C523-L536 HydrophobicContact CB-CD1 3.57Å; C523-H539 PolarHBondContact SG-NE2 2.99Å
524	P	83.6	Confident	72.7	Confident	107 Å²	107	103.7 Å²	103.7	70%	0.695	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-31.3	-176.6	25.9	-33.9	0	0	0	112.8
525	E	85.7	Confident	75.4	Confident	114 Å²	114	103.7 Å²	103.7	53%	0.533	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-20.9	-174	-67.3	-177.7	-111.9	0	0	114.9	C523 H543	C523-E525 VanDerWaalsContact C-N 3.29Å; C523-E525 PolarHBondContact O-N 3.17Å; E525-H543 VanDerWaalsContact CB-CE1 3.45Å; E525-H543 WeakPolarHBondContact CB-CE1 3.38Å; E525-H543 WeakPolarHBondContact OE1-CB 3.38Å; E525-H543 IonicContact OE1-CG 3.04Å; E525-H543 IonicContact OE1-ND1 3.31Å; E525-H543 VanDerWaalsContact OE2-CB 3.27Å; E525-H543 WeakPolarHBondContact OE2-CB 3.48Å; E525-H543 IonicContact OE2-CE1 3.17Å; E525-H543 IonicContact OE2-CG 3.36Å; E525-H543 VanDerWaalsContact OE2-CG 3.31Å; E525-H543 IonicContact OE2-ND1 3.44Å; E525-H543 PolarHBondContact OE2-ND1 3.31Å
526	C	88.3	Confident	77.5	Confident	51 Å²	51	96.5 Å²	96.5	35%	0.345	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	17.1	179.6	78.4	0	0	0	0	115	K528 H539	C526-K528 PolarHBondContact O-N 3.3Å; C526-K528 VanDerWaalsContact SG-CD 3.53Å; C526-H539 PolarHBondContact SG-NE2 3.49Å
527	G	85.1	Confident	79.9	Confident	39 Å²	39	91 Å²	91	40%	0.402	49%	0.493	S	S	.	.			trans	64.3	6	173.3	0	0	0	0	0	116.5	Q522 C523 T529	Q522-G527 WeakPolarHBondContact CG-O 3.41Å; Q522-G527 PolarHBondContact NE2-O 2.8Å; C523-G527 VanDerWaalsContact O-CA 3.31Å; C523-G527 WeakPolarHBondContact O-CA 3.4Å; C523-G527 PolarHBondContact O-N 2.79Å; G527-T529 PolarHBondContact O-N 3.18Å
528	K	86.3	Confident	82	Confident	114 Å²	114	88.4 Å²	88.4	50%	0.496	47%	0.472	S	S	.	.			trans	-74.9	125.6	-176.9	-73.3	175.1	-168.7	153.1	0	110.9	C523 C526 F530	C523-K528 HydrophobicContact CB-CB 4.44Å; C523-K528 WeakPolarHBondContact CB-O 3.39Å; C523-K528 PolarHBondContact N-O 3.14Å; C526-K528 PolarHBondContact O-N 3.3Å; C526-K528 VanDerWaalsContact SG-CD 3.53Å; K528-F530 HydrophobicContact CB-CE2 3.67Å; K528-F530 HydrophobicContact CB-CZ 3.95Å; K528-F530 VanDerWaalsContact O-CD2 3.31Å; K528-F530 WeakPolarHBondContact O-CD2 3.44Å; K528-F530 WeakPolarHBondContact O-CE2 3.49Å
529	T	89	Confident	83.9	Confident	85 Å²	85	80.4 Å²	80.4	52%	0.521	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.2	179.3	-43.7	0	0	0	0	111.6	A520 G527	A520-T529 HydrophobicContact CB-CG2 3.58Å; G527-T529 PolarHBondContact O-N 3.18Å
530	F	89.4	Confident	85.4	Confident	44 Å²	44	74.2 Å²	74.2	19%	0.193	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.8	179.3	-62.5	-89.7	0	0	0	110.8	S521 C523 K528 R532 L536 H539	S521-F530 PolarHBondContact N-O 3.18Å; S521-F530 PolarHBondContact O-N 2.82Å; C523-F530 HydrophobicContact CB-CE2 4.22Å; K528-F530 HydrophobicContact CB-CE2 3.67Å; K528-F530 HydrophobicContact CB-CZ 3.95Å; K528-F530 VanDerWaalsContact O-CD2 3.31Å; K528-F530 WeakPolarHBondContact O-CD2 3.44Å; K528-F530 WeakPolarHBondContact O-CE2 3.49Å; F530-R532 PolarHBondContact O-N 3.09Å; F530-L536 HydrophobicContact CB-CB 4.24Å; F530-L536 HydrophobicContact CD2-CB 3.97Å; F530-L536 HydrophobicContact CD2-CD1 4.03Å; F530-L536 HydrophobicContact CE2-CD1 4.24Å; F530-L536 HydrophobicContact CG-CB 4.24Å; F530-H539 HydrophobicContact CE1-CB 4.05Å; F530-H539 HydrophobicContact CE2-CB 4.09Å; F530-H539 AromaticContact CE2-CD2 3.23Å; F530-H539 WeakPolarHBondContact CE2-CD2 3.44Å; F530-H539 AromaticContact CE2-CG 3.84Å; F530-H539 HydrophobicContact CZ-CB 3.6Å; F530-H539 AromaticContact CZ-CD2 3.23Å; F530-H539 WeakPolarHBondContact CZ-CD2 3.21Å; F530-H539 AromaticContact CZ-CG 3.4Å; F530-H539 VanDerWaalsContact CZ-CG 3.4Å
531	S	88.1	Confident	86.6	Confident	105 Å²	105	74.5 Å²	74.5	73%	0.734	40%	0.397	S	S	*	.	S	Bend	trans	-72.5	-8.7	177.3	53.3	0	0	0	0	114.4
532	R	87.3	Confident	87.2	Confident	161 Å²	161	78.7 Å²	78.7	61%	0.608	42%	0.415	S	S	*	.	S	Bend	trans	-142.7	135.9	174.8	-66.3	-173.1	174.7	177.5	-3.2	110.3	F530 S534 Y535 L536	F530-R532 PolarHBondContact O-N 3.09Å; R532-S534 VanDerWaalsContact C-N 3.25Å; R532-S534 PolarHBondContact O-N 3.3Å; R532-Y535 HydrophobicContact CB-CD2 4.02Å; R532-Y535 HydrophobicContact CB-CE2 4.4Å; R532-Y535 HydrophobicContact CB-CG 4.43Å; R532-Y535 WeakPolarHBondContact O-CB 3.48Å; R532-Y535 PolarHBondContact O-N 3.32Å; R532-L536 PolarHBondContact O-N 3.44Å
533	S	85.4	Confident	87.2	Confident	78 Å²	78	76 Å²	76	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-56.6	-36.1	177.9	54.4	0	0	0	0	113	Y535 L536 V537	S533-Y535 VanDerWaalsContact C-N 3.26Å; S533-Y535 PolarHBondContact O-N 3.3Å; S533-L536 WeakPolarHBondContact O-CB 3.47Å; S533-L536 PolarHBondContact O-N 2.93Å; S533-L536 VanDerWaalsContact O-N 3.08Å; S533-V537 WeakPolarHBondContact O-CG2 3.44Å; S533-V537 PolarHBondContact O-N 3.08Å
534	S	85.8	Confident	87	Confident	71 Å²	71	79.9 Å²	79.9	50%	0.497	43%	0.426	S	S	.	.	H	α-helix	trans	-61.7	-29.5	175.3	58	0	0	0	0	113.8	R532 R538	R532-S534 VanDerWaalsContact C-N 3.25Å; R532-S534 PolarHBondContact O-N 3.3Å; S534-R538 WeakPolarHBondContact O-CB 3.44Å; S534-R538 PolarHBondContact O-N 3.49Å; S534-R538 VanDerWaalsContact O-N 3.14Å
535	Y	87.9	Confident	87.1	Confident	96 Å²	96	76.7 Å²	76.7	38%	0.376	41%	0.412	S	S	.	.	H	α-helix	trans	-77.4	-34.1	172.6	-63.5	-26.8	0	0	0	112.4	R532 S533 R538 H539	R532-Y535 HydrophobicContact CB-CD2 4.02Å; R532-Y535 HydrophobicContact CB-CE2 4.4Å; R532-Y535 HydrophobicContact CB-CG 4.43Å; R532-Y535 WeakPolarHBondContact O-CB 3.48Å; R532-Y535 PolarHBondContact O-N 3.32Å; S533-Y535 VanDerWaalsContact C-N 3.26Å; S533-Y535 PolarHBondContact O-N 3.3Å; Y535-R538 VanDerWaalsContact CD1-NH2 3.29Å; Y535-H539 VanDerWaalsContact O-CB 3.3Å; Y535-H539 WeakPolarHBondContact O-CB 3.4Å; Y535-H539 PolarHBondContact O-N 3.4Å
536	L	89.1	Confident	87.2	Confident	20 Å²	20	75.7 Å²	75.7	11%	0.105	41%	0.408	C	S	.	.	H	α-helix	trans	-63.2	-50.5	170.9	170.4	58.4	0	0	0	111.2	C523 F530 R532 S533 R538 H539 Q540	C523-L536 VanDerWaalsContact CA-CD1 3.49Å; C523-L536 HydrophobicContact CB-CD1 3.57Å; F530-L536 HydrophobicContact CB-CB 4.24Å; F530-L536 HydrophobicContact CD2-CB 3.97Å; F530-L536 HydrophobicContact CD2-CD1 4.03Å; F530-L536 HydrophobicContact CE2-CD1 4.24Å; F530-L536 HydrophobicContact CG-CB 4.24Å; R532-L536 PolarHBondContact O-N 3.44Å; S533-L536 WeakPolarHBondContact O-CB 3.47Å; S533-L536 PolarHBondContact O-N 2.93Å; S533-L536 VanDerWaalsContact O-N 3.08Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.29Å; L536-H539 CarbonylContact O-C 3.5Å; L536-H539 WeakPolarHBondContact O-CA 3.26Å; L536-H539 WeakPolarHBondContact O-CB 3.41Å; L536-H539 PolarHBondContact O-N 3.29Å; L536-Q540 HydrophobicContact CD1-CG 3.97Å; L536-Q540 HydrophobicContact CG-CG 4.47Å; L536-Q540 WeakPolarHBondContact O-CG 3.42Å; L536-Q540 PolarHBondContact O-N 3.23Å
537	V	85.9	Confident	87.3	Confident	79 Å²	79	79 Å²	79	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-58.6	-42.9	177.5	174.1	0	0	0	0	111.4	S533 H539 Q540	S533-V537 WeakPolarHBondContact O-CG2 3.44Å; S533-V537 PolarHBondContact O-N 3.08Å; V537-H539 VanDerWaalsContact C-N 3.29Å; V537-H539 PolarHBondContact O-N 3.04Å; V537-Q540 PolarHBondContact O-N 3.35Å
538	R	87	Confident	87.4	Confident	102 Å²	102	80.5 Å²	80.5	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-62.3	-35.7	173.7	179.8	172.1	62.3	157.2	-5.4	112.6	S534 Y535 L536 E560	S534-R538 WeakPolarHBondContact O-CB 3.44Å; S534-R538 PolarHBondContact O-N 3.49Å; S534-R538 VanDerWaalsContact O-N 3.14Å; Y535-R538 VanDerWaalsContact CD1-NH2 3.29Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.29Å; R538-E560 WeakPolarHBondContact CD-OE2 3.5Å; R538-E560 HydrophobicContact CG-CG 4.29Å; R538-E560 IonicContact CZ-OE2 3.11Å; R538-E560 IonicContact NE-OE2 3.9Å; R538-E560 IonicContact NH1-OE2 3.65Å; R538-E560 PolarHBondContact NH1-OE2 3.34Å
539	H	88.5	Confident	87.6	Confident	16 Å²	16	77.2 Å²	77.2	7%	0.074	41%	0.405	C	S	.	.	H	α-helix	trans	-73.2	-36.9	177	169.3	43.2	0	0	0	112.8	C523 C526 F530 Y535 L536 V537 R541 I542 H543	C523-H539 PolarHBondContact SG-NE2 2.99Å; C526-H539 PolarHBondContact SG-NE2 3.49Å; F530-H539 HydrophobicContact CE1-CB 4.05Å; F530-H539 HydrophobicContact CE2-CB 4.09Å; F530-H539 AromaticContact CE2-CD2 3.23Å; F530-H539 WeakPolarHBondContact CE2-CD2 3.44Å; F530-H539 AromaticContact CE2-CG 3.84Å; F530-H539 HydrophobicContact CZ-CB 3.6Å; F530-H539 AromaticContact CZ-CD2 3.23Å; F530-H539 WeakPolarHBondContact CZ-CD2 3.21Å; F530-H539 AromaticContact CZ-CG 3.4Å; F530-H539 VanDerWaalsContact CZ-CG 3.4Å; Y535-H539 VanDerWaalsContact O-CB 3.3Å; Y535-H539 WeakPolarHBondContact O-CB 3.4Å; Y535-H539 PolarHBondContact O-N 3.4Å; L536-H539 CarbonylContact O-C 3.5Å; L536-H539 WeakPolarHBondContact O-CA 3.26Å; L536-H539 WeakPolarHBondContact O-CB 3.41Å; L536-H539 PolarHBondContact O-N 3.29Å; V537-H539 VanDerWaalsContact C-N 3.29Å; V537-H539 PolarHBondContact O-N 3.04Å; H539-R541 PolarHBondContact O-N 2.87Å; H539-I542 VanDerWaalsContact O-CB 3.23Å; H539-I542 WeakPolarHBondContact O-CB 3.48Å; H539-I542 WeakPolarHBondContact O-CG1 3.39Å; H539-I542 PolarHBondContact O-N 3.27Å; H539-H543 AromaticContact CE1-CD2 3.78Å; H539-H543 AromaticContact CE1-NE2 3.42Å; H539-H543 PolarHBondContact CE1-NE2 3.09Å; H539-H543 AromaticContact NE2-CD2 3.99Å; H539-H543 AromaticContact NE2-NE2 3.51Å
540	Q	86.7	Confident	87.7	Confident	60 Å²	60	80.6 Å²	80.6	28%	0.28	41%	0.412	S	S	.	.	H	α-helix	trans	-58.9	-28.9	176.6	-74.1	170	-60.6	0	0	112.4	L536 V537 I542 H543 T544	L536-Q540 HydrophobicContact CD1-CG 3.97Å; L536-Q540 HydrophobicContact CG-CG 4.47Å; L536-Q540 WeakPolarHBondContact O-CG 3.42Å; L536-Q540 PolarHBondContact O-N 3.23Å; V537-Q540 PolarHBondContact O-N 3.35Å; Q540-I542 PolarHBondContact O-N 3.28Å; Q540-I542 VanDerWaalsContact O-N 3.09Å; Q540-H543 WeakPolarHBondContact O-CA 3.48Å; Q540-H543 WeakPolarHBondContact O-CB 3.41Å; Q540-H543 PolarHBondContact O-N 2.83Å; Q540-T544 PolarHBondContact O-N 3.2Å
541	R	89.1	Confident	87.8	Confident	66 Å²	66	78.7 Å²	78.7	25%	0.249	41%	0.405	C	S	.	.	H	α-helix	trans	-59.7	-18.7	170.7	-60.8	-175.3	-180	162.2	4.8	114.9	H539 H543 G545 E546 S559	H539-R541 PolarHBondContact O-N 2.87Å; R541-H543 VanDerWaalsContact C-N 3.34Å; R541-G545 CarbonylContact O-C 3.51Å; R541-G545 WeakPolarHBondContact O-CA 3.23Å; R541-G545 PolarHBondContact O-N 3.5Å; R541-E546 HydrophobicContact CB-CB 4Å; R541-E546 HydrophobicContact CG-CB 3.88Å; R541-E546 IonicContact NE-OE2 3.51Å; R541-E546 PolarHBondContact O-N 3.22Å; R541-S559 PolarHBondContact NH1-O 2.86Å
542	I	86.8	Confident	87.8	Confident	123 Å²	123	79.1 Å²	79.1	63%	0.631	41%	0.408	S	S	*	.	H	α-helix	trans	-73.7	-32.3	173	-56.3	-178.7	0	0	0	110.4	H539 Q540	H539-I542 VanDerWaalsContact O-CB 3.23Å; H539-I542 WeakPolarHBondContact O-CB 3.48Å; H539-I542 WeakPolarHBondContact O-CG1 3.39Å; H539-I542 PolarHBondContact O-N 3.27Å; Q540-I542 PolarHBondContact O-N 3.28Å; Q540-I542 VanDerWaalsContact O-N 3.09Å
543	H	87.4	Confident	87.9	Confident	65 Å²	65	76.8 Å²	76.8	30%	0.301	40%	0.404	S	S	.	.	H	α-helix	trans	-82.8	-52.8	178.7	-70.1	-89	0	0	0	112	E525 H539 Q540 R541 G545	E525-H543 VanDerWaalsContact CB-CE1 3.45Å; E525-H543 WeakPolarHBondContact CB-CE1 3.38Å; E525-H543 WeakPolarHBondContact OE1-CB 3.38Å; E525-H543 IonicContact OE1-CG 3.04Å; E525-H543 IonicContact OE1-ND1 3.31Å; E525-H543 VanDerWaalsContact OE2-CB 3.27Å; E525-H543 WeakPolarHBondContact OE2-CB 3.48Å; E525-H543 IonicContact OE2-CE1 3.17Å; E525-H543 IonicContact OE2-CG 3.36Å; E525-H543 VanDerWaalsContact OE2-CG 3.31Å; E525-H543 IonicContact OE2-ND1 3.44Å; E525-H543 PolarHBondContact OE2-ND1 3.31Å; H539-H543 AromaticContact CE1-CD2 3.78Å; H539-H543 AromaticContact CE1-NE2 3.42Å; H539-H543 PolarHBondContact CE1-NE2 3.09Å; H539-H543 AromaticContact NE2-CD2 3.99Å; H539-H543 AromaticContact NE2-NE2 3.51Å; Q540-H543 WeakPolarHBondContact O-CA 3.48Å; Q540-H543 WeakPolarHBondContact O-CB 3.41Å; Q540-H543 PolarHBondContact O-N 2.83Å; R541-H543 VanDerWaalsContact C-N 3.34Å; H543-G545 PolarHBondContact O-N 3.28Å; H543-G545 VanDerWaalsContact O-N 3.15Å
544	T	85.4	Confident	88	Confident	82 Å²	82	75.5 Å²	75.5	50%	0.503	39%	0.394	S	S	.	.	S	Bend	trans	-69.1	-10.3	176.9	66.1	0	0	0	0	113.2	Q540 E546	Q540-T544 PolarHBondContact O-N 3.2Å; T544-E546 PolarHBondContact O-N 2.75Å; T544-E546 WeakPolarHBondContact OG1-CB 3.14Å; T544-E546 WeakPolarHBondContact OG1-CG 3.36Å; T544-E546 PolarHBondContact OG1-OE1 2.79Å
545	G	85.7	Confident	88.1	Confident	39 Å²	39	74.6 Å²	74.6	40%	0.402	40%	0.396	S	S	.	.			trans	70.1	5.4	-176.3	0	0	0	0	0	114.3	R541 H543 K547	R541-G545 CarbonylContact O-C 3.51Å; R541-G545 WeakPolarHBondContact O-CA 3.23Å; R541-G545 PolarHBondContact O-N 3.5Å; H543-G545 PolarHBondContact O-N 3.28Å; H543-G545 VanDerWaalsContact O-N 3.15Å; G545-K547 WeakPolarHBondContact O-CG 3.46Å; G545-K547 PolarHBondContact O-N 3.05Å
546	E	87.1	Confident	88.2	Confident	94 Å²	94	75.9 Å²	75.9	44%	0.439	40%	0.404	S	S	.	.			trans	-54.1	127.9	-175.4	-93.3	172.5	-122.9	0	0	113.5	R541 T544	R541-E546 HydrophobicContact CB-CB 4Å; R541-E546 HydrophobicContact CG-CB 3.88Å; R541-E546 IonicContact NE-OE2 3.51Å; R541-E546 PolarHBondContact O-N 3.22Å; T544-E546 PolarHBondContact O-N 2.75Å; T544-E546 WeakPolarHBondContact OG1-CB 3.14Å; T544-E546 WeakPolarHBondContact OG1-CG 3.36Å; T544-E546 PolarHBondContact OG1-OE1 2.79Å
547	K	89.4	Confident	88.2	Confident	121 Å²	121	76.1 Å²	76.1	53%	0.526	41%	0.411	S	S	.	.			trans	-131.7	74	-179.3	-76.6	156	-179.7	165.6	0	110.8	G545 H549 G557 F558	G545-K547 WeakPolarHBondContact O-CG 3.46Å; G545-K547 PolarHBondContact O-N 3.05Å; K547-H549 PolarHBondContact O-N 3.14Å; K547-G557 WeakPolarHBondContact CD-O 3.23Å; K547-G557 WeakPolarHBondContact CG-O 3.35Å; K547-F558 CarbonylContact C-O 3.56Å; K547-F558 VanDerWaalsContact C-O 3.31Å; K547-F558 WeakPolarHBondContact CA-O 3.35Å
548	P	88.6	Confident	88.4	Confident	69 Å²	69	74.5 Å²	74.5	45%	0.448	40%	0.398	S	S	.	.			trans	-65	-21.5	-175.1	-21.8	35	0	0	0	113.8
549	H	89.9	Confident	88.5	Confident	45 Å²	45	71.2 Å²	71.2	21%	0.208	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	94.3	-174.6	-53	-61.8	0	0	0	110	K547 F558 R561 L564	K547-H549 PolarHBondContact O-N 3.14Å; H549-F558 HydrophobicContact CB-CB 4.47Å; H549-F558 PolarHBondContact N-O 3.02Å; H549-F558 VanDerWaalsContact N-O 3.07Å; H549-F558 PolarHBondContact O-N 3.39Å; H549-R561 PolarHBondContact CD2-N 3.12Å; H549-L564 HydrophobicContact CB-CB 4.17Å; H549-L564 HydrophobicContact CB-CD2 3.88Å
550	K	90.3	Very high	88.5	Confident	156 Å²	156	72.9 Å²	72.9	68%	0.678	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.9	178.3	-62.5	179.3	-176.5	175.7	0	111.3	K556	K550-K556 WeakPolarHBondContact CA-O 3.48Å
551	C	92.8	Very high	88.6	Confident	4 Å²	4	78.6 Å²	78.6	3%	0.027	42%	0.417	C	S	.	.			trans	-74.5	128.2	166.8	-177.3	0	0	0	0	109.6	G555 K556 F558 L564 H567	C551-G555 WeakPolarHBondContact O-CA 3.47Å; C551-G555 PolarHBondContact O-N 3.3Å; C551-K556 HydrophobicContact CB-CB 4.5Å; C551-K556 WeakPolarHBondContact CB-O 3.41Å; C551-K556 PolarHBondContact N-O 3.45Å; C551-F558 HydrophobicContact CB-CE2 4.44Å; C551-L564 HydrophobicContact CB-CD1 3.72Å; C551-H567 PolarHBondContact SG-NE2 3.25Å
552	S	88.5	Confident	88.4	Confident	115 Å²	115	78.7 Å²	78.7	80%	0.804	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-42.2	176.4	40.5	0	0	0	0	112.1
553	E	87.8	Confident	88.6	Confident	112 Å²	112	76.2 Å²	76.2	52%	0.523	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-29.3	-171.6	-62.8	179.7	-112.7	0	0	114.6	H571	E553-H571 VanDerWaalsContact OE1-CB 3.25Å; E553-H571 WeakPolarHBondContact OE1-CB 3.21Å; E553-H571 IonicContact OE1-CD2 3.91Å; E553-H571 IonicContact OE1-CG 2.66Å; E553-H571 VanDerWaalsContact OE2-CB 3.22Å; E553-H571 WeakPolarHBondContact OE2-CB 3.49Å; E553-H571 IonicContact OE2-CE1 3.69Å; E553-H571 IonicContact OE2-CG 3.48Å; E553-H571 VanDerWaalsContact OE2-CG 3.29Å; E553-H571 IonicContact OE2-ND1 2.72Å; E553-H571 PolarHBondContact OE2-ND1 2.97Å; E553-H571 VanDerWaalsContact OE2-ND1 3.11Å
554	C	89.3	Confident	88.7	Confident	50 Å²	50	74.3 Å²	74.3	34%	0.338	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	14.7	-178.4	70.6	0	0	0	0	115.1	K556 H567 H571	C554-K556 PolarHBondContact O-N 2.86Å; C554-K556 VanDerWaalsContact SG-CD 3.6Å; C554-H567 PolarHBondContact SG-NE2 3.01Å; C554-H571 PolarHBondContact SG-NE2 2.95Å
555	G	87	Confident	88.9	Confident	53 Å²	53	73.6 Å²	73.6	55%	0.546	40%	0.403	S	S	.	.			trans	66.7	-6.7	176	0	0	0	0	0	116.2	C551 G557	C551-G555 WeakPolarHBondContact O-CA 3.47Å; C551-G555 PolarHBondContact O-N 3.3Å; G555-G557 PolarHBondContact O-N 3.38Å
556	K	90	Very high	89	Confident	123 Å²	123	72.7 Å²	72.7	54%	0.535	39%	0.392	S	S	.	.			trans	-63.1	123.9	-174.1	-72.4	176.4	-169.9	156.2	0	111.4	K550 C551 C554 F558	K550-K556 WeakPolarHBondContact CA-O 3.48Å; C551-K556 HydrophobicContact CB-CB 4.5Å; C551-K556 WeakPolarHBondContact CB-O 3.41Å; C551-K556 PolarHBondContact N-O 3.45Å; C554-K556 PolarHBondContact O-N 2.86Å; C554-K556 VanDerWaalsContact SG-CD 3.6Å; K556-F558 HydrophobicContact CB-CE2 3.83Å; K556-F558 HydrophobicContact CB-CZ 4.15Å; K556-F558 WeakPolarHBondContact O-CD2 3.43Å; K556-F558 VanDerWaalsContact O-CE2 3.25Å; K556-F558 WeakPolarHBondContact O-CE2 3.46Å
557	G	90.1	Very high	89.2	Confident	24 Å²	24	69.2 Å²	69.2	25%	0.247	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	140	177.4	0	0	0	0	0	113.7	K547 G555	K547-G557 WeakPolarHBondContact CD-O 3.23Å; K547-G557 WeakPolarHBondContact CG-O 3.35Å; G555-G557 PolarHBondContact O-N 3.38Å
558	F	89.7	Confident	89.2	Confident	46 Å²	46	66 Å²	66	20%	0.202	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.4	176.9	-59.5	-93	0	0	0	110.8	K547 H549 C551 K556 E560 N563 L564 H567	K547-F558 CarbonylContact C-O 3.56Å; K547-F558 VanDerWaalsContact C-O 3.31Å; K547-F558 WeakPolarHBondContact CA-O 3.35Å; H549-F558 HydrophobicContact CB-CB 4.47Å; H549-F558 PolarHBondContact N-O 3.02Å; H549-F558 VanDerWaalsContact N-O 3.07Å; H549-F558 PolarHBondContact O-N 3.39Å; C551-F558 HydrophobicContact CB-CE2 4.44Å; K556-F558 HydrophobicContact CB-CE2 3.83Å; K556-F558 HydrophobicContact CB-CZ 4.15Å; K556-F558 WeakPolarHBondContact O-CD2 3.43Å; K556-F558 VanDerWaalsContact O-CE2 3.25Å; K556-F558 WeakPolarHBondContact O-CE2 3.46Å; F558-E560 VanDerWaalsContact C-N 3.32Å; F558-N563 HydrophobicContact CB-CB 4.33Å; F558-N563 HydrophobicContact CD1-CB 3.95Å; F558-N563 HydrophobicContact CG-CB 4.46Å; F558-L564 HydrophobicContact CB-CB 4.32Å; F558-L564 HydrophobicContact CD2-CB 4.05Å; F558-L564 HydrophobicContact CD2-CD1 3.92Å; F558-L564 HydrophobicContact CE2-CD1 4.11Å; F558-L564 HydrophobicContact CG-CB 4.29Å; F558-H567 HydrophobicContact CE1-CB 4.03Å; F558-H567 HydrophobicContact CE2-CB 4.14Å; F558-H567 AromaticContact CE2-CD2 3.22Å; F558-H567 WeakPolarHBondContact CE2-CD2 3.29Å; F558-H567 AromaticContact CE2-CG 3.85Å; F558-H567 HydrophobicContact CZ-CB 3.59Å; F558-H567 AromaticContact CZ-CD2 3.24Å; F558-H567 WeakPolarHBondContact CZ-CD2 3.46Å; F558-H567 AromaticContact CZ-CG 3.4Å; F558-H567 VanDerWaalsContact CZ-CG 3.4Å
559	S	88.8	Confident	89.3	Confident	33 Å²	33	65.3 Å²	65.3	23%	0.231	35%	0.352	C	S	.	.	S	Bend	trans	-76.5	-17.2	178.3	50.8	0	0	0	0	113.8	R541	R541-S559 PolarHBondContact NH1-O 2.86Å
560	E	88.3	Confident	89.3	Confident	51 Å²	51	67.1 Å²	67.1	24%	0.238	37%	0.367	C	S	.	.	S	Bend	trans	-137	141.8	-178.6	-58	-177.2	-109.3	0	0	111.7	R538 F558 S562 N563 L564	R538-E560 WeakPolarHBondContact CD-OE2 3.5Å; R538-E560 HydrophobicContact CG-CG 4.29Å; R538-E560 IonicContact CZ-OE2 3.11Å; R538-E560 IonicContact NE-OE2 3.9Å; R538-E560 IonicContact NH1-OE2 3.65Å; R538-E560 PolarHBondContact NH1-OE2 3.34Å; F558-E560 VanDerWaalsContact C-N 3.32Å; E560-S562 VanDerWaalsContact C-N 3.33Å; E560-S562 PolarHBondContact O-N 2.88Å; E560-N563 PolarHBondContact O-N 3.46Å; E560-N563 PolarHBondContact OE1-ND2 2.82Å; E560-L564 PolarHBondContact O-N 3.2Å
561	R	88.1	Confident	89.2	Confident	180 Å²	180	62.9 Å²	62.9	68%	0.679	35%	0.349	S	S	*	.	H	α-helix	trans	-61.6	-38.5	179.6	-176.2	-178.4	-74.2	172.8	-4.4	112.5	H549 N563 L564 T565	H549-R561 PolarHBondContact CD2-N 3.12Å; R561-N563 VanDerWaalsContact C-N 3.3Å; R561-N563 PolarHBondContact O-N 3.4Å; R561-L564 WeakPolarHBondContact O-CB 3.49Å; R561-L564 PolarHBondContact O-N 3.06Å; R561-L564 VanDerWaalsContact O-N 3.13Å; R561-T565 PolarHBondContact O-N 3.27Å; R561-T565 PolarHBondContact O-OG1 3.14Å
562	S	86.7	Confident	88.9	Confident	68 Å²	68	66.7 Å²	66.7	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-56.3	-41.7	175.6	47.3	0	0	0	0	112.8	E560 T565 A566	E560-S562 VanDerWaalsContact C-N 3.33Å; E560-S562 PolarHBondContact O-N 2.88Å; S562-T565 PolarHBondContact O-N 3.07Å; S562-A566 WeakPolarHBondContact O-CB 3.28Å; S562-A566 PolarHBondContact O-N 3.42Å
563	N	89.1	Confident	88.8	Confident	71 Å²	71	63.7 Å²	63.7	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-70.4	-33.8	178	-66.8	-33.8	0	0	0	111.8	F558 E560 R561 H567	F558-N563 HydrophobicContact CB-CB 4.33Å; F558-N563 HydrophobicContact CD1-CB 3.95Å; F558-N563 HydrophobicContact CG-CB 4.46Å; E560-N563 PolarHBondContact O-N 3.46Å; E560-N563 PolarHBondContact OE1-ND2 2.82Å; R561-N563 VanDerWaalsContact C-N 3.3Å; R561-N563 PolarHBondContact O-N 3.4Å; N563-H567 WeakPolarHBondContact O-CB 3.32Å; N563-H567 PolarHBondContact O-N 3.33Å; N563-H567 VanDerWaalsContact O-N 3.13Å
564	L	91.4	Very high	88.8	Confident	24 Å²	24	62.6 Å²	62.6	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-49.4	169.8	173.8	59.8	0	0	0	111.2	H549 C551 F558 E560 R561 A566 H567 L568	H549-L564 HydrophobicContact CB-CB 4.17Å; H549-L564 HydrophobicContact CB-CD2 3.88Å; C551-L564 HydrophobicContact CB-CD1 3.72Å; F558-L564 HydrophobicContact CB-CB 4.32Å; F558-L564 HydrophobicContact CD2-CB 4.05Å; F558-L564 HydrophobicContact CD2-CD1 3.92Å; F558-L564 HydrophobicContact CE2-CD1 4.11Å; F558-L564 HydrophobicContact CG-CB 4.29Å; E560-L564 PolarHBondContact O-N 3.2Å; R561-L564 WeakPolarHBondContact O-CB 3.49Å; R561-L564 PolarHBondContact O-N 3.06Å; R561-L564 VanDerWaalsContact O-N 3.13Å; L564-A566 VanDerWaalsContact C-N 3.33Å; L564-A566 PolarHBondContact O-N 3.4Å; L564-H567 CarbonylContact O-C 3.52Å; L564-H567 WeakPolarHBondContact O-CA 3.37Å; L564-H567 WeakPolarHBondContact O-CB 3.37Å; L564-H567 PolarHBondContact O-N 2.91Å; L564-L568 HydrophobicContact CD1-CD1 4.42Å; L564-L568 HydrophobicContact CD1-CD2 4.32Å; L564-L568 HydrophobicContact CD1-CG 4.1Å; L564-L568 HydrophobicContact CG-CD1 4.27Å; L564-L568 HydrophobicContact CG-CG 4.41Å; L564-L568 PolarHBondContact O-N 3.1Å
565	T	88.6	Confident	88.9	Confident	68 Å²	68	67 Å²	67	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-58.3	-43.3	177.7	-54.9	0	0	0	0	112	R561 S562 H567 L568 R569	R561-T565 PolarHBondContact O-N 3.27Å; R561-T565 PolarHBondContact O-OG1 3.14Å; S562-T565 PolarHBondContact O-N 3.07Å; T565-H567 PolarHBondContact O-N 3.16Å; T565-L568 PolarHBondContact O-N 3.19Å; T565-R569 PolarHBondContact O-N 3.25Å
566	A	88.5	Confident	88.9	Confident	20 Å²	20	67.8 Å²	67.8	17%	0.165	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-19.8	175.5	0	0	0	0	0	113.8	S562 L564	S562-A566 WeakPolarHBondContact O-CB 3.28Å; S562-A566 PolarHBondContact O-N 3.42Å; L564-A566 VanDerWaalsContact C-N 3.33Å; L564-A566 PolarHBondContact O-N 3.4Å
567	H	90.9	Very high	89	Confident	21 Å²	21	65.5 Å²	65.5	10%	0.097	35%	0.348	C	S	.	.	H	α-helix	trans	-87.8	-35	172.5	165.7	49.2	0	0	0	113	C551 C554 F558 N563 L564 T565 R569 T570 H571	C551-H567 PolarHBondContact SG-NE2 3.25Å; C554-H567 PolarHBondContact SG-NE2 3.01Å; F558-H567 HydrophobicContact CE1-CB 4.03Å; F558-H567 HydrophobicContact CE2-CB 4.14Å; F558-H567 AromaticContact CE2-CD2 3.22Å; F558-H567 WeakPolarHBondContact CE2-CD2 3.29Å; F558-H567 AromaticContact CE2-CG 3.85Å; F558-H567 HydrophobicContact CZ-CB 3.59Å; F558-H567 AromaticContact CZ-CD2 3.24Å; F558-H567 WeakPolarHBondContact CZ-CD2 3.46Å; F558-H567 AromaticContact CZ-CG 3.4Å; F558-H567 VanDerWaalsContact CZ-CG 3.4Å; N563-H567 WeakPolarHBondContact O-CB 3.32Å; N563-H567 PolarHBondContact O-N 3.33Å; N563-H567 VanDerWaalsContact O-N 3.13Å; L564-H567 CarbonylContact O-C 3.52Å; L564-H567 WeakPolarHBondContact O-CA 3.37Å; L564-H567 WeakPolarHBondContact O-CB 3.37Å; L564-H567 PolarHBondContact O-N 2.91Å; T565-H567 PolarHBondContact O-N 3.16Å; H567-R569 PolarHBondContact O-N 2.67Å; H567-T570 PolarHBondContact ND1-OG1 3.33Å; H567-T570 WeakPolarHBondContact O-CA 3.46Å; H567-T570 WeakPolarHBondContact O-CB 3.5Å; H567-T570 PolarHBondContact O-N 3.13Å; H567-T570 PolarHBondContact O-OG1 3.17Å; H567-H571 AromaticContact CE1-CD2 3.6Å; H567-H571 AromaticContact CE1-NE2 3.25Å; H567-H571 PolarHBondContact CE1-NE2 3.03Å; H567-H571 VanDerWaalsContact CE1-NE2 3.25Å; H567-H571 AromaticContact NE2-CD2 3.84Å; H567-H571 AromaticContact NE2-NE2 3.4Å; H567-H571 PolarHBondContact NE2-NE2 3.14Å
568	L	89.9	Confident	89.2	Confident	54 Å²	54	70.1 Å²	70.1	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-33.5	175.6	-69.4	171.7	0	0	0	111.6	L564 T565 T570 H571 T572	L564-L568 HydrophobicContact CD1-CD1 4.42Å; L564-L568 HydrophobicContact CD1-CD2 4.32Å; L564-L568 HydrophobicContact CD1-CG 4.1Å; L564-L568 HydrophobicContact CG-CD1 4.27Å; L564-L568 HydrophobicContact CG-CG 4.41Å; L564-L568 PolarHBondContact O-N 3.1Å; T565-L568 PolarHBondContact O-N 3.19Å; L568-T570 PolarHBondContact O-N 3.12Å; L568-H571 WeakPolarHBondContact O-CA 3.31Å; L568-H571 WeakPolarHBondContact O-CB 3.35Å; L568-H571 PolarHBondContact O-N 2.87Å; L568-T572 PolarHBondContact O-N 2.99Å
569	R	90.7	Very high	89.3	Confident	53 Å²	53	68 Å²	68	20%	0.2	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-13.6	169.2	-62.8	-174.1	175.5	154.3	1.3	115.7	T565 H567 G573 E574 Y577 N587	T565-R569 PolarHBondContact O-N 3.25Å; H567-R569 PolarHBondContact O-N 2.67Å; R569-G573 PolarHBondContact O-N 3.13Å; R569-E574 HydrophobicContact CB-CB 4.05Å; R569-E574 HydrophobicContact CG-CB 3.86Å; R569-E574 IonicContact NE-OE2 3.79Å; R569-E574 PolarHBondContact NE-OE2 3.47Å; R569-E574 PolarHBondContact O-N 3.38Å; R569-Y577 PolarHBondContact NH1-OH 3.35Å; R569-N587 HydrophobicContact CB-CB 4.12Å; R569-N587 PolarHBondContact NH1-O 2.84Å
570	T	88.9	Confident	89.4	Confident	83 Å²	83	70.4 Å²	70.4	51%	0.509	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.6	171.6	66.4	0	0	0	0	113.3	H567 L568	H567-T570 PolarHBondContact ND1-OG1 3.33Å; H567-T570 WeakPolarHBondContact O-CA 3.46Å; H567-T570 WeakPolarHBondContact O-CB 3.5Å; H567-T570 PolarHBondContact O-N 3.13Å; H567-T570 PolarHBondContact O-OG1 3.17Å; L568-T570 PolarHBondContact O-N 3.12Å
571	H	87.9	Confident	89.4	Confident	68 Å²	68	75.6 Å²	75.6	32%	0.315	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-54.1	170.6	-71.9	-83.4	0	0	0	111.1	E553 C554 H567 L568 G573	E553-H571 VanDerWaalsContact OE1-CB 3.25Å; E553-H571 WeakPolarHBondContact OE1-CB 3.21Å; E553-H571 IonicContact OE1-CD2 3.91Å; E553-H571 IonicContact OE1-CG 2.66Å; E553-H571 VanDerWaalsContact OE2-CB 3.22Å; E553-H571 WeakPolarHBondContact OE2-CB 3.49Å; E553-H571 IonicContact OE2-CE1 3.69Å; E553-H571 IonicContact OE2-CG 3.48Å; E553-H571 VanDerWaalsContact OE2-CG 3.29Å; E553-H571 IonicContact OE2-ND1 2.72Å; E553-H571 PolarHBondContact OE2-ND1 2.97Å; E553-H571 VanDerWaalsContact OE2-ND1 3.11Å; C554-H571 PolarHBondContact SG-NE2 2.95Å; H567-H571 AromaticContact CE1-CD2 3.6Å; H567-H571 AromaticContact CE1-NE2 3.25Å; H567-H571 PolarHBondContact CE1-NE2 3.03Å; H567-H571 VanDerWaalsContact CE1-NE2 3.25Å; H567-H571 AromaticContact NE2-CD2 3.84Å; H567-H571 AromaticContact NE2-NE2 3.4Å; H567-H571 PolarHBondContact NE2-NE2 3.14Å; L568-H571 WeakPolarHBondContact O-CA 3.31Å; L568-H571 WeakPolarHBondContact O-CB 3.35Å; L568-H571 PolarHBondContact O-N 2.87Å; H571-G573 PolarHBondContact O-N 2.65Å; H571-G573 VanDerWaalsContact O-N 3.14Å
572	T	86.6	Confident	89.5	Confident	83 Å²	83	69.4 Å²	69.4	51%	0.509	39%	0.392	S	S	.	.	S	Bend	trans	-67.7	-12.6	178.9	63.6	0	0	0	0	113.7	L568 E574	L568-T572 PolarHBondContact O-N 2.99Å; T572-E574 WeakPolarHBondContact CB-OE1 3.37Å; T572-E574 PolarHBondContact O-N 3.1Å; T572-E574 VanDerWaalsContact OG1-CD 3.3Å; T572-E574 WeakPolarHBondContact OG1-CG 3.42Å; T572-E574 PolarHBondContact OG1-OE1 3.24Å
573	G	87.4	Confident	89.6	Confident	52 Å²	52	68 Å²	68	54%	0.536	39%	0.389	S	S	.	.			trans	72.7	4.1	-176.9	0	0	0	0	0	114.4	R569 H571 R575	R569-G573 PolarHBondContact O-N 3.13Å; H571-G573 PolarHBondContact O-N 2.65Å; H571-G573 VanDerWaalsContact O-N 3.14Å; G573-R575 WeakPolarHBondContact O-CG 3.3Å
574	E	88.1	Confident	89.7	Confident	89 Å²	89	70.7 Å²	70.7	42%	0.416	40%	0.397	S	S	.	.			trans	-54.6	132.7	179.6	-85.9	167	-114.7	0	0	113.5	R569 T572 N587	R569-E574 HydrophobicContact CB-CB 4.05Å; R569-E574 HydrophobicContact CG-CB 3.86Å; R569-E574 IonicContact NE-OE2 3.79Å; R569-E574 PolarHBondContact NE-OE2 3.47Å; R569-E574 PolarHBondContact O-N 3.38Å; T572-E574 WeakPolarHBondContact CB-OE1 3.37Å; T572-E574 PolarHBondContact O-N 3.1Å; T572-E574 VanDerWaalsContact OG1-CD 3.3Å; T572-E574 WeakPolarHBondContact OG1-CG 3.42Å; T572-E574 PolarHBondContact OG1-OE1 3.24Å; E574-N587 WeakPolarHBondContact O-CB 3.29Å
575	R	89.4	Confident	89.8	Confident	144 Å²	144	71 Å²	71	54%	0.543	40%	0.401	S	S	.	.			trans	-133.7	70.7	177.3	-61.6	171.4	84.3	101.4	4.3	110.9	G573 Y577 S585 F586	G573-R575 WeakPolarHBondContact O-CG 3.3Å; R575-Y577 PolarHBondContact O-N 3.31Å; R575-S585 PolarHBondContact NE-O 3.2Å; R575-S585 PolarHBondContact NH2-O 2.93Å; R575-S585 VanDerWaalsContact O-CB 3.3Å; R575-S585 WeakPolarHBondContact O-CB 3.28Å; R575-F586 CarbonylContact C-O 3.56Å; R575-F586 VanDerWaalsContact CA-O 3.25Å; R575-F586 WeakPolarHBondContact CA-O 3.44Å
576	P	88.6	Confident	89.9	Confident	69 Å²	69	69.6 Å²	69.6	45%	0.448	39%	0.389	S	S	.	.			trans	-68.3	-16.6	-170.6	-21.9	35.9	0	0	0	115.1
577	Y	92	Very high	89.9	Confident	75 Å²	75	70.4 Å²	70.4	29%	0.294	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	91	-173.6	-52.1	-72.7	0	0	0	110.5	R569 R575 S585 F586 N587	R569-Y577 PolarHBondContact NH1-OH 3.35Å; R575-Y577 PolarHBondContact O-N 3.31Å; Y577-S585 CarbonylContact O-C 3.31Å; Y577-S585 WeakPolarHBondContact O-CA 3.46Å; Y577-F586 WeakPolarHBondContact CD2-O 3.37Å; Y577-F586 PolarHBondContact N-O 3.04Å; Y577-F586 PolarHBondContact O-N 3.18Å; Y577-N587 WeakPolarHBondContact CE2-O 3.37Å
578	Q	93	Very high	89.8	Confident	121 Å²	121	73.1 Å²	73.1	57%	0.565	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	142.9	179.5	-164.3	167.6	26.1	0	0	113	G583 S585 L592	Q578-G583 WeakPolarHBondContact CG-O 3.44Å; Q578-G583 PolarHBondContact NE2-O 2.84Å; Q578-S585 WeakPolarHBondContact CG-OG 3.48Å; Q578-L592 WeakPolarHBondContact O-CD2 3.41Å
579	C	93.5	Very high	89.8	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.007	41%	0.41	C	S	.	.			trans	-91.4	104.2	172	-167.1	0	0	0	0	110.8	Q581 C582 G583 K584 L592 H599	C579-Q581 PolarHBondContact O-N 3.4Å; C579-C582 PolarHBondContact O-N 2.84Å; C579-G583 WeakPolarHBondContact O-CA 3.3Å; C579-G583 PolarHBondContact O-N 3.23Å; C579-K584 VanDerWaalsContact CB-O 3.28Å; C579-K584 WeakPolarHBondContact CB-O 3.46Å; C579-K584 PolarHBondContact N-O 3.44Å; C579-L592 HydrophobicContact CB-CD1 3.52Å; C579-H599 PolarHBondContact SG-NE2 2.97Å
580	G	90	Very high	89.7	Confident	84 Å²	84	73.7 Å²	73.7	87%	0.866	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.1	179.9	0	0	0	0	0	115
581	Q	88.8	Confident	89.8	Confident	159 Å²	159	71.9 Å²	71.9	74%	0.743	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.3	178.1	-71.5	-70.2	-29.2	0	0	114.7	C579	C579-Q581 PolarHBondContact O-N 3.4Å
582	C	90.4	Very high	90	Very high	50 Å²	50	69.6 Å²	69.6	34%	0.338	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.3	14.6	-177.6	69.3	0	0	0	0	115.5	C579 K584 H595 H599	C579-C582 PolarHBondContact O-N 2.84Å; C582-K584 PolarHBondContact O-N 3.45Å; C582-H595 PolarHBondContact SG-NE2 3.01Å; C582-H599 PolarHBondContact SG-NE2 3.36Å; C582-H599 VanDerWaalsContact SG-NE2 3.42Å
583	G	88.3	Confident	90.2	Very high	39 Å²	39	69.5 Å²	69.5	40%	0.402	40%	0.397	S	S	.	.			trans	66.5	-8	-179.1	0	0	0	0	0	116.3	Q578 C579 S585	Q578-G583 WeakPolarHBondContact CG-O 3.44Å; Q578-G583 PolarHBondContact NE2-O 2.84Å; C579-G583 WeakPolarHBondContact O-CA 3.3Å; C579-G583 PolarHBondContact O-N 3.23Å; G583-S585 PolarHBondContact O-N 2.85Å; G583-S585 PolarHBondContact O-OG 3.26Å
584	K	91.7	Very high	90.3	Very high	128 Å²	128	69 Å²	69	56%	0.557	38%	0.383	S	S	*	.			trans	-71.3	120.6	-173.3	-69.9	174.7	-175.5	168.8	0	111.9	C579 C582 F586	C579-K584 VanDerWaalsContact CB-O 3.28Å; C579-K584 WeakPolarHBondContact CB-O 3.46Å; C579-K584 PolarHBondContact N-O 3.44Å; C582-K584 PolarHBondContact O-N 3.45Å; K584-F586 HydrophobicContact CB-CE2 4.07Å; K584-F586 HydrophobicContact CB-CZ 4.39Å; K584-F586 WeakPolarHBondContact O-CD2 3.45Å; K584-F586 VanDerWaalsContact O-CE2 3.23Å; K584-F586 WeakPolarHBondContact O-CE2 3.21Å
585	S	91.8	Very high	90.4	Very high	31 Å²	31	66 Å²	66	22%	0.217	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	153.7	-179.7	-43.6	0	0	0	0	113.7	R575 Y577 Q578 G583	R575-S585 PolarHBondContact NE-O 3.2Å; R575-S585 PolarHBondContact NH2-O 2.93Å; R575-S585 VanDerWaalsContact O-CB 3.3Å; R575-S585 WeakPolarHBondContact O-CB 3.28Å; Y577-S585 CarbonylContact O-C 3.31Å; Y577-S585 WeakPolarHBondContact O-CA 3.46Å; Q578-S585 WeakPolarHBondContact CG-OG 3.48Å; G583-S585 PolarHBondContact O-N 2.85Å; G583-S585 PolarHBondContact O-OG 3.26Å
586	F	90.9	Very high	90.5	Very high	38 Å²	38	63.1 Å²	63.1	17%	0.167	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.9	-178.3	-61.1	-94.3	0	0	0	111.4	R575 Y577 K584 L592 H595	R575-F586 CarbonylContact C-O 3.56Å; R575-F586 VanDerWaalsContact CA-O 3.25Å; R575-F586 WeakPolarHBondContact CA-O 3.44Å; Y577-F586 WeakPolarHBondContact CD2-O 3.37Å; Y577-F586 PolarHBondContact N-O 3.04Å; Y577-F586 PolarHBondContact O-N 3.18Å; K584-F586 HydrophobicContact CB-CE2 4.07Å; K584-F586 HydrophobicContact CB-CZ 4.39Å; K584-F586 WeakPolarHBondContact O-CD2 3.45Å; K584-F586 VanDerWaalsContact O-CE2 3.23Å; K584-F586 WeakPolarHBondContact O-CE2 3.21Å; F586-L592 HydrophobicContact CB-CB 4.46Å; F586-L592 HydrophobicContact CD2-CB 4.1Å; F586-L592 HydrophobicContact CD2-CD1 4.04Å; F586-L592 HydrophobicContact CE2-CD1 4.25Å; F586-L592 HydrophobicContact CG-CB 4.44Å; F586-H595 HydrophobicContact CE1-CB 4.18Å; F586-H595 HydrophobicContact CE2-CB 3.99Å; F586-H595 AromaticContact CE2-CD2 3.31Å; F586-H595 WeakPolarHBondContact CE2-CD2 3.43Å; F586-H595 AromaticContact CE2-CG 3.83Å; F586-H595 HydrophobicContact CZ-CB 3.59Å; F586-H595 AromaticContact CZ-CD2 3.38Å; F586-H595 WeakPolarHBondContact CZ-CD2 3.48Å; F586-H595 AromaticContact CZ-CG 3.48Å; F586-H595 VanDerWaalsContact CZ-CG 3.48Å
587	N	89.1	Confident	90.6	Very high	37 Å²	37	62.1 Å²	62.1	20%	0.198	35%	0.349	C	S	.	.	S	Bend	trans	-82.4	-13.9	177.2	63.2	-16.5	0	0	0	113.9	R569 E574 Y577	R569-N587 HydrophobicContact CB-CB 4.12Å; R569-N587 PolarHBondContact NH1-O 2.84Å; E574-N587 WeakPolarHBondContact O-CB 3.29Å; Y577-N587 WeakPolarHBondContact CE2-O 3.37Å
588	Q	89	Confident	90.5	Very high	77 Å²	77	62.2 Å²	62.2	36%	0.36	36%	0.358	S	S	.	.	S	Bend	trans	-135.5	136	178.1	-60.8	-177.3	5.4	0	0	111.6	S590 S591 L592	Q588-S590 VanDerWaalsContact C-N 3.3Å; Q588-S590 PolarHBondContact O-N 3.47Å; Q588-S590 PolarHBondContact OE1-OG 2.97Å; Q588-S591 WeakPolarHBondContact O-CB 3.49Å; Q588-S591 PolarHBondContact O-N 3.26Å; Q588-L592 PolarHBondContact O-N 3.44Å
589	S	89.8	Confident	90.2	Very high	59 Å²	59	60.2 Å²	60.2	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-35.4	178.3	53.9	0	0	0	0	112.9	S591 L592 I593	S589-S591 PolarHBondContact O-N 3.31Å; S589-L592 PolarHBondContact O-N 3.15Å; S589-L592 VanDerWaalsContact O-N 3.13Å; S589-I593 WeakPolarHBondContact O-CG1 3.42Å; S589-I593 PolarHBondContact O-N 2.96Å
590	S	88.3	Confident	89.9	Confident	61 Å²	61	64.7 Å²	64.7	43%	0.427	38%	0.375	S	S	.	.	H	α-helix	trans	-54.5	-36.9	171.8	57.9	0	0	0	0	113	Q588 V594	Q588-S590 VanDerWaalsContact C-N 3.3Å; Q588-S590 PolarHBondContact O-N 3.47Å; Q588-S590 PolarHBondContact OE1-OG 2.97Å; S590-V594 WeakPolarHBondContact O-CG2 3.24Å; S590-V594 PolarHBondContact O-N 3.11Å
591	S	90.4	Very high	89.8	Confident	45 Å²	45	62.7 Å²	62.7	32%	0.315	35%	0.354	S	S	.	.	H	α-helix	trans	-76.6	-37.3	177.9	-63.3	0	0	0	0	111.8	Q588 S589 H595	Q588-S591 WeakPolarHBondContact O-CB 3.49Å; Q588-S591 PolarHBondContact O-N 3.26Å; S589-S591 PolarHBondContact O-N 3.31Å; S591-H595 WeakPolarHBondContact O-CB 3.47Å; S591-H595 PolarHBondContact O-N 2.84Å
592	L	92.3	Very high	89.7	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-46.1	171.3	174	60.6	0	0	0	111.3	Q578 C579 F586 Q588 S589 V594 H595 Q596	Q578-L592 WeakPolarHBondContact O-CD2 3.41Å; C579-L592 HydrophobicContact CB-CD1 3.52Å; F586-L592 HydrophobicContact CB-CB 4.46Å; F586-L592 HydrophobicContact CD2-CB 4.1Å; F586-L592 HydrophobicContact CD2-CD1 4.04Å; F586-L592 HydrophobicContact CE2-CD1 4.25Å; F586-L592 HydrophobicContact CG-CB 4.44Å; Q588-L592 PolarHBondContact O-N 3.44Å; S589-L592 PolarHBondContact O-N 3.15Å; S589-L592 VanDerWaalsContact O-N 3.13Å; L592-V594 PolarHBondContact O-N 3.49Å; L592-H595 CarbonylContact O-C 3.26Å; L592-H595 WeakPolarHBondContact O-CA 3.36Å; L592-H595 WeakPolarHBondContact O-CB 3.45Å; L592-H595 PolarHBondContact O-N 3.49Å; L592-Q596 HydrophobicContact CD1-CG 4.07Å; L592-Q596 HydrophobicContact CG-CG 4.38Å; L592-Q596 WeakPolarHBondContact O-CG 3.02Å; L592-Q596 PolarHBondContact O-N 3.01Å
593	I	90.4	Very high	89.7	Confident	82 Å²	82	62.5 Å²	62.5	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-44.4	179.5	-67	163.3	0	0	0	111.2	S589 H595 Q596 R597	S589-I593 WeakPolarHBondContact O-CG1 3.42Å; S589-I593 PolarHBondContact O-N 2.96Å; I593-H595 PolarHBondContact O-N 2.9Å; I593-Q596 PolarHBondContact O-N 3.44Å; I593-R597 PolarHBondContact O-N 3.39Å
594	V	90.4	Very high	89.7	Confident	41 Å²	41	63.6 Å²	63.6	25%	0.248	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-28.8	175.4	172	0	0	0	0	111.8	S590 L592 N616	S590-V594 WeakPolarHBondContact O-CG2 3.24Å; S590-V594 PolarHBondContact O-N 3.11Å; L592-V594 PolarHBondContact O-N 3.49Å; V594-N616 HydrophobicContact CG1-CB 4.01Å
595	H	91.1	Very high	89.7	Confident	25 Å²	25	60 Å²	60	12%	0.116	33%	0.33	C	S	.	.	H	α-helix	trans	-75.4	-40.2	172.4	175.1	42.8	0	0	0	113.4	C582 F586 S591 L592 I593 R597 T598 H599	C582-H595 PolarHBondContact SG-NE2 3.01Å; F586-H595 HydrophobicContact CE1-CB 4.18Å; F586-H595 HydrophobicContact CE2-CB 3.99Å; F586-H595 AromaticContact CE2-CD2 3.31Å; F586-H595 WeakPolarHBondContact CE2-CD2 3.43Å; F586-H595 AromaticContact CE2-CG 3.83Å; F586-H595 HydrophobicContact CZ-CB 3.59Å; F586-H595 AromaticContact CZ-CD2 3.38Å; F586-H595 WeakPolarHBondContact CZ-CD2 3.48Å; F586-H595 AromaticContact CZ-CG 3.48Å; F586-H595 VanDerWaalsContact CZ-CG 3.48Å; S591-H595 WeakPolarHBondContact O-CB 3.47Å; S591-H595 PolarHBondContact O-N 2.84Å; L592-H595 CarbonylContact O-C 3.26Å; L592-H595 WeakPolarHBondContact O-CA 3.36Å; L592-H595 WeakPolarHBondContact O-CB 3.45Å; L592-H595 PolarHBondContact O-N 3.49Å; I593-H595 PolarHBondContact O-N 2.9Å; H595-R597 PolarHBondContact O-N 3.24Å; H595-R597 VanDerWaalsContact O-N 3.13Å; H595-T598 PolarHBondContact CE1-OG1 2.96Å; H595-T598 PolarHBondContact ND1-OG1 2.85Å; H595-T598 VanDerWaalsContact ND1-OG1 3.08Å; H595-T598 WeakPolarHBondContact O-CB 3.35Å; H595-T598 PolarHBondContact O-N 2.96Å; H595-T598 PolarHBondContact O-OG1 3.44Å; H595-H599 AromaticContact CE1-CE1 3.44Å; H595-H599 PolarHBondContact CE1-CE1 3.15Å; H595-H599 VanDerWaalsContact CE1-CE1 3.44Å; H595-H599 AromaticContact CE1-NE2 3.37Å; H595-H599 PolarHBondContact CE1-NE2 3.26Å; H595-H599 AromaticContact NE2-CE1 3.67Å; H595-H599 AromaticContact NE2-NE2 3.19Å; H595-H599 PolarHBondContact NE2-NE2 3.27Å; H595-H599 VanDerWaalsContact NE2-NE2 3.19Å
596	Q	89.7	Confident	89.6	Confident	84 Å²	84	62.9 Å²	62.9	39%	0.393	34%	0.34	S	S	.	.	H	α-helix	trans	-56.4	-33.4	177.4	-75.6	166	-40.7	0	0	111.5	L592 I593 T598 H599 T600	L592-Q596 HydrophobicContact CD1-CG 4.07Å; L592-Q596 HydrophobicContact CG-CG 4.38Å; L592-Q596 WeakPolarHBondContact O-CG 3.02Å; L592-Q596 PolarHBondContact O-N 3.01Å; I593-Q596 PolarHBondContact O-N 3.44Å; Q596-T598 PolarHBondContact O-N 3.01Å; Q596-H599 WeakPolarHBondContact O-CB 3.31Å; Q596-H599 PolarHBondContact O-N 3.37Å; Q596-T600 PolarHBondContact O-N 2.92Å; Q596-T600 VanDerWaalsContact O-N 3.14Å
597	R	91.4	Very high	89.6	Confident	48 Å²	48	61.3 Å²	61.3	18%	0.181	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-11.9	171.1	-63.7	-172.6	-179.8	135.5	12	115.8	I593 H595 G601 E602 N615	I593-R597 PolarHBondContact O-N 3.39Å; H595-R597 PolarHBondContact O-N 3.24Å; H595-R597 VanDerWaalsContact O-N 3.13Å; R597-G601 CarbonylContact O-C 3.53Å; R597-G601 WeakPolarHBondContact O-CA 3.2Å; R597-G601 PolarHBondContact O-N 3.47Å; R597-E602 HydrophobicContact CB-CB 3.97Å; R597-E602 HydrophobicContact CG-CB 3.76Å; R597-E602 IonicContact NE-OE2 2.69Å; R597-E602 PolarHBondContact NE-OE2 2.84Å; R597-E602 PolarHBondContact O-N 2.84Å; R597-N615 HydrophobicContact CB-CB 3.98Å; R597-N615 PolarHBondContact NH1-O 3.32Å
598	T	90.2	Very high	89.6	Confident	78 Å²	78	67.4 Å²	67.4	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-79.7	-24.2	169.3	67.4	0	0	0	0	112.2	H595 Q596	H595-T598 PolarHBondContact CE1-OG1 2.96Å; H595-T598 PolarHBondContact ND1-OG1 2.85Å; H595-T598 VanDerWaalsContact ND1-OG1 3.08Å; H595-T598 WeakPolarHBondContact O-CB 3.35Å; H595-T598 PolarHBondContact O-N 2.96Å; H595-T598 PolarHBondContact O-OG1 3.44Å; Q596-T598 PolarHBondContact O-N 3.01Å
599	H	87.6	Confident	89.6	Confident	79 Å²	79	68.4 Å²	68.4	37%	0.366	38%	0.376	S	S	.	.	H	α-helix	trans	-85.8	-47.9	176.3	-53.1	-44.3	0	0	0	111	C579 C582 H595 Q596 G601	C579-H599 PolarHBondContact SG-NE2 2.97Å; C582-H599 PolarHBondContact SG-NE2 3.36Å; C582-H599 VanDerWaalsContact SG-NE2 3.42Å; H595-H599 AromaticContact CE1-CE1 3.44Å; H595-H599 PolarHBondContact CE1-CE1 3.15Å; H595-H599 VanDerWaalsContact CE1-CE1 3.44Å; H595-H599 AromaticContact CE1-NE2 3.37Å; H595-H599 PolarHBondContact CE1-NE2 3.26Å; H595-H599 AromaticContact NE2-CE1 3.67Å; H595-H599 AromaticContact NE2-NE2 3.19Å; H595-H599 PolarHBondContact NE2-NE2 3.27Å; H595-H599 VanDerWaalsContact NE2-NE2 3.19Å; Q596-H599 WeakPolarHBondContact O-CB 3.31Å; Q596-H599 PolarHBondContact O-N 3.37Å; H599-G601 PolarHBondContact O-N 3.38Å
600	T	87.2	Confident	89.5	Confident	95 Å²	95	68.2 Å²	68.2	58%	0.583	37%	0.374	S	S	*	.	S	Bend	trans	-75.1	-6.4	177.3	64.5	0	0	0	0	113.9	Q596 E602	Q596-T600 PolarHBondContact O-N 2.92Å; Q596-T600 VanDerWaalsContact O-N 3.14Å; T600-E602 PolarHBondContact O-N 3.29Å; T600-E602 VanDerWaalsContact O-N 3.1Å; T600-E602 WeakPolarHBondContact OG1-CB 3.34Å; T600-E602 WeakPolarHBondContact OG1-CG 3.37Å
601	G	87.6	Confident	89.4	Confident	41 Å²	41	67.2 Å²	67.2	42%	0.423	37%	0.373	S	S	.	.			trans	68.2	1.3	-175.5	0	0	0	0	0	115.2	R597 H599 K603	R597-G601 CarbonylContact O-C 3.53Å; R597-G601 WeakPolarHBondContact O-CA 3.2Å; R597-G601 PolarHBondContact O-N 3.47Å; H599-G601 PolarHBondContact O-N 3.38Å; G601-K603 PolarHBondContact O-N 3.01Å
602	E	86.8	Confident	89.3	Confident	99 Å²	99	71.1 Å²	71.1	46%	0.463	38%	0.384	S	S	.	.			trans	-53.5	123.8	-175.1	-95	-173.1	-155.1	0	0	113.4	R597 T600 N615	R597-E602 HydrophobicContact CB-CB 3.97Å; R597-E602 HydrophobicContact CG-CB 3.76Å; R597-E602 IonicContact NE-OE2 2.69Å; R597-E602 PolarHBondContact NE-OE2 2.84Å; R597-E602 PolarHBondContact O-N 2.84Å; T600-E602 PolarHBondContact O-N 3.29Å; T600-E602 VanDerWaalsContact O-N 3.1Å; T600-E602 WeakPolarHBondContact OG1-CB 3.34Å; T600-E602 WeakPolarHBondContact OG1-CG 3.37Å; E602-N615 WeakPolarHBondContact O-CB 3.08Å
603	K	89.6	Confident	89.2	Confident	107 Å²	107	76.4 Å²	76.4	47%	0.465	40%	0.403	S	S	.	.			trans	-128.8	81.9	175.1	-69.1	159.9	-169.4	167	0	109.9	G601 Y605 R613 F614 N615	G601-K603 PolarHBondContact O-N 3.01Å; K603-Y605 VanDerWaalsContact C-N 3.31Å; K603-Y605 PolarHBondContact O-N 3.14Å; K603-R613 HydrophobicContact CB-CB 3.6Å; K603-R613 HydrophobicContact CD-CB 4.38Å; K603-R613 HydrophobicContact CG-CB 4.5Å; K603-R613 PolarHBondContact O-NE 3.37Å; K603-R613 PolarHBondContact O-NH2 3Å; K603-F614 CarbonylContact C-O 3.37Å; K603-F614 VanDerWaalsContact C-O 3.26Å; K603-F614 VanDerWaalsContact CA-O 3.23Å; K603-F614 WeakPolarHBondContact CA-O 3.41Å; K603-N615 HydrophobicContact CG-CB 4.37Å
604	P	88.4	Confident	89.1	Confident	61 Å²	61	74.2 Å²	74.2	40%	0.396	39%	0.391	S	S	.	.			trans	-65.4	-31.8	-175.9	-22.9	35	0	0	0	113.5	Q606	P604-Q606 PolarHBondContact O-N 2.75Å
605	Y	90.8	Very high	89	Confident	54 Å²	54	73.4 Å²	73.4	21%	0.212	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	104.8	-171.5	-52.4	-80.3	0	0	0	110.8	K603 R613 F614 S617 F620	K603-Y605 VanDerWaalsContact C-N 3.31Å; K603-Y605 PolarHBondContact O-N 3.14Å; Y605-R613 CarbonylContact O-C 3.53Å; Y605-R613 VanDerWaalsContact O-CA 3.3Å; Y605-R613 WeakPolarHBondContact O-CA 3.29Å; Y605-F614 WeakPolarHBondContact CD2-O 3.39Å; Y605-F614 PolarHBondContact N-O 3.06Å; Y605-F614 VanDerWaalsContact N-O 3.14Å; Y605-F614 PolarHBondContact O-N 2.69Å; Y605-S617 VanDerWaalsContact CE2-N 3.27Å; Y605-F620 HydrophobicContact CD1-CD1 4.25Å; Y605-F620 HydrophobicContact CG-CB 4.26Å; Y605-F620 HydrophobicContact CG-CD1 4.4Å; Y605-F620 HydrophobicContact CG-CG 4.46Å
606	Q	91.4	Very high	88.9	Confident	91 Å²	91	74.2 Å²	74.2	43%	0.425	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134	179.3	178.9	165	-26.4	0	0	112	P604 R613 F620	P604-Q606 PolarHBondContact O-N 2.75Å; Q606-R613 HydrophobicContact CB-CG 3.97Å; Q606-R613 HydrophobicContact CG-CG 3.94Å; Q606-F620 WeakPolarHBondContact O-CE2 3.28Å
607	C	90.8	Very high	88.8	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.027	39%	0.385	C	S	.	.			trans	-78.6	120.2	168.3	-172.4	0	0	0	0	110.9	V609 G611 K612 F620 H627	C607-V609 VanDerWaalsContact C-N 3.3Å; C607-V609 PolarHBondContact O-N 2.74Å; C607-V609 PolarHBondContact SG-N 3.01Å; C607-G611 WeakPolarHBondContact O-CA 3.44Å; C607-G611 PolarHBondContact O-N 3.25Å; C607-K612 WeakPolarHBondContact CB-O 3.34Å; C607-K612 PolarHBondContact N-O 3.17Å; C607-F620 HydrophobicContact CB-CE2 4.17Å; C607-H627 PolarHBondContact SG-NE2 2.91Å
608	I	89.1	Confident	88.5	Confident	166 Å²	166	73.9 Å²	73.9	85%	0.851	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.4	174.2	62.3	177.3	0	0	0	112.7
609	V	87.8	Confident	88.4	Confident	97 Å²	97	74.8 Å²	74.8	59%	0.588	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-35.3	-174.7	-172.7	0	0	0	0	112.5	C607 H627	C607-V609 VanDerWaalsContact C-N 3.3Å; C607-V609 PolarHBondContact O-N 2.74Å; C607-V609 PolarHBondContact SG-N 3.01Å; V609-H627 HydrophobicContact CG1-CB 4.28Å; V609-H627 HydrophobicContact CG2-CB 4.39Å
610	C	88.7	Confident	88.5	Confident	55 Å²	55	72.9 Å²	72.9	37%	0.372	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.5	19.8	-175.6	79.9	0	0	0	0	115	K612 H623 H627	C610-K612 PolarHBondContact O-N 3.2Å; C610-H623 PolarHBondContact SG-NE2 3.02Å; C610-H623 VanDerWaalsContact SG-NE2 3.39Å; C610-H627 VanDerWaalsContact SG-CE1 3.53Å
611	G	86.3	Confident	88.5	Confident	40 Å²	40	70.6 Å²	70.6	41%	0.412	38%	0.382	S	S	.	.			trans	67.6	-14.9	175.1	0	0	0	0	0	117.2	C607 R613	C607-G611 WeakPolarHBondContact O-CA 3.44Å; C607-G611 PolarHBondContact O-N 3.25Å; G611-R613 WeakPolarHBondContact O-CG 3.29Å; G611-R613 PolarHBondContact O-N 2.87Å
612	K	88.1	Confident	88.5	Confident	127 Å²	127	69.7 Å²	69.7	55%	0.552	37%	0.37	S	S	*	.			trans	-59.4	133.3	-174.6	-70.8	-178.6	-178.3	-180	0	111.6	C607 C610 F614	C607-K612 WeakPolarHBondContact CB-O 3.34Å; C607-K612 PolarHBondContact N-O 3.17Å; C610-K612 PolarHBondContact O-N 3.2Å; K612-F614 HydrophobicContact CB-CE2 3.88Å; K612-F614 HydrophobicContact CB-CZ 4Å; K612-F614 WeakPolarHBondContact O-CE2 3.47Å
613	R	90.1	Very high	88.6	Confident	131 Å²	131	65.8 Å²	65.8	49%	0.494	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.1	-177.4	-52.8	-172.3	61.9	136.9	-12	112.1	K603 Y605 Q606 G611	K603-R613 HydrophobicContact CB-CB 3.6Å; K603-R613 HydrophobicContact CD-CB 4.38Å; K603-R613 HydrophobicContact CG-CB 4.5Å; K603-R613 PolarHBondContact O-NE 3.37Å; K603-R613 PolarHBondContact O-NH2 3Å; Y605-R613 CarbonylContact O-C 3.53Å; Y605-R613 VanDerWaalsContact O-CA 3.3Å; Y605-R613 WeakPolarHBondContact O-CA 3.29Å; Q606-R613 HydrophobicContact CB-CG 3.97Å; Q606-R613 HydrophobicContact CG-CG 3.94Å; G611-R613 WeakPolarHBondContact O-CG 3.29Å; G611-R613 PolarHBondContact O-N 2.87Å
614	F	88.3	Confident	88.5	Confident	36 Å²	36	66.9 Å²	66.9	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.6	-175.4	-54.4	-94.5	0	0	0	110.9	K603 Y605 K612 Q619 F620 H623	K603-F614 CarbonylContact C-O 3.37Å; K603-F614 VanDerWaalsContact C-O 3.26Å; K603-F614 VanDerWaalsContact CA-O 3.23Å; K603-F614 WeakPolarHBondContact CA-O 3.41Å; Y605-F614 WeakPolarHBondContact CD2-O 3.39Å; Y605-F614 PolarHBondContact N-O 3.06Å; Y605-F614 VanDerWaalsContact N-O 3.14Å; Y605-F614 PolarHBondContact O-N 2.69Å; K612-F614 HydrophobicContact CB-CE2 3.88Å; K612-F614 HydrophobicContact CB-CZ 4Å; K612-F614 WeakPolarHBondContact O-CE2 3.47Å; F614-Q619 HydrophobicContact CB-CB 4.46Å; F614-Q619 HydrophobicContact CD1-CB 3.97Å; F614-F620 HydrophobicContact CB-CB 4.17Å; F614-F620 HydrophobicContact CD2-CB 4.09Å; F614-F620 AromaticContact CD2-CD2 3.92Å; F614-F620 HydrophobicContact CD2-CD2 3.92Å; F614-F620 HydrophobicContact CD2-CG 4.5Å; F614-F620 HydrophobicContact CE2-CD2 4.31Å; F614-F620 HydrophobicContact CG-CB 4.24Å; F614-H623 HydrophobicContact CE1-CB 4.03Å; F614-H623 HydrophobicContact CE2-CB 3.97Å; F614-H623 AromaticContact CE2-CD2 3.3Å; F614-H623 WeakPolarHBondContact CE2-CD2 3.23Å; F614-H623 AromaticContact CE2-CG 3.67Å; F614-H623 HydrophobicContact CZ-CB 3.52Å; F614-H623 AromaticContact CZ-CD2 3.42Å; F614-H623 VanDerWaalsContact CZ-CD2 3.42Å; F614-H623 WeakPolarHBondContact CZ-CD2 3.18Å; F614-H623 AromaticContact CZ-CG 3.29Å; F614-H623 AromaticContact CZ-ND1 3.92Å
615	N	88.2	Confident	88.5	Confident	24 Å²	24	67 Å²	67	13%	0.128	35%	0.346	C	S	.	.	S	Bend	trans	-88.2	-15.1	177.3	62.1	-1	0	0	0	113.5	R597 E602 K603 Q619	R597-N615 HydrophobicContact CB-CB 3.98Å; R597-N615 PolarHBondContact NH1-O 3.32Å; E602-N615 WeakPolarHBondContact O-CB 3.08Å; K603-N615 HydrophobicContact CG-CB 4.37Å; N615-Q619 PolarHBondContact OD1-OE1 3.46Å
616	N	88.4	Confident	88.2	Confident	42 Å²	42	69.4 Å²	69.4	23%	0.225	36%	0.361	C	S	.	.	S	Bend	trans	-128.7	130.4	-176.5	-178.2	-19	0	0	0	111.7	V594 S618 Q619 F620	V594-N616 HydrophobicContact CG1-CB 4.01Å; N616-S618 PolarHBondContact O-N 3.23Å; N616-S618 WeakPolarHBondContact OD1-CB 3.2Å; N616-S618 PolarHBondContact OD1-N 3.42Å; N616-S618 PolarHBondContact OD1-OG 2.68Å; N616-Q619 HydrophobicContact CB-CG 4.15Å; N616-Q619 PolarHBondContact O-N 2.84Å; N616-F620 PolarHBondContact O-N 3.3Å; N616-F620 VanDerWaalsContact O-N 3.12Å
617	S	88.2	Confident	87.9	Confident	41 Å²	41	68.6 Å²	68.6	29%	0.287	36%	0.357	S	S	.	.	H	α-helix	trans	-56.2	-34.8	178.1	-172.5	0	0	0	0	113.3	Y605 F620 S621	Y605-S617 VanDerWaalsContact CE2-N 3.27Å; S617-F620 PolarHBondContact O-N 2.94Å; S617-S621 WeakPolarHBondContact O-CB 3.44Å; S617-S621 PolarHBondContact O-N 3.18Å; S617-S621 PolarHBondContact O-OG 3.28Å
618	S	86.1	Confident	87.6	Confident	84 Å²	84	71.9 Å²	71.9	59%	0.587	38%	0.377	S	S	*	.	H	α-helix	trans	-68.2	-39.2	-178.5	-56.1	0	0	0	0	111.7	N616 A622	N616-S618 PolarHBondContact O-N 3.23Å; N616-S618 WeakPolarHBondContact OD1-CB 3.2Å; N616-S618 PolarHBondContact OD1-N 3.42Å; N616-S618 PolarHBondContact OD1-OG 2.68Å; S618-A622 WeakPolarHBondContact O-CB 3.43Å; S618-A622 PolarHBondContact O-N 2.69Å
619	Q	86.7	Confident	87.2	Confident	96 Å²	96	66.8 Å²	66.8	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-67.6	-44.3	174.4	-64.2	177.9	0.6	0	0	110.7	F614 N615 N616 S621 A622 H623	F614-Q619 HydrophobicContact CB-CB 4.46Å; F614-Q619 HydrophobicContact CD1-CB 3.97Å; N615-Q619 PolarHBondContact OD1-OE1 3.46Å; N616-Q619 HydrophobicContact CB-CG 4.15Å; N616-Q619 PolarHBondContact O-N 2.84Å; Q619-S621 VanDerWaalsContact C-N 3.35Å; Q619-S621 PolarHBondContact O-N 2.85Å; Q619-A622 PolarHBondContact O-N 2.98Å; Q619-H623 WeakPolarHBondContact O-CB 3.32Å; Q619-H623 PolarHBondContact O-N 2.87Å
620	F	90.4	Very high	87	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.171	36%	0.358	C	S	.	.	H	α-helix	trans	-58.8	-43.7	175	173	-121.7	0	0	0	112.7	Y605 Q606 C607 F614 N616 S617 H623 R624	Y605-F620 HydrophobicContact CD1-CD1 4.25Å; Y605-F620 HydrophobicContact CG-CB 4.26Å; Y605-F620 HydrophobicContact CG-CD1 4.4Å; Y605-F620 HydrophobicContact CG-CG 4.46Å; Q606-F620 WeakPolarHBondContact O-CE2 3.28Å; C607-F620 HydrophobicContact CB-CE2 4.17Å; F614-F620 HydrophobicContact CB-CB 4.17Å; F614-F620 HydrophobicContact CD2-CB 4.09Å; F614-F620 AromaticContact CD2-CD2 3.92Å; F614-F620 HydrophobicContact CD2-CD2 3.92Å; F614-F620 HydrophobicContact CD2-CG 4.5Å; F614-F620 HydrophobicContact CE2-CD2 4.31Å; F614-F620 HydrophobicContact CG-CB 4.24Å; N616-F620 PolarHBondContact O-N 3.3Å; N616-F620 VanDerWaalsContact O-N 3.12Å; S617-F620 PolarHBondContact O-N 2.94Å; F620-H623 WeakPolarHBondContact O-CB 3.3Å; F620-H623 PolarHBondContact O-N 2.87Å; F620-R624 HydrophobicContact CD2-CG 4.38Å; F620-R624 HydrophobicContact CE1-CG 4.41Å; F620-R624 HydrophobicContact CE2-CG 3.93Å; F620-R624 HydrophobicContact CZ-CG 3.96Å; F620-R624 PolarHBondContact O-N 3.21Å
621	S	87.6	Confident	86.7	Confident	48 Å²	48	65.8 Å²	65.8	34%	0.336	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-43.9	178.3	-60.3	0	0	0	0	111.9	S617 Q619 H623 R624 R625	S617-S621 WeakPolarHBondContact O-CB 3.44Å; S617-S621 PolarHBondContact O-N 3.18Å; S617-S621 PolarHBondContact O-OG 3.28Å; Q619-S621 VanDerWaalsContact C-N 3.35Å; Q619-S621 PolarHBondContact O-N 2.85Å; S621-H623 VanDerWaalsContact C-N 3.26Å; S621-H623 PolarHBondContact O-N 3.04Å; S621-R624 PolarHBondContact O-N 3.3Å; S621-R625 PolarHBondContact O-N 3.23Å
622	A	86.3	Confident	86.6	Confident	21 Å²	21	67.4 Å²	67.4	17%	0.174	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-31.6	173.1	0	0	0	0	0	112.5	S618 Q619	S618-A622 WeakPolarHBondContact O-CB 3.43Å; S618-A622 PolarHBondContact O-N 2.69Å; Q619-A622 PolarHBondContact O-N 2.98Å
623	H	88.7	Confident	86.5	Confident	17 Å²	17	64.9 Å²	64.9	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-71.7	-41.1	173.3	171	60.4	0	0	0	113	C610 F614 Q619 F620 S621 R625 I626 H627	C610-H623 PolarHBondContact SG-NE2 3.02Å; C610-H623 VanDerWaalsContact SG-NE2 3.39Å; F614-H623 HydrophobicContact CE1-CB 4.03Å; F614-H623 HydrophobicContact CE2-CB 3.97Å; F614-H623 AromaticContact CE2-CD2 3.3Å; F614-H623 WeakPolarHBondContact CE2-CD2 3.23Å; F614-H623 AromaticContact CE2-CG 3.67Å; F614-H623 HydrophobicContact CZ-CB 3.52Å; F614-H623 AromaticContact CZ-CD2 3.42Å; F614-H623 VanDerWaalsContact CZ-CD2 3.42Å; F614-H623 WeakPolarHBondContact CZ-CD2 3.18Å; F614-H623 AromaticContact CZ-CG 3.29Å; F614-H623 AromaticContact CZ-ND1 3.92Å; Q619-H623 WeakPolarHBondContact O-CB 3.32Å; Q619-H623 PolarHBondContact O-N 2.87Å; F620-H623 WeakPolarHBondContact O-CB 3.3Å; F620-H623 PolarHBondContact O-N 2.87Å; S621-H623 VanDerWaalsContact C-N 3.26Å; S621-H623 PolarHBondContact O-N 3.04Å; H623-R625 PolarHBondContact O-N 2.78Å; H623-I626 VanDerWaalsContact O-CB 3.28Å; H623-I626 WeakPolarHBondContact O-CB 3.5Å; H623-I626 WeakPolarHBondContact O-CG1 3.42Å; H623-I626 PolarHBondContact O-N 2.81Å; H623-H627 AromaticContact CE1-CE1 3.96Å; H623-H627 AromaticContact CE1-NE2 3.26Å; H623-H627 PolarHBondContact CE1-NE2 2.88Å; H623-H627 VanDerWaalsContact CE1-NE2 3.26Å; H623-H627 AromaticContact NE2-CD2 3.96Å; H623-H627 AromaticContact NE2-NE2 3.11Å; H623-H627 PolarHBondContact NE2-NE2 2.94Å; H623-H627 VanDerWaalsContact NE2-NE2 3.11Å
624	R	88.4	Confident	86.3	Confident	130 Å²	130	65.6 Å²	65.6	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-54	-38.5	177.6	-81.7	-172.6	65.7	-116.2	-4.5	112.2	F620 S621 I626 H627 T628	F620-R624 HydrophobicContact CD2-CG 4.38Å; F620-R624 HydrophobicContact CE1-CG 4.41Å; F620-R624 HydrophobicContact CE2-CG 3.93Å; F620-R624 HydrophobicContact CZ-CG 3.96Å; F620-R624 PolarHBondContact O-N 3.21Å; S621-R624 PolarHBondContact O-N 3.3Å; R624-I626 PolarHBondContact O-N 3.25Å; R624-I626 VanDerWaalsContact O-N 3.15Å; R624-H627 PolarHBondContact O-N 3.11Å; R624-T628 PolarHBondContact O-N 3.46Å
625	R	87.8	Confident	86.3	Confident	65 Å²	65	64 Å²	64	25%	0.245	34%	0.344	C	S	.	.	H	α-helix	trans	-57.9	-22.7	176	-69.3	-172.1	-179	132.6	6.2	115.1	S621 H623 H627 T628 G629 E630 N643	S621-R625 PolarHBondContact O-N 3.23Å; H623-R625 PolarHBondContact O-N 2.78Å; R625-H627 VanDerWaalsContact C-N 3.26Å; R625-H627 PolarHBondContact O-N 2.84Å; R625-T628 WeakPolarHBondContact CA-OG1 3.19Å; R625-G629 PolarHBondContact O-N 2.84Å; R625-E630 HydrophobicContact CB-CB 3.98Å; R625-E630 WeakPolarHBondContact CB-O 3.21Å; R625-E630 HydrophobicContact CG-CB 3.81Å; R625-E630 IonicContact NE-OE2 3.09Å; R625-E630 PolarHBondContact O-N 3.31Å; R625-N643 HydrophobicContact CB-CB 4.04Å; R625-N643 PolarHBondContact NH1-O 3.47Å
626	I	85.6	Confident	86.2	Confident	104 Å²	104	67.6 Å²	67.6	53%	0.533	38%	0.377	S	S	.	.	H	α-helix	trans	-66	-33.5	174.5	-59.1	175.8	0	0	0	110.5	H623 R624 N643	H623-I626 VanDerWaalsContact O-CB 3.28Å; H623-I626 WeakPolarHBondContact O-CB 3.5Å; H623-I626 WeakPolarHBondContact O-CG1 3.42Å; H623-I626 PolarHBondContact O-N 2.81Å; R624-I626 PolarHBondContact O-N 3.25Å; R624-I626 VanDerWaalsContact O-N 3.15Å; I626-N643 WeakPolarHBondContact CG1-ND2 3.43Å
627	H	85.3	Confident	86	Confident	73 Å²	73	70.9 Å²	70.9	34%	0.338	39%	0.391	S	S	.	.	H	α-helix	trans	-85.2	-23.9	-179.4	-54.3	-65.2	0	0	0	113.3	C607 V609 C610 H623 R624 R625	C607-H627 PolarHBondContact SG-NE2 2.91Å; V609-H627 HydrophobicContact CG1-CB 4.28Å; V609-H627 HydrophobicContact CG2-CB 4.39Å; C610-H627 VanDerWaalsContact SG-CE1 3.53Å; H623-H627 AromaticContact CE1-CE1 3.96Å; H623-H627 AromaticContact CE1-NE2 3.26Å; H623-H627 PolarHBondContact CE1-NE2 2.88Å; H623-H627 VanDerWaalsContact CE1-NE2 3.26Å; H623-H627 AromaticContact NE2-CD2 3.96Å; H623-H627 AromaticContact NE2-NE2 3.11Å; H623-H627 PolarHBondContact NE2-NE2 2.94Å; H623-H627 VanDerWaalsContact NE2-NE2 3.11Å; R624-H627 PolarHBondContact O-N 3.11Å; R625-H627 VanDerWaalsContact C-N 3.26Å; R625-H627 PolarHBondContact O-N 2.84Å
628	T	83.2	Confident	85.8	Confident	74 Å²	74	71.2 Å²	71.2	45%	0.454	39%	0.393	S	S	.	.	H	α-helix	trans	-95	-5.1	175.7	58.3	0	0	0	0	113.6	R624 R625 E630	R624-T628 PolarHBondContact O-N 3.46Å; R625-T628 WeakPolarHBondContact CA-OG1 3.19Å; T628-E630 VanDerWaalsContact CB-OE1 3.31Å; T628-E630 WeakPolarHBondContact CB-OE1 3.06Å; T628-E630 PolarHBondContact O-N 2.77Å; T628-E630 WeakPolarHBondContact OG1-CG 3.31Å; T628-E630 PolarHBondContact OG1-OE1 2.69Å
629	G	81.5	Confident	85.7	Confident	58 Å²	58	69.8 Å²	69.8	60%	0.598	39%	0.391	S	S	*	.			trans	71.6	-2.1	-174.7	0	0	0	0	0	114.8	R625 S631	R625-G629 PolarHBondContact O-N 2.84Å; G629-S631 PolarHBondContact O-N 2.78Å; G629-S631 VanDerWaalsContact O-N 3.13Å
630	E	82.5	Confident	85.6	Confident	92 Å²	92	71.2 Å²	71.2	43%	0.43	40%	0.396	S	S	.	.			trans	-56.8	115.9	-178.4	-79.6	167.3	-119.3	0	0	112	R625 T628	R625-E630 HydrophobicContact CB-CB 3.98Å; R625-E630 WeakPolarHBondContact CB-O 3.21Å; R625-E630 HydrophobicContact CG-CB 3.81Å; R625-E630 IonicContact NE-OE2 3.09Å; R625-E630 PolarHBondContact O-N 3.31Å; T628-E630 VanDerWaalsContact CB-OE1 3.31Å; T628-E630 WeakPolarHBondContact CB-OE1 3.06Å; T628-E630 PolarHBondContact O-N 2.77Å; T628-E630 WeakPolarHBondContact OG1-CG 3.31Å; T628-E630 PolarHBondContact OG1-OE1 2.69Å
631	S	82.5	Confident	85.4	Confident	40 Å²	40	71.8 Å²	71.8	28%	0.28	41%	0.405	S	S	.	.			trans	-126.1	74.8	174.5	42.8	0	0	0	0	110.6	G629 Y633 S641 F642	G629-S631 PolarHBondContact O-N 2.78Å; G629-S631 VanDerWaalsContact O-N 3.13Å; S631-Y633 PolarHBondContact O-N 2.85Å; S631-Y633 VanDerWaalsContact O-N 3.09Å; S631-S641 WeakPolarHBondContact OG-CB 3.41Å; S631-F642 CarbonylContact C-O 3.28Å; S631-F642 VanDerWaalsContact C-O 3.28Å; S631-F642 VanDerWaalsContact CA-O 3.29Å; S631-F642 WeakPolarHBondContact CA-O 3.34Å
632	P	84.6	Confident	85.2	Confident	74 Å²	74	71.8 Å²	71.8	48%	0.481	40%	0.399	S	S	.	.			trans	-64.2	-17	-172.9	-21.8	34.3	0	0	0	114.4
633	Y	85.4	Confident	85.1	Confident	73 Å²	73	72.8 Å²	72.8	29%	0.286	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	88.3	-174.8	-53.3	-79.6	0	0	0	109.8	S631 F642 F648	S631-Y633 PolarHBondContact O-N 2.85Å; S631-Y633 VanDerWaalsContact O-N 3.09Å; Y633-F642 WeakPolarHBondContact CD2-O 3.42Å; Y633-F642 PolarHBondContact N-O 3.19Å; Y633-F642 PolarHBondContact O-N 3.13Å; Y633-F648 HydrophobicContact CD1-CD1 4.22Å; Y633-F648 HydrophobicContact CG-CB 4.3Å; Y633-F648 HydrophobicContact CG-CD1 4.44Å
634	K	86.4	Confident	84.9	Confident	146 Å²	146	74 Å²	74	64%	0.635	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	136.8	175.9	-55	-160.8	174.7	179.7	0	110.9	S641 F648	K634-S641 WeakPolarHBondContact CG-OG 3.31Å; K634-F648 WeakPolarHBondContact O-CE2 3.36Å
635	C	88.9	Confident	84.7	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.014	40%	0.401	C	S	.	.			trans	-84.9	120.1	169.9	-178.2	0	0	0	0	109.8	E637 G639 K640 F648 H655	C635-E637 VanDerWaalsContact C-N 3.35Å; C635-G639 WeakPolarHBondContact O-CA 3.49Å; C635-G639 PolarHBondContact O-N 2.97Å; C635-K640 WeakPolarHBondContact CB-O 3.48Å; C635-K640 PolarHBondContact N-O 3Å; C635-F648 HydrophobicContact CB-CE2 3.98Å; C635-H655 PolarHBondContact SG-NE2 3.24Å
636	A	85.3	Confident	84.5	Confident	101 Å²	101	70.9 Å²	70.9	84%	0.835	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-41.9	174.8	0	0	0	0	0	111.4	C638	A636-C638 VanDerWaalsContact C-N 3.28Å; A636-C638 PolarHBondContact O-N 2.84Å
637	E	84.1	Confident	84.4	Confident	110 Å²	110	71.2 Å²	71.2	51%	0.514	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.9	-173.9	-59.7	144	-98.6	0	0	114.2	C635 H655	C635-E637 VanDerWaalsContact C-N 3.35Å; E637-H655 WeakPolarHBondContact OE2-CB 3.44Å; E637-H655 IonicContact OE2-CD2 2.77Å; E637-H655 PolarHBondContact OE2-CD2 3.18Å; E637-H655 IonicContact OE2-CG 2.69Å
638	C	85.1	Confident	84.4	Confident	49 Å²	49	69.1 Å²	69.1	33%	0.331	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	19.4	178.8	79.2	0	0	0	0	115.8	A636 K640 H651 H655	A636-C638 VanDerWaalsContact C-N 3.28Å; A636-C638 PolarHBondContact O-N 2.84Å; C638-K640 PolarHBondContact O-N 3.4Å; C638-H651 PolarHBondContact SG-NE2 3.33Å; C638-H651 VanDerWaalsContact SG-NE2 3.35Å; C638-H655 VanDerWaalsContact SG-CE1 3.54Å; C638-H655 PolarHBondContact SG-NE2 3.45Å; C638-H655 VanDerWaalsContact SG-NE2 3.38Å
639	G	83.6	Confident	84.5	Confident	53 Å²	53	68 Å²	68	55%	0.546	40%	0.401	S	S	.	.			trans	66.2	-14.5	177.8	0	0	0	0	0	117.2	C635 S641	C635-G639 WeakPolarHBondContact O-CA 3.49Å; C635-G639 PolarHBondContact O-N 2.97Å; G639-S641 PolarHBondContact O-N 3.46Å; G639-S641 PolarHBondContact O-OG 3.42Å; G639-S641 VanDerWaalsContact O-OG 3.1Å
640	K	84.1	Confident	84.5	Confident	126 Å²	126	67.2 Å²	67.2	55%	0.548	39%	0.389	S	S	.	.			trans	-61.7	128.4	-173.2	-71.3	176	-172.6	169	0	110.8	C635 C638 F642	C635-K640 WeakPolarHBondContact CB-O 3.48Å; C635-K640 PolarHBondContact N-O 3Å; C638-K640 PolarHBondContact O-N 3.4Å; K640-F642 HydrophobicContact CB-CE2 3.68Å; K640-F642 HydrophobicContact CB-CZ 4.01Å; K640-F642 WeakPolarHBondContact O-CD2 3.3Å; K640-F642 VanDerWaalsContact O-CE2 3.32Å; K640-F642 WeakPolarHBondContact O-CE2 3.31Å
641	S	85.8	Confident	84.6	Confident	52 Å²	52	63.8 Å²	63.8	36%	0.364	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.5	-170.6	-59.4	0	0	0	0	110.8	S631 K634 G639	S631-S641 WeakPolarHBondContact OG-CB 3.41Å; K634-S641 WeakPolarHBondContact CG-OG 3.31Å; G639-S641 PolarHBondContact O-N 3.46Å; G639-S641 PolarHBondContact O-OG 3.42Å; G639-S641 VanDerWaalsContact O-OG 3.1Å
642	F	83.6	Confident	84.6	Confident	47 Å²	47	67.8 Å²	67.8	21%	0.206	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	-170.7	-59.7	-98.9	0	0	0	111.7	S631 Y633 K640 H647 F648 H651	S631-F642 CarbonylContact C-O 3.28Å; S631-F642 VanDerWaalsContact C-O 3.28Å; S631-F642 VanDerWaalsContact CA-O 3.29Å; S631-F642 WeakPolarHBondContact CA-O 3.34Å; Y633-F642 WeakPolarHBondContact CD2-O 3.42Å; Y633-F642 PolarHBondContact N-O 3.19Å; Y633-F642 PolarHBondContact O-N 3.13Å; K640-F642 HydrophobicContact CB-CE2 3.68Å; K640-F642 HydrophobicContact CB-CZ 4.01Å; K640-F642 WeakPolarHBondContact O-CD2 3.3Å; K640-F642 VanDerWaalsContact O-CE2 3.32Å; K640-F642 WeakPolarHBondContact O-CE2 3.31Å; F642-H647 HydrophobicContact CD1-CB 4.12Å; F642-F648 HydrophobicContact CB-CB 4.14Å; F642-F648 HydrophobicContact CD2-CB 4.32Å; F642-F648 HydrophobicContact CD2-CD2 4.08Å; F642-F648 HydrophobicContact CG-CB 4.29Å; F642-H651 HydrophobicContact CE1-CB 4.2Å; F642-H651 HydrophobicContact CE2-CB 4.28Å; F642-H651 AromaticContact CE2-CD2 3.14Å; F642-H651 WeakPolarHBondContact CE2-CD2 3.26Å; F642-H651 AromaticContact CE2-CG 3.88Å; F642-H651 AromaticContact CE2-NE2 3.83Å; F642-H651 HydrophobicContact CZ-CB 3.77Å; F642-H651 AromaticContact CZ-CD2 3.23Å; F642-H651 WeakPolarHBondContact CZ-CD2 3.35Å; F642-H651 AromaticContact CZ-CG 3.5Å; F642-H651 VanDerWaalsContact CZ-CG 3.5Å; F642-H651 AromaticContact CZ-NE2 3.94Å
643	N	83.9	Confident	84.5	Confident	42 Å²	42	69.4 Å²	69.4	23%	0.225	38%	0.381	C	S	.	.	S	Bend	trans	-84.7	-14.4	176.6	57.7	10.3	0	0	0	114	R625 I626	R625-N643 HydrophobicContact CB-CB 4.04Å; R625-N643 PolarHBondContact NH1-O 3.47Å; I626-N643 WeakPolarHBondContact CG1-ND2 3.43Å
644	N	84.5	Confident	84.2	Confident	42 Å²	42	68.9 Å²	68.9	23%	0.225	39%	0.386	C	S	.	.			trans	-130.8	126.1	-173.3	-179.9	13.8	0	0	0	111.9	S646 H647 F648	N644-S646 VanDerWaalsContact C-N 3.29Å; N644-S646 PolarHBondContact O-N 2.85Å; N644-S646 PolarHBondContact OD1-N 3.06Å; N644-H647 HydrophobicContact CB-CB 4.3Å; N644-H647 PolarHBondContact ND2-CD2 3.09Å; N644-H647 PolarHBondContact ND2-NE2 3.39Å; N644-H647 PolarHBondContact O-N 3.45Å; N644-H647 VanDerWaalsContact O-N 3.14Å; N644-F648 PolarHBondContact O-N 2.96Å
645	S	84.7	Confident	83.9	Confident	49 Å²	49	65.4 Å²	65.4	34%	0.343	37%	0.372	S	S	.	.	H	α-helix	trans	-57.5	-36.9	178.1	-173.4	0	0	0	0	113.1	H647 F648 S649	S645-H647 VanDerWaalsContact C-N 3.35Å; S645-H647 PolarHBondContact O-N 3.16Å; S645-F648 PolarHBondContact O-N 2.99Å; S645-S649 WeakPolarHBondContact O-CB 3.17Å; S645-S649 PolarHBondContact O-N 3.36Å; S645-S649 PolarHBondContact O-OG 3.25Å
646	S	83.2	Confident	83.3	Confident	81 Å²	81	69.1 Å²	69.1	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-67.7	-35.7	179.1	-47.5	0	0	0	0	112.2	N644 A650	N644-S646 VanDerWaalsContact C-N 3.29Å; N644-S646 PolarHBondContact O-N 2.85Å; N644-S646 PolarHBondContact OD1-N 3.06Å; S646-A650 VanDerWaalsContact O-CB 3.27Å; S646-A650 WeakPolarHBondContact O-CB 3.46Å; S646-A650 PolarHBondContact O-N 3.37Å
647	H	83.7	Confident	82.5	Confident	111 Å²	111	66.8 Å²	66.8	51%	0.514	38%	0.38	S	S	.	.	H	α-helix	trans	-72.4	-41.6	176.1	-65.9	179.5	0	0	0	111	F642 N644 S645 A650 H651	F642-H647 HydrophobicContact CD1-CB 4.12Å; N644-H647 HydrophobicContact CB-CB 4.3Å; N644-H647 PolarHBondContact ND2-CD2 3.09Å; N644-H647 PolarHBondContact ND2-NE2 3.39Å; N644-H647 PolarHBondContact O-N 3.45Å; N644-H647 VanDerWaalsContact O-N 3.14Å; S645-H647 VanDerWaalsContact C-N 3.35Å; S645-H647 PolarHBondContact O-N 3.16Å; H647-A650 PolarHBondContact O-N 2.75Å; H647-H651 WeakPolarHBondContact O-CB 3.49Å; H647-H651 PolarHBondContact O-N 2.86Å
648	F	86.8	Confident	82	Confident	29 Å²	29	65.8 Å²	65.8	13%	0.127	38%	0.375	C	S	.	.	H	α-helix	trans	-58.8	-48.2	172.9	171.9	-119.4	0	0	0	112.2	Y633 K634 C635 F642 N644 S645 A650 H651 R652	Y633-F648 HydrophobicContact CD1-CD1 4.22Å; Y633-F648 HydrophobicContact CG-CB 4.3Å; Y633-F648 HydrophobicContact CG-CD1 4.44Å; K634-F648 WeakPolarHBondContact O-CE2 3.36Å; C635-F648 HydrophobicContact CB-CE2 3.98Å; F642-F648 HydrophobicContact CB-CB 4.14Å; F642-F648 HydrophobicContact CD2-CB 4.32Å; F642-F648 HydrophobicContact CD2-CD2 4.08Å; F642-F648 HydrophobicContact CG-CB 4.29Å; N644-F648 PolarHBondContact O-N 2.96Å; S645-F648 PolarHBondContact O-N 2.99Å; F648-A650 PolarHBondContact O-N 3.24Å; F648-H651 CarbonylContact O-C 3.52Å; F648-H651 WeakPolarHBondContact O-CA 3.27Å; F648-H651 WeakPolarHBondContact O-CB 3.21Å; F648-H651 PolarHBondContact O-N 3.27Å; F648-R652 PolarHBondContact O-N 3.21Å
649	S	84.4	Confident	81.5	Confident	50 Å²	50	69.9 Å²	69.9	35%	0.35	39%	0.387	S	S	.	.	H	α-helix	trans	-63.3	-40.7	178.7	-57.8	0	0	0	0	112.2	S645 H651 R652 K653	S645-S649 WeakPolarHBondContact O-CB 3.17Å; S645-S649 PolarHBondContact O-N 3.36Å; S645-S649 PolarHBondContact O-OG 3.25Å; S649-H651 PolarHBondContact O-N 2.94Å; S649-R652 PolarHBondContact O-N 3.41Å; S649-K653 PolarHBondContact O-N 2.88Å
650	A	82	Confident	81.2	Confident	42 Å²	42	71.4 Å²	71.4	35%	0.347	39%	0.388	S	S	.	.	H	α-helix	trans	-73.4	-11.9	174.4	0	0	0	0	0	114	S646 H647 F648	S646-A650 VanDerWaalsContact O-CB 3.27Å; S646-A650 WeakPolarHBondContact O-CB 3.46Å; S646-A650 PolarHBondContact O-N 3.37Å; H647-A650 PolarHBondContact O-N 2.75Å; F648-A650 PolarHBondContact O-N 3.24Å
651	H	85.1	Confident	81	Confident	21 Å²	21	70 Å²	70	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-91.3	-39.7	170.2	164.9	46.9	0	0	0	111.9	C638 F642 H647 F648 S649 K653 T654 H655	C638-H651 PolarHBondContact SG-NE2 3.33Å; C638-H651 VanDerWaalsContact SG-NE2 3.35Å; F642-H651 HydrophobicContact CE1-CB 4.2Å; F642-H651 HydrophobicContact CE2-CB 4.28Å; F642-H651 AromaticContact CE2-CD2 3.14Å; F642-H651 WeakPolarHBondContact CE2-CD2 3.26Å; F642-H651 AromaticContact CE2-CG 3.88Å; F642-H651 AromaticContact CE2-NE2 3.83Å; F642-H651 HydrophobicContact CZ-CB 3.77Å; F642-H651 AromaticContact CZ-CD2 3.23Å; F642-H651 WeakPolarHBondContact CZ-CD2 3.35Å; F642-H651 AromaticContact CZ-CG 3.5Å; F642-H651 VanDerWaalsContact CZ-CG 3.5Å; F642-H651 AromaticContact CZ-NE2 3.94Å; H647-H651 WeakPolarHBondContact O-CB 3.49Å; H647-H651 PolarHBondContact O-N 2.86Å; F648-H651 CarbonylContact O-C 3.52Å; F648-H651 WeakPolarHBondContact O-CA 3.27Å; F648-H651 WeakPolarHBondContact O-CB 3.21Å; F648-H651 PolarHBondContact O-N 3.27Å; S649-H651 PolarHBondContact O-N 2.94Å; H651-K653 PolarHBondContact O-N 2.86Å; H651-T654 PolarHBondContact ND1-OG1 2.87Å; H651-T654 WeakPolarHBondContact O-CB 3.25Å; H651-T654 PolarHBondContact O-N 3.5Å; H651-T654 PolarHBondContact O-OG1 2.89Å; H651-H655 AromaticContact CE1-CE1 3.55Å; H651-H655 AromaticContact CE1-NE2 3.28Å; H651-H655 PolarHBondContact CE1-NE2 3.37Å; H651-H655 VanDerWaalsContact CE1-NE2 3.28Å; H651-H655 AromaticContact NE2-NE2 3.5Å; H651-H655 PolarHBondContact NE2-NE2 3.25Å
652	R	82.3	Confident	80.9	Confident	123 Å²	123	75.6 Å²	75.6	46%	0.464	39%	0.393	S	S	.	.	H	α-helix	trans	-58.3	-34.5	175.9	-165.8	170.2	66	-149.3	2.7	112	F648 S649 T654 H655	F648-R652 PolarHBondContact O-N 3.21Å; S649-R652 PolarHBondContact O-N 3.41Å; R652-T654 PolarHBondContact O-N 3.11Å; R652-T654 VanDerWaalsContact O-N 3.12Å; R652-H655 PolarHBondContact O-N 3.46Å; R652-H655 VanDerWaalsContact O-N 3.1Å
653	K	81.3	Confident	81	Confident	108 Å²	108	73.5 Å²	73.5	47%	0.47	38%	0.384	S	S	.	.	H	α-helix	trans	-63.2	-6.2	169.2	-73.6	-174.6	165.6	-89	0	115.8	S649 H651 E658	S649-K653 PolarHBondContact O-N 2.88Å; H651-K653 PolarHBondContact O-N 2.86Å; K653-E658 IonicContact NZ-OE2 3.78Å; K653-E658 PolarHBondContact NZ-OE2 3.46Å
654	T	80.3	Confident	81	Confident	63 Å²	63	75.8 Å²	75.8	39%	0.387	40%	0.403	S	S	.	.	H	α-helix	trans	-88	-20.1	171.4	67.2	0	0	0	0	112.8	H651 R652	H651-T654 PolarHBondContact ND1-OG1 2.87Å; H651-T654 WeakPolarHBondContact O-CB 3.25Å; H651-T654 PolarHBondContact O-N 3.5Å; H651-T654 PolarHBondContact O-OG1 2.89Å; R652-T654 PolarHBondContact O-N 3.11Å; R652-T654 VanDerWaalsContact O-N 3.12Å
655	H	79.5	Confident	80.7	Confident	73 Å²	73	79.9 Å²	79.9	34%	0.338	42%	0.421	S	S	.	.	H	α-helix	trans	-86.3	-35.1	177.9	-61.5	-41.9	0	0	0	112.2	C635 E637 C638 H651 R652 G657	C635-H655 PolarHBondContact SG-NE2 3.24Å; E637-H655 WeakPolarHBondContact OE2-CB 3.44Å; E637-H655 IonicContact OE2-CD2 2.77Å; E637-H655 PolarHBondContact OE2-CD2 3.18Å; E637-H655 IonicContact OE2-CG 2.69Å; C638-H655 VanDerWaalsContact SG-CE1 3.54Å; C638-H655 PolarHBondContact SG-NE2 3.45Å; C638-H655 VanDerWaalsContact SG-NE2 3.38Å; H651-H655 AromaticContact CE1-CE1 3.55Å; H651-H655 AromaticContact CE1-NE2 3.28Å; H651-H655 PolarHBondContact CE1-NE2 3.37Å; H651-H655 VanDerWaalsContact CE1-NE2 3.28Å; H651-H655 AromaticContact NE2-NE2 3.5Å; H651-H655 PolarHBondContact NE2-NE2 3.25Å; R652-H655 PolarHBondContact O-N 3.46Å; R652-H655 VanDerWaalsContact O-N 3.1Å; H655-G657 PolarHBondContact O-N 3.23Å
656	T	75.8	Confident	80.7	Confident	80 Å²	80	80.3 Å²	80.3	49%	0.491	42%	0.423	S	S	.	.	S	Bend	trans	-67.3	-2.6	175	59.6	0	0	0	0	114.2	E658	T656-E658 PolarHBondContact O-N 3.16Å
657	G	69.8	Low	80.3	Confident	51 Å²	51	83.1 Å²	83.1	53%	0.526	43%	0.427	S	S	.	.			trans	67.5	-8.3	-179.8	0	0	0	0	0	115.7	H655 K659	H655-G657 PolarHBondContact O-N 3.23Å; G657-K659 PolarHBondContact O-N 3.28Å
658	E	72.6	Confident	80.2	Confident	90 Å²	90	85.9 Å²	85.9	42%	0.421	43%	0.433	S	S	.	.			trans	-50.7	124.1	-175.4	-74.3	175.9	-169.9	0	0	112.3	K653 T656 P660 S671	K653-E658 IonicContact NZ-OE2 3.78Å; K653-E658 PolarHBondContact NZ-OE2 3.46Å; T656-E658 PolarHBondContact O-N 3.16Å; E658-P660 HydrophobicContact CB-CG 4.46Å; E658-S671 WeakPolarHBondContact O-CA 3.39Å; E658-S671 VanDerWaalsContact O-CB 3.27Å; E658-S671 WeakPolarHBondContact O-CB 3.21Å
659	K	74.6	Confident	79.9	Confident	134 Å²	134	85.6 Å²	85.6	58%	0.583	44%	0.439	S	S	*	.			trans	-124.7	69.5	174.2	-73.9	161.7	176.5	171.4	0	110.7	G657 Y661 G669 F670	G657-K659 PolarHBondContact O-N 3.28Å; K659-Y661 PolarHBondContact O-N 3.17Å; K659-G669 WeakPolarHBondContact CD-O 3.4Å; K659-F670 CarbonylContact C-O 3.56Å; K659-F670 VanDerWaalsContact CA-O 3.31Å; K659-F670 WeakPolarHBondContact CA-O 3.5Å
660	P	77.7	Confident	79.7	Confident	85 Å²	85	85 Å²	85	55%	0.552	43%	0.43	S	S	*	.			trans	-67.3	-22.5	-175.2	-18.3	33.3	0	0	0	113.3	E658 R662	E658-P660 HydrophobicContact CB-CG 4.46Å; P660-R662 PolarHBondContact O-N 3.31Å
661	Y	79.9	Confident	79.4	Confident	97 Å²	97	85.3 Å²	85.3	38%	0.38	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	86.6	-174.3	-52.2	-76.4	0	0	0	109.8	K659 F670 N673	K659-Y661 PolarHBondContact O-N 3.17Å; Y661-F670 WeakPolarHBondContact CB-O 3.33Å; Y661-F670 WeakPolarHBondContact CD2-O 3.33Å; Y661-F670 PolarHBondContact N-O 3.12Å; Y661-F670 PolarHBondContact O-N 3.09Å; Y661-N673 HydrophobicContact CD1-CB 3.81Å; Y661-N673 HydrophobicContact CE1-CB 3.71Å; Y661-N673 HydrophobicContact CE2-CB 4.44Å; Y661-N673 HydrophobicContact CG-CB 4.24Å
662	R	82.6	Confident	79.1	Confident	169 Å²	169	88.8 Å²	88.8	64%	0.638	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	149.6	172.6	-65.7	-167.3	-175.9	-156.8	4.7	111.5	P660 E667 L676	P660-R662 PolarHBondContact O-N 3.31Å; R662-E667 IonicContact NH1-OE2 2.55Å; R662-L676 WeakPolarHBondContact O-CD2 3.48Å
663	C	86.9	Confident	79.1	Confident	3 Å²	3	87 Å²	87	2%	0.02	44%	0.444	C	S	.	.			trans	-84.5	133.5	171.4	-168.6	0	0	0	0	111.5	H665 E667 R668 F670 L676	C663-H665 VanDerWaalsContact C-N 3.28Å; C663-H665 PolarHBondContact O-N 3.31Å; C663-E667 WeakPolarHBondContact O-CA 3.37Å; C663-E667 PolarHBondContact O-N 3.31Å; C663-R668 PolarHBondContact N-O 3.07Å; C663-R668 VanDerWaalsContact N-O 3.07Å; C663-F670 HydrophobicContact CB-CE2 4.48Å; C663-L676 HydrophobicContact CB-CD1 3.67Å
664	S	83	Confident	79.2	Confident	91 Å²	91	86 Å²	86	64%	0.636	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.6	176.5	44.1	0	0	0	0	114.4
665	H	78.9	Confident	79.4	Confident	127 Å²	127	84.3 Å²	84.3	59%	0.588	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-10.6	-171.6	-56.9	-76.2	0	0	0	114.6	C663	C663-H665 VanDerWaalsContact C-N 3.28Å; C663-H665 PolarHBondContact O-N 3.31Å
666	C	84.9	Confident	79.7	Confident	59 Å²	59	81.5 Å²	81.5	40%	0.399	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.3	16	-177.8	68.1	0	0	0	0	113.9	R668 H679 H683	C666-R668 PolarHBondContact O-N 3.43Å; C666-H679 PolarHBondContact SG-NE2 3.04Å; C666-H683 PolarHBondContact SG-NE2 2.97Å; C666-H683 VanDerWaalsContact SG-NE2 3.41Å
667	E	74.9	Confident	80.2	Confident	139 Å²	139	80.9 Å²	80.9	65%	0.65	43%	0.427	S	S	*	.			trans	55.1	-7.1	-179	-55.7	-155	172.2	0	0	118.2	R662 C663 G669	R662-E667 IonicContact NH1-OE2 2.55Å; C663-E667 WeakPolarHBondContact O-CA 3.37Å; C663-E667 PolarHBondContact O-N 3.31Å; E667-G669 PolarHBondContact O-N 3.38Å; E667-G669 VanDerWaalsContact O-N 3.13Å
668	R	82.1	Confident	80.9	Confident	170 Å²	170	87.5 Å²	87.5	64%	0.642	44%	0.436	S	S	*	.			trans	-55.4	118.8	-170.5	-165	168.3	-171	148.6	3.1	111.3	C663 C666 F670	C663-R668 PolarHBondContact N-O 3.07Å; C663-R668 VanDerWaalsContact N-O 3.07Å; C666-R668 PolarHBondContact O-N 3.43Å; R668-F670 HydrophobicContact CB-CE2 4.02Å; R668-F670 HydrophobicContact CB-CZ 4.31Å; R668-F670 HydrophobicContact CG-CE2 4.1Å; R668-F670 HydrophobicContact CG-CZ 3.99Å; R668-F670 WeakPolarHBondContact O-CD2 3.49Å; R668-F670 WeakPolarHBondContact O-CE2 3.21Å
669	G	79.8	Confident	81.6	Confident	23 Å²	23	84.9 Å²	84.9	24%	0.237	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.4	-178.1	0	0	0	0	0	113.5	K659 E667	K659-G669 WeakPolarHBondContact CD-O 3.4Å; E667-G669 PolarHBondContact O-N 3.38Å; E667-G669 VanDerWaalsContact O-N 3.13Å
670	F	79.3	Confident	82	Confident	37 Å²	37	81.8 Å²	81.8	16%	0.162	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.5	176.1	-60.4	-89.7	0	0	0	111.1	K659 Y661 C663 R668 K672 A675 L676 H679	K659-F670 CarbonylContact C-O 3.56Å; K659-F670 VanDerWaalsContact CA-O 3.31Å; K659-F670 WeakPolarHBondContact CA-O 3.5Å; Y661-F670 WeakPolarHBondContact CB-O 3.33Å; Y661-F670 WeakPolarHBondContact CD2-O 3.33Å; Y661-F670 PolarHBondContact N-O 3.12Å; Y661-F670 PolarHBondContact O-N 3.09Å; C663-F670 HydrophobicContact CB-CE2 4.48Å; R668-F670 HydrophobicContact CB-CE2 4.02Å; R668-F670 HydrophobicContact CB-CZ 4.31Å; R668-F670 HydrophobicContact CG-CE2 4.1Å; R668-F670 HydrophobicContact CG-CZ 3.99Å; R668-F670 WeakPolarHBondContact O-CD2 3.49Å; R668-F670 WeakPolarHBondContact O-CE2 3.21Å; F670-K672 VanDerWaalsContact C-N 3.33Å; F670-A675 HydrophobicContact CB-CB 4.29Å; F670-A675 HydrophobicContact CD1-CB 3.85Å; F670-A675 HydrophobicContact CG-CB 4.35Å; F670-L676 HydrophobicContact CB-CB 4.32Å; F670-L676 HydrophobicContact CD2-CB 3.94Å; F670-L676 HydrophobicContact CD2-CD1 4.03Å; F670-L676 HydrophobicContact CE2-CD1 4.19Å; F670-L676 HydrophobicContact CG-CB 4.27Å; F670-H679 HydrophobicContact CE1-CB 4.14Å; F670-H679 HydrophobicContact CE2-CB 3.97Å; F670-H679 AromaticContact CE2-CD2 3.43Å; F670-H679 VanDerWaalsContact CE2-CD2 3.43Å; F670-H679 WeakPolarHBondContact CE2-CD2 3.34Å; F670-H679 AromaticContact CE2-CG 3.85Å; F670-H679 HydrophobicContact CZ-CB 3.53Å; F670-H679 AromaticContact CZ-CD2 3.41Å; F670-H679 VanDerWaalsContact CZ-CD2 3.41Å; F670-H679 WeakPolarHBondContact CZ-CD2 3.38Å; F670-H679 AromaticContact CZ-CG 3.41Å; F670-H679 VanDerWaalsContact CZ-CG 3.41Å
671	S	77.2	Confident	82.4	Confident	49 Å²	49	81 Å²	81	34%	0.343	41%	0.405	S	S	.	.	S	Bend	trans	-84.5	-3.8	177	55.1	0	0	0	0	114	E658	E658-S671 WeakPolarHBondContact O-CA 3.39Å; E658-S671 VanDerWaalsContact O-CB 3.27Å; E658-S671 WeakPolarHBondContact O-CB 3.21Å
672	K	78.3	Confident	82.5	Confident	94 Å²	94	79.9 Å²	79.9	41%	0.409	41%	0.408	S	S	.	.	S	Bend	trans	-144	132	-179.8	-62.4	179.8	-177	174.3	0	110.5	F670 S674 A675 L676	F670-K672 VanDerWaalsContact C-N 3.33Å; K672-S674 VanDerWaalsContact C-N 3.3Å; K672-S674 PolarHBondContact O-N 3Å; K672-A675 HydrophobicContact CB-CB 4.45Å; K672-A675 WeakPolarHBondContact O-CB 3.41Å; K672-A675 PolarHBondContact O-N 2.91Å; K672-L676 PolarHBondContact O-N 3.09Å
673	N	81.7	Confident	82.4	Confident	84 Å²	84	73.9 Å²	73.9	45%	0.449	39%	0.387	S	S	.	.	H	α-helix	trans	-56.5	-41.8	-179.7	-166.6	32	0	0	0	112.7	Y661 A675 L676 T677	Y661-N673 HydrophobicContact CD1-CB 3.81Å; Y661-N673 HydrophobicContact CE1-CB 3.71Å; Y661-N673 HydrophobicContact CE2-CB 4.44Å; Y661-N673 HydrophobicContact CG-CB 4.24Å; N673-A675 PolarHBondContact O-N 3.48Å; N673-A675 VanDerWaalsContact O-N 3.15Å; N673-L676 CarbonylContact O-C 3.47Å; N673-L676 WeakPolarHBondContact O-CA 3.47Å; N673-L676 WeakPolarHBondContact O-CB 3.21Å; N673-L676 PolarHBondContact O-N 2.93Å; N673-T677 PolarHBondContact O-N 3.45Å; N673-T677 PolarHBondContact O-OG1 3.45Å; N673-T677 VanDerWaalsContact O-OG1 3.06Å
674	S	84.5	Confident	81.7	Confident	88 Å²	88	76.5 Å²	76.5	62%	0.615	41%	0.406	S	S	*	.	H	α-helix	trans	-63.4	-21.2	178.1	54.3	0	0	0	0	114.5	K672 R678	K672-S674 VanDerWaalsContact C-N 3.3Å; K672-S674 PolarHBondContact O-N 3Å; S674-R678 WeakPolarHBondContact O-CB 3.43Å; S674-R678 PolarHBondContact O-N 3.42Å
675	A	83.6	Confident	81	Confident	28 Å²	28	79.3 Å²	79.3	23%	0.231	41%	0.406	C	S	.	.	H	α-helix	trans	-78.3	-37	170.8	0	0	0	0	0	111.6	F670 K672 N673 H679	F670-A675 HydrophobicContact CB-CB 4.29Å; F670-A675 HydrophobicContact CD1-CB 3.85Å; F670-A675 HydrophobicContact CG-CB 4.35Å; K672-A675 HydrophobicContact CB-CB 4.45Å; K672-A675 WeakPolarHBondContact O-CB 3.41Å; K672-A675 PolarHBondContact O-N 2.91Å; N673-A675 PolarHBondContact O-N 3.48Å; N673-A675 VanDerWaalsContact O-N 3.15Å; A675-H679 WeakPolarHBondContact O-CB 3.34Å; A675-H679 PolarHBondContact O-N 2.94Å
676	L	86.7	Confident	80.2	Confident	13 Å²	13	77.2 Å²	77.2	7%	0.068	40%	0.402	C	S	.	.	H	α-helix	trans	-63.6	-49.7	170.2	170.4	60.3	0	0	0	111.3	R662 C663 F670 K672 N673 R678 H679 Q680	R662-L676 WeakPolarHBondContact O-CD2 3.48Å; C663-L676 HydrophobicContact CB-CD1 3.67Å; F670-L676 HydrophobicContact CB-CB 4.32Å; F670-L676 HydrophobicContact CD2-CB 3.94Å; F670-L676 HydrophobicContact CD2-CD1 4.03Å; F670-L676 HydrophobicContact CE2-CD1 4.19Å; F670-L676 HydrophobicContact CG-CB 4.27Å; K672-L676 PolarHBondContact O-N 3.09Å; N673-L676 CarbonylContact O-C 3.47Å; N673-L676 WeakPolarHBondContact O-CA 3.47Å; N673-L676 WeakPolarHBondContact O-CB 3.21Å; N673-L676 PolarHBondContact O-N 2.93Å; L676-R678 VanDerWaalsContact C-N 3.31Å; L676-R678 PolarHBondContact O-N 3.06Å; L676-H679 CarbonylContact O-C 3.12Å; L676-H679 WeakPolarHBondContact O-CA 3.41Å; L676-H679 WeakPolarHBondContact O-CB 3.45Å; L676-H679 PolarHBondContact O-N 3.48Å; L676-Q680 HydrophobicContact CD1-CG 3.95Å; L676-Q680 HydrophobicContact CG-CG 4.39Å; L676-Q680 WeakPolarHBondContact O-CG 3.37Å; L676-Q680 PolarHBondContact O-N 3.45Å
677	T	84.9	Confident	78.9	Confident	68 Å²	68	79.5 Å²	79.5	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-57.8	-43.4	179.7	-44.3	0	0	0	0	111.8	N673 H679 Q680 T681	N673-T677 PolarHBondContact O-N 3.45Å; N673-T677 PolarHBondContact O-OG1 3.45Å; N673-T677 VanDerWaalsContact O-OG1 3.06Å; T677-H679 VanDerWaalsContact C-N 3.28Å; T677-H679 PolarHBondContact O-N 2.85Å; T677-Q680 PolarHBondContact O-N 2.98Å; T677-T681 PolarHBondContact O-N 2.79Å
678	R	85.7	Confident	77.9	Confident	190 Å²	190	78.1 Å²	78.1	72%	0.717	41%	0.406	S	S	*	.	H	α-helix	trans	-67.8	-25.3	174.3	-172.9	177.4	65.1	170.4	2.3	113.3	S674 L676 T681	S674-R678 WeakPolarHBondContact O-CB 3.43Å; S674-R678 PolarHBondContact O-N 3.42Å; L676-R678 VanDerWaalsContact C-N 3.31Å; L676-R678 PolarHBondContact O-N 3.06Å; R678-T681 PolarHBondContact O-OG1 3.13Å
679	H	85.8	Confident	76.5	Confident	34 Å²	34	73.4 Å²	73.4	16%	0.157	40%	0.399	C	S	.	.	H	α-helix	trans	-79.2	-35.1	173.2	177.9	53.4	0	0	0	112.2	C666 F670 A675 L676 T677 T681 V682 H683	C666-H679 PolarHBondContact SG-NE2 3.04Å; F670-H679 HydrophobicContact CE1-CB 4.14Å; F670-H679 HydrophobicContact CE2-CB 3.97Å; F670-H679 AromaticContact CE2-CD2 3.43Å; F670-H679 VanDerWaalsContact CE2-CD2 3.43Å; F670-H679 WeakPolarHBondContact CE2-CD2 3.34Å; F670-H679 AromaticContact CE2-CG 3.85Å; F670-H679 HydrophobicContact CZ-CB 3.53Å; F670-H679 AromaticContact CZ-CD2 3.41Å; F670-H679 VanDerWaalsContact CZ-CD2 3.41Å; F670-H679 WeakPolarHBondContact CZ-CD2 3.38Å; F670-H679 AromaticContact CZ-CG 3.41Å; F670-H679 VanDerWaalsContact CZ-CG 3.41Å; A675-H679 WeakPolarHBondContact O-CB 3.34Å; A675-H679 PolarHBondContact O-N 2.94Å; L676-H679 CarbonylContact O-C 3.12Å; L676-H679 WeakPolarHBondContact O-CA 3.41Å; L676-H679 WeakPolarHBondContact O-CB 3.45Å; L676-H679 PolarHBondContact O-N 3.48Å; T677-H679 VanDerWaalsContact C-N 3.28Å; T677-H679 PolarHBondContact O-N 2.85Å; H679-T681 PolarHBondContact O-N 2.88Å; H679-V682 VanDerWaalsContact O-CB 3.26Å; H679-V682 WeakPolarHBondContact O-CB 3.25Å; H679-V682 WeakPolarHBondContact O-CG2 3.4Å; H679-V682 PolarHBondContact O-N 3.22Å; H679-H683 AromaticContact CD2-NE2 3.85Å; H679-H683 AromaticContact CE1-NE2 3.55Å; H679-H683 AromaticContact NE2-CD2 4Å; H679-H683 AromaticContact NE2-NE2 3.15Å; H679-H683 PolarHBondContact NE2-NE2 2.85Å; H679-H683 VanDerWaalsContact NE2-NE2 3.15Å
680	Q	84.6	Confident	75.2	Confident	69 Å²	69	75 Å²	75	32%	0.322	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-32.3	173.8	-72	168.6	-57.4	0	0	112	L676 T677 V682 H683 S684	L676-Q680 HydrophobicContact CD1-CG 3.95Å; L676-Q680 HydrophobicContact CG-CG 4.39Å; L676-Q680 WeakPolarHBondContact O-CG 3.37Å; L676-Q680 PolarHBondContact O-N 3.45Å; T677-Q680 PolarHBondContact O-N 2.98Å; Q680-V682 PolarHBondContact O-N 2.65Å; Q680-H683 PolarHBondContact O-N 3.28Å; Q680-S684 PolarHBondContact O-N 2.75Å; Q680-S684 VanDerWaalsContact O-N 3.09Å
681	T	84.4	Confident	73.8	Confident	68 Å²	68	78.9 Å²	78.9	42%	0.417	43%	0.426	S	S	.	.	H	α-helix	trans	-69.6	-5.7	172.3	66.4	0	0	0	0	114.9	T677 R678 H679 S684 K685	T677-T681 PolarHBondContact O-N 2.79Å; R678-T681 PolarHBondContact O-OG1 3.13Å; H679-T681 PolarHBondContact O-N 2.88Å; T681-S684 WeakPolarHBondContact CA-OG 3.39Å; T681-K685 VanDerWaalsContact O-CG 3.28Å; T681-K685 WeakPolarHBondContact O-CG 3.46Å
682	V	83.1	Confident	72.4	Confident	75 Å²	75	83.3 Å²	83.3	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-79.6	-48.6	168.2	-175.6	0	0	0	0	109.1	H679 Q680 S684 K685 V686	H679-V682 VanDerWaalsContact O-CB 3.26Å; H679-V682 WeakPolarHBondContact O-CB 3.25Å; H679-V682 WeakPolarHBondContact O-CG2 3.4Å; H679-V682 PolarHBondContact O-N 3.22Å; Q680-V682 PolarHBondContact O-N 2.65Å; V682-S684 PolarHBondContact O-N 3.07Å; V682-K685 PolarHBondContact O-N 2.86Å; V682-K685 VanDerWaalsContact O-N 3.16Å; V682-V686 WeakPolarHBondContact O-CG2 3.48Å; V682-V686 PolarHBondContact O-N 3.08Å
683	H	80.1	Confident	71	Confident	43 Å²	43	81.4 Å²	81.4	20%	0.199	45%	0.448	C	S	.	.	H	α-helix	trans	-60.2	-43.6	177.1	-61.5	-61.5	0	0	0	111.9	C666 H679 Q680 K685 V686 L687	C666-H683 PolarHBondContact SG-NE2 2.97Å; C666-H683 VanDerWaalsContact SG-NE2 3.41Å; H679-H683 AromaticContact CD2-NE2 3.85Å; H679-H683 AromaticContact CE1-NE2 3.55Å; H679-H683 AromaticContact NE2-CD2 4Å; H679-H683 AromaticContact NE2-NE2 3.15Å; H679-H683 PolarHBondContact NE2-NE2 2.85Å; H679-H683 VanDerWaalsContact NE2-NE2 3.15Å; Q680-H683 PolarHBondContact O-N 3.28Å; H683-K685 VanDerWaalsContact C-N 3.25Å; H683-K685 PolarHBondContact O-N 3.19Å; H683-V686 PolarHBondContact O-N 3.22Å; H683-L687 WeakPolarHBondContact O-CG 3.45Å; H683-L687 PolarHBondContact O-N 2.94Å; H683-L687 VanDerWaalsContact O-N 3.08Å
684	S	73.1	Confident	69.4	Low	58 Å²	58	85.7 Å²	85.7	41%	0.406	46%	0.458	S	S	.	.	H	α-helix	trans	-65.1	-26.8	177.9	73.7	0	0	0	0	113.7	Q680 T681 V682 L688	Q680-S684 PolarHBondContact O-N 2.75Å; Q680-S684 VanDerWaalsContact O-N 3.09Å; T681-S684 WeakPolarHBondContact CA-OG 3.39Å; V682-S684 PolarHBondContact O-N 3.07Å; S684-L688 WeakPolarHBondContact O-CG 3.3Å
685	K	67.6	Low	67.5	Low	149 Å²	149	88 Å²	88	65%	0.648	46%	0.464	S	S	*	.	H	α-helix	trans	-77.2	-42.4	174.7	-76.6	-178.5	176.1	-157.9	0	112.1	T681 V682 H683 L687 L688 S689	T681-K685 VanDerWaalsContact O-CG 3.28Å; T681-K685 WeakPolarHBondContact O-CG 3.46Å; V682-K685 PolarHBondContact O-N 2.86Å; V682-K685 VanDerWaalsContact O-N 3.16Å; H683-K685 VanDerWaalsContact C-N 3.25Å; H683-K685 PolarHBondContact O-N 3.19Å; K685-L687 VanDerWaalsContact C-N 3.27Å; K685-L687 PolarHBondContact O-N 3.3Å; K685-L688 PolarHBondContact O-N 2.86Å; K685-S689 PolarHBondContact O-N 3.08Å; K685-S689 VanDerWaalsContact O-N 3.14Å; K685-S689 PolarHBondContact O-OG 2.91Å
686	V	61.4	Low	65.9	Low	83 Å²	83	92.4 Å²	92.4	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-36.4	177.5	172.7	0	0	0	0	111.3	V682 H683 S689 S690	V682-V686 WeakPolarHBondContact O-CG2 3.48Å; V682-V686 PolarHBondContact O-N 3.08Å; H683-V686 PolarHBondContact O-N 3.22Å; V686-S689 WeakPolarHBondContact CA-OG 3.32Å; V686-S689 PolarHBondContact O-OG 3.32Å; V686-S690 WeakPolarHBondContact O-CB 3.4Å; V686-S690 PolarHBondContact O-N 3.24Å; V686-S690 VanDerWaalsContact O-N 3.13Å; V686-S690 PolarHBondContact O-OG 3.33Å
687	L	57.7	Low	63.7	Low	108 Å²	108	102.2 Å²	102.2	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-63	-47.4	174.8	-71.7	170	0	0	0	112.3	H683 K685 S689 S690 Q691	H683-L687 WeakPolarHBondContact O-CG 3.45Å; H683-L687 PolarHBondContact O-N 2.94Å; H683-L687 VanDerWaalsContact O-N 3.08Å; K685-L687 VanDerWaalsContact C-N 3.27Å; K685-L687 PolarHBondContact O-N 3.3Å; L687-S689 PolarHBondContact O-N 3.26Å; L687-S690 CarbonylContact O-C 3.52Å; L687-S690 WeakPolarHBondContact O-CA 3.32Å; L687-S690 WeakPolarHBondContact O-CB 3.18Å; L687-S690 PolarHBondContact O-N 2.81Å; L687-Q691 PolarHBondContact O-N 2.86Å
688	L	55.3	Low	62.6	Low	109 Å²	109	103.9 Å²	103.9	57%	0.571	55%	0.545	S	S	*	.	H	α-helix	trans	-60.5	-46.6	178.7	-69.8	167.5	0	0	0	112	S684 K685 S690 Q691 E692	S684-L688 WeakPolarHBondContact O-CG 3.3Å; K685-L688 PolarHBondContact O-N 2.86Å; L688-S690 PolarHBondContact O-N 3.23Å; L688-Q691 WeakPolarHBondContact O-CB 3.35Å; L688-Q691 PolarHBondContact O-N 2.7Å; L688-E692 PolarHBondContact O-N 3.47Å; L688-E692 VanDerWaalsContact O-N 3.12Å
689	S	51.6	Low	61.4	Low	71 Å²	71	99.4 Å²	99.4	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-15.5	175.5	56.7	0	0	0	0	114.1	K685 V686 L687 Q691	K685-S689 PolarHBondContact O-N 3.08Å; K685-S689 VanDerWaalsContact O-N 3.14Å; K685-S689 PolarHBondContact O-OG 2.91Å; V686-S689 WeakPolarHBondContact CA-OG 3.32Å; V686-S689 PolarHBondContact O-OG 3.32Å; L687-S689 PolarHBondContact O-N 3.26Å; S689-Q691 VanDerWaalsContact C-N 3.32Å
690	S	52.6	Low	60	Low	56 Å²	56	103 Å²	103	39%	0.392	56%	0.557	S	S	.	*	H	α-helix	trans	-91.9	5.3	173.9	-53.5	0	0	0	0	113.1	V686 L687 L688 R694	V686-S690 WeakPolarHBondContact O-CB 3.4Å; V686-S690 PolarHBondContact O-N 3.24Å; V686-S690 VanDerWaalsContact O-N 3.13Å; V686-S690 PolarHBondContact O-OG 3.33Å; L687-S690 CarbonylContact O-C 3.52Å; L687-S690 WeakPolarHBondContact O-CA 3.32Å; L687-S690 WeakPolarHBondContact O-CB 3.18Å; L687-S690 PolarHBondContact O-N 2.81Å; L688-S690 PolarHBondContact O-N 3.23Å; S690-R694 PolarHBondContact O-NE 3.48Å; S690-R694 PolarHBondContact O-NH2 3.41Å
691	Q	50.9	Low	58.6	Low	119 Å²	119	105 Å²	105	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-115.5	-47.3	-179.3	-153.9	139.9	0.6	0	0	109.8	L687 L688 S689 G693 R694	L687-Q691 PolarHBondContact O-N 2.86Å; L688-Q691 WeakPolarHBondContact O-CB 3.35Å; L688-Q691 PolarHBondContact O-N 2.7Å; S689-Q691 VanDerWaalsContact C-N 3.32Å; Q691-G693 PolarHBondContact O-N 3.1Å; Q691-R694 WeakPolarHBondContact O-CA 3.49Å; Q691-R694 WeakPolarHBondContact O-CB 3.49Å; Q691-R694 PolarHBondContact O-N 3.28Å
692	E	47.5	Very low	57	Low	142 Å²	142	107.3 Å²	107.3	66%	0.664	58%	0.58	S	S	*	*	H	α-helix	trans	-54.7	-34.5	169.3	-65.2	171.2	150.8	0	0	112.6	L688 R694	L688-E692 PolarHBondContact O-N 3.47Å; L688-E692 VanDerWaalsContact O-N 3.12Å; E692-R694 PolarHBondContact O-N 3.28Å
693	G	47.7	Very low	55.2	Low	55 Å²	55	109.5 Å²	109.5	57%	0.567	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	9.6	174.3	0	0	0	0	0	115.5	Q691	Q691-G693 PolarHBondContact O-N 3.1Å
694	R	49.1	Very low	53.4	Low	173 Å²	173	114.2 Å²	114.2	65%	0.653	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	-12.4	-178.9	-139.3	-177.3	-56	-164.3	4	114	S690 Q691 E692 V696	S690-R694 PolarHBondContact O-NE 3.48Å; S690-R694 PolarHBondContact O-NH2 3.41Å; Q691-R694 WeakPolarHBondContact O-CA 3.49Å; Q691-R694 WeakPolarHBondContact O-CB 3.49Å; Q691-R694 PolarHBondContact O-N 3.28Å; E692-R694 PolarHBondContact O-N 3.28Å; R694-V696 VanDerWaalsContact C-N 3.3Å
695	D	43.7	Very low	51.9	Low	138 Å²	138	118.5 Å²	118.5	74%	0.738	63%	0.632	S	S	*	*	S	Bend	trans	-94.5	18.7	174.7	-56.8	-40.2	0	0	0	111.9
696	V	50.1	Low	50.6	Low	119 Å²	119	116 Å²	116	72%	0.721	63%	0.631	S	S	*	*			trans	-134.1	26.3	-176.4	-160.2	0	0	0	0	111.3	R694	R694-V696 VanDerWaalsContact C-N 3.3Å
697	L	39.9	Very low	49.6	Very low	219 Å²	219	119 Å²	119	100%	1.147	64%	0.643	S	S	*	*			trans	-139.3	0	173.5	-74.6	176.4	0	0	0	110

Retrieved 697 of 697 residues in 138.1 ms (Link to these results)

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