A0A3Q0KL00_SCHMA Loading...

Putative zinc finger protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KL00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 607 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	38.2	Very low	37	Very low	196 Å²	196	131.5 Å²	131.5	97%	0.966	65%	0.654	S	S	*	*				0	-57.6	0	-96.6	-164.9	-78.4	0	0	113.2	N3 Y4 L5	M1-N3 PolarHBondContact O-N 3.41Å; M1-Y4 WeakPolarHBondContact O-CA 3.3Å; M1-Y4 VanDerWaalsContact O-CB 3.3Å; M1-Y4 WeakPolarHBondContact O-CB 3.44Å; M1-Y4 PolarHBondContact O-N 3.32Å; M1-L5 PolarHBondContact O-N 3.29Å
2	F	35.5	Very low	36.2	Very low	157 Å²	157	136.8 Å²	136.8	69%	0.689	68%	0.675	S	S	*	*	H	α-helix	trans	-50.1	-58	-177.7	-170.3	-101.5	0	0	0	113.3	Y4 L5 V6	F2-Y4 PolarHBondContact O-N 3.34Å; F2-Y4 VanDerWaalsContact O-N 3.1Å; F2-L5 PolarHBondContact O-N 3.14Å; F2-L5 VanDerWaalsContact O-N 3.08Å; F2-V6 HydrophobicContact CD1-CG2 4.24Å; F2-V6 HydrophobicContact CE1-CG2 4.03Å; F2-V6 HydrophobicContact CZ-CG2 4.28Å; F2-V6 WeakPolarHBondContact O-CG2 3.37Å; F2-V6 PolarHBondContact O-N 2.93Å
3	N	37.7	Very low	35.4	Very low	120 Å²	120	141.5 Å²	141.5	64%	0.642	69%	0.69	S	S	*	*	H	α-helix	trans	-63.6	-17.2	177	-64.2	8.2	0	0	0	114.8	M1 R7	M1-N3 PolarHBondContact O-N 3.41Å; N3-R7 WeakPolarHBondContact O-CB 3.48Å; N3-R7 WeakPolarHBondContact O-CG 3.42Å; N3-R7 PolarHBondContact O-N 2.96Å
4	Y	42.1	Very low	34.9	Very low	169 Å²	169	145.2 Å²	145.2	66%	0.663	71%	0.706	S	S	*	*	H	α-helix	trans	-78.3	-44.8	173.2	-176.7	-84.5	0	0	0	110.3	M1 F2 R7 M8	M1-Y4 WeakPolarHBondContact O-CA 3.3Å; M1-Y4 VanDerWaalsContact O-CB 3.3Å; M1-Y4 WeakPolarHBondContact O-CB 3.44Å; M1-Y4 PolarHBondContact O-N 3.32Å; F2-Y4 PolarHBondContact O-N 3.34Å; F2-Y4 VanDerWaalsContact O-N 3.1Å; Y4-R7 PolarHBondContact O-N 3.29Å; Y4-M8 WeakPolarHBondContact O-CB 3.45Å; Y4-M8 PolarHBondContact O-N 3.1Å
5	L	39.2	Very low	34.2	Very low	95 Å²	95	143.7 Å²	143.7	50%	0.497	71%	0.709	S	S	.	*	H	α-helix	trans	-66.3	-37	175.3	-67.5	170.1	0	0	0	112	M1 F2 M8 F9	M1-L5 PolarHBondContact O-N 3.29Å; F2-L5 PolarHBondContact O-N 3.14Å; F2-L5 VanDerWaalsContact O-N 3.08Å; L5-M8 PolarHBondContact O-N 2.94Å; L5-F9 WeakPolarHBondContact O-CD2 3.35Å; L5-F9 PolarHBondContact O-N 3.47Å
6	V	40.9	Very low	33.6	Very low	65 Å²	65	144.7 Å²	144.7	39%	0.394	72%	0.718	S	S	.	*	H	α-helix	trans	-65.3	-47.5	173.8	174.8	0	0	0	0	111	F2 M8 F9 C10	F2-V6 HydrophobicContact CD1-CG2 4.24Å; F2-V6 HydrophobicContact CE1-CG2 4.03Å; F2-V6 HydrophobicContact CZ-CG2 4.28Å; F2-V6 WeakPolarHBondContact O-CG2 3.37Å; F2-V6 PolarHBondContact O-N 2.93Å; V6-M8 VanDerWaalsContact C-N 3.27Å; V6-M8 PolarHBondContact O-N 3.18Å; V6-F9 PolarHBondContact O-N 3.4Å; V6-C10 WeakPolarHBondContact O-CB 3.47Å; V6-C10 PolarHBondContact O-N 3.35Å
7	R	36.5	Very low	33.3	Very low	207 Å²	207	146 Å²	146	78%	0.781	72%	0.721	S	S	*	*	H	α-helix	trans	-59.9	-36.4	174.8	-79.2	-177.7	172	-173.6	-2.8	112.8	N3 Y4 F9	N3-R7 WeakPolarHBondContact O-CB 3.48Å; N3-R7 WeakPolarHBondContact O-CG 3.42Å; N3-R7 PolarHBondContact O-N 2.96Å; Y4-R7 PolarHBondContact O-N 3.29Å; R7-F9 PolarHBondContact O-N 3.39Å
8	M	41.2	Very low	32.8	Very low	118 Å²	118	148.4 Å²	148.4	58%	0.581	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	0.2	177.4	-151.1	-147.1	85	0	0	114.5	Y4 L5 V6	Y4-M8 WeakPolarHBondContact O-CB 3.45Å; Y4-M8 PolarHBondContact O-N 3.1Å; L5-M8 PolarHBondContact O-N 2.94Å; V6-M8 VanDerWaalsContact C-N 3.27Å; V6-M8 PolarHBondContact O-N 3.18Å
9	F	36.6	Very low	32.4	Very low	157 Å²	157	144.2 Å²	144.2	69%	0.689	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	-9.1	175.9	-94.7	-85.8	0	0	0	113.8	L5 V6 R7	L5-F9 WeakPolarHBondContact O-CD2 3.35Å; L5-F9 PolarHBondContact O-N 3.47Å; V6-F9 PolarHBondContact O-N 3.4Å; R7-F9 PolarHBondContact O-N 3.39Å
10	C	32	Very low	32.1	Very low	108 Å²	108	142.1 Å²	142.1	73%	0.73	72%	0.722	S	S	*	*	S	Bend	trans	-124.9	26.9	-178.1	-59.4	0	0	0	0	112.6	V6	V6-C10 WeakPolarHBondContact O-CB 3.47Å; V6-C10 PolarHBondContact O-N 3.35Å
11	G	27	Very low	31.9	Very low	55 Å²	55	142.8 Å²	142.8	57%	0.567	73%	0.726	S	S	*	*			trans	-157.9	79.4	-177.4	0	0	0	0	0	112.9
12	E	27.8	Very low	31.3	Very low	194 Å²	194	141 Å²	141	91%	0.907	72%	0.721	S	S	*	*			trans	-164.6	62.4	154	-116.8	171.5	-137.6	0	0	108.7
13	F	25.9	Very low	30.8	Very low	198 Å²	198	139.5 Å²	139.5	87%	0.868	72%	0.724	S	S	*	*			trans	-144	49.4	168.5	-110.6	-68.4	0	0	0	109.3
14	E	27.3	Very low	30.3	Very low	194 Å²	194	142.9 Å²	142.9	91%	0.907	74%	0.736	S	S	*	*			trans	-101.9	104.7	162.3	-72.7	178.3	157.9	0	0	106.7
15	T	24.9	Very low	29.7	Very low	122 Å²	122	138.7 Å²	138.7	75%	0.748	74%	0.744	S	S	*	*			trans	-123.5	68.4	173.2	56.3	0	0	0	0	109.5
16	D	25.5	Very low	29.2	Very low	160 Å²	160	141 Å²	141	86%	0.856	76%	0.756	S	S	*	*			trans	-138.2	163.2	161.2	-97.6	-48.3	0	0	0	108.9
17	E	27.4	Very low	28.9	Very low	167 Å²	167	143.3 Å²	143.3	78%	0.78	77%	0.773	S	S	*	*			trans	59.7	58.7	-175.2	-58.1	-138.3	125.7	0	0	116.2	S19	E17-S19 PolarHBondContact O-N 2.93Å
18	L	24.6	Very low	28.6	Very low	190 Å²	190	136.8 Å²	136.8	100%	0.995	77%	0.77	S	S	*	*			trans	-71.6	70.1	147.1	-133.8	177.2	0	0	0	109.4
19	S	25.3	Very low	28.1	Very low	67 Å²	67	137.2 Å²	137.2	47%	0.469	78%	0.779	S	S	.	*			trans	-143.1	161.7	177.1	104.4	0	0	0	0	112.5	E17	E17-S19 PolarHBondContact O-N 2.93Å
20	S	26.4	Very low	27.7	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	78%	0.783	S	S	*	*			trans	67.2	38.4	160.4	-52.3	0	0	0	0	119.3
21	I	28.3	Very low	27.5	Very low	158 Å²	158	139.5 Å²	139.5	81%	0.81	79%	0.788	S	S	*	*			trans	-94.9	93.4	146.1	-62.9	-176.6	0	0	0	108.7	V23	I21-V23 HydrophobicContact CG2-CG2 4.11Å; I21-V23 PolarHBondContact O-N 3.08Å; I21-V23 VanDerWaalsContact O-N 3.14Å
22	N	24.4	Very low	27.6	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	79%	0.793	S	S	*	*			trans	-75.1	94.7	172	-89.1	-37	0	0	0	110.5
23	V	26.4	Very low	27.8	Very low	125 Å²	125	137.1 Å²	137.1	76%	0.758	78%	0.784	S	S	*	*			trans	-134.8	83.1	160.4	-174.1	0	0	0	0	109.4	I21	I21-V23 HydrophobicContact CG2-CG2 4.11Å; I21-V23 PolarHBondContact O-N 3.08Å; I21-V23 VanDerWaalsContact O-N 3.14Å
24	E	26.1	Very low	27.8	Very low	191 Å²	191	132.9 Å²	132.9	89%	0.893	78%	0.779	S	S	*	*			trans	-166.1	129.4	130.9	-115.3	175	-154.1	0	0	112.5	N26	E24-N26 PolarHBondContact O-N 2.99Å
25	G	29.3	Very low	27.9	Very low	80 Å²	80	129.3 Å²	129.3	83%	0.825	78%	0.775	S	S	*	*			trans	-84.6	86.2	162.3	0	0	0	0	0	110.4
26	N	29.3	Very low	28	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	77%	0.772	S	S	*	*	S	Bend	trans	45.7	136.2	133.2	-163.7	57	0	0	0	119.7	E24	E24-N26 PolarHBondContact O-N 2.99Å
27	P	35.6	Very low	27.9	Very low	114 Å²	114	128.5 Å²	128.5	74%	0.74	77%	0.772	S	S	*	*			cis	-135.8	171.5	-37	36.3	-19.7	0	0	0	114.1
28	G	28.8	Very low	27.8	Very low	70 Å²	70	126 Å²	126	72%	0.722	77%	0.773	S	S	*	*			trans	-155.8	67.6	-176.1	0	0	0	0	0	120
29	V	30.8	Very low	27.7	Very low	127 Å²	127	123.3 Å²	123.3	77%	0.77	77%	0.769	S	S	*	*			trans	70	108.2	142.7	-177.5	0	0	0	0	120.8
30	K	29.4	Very low	27.6	Very low	179 Å²	179	123.9 Å²	123.9	78%	0.778	79%	0.785	S	S	*	*			trans	71.6	111.4	142.9	-70.2	175.2	-169.4	176.7	0	120.2
31	T	26.7	Very low	27.4	Very low	134 Å²	134	124.7 Å²	124.7	82%	0.822	79%	0.789	S	S	*	*				64.5	140.2	90.3	65	0	0	0	0	115.7
32	S	30.3	Very low	27.3	Very low	97 Å²	97	124.7 Å²	124.7	68%	0.678	79%	0.789	S	S	*	*			cis	-160.2	167.6	22.9	55.2	0	0	0	0	115.1
33	S	31.6	Very low	27.2	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	79%	0.788	S	S	*	*			trans	64.9	155.1	144.9	56	0	0	0	0	122.4
34	S	26.5	Very low	27.1	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	78%	0.782	S	S	*	*				169.9	113.6	-54.6	50.1	0	0	0	0	112.5
35	S	28.8	Very low	26.9	Very low	119 Å²	119	120.5 Å²	120.5	83%	0.832	78%	0.775	S	S	*	*			trans	175	172.6	154.4	55.6	0	0	0	0	111.6
36	S	26.6	Very low	26.6	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	77%	0.771	S	S	*	*				-172.4	127.2	-85.3	49.8	0	0	0	0	112.6
37	I	24.3	Very low	26.5	Very low	169 Å²	169	119.3 Å²	119.3	87%	0.867	77%	0.766	S	S	*	*			trans	67.4	116	147.5	-57	164.2	0	0	0	119.1
38	S	24.9	Very low	26	Very low	114 Å²	114	122.9 Å²	122.9	80%	0.797	78%	0.777	S	S	*	*				-163.5	162	110.6	70.6	0	0	0	0	111.6
39	C	22.4	Very low	26	Very low	133 Å²	133	126.4 Å²	126.4	90%	0.899	78%	0.78	S	S	*	*			trans	-128.6	157.6	178	-65.4	0	0	0	0	110.8
40	G	22.5	Very low	26	Very low	79 Å²	79	124.5 Å²	124.5	81%	0.814	77%	0.765	S	S	*	*			trans	-157	127.2	167.2	0	0	0	0	0	110.1
41	C	23.1	Very low	26.1	Very low	119 Å²	119	120.6 Å²	120.6	80%	0.804	76%	0.758	S	S	*	*			trans	-115.6	154.8	-177.6	-60.4	0	0	0	0	111.1
42	I	26.5	Very low	26.3	Very low	158 Å²	158	119.3 Å²	119.3	81%	0.81	75%	0.746	S	S	*	*			trans	173.5	111.2	159	-93.2	149.6	0	0	0	103.5
43	E	22.1	Very low	26.5	Very low	174 Å²	174	122.7 Å²	122.7	81%	0.813	75%	0.749	S	S	*	*				55.1	131.2	84.7	-68	-174	-163.4	0	0	112.9
44	S	23	Very low	26.7	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	74%	0.743	S	S	*	*			cis	-165.5	175	16.1	-126.3	0	0	0	0	113.6
45	T	22.5	Very low	27.3	Very low	123 Å²	123	120.4 Å²	120.4	76%	0.755	72%	0.723	S	S	*	*			trans	66.4	118.7	152.2	49.1	0	0	0	0	124.2
46	S	23.2	Very low	27.7	Very low	107 Å²	107	117.6 Å²	117.6	75%	0.748	70%	0.703	S	S	*	*			trans	51.7	122.3	138	63.9	0	0	0	0	121.2
47	S	26.5	Very low	28.4	Very low	92 Å²	92	120.9 Å²	120.9	64%	0.643	70%	0.7	S	S	*	*				-177.8	91.1	70.5	43.8	0	0	0	0	114.4	N49	S47-N49 VanDerWaalsContact C-N 3.3Å; S47-N49 PolarHBondContact O-N 3.23Å
48	L	26.6	Very low	29.4	Very low	188 Å²	188	118 Å²	118	98%	0.984	69%	0.686	S	S	*	*			trans	-77.4	72.9	173	-96.4	164.6	0	0	0	112.2
49	N	27.5	Very low	30.5	Very low	145 Å²	145	116.1 Å²	116.1	78%	0.775	67%	0.666	S	S	*	*			trans	-85.8	120.6	-169.4	-95.2	-38.8	0	0	0	115.2	S47	S47-N49 VanDerWaalsContact C-N 3.3Å; S47-N49 PolarHBondContact O-N 3.23Å
50	N	31.2	Very low	31.6	Very low	86 Å²	86	115.1 Å²	115.1	46%	0.46	65%	0.648	S	S	.	*			trans	80.5	78.2	158.7	-155.5	-10.3	0	0	0	118.7	N52	N50-N52 PolarHBondContact O-N 3.07Å; N50-N52 VanDerWaalsContact O-N 3.11Å; N50-N52 WeakPolarHBondContact OD1-CB 3.42Å; N50-N52 PolarHBondContact OD1-N 2.99Å; N50-N52 PolarHBondContact OD1-ND2 2.98Å
51	P	32.3	Very low	32.8	Very low	98 Å²	98	113.5 Å²	113.5	64%	0.636	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-15	176.3	25.3	-35.2	0	0	0	115.4	K53 I54 S55	P51-K53 VanDerWaalsContact C-N 3.27Å; P51-K53 PolarHBondContact O-N 3.42Å; P51-I54 PolarHBondContact O-N 3.27Å; P51-S55 PolarHBondContact O-N 3.48Å
52	N	30.7	Very low	33.9	Very low	107 Å²	107	110 Å²	110	57%	0.572	60%	0.6	S	S	*	*	H	α-helix	trans	-62.3	-32	-177.6	-62	-66.9	0	0	0	113.1	N50 I54 S56	N50-N52 PolarHBondContact O-N 3.07Å; N50-N52 VanDerWaalsContact O-N 3.11Å; N50-N52 WeakPolarHBondContact OD1-CB 3.42Å; N50-N52 PolarHBondContact OD1-N 2.99Å; N50-N52 PolarHBondContact OD1-ND2 2.98Å; N52-I54 PolarHBondContact O-N 3Å; N52-S56 PolarHBondContact O-N 3Å
53	K	33	Very low	34.9	Very low	167 Å²	167	103.5 Å²	103.5	73%	0.726	57%	0.57	S	S	*	*	H	α-helix	trans	-65.4	-36.2	177	-85	-175.4	172.8	179.4	0	112.9	P51	P51-K53 VanDerWaalsContact C-N 3.27Å; P51-K53 PolarHBondContact O-N 3.42Å
54	I	35.8	Very low	36.1	Very low	116 Å²	116	100.3 Å²	100.3	60%	0.595	56%	0.559	S	S	*	*	H	α-helix	trans	-72	-44.8	-178.6	-61.5	175.7	0	0	0	109.8	P51 N52 S56 R57 I58	P51-I54 PolarHBondContact O-N 3.27Å; N52-I54 PolarHBondContact O-N 3Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.48Å; I54-R57 PolarHBondContact O-N 3.26Å; I54-I58 HydrophobicContact CG2-CD1 3.83Å; I54-I58 WeakPolarHBondContact O-CG1 3.5Å; I54-I58 PolarHBondContact O-N 3.5Å
55	S	39.3	Very low	37.3	Very low	48 Å²	48	100.8 Å²	100.8	34%	0.336	55%	0.549	S	S	.	.	H	α-helix	trans	-54.8	-45.9	177	-174.2	0	0	0	0	112.7	P51 R57 I58 L59	P51-S55 PolarHBondContact O-N 3.48Å; S55-R57 PolarHBondContact O-N 3.33Å; S55-I58 PolarHBondContact O-N 3.39Å; S55-L59 WeakPolarHBondContact O-CG 3.48Å; S55-L59 PolarHBondContact O-N 3.34Å
56	S	37.8	Very low	38.3	Very low	59 Å²	59	100 Å²	100	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-57.9	-48.8	-178.7	-159.8	0	0	0	0	113	N52 I54 I58 L59 E60	N52-S56 PolarHBondContact O-N 3Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.48Å; S56-I58 PolarHBondContact O-N 2.82Å; S56-L59 PolarHBondContact O-N 2.68Å; S56-E60 WeakPolarHBondContact O-CG 3.23Å; S56-E60 PolarHBondContact O-N 2.79Å
57	R	41.3	Very low	39.2	Very low	166 Å²	166	102.9 Å²	102.9	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-66.2	-35.8	-178.8	-80.3	-176.3	168	175.9	-2.5	112.9	I54 S55 E60 D61	I54-R57 PolarHBondContact O-N 3.26Å; S55-R57 PolarHBondContact O-N 3.33Å; R57-E60 PolarHBondContact O-N 3.49Å; R57-D61 PolarHBondContact O-N 2.95Å; R57-D61 VanDerWaalsContact O-N 3.08Å
58	I	46.2	Very low	40	Very low	110 Å²	110	102.6 Å²	102.6	56%	0.564	53%	0.532	S	S	*	.	H	α-helix	trans	-67.7	-39	177.3	-65.5	172.3	0	0	0	110.4	I54 S55 S56 A62	I54-I58 HydrophobicContact CG2-CD1 3.83Å; I54-I58 WeakPolarHBondContact O-CG1 3.5Å; I54-I58 PolarHBondContact O-N 3.5Å; S55-I58 PolarHBondContact O-N 3.39Å; S56-I58 PolarHBondContact O-N 2.82Å; I58-A62 VanDerWaalsContact O-CB 3.31Å; I58-A62 WeakPolarHBondContact O-CB 3.49Å; I58-A62 PolarHBondContact O-N 3.22Å
59	L	46.8	Very low	40.5	Very low	74 Å²	74	100 Å²	100	39%	0.387	52%	0.519	S	S	.	.	H	α-helix	trans	-68	-38.9	175.7	-72.9	163.4	0	0	0	112.7	S55 S56 A62 A63 L88	S55-L59 WeakPolarHBondContact O-CG 3.48Å; S55-L59 PolarHBondContact O-N 3.34Å; S56-L59 PolarHBondContact O-N 2.68Å; L59-A62 PolarHBondContact O-N 3.44Å; L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 2.59Å; L59-L88 HydrophobicContact CD1-CD1 3.81Å; L59-L88 HydrophobicContact CD1-CD2 3.5Å; L59-L88 HydrophobicContact CD1-CG 4.29Å; L59-L88 HydrophobicContact CD2-CD1 3.85Å; L59-L88 HydrophobicContact CG-CD1 4.49Å
60	E	45.7	Very low	40.9	Very low	111 Å²	111	97.5 Å²	97.5	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-62.5	-48.5	174.7	-74.6	166.4	-178.7	0	0	112	S56 R57 A62 A63 L64	S56-E60 WeakPolarHBondContact O-CG 3.23Å; S56-E60 PolarHBondContact O-N 2.79Å; R57-E60 PolarHBondContact O-N 3.49Å; E60-A62 PolarHBondContact O-N 3.45Å; E60-A63 PolarHBondContact O-N 3.49Å; E60-L64 VanDerWaalsContact O-CG 3.32Å; E60-L64 WeakPolarHBondContact O-CG 3.32Å; E60-L64 PolarHBondContact O-N 3.37Å
61	D	47.1	Very low	41.5	Very low	45 Å²	45	101.8 Å²	101.8	24%	0.241	53%	0.528	C	S	.	.	H	α-helix	trans	-66.1	-35.5	177.4	177.5	51.6	0	0	0	112.2	R57 L64 K65	R57-D61 PolarHBondContact O-N 2.95Å; R57-D61 VanDerWaalsContact O-N 3.08Å; D61-L64 PolarHBondContact O-N 3.39Å; D61-K65 WeakPolarHBondContact O-CB 3.5Å; D61-K65 WeakPolarHBondContact O-CD 3.19Å; D61-K65 VanDerWaalsContact O-CG 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.32Å; D61-K65 VanDerWaalsContact OD1-CE 3.26Å; D61-K65 WeakPolarHBondContact OD1-CE 3.28Å; D61-K65 IonicContact OD1-NZ 3.49Å; D61-K65 PolarHBondContact OD1-NZ 3.22Å; D61-K65 VanDerWaalsContact OD2-CE 3.3Å; D61-K65 WeakPolarHBondContact OD2-CE 3.36Å; D61-K65 IonicContact OD2-NZ 2.59Å; D61-K65 PolarHBondContact OD2-NZ 3.37Å
62	A	47.1	Very low	41.9	Very low	45 Å²	45	102 Å²	102	37%	0.372	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-42.3	170.8	0	0	0	0	0	112.4	I58 L59 E60 K65 L66	I58-A62 VanDerWaalsContact O-CB 3.31Å; I58-A62 WeakPolarHBondContact O-CB 3.49Å; I58-A62 PolarHBondContact O-N 3.22Å; L59-A62 PolarHBondContact O-N 3.44Å; E60-A62 PolarHBondContact O-N 3.45Å; A62-K65 PolarHBondContact O-N 3.44Å; A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 3.39Å
63	A	46.7	Very low	42.4	Very low	22 Å²	22	101.5 Å²	101.5	18%	0.182	52%	0.521	C	S	.	.	H	α-helix	trans	-65.6	-40	176.5	0	0	0	0	0	112.2	L59 E60 L66 W67	L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 2.59Å; E60-A63 PolarHBondContact O-N 3.49Å; A63-L66 PolarHBondContact O-N 3.47Å; A63-W67 PolarHBondContact O-N 3.26Å
64	L	48.8	Very low	42.5	Very low	108 Å²	108	103.4 Å²	103.4	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-65.8	-38.6	175.1	-70.8	167.3	0	0	0	112.1	E60 D61 W67 S68	E60-L64 VanDerWaalsContact O-CG 3.32Å; E60-L64 WeakPolarHBondContact O-CG 3.32Å; E60-L64 PolarHBondContact O-N 3.37Å; D61-L64 PolarHBondContact O-N 3.39Å; L64-W67 PolarHBondContact O-N 3.27Å; L64-S68 PolarHBondContact O-N 2.99Å; L64-S68 VanDerWaalsContact O-N 3.13Å
65	K	47.3	Very low	42.6	Very low	100 Å²	100	104.2 Å²	104.2	44%	0.435	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-38.4	173	-75.3	164.7	-179.9	167.4	0	112.1	D61 A62 S68 N69	D61-K65 WeakPolarHBondContact O-CB 3.5Å; D61-K65 WeakPolarHBondContact O-CD 3.19Å; D61-K65 VanDerWaalsContact O-CG 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.32Å; D61-K65 VanDerWaalsContact OD1-CE 3.26Å; D61-K65 WeakPolarHBondContact OD1-CE 3.28Å; D61-K65 IonicContact OD1-NZ 3.49Å; D61-K65 PolarHBondContact OD1-NZ 3.22Å; D61-K65 VanDerWaalsContact OD2-CE 3.3Å; D61-K65 WeakPolarHBondContact OD2-CE 3.36Å; D61-K65 IonicContact OD2-NZ 2.59Å; D61-K65 PolarHBondContact OD2-NZ 3.37Å; A62-K65 PolarHBondContact O-N 3.44Å; K65-S68 PolarHBondContact O-OG 2.92Å; K65-N69 PolarHBondContact O-ND2 2.9Å
66	L	44.3	Very low	42.6	Very low	107 Å²	107	106.2 Å²	106.2	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-64.9	-44.3	172.1	-75.8	166.1	0	0	0	112	A62 A63 S68 N69 L70	A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 3.39Å; A63-L66 PolarHBondContact O-N 3.47Å; L66-S68 VanDerWaalsContact C-N 3.27Å; L66-S68 PolarHBondContact O-N 3.03Å; L66-N69 PolarHBondContact O-N 2.9Å; L66-L70 PolarHBondContact O-N 3.27Å; L66-L70 VanDerWaalsContact O-N 3.16Å
67	W	40.3	Very low	42.9	Very low	167 Å²	167	107.2 Å²	107.2	63%	0.633	53%	0.532	S	S	*	.	H	α-helix	trans	-56.6	-39.3	177.4	-176.5	75.2	0	0	0	112.6	A63 L64 N69 L70	A63-W67 PolarHBondContact O-N 3.26Å; L64-W67 PolarHBondContact O-N 3.27Å; W67-N69 PolarHBondContact O-N 3.1Å; W67-L70 PolarHBondContact O-N 3.45Å
68	S	43.2	Very low	42.9	Very low	85 Å²	85	103.6 Å²	103.6	59%	0.594	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.4	176.9	77.1	0	0	0	0	115	L64 K65 L66	L64-S68 PolarHBondContact O-N 2.99Å; L64-S68 VanDerWaalsContact O-N 3.13Å; K65-S68 PolarHBondContact O-OG 2.92Å; L66-S68 VanDerWaalsContact C-N 3.27Å; L66-S68 PolarHBondContact O-N 3.03Å
69	N	38.9	Very low	42.8	Very low	133 Å²	133	103 Å²	103	71%	0.711	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-15.1	-179.5	-68.9	-76.5	0	0	0	113.6	K65 L66 W67	K65-N69 PolarHBondContact O-ND2 2.9Å; L66-N69 PolarHBondContact O-N 2.9Å; W67-N69 PolarHBondContact O-N 3.1Å
70	L	36.1	Very low	42.7	Very low	93 Å²	93	105 Å²	105	49%	0.487	53%	0.53	S	S	.	.			trans	-123.8	92.2	-171.5	-65.9	175.7	0	0	0	110.8	L66 W67 L72	L66-L70 PolarHBondContact O-N 3.27Å; L66-L70 VanDerWaalsContact O-N 3.16Å; W67-L70 PolarHBondContact O-N 3.45Å; L70-L72 VanDerWaalsContact C-N 3.27Å; L70-L72 HydrophobicContact CB-CD1 4.12Å; L70-L72 PolarHBondContact O-N 2.93Å
71	N	42.8	Very low	42.8	Very low	176 Å²	176	103.6 Å²	103.6	94%	0.941	53%	0.526	S	S	*	.			trans	-73.4	73.7	-175.5	-166.9	76.9	0	0	0	111.9
72	L	40.5	Very low	42.9	Very low	104 Å²	104	106.7 Å²	106.7	55%	0.545	54%	0.542	S	S	.	.			trans	-112.5	144.2	-173.7	-74.3	165.7	0	0	0	112.4	L70	L70-L72 VanDerWaalsContact C-N 3.27Å; L70-L72 HydrophobicContact CB-CD1 4.12Å; L70-L72 PolarHBondContact O-N 2.93Å
73	D	41.5	Very low	43.1	Very low	95 Å²	95	108 Å²	108	51%	0.508	54%	0.542	S	S	.	.			trans	-68.7	142.7	179.8	-61.4	-65.7	0	0	0	113.1	I75 N76	D73-I75 PolarHBondContact O-N 3.08Å; D73-N76 PolarHBondContact O-N 3.27Å
74	R	34.1	Very low	43.1	Very low	208 Å²	208	111.8 Å²	111.8	79%	0.785	56%	0.559	S	S	*	*	H	α-helix	trans	-53.2	-25.9	-166.1	-166.3	177.2	-176.3	-176	1.5	115.8
75	I	37.8	Very low	42.9	Very low	132 Å²	132	108.4 Å²	108.4	68%	0.677	55%	0.545	S	S	*	.	H	α-helix	trans	-73.6	-39.4	-178.7	-63	173.8	0	0	0	111.6	D73 F77	D73-I75 PolarHBondContact O-N 3.08Å; I75-F77 VanDerWaalsContact C-N 3.32Å; I75-F77 PolarHBondContact O-N 3.49Å
76	N	41.1	Very low	42.9	Very low	90 Å²	90	106.1 Å²	106.1	48%	0.481	54%	0.544	S	S	.	.	H	α-helix	trans	-70.4	-31	-179.4	-72.1	-18.8	0	0	0	112	D73 N78 N79 E80	D73-N76 PolarHBondContact O-N 3.27Å; N76-N78 PolarHBondContact O-N 3.36Å; N76-N79 PolarHBondContact O-N 3.07Å; N76-E80 PolarHBondContact O-N 3.04Å
77	F	42.4	Very low	43	Very low	80 Å²	80	106.2 Å²	106.2	35%	0.351	54%	0.54	S	S	.	.	H	α-helix	trans	-57.9	-46.2	177.1	176.4	-98.9	0	0	0	112.4	I75 N79 E80 L81	I75-F77 VanDerWaalsContact C-N 3.32Å; I75-F77 PolarHBondContact O-N 3.49Å; F77-N79 VanDerWaalsContact C-N 3.33Å; F77-N79 PolarHBondContact O-N 3.34Å; F77-E80 PolarHBondContact O-N 3.25Å; F77-L81 HydrophobicContact CE1-CD2 3.96Å; F77-L81 HydrophobicContact CZ-CD2 4.18Å; F77-L81 VanDerWaalsContact O-CB 3.23Å; F77-L81 WeakPolarHBondContact O-CB 3.42Å; F77-L81 PolarHBondContact O-N 3.2Å
78	N	41.7	Very low	43.2	Very low	91 Å²	91	101.4 Å²	101.4	49%	0.487	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-39	-179.7	-72.5	4.7	0	0	0	112.1	N76 L82	N76-N78 PolarHBondContact O-N 3.36Å; N78-L82 WeakPolarHBondContact O-CB 3.49Å; N78-L82 WeakPolarHBondContact O-CG 3.37Å; N78-L82 PolarHBondContact O-N 3.02Å
79	N	44.8	Very low	43.3	Very low	97 Å²	97	104.9 Å²	104.9	52%	0.519	53%	0.526	S	S	.	.	H	α-helix	trans	-71	-42.4	179.9	-68.3	-14.3	0	0	0	112	N76 F77 N83	N76-N79 PolarHBondContact O-N 3.07Å; F77-N79 VanDerWaalsContact C-N 3.33Å; F77-N79 PolarHBondContact O-N 3.34Å; N79-N83 WeakPolarHBondContact O-CB 3.31Å; N79-N83 PolarHBondContact O-N 3.08Å
80	E	45.1	Very low	43.7	Very low	115 Å²	115	104.2 Å²	104.2	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-44.3	172.7	-79.9	-65.2	143.1	0	0	111.6	N76 F77 L82 N83 L84	N76-E80 PolarHBondContact O-N 3.04Å; F77-E80 PolarHBondContact O-N 3.25Å; E80-L82 PolarHBondContact O-N 3.47Å; E80-N83 PolarHBondContact O-N 3.33Å; E80-N83 VanDerWaalsContact O-N 3.16Å; E80-L84 WeakPolarHBondContact O-CB 3.45Å; E80-L84 PolarHBondContact O-N 3.48Å
81	L	46.6	Very low	44	Very low	83 Å²	83	104.3 Å²	104.3	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-41.8	178.5	-171.3	70	0	0	0	111.8	F77 S85	F77-L81 HydrophobicContact CE1-CD2 3.96Å; F77-L81 HydrophobicContact CZ-CD2 4.18Å; F77-L81 VanDerWaalsContact O-CB 3.23Å; F77-L81 WeakPolarHBondContact O-CB 3.42Å; F77-L81 PolarHBondContact O-N 3.2Å; L81-S85 WeakPolarHBondContact O-CB 3.25Å; L81-S85 PolarHBondContact O-N 3.4Å
82	L	49.9	Very low	44.1	Very low	109 Å²	109	99 Å²	99	57%	0.571	49%	0.491	S	S	*	.	H	α-helix	trans	-59.9	-47.1	172.1	-81.5	165.2	0	0	0	111.6	N78 E80 S85 A86	N78-L82 WeakPolarHBondContact O-CB 3.49Å; N78-L82 WeakPolarHBondContact O-CG 3.37Å; N78-L82 PolarHBondContact O-N 3.02Å; E80-L82 PolarHBondContact O-N 3.47Å; L82-S85 PolarHBondContact O-N 2.97Å; L82-S85 PolarHBondContact O-OG 3.04Å; L82-A86 PolarHBondContact O-N 3.38Å
83	N	50.6	Low	44.3	Very low	72 Å²	72	96.5 Å²	96.5	39%	0.385	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-42.2	-179.4	-163.2	-13.6	0	0	0	112.3	N79 E80 A86 K87	N79-N83 WeakPolarHBondContact O-CB 3.31Å; N79-N83 PolarHBondContact O-N 3.08Å; E80-N83 PolarHBondContact O-N 3.33Å; E80-N83 VanDerWaalsContact O-N 3.16Å; N83-A86 PolarHBondContact O-N 3.22Å; N83-K87 WeakPolarHBondContact O-CG 3.41Å; N83-K87 PolarHBondContact O-N 3.25Å; N83-K87 VanDerWaalsContact O-N 3.1Å; N83-K87 WeakPolarHBondContact OD1-CE 3.48Å; N83-K87 PolarHBondContact OD1-NZ 3.08Å
84	L	47.6	Very low	44.5	Very low	103 Å²	103	96.1 Å²	96.1	54%	0.539	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-43.6	170.5	-92.8	136.1	0	0	0	111.9	E80 A86 K87 L88	E80-L84 WeakPolarHBondContact O-CB 3.45Å; E80-L84 PolarHBondContact O-N 3.48Å; L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 3.43Å; L84-K87 PolarHBondContact O-N 2.65Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 PolarHBondContact O-N 2.92Å
85	S	44.2	Very low	44.8	Very low	37 Å²	37	91.4 Å²	91.4	26%	0.259	47%	0.473	S	S	.	.	H	α-helix	trans	-65.8	-27.3	178	83.7	0	0	0	0	113.4	L81 L82 R89	L81-S85 WeakPolarHBondContact O-CB 3.25Å; L81-S85 PolarHBondContact O-N 3.4Å; L82-S85 PolarHBondContact O-N 2.97Å; L82-S85 PolarHBondContact O-OG 3.04Å; S85-R89 WeakPolarHBondContact O-CG 3.3Å; S85-R89 PolarHBondContact O-N 3.09Å; S85-R89 PolarHBondContact O-NE 2.8Å; S85-R89 PolarHBondContact OG-NH2 2.93Å
86	A	48.1	Very low	44.9	Very low	51 Å²	51	89.4 Å²	89.4	42%	0.421	46%	0.463	S	S	.	.	H	α-helix	trans	-73.4	-53.1	174.8	0	0	0	0	0	110.3	L82 N83 L84 L88 R89 E90	L82-A86 PolarHBondContact O-N 3.38Å; N83-A86 PolarHBondContact O-N 3.22Å; L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 3.43Å; A86-L88 VanDerWaalsContact C-N 3.27Å; A86-L88 PolarHBondContact O-N 3.15Å; A86-R89 PolarHBondContact O-N 3.45Å; A86-R89 VanDerWaalsContact O-N 3.1Å; A86-E90 PolarHBondContact O-N 2.84Å
87	K	45.2	Very low	44.9	Very low	110 Å²	110	90.2 Å²	90.2	48%	0.478	47%	0.467	S	S	.	.	H	α-helix	trans	-59.5	-34.8	178	-70.7	170.8	179.9	168.8	0	113.1	N83 L84 N91	N83-K87 WeakPolarHBondContact O-CG 3.41Å; N83-K87 PolarHBondContact O-N 3.25Å; N83-K87 VanDerWaalsContact O-N 3.1Å; N83-K87 WeakPolarHBondContact OD1-CE 3.48Å; N83-K87 PolarHBondContact OD1-NZ 3.08Å; L84-K87 PolarHBondContact O-N 2.65Å; K87-N91 PolarHBondContact O-N 3.43Å; K87-N91 PolarHBondContact O-ND2 3Å
88	L	45.5	Very low	44.9	Very low	65 Å²	65	91.2 Å²	91.2	34%	0.34	47%	0.473	S	S	.	.	H	α-helix	trans	-69.2	-40.7	176.1	-164.1	110.9	0	0	0	111.9	L59 L84 A86 N91 I92	L59-L88 HydrophobicContact CD1-CD1 3.81Å; L59-L88 HydrophobicContact CD1-CD2 3.5Å; L59-L88 HydrophobicContact CD1-CG 4.29Å; L59-L88 HydrophobicContact CD2-CD1 3.85Å; L59-L88 HydrophobicContact CG-CD1 4.49Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 PolarHBondContact O-N 2.92Å; A86-L88 VanDerWaalsContact C-N 3.27Å; A86-L88 PolarHBondContact O-N 3.15Å; L88-N91 PolarHBondContact O-N 3.07Å; L88-I92 HydrophobicContact CD2-CD1 3.74Å; L88-I92 HydrophobicContact CG-CD1 4.23Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.35Å; L88-I92 PolarHBondContact O-N 2.78Å
89	R	44.2	Very low	44.7	Very low	158 Å²	158	93.2 Å²	93.2	60%	0.596	48%	0.479	S	S	*	.	H	α-helix	trans	-64.1	-40.2	174.4	-79.8	178.3	-86	-168.1	-5.9	112	S85 A86 I92 A93	S85-R89 WeakPolarHBondContact O-CG 3.3Å; S85-R89 PolarHBondContact O-N 3.09Å; S85-R89 PolarHBondContact O-NE 2.8Å; S85-R89 PolarHBondContact OG-NH2 2.93Å; A86-R89 PolarHBondContact O-N 3.45Å; A86-R89 VanDerWaalsContact O-N 3.1Å; R89-I92 PolarHBondContact O-N 3.27Å; R89-A93 WeakPolarHBondContact O-CB 3.43Å; R89-A93 PolarHBondContact O-N 2.94Å
90	E	47.7	Very low	44.3	Very low	120 Å²	120	95.2 Å²	95.2	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-59.1	-48	173.7	-175.4	175.9	-146.9	0	0	111.9	A86 I92 A93 I94	A86-E90 PolarHBondContact O-N 2.84Å; E90-I92 PolarHBondContact O-N 2.99Å; E90-A93 PolarHBondContact O-N 2.92Å; E90-I94 HydrophobicContact CG-CD1 4.27Å; E90-I94 WeakPolarHBondContact O-CG1 3.36Å; E90-I94 PolarHBondContact O-N 2.92Å
91	N	43.8	Very low	43.9	Very low	94 Å²	94	96.4 Å²	96.4	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-66.9	-34.1	177.2	-80.4	-93	0	0	0	113.3	K87 L88 N95	K87-N91 PolarHBondContact O-N 3.43Å; K87-N91 PolarHBondContact O-ND2 3Å; L88-N91 PolarHBondContact O-N 3.07Å; N91-N95 PolarHBondContact O-N 2.8Å; N91-N95 VanDerWaalsContact O-N 3.08Å
92	I	44.9	Very low	43.4	Very low	66 Å²	66	98.9 Å²	98.9	34%	0.338	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-42.5	173.8	-70.2	166.4	0	0	0	110.7	L88 R89 E90 I94 N95 L96	L88-I92 HydrophobicContact CD2-CD1 3.74Å; L88-I92 HydrophobicContact CG-CD1 4.23Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.35Å; L88-I92 PolarHBondContact O-N 2.78Å; R89-I92 PolarHBondContact O-N 3.27Å; E90-I92 PolarHBondContact O-N 2.99Å; I92-I94 VanDerWaalsContact C-N 3.35Å; I92-I94 PolarHBondContact O-N 3.07Å; I92-N95 PolarHBondContact O-N 3.12Å; I92-L96 HydrophobicContact CG2-CD1 3.87Å; I92-L96 HydrophobicContact CG2-CG 4.42Å; I92-L96 WeakPolarHBondContact O-CG 3.43Å; I92-L96 PolarHBondContact O-N 3.09Å
93	A	43.1	Very low	42.6	Very low	51 Å²	51	101.5 Å²	101.5	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-39.7	175.9	0	0	0	0	0	112.5	R89 E90 L96 N97	R89-A93 WeakPolarHBondContact O-CB 3.43Å; R89-A93 PolarHBondContact O-N 2.94Å; E90-A93 PolarHBondContact O-N 2.92Å; A93-L96 PolarHBondContact O-N 3.11Å; A93-N97 PolarHBondContact O-N 3.42Å
94	I	46.6	Very low	41.6	Very low	87 Å²	87	106.2 Å²	106.2	45%	0.446	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-45.7	175.2	-69	164	0	0	0	111.2	E90 I92 N97 H98	E90-I94 HydrophobicContact CG-CD1 4.27Å; E90-I94 WeakPolarHBondContact O-CG1 3.36Å; E90-I94 PolarHBondContact O-N 2.92Å; I92-I94 VanDerWaalsContact C-N 3.35Å; I92-I94 PolarHBondContact O-N 3.07Å; I94-N97 PolarHBondContact O-N 2.82Å; I94-H98 PolarHBondContact O-N 3.47Å
95	N	39	Very low	40.7	Very low	108 Å²	108	109.9 Å²	109.9	58%	0.578	55%	0.547	S	S	*	.	H	α-helix	trans	-66	-38.8	178.1	-88.6	-30.6	0	0	0	113	N91 I92 H98 Q99	N91-N95 PolarHBondContact O-N 2.8Å; N91-N95 VanDerWaalsContact O-N 3.08Å; I92-N95 PolarHBondContact O-N 3.12Å; N95-H98 PolarHBondContact O-N 3.46Å; N95-Q99 PolarHBondContact O-N 3.23Å
96	L	41.2	Very low	40.1	Very low	91 Å²	91	114 Å²	114	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-65.5	-40.5	176.1	-71.3	169.7	0	0	0	111.7	I92 A93 H98 Q99 H100	I92-L96 HydrophobicContact CG2-CD1 3.87Å; I92-L96 HydrophobicContact CG2-CG 4.42Å; I92-L96 WeakPolarHBondContact O-CG 3.43Å; I92-L96 PolarHBondContact O-N 3.09Å; A93-L96 PolarHBondContact O-N 3.11Å; L96-H98 PolarHBondContact O-N 3.15Å; L96-Q99 PolarHBondContact O-N 3Å; L96-H100 PolarHBondContact O-CD2 3.31Å; L96-H100 PolarHBondContact O-N 2.74Å
97	N	41.3	Very low	39.1	Very low	106 Å²	106	118.2 Å²	118.2	57%	0.567	59%	0.59	S	S	*	*	H	α-helix	trans	-62	-40.5	172.1	-84.6	-12.2	0	0	0	112.2	A93 I94 Q99 H100 Q101	A93-N97 PolarHBondContact O-N 3.42Å; I94-N97 PolarHBondContact O-N 2.82Å; N97-Q99 VanDerWaalsContact C-N 3.34Å; N97-Q99 PolarHBondContact O-N 3.09Å; N97-H100 PolarHBondContact O-N 3.32Å; N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-N 3.16Å
98	H	41.1	Very low	38.4	Very low	102 Å²	102	119 Å²	119	47%	0.472	60%	0.599	S	S	.	*	H	α-helix	trans	-66	-32.5	175.2	-92.1	-62.1	0	0	0	113.5	I94 N95 L96 N102	I94-H98 PolarHBondContact O-N 3.47Å; N95-H98 PolarHBondContact O-N 3.46Å; L96-H98 PolarHBondContact O-N 3.15Å; H98-N102 PolarHBondContact O-N 3.44Å; H98-N102 PolarHBondContact O-ND2 3.1Å
99	Q	37.4	Very low	37.8	Very low	133 Å²	133	123.1 Å²	123.1	62%	0.621	62%	0.621	S	S	*	*	H	α-helix	trans	-71.5	-38.8	172.7	-73.4	-170.6	-39.1	0	0	112.3	N95 L96 N97 Q101 N102	N95-Q99 PolarHBondContact O-N 3.23Å; L96-Q99 PolarHBondContact O-N 3Å; N97-Q99 VanDerWaalsContact C-N 3.34Å; N97-Q99 PolarHBondContact O-N 3.09Å; Q99-Q101 VanDerWaalsContact C-N 3.35Å; Q99-Q101 PolarHBondContact O-N 3.25Å; Q99-N102 PolarHBondContact O-N 3.47Å
100	H	36.9	Very low	37.3	Very low	138 Å²	138	120.7 Å²	120.7	64%	0.639	63%	0.629	S	S	*	*	H	α-helix	trans	-67.6	-30.5	175.1	-85.9	-73.4	0	0	0	113.8	L96 N97 N102	L96-H100 PolarHBondContact O-CD2 3.31Å; L96-H100 PolarHBondContact O-N 2.74Å; N97-H100 PolarHBondContact O-N 3.32Å; H100-N102 VanDerWaalsContact C-N 3.34Å
101	Q	37.9	Very low	36.5	Very low	141 Å²	141	122.4 Å²	122.4	66%	0.659	64%	0.642	S	S	*	*	H	α-helix	trans	-74.3	-21.1	176.3	-74.5	179.5	-7.8	0	0	113.9	N97 Q99	N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-N 3.16Å; Q99-Q101 VanDerWaalsContact C-N 3.35Å; Q99-Q101 PolarHBondContact O-N 3.25Å
102	N	34.9	Very low	35.9	Very low	135 Å²	135	126.1 Å²	126.1	72%	0.722	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	5.1	-178	-74.2	-22.1	0	0	0	114.6	H98 Q99 H100	H98-N102 PolarHBondContact O-N 3.44Å; H98-N102 PolarHBondContact O-ND2 3.1Å; Q99-N102 PolarHBondContact O-N 3.47Å; H100-N102 VanDerWaalsContact C-N 3.34Å
103	H	34	Very low	35	Very low	164 Å²	164	130 Å²	130	76%	0.759	68%	0.683	S	S	*	*	S	Bend	trans	-115.9	6.7	-178.1	-98.2	-65.7	0	0	0	115.6	H105	H103-H105 PolarHBondContact O-N 3.48Å
104	H	29.3	Very low	34.4	Very low	171 Å²	171	132.5 Å²	132.5	79%	0.792	70%	0.698	S	S	*	*			trans	-94.9	76.5	173	-88.8	-70.6	0	0	0	112.5
105	H	28.6	Very low	33.5	Very low	179 Å²	179	133.8 Å²	133.8	83%	0.829	71%	0.705	S	S	*	*			trans	-149.7	153.8	159.6	-120	54.8	0	0	0	111.2	H103	H103-H105 PolarHBondContact O-N 3.48Å
106	C	31.5	Very low	33	Very low	125 Å²	125	134.6 Å²	134.6	85%	0.845	72%	0.719	S	S	*	*			trans	69	152.2	-165.1	-59.8	0	0	0	0	114.1
107	N	27.8	Very low	32.5	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	73%	0.732	S	S	*	*			trans	-153.3	161.2	-141.1	-133.1	48.5	0	0	0	111.7
108	D	29.7	Very low	32	Very low	128 Å²	128	138.7 Å²	138.7	68%	0.684	74%	0.735	S	S	*	*			trans	77.2	136.2	152.5	-53.3	-35.3	0	0	0	123
109	D	32.2	Very low	31.4	Very low	150 Å²	150	141 Å²	141	80%	0.802	75%	0.75	S	S	*	*			trans	85.6	122.4	149.7	-63.7	-14.9	0	0	0	125.6
110	S	34.9	Very low	31	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	75%	0.752	S	S	*	*			trans	83.3	81.5	152.5	65.8	0	0	0	0	121.2
111	D	31.1	Very low	30.7	Very low	156 Å²	156	139 Å²	139	83%	0.834	76%	0.755	S	S	*	*				41.4	101.2	123.7	-55.9	-13.9	0	0	0	120.4
112	N	30.6	Very low	30.3	Very low	171 Å²	171	139 Å²	139	91%	0.914	76%	0.758	S	S	*	*				-148.6	150.8	122.8	-126.3	-63.1	0	0	0	111.9
113	D	26.8	Very low	29.9	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	76%	0.762	S	S	*	*			trans	-76.8	169.4	-166.1	-118.1	-48.2	0	0	0	114.2
114	S	28.9	Very low	29.5	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	76%	0.755	S	S	*	*	S	Bend	trans	81.7	51.3	164.4	78.6	0	0	0	0	121.1
115	N	29.3	Very low	29.3	Very low	114 Å²	114	136.3 Å²	136.3	61%	0.61	76%	0.76	S	S	*	*			trans	-147.7	-7.5	147.3	-104.1	-51.9	0	0	0	117.7	N117 K118	N115-N117 PolarHBondContact O-N 3.18Å; N115-K118 PolarHBondContact O-N 3.49Å
116	S	27.7	Very low	29.1	Very low	124 Å²	124	132.7 Å²	132.7	87%	0.867	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-8.6	-173.5	-45.2	0	0	0	0	116.2
117	N	30.9	Very low	28.8	Very low	140 Å²	140	133.5 Å²	133.5	75%	0.749	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	0.8	-179.8	-91.2	-39.4	0	0	0	115.5	N115	N115-N117 PolarHBondContact O-N 3.18Å
118	K	30.7	Very low	28.7	Very low	143 Å²	143	136.5 Å²	136.5	62%	0.622	76%	0.758	S	S	*	*	S	Bend	trans	-89.4	-18	-178.6	-84.2	177	-178.4	159.8	0	116.3	N115	N115-K118 PolarHBondContact O-N 3.49Å
119	L	27.8	Very low	28.4	Very low	152 Å²	152	139.6 Å²	139.6	80%	0.796	77%	0.765	S	S	*	*	S	Bend	trans	-81.6	-15.7	176.3	-100.5	93.3	0	0	0	114.4
120	A	29.5	Very low	28	Very low	80 Å²	80	140 Å²	140	66%	0.661	77%	0.765	S	S	*	*	S	Bend	trans	-83.2	-12.9	178.3	0	0	0	0	0	114.3
121	Q	31.2	Very low	27.5	Very low	148 Å²	148	142.5 Å²	142.5	69%	0.692	77%	0.77	S	S	*	*	S	Bend	trans	-99.5	-0.7	-175.2	-68.3	-170.3	-11.3	0	0	114.8	S124	Q121-S124 PolarHBondContact O-OG 2.9Å
122	I	28.8	Very low	27.3	Very low	141 Å²	141	139.8 Å²	139.8	72%	0.723	76%	0.761	S	S	*	*	S	Bend	trans	-91.3	-9.7	-177.2	-65.8	175.6	0	0	0	112.5
123	L	26.4	Very low	27.1	Very low	154 Å²	154	137.4 Å²	137.4	81%	0.806	76%	0.758	S	S	*	*	S	Bend	trans	-99.8	8.3	-178.7	-78.9	166.4	0	0	0	115.2
124	S	26.3	Very low	26.9	Very low	87 Å²	87	138.2 Å²	138.2	61%	0.608	76%	0.761	S	S	*	*	S	Bend	trans	-100.8	-1.7	-173.2	55.5	0	0	0	0	115.7	Q121	Q121-S124 PolarHBondContact O-OG 2.9Å
125	L	25.2	Very low	27	Very low	173 Å²	173	138.2 Å²	138.2	91%	0.906	76%	0.759	S	S	*	*			trans	-106.4	54.9	-177.9	-77.8	169.5	0	0	0	113.6
126	S	24.7	Very low	26.9	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	77%	0.765	S	S	*	*			trans	-139.2	46.7	175.7	65.3	0	0	0	0	113.8	F128	S126-F128 PolarHBondContact O-N 3.3Å; S126-F128 VanDerWaalsContact O-N 3.09Å
127	N	25.2	Very low	26.8	Very low	142 Å²	142	136.8 Å²	136.8	76%	0.759	76%	0.758	S	S	*	*			trans	-82.1	79	176.3	-107.1	-31.2	0	0	0	112.5
128	F	24.2	Very low	26.5	Very low	201 Å²	201	135.8 Å²	135.8	88%	0.882	76%	0.761	S	S	*	*			trans	-137.3	91.2	155.1	-109	-79.1	0	0	0	109.8	S126 I130	S126-F128 PolarHBondContact O-N 3.3Å; S126-F128 VanDerWaalsContact O-N 3.09Å; F128-I130 PolarHBondContact O-N 2.99Å
129	K	24.6	Very low	26.2	Very low	193 Å²	193	133.3 Å²	133.3	84%	0.839	76%	0.761	S	S	*	*			trans	-73.8	116.9	176.6	-77	-178.3	175.6	177.6	0	111
130	I	23.4	Very low	26.4	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	76%	0.764	S	S	*	*			trans	-132.1	115.7	146.4	-58.4	-179.6	0	0	0	106.3	F128	F128-I130 PolarHBondContact O-N 2.99Å
131	N	24.9	Very low	26.3	Very low	160 Å²	160	135.6 Å²	135.6	86%	0.856	77%	0.765	S	S	*	*			trans	-143.4	114.2	178.4	-151	27.4	0	0	0	109.4
132	P	27.3	Very low	25.9	Very low	100 Å²	100	134.6 Å²	134.6	65%	0.649	77%	0.769	S	S	*	*			trans	-98.8	166.3	179.6	36.8	-33.1	0	0	0	113.4
133	S	24.6	Very low	25.9	Very low	121 Å²	121	133.6 Å²	133.6	85%	0.846	78%	0.775	S	S	*	*			trans	92.7	154.8	165.4	77.7	0	0	0	0	119.6
134	L	23.3	Very low	25.7	Very low	164 Å²	164	131.7 Å²	131.7	86%	0.859	77%	0.774	S	S	*	*			trans	-102.8	-172.7	-163.2	-98	70.1	0	0	0	110.7
135	P	30.7	Very low	25.8	Very low	104 Å²	104	133 Å²	133	68%	0.675	78%	0.783	S	S	*	*			cis	-136.7	-177.9	5.7	33.8	-11.9	0	0	0	117.1
136	S	27.3	Very low	25.8	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	78%	0.778	S	S	*	*			trans	66.9	146.4	147.5	52.6	0	0	0	0	120.6
137	S	25	Very low	26	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	78%	0.78	S	S	*	*			cis	-168.3	171.7	-15.2	48.2	0	0	0	0	111.4
138	C	25	Very low	26	Very low	119 Å²	119	135.6 Å²	135.6	80%	0.804	77%	0.773	S	S	*	*			trans	78.7	144.7	175	-59.8	0	0	0	0	116.9
139	S	25.2	Very low	26.3	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	77%	0.767	S	S	*	*			cis	-173.6	161.9	-24.3	48.9	0	0	0	0	109.8
140	Q	31.1	Very low	26.5	Very low	184 Å²	184	130.5 Å²	130.5	86%	0.86	76%	0.759	S	S	*	*			trans	73.2	144.5	175.2	-52.5	176.7	3.3	0	0	115
141	S	27.2	Very low	26.8	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	75%	0.751	S	S	*	*			cis	-162.4	136.8	-17.2	46.8	0	0	0	0	112.3
142	T	24.4	Very low	27.1	Very low	126 Å²	126	125.9 Å²	125.9	77%	0.773	74%	0.739	S	S	*	*			trans	15.1	127	148.1	55	0	0	0	0	121.2
143	S	27.6	Very low	27.3	Very low	121 Å²	121	127.4 Å²	127.4	85%	0.846	74%	0.742	S	S	*	*				173.8	164.6	107.6	-76.1	0	0	0	0	113.4
144	S	23.5	Very low	27.5	Very low	114 Å²	114	127.4 Å²	127.4	80%	0.797	73%	0.733	S	S	*	*			trans	-111.9	179.9	-176.6	-55.5	0	0	0	0	112.9
145	S	28	Very low	27.8	Very low	113 Å²	113	126.5 Å²	126.5	79%	0.79	73%	0.728	S	S	*	*			trans	86.9	154.3	164.6	-50	0	0	0	0	116.2
146	Y	25.9	Very low	27.8	Very low	207 Å²	207	125.5 Å²	125.5	81%	0.812	72%	0.724	S	S	*	*			cis	-179.5	165.8	-34.7	-137.5	-75.7	0	0	0	105.5
147	I	27.8	Very low	27.9	Very low	145 Å²	145	127 Å²	127	74%	0.744	72%	0.724	S	S	*	*			trans	72.1	148.1	164	-64.4	171.7	0	0	0	115.8
148	I	25.3	Very low	28.1	Very low	121 Å²	121	128.4 Å²	128.4	62%	0.621	72%	0.723	S	S	*	*			cis	-176.8	165.9	-39	-118.5	166.6	0	0	0	108.2
149	H	29.8	Very low	28.1	Very low	165 Å²	165	128.5 Å²	128.5	76%	0.764	72%	0.72	S	S	*	*			trans	67.1	158.5	174	-69.3	-48.7	0	0	0	115.7
150	D	29.5	Very low	28.1	Very low	123 Å²	123	131 Å²	131	66%	0.658	73%	0.725	S	S	*	*			cis	-169.7	168.5	-19.5	-114.5	39.9	0	0	0	106.4
151	N	29.5	Very low	27.8	Very low	123 Å²	123	127.7 Å²	127.7	66%	0.658	72%	0.717	S	S	*	*			cis	-163.1	-164.3	-21.9	-138.1	-36.7	0	0	0	104.9
152	T	31.2	Very low	27.6	Very low	98 Å²	98	128.8 Å²	128.8	60%	0.601	72%	0.72	S	S	*	*			cis	-159.9	164.4	1.8	-10.6	0	0	0	0	108.6
153	N	31	Very low	27.6	Very low	131 Å²	131	130.2 Å²	130.2	70%	0.701	72%	0.722	S	S	*	*			trans	66.9	157.8	152.2	-64.1	-14.5	0	0	0	120
154	N	30.4	Very low	27.4	Very low	122 Å²	122	129.3 Å²	129.3	65%	0.652	72%	0.716	S	S	*	*			cis	-171.8	142.2	-33.6	-103.1	-18.4	0	0	0	109.7
155	N	29.8	Very low	27.5	Very low	144 Å²	144	129 Å²	129	77%	0.77	71%	0.709	S	S	*	*			trans	53.2	163.9	149.1	-76.7	-34.9	0	0	0	121.1
156	S	29.4	Very low	27.3	Very low	84 Å²	84	130.3 Å²	130.3	59%	0.587	71%	0.707	S	S	*	*			cis	-172.1	160.3	-38.3	-98.4	0	0	0	0	109.3
157	N	29.5	Very low	27.3	Very low	137 Å²	137	127.6 Å²	127.6	73%	0.733	71%	0.706	S	S	*	*			trans	75.5	119.3	156.5	-62.9	-15	0	0	0	122.1
158	N	28.6	Very low	27.3	Very low	132 Å²	132	128.3 Å²	128.3	71%	0.706	71%	0.707	S	S	*	*				92.6	134.7	123.5	-71.8	-1.7	0	0	0	123.7
159	T	26.7	Very low	27.4	Very low	121 Å²	121	129.3 Å²	129.3	74%	0.742	71%	0.712	S	S	*	*			trans	66.2	151.8	144.7	49.5	0	0	0	0	120
160	I	24.8	Very low	27.3	Very low	142 Å²	142	127 Å²	127	73%	0.728	71%	0.711	S	S	*	*			cis	-176.7	158.6	-36	-119.5	173.5	0	0	0	106.3
161	T	24.6	Very low	26.9	Very low	115 Å²	115	128.8 Å²	128.8	71%	0.706	72%	0.72	S	S	*	*			trans	59.9	112.2	172.1	42.5	0	0	0	0	117.5
162	T	21.8	Very low	26.7	Very low	121 Å²	121	128.5 Å²	128.5	74%	0.742	73%	0.728	S	S	*	*				86.4	157.9	64.2	60.7	0	0	0	0	115.9
163	I	26	Very low	26.3	Very low	155 Å²	155	130.6 Å²	130.6	80%	0.795	74%	0.735	S	S	*	*			trans	85.3	109.4	179.9	-50.4	168.4	0	0	0	111
164	S	22.1	Very low	26	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	74%	0.737	S	S	*	*				71.7	141.5	64.1	-137.1	0	0	0	0	112.4
165	T	26.8	Very low	25.7	Very low	108 Å²	108	130.9 Å²	130.9	66%	0.663	74%	0.741	S	S	*	*			cis	-150.5	146.9	24	50.3	0	0	0	0	114.2
166	N	23	Very low	25.4	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	75%	0.746	S	S	*	*			trans	59	164.6	134.7	-60.2	-4.7	0	0	0	124.1
167	N	26.5	Very low	25	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	75%	0.752	S	S	*	*			trans	83.3	129.2	172.7	-63.2	3.5	0	0	0	114.7
168	E	27	Very low	24.8	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	75%	0.753	S	S	*	*			cis	-141.5	156.7	14.8	-71.1	-164.6	137.3	0	0	115.8
169	I	28.4	Very low	24.7	Very low	143 Å²	143	135.3 Å²	135.3	73%	0.733	76%	0.76	S	S	*	*			trans	65.4	132.2	141.8	-73.3	163.9	0	0	0	120.6
170	P	26.6	Very low	24.6	Very low	116 Å²	116	135 Å²	135	75%	0.753	76%	0.763	S	S	*	*			cis	-131.9	171.6	-25	37.9	-20.5	0	0	0	114.7
171	L	21.4	Very low	24.6	Very low	160 Å²	160	136.5 Å²	136.5	84%	0.838	77%	0.767	S	S	*	*			trans	-97.6	159.7	171.5	-59.3	105.8	0	0	0	112.5
172	S	24.9	Very low	24.6	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	78%	0.775	S	S	*	*			trans	-149.9	147	134.6	66.2	0	0	0	0	111.6
173	L	22.3	Very low	24.7	Very low	142 Å²	142	138.2 Å²	138.2	74%	0.743	78%	0.779	S	S	*	*			trans	-111.4	139.2	159.5	-72.1	78.9	0	0	0	106.9
174	T	26	Very low	24.6	Very low	120 Å²	120	139.2 Å²	139.2	74%	0.736	78%	0.78	S	S	*	*				166	128.3	109.2	36.4	0	0	0	0	112.8
175	N	23.5	Very low	24.6	Very low	138 Å²	138	144.5 Å²	144.5	74%	0.738	79%	0.791	S	S	*	*			trans	60.3	147.9	145.6	-61.1	-14	0	0	0	122.7
176	Y	23.1	Very low	24.3	Very low	223 Å²	223	144.1 Å²	144.1	88%	0.875	80%	0.799	S	S	*	*			trans	77.7	119	166.4	-70.7	-74.1	0	0	0	120.6
177	S	22	Very low	24.3	Very low	102 Å²	102	142.6 Å²	142.6	71%	0.713	80%	0.799	S	S	*	*			trans	85.5	142.6	149.3	-156.7	0	0	0	0	119.7
178	T	24.1	Very low	24.3	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	80%	0.801	S	S	*	*			trans	35.1	92.9	156	46.4	0	0	0	0	117.2
179	V	26.2	Very low	24.2	Very low	142 Å²	142	137.3 Å²	137.3	86%	0.861	80%	0.803	S	S	*	*				-139	105.2	74.7	-177.7	0	0	0	0	111.4
180	S	26	Very low	23.9	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	80%	0.804	S	S	*	*			trans	-134.4	73.8	172.2	-170.9	0	0	0	0	110.6
181	Q	24.2	Very low	23.7	Very low	174 Å²	174	138.3 Å²	138.3	81%	0.813	80%	0.803	S	S	*	*	S	Bend	trans	-173.4	165	167.8	-104.2	155.9	61.7	0	0	109
182	I	24.3	Very low	24	Very low	172 Å²	172	140 Å²	140	88%	0.882	80%	0.804	S	S	*	*	S	Bend	trans	64.6	48.3	177.6	-33.5	-179.3	0	0	0	115.3
183	A	24.2	Very low	23.9	Very low	100 Å²	100	141.3 Å²	141.3	83%	0.826	80%	0.802	S	S	*	*			trans	-127.8	16	156.1	0	0	0	0	0	112.7
184	Q	23.8	Very low	24	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	80%	0.801	S	S	*	*			trans	-110.7	106.3	178.4	-66.6	-179.6	0.3	0	0	109.9
185	F	22.4	Very low	24.1	Very low	214 Å²	214	140.2 Å²	140.2	94%	0.939	81%	0.806	S	S	*	*	S	Bend	trans	169.3	49.3	146.2	-96.8	-64.2	0	0	0	111.3
186	A	21.5	Very low	24.1	Very low	100 Å²	100	137 Å²	137	83%	0.826	81%	0.805	S	S	*	*	S	Bend	trans	-148.8	27.8	-177	0	0	0	0	0	115
187	S	22.8	Very low	24.3	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	81%	0.805	S	S	*	*			trans	-152.7	76.2	-169.6	41.7	0	0	0	0	114.8
188	A	25.7	Very low	24.3	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	81%	0.809	S	S	*	*			trans	-156.9	47.4	164.8	0	0	0	0	0	110.1
189	A	25	Very low	24.4	Very low	96 Å²	96	139.3 Å²	139.3	79%	0.793	82%	0.817	S	S	*	*				77.6	105.6	86.4	0	0	0	0	0	112.4
190	N	21.3	Very low	24.3	Very low	142 Å²	142	141 Å²	141	76%	0.759	82%	0.816	S	S	*	*			trans	-144.2	141.3	168	-144	4.7	0	0	0	105
191	L	24.1	Very low	24.2	Very low	139 Å²	139	141.3 Å²	141.3	73%	0.728	82%	0.816	S	S	*	*			trans	67.1	146.5	-154.4	-60.1	91.2	0	0	0	112
192	F	26.4	Very low	24.3	Very low	196 Å²	196	137.3 Å²	137.3	86%	0.86	81%	0.805	S	S	*	*			cis	-108.4	166.9	17.1	-82.2	-98.6	0	0	0	116
193	N	23	Very low	24.4	Very low	145 Å²	145	136 Å²	136	78%	0.775	81%	0.805	S	S	*	*			trans	-128.6	145.9	171.9	-175.9	22.7	0	0	0	107.7
194	S	24.4	Very low	24.5	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	79%	0.794	S	S	*	*			trans	62.7	147.9	-169.8	82.2	0	0	0	0	114.4
195	T	28.6	Very low	24.5	Very low	134 Å²	134	138.5 Å²	138.5	82%	0.822	80%	0.801	S	S	*	*			cis	-127.9	150.1	-12.4	49.4	0	0	0	0	107.1
196	G	23	Very low	24.6	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	79%	0.791	S	S	*	*			cis	103.5	73.6	37.5	0	0	0	0	0	110.5
197	I	26.6	Very low	24.6	Very low	170 Å²	170	137.9 Å²	137.9	87%	0.872	80%	0.795	S	S	*	*			trans	-162.8	145.1	160.1	-100.8	155.5	0	0	0	107.4
198	D	22.1	Very low	24.8	Very low	148 Å²	148	139 Å²	139	79%	0.791	79%	0.792	S	S	*	*			trans	-83.4	145.8	-162.9	-60.7	-85.1	0	0	0	116.5
199	L	27.5	Very low	24.9	Very low	178 Å²	178	142.4 Å²	142.4	93%	0.932	79%	0.79	S	S	*	*			trans	-139.4	118.6	144.6	-100.7	171.7	0	0	0	109.3
200	H	24.2	Very low	24.9	Very low	178 Å²	178	144.6 Å²	144.6	82%	0.824	79%	0.789	S	S	*	*			trans	-62.2	131.6	-179.1	-95.8	-88.4	0	0	0	112.7
201	C	23.4	Very low	25.2	Very low	119 Å²	119	144.8 Å²	144.8	80%	0.804	79%	0.789	S	S	*	*				-175.1	124.2	107	-163.6	0	0	0	0	112.2
202	P	25.4	Very low	25.3	Very low	91 Å²	91	148 Å²	148	59%	0.591	80%	0.798	S	S	*	*			trans	-94	127.6	178	34.3	-31.5	0	0	0	113.4	N204	P202-N204 PolarHBondContact O-N 3.29Å; P202-N204 VanDerWaalsContact O-N 3.12Å
203	T	26.9	Very low	25.2	Very low	143 Å²	143	145.5 Å²	145.5	88%	0.877	79%	0.792	S	S	*	*			trans	-80.5	85.8	169.4	24.7	0	0	0	0	111.9
204	N	25.8	Very low	25.4	Very low	112 Å²	112	146.2 Å²	146.2	60%	0.599	79%	0.794	S	S	*	*			trans	-67.8	131.8	164.9	-79.6	-47.8	0	0	0	110.9	P202 Y206	P202-N204 PolarHBondContact O-N 3.29Å; P202-N204 VanDerWaalsContact O-N 3.12Å; N204-Y206 HydrophobicContact CB-CD2 3.7Å; N204-Y206 HydrophobicContact CB-CE2 3.55Å; N204-Y206 PolarHBondContact O-N 3.09Å
205	F	24.3	Very low	25.4	Very low	218 Å²	218	147 Å²	147	96%	0.956	80%	0.795	S	S	*	*			trans	-74.9	103.7	164	-88.6	-93.2	0	0	0	109.8
206	Y	24.7	Very low	25.2	Very low	190 Å²	190	145.5 Å²	145.5	75%	0.745	79%	0.79	S	S	*	*			trans	-112.6	127.5	163.6	-76.8	-74.2	0	0	0	110	N204	N204-Y206 HydrophobicContact CB-CD2 3.7Å; N204-Y206 HydrophobicContact CB-CE2 3.55Å; N204-Y206 PolarHBondContact O-N 3.09Å
207	A	22.4	Very low	25.2	Very low	110 Å²	110	146.2 Å²	146.2	91%	0.909	78%	0.784	S	S	*	*			trans	-77	120.1	166.5	0	0	0	0	0	108.8
208	I	25.9	Very low	25.3	Very low	132 Å²	132	149 Å²	149	68%	0.677	79%	0.785	S	S	*	*			trans	-95.1	126.2	175.3	-62.6	177.1	0	0	0	109
209	Q	27.1	Very low	25.3	Very low	174 Å²	174	148.8 Å²	148.8	81%	0.813	78%	0.784	S	S	*	*			trans	-124.6	132.6	162.7	-170.1	169.9	-0.9	0	0	107.6
210	N	26.8	Very low	25.4	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	78%	0.776	S	S	*	*	S	Bend	trans	66.7	56.5	176	-56.4	-8.4	0	0	0	117.5	K212	N210-K212 PolarHBondContact O-N 3.37Å
211	N	26.9	Very low	25.2	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	78%	0.777	S	S	*	*			trans	19.2	85	150.9	-67.6	2.6	0	0	0	119
212	K	27.1	Very low	25.3	Very low	208 Å²	208	143.8 Å²	143.8	90%	0.904	77%	0.773	S	S	*	*			trans	-163.4	147.4	147.2	-111.9	162.4	-174.3	178.7	0	110.9	N210	N210-K212 PolarHBondContact O-N 3.37Å
213	L	23.3	Very low	25.1	Very low	142 Å²	142	148 Å²	148	74%	0.743	78%	0.784	S	S	*	*			trans	-152.1	124	-172.4	-163.4	163.5	0	0	0	109.4	T215	L213-T215 HydrophobicContact CD2-CG2 4.43Å
214	I	26.4	Very low	25.2	Very low	160 Å²	160	148 Å²	148	82%	0.821	78%	0.784	S	S	*	*			trans	-144.9	153.6	176.8	-52.8	-179.9	0	0	0	108.3
215	T	24.3	Very low	25	Very low	122 Å²	122	149.8 Å²	149.8	75%	0.748	79%	0.794	S	S	*	*			trans	-123.9	175.2	-177.2	59.4	0	0	0	0	110.3	L213	L213-T215 HydrophobicContact CD2-CG2 4.43Å
216	S	25.1	Very low	25	Very low	102 Å²	102	147.3 Å²	147.3	71%	0.713	79%	0.789	S	S	*	*			cis	-151.6	-172.1	17.9	67.6	0	0	0	0	114.6
217	S	23.4	Very low	24.9	Very low	87 Å²	87	143.5 Å²	143.5	61%	0.608	80%	0.796	S	S	*	*			trans	-23.7	142.3	161.8	54.6	0	0	0	0	119.5
218	Y	28.5	Very low	25	Very low	228 Å²	228	146.4 Å²	146.4	89%	0.894	79%	0.791	S	S	*	*				-161.5	165.4	109.9	-105.9	-71.7	0	0	0	110.4
219	N	22.5	Very low	24.9	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	79%	0.794	S	S	*	*			trans	-143.4	131.5	177.4	-172.6	46.4	0	0	0	110.2
220	T	28.4	Very low	24.7	Very low	126 Å²	126	145.6 Å²	145.6	77%	0.773	80%	0.798	S	S	*	*			trans	-151.3	144.6	173.3	47.5	0	0	0	0	109.6
221	D	21.6	Very low	24.7	Very low	158 Å²	158	147.1 Å²	147.1	85%	0.845	80%	0.804	S	S	*	*			trans	-69.9	167.6	-173.8	-53.8	-88.8	0	0	0	115.1
222	A	23.9	Very low	24.5	Very low	85 Å²	85	144.9 Å²	144.9	70%	0.702	80%	0.799	S	S	*	*			trans	138.2	124.5	140.3	0	0	0	0	0	114.3
223	H	22.8	Very low	24.5	Very low	179 Å²	179	142.9 Å²	142.9	83%	0.829	80%	0.799	S	S	*	*			trans	35.3	108.8	145.8	-65.6	-100.8	0	0	0	119.8
224	T	27.2	Very low	24.6	Very low	143 Å²	143	141.7 Å²	141.7	88%	0.877	80%	0.802	S	S	*	*				-162.8	137.5	105.8	10.7	0	0	0	0	113
225	N	22.5	Very low	24.6	Very low	150 Å²	150	141.7 Å²	141.7	80%	0.802	80%	0.803	S	S	*	*			trans	-86.6	174.9	152.8	-81.9	-70.5	0	0	0	108.8
226	I	23.5	Very low	24.6	Very low	166 Å²	166	141.1 Å²	141.1	85%	0.851	80%	0.8	S	S	*	*			trans	102	100.8	173.3	-55.9	159.5	0	0	0	113.4
227	A	23.9	Very low	24.5	Very low	110 Å²	110	142.3 Å²	142.3	91%	0.909	80%	0.803	S	S	*	*			trans	-156.8	47.4	162	0	0	0	0	0	110.9
228	E	23.6	Very low	24.4	Very low	172 Å²	172	143.1 Å²	143.1	80%	0.804	81%	0.808	S	S	*	*			trans	-137	146.8	173.4	-145.7	176.3	-143.5	0	0	110.9
229	T	23.9	Very low	24.1	Very low	119 Å²	119	139.1 Å²	139.1	73%	0.73	80%	0.801	S	S	*	*			trans	55	104.9	179.2	54.3	0	0	0	0	118.3
230	L	23.5	Very low	24.1	Very low	170 Å²	170	137.9 Å²	137.9	89%	0.89	80%	0.799	S	S	*	*			trans	-166.6	55.1	130.6	-110.6	176	0	0	0	114.8
231	I	26.2	Very low	23.8	Very low	173 Å²	173	136.3 Å²	136.3	89%	0.887	79%	0.793	S	S	*	*			trans	-132.1	96.9	152.2	-57.5	-177.6	0	0	0	108.3
232	S	22.9	Very low	23.9	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	79%	0.788	S	S	*	*			trans	-144.4	100.4	173.5	-64.4	0	0	0	0	108.7
233	N	26.4	Very low	23.8	Very low	166 Å²	166	136.7 Å²	136.7	89%	0.888	79%	0.787	S	S	*	*			trans	-177.3	91.9	155.3	-96.8	-22.5	0	0	0	110.9
234	S	26.9	Very low	24	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	79%	0.785	S	S	*	*			trans	-156.7	116.3	161.5	-69.3	0	0	0	0	109.4
235	L	25.8	Very low	23.7	Very low	161 Å²	161	133.3 Å²	133.3	84%	0.843	77%	0.774	S	S	*	*			trans	11.6	107	161.8	-80.7	72.9	0	0	0	118.1
236	T	24.9	Very low	23.7	Very low	110 Å²	110	135.2 Å²	135.2	68%	0.675	78%	0.776	S	S	*	*				66.6	101.5	90.6	62.3	0	0	0	0	116.7
237	T	21.8	Very low	23.8	Very low	127 Å²	127	134 Å²	134	78%	0.779	78%	0.775	S	S	*	*				47.4	127.2	130	58.1	0	0	0	0	122.1
238	S	21	Very low	23.6	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	77%	0.771	S	S	*	*				99.7	140.4	127.9	-74.8	0	0	0	0	122.7
239	I	23.8	Very low	23.6	Very low	145 Å²	145	130.8 Å²	130.8	74%	0.744	77%	0.771	S	S	*	*			trans	86.4	95.6	142.6	-71	163	0	0	0	120.5
240	T	21.8	Very low	23.5	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	77%	0.774	S	S	*	*			trans	52.9	125.9	130.9	71.6	0	0	0	0	124.9
241	S	21.5	Very low	23.5	Very low	93 Å²	93	131.4 Å²	131.4	65%	0.65	77%	0.771	S	S	*	*				57.5	124.1	128.9	67.5	0	0	0	0	123.3
242	N	24.4	Very low	23.3	Very low	140 Å²	140	128 Å²	128	75%	0.749	77%	0.768	S	S	*	*				169.9	114.9	118.9	-82.4	-11.2	0	0	0	108.5
243	T	22.1	Very low	23.3	Very low	112 Å²	112	129.6 Å²	129.6	69%	0.687	77%	0.774	S	S	*	*				72.4	131.3	71.1	61.8	0	0	0	0	116
244	N	25.6	Very low	23.2	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	77%	0.766	S	S	*	*			trans	106	136	168.5	-57.3	-8	0	0	0	115.7
245	T	22.4	Very low	22.9	Very low	105 Å²	105	129.8 Å²	129.8	64%	0.644	77%	0.766	S	S	*	*			cis	168.9	146.8	-33.6	28.6	0	0	0	0	107.8
246	F	22	Very low	22.9	Very low	190 Å²	190	129 Å²	129	83%	0.833	77%	0.768	S	S	*	*			trans	65.8	167.2	-179.6	-51.9	-73	0	0	0	113.9
247	V	24.9	Very low	22.7	Very low	140 Å²	140	130.4 Å²	130.4	85%	0.848	77%	0.771	S	S	*	*			cis	-122.7	-171.9	3.9	-157.7	0	0	0	0	109.8
248	S	20.6	Very low	22.7	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	78%	0.775	S	S	*	*			trans	-132.8	139.8	174.6	-52.3	0	0	0	0	112
249	A	23.4	Very low	22.8	Very low	97 Å²	97	135.2 Å²	135.2	80%	0.802	77%	0.773	S	S	*	*			trans	-174.5	104.6	148.3	0	0	0	0	0	114.5
250	N	22.8	Very low	22.7	Very low	148 Å²	148	134.1 Å²	134.1	79%	0.791	77%	0.773	S	S	*	*			trans	27.6	130.9	141.2	-59.6	-9.9	0	0	0	124.2
251	N	21.9	Very low	22.7	Very low	154 Å²	154	136.8 Å²	136.8	82%	0.824	78%	0.775	S	S	*	*			trans	70.8	107.8	136.3	-61.9	-8.9	0	0	0	122
252	A	23.3	Very low	22.7	Very low	101 Å²	101	139.3 Å²	139.3	84%	0.835	78%	0.777	S	S	*	*				-161.1	151.8	115.3	0	0	0	0	0	113
253	T	22.3	Very low	22.6	Very low	132 Å²	132	139.6 Å²	139.6	81%	0.81	77%	0.771	S	S	*	*			trans	-42.4	147.7	172.3	50.7	0	0	0	0	115.6
254	S	23.3	Very low	22.8	Very low	104 Å²	104	139.2 Å²	139.2	73%	0.727	77%	0.769	S	S	*	*				-176.9	161	67.5	51	0	0	0	0	115.3
255	F	21.8	Very low	22.6	Very low	184 Å²	184	138.5 Å²	138.5	81%	0.807	77%	0.766	S	S	*	*			trans	12	125.8	164.3	-70.3	-87.5	0	0	0	122.9
256	T	25.4	Very low	22.7	Very low	144 Å²	144	139.8 Å²	139.8	88%	0.883	77%	0.768	S	S	*	*				-153	147.9	123.7	9.6	0	0	0	0	110.2
257	N	21	Very low	22.8	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	76%	0.76	S	S	*	*			trans	-97.3	120.5	-177.6	-63.6	-55.7	0	0	0	111.1
258	Y	22.4	Very low	22.8	Very low	221 Å²	221	135.4 Å²	135.4	87%	0.867	75%	0.75	S	S	*	*			trans	-150.5	131.1	156	-96.8	-71.2	0	0	0	113.7
259	T	22.4	Very low	22.9	Very low	111 Å²	111	141.2 Å²	141.2	68%	0.681	75%	0.754	S	S	*	*			trans	28.9	100.2	158.8	48.6	0	0	0	0	120	F261	T259-F261 PolarHBondContact O-N 3.5Å
260	T	21.8	Very low	22.9	Very low	121 Å²	121	141 Å²	141	74%	0.742	75%	0.746	S	S	*	*			trans	-69.3	89.4	167.8	-50.2	0	0	0	0	113.1	H262	T260-H262 PolarHBondContact O-N 3.46Å
261	F	21	Very low	22.9	Very low	173 Å²	173	140.5 Å²	140.5	76%	0.759	74%	0.739	S	S	*	*			trans	-83.4	103.9	160.4	-98.1	-87	0	0	0	110.5	T259 F263	T259-F261 PolarHBondContact O-N 3.5Å; F261-F263 VanDerWaalsContact C-N 3.28Å; F261-F263 HydrophobicContact CD1-CE2 4.24Å; F261-F263 PolarHBondContact O-N 2.81Å
262	H	22.2	Very low	22.8	Very low	147 Å²	147	138.6 Å²	138.6	68%	0.681	75%	0.745	S	S	*	*			trans	-77.9	69.7	178	-101.5	-49	0	0	0	112.9	T260 T264	T260-H262 PolarHBondContact O-N 3.46Å; H262-T264 PolarHBondContact O-N 2.92Å
263	F	22.4	Very low	22.8	Very low	145 Å²	145	141.1 Å²	141.1	64%	0.636	74%	0.739	S	S	*	*			trans	-79.6	91.5	154	-79.1	-76	0	0	0	108.8	F261 D265 I448	F261-F263 VanDerWaalsContact C-N 3.28Å; F261-F263 HydrophobicContact CD1-CE2 4.24Å; F261-F263 PolarHBondContact O-N 2.81Å; F263-D265 PolarHBondContact O-N 2.85Å; F263-I448 HydrophobicContact CE1-CG2 4.17Å; F263-I448 HydrophobicContact CE2-CG2 4.21Å; F263-I448 HydrophobicContact CZ-CG2 3.69Å
264	T	25.7	Very low	22.9	Very low	104 Å²	104	139.4 Å²	139.4	64%	0.638	73%	0.733	S	S	*	*			trans	-84.7	93.1	168.7	43.1	0	0	0	0	109	H262 N266	H262-T264 PolarHBondContact O-N 2.92Å; T264-N266 PolarHBondContact O-N 3.47Å
265	D	21.7	Very low	22.9	Very low	132 Å²	132	144 Å²	144	71%	0.706	74%	0.74	S	S	*	*			trans	-57.2	134.1	162.8	-141.6	-19.3	0	0	0	108.2	F263 H434	F263-D265 PolarHBondContact O-N 2.85Å; D265-H434 IonicContact OD2-CE1 2.83Å; D265-H434 IonicContact OD2-ND1 3.6Å
266	N	24.8	Very low	23.2	Very low	132 Å²	132	140.3 Å²	140.3	71%	0.706	73%	0.729	S	S	*	*			trans	-141.3	87.7	-176.1	-130.2	-19.6	0	0	0	110.5	T264	T264-N266 PolarHBondContact O-N 3.47Å
267	S	23.1	Very low	23.4	Very low	95 Å²	95	137 Å²	137	66%	0.664	71%	0.705	S	S	*	*			trans	-16.4	124.2	163.9	-178.1	0	0	0	0	115.3
268	F	25.8	Very low	23.5	Very low	143 Å²	143	139 Å²	139	63%	0.627	71%	0.707	S	S	*	*			trans	-132.2	70	158	-109.8	-83.7	0	0	0	110.7	S270 P523	F268-S270 PolarHBondContact O-N 3.46Å; F268-P523 HydrophobicContact CE2-CB 4.32Å; F268-P523 HydrophobicContact CE2-CG 3.99Å; F268-P523 HydrophobicContact CZ-CB 4.26Å; F268-P523 HydrophobicContact CZ-CG 3.79Å
269	R	22.6	Very low	23.7	Very low	238 Å²	238	130.6 Å²	130.6	90%	0.898	68%	0.679	S	S	*	*			trans	-93.1	60.3	171	-167.3	-162.1	179	-170.1	0.8	111.4
270	S	22.7	Very low	23.9	Very low	92 Å²	92	133.5 Å²	133.5	64%	0.643	69%	0.685	S	S	*	*			trans	-175	70.9	167.8	54.5	0	0	0	0	114.1	F268	F268-S270 PolarHBondContact O-N 3.46Å
271	Q	22.9	Very low	24.2	Very low	139 Å²	139	132.6 Å²	132.6	65%	0.65	68%	0.675	S	S	*	*			trans	-163.1	125.2	147.1	-114.5	159.3	16.9	0	0	110.3	E273	Q271-E273 PolarHBondContact O-N 2.99Å; Q271-E273 VanDerWaalsContact O-N 3.08Å
272	A	21.5	Very low	24.5	Very low	113 Å²	113	129.4 Å²	129.4	93%	0.934	66%	0.663	S	S	*	*			trans	-85	59.6	178.6	0	0	0	0	0	111.1
273	E	22.9	Very low	24.9	Very low	154 Å²	154	126.1 Å²	126.1	72%	0.72	65%	0.649	S	S	*	*			trans	-84.5	126.3	165.9	-70.1	-166.9	160.6	0	0	109.3	Q271 F275	Q271-E273 PolarHBondContact O-N 2.99Å; Q271-E273 VanDerWaalsContact O-N 3.08Å; E273-F275 PolarHBondContact O-N 3.46Å
274	S	24.3	Very low	24.9	Very low	97 Å²	97	125 Å²	125	68%	0.678	66%	0.66	S	S	*	*			trans	-61.8	116.5	-168.4	59.8	0	0	0	0	113.1	N276	S274-N276 VanDerWaalsContact C-N 3.28Å; S274-N276 PolarHBondContact O-N 3.08Å
275	F	23.1	Very low	25.2	Very low	201 Å²	201	127.7 Å²	127.7	88%	0.882	66%	0.659	S	S	*	*			trans	-66.8	84	167.5	-91	-92.7	0	0	0	110.8	E273	E273-F275 PolarHBondContact O-N 3.46Å
276	N	27.4	Very low	25.3	Very low	105 Å²	105	130.2 Å²	130.2	56%	0.561	67%	0.667	S	S	*	*			trans	-82.5	140.2	169.6	-126.6	-48.1	0	0	0	110	S274	S274-N276 VanDerWaalsContact C-N 3.28Å; S274-N276 PolarHBondContact O-N 3.08Å
277	L	29.2	Very low	25.5	Very low	74 Å²	74	128.9 Å²	128.9	39%	0.387	66%	0.663	S	S	.	*			trans	-74.4	151.4	-161.9	-72.8	80.1	0	0	0	113.4	T279 Y414	L277-T279 PolarHBondContact O-N 3.18Å; L277-Y414 HydrophobicContact CD1-CD1 3.55Å; L277-Y414 HydrophobicContact CD1-CE1 3.97Å; L277-Y414 HydrophobicContact CD2-CD1 3.94Å; L277-Y414 HydrophobicContact CD2-CE1 3.95Å; L277-Y414 HydrophobicContact CG-CD1 4.34Å; L277-Y414 HydrophobicContact CG-CE1 4.41Å
278	K	24	Very low	25.5	Very low	182 Å²	182	129.7 Å²	129.7	79%	0.791	67%	0.666	S	S	*	*			trans	-57.3	95.7	167.3	-64.8	169.7	-175.3	162.1	0	109.8	D441	K278-D441 IonicContact NZ-OD1 3.71Å
279	T	27.2	Very low	25.4	Very low	45 Å²	45	132.1 Å²	132.1	28%	0.276	68%	0.679	S	S	.	*			trans	-117	118	163.2	60.7	0	0	0	0	109.1	L277 N281	L277-T279 PolarHBondContact O-N 3.18Å; T279-N281 PolarHBondContact O-N 2.91Å
280	E	25	Very low	25.7	Very low	172 Å²	172	129.4 Å²	129.4	80%	0.804	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	8.4	-169.8	-56.2	-171.5	133.8	0	0	115.1	R361	E280-R361 PolarHBondContact O-NH1 2.91Å
281	N	28.5	Very low	25.8	Very low	101 Å²	101	134 Å²	134	54%	0.54	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	-4.2	-174.5	-72.9	-49	0	0	0	114.4	T279	T279-N281 PolarHBondContact O-N 2.91Å
282	E	27.5	Very low	26.1	Very low	107 Å²	107	135 Å²	135	50%	0.5	70%	0.697	S	S	.	*			trans	-88.8	123.3	-174	-51.3	-152.3	130.8	0	0	113.6	K379	E282-K379 IonicContact OE1-NZ 2.71Å; E282-K379 PolarHBondContact OE1-NZ 3.28Å
283	I	29.8	Very low	26.2	Very low	77 Å²	77	137 Å²	137	40%	0.395	69%	0.692	S	S	.	*			trans	-136.8	137	152.2	-59.1	178.1	0	0	0	107.3	Y285 R361	I283-Y285 HydrophobicContact CB-CD2 4.39Å; I283-Y285 HydrophobicContact CB-CE2 4.24Å; I283-Y285 HydrophobicContact CD1-CE2 3.88Å; I283-Y285 HydrophobicContact CG2-CD1 3.94Å; I283-Y285 HydrophobicContact CG2-CD2 3.58Å; I283-Y285 HydrophobicContact CG2-CE1 3.9Å; I283-Y285 HydrophobicContact CG2-CE2 3.56Å; I283-Y285 HydrophobicContact CG2-CG 3.79Å; I283-R361 VanDerWaalsContact CD1-NE 3.32Å
284	S	23.6	Very low	26.3	Very low	123 Å²	123	136.9 Å²	136.9	86%	0.86	70%	0.696	S	S	*	*			trans	-99.5	123.9	157.2	-178.4	0	0	0	0	107.7
285	Y	31.1	Very low	26.4	Very low	159 Å²	159	138.2 Å²	138.2	62%	0.624	70%	0.702	S	S	*	*			trans	-113.7	131.2	171.3	-78.6	-59.4	0	0	0	109.1	I283	I283-Y285 HydrophobicContact CB-CD2 4.39Å; I283-Y285 HydrophobicContact CB-CE2 4.24Å; I283-Y285 HydrophobicContact CD1-CE2 3.88Å; I283-Y285 HydrophobicContact CG2-CD1 3.94Å; I283-Y285 HydrophobicContact CG2-CD2 3.58Å; I283-Y285 HydrophobicContact CG2-CE1 3.9Å; I283-Y285 HydrophobicContact CG2-CE2 3.56Å; I283-Y285 HydrophobicContact CG2-CG 3.79Å
286	H	24.6	Very low	26.5	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.856	70%	0.698	S	S	*	*			trans	-89.4	128.4	164.7	-148.9	-66.6	0	0	0	107.5
287	V	27.8	Very low	26.4	Very low	104 Å²	104	136.9 Å²	136.9	63%	0.63	70%	0.704	S	S	*	*			trans	-129.6	129.7	176	-177.1	0	0	0	0	107.5
288	P	24.3	Very low	26.3	Very low	112 Å²	112	144 Å²	144	73%	0.727	73%	0.727	S	S	*	*			trans	-62.3	141.5	175.5	-20.8	33.1	0	0	0	111.2	Q290	P288-Q290 PolarHBondContact O-N 3.44Å
289	Q	23.6	Very low	26.5	Very low	194 Å²	194	143.5 Å²	143.5	91%	0.907	73%	0.728	S	S	*	*			trans	-72.6	125	170.4	-70.1	179.2	-15.9	0	0	109.7
290	Q	28.9	Very low	26.5	Very low	182 Å²	182	148 Å²	148	85%	0.85	75%	0.745	S	S	*	*			trans	-126.2	127	155.8	-75.9	-173.3	-28.7	0	0	107.6	P288	P288-Q290 PolarHBondContact O-N 3.44Å
291	Q	24.6	Very low	26.6	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	75%	0.745	S	S	*	*			trans	-77	127.2	175.3	-67.2	167.3	-43.9	0	0	108.8
292	L	28.1	Very low	26.5	Very low	162 Å²	162	150.7 Å²	150.7	85%	0.848	75%	0.754	S	S	*	*			trans	-132.9	126.1	162.8	-77.7	173.6	0	0	0	107.9
293	N	25.3	Very low	26.7	Very low	155 Å²	155	153.9 Å²	153.9	83%	0.829	77%	0.769	S	S	*	*			trans	-77.9	145.2	-174.3	-60.2	-35.2	0	0	0	110.7
294	L	24.3	Very low	26.6	Very low	151 Å²	151	158.6 Å²	158.6	79%	0.791	79%	0.789	S	S	*	*			trans	-82.4	151.4	163.9	-72.8	83.9	0	0	0	110
295	P	26.2	Very low	27	Very low	124 Å²	124	161.1 Å²	161.1	81%	0.805	79%	0.787	S	S	*	*			trans	-108.8	141.2	142	-4.4	24.6	0	0	0	110.8
296	D	25.4	Very low	26.7	Very low	150 Å²	150	162.1 Å²	162.1	80%	0.802	80%	0.798	S	S	*	*			trans	-81.6	125.1	178.4	-61.8	-77.8	0	0	0	113
297	N	25.5	Very low	26.8	Very low	128 Å²	128	161.1 Å²	161.1	68%	0.684	79%	0.793	S	S	*	*				-171.3	135.8	125.6	-131.2	-48.1	0	0	0	112.6
298	Y	27	Very low	26.7	Very low	223 Å²	223	161.6 Å²	161.6	88%	0.875	80%	0.797	S	S	*	*				172.8	143.1	113.3	-107.2	-79.2	0	0	0	111.8
299	H	29.3	Very low	26.8	Very low	173 Å²	173	163.3 Å²	163.3	80%	0.801	81%	0.805	S	S	*	*			trans	-89.1	138.5	-172.8	-110.5	-69	0	0	0	114.3
300	H	25.5	Very low	27.1	Very low	138 Å²	138	162.8 Å²	162.8	64%	0.639	80%	0.8	S	S	*	*			trans	58.8	98.1	131.2	-158	89.2	0	0	0	119.9
301	H	27.8	Very low	27.2	Very low	176 Å²	176	158.6 Å²	158.6	82%	0.815	79%	0.791	S	S	*	*				-141.3	136.9	128.7	-126.7	61.7	0	0	0	112.9
302	Q	26.4	Very low	27.6	Very low	154 Å²	154	154.4 Å²	154.4	72%	0.72	78%	0.775	S	S	*	*			trans	-129	112.4	179.3	172.8	-175.2	-18.6	0	0	108.8
303	Q	31.1	Very low	27.8	Very low	174 Å²	174	152.8 Å²	152.8	81%	0.813	76%	0.761	S	S	*	*			trans	-152.8	153	156.3	-118.6	167.6	69.2	0	0	111.2
304	Q	28.8	Very low	27.9	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	76%	0.756	S	S	*	*			trans	-90.2	137.9	-179.4	-55.6	174.2	15.8	0	0	109.4
305	Q	30.5	Very low	28.3	Very low	176 Å²	176	151.5 Å²	151.5	82%	0.822	76%	0.756	S	S	*	*			trans	-161.8	156.2	140.7	-113.6	151.9	101.1	0	0	112.7
306	Q	26.5	Very low	28.5	Very low	180 Å²	180	151.6 Å²	151.6	84%	0.841	76%	0.755	S	S	*	*			trans	-90.4	125.8	177	-55.3	164.7	12.2	0	0	108.2
307	Q	26.6	Very low	28.4	Very low	164 Å²	164	153.5 Å²	153.5	77%	0.766	76%	0.759	S	S	*	*			trans	-164.6	136.6	160.4	-114.8	153.7	80.6	0	0	114.2
308	T	25	Very low	28.6	Very low	115 Å²	115	154.9 Å²	154.9	71%	0.706	77%	0.766	S	S	*	*			trans	46	116.1	159.5	63.2	0	0	0	0	120	K310	T308-K310 PolarHBondContact O-N 2.99Å
309	T	26.5	Very low	28.6	Very low	147 Å²	147	152.6 Å²	152.6	90%	0.902	76%	0.764	S	S	*	*			trans	-73.2	85.8	159.6	49.4	0	0	0	0	110.6
310	K	29.8	Very low	28.4	Very low	184 Å²	184	152.7 Å²	152.7	80%	0.8	76%	0.764	S	S	*	*			trans	-60.9	139.8	164.9	-83.9	-172.1	173.2	-178.2	0	110.2	T308 N312	T308-K310 PolarHBondContact O-N 2.99Å; K310-N312 PolarHBondContact O-N 3.28Å
311	S	31.2	Very low	28.6	Very low	93 Å²	93	154.2 Å²	154.2	65%	0.65	78%	0.776	S	S	*	*			trans	-80.4	109.4	-170.2	33.8	0	0	0	0	111.8	F313	S311-F313 PolarHBondContact O-N 3.06Å
312	N	31.9	Very low	28.5	Very low	100 Å²	100	152.5 Å²	152.5	54%	0.535	77%	0.772	S	S	.	*			trans	-76.7	56.5	168.7	-73.4	-8.4	0	0	0	111.4	K310	K310-N312 PolarHBondContact O-N 3.28Å
313	F	33.1	Very low	28.5	Very low	128 Å²	128	153.1 Å²	153.1	56%	0.561	78%	0.78	S	S	*	*			trans	-91.2	147.2	166.4	-82	-109.7	0	0	0	109	S311 T342	S311-F313 PolarHBondContact O-N 3.06Å; F313-T342 HydrophobicContact CE1-CG2 3.87Å
314	C	28.2	Very low	28.2	Very low	106 Å²	106	149.8 Å²	149.8	72%	0.716	78%	0.776	S	S	*	*			trans	-121.5	93.6	169.9	-175.7	0	0	0	0	105.8
315	E	32.2	Very low	28.2	Very low	172 Å²	172	147.8 Å²	147.8	80%	0.804	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.2	135.5	174.1	-67.6	177.2	138	0	0	108.6
316	T	29.3	Very low	28	Very low	126 Å²	126	147.5 Å²	147.5	77%	0.773	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.3	136.7	159.6	44.4	0	0	0	0	107.6	D318	T316-D318 PolarHBondContact O-N 3.31Å
317	Q	24.9	Very low	27.9	Very low	191 Å²	191	146 Å²	146	89%	0.893	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-61.5	124.3	179.8	-64	167.8	-90.3	0	0	110.4
318	D	28.8	Very low	27.8	Very low	156 Å²	156	146.1 Å²	146.1	83%	0.834	77%	0.77	S	S	*	*			trans	-147.5	148.5	153.3	-85.3	-48.8	0	0	0	106.2	T316	T316-D318 PolarHBondContact O-N 3.31Å
319	E	27.6	Very low	27.8	Very low	176 Å²	176	149 Å²	149	82%	0.822	78%	0.775	S	S	*	*			trans	-91.2	151.4	-157.7	-63.7	-171.9	115.8	0	0	115.3
320	Q	24.8	Very low	27.7	Very low	174 Å²	174	147.1 Å²	147.1	81%	0.813	77%	0.768	S	S	*	*			trans	22	119.7	151.8	-54	-179.1	28.4	0	0	119.3
321	I	30	Very low	27.4	Very low	171 Å²	171	148.2 Å²	148.2	88%	0.877	77%	0.772	S	S	*	*				-158.3	140.4	120.8	-101.7	151.5	0	0	0	108.9
322	N	24.3	Very low	27.3	Very low	139 Å²	139	149.7 Å²	149.7	74%	0.743	78%	0.78	S	S	*	*			trans	-75.5	153.8	178.6	-71.2	-43.3	0	0	0	111.8
323	N	27.3	Very low	26.9	Very low	167 Å²	167	150.2 Å²	150.2	89%	0.893	79%	0.791	S	S	*	*				-170.3	160	109.9	-92.6	-24.9	0	0	0	113.3
324	S	25.2	Very low	26.6	Very low	104 Å²	104	151.2 Å²	151.2	73%	0.727	81%	0.808	S	S	*	*			trans	-106.6	150.1	-167.6	-54.1	0	0	0	0	112.3
325	V	28.6	Very low	26.4	Very low	135 Å²	135	154.6 Å²	154.6	82%	0.818	81%	0.813	S	S	*	*			trans	67.3	135.9	144.7	166.4	0	0	0	0	116.1
326	E	25.2	Very low	26.4	Very low	170 Å²	170	152.5 Å²	152.5	79%	0.794	81%	0.807	S	S	*	*			cis	-146.3	-167.3	6	-140.8	178.8	-158	0	0	112.8
327	L	24.4	Very low	26.4	Very low	147 Å²	147	153.9 Å²	153.9	77%	0.77	81%	0.808	S	S	*	*			trans	-101.8	142.2	-170.4	-156.6	83.9	0	0	0	112.5
328	K	25.7	Very low	26.8	Very low	168 Å²	168	152.9 Å²	152.9	73%	0.73	80%	0.801	S	S	*	*			trans	-178.6	120.7	134.1	-95.5	142	-161.6	158.9	0	115.2
329	Q	24.6	Very low	26.9	Very low	176 Å²	176	149.9 Å²	149.9	82%	0.822	79%	0.788	S	S	*	*			trans	46.9	117.8	134.8	-52.9	174.1	4.9	0	0	118.8
330	S	23.8	Very low	27.3	Very low	107 Å²	107	150.3 Å²	150.3	75%	0.748	79%	0.787	S	S	*	*				176.6	155.7	69.4	53.1	0	0	0	0	115.3
331	K	24.5	Very low	28.4	Very low	206 Å²	206	149 Å²	149	90%	0.896	78%	0.782	S	S	*	*			trans	62.7	156.7	162.8	-72.3	-178.4	179.5	177.6	0	119.5
332	P	28.8	Very low	29.3	Very low	125 Å²	125	144.3 Å²	144.3	81%	0.812	76%	0.761	S	S	*	*			trans	-117.5	101.7	-160.8	35.7	-18.4	0	0	0	113.3
333	S	22.7	Very low	31.6	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	74%	0.74	S	S	*	*			trans	-125.4	149.2	169.9	-69.9	0	0	0	0	111	E335	S333-E335 PolarHBondContact O-N 3.44Å
334	T	27.8	Very low	34.2	Very low	150 Å²	150	136 Å²	136	92%	0.92	71%	0.711	S	S	*	*			trans	-38.7	95.3	177	47	0	0	0	0	115.6
335	E	24.7	Very low	36.8	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	69%	0.686	S	S	*	*			trans	-113	131.3	166.3	-88	-153.6	117.4	0	0	113	S333	S333-E335 PolarHBondContact O-N 3.44Å
336	L	30.8	Very low	39.5	Very low	129 Å²	129	126.1 Å²	126.1	68%	0.675	65%	0.648	S	S	*	*			trans	21.3	113.6	154.5	-109.5	66.2	0	0	0	119.6	K338	L336-K338 VanDerWaalsContact C-N 3.28Å; L336-K338 HydrophobicContact CB-CG 4.24Å; L336-K338 HydrophobicContact CD2-CG 4.11Å; L336-K338 PolarHBondContact O-N 3.47Å
337	I	30.6	Very low	42.2	Very low	155 Å²	155	121.8 Å²	121.8	80%	0.795	64%	0.636	S	S	*	*			trans	-67.4	86.1	155.6	-57.4	173.5	0	0	0	108	T339	I337-T339 PolarHBondContact O-N 3.32Å
338	K	31.7	Very low	44.9	Very low	170 Å²	170	120.2 Å²	120.2	74%	0.739	63%	0.627	S	S	*	*			trans	-74.1	117.7	176.4	-86.7	177.7	-179.9	173.8	0	111.1	L336 K340	L336-K338 VanDerWaalsContact C-N 3.28Å; L336-K338 HydrophobicContact CB-CG 4.24Å; L336-K338 HydrophobicContact CD2-CG 4.11Å; L336-K338 PolarHBondContact O-N 3.47Å; K338-K340 PolarHBondContact O-N 3.23Å; K338-K340 VanDerWaalsContact O-N 3.08Å
339	T	31.4	Very low	47.6	Very low	92 Å²	92	114.9 Å²	114.9	56%	0.564	61%	0.611	S	S	*	*			trans	-77.1	85.7	-172.3	42	0	0	0	0	113.2	I337	I337-T339 PolarHBondContact O-N 3.32Å
340	K	36.8	Very low	50.3	Low	185 Å²	185	116.4 Å²	116.4	80%	0.804	61%	0.609	S	S	*	*			trans	-131.4	106	149.4	-77.4	-168.3	175.5	-175	0	108.7	K338 T342	K338-K340 PolarHBondContact O-N 3.23Å; K338-K340 VanDerWaalsContact O-N 3.08Å; K340-T342 VanDerWaalsContact C-N 3.29Å; K340-T342 PolarHBondContact O-N 3Å
341	Q	47.2	Very low	52.7	Low	148 Å²	148	116.1 Å²	116.1	69%	0.692	60%	0.596	S	S	*	*			trans	-71.3	85.2	177.9	-69.8	-165.9	18.7	0	0	110.7	L343	Q341-L343 PolarHBondContact O-N 3.32Å
342	T	49.7	Very low	55.4	Low	72 Å²	72	114.3 Å²	114.3	44%	0.442	58%	0.583	S	S	.	*			trans	-74.8	86.4	-178.3	39.6	0	0	0	0	110.7	F313 K340 Y344	F313-T342 HydrophobicContact CE1-CG2 3.87Å; K340-T342 VanDerWaalsContact C-N 3.29Å; K340-T342 PolarHBondContact O-N 3Å; T342-Y344 WeakPolarHBondContact O-CD2 3.33Å; T342-Y344 PolarHBondContact O-N 2.79Å
343	L	71.8	Confident	58	Low	59 Å²	59	109.5 Å²	109.5	31%	0.309	55%	0.549	S	S	.	.			trans	-66.2	117.5	177	-62.5	179.4	0	0	0	110.8	Q341 C345 R352 H354	Q341-L343 PolarHBondContact O-N 3.32Å; L343-C345 PolarHBondContact O-N 3.08Å; L343-R352 HydrophobicContact CB-CB 4.24Å; L343-R352 HydrophobicContact CB-CG 4.4Å; L343-R352 HydrophobicContact CD1-CB 4.35Å; L343-H354 WeakPolarHBondContact CD2-CD2 3.11Å
344	Y	81.6	Confident	60.5	Low	71 Å²	71	110.1 Å²	110.1	28%	0.278	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	115.1	179.3	-67.6	-88.4	0	0	0	110	T342 R352 F353 N356	T342-Y344 WeakPolarHBondContact O-CD2 3.33Å; T342-Y344 PolarHBondContact O-N 2.79Å; Y344-R352 CarbonylContact O-C 3.59Å; Y344-F353 PolarHBondContact N-O 3.18Å; Y344-F353 PolarHBondContact O-N 3.5Å; Y344-N356 HydrophobicContact CD1-CB 3.92Å; Y344-N356 HydrophobicContact CD2-CB 4.42Å; Y344-N356 HydrophobicContact CE1-CB 3.64Å; Y344-N356 WeakPolarHBondContact CE1-ND2 3.3Å; Y344-N356 HydrophobicContact CE2-CB 4.14Å; Y344-N356 VanDerWaalsContact CE2-N 3.28Å; Y344-N356 HydrophobicContact CG-CB 4.3Å
345	C	79.5	Confident	63	Low	31 Å²	31	105.4 Å²	105.4	21%	0.209	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.5	-176.7	-164.6	0	0	0	0	111.9	L343 L359	L343-C345 PolarHBondContact O-N 3.08Å; C345-L359 WeakPolarHBondContact O-CD2 3.49Å
346	C	85.7	Confident	65.6	Low	1 Å²	1	99.9 Å²	99.9	1%	0.007	49%	0.489	C	S	.	.			trans	-76.1	120.8	168.2	177.8	0	0	0	0	110.7	I348 C349 R350 Q351 F353 L359 H362 N363 H367	C346-I348 PolarHBondContact O-N 3.03Å; C346-I348 PolarHBondContact SG-N 2.94Å; C346-I348 VanDerWaalsContact SG-N 3.39Å; C346-C349 PolarHBondContact SG-N 3.28Å; C346-C349 VanDerWaalsContact SG-N 3.44Å; C346-C349 VanDerWaalsContact SG-SG 3.64Å; C346-R350 WeakPolarHBondContact O-CA 3.32Å; C346-R350 PolarHBondContact O-N 3.43Å; C346-Q351 PolarHBondContact N-O 3.33Å; C346-F353 HydrophobicContact CB-CE2 4.47Å; C346-L359 HydrophobicContact CB-CD1 3.75Å; C346-H362 WeakPolarHBondContact CB-NE2 3.44Å; C346-H362 PolarHBondContact SG-NE2 2.9Å; C346-N363 PolarHBondContact SG-OD1 3.46Å; C346-H367 PolarHBondContact SG-CD2 3.23Å; C346-H367 PolarHBondContact SG-NE2 3.5Å; C346-H367 VanDerWaalsContact SG-NE2 3.38Å
347	S	82	Confident	68	Low	80 Å²	80	97.1 Å²	97.1	56%	0.559	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.4	178.2	50.4	0	0	0	0	114.3
348	I	81.3	Confident	70.3	Confident	113 Å²	113	90.1 Å²	90.1	58%	0.579	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-58.4	-176.4	-62.3	165.2	0	0	0	111	C346 H367	C346-I348 PolarHBondContact O-N 3.03Å; C346-I348 PolarHBondContact SG-N 2.94Å; C346-I348 VanDerWaalsContact SG-N 3.39Å; I348-H367 HydrophobicContact CD1-CB 3.66Å
349	C	83.3	Confident	72.8	Confident	56 Å²	56	82.7 Å²	82.7	38%	0.378	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	2.7	-177.4	73.5	0	0	0	0	115.2	C346 Q351 H362 H367	C346-C349 PolarHBondContact SG-N 3.28Å; C346-C349 VanDerWaalsContact SG-N 3.44Å; C346-C349 VanDerWaalsContact SG-SG 3.64Å; C349-Q351 PolarHBondContact O-N 3.4Å; C349-H362 PolarHBondContact SG-CE1 3.12Å; C349-H362 PolarHBondContact SG-NE2 3.31Å; C349-H367 PolarHBondContact SG-NE2 3.37Å; C349-H367 VanDerWaalsContact SG-NE2 3.45Å
350	R	81.6	Confident	75.1	Confident	209 Å²	209	85.7 Å²	85.7	79%	0.789	41%	0.413	S	S	*	.			trans	59.7	11.6	179.2	-54.9	-172.7	-178.9	-153.8	0.3	116.6	C346	C346-R350 WeakPolarHBondContact O-CA 3.32Å; C346-R350 PolarHBondContact O-N 3.43Å
351	Q	73.9	Confident	77.2	Confident	100 Å²	100	79.7 Å²	79.7	47%	0.467	39%	0.385	S	S	.	.			trans	-60.2	138.6	168.8	-77.5	-166.6	-15.6	0	0	111.5	C346 C349 F353 H362	C346-Q351 PolarHBondContact N-O 3.33Å; C349-Q351 PolarHBondContact O-N 3.4Å; Q351-F353 HydrophobicContact CB-CE2 3.6Å; Q351-F353 HydrophobicContact CB-CZ 3.74Å; Q351-F353 WeakPolarHBondContact O-CE2 3.13Å; Q351-H362 PolarHBondContact OE1-CE1 2.95Å; Q351-H362 VanDerWaalsContact OE1-CE1 3.26Å; Q351-H362 PolarHBondContact OE1-ND1 3.21Å
352	R	81.4	Confident	78.8	Confident	168 Å²	168	73.1 Å²	73.1	63%	0.634	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.9	-179.8	-74.8	178.3	165.6	-163	-4.9	111.2	L343 Y344	L343-R352 HydrophobicContact CB-CB 4.24Å; L343-R352 HydrophobicContact CB-CG 4.4Å; L343-R352 HydrophobicContact CD1-CB 4.35Å; Y344-R352 CarbonylContact O-C 3.59Å
353	F	81.9	Confident	80.3	Confident	24 Å²	24	71.9 Å²	71.9	11%	0.105	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.2	-177.8	-63.4	-82.8	0	0	0	112.2	Y344 C346 Q351 S355 L359 H362	Y344-F353 PolarHBondContact N-O 3.18Å; Y344-F353 PolarHBondContact O-N 3.5Å; C346-F353 HydrophobicContact CB-CE2 4.47Å; Q351-F353 HydrophobicContact CB-CE2 3.6Å; Q351-F353 HydrophobicContact CB-CZ 3.74Å; Q351-F353 WeakPolarHBondContact O-CE2 3.13Å; F353-S355 PolarHBondContact O-N 2.87Å; F353-L359 HydrophobicContact CB-CB 4.14Å; F353-L359 HydrophobicContact CD2-CB 3.92Å; F353-L359 HydrophobicContact CD2-CD1 3.75Å; F353-L359 HydrophobicContact CD2-CG 4.45Å; F353-L359 HydrophobicContact CE2-CD1 4.02Å; F353-L359 HydrophobicContact CG-CB 4.18Å; F353-H362 HydrophobicContact CE1-CB 3.7Å; F353-H362 HydrophobicContact CE2-CB 3.79Å; F353-H362 AromaticContact CE2-CD2 3.48Å; F353-H362 VanDerWaalsContact CE2-CD2 3.48Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.37Å; F353-H362 AromaticContact CE2-CG 3.51Å; F353-H362 HydrophobicContact CZ-CB 3.3Å; F353-H362 AromaticContact CZ-CD2 3.67Å; F353-H362 AromaticContact CZ-CG 3.17Å; F353-H362 AromaticContact CZ-ND1 3.45Å; F353-H362 WeakPolarHBondContact CZ-ND1 3.37Å
354	H	76.7	Confident	80.7	Confident	124 Å²	124	70.2 Å²	70.2	57%	0.574	34%	0.337	S	S	*	.	S	Bend	trans	-67.9	4.2	176.1	-55.4	101.5	0	0	0	114.7	L343	L343-H354 WeakPolarHBondContact CD2-CD2 3.11Å
355	S	79.3	Confident	80.4	Confident	51 Å²	51	69.5 Å²	69.5	36%	0.357	35%	0.346	S	S	.	.	S	Bend	trans	-161.5	151.9	172.7	60.3	0	0	0	0	112.7	F353 T357 G358 L359	F353-S355 PolarHBondContact O-N 2.87Å; S355-T357 VanDerWaalsContact C-N 3.26Å; S355-T357 PolarHBondContact O-N 3.36Å; S355-G358 WeakPolarHBondContact O-CA 3.38Å; S355-G358 PolarHBondContact O-N 3.29Å; S355-G358 PolarHBondContact OG-N 3.02Å; S355-G358 VanDerWaalsContact OG-N 3.1Å; S355-L359 PolarHBondContact O-N 3.1Å
356	N	79.1	Confident	80.2	Confident	59 Å²	59	73.2 Å²	73.2	32%	0.316	36%	0.363	S	S	.	.	H	α-helix	trans	-58.5	-39.4	173.1	-158.6	-41.2	0	0	0	110.8	Y344 G358 L359 R360	Y344-N356 HydrophobicContact CD1-CB 3.92Å; Y344-N356 HydrophobicContact CD2-CB 4.42Å; Y344-N356 HydrophobicContact CE1-CB 3.64Å; Y344-N356 WeakPolarHBondContact CE1-ND2 3.3Å; Y344-N356 HydrophobicContact CE2-CB 4.14Å; Y344-N356 VanDerWaalsContact CE2-N 3.28Å; Y344-N356 HydrophobicContact CG-CB 4.3Å; N356-G358 VanDerWaalsContact C-N 3.29Å; N356-G358 PolarHBondContact O-N 2.95Å; N356-L359 PolarHBondContact O-N 3.39Å; N356-R360 VanDerWaalsContact O-CB 3.31Å; N356-R360 WeakPolarHBondContact O-CB 3.45Å; N356-R360 VanDerWaalsContact O-CG 3.28Å; N356-R360 WeakPolarHBondContact O-CG 3.38Å; N356-R360 PolarHBondContact O-N 3.11Å; N356-R360 WeakPolarHBondContact OD1-CD 3.46Å; N356-R360 WeakPolarHBondContact OD1-CG 3.42Å; N356-R360 PolarHBondContact OD1-NE 3.46Å
357	T	82	Confident	79.8	Confident	72 Å²	72	75.8 Å²	75.8	44%	0.442	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-36.6	174.7	-50.3	0	0	0	0	112.4	S355 R361 R382	S355-T357 VanDerWaalsContact C-N 3.26Å; S355-T357 PolarHBondContact O-N 3.36Å; T357-R361 WeakPolarHBondContact O-CB 3.34Å; T357-R361 PolarHBondContact O-N 2.99Å; T357-R361 VanDerWaalsContact O-N 3.14Å; T357-R382 PolarHBondContact O-NH2 3.39Å
358	G	79.3	Confident	79.5	Confident	8 Å²	8	74 Å²	74	8%	0.082	37%	0.365	C	S	.	.	H	α-helix	trans	-63.7	-54.5	171.5	0	0	0	0	0	112.1	S355 N356 R360 R361 H362	S355-G358 WeakPolarHBondContact O-CA 3.38Å; S355-G358 PolarHBondContact O-N 3.29Å; S355-G358 PolarHBondContact OG-N 3.02Å; S355-G358 VanDerWaalsContact OG-N 3.1Å; N356-G358 VanDerWaalsContact C-N 3.29Å; N356-G358 PolarHBondContact O-N 2.95Å; G358-R360 PolarHBondContact O-N 2.96Å; G358-R361 WeakPolarHBondContact O-CB 3.42Å; G358-R361 PolarHBondContact O-N 3.36Å; G358-H362 PolarHBondContact O-N 3.3Å
359	L	84	Confident	78.7	Confident	13 Å²	13	76 Å²	76	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-57	-47.4	176.7	174.4	60.9	0	0	0	111.8	C345 C346 F353 S355 N356 R361 H362 N363	C345-L359 WeakPolarHBondContact O-CD2 3.49Å; C346-L359 HydrophobicContact CB-CD1 3.75Å; F353-L359 HydrophobicContact CB-CB 4.14Å; F353-L359 HydrophobicContact CD2-CB 3.92Å; F353-L359 HydrophobicContact CD2-CD1 3.75Å; F353-L359 HydrophobicContact CD2-CG 4.45Å; F353-L359 HydrophobicContact CE2-CD1 4.02Å; F353-L359 HydrophobicContact CG-CB 4.18Å; S355-L359 PolarHBondContact O-N 3.1Å; N356-L359 PolarHBondContact O-N 3.39Å; L359-R361 PolarHBondContact O-N 2.86Å; L359-R361 VanDerWaalsContact O-N 3.16Å; L359-H362 PolarHBondContact O-N 2.9Å; L359-N363 WeakPolarHBondContact CD1-OD1 3.14Å; L359-N363 WeakPolarHBondContact O-CB 3.39Å; L359-N363 PolarHBondContact O-N 3.26Å
360	R	80	Confident	78	Confident	155 Å²	155	82.1 Å²	82.1	59%	0.585	40%	0.402	S	S	*	.	H	α-helix	trans	-63.8	-16.1	175.8	-72.2	178.9	-176.9	-144.2	-2.2	114	N356 G358 L364 R382	N356-R360 VanDerWaalsContact O-CB 3.31Å; N356-R360 WeakPolarHBondContact O-CB 3.45Å; N356-R360 VanDerWaalsContact O-CG 3.28Å; N356-R360 WeakPolarHBondContact O-CG 3.38Å; N356-R360 PolarHBondContact O-N 3.11Å; N356-R360 WeakPolarHBondContact OD1-CD 3.46Å; N356-R360 WeakPolarHBondContact OD1-CG 3.42Å; N356-R360 PolarHBondContact OD1-NE 3.46Å; G358-R360 PolarHBondContact O-N 2.96Å; R360-L364 WeakPolarHBondContact O-CB 3.2Å; R360-R382 VanDerWaalsContact C-NH2 3.25Å; R360-R382 PolarHBondContact O-NE 2.74Å; R360-R382 PolarHBondContact O-NH2 2.85Å
361	R	79.3	Confident	77.7	Confident	59 Å²	59	73 Å²	73	22%	0.223	37%	0.372	C	S	.	.	H	α-helix	trans	-90	-40.3	173.2	172	168.9	52.8	-157.9	-8.3	110.5	E280 I283 T357 G358 L359 L364 A365	E280-R361 PolarHBondContact O-NH1 2.91Å; I283-R361 VanDerWaalsContact CD1-NE 3.32Å; T357-R361 WeakPolarHBondContact O-CB 3.34Å; T357-R361 PolarHBondContact O-N 2.99Å; T357-R361 VanDerWaalsContact O-N 3.14Å; G358-R361 WeakPolarHBondContact O-CB 3.42Å; G358-R361 PolarHBondContact O-N 3.36Å; L359-R361 PolarHBondContact O-N 2.86Å; L359-R361 VanDerWaalsContact O-N 3.16Å; R361-L364 WeakPolarHBondContact O-CB 3.25Å; R361-L364 PolarHBondContact O-N 2.82Å; R361-A365 WeakPolarHBondContact O-CB 3.46Å; R361-A365 PolarHBondContact O-N 3.21Å
362	H	82.1	Confident	78.1	Confident	10 Å²	10	70.7 Å²	70.7	5%	0.046	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-51.1	172.6	159.8	85.9	0	0	0	112.1	C346 C349 Q351 F353 G358 L359 L364 A365 L366 H367	C346-H362 WeakPolarHBondContact CB-NE2 3.44Å; C346-H362 PolarHBondContact SG-NE2 2.9Å; C349-H362 PolarHBondContact SG-CE1 3.12Å; C349-H362 PolarHBondContact SG-NE2 3.31Å; Q351-H362 PolarHBondContact OE1-CE1 2.95Å; Q351-H362 VanDerWaalsContact OE1-CE1 3.26Å; Q351-H362 PolarHBondContact OE1-ND1 3.21Å; F353-H362 HydrophobicContact CE1-CB 3.7Å; F353-H362 HydrophobicContact CE2-CB 3.79Å; F353-H362 AromaticContact CE2-CD2 3.48Å; F353-H362 VanDerWaalsContact CE2-CD2 3.48Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.37Å; F353-H362 AromaticContact CE2-CG 3.51Å; F353-H362 HydrophobicContact CZ-CB 3.3Å; F353-H362 AromaticContact CZ-CD2 3.67Å; F353-H362 AromaticContact CZ-CG 3.17Å; F353-H362 AromaticContact CZ-ND1 3.45Å; F353-H362 WeakPolarHBondContact CZ-ND1 3.37Å; G358-H362 PolarHBondContact O-N 3.3Å; L359-H362 PolarHBondContact O-N 2.9Å; H362-L364 PolarHBondContact O-N 3.06Å; H362-A365 PolarHBondContact O-N 3.23Å; H362-L366 PolarHBondContact O-N 2.84Å; H362-H367 AromaticContact CE1-NE2 3.85Å; H362-H367 AromaticContact NE2-CD2 3.67Å; H362-H367 AromaticContact NE2-NE2 3.38Å; H362-H367 PolarHBondContact NE2-NE2 3.02Å
363	N	79.5	Confident	78.3	Confident	47 Å²	47	70 Å²	70	25%	0.251	36%	0.363	S	S	.	.	H	α-helix	trans	-57.4	-38.5	176.7	-72.9	3.5	0	0	0	111.6	C346 L359 H367 A368	C346-N363 PolarHBondContact SG-OD1 3.46Å; L359-N363 WeakPolarHBondContact CD1-OD1 3.14Å; L359-N363 WeakPolarHBondContact O-CB 3.39Å; L359-N363 PolarHBondContact O-N 3.26Å; N363-H367 CarbonylContact O-C 3.24Å; N363-H367 WeakPolarHBondContact O-CA 3.5Å; N363-H367 WeakPolarHBondContact O-CB 3.21Å; N363-H367 PolarHBondContact O-N 3.17Å; N363-A368 PolarHBondContact O-N 3.34Å
364	L	80.7	Confident	78.6	Confident	23 Å²	23	69.4 Å²	69.4	12%	0.12	36%	0.363	C	S	.	.	H	α-helix	trans	-64.1	-44	174.9	178.6	72.3	0	0	0	112.5	R360 R361 H362 A368 A371 V380 R382	R360-L364 WeakPolarHBondContact O-CB 3.2Å; R361-L364 WeakPolarHBondContact O-CB 3.25Å; R361-L364 PolarHBondContact O-N 2.82Å; H362-L364 PolarHBondContact O-N 3.06Å; L364-A368 HydrophobicContact CD1-CB 4.26Å; L364-A371 HydrophobicContact CD1-CB 3.95Å; L364-A371 WeakPolarHBondContact O-CB 3.29Å; L364-V380 HydrophobicContact CD1-CG1 4.45Å; L364-V380 HydrophobicContact CD2-CG1 4.44Å; L364-V380 WeakPolarHBondContact CD2-O 3.41Å; L364-V380 HydrophobicContact CG-CG1 4.05Å; L364-R382 HydrophobicContact CD1-CG 4.11Å; L364-R382 HydrophobicContact CD2-CG 3.59Å; L364-R382 HydrophobicContact CG-CG 4.33Å
365	A	75.5	Confident	79.2	Confident	56 Å²	56	69 Å²	69	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-74.4	-36.6	-174	0	0	0	0	0	113.1	R361 H362	R361-A365 WeakPolarHBondContact O-CB 3.46Å; R361-A365 PolarHBondContact O-N 3.21Å; H362-A365 PolarHBondContact O-N 3.23Å
366	L	75.8	Confident	79.6	Confident	110 Å²	110	72.4 Å²	72.4	58%	0.576	38%	0.375	S	S	*	.	H	α-helix	trans	-116	-15.2	-170.3	-58.6	-175.3	0	0	0	115.2	H362	H362-L366 PolarHBondContact O-N 2.84Å
367	H	77.6	Confident	80.1	Confident	55 Å²	55	71.4 Å²	71.4	26%	0.255	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-11.6	-169.3	-58.6	-37.4	0	0	0	115.3	C346 I348 C349 H362 N363 T369	C346-H367 PolarHBondContact SG-CD2 3.23Å; C346-H367 PolarHBondContact SG-NE2 3.5Å; C346-H367 VanDerWaalsContact SG-NE2 3.38Å; I348-H367 HydrophobicContact CD1-CB 3.66Å; C349-H367 PolarHBondContact SG-NE2 3.37Å; C349-H367 VanDerWaalsContact SG-NE2 3.45Å; H362-H367 AromaticContact CE1-NE2 3.85Å; H362-H367 AromaticContact NE2-CD2 3.67Å; H362-H367 AromaticContact NE2-NE2 3.38Å; H362-H367 PolarHBondContact NE2-NE2 3.02Å; N363-H367 CarbonylContact O-C 3.24Å; N363-H367 WeakPolarHBondContact O-CA 3.5Å; N363-H367 WeakPolarHBondContact O-CB 3.21Å; N363-H367 PolarHBondContact O-N 3.17Å; H367-T369 PolarHBondContact O-N 3.16Å
368	A	74.5	Confident	80	Confident	42 Å²	42	75 Å²	75	35%	0.347	39%	0.394	S	S	.	.			trans	-85	105.8	-179.6	0	0	0	0	0	111.3	N363 L364 K370 A371	N363-A368 PolarHBondContact O-N 3.34Å; L364-A368 HydrophobicContact CD1-CB 4.26Å; A368-K370 PolarHBondContact O-N 3.12Å; A368-A371 HydrophobicContact CB-CB 3.92Å; A368-A371 VanDerWaalsContact O-CB 3.27Å; A368-A371 WeakPolarHBondContact O-CB 3.43Å; A368-A371 PolarHBondContact O-N 3.14Å; A368-A371 VanDerWaalsContact O-N 3.15Å
369	T	65.8	Low	80	Confident	156 Å²	156	78.3 Å²	78.3	96%	0.957	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30	174.9	52.5	0	0	0	0	113.3	H367	H367-T369 PolarHBondContact O-N 3.16Å
370	K	67.4	Low	80	Confident	183 Å²	183	79.7 Å²	79.7	80%	0.796	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	34.6	178.1	-154.9	168.8	-174.6	170.8	0	113	A368	A368-K370 PolarHBondContact O-N 3.12Å
371	A	76.4	Confident	80.1	Confident	19 Å²	19	73.9 Å²	73.9	16%	0.157	39%	0.394	C	S	.	.			trans	-72.6	131.8	177.7	0	0	0	0	0	111.9	L364 A368 K373 V380	L364-A371 HydrophobicContact CD1-CB 3.95Å; L364-A371 WeakPolarHBondContact O-CB 3.29Å; A368-A371 HydrophobicContact CB-CB 3.92Å; A368-A371 VanDerWaalsContact O-CB 3.27Å; A368-A371 WeakPolarHBondContact O-CB 3.43Å; A368-A371 PolarHBondContact O-N 3.14Å; A368-A371 VanDerWaalsContact O-N 3.15Å; A371-K373 PolarHBondContact O-N 2.94Å; A371-V380 HydrophobicContact CB-CG1 3.5Å; A371-V380 VanDerWaalsContact CB-CG1 3.5Å
372	M	82.3	Confident	80	Confident	51 Å²	51	75 Å²	75	25%	0.251	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	87.2	-175.5	-48.7	-61	-78	0	0	109.3	F381 Q384 L387	M372-F381 HydrophobicContact CB-CB 4.3Å; M372-F381 VanDerWaalsContact CB-O 3.31Å; M372-F381 WeakPolarHBondContact CB-O 3.3Å; M372-F381 PolarHBondContact N-O 3.2Å; M372-F381 WeakPolarHBondContact O-CD2 3.44Å; M372-F381 PolarHBondContact O-N 2.91Å; M372-Q384 HydrophobicContact CE-CB 3.94Å; M372-L387 HydrophobicContact CB-CB 4.29Å; M372-L387 HydrophobicContact CB-CD2 3.99Å
373	K	84.2	Confident	80.1	Confident	152 Å²	152	81 Å²	81	66%	0.661	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	146	178.9	-57.7	-179.2	-176.1	176.8	0	110.6	A371 V380 L387	A371-K373 PolarHBondContact O-N 2.94Å; K373-V380 HydrophobicContact CG-CG1 4.26Å; K373-V380 HydrophobicContact CG-CG2 4.22Å; K373-L387 WeakPolarHBondContact O-CD2 3.45Å
374	C	88.6	Confident	80.3	Confident	13 Å²	13	83.2 Å²	83.2	9%	0.088	44%	0.435	C	S	.	.			trans	-76.2	145.4	161.4	-165.4	0	0	0	0	109.5	C377 K379 F381 L387 H390	C374-C377 CarbonylContact C-O 3.55Å; C374-C377 WeakPolarHBondContact CB-O 3.43Å; C374-C377 VanDerWaalsContact O-O 3.11Å; C374-K379 PolarHBondContact N-O 2.61Å; C374-F381 HydrophobicContact CB-CE2 4.4Å; C374-L387 HydrophobicContact CB-CD1 3.81Å; C374-H390 PolarHBondContact SG-NE2 2.9Å; C374-H390 VanDerWaalsContact SG-NE2 3.35Å
375	D	89.4	Confident	80.7	Confident	115 Å²	115	85.9 Å²	85.9	62%	0.615	46%	0.46	S	S	*	.	S	Bend	trans	-86.5	-27.7	174.3	43	10.8	0	0	0	111.7	K391	D375-K391 WeakPolarHBondContact OD1-CE 3.26Å; D375-K391 IonicContact OD1-NZ 2.74Å; D375-K391 PolarHBondContact OD1-NZ 3.3Å; D375-K391 IonicContact OD2-NZ 3.16Å; D375-K391 PolarHBondContact OD2-NZ 3.4Å
376	Q	88.2	Confident	81.3	Confident	122 Å²	122	85.3 Å²	85.3	57%	0.57	46%	0.455	S	S	*	.	S	Bend	trans	-97.3	-5.8	-179.6	-60.7	-173.8	24.9	0	0	114.5	H395	Q376-H395 WeakPolarHBondContact CB-CE1 3.37Å; Q376-H395 VanDerWaalsContact CB-ND1 3.33Å; Q376-H395 WeakPolarHBondContact CB-ND1 3.42Å; Q376-H395 PolarHBondContact O-CE1 3.24Å; Q376-H395 VanDerWaalsContact O-CE1 3.31Å; Q376-H395 PolarHBondContact OE1-ND1 3.34Å; Q376-H395 VanDerWaalsContact OE1-ND1 3.14Å
377	C	88.5	Confident	82	Confident	38 Å²	38	80.6 Å²	80.6	26%	0.257	43%	0.43	S	S	.	.	S	Bend	trans	-158.4	169.4	166.9	76.5	0	0	0	0	112.7	C374 K379 H390 H395	C374-C377 CarbonylContact C-O 3.55Å; C374-C377 WeakPolarHBondContact CB-O 3.43Å; C374-C377 VanDerWaalsContact O-O 3.11Å; C377-K379 PolarHBondContact O-N 3.32Å; C377-H390 PolarHBondContact SG-CE1 3.44Å; C377-H390 PolarHBondContact SG-NE2 3Å; C377-H395 PolarHBondContact SG-NE2 2.94Å
378	V	81.8	Confident	82.6	Confident	149 Å²	149	80.6 Å²	80.6	90%	0.903	44%	0.437	S	S	*	.	S	Bend	trans	-72.4	10	-174.8	-152.5	0	0	0	0	114.3
379	K	78.9	Confident	83.3	Confident	76 Å²	76	82 Å²	82	33%	0.33	44%	0.438	S	S	.	.			trans	-81.2	145.2	-178.5	-69.6	-173.3	178.8	175.4	0	112.2	E282 C374 C377 F381	E282-K379 IonicContact OE1-NZ 2.71Å; E282-K379 PolarHBondContact OE1-NZ 3.28Å; C374-K379 PolarHBondContact N-O 2.61Å; C377-K379 PolarHBondContact O-N 3.32Å; K379-F381 HydrophobicContact CB-CE2 3.48Å; K379-F381 VanDerWaalsContact CB-CE2 3.48Å; K379-F381 HydrophobicContact CB-CZ 3.55Å; K379-F381 HydrophobicContact CD-CZ 4.22Å; K379-F381 HydrophobicContact CG-CZ 4.5Å
380	V	82.4	Confident	84.5	Confident	42 Å²	42	74.7 Å²	74.7	26%	0.255	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.3	-173.7	-170.4	0	0	0	0	110.5	L364 A371 K373	L364-V380 HydrophobicContact CD1-CG1 4.45Å; L364-V380 HydrophobicContact CD2-CG1 4.44Å; L364-V380 WeakPolarHBondContact CD2-O 3.41Å; L364-V380 HydrophobicContact CG-CG1 4.05Å; A371-V380 HydrophobicContact CB-CG1 3.5Å; A371-V380 VanDerWaalsContact CB-CG1 3.5Å; K373-V380 HydrophobicContact CG-CG1 4.26Å; K373-V380 HydrophobicContact CG-CG2 4.22Å
381	F	83.8	Confident	85.5	Confident	33 Å²	33	69 Å²	69	15%	0.145	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.6	-167.9	-60.1	-88	0	0	0	112.8	M372 C374 K379 A386 L387 H390	M372-F381 HydrophobicContact CB-CB 4.3Å; M372-F381 VanDerWaalsContact CB-O 3.31Å; M372-F381 WeakPolarHBondContact CB-O 3.3Å; M372-F381 PolarHBondContact N-O 3.2Å; M372-F381 WeakPolarHBondContact O-CD2 3.44Å; M372-F381 PolarHBondContact O-N 2.91Å; C374-F381 HydrophobicContact CB-CE2 4.4Å; K379-F381 HydrophobicContact CB-CE2 3.48Å; K379-F381 VanDerWaalsContact CB-CE2 3.48Å; K379-F381 HydrophobicContact CB-CZ 3.55Å; K379-F381 HydrophobicContact CD-CZ 4.22Å; K379-F381 HydrophobicContact CG-CZ 4.5Å; F381-A386 HydrophobicContact CB-CB 4.27Å; F381-A386 HydrophobicContact CD1-CB 4.11Å; F381-L387 HydrophobicContact CB-CB 4.05Å; F381-L387 HydrophobicContact CD2-CB 4.11Å; F381-L387 HydrophobicContact CD2-CD1 3.8Å; F381-L387 HydrophobicContact CE2-CD1 4.17Å; F381-L387 HydrophobicContact CG-CB 4.16Å; F381-H390 HydrophobicContact CD1-CB 4.36Å; F381-H390 HydrophobicContact CE1-CB 3.57Å; F381-H390 AromaticContact CE1-CG 3.89Å; F381-H390 HydrophobicContact CE2-CB 4Å; F381-H390 AromaticContact CE2-CD2 3.11Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.44Å; F381-H390 AromaticContact CE2-CG 3.62Å; F381-H390 AromaticContact CE2-NE2 3.84Å; F381-H390 HydrophobicContact CZ-CB 3.38Å; F381-H390 AromaticContact CZ-CD2 3.19Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.41Å; F381-H390 AromaticContact CZ-CG 3.15Å; F381-H390 AromaticContact CZ-ND1 3.9Å; F381-H390 AromaticContact CZ-NE2 3.93Å
382	R	77	Confident	86.2	Confident	83 Å²	83	72.9 Å²	72.9	31%	0.313	38%	0.382	S	S	.	.	S	Bend	trans	-71.7	-32.5	-174.9	-63.9	-175.3	178.5	118	2.3	113.5	T357 R360 L364	T357-R382 PolarHBondContact O-NH2 3.39Å; R360-R382 VanDerWaalsContact C-NH2 3.25Å; R360-R382 PolarHBondContact O-NE 2.74Å; R360-R382 PolarHBondContact O-NH2 2.85Å; L364-R382 HydrophobicContact CD1-CG 4.11Å; L364-R382 HydrophobicContact CD2-CG 3.59Å; L364-R382 HydrophobicContact CG-CG 4.33Å
383	H	82.9	Confident	86.5	Confident	136 Å²	136	72 Å²	72	63%	0.63	38%	0.376	S	S	*	.	S	Bend	trans	-147.9	155.9	-174.4	-49.5	-65.1	0	0	0	110.3	A385 A386 L387	H383-A385 VanDerWaalsContact C-N 3.3Å; H383-A385 PolarHBondContact O-N 2.86Å; H383-A386 PolarHBondContact O-N 3.28Å; H383-A386 VanDerWaalsContact O-N 3.12Å; H383-L387 PolarHBondContact O-N 3.36Å
384	Q	85.4	Confident	86.6	Confident	94 Å²	94	68 Å²	68	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-54.3	-42.5	-177	-176.4	56	53.3	0	0	113	M372 A386 L387 S388	M372-Q384 HydrophobicContact CE-CB 3.94Å; Q384-A386 VanDerWaalsContact C-N 3.26Å; Q384-A386 PolarHBondContact O-N 3.12Å; Q384-L387 CarbonylContact O-C 3.59Å; Q384-L387 WeakPolarHBondContact O-CB 3.41Å; Q384-L387 PolarHBondContact O-N 2.85Å; Q384-S388 PolarHBondContact NE2-OG 3.39Å; Q384-S388 PolarHBondContact O-N 3.02Å; Q384-S388 PolarHBondContact O-OG 3.49Å
385	A	88.8	Confident	86.7	Confident	79 Å²	79	70.1 Å²	70.1	65%	0.653	37%	0.373	S	S	*	.	H	α-helix	trans	-56.9	-38.1	-179	0	0	0	0	0	113	H383 S388 D389	H383-A385 VanDerWaalsContact C-N 3.3Å; H383-A385 PolarHBondContact O-N 2.86Å; A385-S388 PolarHBondContact O-N 3.37Å; A385-D389 PolarHBondContact O-N 3.04Å
386	A	87.9	Confident	86.5	Confident	43 Å²	43	65.5 Å²	65.5	36%	0.355	35%	0.352	S	S	.	.	H	α-helix	trans	-74.7	-31.3	177.6	0	0	0	0	0	112.8	F381 H383 Q384 H390	F381-A386 HydrophobicContact CB-CB 4.27Å; F381-A386 HydrophobicContact CD1-CB 4.11Å; H383-A386 PolarHBondContact O-N 3.28Å; H383-A386 VanDerWaalsContact O-N 3.12Å; Q384-A386 VanDerWaalsContact C-N 3.26Å; Q384-A386 PolarHBondContact O-N 3.12Å; A386-H390 VanDerWaalsContact O-CB 3.31Å; A386-H390 WeakPolarHBondContact O-CB 3.31Å; A386-H390 PolarHBondContact O-N 3.24Å; A386-H390 VanDerWaalsContact O-N 3.08Å
387	L	89.7	Confident	86.5	Confident	11 Å²	11	63.7 Å²	63.7	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-68.5	-43	169.9	172.2	58.6	0	0	0	110.9	M372 K373 C374 F381 H383 Q384 H390 K391	M372-L387 HydrophobicContact CB-CB 4.29Å; M372-L387 HydrophobicContact CB-CD2 3.99Å; K373-L387 WeakPolarHBondContact O-CD2 3.45Å; C374-L387 HydrophobicContact CB-CD1 3.81Å; F381-L387 HydrophobicContact CB-CB 4.05Å; F381-L387 HydrophobicContact CD2-CB 4.11Å; F381-L387 HydrophobicContact CD2-CD1 3.8Å; F381-L387 HydrophobicContact CE2-CD1 4.17Å; F381-L387 HydrophobicContact CG-CB 4.16Å; H383-L387 PolarHBondContact O-N 3.36Å; Q384-L387 CarbonylContact O-C 3.59Å; Q384-L387 WeakPolarHBondContact O-CB 3.41Å; Q384-L387 PolarHBondContact O-N 2.85Å; L387-H390 PolarHBondContact O-N 3.24Å; L387-K391 HydrophobicContact CD1-CG 4.14Å; L387-K391 WeakPolarHBondContact O-CB 3.44Å; L387-K391 WeakPolarHBondContact O-CG 3.41Å; L387-K391 PolarHBondContact O-N 3.23Å
388	S	91	Very high	86.5	Confident	56 Å²	56	67 Å²	67	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-42.4	178.4	-62.7	0	0	0	0	112.5	Q384 A385 K391 K392	Q384-S388 PolarHBondContact NE2-OG 3.39Å; Q384-S388 PolarHBondContact O-N 3.02Å; Q384-S388 PolarHBondContact O-OG 3.49Å; A385-S388 PolarHBondContact O-N 3.37Å; S388-K391 PolarHBondContact O-N 2.99Å; S388-K392 PolarHBondContact O-N 3.2Å
389	D	89.1	Confident	87	Confident	70 Å²	70	65.9 Å²	65.9	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-49	170.9	173.1	76	0	0	0	111.2	A385 K391 K392 R393	A385-D389 PolarHBondContact O-N 3.04Å; D389-K391 PolarHBondContact O-N 3.34Å; D389-K392 PolarHBondContact O-N 3.33Å; D389-R393 WeakPolarHBondContact O-CB 3.29Å; D389-R393 PolarHBondContact O-N 3.41Å; D389-R393 IonicContact OD2-NE 2.86Å
390	H	89.8	Confident	87.6	Confident	3 Å²	3	65.8 Å²	65.8	1%	0.014	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-46.1	176.8	159	53	0	0	0	112.3	C374 C377 F381 A386 L387 R393 V394 H395	C374-H390 PolarHBondContact SG-NE2 2.9Å; C374-H390 VanDerWaalsContact SG-NE2 3.35Å; C377-H390 PolarHBondContact SG-CE1 3.44Å; C377-H390 PolarHBondContact SG-NE2 3Å; F381-H390 HydrophobicContact CD1-CB 4.36Å; F381-H390 HydrophobicContact CE1-CB 3.57Å; F381-H390 AromaticContact CE1-CG 3.89Å; F381-H390 HydrophobicContact CE2-CB 4Å; F381-H390 AromaticContact CE2-CD2 3.11Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.44Å; F381-H390 AromaticContact CE2-CG 3.62Å; F381-H390 AromaticContact CE2-NE2 3.84Å; F381-H390 HydrophobicContact CZ-CB 3.38Å; F381-H390 AromaticContact CZ-CD2 3.19Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.41Å; F381-H390 AromaticContact CZ-CG 3.15Å; F381-H390 AromaticContact CZ-ND1 3.9Å; F381-H390 AromaticContact CZ-NE2 3.93Å; A386-H390 VanDerWaalsContact O-CB 3.31Å; A386-H390 WeakPolarHBondContact O-CB 3.31Å; A386-H390 PolarHBondContact O-N 3.24Å; A386-H390 VanDerWaalsContact O-N 3.08Å; L387-H390 PolarHBondContact O-N 3.24Å; H390-R393 PolarHBondContact O-N 3.35Å; H390-V394 VanDerWaalsContact ND1-CG2 3.35Å; H390-V394 WeakPolarHBondContact ND1-CG2 3.49Å; H390-V394 WeakPolarHBondContact O-CB 3.33Å; H390-V394 PolarHBondContact O-N 3.37Å; H390-H395 AromaticContact CE1-CD2 3.63Å; H390-H395 AromaticContact CE1-NE2 3.49Å; H390-H395 PolarHBondContact CE1-NE2 3.3Å; H390-H395 AromaticContact NE2-CD2 3.7Å; H390-H395 AromaticContact NE2-NE2 3.57Å
391	K	89.9	Confident	88	Confident	63 Å²	63	68.8 Å²	68.8	27%	0.274	35%	0.354	S	S	.	.	I	π-helix	trans	-56.4	-54	174.9	-80.7	-168.2	173.4	-157.6	0	109.8	D375 L387 S388 D389 R393 H395 G396	D375-K391 WeakPolarHBondContact OD1-CE 3.26Å; D375-K391 IonicContact OD1-NZ 2.74Å; D375-K391 PolarHBondContact OD1-NZ 3.3Å; D375-K391 IonicContact OD2-NZ 3.16Å; D375-K391 PolarHBondContact OD2-NZ 3.4Å; L387-K391 HydrophobicContact CD1-CG 4.14Å; L387-K391 WeakPolarHBondContact O-CB 3.44Å; L387-K391 WeakPolarHBondContact O-CG 3.41Å; L387-K391 PolarHBondContact O-N 3.23Å; S388-K391 PolarHBondContact O-N 2.99Å; D389-K391 PolarHBondContact O-N 3.34Å; K391-R393 VanDerWaalsContact C-N 3.29Å; K391-R393 PolarHBondContact O-N 3.28Å; K391-H395 CarbonylContact O-C 3.54Å; K391-H395 VanDerWaalsContact O-CA 3.29Å; K391-H395 WeakPolarHBondContact O-CA 3.31Å; K391-H395 VanDerWaalsContact O-CB 3.32Å; K391-H395 WeakPolarHBondContact O-CB 3.35Å; K391-H395 PolarHBondContact O-N 3.44Å; K391-G396 PolarHBondContact O-N 3.46Å
392	K	90.2	Very high	88.1	Confident	102 Å²	102	67.2 Å²	67.2	44%	0.443	35%	0.348	S	S	.	.	I	π-helix	trans	-55.5	-44.1	177.2	-172.1	169.8	-175.9	171.8	0	111.9	S388 D389 G396 A410 T411	S388-K392 PolarHBondContact O-N 3.2Å; D389-K392 PolarHBondContact O-N 3.33Å; K392-G396 VanDerWaalsContact O-CA 3.29Å; K392-G396 WeakPolarHBondContact O-CA 3.41Å; K392-G396 PolarHBondContact O-N 2.88Å; K392-A410 WeakPolarHBondContact O-CB 3.32Å; K392-T411 HydrophobicContact CD-CG2 4.15Å; K392-T411 HydrophobicContact CG-CG2 4.24Å
393	R	88.1	Confident	88.6	Confident	32 Å²	32	67.3 Å²	67.3	12%	0.121	37%	0.374	C	S	.	.	I	π-helix	trans	-76.5	-30.1	-172.5	-175.4	166.5	69.3	96.2	-13.2	115.8	D389 H390 K391 Y414	D389-R393 WeakPolarHBondContact O-CB 3.29Å; D389-R393 PolarHBondContact O-N 3.41Å; D389-R393 IonicContact OD2-NE 2.86Å; H390-R393 PolarHBondContact O-N 3.35Å; K391-R393 VanDerWaalsContact C-N 3.29Å; K391-R393 PolarHBondContact O-N 3.28Å; R393-Y414 VanDerWaalsContact CD-OH 3.23Å; R393-Y414 WeakPolarHBondContact CD-OH 3.31Å; R393-Y414 HydrophobicContact CG-CD2 4.39Å; R393-Y414 HydrophobicContact CG-CE2 3.88Å
394	V	87.5	Confident	88.5	Confident	69 Å²	69	66.3 Å²	66.3	42%	0.418	37%	0.372	S	S	.	.	I	π-helix	trans	-114.4	-28.6	-173	-179.1	0	0	0	0	112.3	H390	H390-V394 VanDerWaalsContact ND1-CG2 3.35Å; H390-V394 WeakPolarHBondContact ND1-CG2 3.49Å; H390-V394 WeakPolarHBondContact O-CB 3.33Å; H390-V394 PolarHBondContact O-N 3.37Å
395	H	90.2	Very high	88.4	Confident	57 Å²	57	64.8 Å²	64.8	26%	0.264	37%	0.371	S	S	.	.	I	π-helix	trans	-121.5	-10.3	-173.8	-61.6	-76.4	0	0	0	113.4	Q376 C377 H390 K391	Q376-H395 WeakPolarHBondContact CB-CE1 3.37Å; Q376-H395 VanDerWaalsContact CB-ND1 3.33Å; Q376-H395 WeakPolarHBondContact CB-ND1 3.42Å; Q376-H395 PolarHBondContact O-CE1 3.24Å; Q376-H395 VanDerWaalsContact O-CE1 3.31Å; Q376-H395 PolarHBondContact OE1-ND1 3.34Å; Q376-H395 VanDerWaalsContact OE1-ND1 3.14Å; C377-H395 PolarHBondContact SG-NE2 2.94Å; H390-H395 AromaticContact CE1-CD2 3.63Å; H390-H395 AromaticContact CE1-NE2 3.49Å; H390-H395 PolarHBondContact CE1-NE2 3.3Å; H390-H395 AromaticContact NE2-CD2 3.7Å; H390-H395 AromaticContact NE2-NE2 3.57Å; K391-H395 CarbonylContact O-C 3.54Å; K391-H395 VanDerWaalsContact O-CA 3.29Å; K391-H395 WeakPolarHBondContact O-CA 3.31Å; K391-H395 VanDerWaalsContact O-CB 3.32Å; K391-H395 WeakPolarHBondContact O-CB 3.35Å; K391-H395 PolarHBondContact O-N 3.44Å
396	G	86.2	Confident	88.2	Confident	18 Å²	18	65.5 Å²	65.5	19%	0.186	37%	0.372	C	S	.	.	S	Bend	trans	-81.5	163.1	174.6	0	0	0	0	0	112.7	K391 K392	K391-G396 PolarHBondContact O-N 3.46Å; K392-G396 VanDerWaalsContact O-CA 3.29Å; K392-G396 WeakPolarHBondContact O-CA 3.41Å; K392-G396 PolarHBondContact O-N 2.88Å
397	P	87	Confident	88.1	Confident	83 Å²	83	64.9 Å²	64.9	54%	0.539	37%	0.367	S	S	.	.			trans	-65.7	147.8	179.5	31.7	-37.6	0	0	0	111	E399	P397-E399 HydrophobicContact CB-CG 3.89Å; P397-E399 HydrophobicContact CG-CG 4.06Å; P397-E399 VanDerWaalsContact CG-OE1 3.25Å; P397-E399 WeakPolarHBondContact CG-OE1 3.34Å; P397-E399 PolarHBondContact O-N 3.46Å
398	R	89.7	Confident	88	Confident	107 Å²	107	67.6 Å²	67.6	40%	0.404	38%	0.381	S	S	.	.			trans	-101.7	57.6	-171.3	-59.8	-179.7	62	102.8	0.9	111.1	Y400 D408 F409 A410	R398-Y400 VanDerWaalsContact C-N 3.32Å; R398-Y400 PolarHBondContact O-N 3.4Å; R398-D408 HydrophobicContact CB-CB 4.21Å; R398-D408 WeakPolarHBondContact CB-OD2 3.34Å; R398-D408 VanDerWaalsContact CD-OD2 3.3Å; R398-D408 WeakPolarHBondContact CD-OD2 3.34Å; R398-D408 IonicContact CZ-OD2 2.66Å; R398-D408 IonicContact NE-OD2 2.82Å; R398-D408 PolarHBondContact NE-OD2 2.8Å; R398-D408 PolarHBondContact NH2-O 2.88Å; R398-D408 IonicContact NH2-OD2 3.19Å; R398-F409 CarbonylContact C-O 3.6Å; R398-F409 WeakPolarHBondContact CA-O 3.29Å; R398-A410 HydrophobicContact CG-CB 4.32Å
399	E	90.6	Very high	88	Confident	127 Å²	127	66.2 Å²	66.2	59%	0.593	37%	0.368	S	S	*	.			trans	-73.1	-20.5	-167.5	-61.2	163.5	159	0	0	113.7	P397 I401 F409	P397-E399 HydrophobicContact CB-CG 3.89Å; P397-E399 HydrophobicContact CG-CG 4.06Å; P397-E399 VanDerWaalsContact CG-OE1 3.25Å; P397-E399 WeakPolarHBondContact CG-OE1 3.34Å; P397-E399 PolarHBondContact O-N 3.46Å; E399-I401 PolarHBondContact O-N 3.36Å; E399-F409 PolarHBondContact N-O 2.82Å
400	Y	92.7	Very high	88	Confident	73 Å²	73	63.1 Å²	63.1	29%	0.286	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	81.6	-171.9	-59.9	-86.6	0	0	0	110.9	R398 F409 T411 E412	R398-Y400 VanDerWaalsContact C-N 3.32Å; R398-Y400 PolarHBondContact O-N 3.4Å; Y400-F409 WeakPolarHBondContact CB-O 3.27Å; Y400-F409 WeakPolarHBondContact CD2-O 3.42Å; Y400-F409 PolarHBondContact N-O 3.28Å; Y400-F409 WeakPolarHBondContact O-CB 3.18Å; Y400-F409 WeakPolarHBondContact O-CD2 3.38Å; Y400-F409 PolarHBondContact O-N 2.79Å; Y400-T411 VanDerWaalsContact CD2-C 3.44Å; Y400-T411 VanDerWaalsContact CD2-CA 3.49Å; Y400-E412 HydrophobicContact CD1-CB 3.67Å; Y400-E412 HydrophobicContact CD1-CG 3.95Å; Y400-E412 HydrophobicContact CE1-CB 3.52Å; Y400-E412 HydrophobicContact CE1-CG 3.97Å; Y400-E412 HydrophobicContact CG-CB 4.39Å
401	I	90	Very high	88	Confident	105 Å²	105	63.4 Å²	63.4	54%	0.538	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.3	-178.3	-55.5	175	0	0	0	111.4	E399 D408	E399-I401 PolarHBondContact O-N 3.36Å; I401-D408 HydrophobicContact CG1-CB 4.3Å
402	C	86.8	Confident	88	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	36%	0.36	C	S	.	.			trans	-81.7	113.8	173.9	-173.9	0	0	0	0	111.8	I404 C405 S406 A407 F409 L415 H422	C402-I404 PolarHBondContact O-N 3.1Å; C402-C405 PolarHBondContact O-N 2.79Å; C402-S406 WeakPolarHBondContact O-CA 3.48Å; C402-S406 PolarHBondContact O-N 3.06Å; C402-A407 WeakPolarHBondContact CB-O 3.37Å; C402-A407 PolarHBondContact N-O 3.47Å; C402-F409 HydrophobicContact CB-CE2 4.4Å; C402-L415 HydrophobicContact CB-CD1 3.57Å; C402-H422 VanDerWaalsContact SG-CD2 3.55Å; C402-H422 PolarHBondContact SG-NE2 3.05Å; C402-H422 VanDerWaalsContact SG-NE2 3.43Å
403	G	86.1	Confident	87.9	Confident	85 Å²	85	64.2 Å²	64.2	88%	0.876	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-3.1	178.6	0	0	0	0	0	116.6
404	I	82	Confident	87.7	Confident	114 Å²	114	64.7 Å²	64.7	59%	0.585	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-34.6	-179	-59	172.7	0	0	0	112.3	C402 H422	C402-I404 PolarHBondContact O-N 3.1Å; I404-H422 HydrophobicContact CB-CB 4.45Å; I404-H422 HydrophobicContact CD1-CB 3.6Å; I404-H422 HydrophobicContact CG2-CB 4Å
405	C	82.7	Confident	87.7	Confident	62 Å²	62	62.8 Å²	62.8	42%	0.419	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	8.6	-178.9	69.7	0	0	0	0	114.5	C402 A407 H418 H422	C402-C405 PolarHBondContact O-N 2.79Å; C405-A407 PolarHBondContact O-N 2.72Å; C405-A407 VanDerWaalsContact SG-CB 3.55Å; C405-H418 PolarHBondContact SG-NE2 2.76Å; C405-H422 PolarHBondContact SG-CE1 3.25Å; C405-H422 PolarHBondContact SG-NE2 3.16Å
406	S	85.8	Confident	87.6	Confident	95 Å²	95	67.4 Å²	67.4	66%	0.664	37%	0.372	S	S	*	.			trans	58.6	10.2	-177.1	-54.6	0	0	0	0	116	C402 D408	C402-S406 WeakPolarHBondContact O-CA 3.48Å; C402-S406 PolarHBondContact O-N 3.06Å; S406-D408 PolarHBondContact O-N 3Å
407	A	84.1	Confident	87.4	Confident	30 Å²	30	68.9 Å²	68.9	25%	0.248	38%	0.379	C	S	.	.			trans	-66.9	131	174.2	0	0	0	0	0	111.3	C402 C405 F409	C402-A407 WeakPolarHBondContact CB-O 3.37Å; C402-A407 PolarHBondContact N-O 3.47Å; C405-A407 PolarHBondContact O-N 2.72Å; C405-A407 VanDerWaalsContact SG-CB 3.55Å; A407-F409 HydrophobicContact CB-CE2 3.85Å; A407-F409 HydrophobicContact CB-CZ 4.1Å; A407-F409 WeakPolarHBondContact O-CD2 3.44Å; A407-F409 VanDerWaalsContact O-CE2 3.26Å; A407-F409 WeakPolarHBondContact O-CE2 3.45Å
408	D	89.2	Confident	87.2	Confident	67 Å²	67	66.3 Å²	66.3	36%	0.358	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144	-173.4	62.3	-66.6	0	0	0	112.6	R398 I401 S406	R398-D408 HydrophobicContact CB-CB 4.21Å; R398-D408 WeakPolarHBondContact CB-OD2 3.34Å; R398-D408 VanDerWaalsContact CD-OD2 3.3Å; R398-D408 WeakPolarHBondContact CD-OD2 3.34Å; R398-D408 IonicContact CZ-OD2 2.66Å; R398-D408 IonicContact NE-OD2 2.82Å; R398-D408 PolarHBondContact NE-OD2 2.8Å; R398-D408 PolarHBondContact NH2-O 2.88Å; R398-D408 IonicContact NH2-OD2 3.19Å; I401-D408 HydrophobicContact CG1-CB 4.3Å; S406-D408 PolarHBondContact O-N 3Å
409	F	89.6	Confident	86.8	Confident	28 Å²	28	63.8 Å²	63.8	12%	0.123	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.1	-176.4	-62.6	-86.3	0	0	0	112.4	R398 E399 Y400 C402 A407 L415 H418	R398-F409 CarbonylContact C-O 3.6Å; R398-F409 WeakPolarHBondContact CA-O 3.29Å; E399-F409 PolarHBondContact N-O 2.82Å; Y400-F409 WeakPolarHBondContact CB-O 3.27Å; Y400-F409 WeakPolarHBondContact CD2-O 3.42Å; Y400-F409 PolarHBondContact N-O 3.28Å; Y400-F409 WeakPolarHBondContact O-CB 3.18Å; Y400-F409 WeakPolarHBondContact O-CD2 3.38Å; Y400-F409 PolarHBondContact O-N 2.79Å; C402-F409 HydrophobicContact CB-CE2 4.4Å; A407-F409 HydrophobicContact CB-CE2 3.85Å; A407-F409 HydrophobicContact CB-CZ 4.1Å; A407-F409 WeakPolarHBondContact O-CD2 3.44Å; A407-F409 VanDerWaalsContact O-CE2 3.26Å; A407-F409 WeakPolarHBondContact O-CE2 3.45Å; F409-L415 HydrophobicContact CB-CB 4.23Å; F409-L415 HydrophobicContact CD2-CB 4.12Å; F409-L415 HydrophobicContact CD2-CD1 4.02Å; F409-L415 HydrophobicContact CE2-CD1 4.38Å; F409-L415 HydrophobicContact CG-CB 4.34Å; F409-H418 HydrophobicContact CE1-CB 3.94Å; F409-H418 HydrophobicContact CE2-CB 3.84Å; F409-H418 AromaticContact CE2-CD2 3.33Å; F409-H418 WeakPolarHBondContact CE2-CD2 3.34Å; F409-H418 AromaticContact CE2-CG 3.49Å; F409-H418 VanDerWaalsContact CE2-CG 3.49Å; F409-H418 AromaticContact CE2-NE2 3.86Å; F409-H418 HydrophobicContact CZ-CB 3.49Å; F409-H418 VanDerWaalsContact CZ-CB 3.49Å; F409-H418 AromaticContact CZ-CD2 3.55Å; F409-H418 AromaticContact CZ-CE1 3.91Å; F409-H418 AromaticContact CZ-CG 3.21Å; F409-H418 AromaticContact CZ-ND1 3.48Å; F409-H418 WeakPolarHBondContact CZ-ND1 3.24Å; F409-H418 AromaticContact CZ-NE2 3.97Å
410	A	90	Very high	86.2	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.033	35%	0.354	C	S	.	.	S	Bend	trans	-84	-10.9	-178.8	0	0	0	0	0	114.7	K392 R398	K392-A410 WeakPolarHBondContact O-CB 3.32Å; R398-A410 HydrophobicContact CG-CB 4.32Å
411	T	88.9	Confident	85.2	Confident	10 Å²	10	66.3 Å²	66.3	6%	0.061	37%	0.366	C	S	.	.	S	Bend	trans	-144.1	151.3	168.2	85.1	0	0	0	0	111.3	K392 Y400 T413 Y414 L415	K392-T411 HydrophobicContact CD-CG2 4.15Å; K392-T411 HydrophobicContact CG-CG2 4.24Å; Y400-T411 VanDerWaalsContact CD2-C 3.44Å; Y400-T411 VanDerWaalsContact CD2-CA 3.49Å; T411-T413 PolarHBondContact O-N 2.89Å; T411-T413 WeakPolarHBondContact OG1-CB 3.06Å; T411-T413 PolarHBondContact OG1-N 2.91Å; T411-T413 PolarHBondContact OG1-OG1 3.13Å; T411-Y414 HydrophobicContact CG2-CD2 4.04Å; T411-Y414 HydrophobicContact CG2-CE2 4.21Å; T411-Y414 PolarHBondContact O-N 3.35Å; T411-Y414 VanDerWaalsContact O-N 3.12Å; T411-Y414 WeakPolarHBondContact OG1-CD2 3.47Å; T411-Y414 PolarHBondContact OG1-N 3.38Å; T411-L415 PolarHBondContact O-N 3.29Å; T411-L415 VanDerWaalsContact O-N 3.12Å
412	E	90.2	Very high	84.4	Confident	84 Å²	84	63.7 Å²	63.7	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-55.8	-34.1	172	-155.4	-125	110.7	0	0	112.2	Y400 Y414 L415 R416	Y400-E412 HydrophobicContact CD1-CB 3.67Å; Y400-E412 HydrophobicContact CD1-CG 3.95Å; Y400-E412 HydrophobicContact CE1-CB 3.52Å; Y400-E412 HydrophobicContact CE1-CG 3.97Å; Y400-E412 HydrophobicContact CG-CB 4.39Å; E412-Y414 VanDerWaalsContact C-N 3.31Å; E412-Y414 PolarHBondContact O-N 2.97Å; E412-L415 PolarHBondContact O-N 2.83Å; E412-R416 VanDerWaalsContact O-CB 3.22Å; E412-R416 WeakPolarHBondContact O-CB 3.48Å; E412-R416 PolarHBondContact O-N 3.1Å; E412-R416 IonicContact OE1-CZ 3.46Å; E412-R416 IonicContact OE1-NE 3.44Å; E412-R416 PolarHBondContact OE1-NE 2.71Å; E412-R416 IonicContact OE1-NH2 2.67Å; E412-R416 PolarHBondContact OE1-NH2 3.07Å; E412-R416 IonicContact OE2-NH2 2.69Å; E412-R416 PolarHBondContact OE2-NH2 3.33Å
413	T	88.3	Confident	83.5	Confident	97 Å²	97	67.1 Å²	67.1	60%	0.595	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-37.4	178.3	-19.9	0	0	0	0	112.5	T411 S417	T411-T413 PolarHBondContact O-N 2.89Å; T411-T413 WeakPolarHBondContact OG1-CB 3.06Å; T411-T413 PolarHBondContact OG1-N 2.91Å; T411-T413 PolarHBondContact OG1-OG1 3.13Å; T413-S417 WeakPolarHBondContact O-CB 3.3Å; T413-S417 PolarHBondContact O-N 2.97Å; T413-S417 PolarHBondContact O-OG 3.21Å
414	Y	83.8	Confident	82.2	Confident	43 Å²	43	70.8 Å²	70.8	17%	0.169	37%	0.365	C	S	.	.	H	α-helix	trans	-77.9	-38.5	175.4	-66	-62.2	0	0	0	112.4	L277 R393 T411 E412 R416 S417 H418	L277-Y414 HydrophobicContact CD1-CD1 3.55Å; L277-Y414 HydrophobicContact CD1-CE1 3.97Å; L277-Y414 HydrophobicContact CD2-CD1 3.94Å; L277-Y414 HydrophobicContact CD2-CE1 3.95Å; L277-Y414 HydrophobicContact CG-CD1 4.34Å; L277-Y414 HydrophobicContact CG-CE1 4.41Å; R393-Y414 VanDerWaalsContact CD-OH 3.23Å; R393-Y414 WeakPolarHBondContact CD-OH 3.31Å; R393-Y414 HydrophobicContact CG-CD2 4.39Å; R393-Y414 HydrophobicContact CG-CE2 3.88Å; T411-Y414 HydrophobicContact CG2-CD2 4.04Å; T411-Y414 HydrophobicContact CG2-CE2 4.21Å; T411-Y414 PolarHBondContact O-N 3.35Å; T411-Y414 VanDerWaalsContact O-N 3.12Å; T411-Y414 WeakPolarHBondContact OG1-CD2 3.47Å; T411-Y414 PolarHBondContact OG1-N 3.38Å; E412-Y414 VanDerWaalsContact C-N 3.31Å; E412-Y414 PolarHBondContact O-N 2.97Å; Y414-R416 PolarHBondContact O-N 3.34Å; Y414-S417 PolarHBondContact O-N 2.9Å; Y414-H418 VanDerWaalsContact O-CB 3.31Å; Y414-H418 WeakPolarHBondContact O-CB 3.42Å; Y414-H418 PolarHBondContact O-N 3.32Å
415	L	88.4	Confident	81.1	Confident	28 Å²	28	70 Å²	70	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-57.5	-48.7	169.3	172.3	59.7	0	0	0	111	C402 F409 T411 E412 S417 H418 V419	C402-L415 HydrophobicContact CB-CD1 3.57Å; F409-L415 HydrophobicContact CB-CB 4.23Å; F409-L415 HydrophobicContact CD2-CB 4.12Å; F409-L415 HydrophobicContact CD2-CD1 4.02Å; F409-L415 HydrophobicContact CE2-CD1 4.38Å; F409-L415 HydrophobicContact CG-CB 4.34Å; T411-L415 PolarHBondContact O-N 3.29Å; T411-L415 VanDerWaalsContact O-N 3.12Å; E412-L415 PolarHBondContact O-N 2.83Å; L415-S417 VanDerWaalsContact C-N 3.26Å; L415-S417 PolarHBondContact O-N 2.99Å; L415-H418 CarbonylContact O-C 3.57Å; L415-H418 WeakPolarHBondContact O-CA 3.39Å; L415-H418 WeakPolarHBondContact O-CB 3.39Å; L415-H418 PolarHBondContact O-N 3.4Å; L415-V419 HydrophobicContact CD1-CG2 3.93Å; L415-V419 HydrophobicContact CG-CG2 4.43Å; L415-V419 WeakPolarHBondContact O-CG2 3.11Å; L415-V419 PolarHBondContact O-N 2.87Å
416	R	86.9	Confident	80.4	Confident	155 Å²	155	75.6 Å²	75.6	59%	0.585	37%	0.369	S	S	*	.	H	α-helix	trans	-64	-28.7	178.5	-164.6	-171	-67.4	-149.6	5.4	112.9	E412 Y414	E412-R416 VanDerWaalsContact O-CB 3.22Å; E412-R416 WeakPolarHBondContact O-CB 3.48Å; E412-R416 PolarHBondContact O-N 3.1Å; E412-R416 IonicContact OE1-CZ 3.46Å; E412-R416 IonicContact OE1-NE 3.44Å; E412-R416 PolarHBondContact OE1-NE 2.71Å; E412-R416 IonicContact OE1-NH2 2.67Å; E412-R416 PolarHBondContact OE1-NH2 3.07Å; E412-R416 IonicContact OE2-NH2 2.69Å; E412-R416 PolarHBondContact OE2-NH2 3.33Å; Y414-R416 PolarHBondContact O-N 3.34Å
417	S	82.3	Confident	79.9	Confident	48 Å²	48	74.4 Å²	74.4	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-76.1	-34.8	171.1	-60.1	0	0	0	0	112.3	T413 Y414 L415 R420	T413-S417 WeakPolarHBondContact O-CB 3.3Å; T413-S417 PolarHBondContact O-N 2.97Å; T413-S417 PolarHBondContact O-OG 3.21Å; Y414-S417 PolarHBondContact O-N 2.9Å; L415-S417 VanDerWaalsContact C-N 3.26Å; L415-S417 PolarHBondContact O-N 2.99Å; S417-R420 WeakPolarHBondContact O-CB 3.48Å
418	H	82.3	Confident	79.6	Confident	29 Å²	29	76.1 Å²	76.1	13%	0.134	36%	0.36	C	S	.	.	H	α-helix	trans	-74.2	-38	177.5	168.8	77.9	0	0	0	112.9	C405 F409 Y414 L415 R420 I421 H422	C405-H418 PolarHBondContact SG-NE2 2.76Å; F409-H418 HydrophobicContact CE1-CB 3.94Å; F409-H418 HydrophobicContact CE2-CB 3.84Å; F409-H418 AromaticContact CE2-CD2 3.33Å; F409-H418 WeakPolarHBondContact CE2-CD2 3.34Å; F409-H418 AromaticContact CE2-CG 3.49Å; F409-H418 VanDerWaalsContact CE2-CG 3.49Å; F409-H418 AromaticContact CE2-NE2 3.86Å; F409-H418 HydrophobicContact CZ-CB 3.49Å; F409-H418 VanDerWaalsContact CZ-CB 3.49Å; F409-H418 AromaticContact CZ-CD2 3.55Å; F409-H418 AromaticContact CZ-CE1 3.91Å; F409-H418 AromaticContact CZ-CG 3.21Å; F409-H418 AromaticContact CZ-ND1 3.48Å; F409-H418 WeakPolarHBondContact CZ-ND1 3.24Å; F409-H418 AromaticContact CZ-NE2 3.97Å; Y414-H418 VanDerWaalsContact O-CB 3.31Å; Y414-H418 WeakPolarHBondContact O-CB 3.42Å; Y414-H418 PolarHBondContact O-N 3.32Å; L415-H418 CarbonylContact O-C 3.57Å; L415-H418 WeakPolarHBondContact O-CA 3.39Å; L415-H418 WeakPolarHBondContact O-CB 3.39Å; L415-H418 PolarHBondContact O-N 3.4Å; H418-R420 PolarHBondContact O-N 3.13Å; H418-R420 VanDerWaalsContact O-N 3.07Å; H418-I421 WeakPolarHBondContact O-CG1 3.37Å; H418-I421 PolarHBondContact O-N 3.2Å; H418-H422 AromaticContact CD2-NE2 3.69Å; H418-H422 AromaticContact CE1-NE2 3.53Å; H418-H422 AromaticContact NE2-CD2 3.88Å; H418-H422 AromaticContact NE2-CE1 3.81Å; H418-H422 AromaticContact NE2-NE2 2.95Å; H418-H422 PolarHBondContact NE2-NE2 3.13Å
419	V	81.6	Confident	79.3	Confident	54 Å²	54	73 Å²	73	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-58.1	-26.8	176.8	171.2	0	0	0	0	111.9	L415 I421 H422 D423	L415-V419 HydrophobicContact CD1-CG2 3.93Å; L415-V419 HydrophobicContact CG-CG2 4.43Å; L415-V419 WeakPolarHBondContact O-CG2 3.11Å; L415-V419 PolarHBondContact O-N 2.87Å; V419-I421 PolarHBondContact O-N 3.13Å; V419-I421 VanDerWaalsContact O-N 3.11Å; V419-H422 PolarHBondContact O-N 3.32Å; V419-D423 WeakPolarHBondContact O-CB 3.49Å; V419-D423 PolarHBondContact O-N 3.46Å
420	R	77.8	Confident	78.9	Confident	147 Å²	147	78.4 Å²	78.4	56%	0.555	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.3	171	-56.9	177.4	-177	-168.6	-1.4	115.4	S417 H418 S437	S417-R420 WeakPolarHBondContact O-CB 3.48Å; H418-R420 PolarHBondContact O-N 3.13Å; H418-R420 VanDerWaalsContact O-N 3.07Å; R420-S437 WeakPolarHBondContact O-CB 3.24Å
421	I	71.5	Confident	78.6	Confident	106 Å²	106	83.9 Å²	83.9	54%	0.544	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-15.5	169.3	74.6	129.4	0	0	0	112.9	H418 V419	H418-I421 WeakPolarHBondContact O-CG1 3.37Å; H418-I421 PolarHBondContact O-N 3.2Å; V419-I421 PolarHBondContact O-N 3.13Å; V419-I421 VanDerWaalsContact O-N 3.11Å
422	H	74.2	Confident	78.5	Confident	51 Å²	51	86.1 Å²	86.1	24%	0.236	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-36.6	172.9	-54.6	-54.2	0	0	0	111.4	C402 I404 C405 H418 V419 E424	C402-H422 VanDerWaalsContact SG-CD2 3.55Å; C402-H422 PolarHBondContact SG-NE2 3.05Å; C402-H422 VanDerWaalsContact SG-NE2 3.43Å; I404-H422 HydrophobicContact CB-CB 4.45Å; I404-H422 HydrophobicContact CD1-CB 3.6Å; I404-H422 HydrophobicContact CG2-CB 4Å; C405-H422 PolarHBondContact SG-CE1 3.25Å; C405-H422 PolarHBondContact SG-NE2 3.16Å; H418-H422 AromaticContact CD2-NE2 3.69Å; H418-H422 AromaticContact CE1-NE2 3.53Å; H418-H422 AromaticContact NE2-CD2 3.88Å; H418-H422 AromaticContact NE2-CE1 3.81Å; H418-H422 AromaticContact NE2-NE2 2.95Å; H418-H422 PolarHBondContact NE2-NE2 3.13Å; V419-H422 PolarHBondContact O-N 3.32Å; H422-E424 PolarHBondContact O-N 3.1Å
423	D	68.9	Low	77.9	Confident	73 Å²	73	89.2 Å²	89.2	39%	0.39	43%	0.425	S	S	.	.	S	Bend	trans	-63.2	101.5	170.6	-155.4	55.2	0	0	0	108.6	V419 K425 R426	V419-D423 WeakPolarHBondContact O-CB 3.49Å; V419-D423 PolarHBondContact O-N 3.46Å; D423-K425 PolarHBondContact O-N 3.43Å; D423-K425 VanDerWaalsContact O-N 3.11Å; D423-R426 IonicContact OD2-CZ 2.64Å; D423-R426 IonicContact OD2-NE 3.4Å; D423-R426 PolarHBondContact OD2-NE 3.19Å; D423-R426 IonicContact OD2-NH2 2.95Å; D423-R426 PolarHBondContact OD2-NH2 2.89Å
424	E	57.4	Low	77.4	Confident	162 Å²	162	88.1 Å²	88.1	76%	0.757	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	118.2	-164.2	-84.7	-154.3	105.6	0	0	113	H422 R426	H422-E424 PolarHBondContact O-N 3.1Å; E424-R426 PolarHBondContact O-N 3.11Å
425	K	60.1	Low	77.2	Confident	98 Å²	98	86.5 Å²	86.5	43%	0.426	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	36	145.1	-69.7	-176.5	169.5	171.5	0	115.8	D423 F427 V428	D423-K425 PolarHBondContact O-N 3.43Å; D423-K425 VanDerWaalsContact O-N 3.11Å; K425-F427 CarbonylContact O-C 3.43Å; K425-F427 PolarHBondContact O-N 2.92Å; K425-V428 WeakPolarHBondContact O-CG2 3.36Å
426	R	67.1	Low	76.9	Confident	179 Å²	179	86.7 Å²	86.7	68%	0.675	41%	0.409	S	S	*	.	S	Bend	trans	-52.2	-18.9	-175.3	-161.6	-177.7	-71.8	-139.1	1.1	114.5	D423 E424	D423-R426 IonicContact OD2-CZ 2.64Å; D423-R426 IonicContact OD2-NE 3.4Å; D423-R426 PolarHBondContact OD2-NE 3.19Å; D423-R426 IonicContact OD2-NH2 2.95Å; D423-R426 PolarHBondContact OD2-NH2 2.89Å; E424-R426 PolarHBondContact O-N 3.11Å
427	F	75.4	Confident	76.6	Confident	70 Å²	70	81.6 Å²	81.6	31%	0.307	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	97.8	172.1	-54.9	-74.9	0	0	0	110.1	K425 G435 F436 N438 P439 L442	K425-F427 CarbonylContact O-C 3.43Å; K425-F427 PolarHBondContact O-N 2.92Å; F427-G435 CarbonylContact O-C 3.44Å; F427-G435 WeakPolarHBondContact O-CA 3.42Å; F427-F436 HydrophobicContact CB-CB 4.49Å; F427-F436 PolarHBondContact N-O 3.46Å; F427-F436 WeakPolarHBondContact O-CD2 3.34Å; F427-F436 PolarHBondContact O-N 3.01Å; F427-N438 VanDerWaalsContact CD2-C 3.47Å; F427-P439 HydrophobicContact CD1-CB 4.36Å; F427-P439 HydrophobicContact CD1-CG 4.08Å; F427-P439 HydrophobicContact CD2-CG 4.35Å; F427-P439 HydrophobicContact CE1-CB 4.41Å; F427-P439 HydrophobicContact CE1-CG 3.71Å; F427-P439 HydrophobicContact CE2-CG 3.99Å; F427-P439 HydrophobicContact CG-CG 4.39Å; F427-P439 HydrophobicContact CZ-CG 3.66Å; F427-L442 HydrophobicContact CB-CB 4.08Å; F427-L442 HydrophobicContact CB-CD2 3.78Å
428	V	76.7	Confident	76.6	Confident	66 Å²	66	81.2 Å²	81.2	40%	0.4	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.9	-178.8	-173.9	0	0	0	0	110.9	K425 L430	K425-V428 WeakPolarHBondContact O-CG2 3.36Å; V428-L430 PolarHBondContact O-N 3.42Å
429	C	83.6	Confident	76.6	Confident	1 Å²	1	83.3 Å²	83.3	1%	0.007	41%	0.407	C	S	.	.			trans	-70.5	122.7	165.2	173.8	0	0	0	0	109.7	E431 K433 H434 F436 L442 H445 M446	C429-E431 VanDerWaalsContact C-N 3.29Å; C429-E431 PolarHBondContact O-N 2.61Å; C429-K433 WeakPolarHBondContact O-CA 3.39Å; C429-K433 PolarHBondContact O-N 3.36Å; C429-H434 WeakPolarHBondContact CB-O 3.48Å; C429-H434 PolarHBondContact N-O 3.32Å; C429-F436 HydrophobicContact CB-CE2 4.45Å; C429-L442 HydrophobicContact CB-CD1 3.92Å; C429-H445 VanDerWaalsContact CB-NE2 3.34Å; C429-H445 WeakPolarHBondContact CB-NE2 3.32Å; C429-H445 PolarHBondContact SG-NE2 2.65Å; C429-H445 VanDerWaalsContact SG-NE2 3.42Å; C429-M446 HydrophobicContact CB-SD 4.13Å
430	L	81.2	Confident	76.9	Confident	141 Å²	141	84.4 Å²	84.4	74%	0.738	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.7	-176.3	-61.3	-179.3	0	0	0	113.2	V428 K433	V428-L430 PolarHBondContact O-N 3.42Å; L430-K433 PolarHBondContact O-NZ 2.83Å
431	E	83	Confident	77.3	Confident	119 Å²	119	79.9 Å²	79.9	56%	0.556	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-55.7	-178.4	-67.8	176.4	-117.5	0	0	113	C429 M446 H449	C429-E431 VanDerWaalsContact C-N 3.29Å; C429-E431 PolarHBondContact O-N 2.61Å; E431-M446 VanDerWaalsContact OE1-CE 3.31Å; E431-M446 WeakPolarHBondContact OE1-CE 3.23Å; E431-H449 WeakPolarHBondContact CB-ND1 3.46Å; E431-H449 WeakPolarHBondContact OE1-CB 3.35Å; E431-H449 IonicContact OE1-CG 3.05Å; E431-H449 IonicContact OE1-ND1 3.9Å; E431-H449 IonicContact OE2-CE1 3.98Å; E431-H449 IonicContact OE2-CG 3.88Å; E431-H449 IonicContact OE2-ND1 3.89Å; E431-H449 PolarHBondContact OE2-ND1 3.24Å
432	C	88.2	Confident	78.1	Confident	58 Å²	58	76.3 Å²	76.3	39%	0.392	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-2.1	-177.4	69.9	0	0	0	0	114.9	H434 H445	C432-H434 PolarHBondContact O-N 2.83Å; C432-H434 WeakPolarHBondContact SG-CB 3.2Å; C432-H445 PolarHBondContact SG-CE1 3.34Å; C432-H445 PolarHBondContact SG-NE2 2.83Å
433	K	77.5	Confident	78.8	Confident	149 Å²	149	80.7 Å²	80.7	65%	0.648	40%	0.404	S	S	*	.			trans	57.7	5.8	-173.8	-51	-62.1	-175.8	-173.4	0	115.4	C429 L430	C429-K433 WeakPolarHBondContact O-CA 3.39Å; C429-K433 PolarHBondContact O-N 3.36Å; L430-K433 PolarHBondContact O-NZ 2.83Å
434	H	77.9	Confident	79.8	Confident	73 Å²	73	79.6 Å²	79.6	34%	0.338	40%	0.399	S	S	.	.			trans	-68.1	145.4	170.7	-155.8	107.4	0	0	0	109.6	D265 C429 C432 F436	D265-H434 IonicContact OD2-CE1 2.83Å; D265-H434 IonicContact OD2-ND1 3.6Å; C429-H434 WeakPolarHBondContact CB-O 3.48Å; C429-H434 PolarHBondContact N-O 3.32Å; C432-H434 PolarHBondContact O-N 2.83Å; C432-H434 WeakPolarHBondContact SG-CB 3.2Å; H434-F436 HydrophobicContact CB-CE2 4.46Å; H434-F436 HydrophobicContact CB-CZ 4.36Å; H434-F436 AromaticContact CD2-CE1 3.91Å; H434-F436 AromaticContact CD2-CZ 3.56Å
435	G	79	Confident	81.3	Confident	9 Å²	9	73.2 Å²	73.2	9%	0.093	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.6	-173.5	0	0	0	0	0	114.3	F427	F427-G435 CarbonylContact O-C 3.44Å; F427-G435 WeakPolarHBondContact O-CA 3.42Å
436	F	82.1	Confident	82.8	Confident	33 Å²	33	70.8 Å²	70.8	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.9	-162.7	-55.6	-86.8	0	0	0	111	F427 C429 H434 N438 D441 L442 H445	F427-F436 HydrophobicContact CB-CB 4.49Å; F427-F436 PolarHBondContact N-O 3.46Å; F427-F436 WeakPolarHBondContact O-CD2 3.34Å; F427-F436 PolarHBondContact O-N 3.01Å; C429-F436 HydrophobicContact CB-CE2 4.45Å; H434-F436 HydrophobicContact CB-CE2 4.46Å; H434-F436 HydrophobicContact CB-CZ 4.36Å; H434-F436 AromaticContact CD2-CE1 3.91Å; H434-F436 AromaticContact CD2-CZ 3.56Å; F436-N438 VanDerWaalsContact C-N 3.28Å; F436-N438 PolarHBondContact O-N 3.41Å; F436-D441 HydrophobicContact CD1-CB 4.27Å; F436-L442 HydrophobicContact CB-CB 4.25Å; F436-L442 HydrophobicContact CD2-CB 3.78Å; F436-L442 HydrophobicContact CD2-CD1 3.69Å; F436-L442 HydrophobicContact CD2-CG 4.31Å; F436-L442 HydrophobicContact CE2-CD1 3.81Å; F436-L442 HydrophobicContact CG-CB 4.15Å; F436-H445 HydrophobicContact CE1-CB 3.88Å; F436-H445 HydrophobicContact CE2-CB 3.97Å; F436-H445 AromaticContact CE2-CD2 3.5Å; F436-H445 AromaticContact CE2-CG 3.65Å; F436-H445 HydrophobicContact CZ-CB 3.47Å; F436-H445 VanDerWaalsContact CZ-CB 3.47Å; F436-H445 AromaticContact CZ-CD2 3.56Å; F436-H445 AromaticContact CZ-CG 3.22Å; F436-H445 AromaticContact CZ-ND1 3.55Å
437	S	80.6	Confident	84	Confident	47 Å²	47	64 Å²	64	33%	0.329	33%	0.334	S	S	.	.	S	Bend	trans	-77.9	-9.1	179.3	57.8	0	0	0	0	114	R420	R420-S437 WeakPolarHBondContact O-CB 3.24Å
438	N	82	Confident	84.7	Confident	40 Å²	40	63.4 Å²	63.4	21%	0.214	33%	0.333	C	S	.	.	S	Bend	trans	-152.7	156.2	-179.7	69.2	88.1	0	0	0	112.6	F427 F436 S440 D441 L442	F427-N438 VanDerWaalsContact CD2-C 3.47Å; F436-N438 VanDerWaalsContact C-N 3.28Å; F436-N438 PolarHBondContact O-N 3.41Å; N438-S440 VanDerWaalsContact C-N 3.33Å; N438-S440 PolarHBondContact O-N 2.87Å; N438-S440 WeakPolarHBondContact OD1-CB 3.48Å; N438-S440 PolarHBondContact OD1-N 3.44Å; N438-D441 PolarHBondContact ND2-OD2 2.9Å; N438-D441 PolarHBondContact OD1-N 2.98Å; N438-L442 PolarHBondContact O-N 3.44Å
439	P	83.6	Confident	85.4	Confident	73 Å²	73	63 Å²	63	47%	0.474	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-29.5	-177.5	-16.2	28	0	0	0	113.9	F427 L442 K443	F427-P439 HydrophobicContact CD1-CB 4.36Å; F427-P439 HydrophobicContact CD1-CG 4.08Å; F427-P439 HydrophobicContact CD2-CG 4.35Å; F427-P439 HydrophobicContact CE1-CB 4.41Å; F427-P439 HydrophobicContact CE1-CG 3.71Å; F427-P439 HydrophobicContact CE2-CG 3.99Å; F427-P439 HydrophobicContact CG-CG 4.39Å; F427-P439 HydrophobicContact CZ-CG 3.66Å; P439-L442 PolarHBondContact O-N 2.72Å; P439-K443 WeakPolarHBondContact O-CB 3.35Å; P439-K443 PolarHBondContact O-N 3.4Å
440	S	87	Confident	85.7	Confident	78 Å²	78	68.2 Å²	68.2	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-70.3	-39.2	-175.9	-55.1	0	0	0	0	111.8	N438 K443 N444	N438-S440 VanDerWaalsContact C-N 3.33Å; N438-S440 PolarHBondContact O-N 2.87Å; N438-S440 WeakPolarHBondContact OD1-CB 3.48Å; N438-S440 PolarHBondContact OD1-N 3.44Å; S440-K443 PolarHBondContact O-N 2.96Å; S440-N444 WeakPolarHBondContact O-CB 3.32Å; S440-N444 PolarHBondContact O-N 3.45Å; S440-N444 PolarHBondContact O-ND2 2.87Å
441	D	87.3	Confident	86.1	Confident	52 Å²	52	65.8 Å²	65.8	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-73.6	-34.1	175.4	-67.9	-30.8	0	0	0	111.4	K278 F436 N438 N444 H445	K278-D441 IonicContact NZ-OD1 3.71Å; F436-D441 HydrophobicContact CD1-CB 4.27Å; N438-D441 PolarHBondContact ND2-OD2 2.9Å; N438-D441 PolarHBondContact OD1-N 2.98Å; D441-N444 PolarHBondContact O-N 3.16Å; D441-H445 WeakPolarHBondContact O-CB 3.34Å; D441-H445 PolarHBondContact O-N 3.04Å
442	L	87.5	Confident	86.5	Confident	31 Å²	31	63.3 Å²	63.3	16%	0.162	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-47.8	166.6	173.9	60.7	0	0	0	111.4	F427 C429 F436 N438 P439 N444 H445 M446	F427-L442 HydrophobicContact CB-CB 4.08Å; F427-L442 HydrophobicContact CB-CD2 3.78Å; C429-L442 HydrophobicContact CB-CD1 3.92Å; F436-L442 HydrophobicContact CB-CB 4.25Å; F436-L442 HydrophobicContact CD2-CB 3.78Å; F436-L442 HydrophobicContact CD2-CD1 3.69Å; F436-L442 HydrophobicContact CD2-CG 4.31Å; F436-L442 HydrophobicContact CE2-CD1 3.81Å; F436-L442 HydrophobicContact CG-CB 4.15Å; N438-L442 PolarHBondContact O-N 3.44Å; P439-L442 PolarHBondContact O-N 2.72Å; L442-N444 VanDerWaalsContact C-N 3.33Å; L442-N444 PolarHBondContact O-N 2.86Å; L442-H445 CarbonylContact O-C 3.52Å; L442-H445 WeakPolarHBondContact O-CA 3.09Å; L442-H445 WeakPolarHBondContact O-CB 3.19Å; L442-H445 PolarHBondContact O-N 3.27Å; L442-M446 HydrophobicContact CD1-CG 4.12Å; L442-M446 HydrophobicContact CD1-SD 4.03Å; L442-M446 HydrophobicContact CG-CG 4.42Å; L442-M446 WeakPolarHBondContact O-CG 3.15Å; L442-M446 PolarHBondContact O-N 3.42Å
443	K	88.9	Confident	86.7	Confident	142 Å²	142	64.5 Å²	64.5	62%	0.617	33%	0.33	S	S	*	.	H	α-helix	trans	-60.8	-41	177.4	-177.2	170.2	-178.9	171	0	112	P439 S440 H445 M446	P439-K443 WeakPolarHBondContact O-CB 3.35Å; P439-K443 PolarHBondContact O-N 3.4Å; S440-K443 PolarHBondContact O-N 2.96Å; K443-H445 VanDerWaalsContact C-N 3.27Å; K443-H445 PolarHBondContact O-N 3.42Å; K443-M446 PolarHBondContact O-N 2.81Å
444	N	89.6	Confident	87.3	Confident	51 Å²	51	60 Å²	60	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-30.7	174.2	-79.6	-52.9	0	0	0	112.8	S440 D441 L442 R447	S440-N444 WeakPolarHBondContact O-CB 3.32Å; S440-N444 PolarHBondContact O-N 3.45Å; S440-N444 PolarHBondContact O-ND2 2.87Å; D441-N444 PolarHBondContact O-N 3.16Å; L442-N444 VanDerWaalsContact C-N 3.33Å; L442-N444 PolarHBondContact O-N 2.86Å; N444-R447 WeakPolarHBondContact O-CB 3.28Å; N444-R447 PolarHBondContact OD1-NH1 3.09Å
445	H	90.1	Very high	87.9	Confident	27 Å²	27	59.3 Å²	59.3	13%	0.125	31%	0.311	C	S	.	.	H	α-helix	trans	-77	-37.8	175	162.7	83.3	0	0	0	113	C429 C432 F436 D441 L442 K443 R447 I448 H449	C429-H445 VanDerWaalsContact CB-NE2 3.34Å; C429-H445 WeakPolarHBondContact CB-NE2 3.32Å; C429-H445 PolarHBondContact SG-NE2 2.65Å; C429-H445 VanDerWaalsContact SG-NE2 3.42Å; C432-H445 PolarHBondContact SG-CE1 3.34Å; C432-H445 PolarHBondContact SG-NE2 2.83Å; F436-H445 HydrophobicContact CE1-CB 3.88Å; F436-H445 HydrophobicContact CE2-CB 3.97Å; F436-H445 AromaticContact CE2-CD2 3.5Å; F436-H445 AromaticContact CE2-CG 3.65Å; F436-H445 HydrophobicContact CZ-CB 3.47Å; F436-H445 VanDerWaalsContact CZ-CB 3.47Å; F436-H445 AromaticContact CZ-CD2 3.56Å; F436-H445 AromaticContact CZ-CG 3.22Å; F436-H445 AromaticContact CZ-ND1 3.55Å; D441-H445 WeakPolarHBondContact O-CB 3.34Å; D441-H445 PolarHBondContact O-N 3.04Å; L442-H445 CarbonylContact O-C 3.52Å; L442-H445 WeakPolarHBondContact O-CA 3.09Å; L442-H445 WeakPolarHBondContact O-CB 3.19Å; L442-H445 PolarHBondContact O-N 3.27Å; K443-H445 VanDerWaalsContact C-N 3.27Å; K443-H445 PolarHBondContact O-N 3.42Å; H445-R447 PolarHBondContact O-N 3.06Å; H445-I448 VanDerWaalsContact O-CB 3.23Å; H445-I448 WeakPolarHBondContact O-CB 3.35Å; H445-I448 VanDerWaalsContact O-CG1 3.32Å; H445-I448 WeakPolarHBondContact O-CG1 3.38Å; H445-I448 PolarHBondContact O-N 3.18Å; H445-H449 AromaticContact CE1-NE2 3.68Å; H445-H449 AromaticContact NE2-CD2 3.64Å; H445-H449 AromaticContact NE2-NE2 3.44Å; H445-H449 PolarHBondContact NE2-NE2 3.2Å
446	M	90.2	Very high	88.5	Confident	48 Å²	48	64.4 Å²	64.4	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-21.6	175.9	-69.6	-47	-58.2	0	0	112.9	C429 E431 L442 K443 I448 H449 N450	C429-M446 HydrophobicContact CB-SD 4.13Å; E431-M446 VanDerWaalsContact OE1-CE 3.31Å; E431-M446 WeakPolarHBondContact OE1-CE 3.23Å; L442-M446 HydrophobicContact CD1-CG 4.12Å; L442-M446 HydrophobicContact CD1-SD 4.03Å; L442-M446 HydrophobicContact CG-CG 4.42Å; L442-M446 WeakPolarHBondContact O-CG 3.15Å; L442-M446 PolarHBondContact O-N 3.42Å; K443-M446 PolarHBondContact O-N 2.81Å; M446-I448 PolarHBondContact O-N 3.49Å; M446-H449 HydrophobicContact CE-CB 3.98Å; M446-H449 PolarHBondContact O-N 3.28Å; M446-H449 VanDerWaalsContact O-N 3.1Å; M446-N450 PolarHBondContact O-N 2.93Å
447	R	92.4	Very high	88.8	Confident	36 Å²	36	62.9 Å²	62.9	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-21.3	168.6	-58.7	-166	156.6	144.8	-7.6	114.5	N444 H445 D451 E452 R465	N444-R447 WeakPolarHBondContact O-CB 3.28Å; N444-R447 PolarHBondContact OD1-NH1 3.09Å; H445-R447 PolarHBondContact O-N 3.06Å; R447-D451 CarbonylContact O-C 3.3Å; R447-D451 VanDerWaalsContact O-C 3.31Å; R447-D451 VanDerWaalsContact O-CA 3.23Å; R447-D451 WeakPolarHBondContact O-CA 3.36Å; R447-D451 PolarHBondContact O-N 3.07Å; R447-E452 HydrophobicContact CB-CB 4.02Å; R447-E452 HydrophobicContact CG-CB 4.04Å; R447-E452 WeakPolarHBondContact CG-OE2 3.37Å; R447-E452 IonicContact CZ-OE1 2.62Å; R447-E452 IonicContact NE-OE1 2.83Å; R447-E452 PolarHBondContact NE-OE1 2.93Å; R447-E452 IonicContact NE-OE2 2.67Å; R447-E452 PolarHBondContact NE-OE2 3.21Å; R447-E452 IonicContact NH2-OE1 3.78Å; R447-E452 PolarHBondContact NH2-OE1 3.08Å; R447-E452 PolarHBondContact O-N 2.95Å; R447-R465 HydrophobicContact CB-CG 3.65Å; R447-R465 HydrophobicContact CG-CG 4.46Å; R447-R465 PolarHBondContact O-NE 3.45Å; R447-R465 PolarHBondContact O-NH2 3.4Å
448	I	91.1	Very high	89	Confident	57 Å²	57	67.1 Å²	67.1	29%	0.292	34%	0.341	S	S	.	.	H	α-helix	trans	-71.1	-44.8	174.6	-59	176.5	0	0	0	109.5	F263 H445 M446	F263-I448 HydrophobicContact CE1-CG2 4.17Å; F263-I448 HydrophobicContact CE2-CG2 4.21Å; F263-I448 HydrophobicContact CZ-CG2 3.69Å; H445-I448 VanDerWaalsContact O-CB 3.23Å; H445-I448 WeakPolarHBondContact O-CB 3.35Å; H445-I448 VanDerWaalsContact O-CG1 3.32Å; H445-I448 WeakPolarHBondContact O-CG1 3.38Å; H445-I448 PolarHBondContact O-N 3.18Å; M446-I448 PolarHBondContact O-N 3.49Å
449	H	91.2	Very high	89.1	Confident	59 Å²	59	70 Å²	70	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-71.2	-51.8	-179.8	-70.7	-86.8	0	0	0	111.9	E431 H445 M446 D451	E431-H449 WeakPolarHBondContact CB-ND1 3.46Å; E431-H449 WeakPolarHBondContact OE1-CB 3.35Å; E431-H449 IonicContact OE1-CG 3.05Å; E431-H449 IonicContact OE1-ND1 3.9Å; E431-H449 IonicContact OE2-CE1 3.98Å; E431-H449 IonicContact OE2-CG 3.88Å; E431-H449 IonicContact OE2-ND1 3.89Å; E431-H449 PolarHBondContact OE2-ND1 3.24Å; H445-H449 AromaticContact CE1-NE2 3.68Å; H445-H449 AromaticContact NE2-CD2 3.64Å; H445-H449 AromaticContact NE2-NE2 3.44Å; H445-H449 PolarHBondContact NE2-NE2 3.2Å; M446-H449 HydrophobicContact CE-CB 3.98Å; M446-H449 PolarHBondContact O-N 3.28Å; M446-H449 VanDerWaalsContact O-N 3.1Å; H449-D451 PolarHBondContact O-N 3.47Å; H449-D451 VanDerWaalsContact O-N 3.09Å
450	N	90.3	Very high	89.4	Confident	110 Å²	110	69.7 Å²	69.7	59%	0.588	36%	0.359	S	S	*	.	S	Bend	trans	-74.7	2.9	177.7	-58.3	9.2	0	0	0	113.3	M446 E452	M446-N450 PolarHBondContact O-N 2.93Å; N450-E452 PolarHBondContact O-N 3.32Å
451	D	89.3	Confident	89.6	Confident	89 Å²	89	68.2 Å²	68.2	48%	0.476	36%	0.356	S	S	.	.			trans	45	19.8	-169.7	-142.8	9	0	0	0	116.6	R447 H449 K453 R465	R447-D451 CarbonylContact O-C 3.3Å; R447-D451 VanDerWaalsContact O-C 3.31Å; R447-D451 VanDerWaalsContact O-CA 3.23Å; R447-D451 WeakPolarHBondContact O-CA 3.36Å; R447-D451 PolarHBondContact O-N 3.07Å; H449-D451 PolarHBondContact O-N 3.47Å; H449-D451 VanDerWaalsContact O-N 3.09Å; D451-K453 WeakPolarHBondContact O-CD 3.45Å; D451-K453 WeakPolarHBondContact O-CE 3.41Å; D451-K453 WeakPolarHBondContact O-CG 3.28Å; D451-K453 PolarHBondContact O-N 2.99Å; D451-K453 PolarHBondContact O-NZ 3Å; D451-K453 WeakPolarHBondContact OD1-CE 3.44Å; D451-K453 IonicContact OD1-NZ 3.65Å; D451-K453 PolarHBondContact OD1-NZ 2.98Å; D451-K453 IonicContact OD2-NZ 3.52Å; D451-K453 PolarHBondContact OD2-NZ 3.02Å; D451-R465 IonicContact OD1-CZ 3.69Å; D451-R465 IonicContact OD1-NH2 3.41Å; D451-R465 PolarHBondContact OD1-NH2 3.47Å
452	E	91	Very high	89.8	Confident	68 Å²	68	71.4 Å²	71.4	32%	0.318	37%	0.367	S	S	.	.			trans	-57.4	124.9	-175.3	-166.2	-152.8	131	0	0	112.4	R447 N450 P454	R447-E452 HydrophobicContact CB-CB 4.02Å; R447-E452 HydrophobicContact CG-CB 4.04Å; R447-E452 WeakPolarHBondContact CG-OE2 3.37Å; R447-E452 IonicContact CZ-OE1 2.62Å; R447-E452 IonicContact NE-OE1 2.83Å; R447-E452 PolarHBondContact NE-OE1 2.93Å; R447-E452 IonicContact NE-OE2 2.67Å; R447-E452 PolarHBondContact NE-OE2 3.21Å; R447-E452 IonicContact NH2-OE1 3.78Å; R447-E452 PolarHBondContact NH2-OE1 3.08Å; R447-E452 PolarHBondContact O-N 2.95Å; N450-E452 PolarHBondContact O-N 3.32Å; E452-P454 WeakPolarHBondContact OE1-CG 3.47Å
453	K	92	Very high	90.1	Very high	83 Å²	83	71.7 Å²	71.7	36%	0.361	37%	0.374	S	S	.	.			trans	-131.8	68.1	-177.9	-68.2	148.9	-165.6	145.6	0	111	D451 F455 A463 F464	D451-K453 WeakPolarHBondContact O-CD 3.45Å; D451-K453 WeakPolarHBondContact O-CE 3.41Å; D451-K453 WeakPolarHBondContact O-CG 3.28Å; D451-K453 PolarHBondContact O-N 2.99Å; D451-K453 PolarHBondContact O-NZ 3Å; D451-K453 WeakPolarHBondContact OD1-CE 3.44Å; D451-K453 IonicContact OD1-NZ 3.65Å; D451-K453 PolarHBondContact OD1-NZ 2.98Å; D451-K453 IonicContact OD2-NZ 3.52Å; D451-K453 PolarHBondContact OD2-NZ 3.02Å; K453-F455 PolarHBondContact O-N 3.29Å; K453-A463 HydrophobicContact CB-CB 3.61Å; K453-A463 HydrophobicContact CD-CB 4.43Å; K453-F464 CarbonylContact C-O 3.59Å; K453-F464 VanDerWaalsContact CA-O 3.27Å; K453-F464 WeakPolarHBondContact CA-O 3.27Å
454	P	89.7	Confident	90.2	Very high	54 Å²	54	66.9 Å²	66.9	35%	0.351	35%	0.353	S	S	.	.			trans	-78.1	12.3	-165.8	36.9	-40.8	0	0	0	114.7	E452 F464	E452-P454 WeakPolarHBondContact OE1-CG 3.47Å; P454-F464 WeakPolarHBondContact CD-O 3.44Å
455	F	91.4	Very high	90.3	Very high	58 Å²	58	66.7 Å²	66.7	25%	0.254	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	92.8	178.5	-53.6	-75.4	0	0	0	109.1	K453 A463 F464 V467 F470	K453-F455 PolarHBondContact O-N 3.29Å; F455-A463 CarbonylContact O-C 3.37Å; F455-F464 HydrophobicContact CB-CB 4.33Å; F455-F464 WeakPolarHBondContact CD2-O 3.3Å; F455-F464 PolarHBondContact N-O 3.4Å; F455-F464 PolarHBondContact O-N 3.36Å; F455-V467 HydrophobicContact CD1-CB 4.16Å; F455-V467 HydrophobicContact CD1-CG2 4.07Å; F455-V467 HydrophobicContact CD2-CB 4.4Å; F455-V467 HydrophobicContact CE1-CB 3.79Å; F455-V467 HydrophobicContact CE1-CG2 3.87Å; F455-V467 HydrophobicContact CE2-CB 4.06Å; F455-V467 HydrophobicContact CG-CB 4.46Å; F455-V467 HydrophobicContact CZ-CB 3.74Å; F455-V467 HydrophobicContact CZ-CG2 4.34Å; F455-F470 HydrophobicContact CB-CB 3.69Å; F455-F470 HydrophobicContact CB-CD1 4.31Å; F455-F470 HydrophobicContact CB-CD2 3.97Å; F455-F470 HydrophobicContact CB-CG 3.73Å; F455-F470 HydrophobicContact CG-CB 4.39Å
456	E	90.9	Very high	90.2	Very high	117 Å²	117	69.1 Å²	69.1	55%	0.547	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140	-176.9	-168	174.2	155.4	0	0	112.8	G461 A463 F470	E456-G461 WeakPolarHBondContact OE1-CA 3.35Å; E456-A463 HydrophobicContact CB-CB 4.37Å; E456-A463 HydrophobicContact CG-CB 4.28Å; E456-F470 VanDerWaalsContact O-CE2 3.23Å; E456-F470 WeakPolarHBondContact O-CE2 3.25Å
457	C	87.8	Confident	90	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.5	176	-179.2	0	0	0	0	111.7	V459 C460 G461 K462 F470 H473 I474 H477	C457-V459 PolarHBondContact O-N 2.97Å; C457-C460 CarbonylContact O-C 3.14Å; C457-C460 PolarHBondContact O-N 3.12Å; C457-C460 VanDerWaalsContact SG-SG 3.68Å; C457-G461 PolarHBondContact O-N 3.12Å; C457-K462 HydrophobicContact CB-CB 4.5Å; C457-K462 PolarHBondContact N-O 3.45Å; C457-F470 HydrophobicContact CB-CE2 4.29Å; C457-H473 WeakPolarHBondContact CB-NE2 3.22Å; C457-H473 PolarHBondContact SG-NE2 3.21Å; C457-H473 VanDerWaalsContact SG-NE2 3.42Å; C457-I474 HydrophobicContact CB-CD1 4.16Å; C457-I474 VanDerWaalsContact SG-CD1 3.56Å; C457-H477 PolarHBondContact SG-CD2 3.22Å; C457-H477 PolarHBondContact SG-NE2 3.24Å
458	E	86	Confident	89.6	Confident	137 Å²	137	72.5 Å²	72.5	64%	0.64	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-30.8	173.6	-64.4	158.4	-127.3	0	0	114
459	V	83.2	Confident	89.3	Confident	100 Å²	100	71.2 Å²	71.2	61%	0.606	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19	-178	-171.3	0	0	0	0	113.2	C457 H477	C457-V459 PolarHBondContact O-N 2.97Å; V459-H477 HydrophobicContact CG1-CB 4.43Å
460	C	91.4	Very high	89.2	Confident	67 Å²	67	69.7 Å²	69.7	45%	0.453	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	15.3	-175.3	66.3	0	0	0	0	116.3	C457 K462 H473 H477	C457-C460 CarbonylContact O-C 3.14Å; C457-C460 PolarHBondContact O-N 3.12Å; C457-C460 VanDerWaalsContact SG-SG 3.68Å; C460-K462 PolarHBondContact O-N 2.86Å; C460-K462 VanDerWaalsContact O-N 3.08Å; C460-H473 PolarHBondContact SG-NE2 3.38Å; C460-H477 PolarHBondContact SG-NE2 3.39Å; C460-H477 VanDerWaalsContact SG-NE2 3.39Å
461	G	89.4	Confident	88.9	Confident	47 Å²	47	70.7 Å²	70.7	49%	0.485	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	11.6	-179.5	0	0	0	0	0	115.2	E456 C457 A463	E456-G461 WeakPolarHBondContact OE1-CA 3.35Å; C457-G461 PolarHBondContact O-N 3.12Å; G461-A463 PolarHBondContact O-N 3.24Å
462	K	93.2	Very high	88.5	Confident	118 Å²	118	67.6 Å²	67.6	51%	0.513	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.7	-170.6	-165.5	166.3	-173.8	163.8	0	111.4	C457 C460 F464	C457-K462 HydrophobicContact CB-CB 4.5Å; C457-K462 PolarHBondContact N-O 3.45Å; C460-K462 PolarHBondContact O-N 2.86Å; C460-K462 VanDerWaalsContact O-N 3.08Å; K462-F464 HydrophobicContact CB-CE2 3.99Å; K462-F464 HydrophobicContact CB-CZ 4.49Å; K462-F464 HydrophobicContact CD-CE2 4.23Å; K462-F464 HydrophobicContact CD-CZ 3.88Å; K462-F464 HydrophobicContact CG-CE2 3.71Å; K462-F464 HydrophobicContact CG-CZ 3.84Å; K462-F464 WeakPolarHBondContact O-CD2 3.38Å; K462-F464 WeakPolarHBondContact O-CE2 3.22Å
463	A	92.6	Very high	88.4	Confident	37 Å²	37	65.4 Å²	65.4	31%	0.306	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.4	-178.9	0	0	0	0	0	113.8	K453 F455 E456 G461	K453-A463 HydrophobicContact CB-CB 3.61Å; K453-A463 HydrophobicContact CD-CB 4.43Å; F455-A463 CarbonylContact O-C 3.37Å; E456-A463 HydrophobicContact CB-CB 4.37Å; E456-A463 HydrophobicContact CG-CB 4.28Å; G461-A463 PolarHBondContact O-N 3.24Å
464	F	90.6	Very high	88.1	Confident	41 Å²	41	63.4 Å²	63.4	18%	0.18	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144	-176.6	-65.5	-97.2	0	0	0	112.7	K453 P454 F455 K462 F470 H473	K453-F464 CarbonylContact C-O 3.59Å; K453-F464 VanDerWaalsContact CA-O 3.27Å; K453-F464 WeakPolarHBondContact CA-O 3.27Å; P454-F464 WeakPolarHBondContact CD-O 3.44Å; F455-F464 HydrophobicContact CB-CB 4.33Å; F455-F464 WeakPolarHBondContact CD2-O 3.3Å; F455-F464 PolarHBondContact N-O 3.4Å; F455-F464 PolarHBondContact O-N 3.36Å; K462-F464 HydrophobicContact CB-CE2 3.99Å; K462-F464 HydrophobicContact CB-CZ 4.49Å; K462-F464 HydrophobicContact CD-CE2 4.23Å; K462-F464 HydrophobicContact CD-CZ 3.88Å; K462-F464 HydrophobicContact CG-CE2 3.71Å; K462-F464 HydrophobicContact CG-CZ 3.84Å; K462-F464 WeakPolarHBondContact O-CD2 3.38Å; K462-F464 WeakPolarHBondContact O-CE2 3.22Å; F464-F470 HydrophobicContact CB-CB 4.1Å; F464-F470 HydrophobicContact CD2-CB 4.37Å; F464-F470 HydrophobicContact CD2-CD2 4.14Å; F464-F470 HydrophobicContact CG-CB 4.29Å; F464-H473 HydrophobicContact CE1-CB 3.89Å; F464-H473 HydrophobicContact CE2-CB 3.89Å; F464-H473 AromaticContact CE2-CD2 3.22Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.49Å; F464-H473 AromaticContact CE2-CG 3.61Å; F464-H473 AromaticContact CE2-NE2 3.96Å; F464-H473 HydrophobicContact CZ-CB 3.35Å; F464-H473 AromaticContact CZ-CD2 3.44Å; F464-H473 VanDerWaalsContact CZ-CD2 3.44Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.44Å; F464-H473 AromaticContact CZ-CG 3.28Å
465	R	92.2	Very high	87.9	Confident	47 Å²	47	63.7 Å²	63.7	18%	0.177	34%	0.344	C	S	.	.	S	Bend	trans	-74.5	-25.3	178.1	-178	167.1	-71.3	131	8.7	114.7	R447 D451	R447-R465 HydrophobicContact CB-CG 3.65Å; R447-R465 HydrophobicContact CG-CG 4.46Å; R447-R465 PolarHBondContact O-NE 3.45Å; R447-R465 PolarHBondContact O-NH2 3.4Å; D451-R465 IonicContact OD1-CZ 3.69Å; D451-R465 IonicContact OD1-NH2 3.41Å; D451-R465 PolarHBondContact OD1-NH2 3.47Å
466	H	88.3	Confident	87.6	Confident	79 Å²	79	66.5 Å²	66.5	37%	0.366	36%	0.361	S	S	.	.	S	Bend	trans	-138.1	137.6	-175.4	-53.8	-62.1	0	0	0	111.6	S468 G469 F470	H466-S468 PolarHBondContact O-N 2.81Å; H466-S468 VanDerWaalsContact O-N 3.17Å; H466-G469 PolarHBondContact O-N 3.48Å; H466-F470 PolarHBondContact O-N 3.26Å; H466-F470 VanDerWaalsContact O-N 3.11Å
467	V	86.6	Confident	87.1	Confident	65 Å²	65	64.7 Å²	64.7	39%	0.394	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-28.6	-177.1	75.3	0	0	0	0	113.7	F455 F470 Y471	F455-V467 HydrophobicContact CD1-CB 4.16Å; F455-V467 HydrophobicContact CD1-CG2 4.07Å; F455-V467 HydrophobicContact CD2-CB 4.4Å; F455-V467 HydrophobicContact CE1-CB 3.79Å; F455-V467 HydrophobicContact CE1-CG2 3.87Å; F455-V467 HydrophobicContact CE2-CB 4.06Å; F455-V467 HydrophobicContact CG-CB 4.46Å; F455-V467 HydrophobicContact CZ-CB 3.74Å; F455-V467 HydrophobicContact CZ-CG2 4.34Å; V467-F470 PolarHBondContact O-N 2.66Å; V467-Y471 HydrophobicContact CG2-CD2 3.8Å; V467-Y471 HydrophobicContact CG2-CE2 3.51Å; V467-Y471 WeakPolarHBondContact O-CD2 3.21Å; V467-Y471 PolarHBondContact O-N 3.04Å
468	S	83.2	Confident	86.9	Confident	90 Å²	90	68.8 Å²	68.8	63%	0.629	38%	0.377	S	S	*	.	H	α-helix	trans	-68.9	-38.1	175.2	50.9	0	0	0	0	112.8	H466 A472	H466-S468 PolarHBondContact O-N 2.81Å; H466-S468 VanDerWaalsContact O-N 3.17Å; S468-A472 VanDerWaalsContact O-CB 3.25Å; S468-A472 WeakPolarHBondContact O-CB 3.3Å; S468-A472 PolarHBondContact O-N 3.34Å; S468-A472 VanDerWaalsContact O-N 3.12Å
469	G	85.6	Confident	86.7	Confident	30 Å²	30	63 Å²	63	31%	0.309	35%	0.354	S	S	.	.	H	α-helix	trans	-69.6	-40.6	173	0	0	0	0	0	111.7	H466 A472 H473	H466-G469 PolarHBondContact O-N 3.48Å; G469-A472 PolarHBondContact O-N 3.47Å; G469-H473 WeakPolarHBondContact O-CB 3.44Å; G469-H473 PolarHBondContact O-N 3.35Å
470	F	88.2	Confident	86.6	Confident	27 Å²	27	62 Å²	62	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-56.8	173.7	173.5	-109.4	0	0	0	112.3	F455 E456 C457 F464 H466 V467 A472 H473 I474	F455-F470 HydrophobicContact CB-CB 3.69Å; F455-F470 HydrophobicContact CB-CD1 4.31Å; F455-F470 HydrophobicContact CB-CD2 3.97Å; F455-F470 HydrophobicContact CB-CG 3.73Å; F455-F470 HydrophobicContact CG-CB 4.39Å; E456-F470 VanDerWaalsContact O-CE2 3.23Å; E456-F470 WeakPolarHBondContact O-CE2 3.25Å; C457-F470 HydrophobicContact CB-CE2 4.29Å; F464-F470 HydrophobicContact CB-CB 4.1Å; F464-F470 HydrophobicContact CD2-CB 4.37Å; F464-F470 HydrophobicContact CD2-CD2 4.14Å; F464-F470 HydrophobicContact CG-CB 4.29Å; H466-F470 PolarHBondContact O-N 3.26Å; H466-F470 VanDerWaalsContact O-N 3.11Å; V467-F470 PolarHBondContact O-N 2.66Å; F470-A472 VanDerWaalsContact C-N 3.33Å; F470-A472 PolarHBondContact O-N 3.02Å; F470-H473 CarbonylContact O-C 3.57Å; F470-H473 WeakPolarHBondContact O-CA 3.39Å; F470-H473 WeakPolarHBondContact O-CB 3.43Å; F470-H473 PolarHBondContact O-N 3.46Å; F470-I474 HydrophobicContact CD1-CG1 4.35Å; F470-I474 HydrophobicContact CD2-CD1 4.48Å; F470-I474 HydrophobicContact CD2-CG1 4.18Å; F470-I474 HydrophobicContact CE1-CG1 3.97Å; F470-I474 HydrophobicContact CE2-CD1 3.72Å; F470-I474 HydrophobicContact CE2-CG1 3.76Å; F470-I474 HydrophobicContact CG-CG1 4.46Å; F470-I474 HydrophobicContact CZ-CD1 3.78Å; F470-I474 HydrophobicContact CZ-CG1 3.67Å; F470-I474 WeakPolarHBondContact O-CG1 3.21Å; F470-I474 PolarHBondContact O-N 2.84Å
471	Y	84.5	Confident	86.4	Confident	130 Å²	130	61.4 Å²	61.4	51%	0.51	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-35.9	179	-75.3	-54.2	0	0	0	113	V467 H473 I474 R475	V467-Y471 HydrophobicContact CG2-CD2 3.8Å; V467-Y471 HydrophobicContact CG2-CE2 3.51Å; V467-Y471 WeakPolarHBondContact O-CD2 3.21Å; V467-Y471 PolarHBondContact O-N 3.04Å; Y471-H473 PolarHBondContact O-N 3.31Å; Y471-I474 PolarHBondContact O-N 3.12Å; Y471-R475 WeakPolarHBondContact O-CG 3.4Å; Y471-R475 PolarHBondContact O-N 3.11Å
472	A	81.8	Confident	86.2	Confident	25 Å²	25	62.5 Å²	62.5	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-24.7	173.6	0	0	0	0	0	113.1	S468 G469 F470	S468-A472 VanDerWaalsContact O-CB 3.25Å; S468-A472 WeakPolarHBondContact O-CB 3.3Å; S468-A472 PolarHBondContact O-N 3.34Å; S468-A472 VanDerWaalsContact O-N 3.12Å; G469-A472 PolarHBondContact O-N 3.47Å; F470-A472 VanDerWaalsContact C-N 3.33Å; F470-A472 PolarHBondContact O-N 3.02Å
473	H	87.5	Confident	85.9	Confident	22 Å²	22	60.5 Å²	60.5	10%	0.102	33%	0.326	C	S	.	.	H	α-helix	trans	-84.4	-42.5	172.4	165.2	63.4	0	0	0	113.1	C457 C460 F464 G469 F470 Y471 R475 I476 H477	C457-H473 WeakPolarHBondContact CB-NE2 3.22Å; C457-H473 PolarHBondContact SG-NE2 3.21Å; C457-H473 VanDerWaalsContact SG-NE2 3.42Å; C460-H473 PolarHBondContact SG-NE2 3.38Å; F464-H473 HydrophobicContact CE1-CB 3.89Å; F464-H473 HydrophobicContact CE2-CB 3.89Å; F464-H473 AromaticContact CE2-CD2 3.22Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.49Å; F464-H473 AromaticContact CE2-CG 3.61Å; F464-H473 AromaticContact CE2-NE2 3.96Å; F464-H473 HydrophobicContact CZ-CB 3.35Å; F464-H473 AromaticContact CZ-CD2 3.44Å; F464-H473 VanDerWaalsContact CZ-CD2 3.44Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.44Å; F464-H473 AromaticContact CZ-CG 3.28Å; G469-H473 WeakPolarHBondContact O-CB 3.44Å; G469-H473 PolarHBondContact O-N 3.35Å; F470-H473 CarbonylContact O-C 3.57Å; F470-H473 WeakPolarHBondContact O-CA 3.39Å; F470-H473 WeakPolarHBondContact O-CB 3.43Å; F470-H473 PolarHBondContact O-N 3.46Å; Y471-H473 PolarHBondContact O-N 3.31Å; H473-R475 PolarHBondContact O-N 2.99Å; H473-R475 VanDerWaalsContact O-N 3.17Å; H473-I476 WeakPolarHBondContact O-CB 3.22Å; H473-I476 WeakPolarHBondContact O-CG1 3.42Å; H473-I476 PolarHBondContact O-N 3.05Å; H473-H477 AromaticContact CE1-CD2 3.97Å; H473-H477 AromaticContact CE1-NE2 3.24Å; H473-H477 PolarHBondContact CE1-NE2 3.31Å; H473-H477 AromaticContact NE2-CD2 3.87Å; H473-H477 AromaticContact NE2-NE2 3.22Å; H473-H477 PolarHBondContact NE2-NE2 3.5Å
474	I	86.5	Confident	85.8	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.205	33%	0.332	C	S	.	.	H	α-helix	trans	-53.9	-37	175.6	-68.7	-62.9	0	0	0	111.1	C457 F470 Y471 I476 H477 T478	C457-I474 HydrophobicContact CB-CD1 4.16Å; C457-I474 VanDerWaalsContact SG-CD1 3.56Å; F470-I474 HydrophobicContact CD1-CG1 4.35Å; F470-I474 HydrophobicContact CD2-CD1 4.48Å; F470-I474 HydrophobicContact CD2-CG1 4.18Å; F470-I474 HydrophobicContact CE1-CG1 3.97Å; F470-I474 HydrophobicContact CE2-CD1 3.72Å; F470-I474 HydrophobicContact CE2-CG1 3.76Å; F470-I474 HydrophobicContact CG-CG1 4.46Å; F470-I474 HydrophobicContact CZ-CD1 3.78Å; F470-I474 HydrophobicContact CZ-CG1 3.67Å; F470-I474 WeakPolarHBondContact O-CG1 3.21Å; F470-I474 PolarHBondContact O-N 2.84Å; Y471-I474 PolarHBondContact O-N 3.12Å; I474-I476 PolarHBondContact O-N 3.17Å; I474-I476 VanDerWaalsContact O-N 3.12Å; I474-H477 PolarHBondContact O-N 3.22Å; I474-T478 HydrophobicContact CG2-CG2 4.26Å; I474-T478 PolarHBondContact O-N 3.3Å
475	R	85.8	Confident	85.8	Confident	61 Å²	61	61.6 Å²	61.6	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-57.2	-23.1	173.7	-73.6	-171.6	171.4	149.8	7.2	115.5	Y471 H473 T478 G479 E480 S493	Y471-R475 WeakPolarHBondContact O-CG 3.4Å; Y471-R475 PolarHBondContact O-N 3.11Å; H473-R475 PolarHBondContact O-N 2.99Å; H473-R475 VanDerWaalsContact O-N 3.17Å; R475-T478 WeakPolarHBondContact CA-OG1 3.18Å; R475-G479 PolarHBondContact O-N 3.03Å; R475-G479 VanDerWaalsContact O-N 3.12Å; R475-E480 HydrophobicContact CB-CB 4.14Å; R475-E480 HydrophobicContact CG-CB 3.74Å; R475-E480 IonicContact CZ-OE2 3.69Å; R475-E480 IonicContact NE-OE2 3.31Å; R475-E480 PolarHBondContact NE-OE2 2.96Å; R475-E480 IonicContact NH2-OE2 2.66Å; R475-E480 PolarHBondContact O-N 2.85Å; R475-S493 VanDerWaalsContact CD-O 3.27Å; R475-S493 WeakPolarHBondContact CD-O 3.47Å; R475-S493 PolarHBondContact NH1-O 2.73Å
476	I	83.6	Confident	85.6	Confident	117 Å²	117	67.9 Å²	67.9	60%	0.6	36%	0.357	S	S	*	.	H	α-helix	trans	-70.5	-36.3	175.4	-55.4	174.5	0	0	0	110.2	H473 I474	H473-I476 WeakPolarHBondContact O-CB 3.22Å; H473-I476 WeakPolarHBondContact O-CG1 3.42Å; H473-I476 PolarHBondContact O-N 3.05Å; I474-I476 PolarHBondContact O-N 3.17Å; I474-I476 VanDerWaalsContact O-N 3.12Å
477	H	82.2	Confident	85.6	Confident	79 Å²	79	70.5 Å²	70.5	37%	0.366	37%	0.373	S	S	.	.	H	α-helix	trans	-78.1	-29	177.6	-60	-62.7	0	0	0	112.8	C457 V459 C460 H473 I474	C457-H477 PolarHBondContact SG-CD2 3.22Å; C457-H477 PolarHBondContact SG-NE2 3.24Å; V459-H477 HydrophobicContact CG1-CB 4.43Å; C460-H477 PolarHBondContact SG-NE2 3.39Å; C460-H477 VanDerWaalsContact SG-NE2 3.39Å; H473-H477 AromaticContact CE1-CD2 3.97Å; H473-H477 AromaticContact CE1-NE2 3.24Å; H473-H477 PolarHBondContact CE1-NE2 3.31Å; H473-H477 AromaticContact NE2-CD2 3.87Å; H473-H477 AromaticContact NE2-NE2 3.22Å; H473-H477 PolarHBondContact NE2-NE2 3.5Å; I474-H477 PolarHBondContact O-N 3.22Å
478	T	81.7	Confident	85.9	Confident	85 Å²	85	69.9 Å²	69.9	52%	0.521	37%	0.37	S	S	.	.	H	α-helix	trans	-92.3	-9.1	-179	64.4	0	0	0	0	114.9	I474 R475 E480	I474-T478 HydrophobicContact CG2-CG2 4.26Å; I474-T478 PolarHBondContact O-N 3.3Å; R475-T478 WeakPolarHBondContact CA-OG1 3.18Å; T478-E480 PolarHBondContact O-N 3.29Å; T478-E480 WeakPolarHBondContact OG1-CB 3.42Å; T478-E480 PolarHBondContact OG1-N 3.42Å
479	G	81.8	Confident	86	Confident	15 Å²	15	68.6 Å²	68.6	16%	0.155	37%	0.365	C	S	.	.			trans	72.3	-2	-171.2	0	0	0	0	0	114.8	R475 T481	R475-G479 PolarHBondContact O-N 3.03Å; R475-G479 VanDerWaalsContact O-N 3.12Å; G479-T481 PolarHBondContact O-N 2.97Å
480	E	82.3	Confident	86.2	Confident	81 Å²	81	73.5 Å²	73.5	38%	0.379	38%	0.378	S	S	.	.			trans	-58.1	111.1	-176.7	-91.9	-160.7	-178.8	0	0	112.5	R475 T478 P482 S493	R475-E480 HydrophobicContact CB-CB 4.14Å; R475-E480 HydrophobicContact CG-CB 3.74Å; R475-E480 IonicContact CZ-OE2 3.69Å; R475-E480 IonicContact NE-OE2 3.31Å; R475-E480 PolarHBondContact NE-OE2 2.96Å; R475-E480 IonicContact NH2-OE2 2.66Å; R475-E480 PolarHBondContact O-N 2.85Å; T478-E480 PolarHBondContact O-N 3.29Å; T478-E480 WeakPolarHBondContact OG1-CB 3.42Å; T478-E480 PolarHBondContact OG1-N 3.42Å; E480-P482 VanDerWaalsContact O-CD 3.3Å; E480-P482 WeakPolarHBondContact O-CD 3.43Å; E480-S493 WeakPolarHBondContact O-CB 3.37Å
481	T	87.2	Confident	86.3	Confident	53 Å²	53	78.2 Å²	78.2	33%	0.325	40%	0.398	S	S	.	.			trans	-122.1	64	177.3	47.3	0	0	0	0	112.1	G479 Y483 K491 F492	G479-T481 PolarHBondContact O-N 2.97Å; T481-Y483 PolarHBondContact O-N 3.18Å; T481-K491 HydrophobicContact CG2-CB 4.34Å; T481-K491 WeakPolarHBondContact OG1-CB 3.34Å; T481-F492 CarbonylContact C-O 3.58Å; T481-F492 VanDerWaalsContact C-O 3.24Å; T481-F492 WeakPolarHBondContact CA-O 3.26Å
482	P	85.2	Confident	86.4	Confident	71 Å²	71	74 Å²	74	46%	0.461	38%	0.383	S	S	.	.			trans	-71.7	3.7	-168.9	30.8	-37.8	0	0	0	115.5	E480	E480-P482 VanDerWaalsContact O-CD 3.3Å; E480-P482 WeakPolarHBondContact O-CD 3.43Å
483	Y	87.4	Confident	86.5	Confident	76 Å²	76	74.2 Å²	74.2	30%	0.298	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	101.8	174.3	-48.3	-73.3	0	0	0	109.6	T481 K491 F492 A495 F498	T481-Y483 PolarHBondContact O-N 3.18Å; Y483-K491 CarbonylContact O-C 3.56Å; Y483-K491 WeakPolarHBondContact O-CA 3.5Å; Y483-F492 WeakPolarHBondContact CD2-O 3.42Å; Y483-F492 PolarHBondContact N-O 3Å; Y483-F492 PolarHBondContact O-N 3.4Å; Y483-A495 HydrophobicContact CD1-CB 4.42Å; Y483-A495 HydrophobicContact CD2-CB 4.39Å; Y483-A495 HydrophobicContact CE1-CB 3.93Å; Y483-A495 HydrophobicContact CE2-CB 3.9Å; Y483-F498 HydrophobicContact CD1-CD1 4.38Å; Y483-F498 HydrophobicContact CG-CB 4.29Å; Y483-F498 HydrophobicContact CG-CD1 4.33Å; Y483-F498 HydrophobicContact CG-CG 4.46Å
484	Q	89.8	Confident	86.5	Confident	96 Å²	96	75.5 Å²	75.5	45%	0.449	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.1	177.4	-178.6	167.6	-38.4	0	0	110.9	K491 F498	Q484-K491 HydrophobicContact CB-CG 4.3Å; Q484-K491 HydrophobicContact CG-CG 4.14Å; Q484-K491 VanDerWaalsContact OE1-CE 3.25Å; Q484-F498 VanDerWaalsContact O-CE2 3.28Å; Q484-F498 WeakPolarHBondContact O-CE2 3.38Å; Q484-F498 WeakPolarHBondContact O-CZ 3.48Å
485	C	89.4	Confident	86.4	Confident	4 Å²	4	75.2 Å²	75.2	3%	0.027	39%	0.394	C	S	.	.			trans	-89.1	113.2	170.7	-168.1	0	0	0	0	110.6	L487 C488 A489 K490 F498 H505	C485-L487 VanDerWaalsContact C-N 3.26Å; C485-L487 PolarHBondContact O-N 2.8Å; C485-C488 PolarHBondContact O-N 3.43Å; C485-A489 WeakPolarHBondContact O-CA 3.47Å; C485-A489 PolarHBondContact O-N 3.34Å; C485-K490 PolarHBondContact N-O 2.96Å; C485-F498 HydrophobicContact CB-CE2 3.96Å; C485-H505 PolarHBondContact SG-CD2 3.26Å; C485-H505 PolarHBondContact SG-NE2 3.02Å
486	E	89.6	Confident	86.4	Confident	179 Å²	179	75.7 Å²	75.7	84%	0.836	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.6	176.2	-69	144.9	-158.9	0	0	112.1	C488	E486-C488 VanDerWaalsContact C-N 3.3Å; E486-C488 PolarHBondContact O-N 2.95Å
487	L	88.7	Confident	86.7	Confident	135 Å²	135	73.6 Å²	73.6	71%	0.707	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-14.2	-175.2	-60.1	177.1	0	0	0	115.1	C485 H505	C485-L487 VanDerWaalsContact C-N 3.26Å; C485-L487 PolarHBondContact O-N 2.8Å; L487-H505 HydrophobicContact CD1-CB 3.6Å
488	C	91.4	Very high	87	Confident	51 Å²	51	71.9 Å²	71.9	35%	0.345	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.1	22.7	178.3	75.7	0	0	0	0	114.9	C485 E486 K490 H501 H505	C485-C488 PolarHBondContact O-N 3.43Å; E486-C488 VanDerWaalsContact C-N 3.3Å; E486-C488 PolarHBondContact O-N 2.95Å; C488-K490 PolarHBondContact O-N 3.06Å; C488-H501 PolarHBondContact SG-NE2 2.99Å; C488-H501 VanDerWaalsContact SG-NE2 3.37Å; C488-H505 PolarHBondContact SG-NE2 2.8Å; C488-H505 VanDerWaalsContact SG-NE2 3.41Å
489	A	86.3	Confident	87.4	Confident	63 Å²	63	76 Å²	76	52%	0.521	39%	0.394	S	S	.	.			trans	53	-4	-177.3	0	0	0	0	0	118.2	C485 K491	C485-A489 WeakPolarHBondContact O-CA 3.47Å; C485-A489 PolarHBondContact O-N 3.34Å; A489-K491 PolarHBondContact O-N 3.34Å
490	K	89.2	Confident	87.7	Confident	134 Å²	134	78.9 Å²	78.9	58%	0.583	41%	0.405	S	S	*	.			trans	-63.3	128.7	-176.1	-72.9	-167.8	176.9	-170.6	0	111.4	C485 C488 F492	C485-K490 PolarHBondContact N-O 2.96Å; C488-K490 PolarHBondContact O-N 3.06Å; K490-F492 HydrophobicContact CB-CE2 3.84Å; K490-F492 HydrophobicContact CB-CZ 4.07Å; K490-F492 WeakPolarHBondContact O-CE2 3.18Å
491	K	90.3	Very high	88.1	Confident	125 Å²	125	76.3 Å²	76.3	54%	0.543	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	150.9	-180	-45.8	-175	-178.2	-179.5	0	111.6	T481 Y483 Q484 A489	T481-K491 HydrophobicContact CG2-CB 4.34Å; T481-K491 WeakPolarHBondContact OG1-CB 3.34Å; Y483-K491 CarbonylContact O-C 3.56Å; Y483-K491 WeakPolarHBondContact O-CA 3.5Å; Q484-K491 HydrophobicContact CB-CG 4.3Å; Q484-K491 HydrophobicContact CG-CG 4.14Å; Q484-K491 VanDerWaalsContact OE1-CE 3.25Å; A489-K491 PolarHBondContact O-N 3.34Å
492	F	87.5	Confident	88.1	Confident	43 Å²	43	80.5 Å²	80.5	19%	0.189	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.1	-176.3	-58.9	-95.1	0	0	0	110.7	T481 Y483 K490 N497 F498 H501	T481-F492 CarbonylContact C-O 3.58Å; T481-F492 VanDerWaalsContact C-O 3.24Å; T481-F492 WeakPolarHBondContact CA-O 3.26Å; Y483-F492 WeakPolarHBondContact CD2-O 3.42Å; Y483-F492 PolarHBondContact N-O 3Å; Y483-F492 PolarHBondContact O-N 3.4Å; K490-F492 HydrophobicContact CB-CE2 3.84Å; K490-F492 HydrophobicContact CB-CZ 4.07Å; K490-F492 WeakPolarHBondContact O-CE2 3.18Å; F492-N497 HydrophobicContact CD1-CB 4.19Å; F492-F498 HydrophobicContact CB-CB 4.13Å; F492-F498 HydrophobicContact CD2-CB 4.22Å; F492-F498 AromaticContact CD2-CD2 3.84Å; F492-F498 HydrophobicContact CD2-CD2 3.84Å; F492-F498 HydrophobicContact CE2-CD2 4.25Å; F492-F498 HydrophobicContact CG-CB 4.22Å; F492-H501 HydrophobicContact CE1-CB 3.98Å; F492-H501 HydrophobicContact CE2-CB 4.1Å; F492-H501 AromaticContact CE2-CD2 3.28Å; F492-H501 WeakPolarHBondContact CE2-CD2 3.33Å; F492-H501 AromaticContact CE2-CG 3.77Å; F492-H501 HydrophobicContact CZ-CB 3.55Å; F492-H501 AromaticContact CZ-CD2 3.32Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.44Å; F492-H501 AromaticContact CZ-CG 3.31Å
493	S	84	Confident	88.3	Confident	29 Å²	29	80.7 Å²	80.7	20%	0.203	39%	0.394	C	S	.	.	S	Bend	trans	-79.3	-20	174.8	54.5	0	0	0	0	113.7	R475 E480	R475-S493 VanDerWaalsContact CD-O 3.27Å; R475-S493 WeakPolarHBondContact CD-O 3.47Å; R475-S493 PolarHBondContact NH1-O 2.73Å; E480-S493 WeakPolarHBondContact O-CB 3.37Å
494	N	85.7	Confident	88.2	Confident	49 Å²	49	80.9 Å²	80.9	26%	0.262	40%	0.403	S	S	.	.			trans	-125.1	126.9	-171.9	-178.8	-13.4	0	0	0	112.2	S496 N497 F498	N494-S496 VanDerWaalsContact C-N 3.3Å; N494-S496 PolarHBondContact O-N 2.84Å; N494-S496 PolarHBondContact OD1-N 2.8Å; N494-N497 HydrophobicContact CB-CB 4.36Å; N494-N497 PolarHBondContact O-N 2.97Å; N494-F498 PolarHBondContact O-N 2.96Å
495	A	85.6	Confident	88.1	Confident	33 Å²	33	79.3 Å²	79.3	27%	0.273	40%	0.396	S	S	.	.	H	α-helix	trans	-58.6	-35.7	-180	0	0	0	0	0	113.7	Y483 F498 R499	Y483-A495 HydrophobicContact CD1-CB 4.42Å; Y483-A495 HydrophobicContact CD2-CB 4.39Å; Y483-A495 HydrophobicContact CE1-CB 3.93Å; Y483-A495 HydrophobicContact CE2-CB 3.9Å; A495-F498 PolarHBondContact O-N 3.25Å; A495-R499 WeakPolarHBondContact O-CB 3.33Å; A495-R499 PolarHBondContact O-N 3.45Å
496	S	86.3	Confident	87.8	Confident	72 Å²	72	82.6 Å²	82.6	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-67.7	-41.2	178.8	-61.1	0	0	0	0	111.4	N494 R499 M500	N494-S496 VanDerWaalsContact C-N 3.3Å; N494-S496 PolarHBondContact O-N 2.84Å; N494-S496 PolarHBondContact OD1-N 2.8Å; S496-R499 PolarHBondContact O-N 3.23Å; S496-M500 VanDerWaalsContact O-CB 3.24Å; S496-M500 WeakPolarHBondContact O-CB 2.97Å; S496-M500 PolarHBondContact O-N 3.44Å
497	N	88.3	Confident	87.1	Confident	73 Å²	73	81.9 Å²	81.9	39%	0.39	41%	0.409	S	S	.	.	H	α-helix	trans	-67.2	-38.9	176.4	-67.8	0.6	0	0	0	110.9	F492 N494 H501	F492-N497 HydrophobicContact CD1-CB 4.19Å; N494-N497 HydrophobicContact CB-CB 4.36Å; N494-N497 PolarHBondContact O-N 2.97Å; N497-H501 WeakPolarHBondContact O-CB 3.45Å; N497-H501 PolarHBondContact O-N 3.14Å
498	F	90.2	Very high	86.5	Confident	42 Å²	42	80.2 Å²	80.2	18%	0.184	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-48.7	173.7	174.4	-122.3	0	0	0	112.7	Y483 Q484 C485 F492 N494 A495 M500 H501 R502	Y483-F498 HydrophobicContact CD1-CD1 4.38Å; Y483-F498 HydrophobicContact CG-CB 4.29Å; Y483-F498 HydrophobicContact CG-CD1 4.33Å; Y483-F498 HydrophobicContact CG-CG 4.46Å; Q484-F498 VanDerWaalsContact O-CE2 3.28Å; Q484-F498 WeakPolarHBondContact O-CE2 3.38Å; Q484-F498 WeakPolarHBondContact O-CZ 3.48Å; C485-F498 HydrophobicContact CB-CE2 3.96Å; F492-F498 HydrophobicContact CB-CB 4.13Å; F492-F498 HydrophobicContact CD2-CB 4.22Å; F492-F498 AromaticContact CD2-CD2 3.84Å; F492-F498 HydrophobicContact CD2-CD2 3.84Å; F492-F498 HydrophobicContact CE2-CD2 4.25Å; F492-F498 HydrophobicContact CG-CB 4.22Å; N494-F498 PolarHBondContact O-N 2.96Å; A495-F498 PolarHBondContact O-N 3.25Å; F498-M500 VanDerWaalsContact C-N 3.31Å; F498-M500 PolarHBondContact O-N 2.71Å; F498-H501 WeakPolarHBondContact O-CB 3.31Å; F498-H501 PolarHBondContact O-N 2.85Å; F498-H501 VanDerWaalsContact O-N 3.11Å; F498-R502 HydrophobicContact CD2-CG 4.41Å; F498-R502 HydrophobicContact CE2-CG 3.98Å; F498-R502 HydrophobicContact CZ-CG 4.07Å; F498-R502 PolarHBondContact O-N 2.88Å
499	R	89	Confident	85.7	Confident	171 Å²	171	81.1 Å²	81.1	65%	0.645	40%	0.398	S	S	*	.	H	α-helix	trans	-59.7	-42.4	177.2	-170.7	-171.4	-60.6	160.3	0.5	111.5	A495 S496 R502	A495-R499 WeakPolarHBondContact O-CB 3.33Å; A495-R499 PolarHBondContact O-N 3.45Å; S496-R499 PolarHBondContact O-N 3.23Å; R499-R502 PolarHBondContact O-N 2.87Å
500	M	87.7	Confident	85.4	Confident	77 Å²	77	82.2 Å²	82.2	38%	0.379	39%	0.392	S	S	.	.	H	α-helix	trans	-62.6	-40.7	173.8	-179.3	-177.5	74.4	0	0	112	S496 F498 R503 Q522	S496-M500 VanDerWaalsContact O-CB 3.24Å; S496-M500 WeakPolarHBondContact O-CB 2.97Å; S496-M500 PolarHBondContact O-N 3.44Å; F498-M500 VanDerWaalsContact C-N 3.31Å; F498-M500 PolarHBondContact O-N 2.71Å; M500-R503 PolarHBondContact O-N 2.88Å; M500-Q522 PolarHBondContact SD-NE2 3.24Å
501	H	90.7	Very high	85.4	Confident	26 Å²	26	77.9 Å²	77.9	12%	0.12	37%	0.374	C	S	.	.	H	α-helix	trans	-66.5	-39.5	176.1	168.9	57.1	0	0	0	113	C488 F492 N497 F498 R503 V504 H505	C488-H501 PolarHBondContact SG-NE2 2.99Å; C488-H501 VanDerWaalsContact SG-NE2 3.37Å; F492-H501 HydrophobicContact CE1-CB 3.98Å; F492-H501 HydrophobicContact CE2-CB 4.1Å; F492-H501 AromaticContact CE2-CD2 3.28Å; F492-H501 WeakPolarHBondContact CE2-CD2 3.33Å; F492-H501 AromaticContact CE2-CG 3.77Å; F492-H501 HydrophobicContact CZ-CB 3.55Å; F492-H501 AromaticContact CZ-CD2 3.32Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.44Å; F492-H501 AromaticContact CZ-CG 3.31Å; N497-H501 WeakPolarHBondContact O-CB 3.45Å; N497-H501 PolarHBondContact O-N 3.14Å; F498-H501 WeakPolarHBondContact O-CB 3.31Å; F498-H501 PolarHBondContact O-N 2.85Å; F498-H501 VanDerWaalsContact O-N 3.11Å; H501-R503 PolarHBondContact O-N 2.82Å; H501-R503 VanDerWaalsContact O-N 3.13Å; H501-V504 VanDerWaalsContact O-CB 3.24Å; H501-V504 WeakPolarHBondContact O-CB 3.49Å; H501-V504 WeakPolarHBondContact O-CG2 3.29Å; H501-V504 PolarHBondContact O-N 3.18Å; H501-H505 AromaticContact CE1-NE2 3.33Å; H501-H505 PolarHBondContact CE1-NE2 2.84Å; H501-H505 VanDerWaalsContact CE1-NE2 3.33Å; H501-H505 AromaticContact NE2-CD2 3.9Å; H501-H505 AromaticContact NE2-NE2 3.2Å; H501-H505 PolarHBondContact NE2-NE2 2.86Å; H501-H505 VanDerWaalsContact NE2-NE2 3.2Å
502	R	88.7	Confident	85.5	Confident	141 Å²	141	78.2 Å²	78.2	53%	0.532	37%	0.372	S	S	.	.	H	α-helix	trans	-55.2	-33.1	177.8	-73.1	-174.3	73.6	-129.1	2.9	112.7	F498 R499 V504 H505 T506	F498-R502 HydrophobicContact CD2-CG 4.41Å; F498-R502 HydrophobicContact CE2-CG 3.98Å; F498-R502 HydrophobicContact CZ-CG 4.07Å; F498-R502 PolarHBondContact O-N 2.88Å; R499-R502 PolarHBondContact O-N 2.87Å; R502-V504 PolarHBondContact O-N 3.05Å; R502-H505 PolarHBondContact O-N 3.1Å; R502-T506 PolarHBondContact O-N 3.49Å
503	R	88.1	Confident	85.8	Confident	76 Å²	76	76.2 Å²	76.2	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-19	175.8	-65	-176	176.3	-164.5	-5.6	114.6	M500 H501 H505 T506 K507 I521	M500-R503 PolarHBondContact O-N 2.88Å; H501-R503 PolarHBondContact O-N 2.82Å; H501-R503 VanDerWaalsContact O-N 3.13Å; R503-H505 VanDerWaalsContact C-N 3.31Å; R503-T506 WeakPolarHBondContact CA-OG1 3.44Å; R503-T506 PolarHBondContact O-OG1 3.48Å; R503-K507 PolarHBondContact O-N 3.35Å; R503-I521 HydrophobicContact CB-CG2 3.48Å; R503-I521 VanDerWaalsContact CB-CG2 3.48Å; R503-I521 HydrophobicContact CG-CG2 4.33Å
504	V	86.5	Confident	86.3	Confident	80 Å²	80	82.8 Å²	82.8	49%	0.485	39%	0.39	S	S	.	.	H	α-helix	trans	-68.6	-34	173.2	-176.8	0	0	0	0	110.8	H501 R502 I521	H501-V504 VanDerWaalsContact O-CB 3.24Å; H501-V504 WeakPolarHBondContact O-CB 3.49Å; H501-V504 WeakPolarHBondContact O-CG2 3.29Å; H501-V504 PolarHBondContact O-N 3.18Å; R502-V504 PolarHBondContact O-N 3.05Å; V504-I521 HydrophobicContact CB-CD1 4.26Å; V504-I521 HydrophobicContact CG2-CD1 3.79Å
505	H	86.9	Confident	86.6	Confident	63 Å²	63	85.3 Å²	85.3	29%	0.292	41%	0.408	S	S	.	.	H	α-helix	trans	-83.4	-38.1	-179.9	-60.9	-58.7	0	0	0	112.7	C485 L487 C488 H501 R502 R503 K507	C485-H505 PolarHBondContact SG-CD2 3.26Å; C485-H505 PolarHBondContact SG-NE2 3.02Å; L487-H505 HydrophobicContact CD1-CB 3.6Å; C488-H505 PolarHBondContact SG-NE2 2.8Å; C488-H505 VanDerWaalsContact SG-NE2 3.41Å; H501-H505 AromaticContact CE1-NE2 3.33Å; H501-H505 PolarHBondContact CE1-NE2 2.84Å; H501-H505 VanDerWaalsContact CE1-NE2 3.33Å; H501-H505 AromaticContact NE2-CD2 3.9Å; H501-H505 AromaticContact NE2-NE2 3.2Å; H501-H505 PolarHBondContact NE2-NE2 2.86Å; H501-H505 VanDerWaalsContact NE2-NE2 3.2Å; R502-H505 PolarHBondContact O-N 3.1Å; R503-H505 VanDerWaalsContact C-N 3.31Å; H505-K507 PolarHBondContact O-N 3.5Å
506	T	83.1	Confident	87.1	Confident	72 Å²	72	86.6 Å²	86.6	44%	0.442	41%	0.414	S	S	.	.	H	α-helix	trans	-70	-16.6	174.7	59.9	0	0	0	0	112.9	R502 R503 E508	R502-T506 PolarHBondContact O-N 3.49Å; R503-T506 WeakPolarHBondContact CA-OG1 3.44Å; R503-T506 PolarHBondContact O-OG1 3.48Å; T506-E508 WeakPolarHBondContact CB-OE2 3.4Å; T506-E508 PolarHBondContact O-N 2.64Å; T506-E508 VanDerWaalsContact OG1-CD 3.24Å; T506-E508 WeakPolarHBondContact OG1-CG 3.35Å; T506-E508 PolarHBondContact OG1-OE2 3.26Å
507	K	74.4	Confident	87.3	Confident	164 Å²	164	85 Å²	85	71%	0.713	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	28.8	-173.3	-59	179	-179.4	174.3	0	113.3	R503 H505 M509	R503-K507 PolarHBondContact O-N 3.35Å; H505-K507 PolarHBondContact O-N 3.5Å; K507-M509 PolarHBondContact O-N 2.62Å
508	E	75.7	Confident	87.6	Confident	100 Å²	100	87.8 Å²	87.8	47%	0.467	42%	0.418	S	S	.	.			trans	-70.2	78.8	176.7	-72.1	164.4	134.5	0	0	111.1	T506 Q510	T506-E508 WeakPolarHBondContact CB-OE2 3.4Å; T506-E508 PolarHBondContact O-N 2.64Å; T506-E508 VanDerWaalsContact OG1-CD 3.24Å; T506-E508 WeakPolarHBondContact OG1-CG 3.35Å; T506-E508 PolarHBondContact OG1-OE2 3.26Å; E508-Q510 VanDerWaalsContact C-N 3.35Å; E508-Q510 PolarHBondContact O-N 2.95Å
509	M	74.9	Confident	87.6	Confident	70 Å²	70	89.6 Å²	89.6	35%	0.345	43%	0.427	S	S	.	.			trans	-77.6	80.4	178	-71	-61.4	170	0	0	111	K507 F511 E519 F520 I521	K507-M509 PolarHBondContact O-N 2.62Å; M509-F511 PolarHBondContact O-N 3.31Å; M509-E519 HydrophobicContact CB-CB 3.83Å; M509-E519 HydrophobicContact CB-CG 4.23Å; M509-E519 HydrophobicContact CG-CB 3.78Å; M509-E519 HydrophobicContact SD-CB 3.98Å; M509-F520 VanDerWaalsContact SD-C 3.6Å; M509-I521 HydrophobicContact CE-CD1 4.03Å; M509-I521 HydrophobicContact CE-CG1 3.7Å; M509-I521 HydrophobicContact SD-CG1 3.57Å; M509-I521 VanDerWaalsContact SD-CG1 3.57Å
510	Q	81.1	Confident	87.7	Confident	86 Å²	86	83.4 Å²	83.4	40%	0.402	40%	0.404	S	S	.	.			trans	-67.8	-14.5	-176.4	-67.6	-176.2	-29.5	0	0	114.4	E508 F520	E508-Q510 VanDerWaalsContact C-N 3.35Å; E508-Q510 PolarHBondContact O-N 2.95Å; Q510-F520 PolarHBondContact N-O 2.82Å
511	F	89.1	Confident	87.7	Confident	44 Å²	44	81.1 Å²	81.1	19%	0.193	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	106	-174.1	-54.7	-82.1	0	0	0	112.1	M509 E519 F520 P523 Y526	M509-F511 PolarHBondContact O-N 3.31Å; F511-E519 CarbonylContact O-C 3.55Å; F511-E519 WeakPolarHBondContact O-CA 3.33Å; F511-F520 HydrophobicContact CB-CB 4.33Å; F511-F520 PolarHBondContact N-O 2.69Å; F511-F520 VanDerWaalsContact N-O 3.12Å; F511-F520 PolarHBondContact O-N 3.46Å; F511-P523 HydrophobicContact CE1-CB 4.1Å; F511-P523 HydrophobicContact CE1-CG 4.25Å; F511-P523 HydrophobicContact CE2-CB 4.16Å; F511-P523 HydrophobicContact CE2-CG 3.71Å; F511-P523 HydrophobicContact CZ-CB 3.9Å; F511-P523 HydrophobicContact CZ-CG 3.55Å; F511-Y526 HydrophobicContact CB-CD1 4.06Å; F511-Y526 HydrophobicContact CB-CD2 4.1Å; F511-Y526 HydrophobicContact CB-CG 3.71Å; F511-Y526 HydrophobicContact CD1-CD1 4.23Å; F511-Y526 HydrophobicContact CG-CD1 4.46Å; F511-Y526 HydrophobicContact CG-CG 4.43Å
512	R	91.7	Very high	87.5	Confident	132 Å²	132	82.7 Å²	82.7	50%	0.498	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.7	175.6	-178.8	176.5	-80.1	-137.2	0.3	111.5	E519 Y526	R512-E519 HydrophobicContact CB-CG 4.11Å; R512-E519 HydrophobicContact CG-CG 4.09Å; R512-E519 IonicContact CZ-OE1 3.15Å; R512-E519 IonicContact NE-OE1 2.79Å; R512-E519 PolarHBondContact NE-OE1 2.97Å; R512-E519 IonicContact NH2-OE1 2.68Å; R512-E519 PolarHBondContact NH2-OE1 2.75Å; R512-E519 IonicContact NH2-OE2 3.87Å; R512-Y526 WeakPolarHBondContact O-CE2 3.32Å; R512-Y526 PolarHBondContact O-OH 2.88Å
513	C	94.6	Very high	87.5	Confident	0 Å²	0	78 Å²	78	0%	0	39%	0.388	C	S	.	.			trans	-83.2	117.9	171.2	-175.5	0	0	0	0	110.9	T515 G517 K518 Y526 H529 H533	C513-T515 VanDerWaalsContact C-N 3.27Å; C513-T515 PolarHBondContact O-N 2.82Å; C513-G517 VanDerWaalsContact O-CA 3.23Å; C513-G517 WeakPolarHBondContact O-CA 3.35Å; C513-G517 PolarHBondContact O-N 3.17Å; C513-K518 WeakPolarHBondContact CB-O 3.41Å; C513-K518 PolarHBondContact N-O 3Å; C513-Y526 HydrophobicContact CB-CE2 4Å; C513-H529 WeakPolarHBondContact CB-NE2 3.29Å; C513-H529 PolarHBondContact SG-NE2 2.94Å; C513-H529 VanDerWaalsContact SG-NE2 3.43Å; C513-H533 VanDerWaalsContact SG-CD2 3.53Å; C513-H533 PolarHBondContact SG-NE2 3.25Å
514	Q	93	Very high	87.6	Confident	167 Å²	167	77.8 Å²	77.8	78%	0.78	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.7	178.8	-53.6	-59.7	0.1	0	0	112.6	C516	Q514-C516 PolarHBondContact O-N 2.95Å
515	T	92.9	Very high	87.9	Confident	103 Å²	103	75.9 Å²	75.9	63%	0.632	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-22.3	-177.3	-40.3	0	0	0	0	114	C513 H533	C513-T515 VanDerWaalsContact C-N 3.27Å; C513-T515 PolarHBondContact O-N 2.82Å; T515-H533 HydrophobicContact CG2-CB 4.37Å
516	C	95.6	Very high	88.2	Confident	60 Å²	60	75.3 Å²	75.3	41%	0.405	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	15.6	-178.7	69.6	0	0	0	0	115.5	Q514 K518 H529 H533	Q514-C516 PolarHBondContact O-N 2.95Å; C516-K518 PolarHBondContact O-N 3.08Å; C516-H529 PolarHBondContact SG-NE2 3.36Å; C516-H533 VanDerWaalsContact SG-CE1 3.59Å; C516-H533 PolarHBondContact SG-NE2 3.31Å; C516-H533 VanDerWaalsContact SG-NE2 3.39Å
517	G	91.9	Very high	88.6	Confident	38 Å²	38	74.9 Å²	74.9	39%	0.392	38%	0.381	S	S	.	.			trans	67.8	-9.6	179	0	0	0	0	0	116.3	C513	C513-G517 VanDerWaalsContact O-CA 3.23Å; C513-G517 WeakPolarHBondContact O-CA 3.35Å; C513-G517 PolarHBondContact O-N 3.17Å
518	K	92.7	Very high	89.4	Confident	132 Å²	132	73.6 Å²	73.6	57%	0.574	37%	0.372	S	S	*	.			trans	-65.5	141.3	-173.6	-72.8	-165.7	175	-172.3	0	113	C513 C516 F520	C513-K518 WeakPolarHBondContact CB-O 3.41Å; C513-K518 PolarHBondContact N-O 3Å; C516-K518 PolarHBondContact O-N 3.08Å; K518-F520 HydrophobicContact CB-CE2 3.93Å; K518-F520 HydrophobicContact CB-CZ 4.09Å; K518-F520 WeakPolarHBondContact O-CE2 3.32Å
519	E	91.4	Very high	90.3	Very high	80 Å²	80	69.7 Å²	69.7	37%	0.374	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.6	-169.9	-75.5	-167.9	148.6	0	0	113.5	M509 F511 R512	M509-E519 HydrophobicContact CB-CB 3.83Å; M509-E519 HydrophobicContact CB-CG 4.23Å; M509-E519 HydrophobicContact CG-CB 3.78Å; M509-E519 HydrophobicContact SD-CB 3.98Å; F511-E519 CarbonylContact O-C 3.55Å; F511-E519 WeakPolarHBondContact O-CA 3.33Å; R512-E519 HydrophobicContact CB-CG 4.11Å; R512-E519 HydrophobicContact CG-CG 4.09Å; R512-E519 IonicContact CZ-OE1 3.15Å; R512-E519 IonicContact NE-OE1 2.79Å; R512-E519 PolarHBondContact NE-OE1 2.97Å; R512-E519 IonicContact NH2-OE1 2.68Å; R512-E519 PolarHBondContact NH2-OE1 2.75Å; R512-E519 IonicContact NH2-OE2 3.87Å
520	F	90.9	Very high	91.1	Very high	41 Å²	41	68.9 Å²	68.9	18%	0.18	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138.3	-173	-55.9	-89.3	0	0	0	112	M509 Q510 F511 K518 N525 Y526 H529	M509-F520 VanDerWaalsContact SD-C 3.6Å; Q510-F520 PolarHBondContact N-O 2.82Å; F511-F520 HydrophobicContact CB-CB 4.33Å; F511-F520 PolarHBondContact N-O 2.69Å; F511-F520 VanDerWaalsContact N-O 3.12Å; F511-F520 PolarHBondContact O-N 3.46Å; K518-F520 HydrophobicContact CB-CE2 3.93Å; K518-F520 HydrophobicContact CB-CZ 4.09Å; K518-F520 WeakPolarHBondContact O-CE2 3.32Å; F520-N525 HydrophobicContact CD1-CB 3.97Å; F520-Y526 AromaticContact CD2-CD2 3.81Å; F520-Y526 HydrophobicContact CD2-CD2 3.81Å; F520-Y526 HydrophobicContact CE2-CD2 4.29Å; F520-H529 HydrophobicContact CE1-CB 3.89Å; F520-H529 HydrophobicContact CE2-CB 3.98Å; F520-H529 AromaticContact CE2-CD2 3.3Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.16Å; F520-H529 AromaticContact CE2-CG 3.63Å; F520-H529 AromaticContact CE2-NE2 3.98Å; F520-H529 HydrophobicContact CZ-CB 3.47Å; F520-H529 VanDerWaalsContact CZ-CB 3.47Å; F520-H529 AromaticContact CZ-CD2 3.43Å; F520-H529 VanDerWaalsContact CZ-CD2 3.43Å; F520-H529 WeakPolarHBondContact CZ-CD2 3.19Å; F520-H529 AromaticContact CZ-CG 3.25Å; F520-H529 AromaticContact CZ-ND1 3.81Å
521	I	87.6	Confident	91.6	Very high	28 Å²	28	68.4 Å²	68.4	14%	0.144	35%	0.345	C	S	.	.	S	Bend	trans	-76.8	-26.2	176.2	-59.2	172.9	0	0	0	112.2	R503 V504 M509	R503-I521 HydrophobicContact CB-CG2 3.48Å; R503-I521 VanDerWaalsContact CB-CG2 3.48Å; R503-I521 HydrophobicContact CG-CG2 4.33Å; V504-I521 HydrophobicContact CB-CD1 4.26Å; V504-I521 HydrophobicContact CG2-CD1 3.79Å; M509-I521 HydrophobicContact CE-CD1 4.03Å; M509-I521 HydrophobicContact CE-CG1 3.7Å; M509-I521 HydrophobicContact SD-CG1 3.57Å; M509-I521 VanDerWaalsContact SD-CG1 3.57Å
522	Q	87.5	Confident	91.8	Very high	60 Å²	60	70.1 Å²	70.1	28%	0.28	36%	0.356	S	S	.	.	S	Bend	trans	-120.5	137.1	-172.6	-60.4	-173.6	-91.5	0	0	111.8	M500 S524 N525 Y526	M500-Q522 PolarHBondContact SD-NE2 3.24Å; Q522-S524 VanDerWaalsContact C-N 3.29Å; Q522-S524 PolarHBondContact O-N 3.23Å; Q522-N525 HydrophobicContact CB-CB 4.25Å; Q522-N525 PolarHBondContact O-N 3.26Å; Q522-N525 VanDerWaalsContact O-N 3.16Å; Q522-N525 PolarHBondContact OE1-ND2 3.05Å; Q522-Y526 PolarHBondContact O-N 3.23Å; Q522-Y526 VanDerWaalsContact O-N 3.12Å
523	P	88.4	Confident	91.9	Very high	42 Å²	42	66.9 Å²	66.9	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-39.1	175.6	-3.8	9.6	0	0	0	111.7	F268 F511 N525 Y526 S527	F268-P523 HydrophobicContact CE2-CB 4.32Å; F268-P523 HydrophobicContact CE2-CG 3.99Å; F268-P523 HydrophobicContact CZ-CB 4.26Å; F268-P523 HydrophobicContact CZ-CG 3.79Å; F511-P523 HydrophobicContact CE1-CB 4.1Å; F511-P523 HydrophobicContact CE1-CG 4.25Å; F511-P523 HydrophobicContact CE2-CB 4.16Å; F511-P523 HydrophobicContact CE2-CG 3.71Å; F511-P523 HydrophobicContact CZ-CB 3.9Å; F511-P523 HydrophobicContact CZ-CG 3.55Å; P523-N525 VanDerWaalsContact C-N 3.3Å; P523-N525 PolarHBondContact O-N 3.13Å; P523-Y526 WeakPolarHBondContact O-CB 3.23Å; P523-Y526 PolarHBondContact O-N 3.45Å; P523-Y526 VanDerWaalsContact O-N 3.13Å; P523-S527 PolarHBondContact O-N 3.07Å; P523-S527 PolarHBondContact O-OG 2.82Å; P523-S527 VanDerWaalsContact O-OG 3.13Å
524	S	89.9	Confident	91.6	Very high	71 Å²	71	70.5 Å²	70.5	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-32.8	178.2	55	0	0	0	0	113.7	Q522 R528	Q522-S524 VanDerWaalsContact C-N 3.29Å; Q522-S524 PolarHBondContact O-N 3.23Å; S524-R528 WeakPolarHBondContact O-CB 3.43Å; S524-R528 PolarHBondContact O-N 3.11Å
525	N	91.7	Very high	91.3	Very high	41 Å²	41	70.4 Å²	70.4	22%	0.219	37%	0.365	C	S	.	.	H	α-helix	trans	-74.6	-38.9	173.8	-70.4	-29.2	0	0	0	111.2	F520 Q522 P523 R528 H529	F520-N525 HydrophobicContact CD1-CB 3.97Å; Q522-N525 HydrophobicContact CB-CB 4.25Å; Q522-N525 PolarHBondContact O-N 3.26Å; Q522-N525 VanDerWaalsContact O-N 3.16Å; Q522-N525 PolarHBondContact OE1-ND2 3.05Å; P523-N525 VanDerWaalsContact C-N 3.3Å; P523-N525 PolarHBondContact O-N 3.13Å; N525-R528 PolarHBondContact O-N 2.93Å; N525-R528 PolarHBondContact OD1-NH2 2.86Å; N525-H529 WeakPolarHBondContact O-CB 3.39Å; N525-H529 PolarHBondContact O-N 2.8Å
526	Y	93.6	Very high	91	Very high	50 Å²	50	71.1 Å²	71.1	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-62.4	-54.3	175	177.7	-118.9	0	0	0	112.2	F511 R512 C513 F520 Q522 P523 R528 H529 L530	F511-Y526 HydrophobicContact CB-CD1 4.06Å; F511-Y526 HydrophobicContact CB-CD2 4.1Å; F511-Y526 HydrophobicContact CB-CG 3.71Å; F511-Y526 HydrophobicContact CD1-CD1 4.23Å; F511-Y526 HydrophobicContact CG-CD1 4.46Å; F511-Y526 HydrophobicContact CG-CG 4.43Å; R512-Y526 WeakPolarHBondContact O-CE2 3.32Å; R512-Y526 PolarHBondContact O-OH 2.88Å; C513-Y526 HydrophobicContact CB-CE2 4Å; F520-Y526 AromaticContact CD2-CD2 3.81Å; F520-Y526 HydrophobicContact CD2-CD2 3.81Å; F520-Y526 HydrophobicContact CE2-CD2 4.29Å; Q522-Y526 PolarHBondContact O-N 3.23Å; Q522-Y526 VanDerWaalsContact O-N 3.12Å; P523-Y526 WeakPolarHBondContact O-CB 3.23Å; P523-Y526 PolarHBondContact O-N 3.45Å; P523-Y526 VanDerWaalsContact O-N 3.13Å; Y526-R528 PolarHBondContact O-N 3.11Å; Y526-H529 WeakPolarHBondContact O-CA 3.23Å; Y526-H529 WeakPolarHBondContact O-CB 2.97Å; Y526-H529 PolarHBondContact O-N 3.46Å; Y526-L530 HydrophobicContact CD1-CD1 4.29Å; Y526-L530 HydrophobicContact CD2-CG 4.46Å; Y526-L530 HydrophobicContact CE1-CD1 3.79Å; Y526-L530 HydrophobicContact CE1-CG 4.37Å; Y526-L530 HydrophobicContact CE2-CD1 4.4Å; Y526-L530 HydrophobicContact CE2-CD2 3.9Å; Y526-L530 HydrophobicContact CE2-CG 4.15Å; Y526-L530 PolarHBondContact O-N 3.24Å
527	S	92	Very high	90.8	Very high	64 Å²	64	74 Å²	74	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-31.9	177.4	-51.3	0	0	0	0	112.7	P523	P523-S527 PolarHBondContact O-N 3.07Å; P523-S527 PolarHBondContact O-OG 2.82Å; P523-S527 VanDerWaalsContact O-OG 3.13Å
528	R	91.7	Very high	90.8	Very high	136 Å²	136	75.7 Å²	75.7	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-69.1	-37	171.3	176.7	167.4	58.2	163.2	-3.3	112.3	S524 N525 Y526 Y550	S524-R528 WeakPolarHBondContact O-CB 3.43Å; S524-R528 PolarHBondContact O-N 3.11Å; N525-R528 PolarHBondContact O-N 2.93Å; N525-R528 PolarHBondContact OD1-NH2 2.86Å; Y526-R528 PolarHBondContact O-N 3.11Å; R528-Y550 HydrophobicContact CG-CD1 4.07Å; R528-Y550 HydrophobicContact CG-CE1 3.69Å
529	H	93.6	Very high	90.9	Very high	18 Å²	18	72.5 Å²	72.5	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-69.3	-40.5	176.6	164.3	63.7	0	0	0	112.6	C513 C516 F520 N525 Y526 R531 I532 H533	C513-H529 WeakPolarHBondContact CB-NE2 3.29Å; C513-H529 PolarHBondContact SG-NE2 2.94Å; C513-H529 VanDerWaalsContact SG-NE2 3.43Å; C516-H529 PolarHBondContact SG-NE2 3.36Å; F520-H529 HydrophobicContact CE1-CB 3.89Å; F520-H529 HydrophobicContact CE2-CB 3.98Å; F520-H529 AromaticContact CE2-CD2 3.3Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.16Å; F520-H529 AromaticContact CE2-CG 3.63Å; F520-H529 AromaticContact CE2-NE2 3.98Å; F520-H529 HydrophobicContact CZ-CB 3.47Å; F520-H529 VanDerWaalsContact CZ-CB 3.47Å; F520-H529 AromaticContact CZ-CD2 3.43Å; F520-H529 VanDerWaalsContact CZ-CD2 3.43Å; F520-H529 WeakPolarHBondContact CZ-CD2 3.19Å; F520-H529 AromaticContact CZ-CG 3.25Å; F520-H529 AromaticContact CZ-ND1 3.81Å; N525-H529 WeakPolarHBondContact O-CB 3.39Å; N525-H529 PolarHBondContact O-N 2.8Å; Y526-H529 WeakPolarHBondContact O-CA 3.23Å; Y526-H529 WeakPolarHBondContact O-CB 2.97Å; Y526-H529 PolarHBondContact O-N 3.46Å; H529-R531 PolarHBondContact O-N 3.12Å; H529-R531 VanDerWaalsContact O-N 3.07Å; H529-I532 VanDerWaalsContact O-CB 3.3Å; H529-I532 WeakPolarHBondContact O-CB 3.39Å; H529-I532 WeakPolarHBondContact O-CG1 3.41Å; H529-I532 PolarHBondContact O-N 2.78Å; H529-H533 AromaticContact CE1-NE2 3.44Å; H529-H533 PolarHBondContact CE1-NE2 2.83Å; H529-H533 AromaticContact NE2-CD2 3.88Å; H529-H533 AromaticContact NE2-NE2 3.22Å; H529-H533 PolarHBondContact NE2-NE2 3.23Å
530	L	92.1	Very high	91	Very high	53 Å²	53	71.9 Å²	71.9	28%	0.277	36%	0.36	S	S	.	.	H	α-helix	trans	-55.7	-28.6	-179.6	-70.5	-179.6	0	0	0	113.5	Y526 I532 H533 T534	Y526-L530 HydrophobicContact CD1-CD1 4.29Å; Y526-L530 HydrophobicContact CD2-CG 4.46Å; Y526-L530 HydrophobicContact CE1-CD1 3.79Å; Y526-L530 HydrophobicContact CE1-CG 4.37Å; Y526-L530 HydrophobicContact CE2-CD1 4.4Å; Y526-L530 HydrophobicContact CE2-CD2 3.9Å; Y526-L530 HydrophobicContact CE2-CG 4.15Å; Y526-L530 PolarHBondContact O-N 3.24Å; L530-I532 PolarHBondContact O-N 3.12Å; L530-I532 VanDerWaalsContact O-N 3.15Å; L530-H533 WeakPolarHBondContact O-CB 3.34Å; L530-H533 PolarHBondContact O-N 3.03Å; L530-T534 PolarHBondContact O-N 3.06Å; L530-T534 VanDerWaalsContact O-N 3.08Å
531	R	92.1	Very high	91.1	Very high	76 Å²	76	70.4 Å²	70.4	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-58.6	-24	174.1	-61.1	-177.1	-177.6	-178.9	-1.2	114	H529 H533 T534 K535 Y539 L549	H529-R531 PolarHBondContact O-N 3.12Å; H529-R531 VanDerWaalsContact O-N 3.07Å; R531-H533 VanDerWaalsContact C-N 3.28Å; R531-T534 WeakPolarHBondContact CA-OG1 3.48Å; R531-K535 VanDerWaalsContact O-CA 3.31Å; R531-K535 WeakPolarHBondContact O-CA 3.23Å; R531-K535 PolarHBondContact O-N 2.82Å; R531-Y539 VanDerWaalsContact NH1-CE2 3.3Å; R531-Y539 PolarHBondContact NH1-OH 3.49Å; R531-L549 HydrophobicContact CB-CD2 4Å; R531-L549 WeakPolarHBondContact O-CD2 3.47Å
532	I	92.8	Very high	91.2	Very high	81 Å²	81	75 Å²	75	42%	0.415	38%	0.38	S	S	.	.	H	α-helix	trans	-65.1	-36.5	173.6	-64	164.8	0	0	0	110.3	H529 L530 Y550	H529-I532 VanDerWaalsContact O-CB 3.3Å; H529-I532 WeakPolarHBondContact O-CB 3.39Å; H529-I532 WeakPolarHBondContact O-CG1 3.41Å; H529-I532 PolarHBondContact O-N 2.78Å; L530-I532 PolarHBondContact O-N 3.12Å; L530-I532 VanDerWaalsContact O-N 3.15Å; I532-Y550 WeakPolarHBondContact CD1-OH 3.34Å; I532-Y550 WeakPolarHBondContact CG1-OH 3.39Å
533	H	92.9	Very high	91.2	Very high	63 Å²	63	76.7 Å²	76.7	29%	0.292	39%	0.391	S	S	.	.	H	α-helix	trans	-83.4	-42.7	-179.2	-57.9	-56.8	0	0	0	112.2	C513 T515 C516 H529 L530 R531 K535	C513-H533 VanDerWaalsContact SG-CD2 3.53Å; C513-H533 PolarHBondContact SG-NE2 3.25Å; T515-H533 HydrophobicContact CG2-CB 4.37Å; C516-H533 VanDerWaalsContact SG-CE1 3.59Å; C516-H533 PolarHBondContact SG-NE2 3.31Å; C516-H533 VanDerWaalsContact SG-NE2 3.39Å; H529-H533 AromaticContact CE1-NE2 3.44Å; H529-H533 PolarHBondContact CE1-NE2 2.83Å; H529-H533 AromaticContact NE2-CD2 3.88Å; H529-H533 AromaticContact NE2-NE2 3.22Å; H529-H533 PolarHBondContact NE2-NE2 3.23Å; L530-H533 WeakPolarHBondContact O-CB 3.34Å; L530-H533 PolarHBondContact O-N 3.03Å; R531-H533 VanDerWaalsContact C-N 3.28Å; H533-K535 PolarHBondContact O-N 3.3Å
534	T	90	Very high	91.3	Very high	77 Å²	77	77.1 Å²	77.1	47%	0.472	39%	0.394	S	S	.	.	H	α-helix	trans	-69.9	-18.8	174.2	68.8	0	0	0	0	112.7	L530 R531 E536	L530-T534 PolarHBondContact O-N 3.06Å; L530-T534 VanDerWaalsContact O-N 3.08Å; R531-T534 WeakPolarHBondContact CA-OG1 3.48Å; T534-E536 VanDerWaalsContact CB-OE2 3.25Å; T534-E536 WeakPolarHBondContact CB-OE2 3.27Å; T534-E536 PolarHBondContact O-N 3.42Å; T534-E536 VanDerWaalsContact O-N 3.09Å; T534-E536 WeakPolarHBondContact OG1-CG 3.45Å; T534-E536 PolarHBondContact OG1-N 3.44Å; T534-E536 PolarHBondContact OG1-OE2 3.28Å
535	K	85.9	Confident	91.4	Very high	165 Å²	165	79.5 Å²	79.5	72%	0.717	41%	0.41	S	S	*	.			trans	58.2	12.1	-174.2	-59.3	175.6	-177.4	171.7	0	114.1	R531 H533 K537	R531-K535 VanDerWaalsContact O-CA 3.31Å; R531-K535 WeakPolarHBondContact O-CA 3.23Å; R531-K535 PolarHBondContact O-N 2.82Å; H533-K535 PolarHBondContact O-N 3.3Å; K535-K537 PolarHBondContact O-N 3.49Å
536	E	87.5	Confident	91.5	Very high	117 Å²	117	79 Å²	79	55%	0.547	41%	0.412	S	S	.	.			trans	-64.3	130.8	-179.3	-69.6	168.1	120.1	0	0	111.3	T534 P538 L549	T534-E536 VanDerWaalsContact CB-OE2 3.25Å; T534-E536 WeakPolarHBondContact CB-OE2 3.27Å; T534-E536 PolarHBondContact O-N 3.42Å; T534-E536 VanDerWaalsContact O-N 3.09Å; T534-E536 WeakPolarHBondContact OG1-CG 3.45Å; T534-E536 PolarHBondContact OG1-N 3.44Å; T534-E536 PolarHBondContact OG1-OE2 3.28Å; E536-P538 VanDerWaalsContact C-CD 3.41Å; E536-P538 WeakPolarHBondContact O-CD 3.4Å; E536-L549 VanDerWaalsContact O-CD2 3.32Å; E536-L549 WeakPolarHBondContact O-CD2 3.48Å
537	K	91.4	Very high	91.5	Very high	120 Å²	120	82.9 Å²	82.9	52%	0.522	43%	0.43	S	S	.	.			trans	-115.1	73.5	-176.9	-73	166.4	166.8	-169.6	0	110.5	K535 Y539 K547 F548 L549	K535-K537 PolarHBondContact O-N 3.49Å; K537-Y539 PolarHBondContact O-N 3.37Å; K537-K547 HydrophobicContact CB-CB 3.71Å; K537-K547 HydrophobicContact CD-CB 4.25Å; K537-K547 WeakPolarHBondContact CD-O 3.45Å; K537-F548 CarbonylContact C-O 3.5Å; K537-F548 VanDerWaalsContact C-O 3.3Å; K537-F548 VanDerWaalsContact CA-O 3.29Å; K537-F548 WeakPolarHBondContact CA-O 3.43Å; K537-L549 HydrophobicContact CG-CG 4.24Å
538	P	90.8	Very high	91.6	Very high	75 Å²	75	81.8 Å²	81.8	49%	0.487	42%	0.417	S	S	.	.			trans	-71.4	-11.1	-172.5	29.4	-36.5	0	0	0	114.1	E536	E536-P538 VanDerWaalsContact C-CD 3.41Å; E536-P538 WeakPolarHBondContact O-CD 3.4Å
539	Y	94	Very high	91.7	Very high	64 Å²	64	77.6 Å²	77.6	25%	0.251	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	93.9	179.1	-53.4	-73.1	0	0	0	110.2	R531 K537 F548 L549 S551	R531-Y539 VanDerWaalsContact NH1-CE2 3.3Å; R531-Y539 PolarHBondContact NH1-OH 3.49Å; K537-Y539 PolarHBondContact O-N 3.37Å; Y539-F548 PolarHBondContact N-O 3.39Å; Y539-F548 WeakPolarHBondContact O-CD2 3.41Å; Y539-F548 PolarHBondContact O-N 3.18Å; Y539-L549 WeakPolarHBondContact CE2-O 3.25Å; Y539-S551 VanDerWaalsContact CD2-N 3.27Å
540	S	93.9	Very high	91.6	Very high	67 Å²	67	79.9 Å²	79.9	47%	0.469	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146.5	170.4	48.3	0	0	0	0	111.8	L554	S540-L554 WeakPolarHBondContact O-CD2 3.09Å
541	C	92.7	Very high	91.6	Very high	11 Å²	11	80.4 Å²	80.4	7%	0.074	42%	0.421	C	S	.	.			trans	-70.9	149.1	160.7	-165.1	0	0	0	0	110	L543 C544 A546 L554	C541-L543 PolarHBondContact SG-N 3.2Å; C541-L543 VanDerWaalsContact SG-N 3.4Å; C541-C544 WeakPolarHBondContact CB-O 3.3Å; C541-A546 PolarHBondContact N-O 2.9Å; C541-L554 HydrophobicContact CB-CD1 3.81Å
542	N	90.2	Very high	91.5	Very high	125 Å²	125	81.6 Å²	81.6	67%	0.668	44%	0.437	S	S	*	.	S	Bend	trans	-93.6	-9.6	173.6	62.1	-45	0	0	0	112.9	Q558	N542-Q558 PolarHBondContact OD1-NE2 3.31Å; N542-Q558 VanDerWaalsContact OD1-NE2 3.1Å
543	L	87.8	Confident	91.5	Very high	95 Å²	95	79 Å²	79	50%	0.497	43%	0.427	S	S	.	.	S	Bend	trans	-111	-7.9	-177.9	-60.4	177.9	0	0	0	113.3	C541 H562 L564	C541-L543 PolarHBondContact SG-N 3.2Å; C541-L543 VanDerWaalsContact SG-N 3.4Å; L543-H562 HydrophobicContact CD1-CB 3.76Å; L543-L564 HydrophobicContact CD1-CD1 3.88Å
544	C	91.6	Very high	91.5	Very high	50 Å²	50	77.1 Å²	77.1	34%	0.338	42%	0.418	S	S	.	.	S	Bend	trans	-159.5	169.7	169.3	70.7	0	0	0	0	111	C541 A546 H557	C541-C544 WeakPolarHBondContact CB-O 3.3Å; C544-A546 PolarHBondContact O-N 2.78Å; C544-H557 VanDerWaalsContact SG-CE1 3.5Å; C544-H557 PolarHBondContact SG-NE2 2.96Å
545	S	91.2	Very high	91.4	Very high	121 Å²	121	78.1 Å²	78.1	85%	0.846	42%	0.416	S	S	*	.	S	Bend	trans	-69.8	3.7	-175.6	-41.2	0	0	0	0	115.6
546	A	93.2	Very high	91.5	Very high	31 Å²	31	76.8 Å²	76.8	26%	0.256	41%	0.407	S	S	.	.			trans	-70.7	135.7	-174.6	0	0	0	0	0	112.6	C541 C544 F548	C541-A546 PolarHBondContact N-O 2.9Å; C544-A546 PolarHBondContact O-N 2.78Å; A546-F548 HydrophobicContact CB-CE2 3.68Å; A546-F548 HydrophobicContact CB-CZ 3.67Å
547	K	95	Very high	91.6	Very high	131 Å²	131	72.1 Å²	72.1	57%	0.57	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.4	-180	-57	-173.3	179.9	179.8	0	112.1	K537	K537-K547 HydrophobicContact CB-CB 3.71Å; K537-K547 HydrophobicContact CD-CB 4.25Å; K537-K547 WeakPolarHBondContact CD-O 3.45Å
548	F	93.9	Very high	91.4	Very high	41 Å²	41	68.1 Å²	68.1	18%	0.18	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.7	-169.5	-56.5	-83.9	0	0	0	113.3	K537 Y539 A546 Y550 L554 H557	K537-F548 CarbonylContact C-O 3.5Å; K537-F548 VanDerWaalsContact C-O 3.3Å; K537-F548 VanDerWaalsContact CA-O 3.29Å; K537-F548 WeakPolarHBondContact CA-O 3.43Å; Y539-F548 PolarHBondContact N-O 3.39Å; Y539-F548 WeakPolarHBondContact O-CD2 3.41Å; Y539-F548 PolarHBondContact O-N 3.18Å; A546-F548 HydrophobicContact CB-CE2 3.68Å; A546-F548 HydrophobicContact CB-CZ 3.67Å; F548-Y550 VanDerWaalsContact C-N 3.35Å; F548-L554 HydrophobicContact CB-CB 4.3Å; F548-L554 HydrophobicContact CD2-CB 3.8Å; F548-L554 HydrophobicContact CD2-CD1 3.89Å; F548-L554 HydrophobicContact CD2-CG 4.44Å; F548-L554 HydrophobicContact CE2-CD1 4Å; F548-L554 HydrophobicContact CG-CB 4.21Å; F548-H557 HydrophobicContact CE1-CB 3.84Å; F548-H557 HydrophobicContact CE2-CB 3.97Å; F548-H557 AromaticContact CE2-CD2 3.45Å; F548-H557 VanDerWaalsContact CE2-CD2 3.45Å; F548-H557 WeakPolarHBondContact CE2-CD2 3.43Å; F548-H557 AromaticContact CE2-CG 3.7Å; F548-H557 HydrophobicContact CZ-CB 3.41Å; F548-H557 VanDerWaalsContact CZ-CB 3.41Å; F548-H557 AromaticContact CZ-CD2 3.49Å; F548-H557 VanDerWaalsContact CZ-CD2 3.49Å; F548-H557 WeakPolarHBondContact CZ-CD2 3.15Å; F548-H557 AromaticContact CZ-CG 3.23Å; F548-H557 AromaticContact CZ-ND1 3.69Å
549	L	92.3	Very high	91.1	Very high	49 Å²	49	65.9 Å²	65.9	26%	0.257	35%	0.351	S	S	.	.	S	Bend	trans	-68.5	-31.2	175.1	-77.3	152.9	0	0	0	113	R531 E536 K537 Y539	R531-L549 HydrophobicContact CB-CD2 4Å; R531-L549 WeakPolarHBondContact O-CD2 3.47Å; E536-L549 VanDerWaalsContact O-CD2 3.32Å; E536-L549 WeakPolarHBondContact O-CD2 3.48Å; K537-L549 HydrophobicContact CG-CG 4.24Å; Y539-L549 WeakPolarHBondContact CE2-O 3.25Å
550	Y	93.3	Very high	90.5	Very high	66 Å²	66	70.5 Å²	70.5	26%	0.259	37%	0.368	S	S	.	.	S	Bend	trans	-134.3	141.5	-172.6	-48.9	-54.1	0	0	0	111.8	R528 I532 F548 T552 S553 L554	R528-Y550 HydrophobicContact CG-CD1 4.07Å; R528-Y550 HydrophobicContact CG-CE1 3.69Å; I532-Y550 WeakPolarHBondContact CD1-OH 3.34Å; I532-Y550 WeakPolarHBondContact CG1-OH 3.39Å; F548-Y550 VanDerWaalsContact C-N 3.35Å; Y550-T552 VanDerWaalsContact C-N 3.27Å; Y550-T552 PolarHBondContact O-N 3.39Å; Y550-S553 WeakPolarHBondContact O-CA 3.17Å; Y550-S553 WeakPolarHBondContact O-CB 3.43Å; Y550-S553 PolarHBondContact O-N 2.86Å; Y550-L554 PolarHBondContact O-N 3.42Å; Y550-L554 VanDerWaalsContact O-N 3.14Å
551	S	92.1	Very high	90	Very high	64 Å²	64	73.7 Å²	73.7	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-59	-35.2	177.1	52.6	0	0	0	0	113	Y539 S553 L554 K555	Y539-S551 VanDerWaalsContact CD2-N 3.27Å; S551-S553 VanDerWaalsContact C-N 3.25Å; S551-S553 PolarHBondContact O-N 3.06Å; S551-L554 PolarHBondContact O-N 2.84Å; S551-K555 PolarHBondContact O-N 3.45Å
552	T	89.7	Confident	89.6	Confident	101 Å²	101	76.1 Å²	76.1	62%	0.62	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-28.7	173.5	54.4	0	0	0	0	113.1	Y550 R556	Y550-T552 VanDerWaalsContact C-N 3.27Å; Y550-T552 PolarHBondContact O-N 3.39Å; T552-R556 VanDerWaalsContact O-CB 3.27Å; T552-R556 WeakPolarHBondContact O-CB 3.5Å; T552-R556 PolarHBondContact O-N 3.28Å; T552-R556 VanDerWaalsContact O-N 3.12Å
553	S	92.3	Very high	88.9	Confident	27 Å²	27	72 Å²	72	19%	0.189	37%	0.372	C	S	.	.	H	α-helix	trans	-78.5	-37.6	175.4	-62.4	0	0	0	0	111.6	Y550 S551 H557	Y550-S553 WeakPolarHBondContact O-CA 3.17Å; Y550-S553 WeakPolarHBondContact O-CB 3.43Å; Y550-S553 PolarHBondContact O-N 2.86Å; S551-S553 VanDerWaalsContact C-N 3.25Å; S551-S553 PolarHBondContact O-N 3.06Å; S553-H557 WeakPolarHBondContact O-CB 3.47Å; S553-H557 PolarHBondContact O-N 3.4Å
554	L	92.7	Very high	88.1	Confident	22 Å²	22	71.3 Å²	71.3	12%	0.115	37%	0.368	C	S	.	.	H	α-helix	trans	-60.1	-51	169.1	169.5	58.8	0	0	0	111	S540 C541 F548 Y550 S551 R556 H557 Q558	S540-L554 WeakPolarHBondContact O-CD2 3.09Å; C541-L554 HydrophobicContact CB-CD1 3.81Å; F548-L554 HydrophobicContact CB-CB 4.3Å; F548-L554 HydrophobicContact CD2-CB 3.8Å; F548-L554 HydrophobicContact CD2-CD1 3.89Å; F548-L554 HydrophobicContact CD2-CG 4.44Å; F548-L554 HydrophobicContact CE2-CD1 4Å; F548-L554 HydrophobicContact CG-CB 4.21Å; Y550-L554 PolarHBondContact O-N 3.42Å; Y550-L554 VanDerWaalsContact O-N 3.14Å; S551-L554 PolarHBondContact O-N 2.84Å; L554-R556 PolarHBondContact O-N 3.24Å; L554-H557 CarbonylContact O-C 3.34Å; L554-H557 WeakPolarHBondContact O-CA 3.48Å; L554-H557 WeakPolarHBondContact O-CB 3.4Å; L554-H557 PolarHBondContact O-N 2.8Å; L554-Q558 HydrophobicContact CD1-CG 4.02Å; L554-Q558 PolarHBondContact O-N 2.92Å
555	K	88.8	Confident	87	Confident	98 Å²	98	74.3 Å²	74.3	43%	0.426	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-43.5	-178.7	-147	-176.2	-156	-151.4	0	112.1	S551 H557 Q558 Q559 E565	S551-K555 PolarHBondContact O-N 3.45Å; K555-H557 VanDerWaalsContact C-N 3.29Å; K555-H557 PolarHBondContact O-N 2.91Å; K555-Q558 PolarHBondContact O-N 3.42Å; K555-Q559 WeakPolarHBondContact O-CB 3.44Å; K555-Q559 WeakPolarHBondContact O-CG 3.19Å; K555-Q559 PolarHBondContact O-N 3.09Å; K555-E565 VanDerWaalsContact CE-CD 3.46Å; K555-E565 WeakPolarHBondContact CE-OE1 3.44Å; K555-E565 WeakPolarHBondContact CE-OE2 3.47Å; K555-E565 IonicContact NZ-OE1 2.61Å; K555-E565 PolarHBondContact NZ-OE1 2.91Å; K555-E565 IonicContact NZ-OE2 2.71Å; K555-E565 PolarHBondContact NZ-OE2 3.36Å
556	R	87.1	Confident	86.3	Confident	138 Å²	138	71.3 Å²	71.3	52%	0.521	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-31.9	173.9	-175.3	175.8	64.5	172.2	-0.5	113.2	T552 L554 R560	T552-R556 VanDerWaalsContact O-CB 3.27Å; T552-R556 WeakPolarHBondContact O-CB 3.5Å; T552-R556 PolarHBondContact O-N 3.28Å; T552-R556 VanDerWaalsContact O-N 3.12Å; L554-R556 PolarHBondContact O-N 3.24Å; R556-R560 WeakPolarHBondContact O-CB 3.43Å; R556-R560 WeakPolarHBondContact O-CG 3.11Å; R556-R560 PolarHBondContact O-N 3.36Å; R556-R560 VanDerWaalsContact O-N 3.12Å
557	H	89.7	Confident	85.6	Confident	18 Å²	18	72.9 Å²	72.9	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-72.6	-43.8	173.2	156.3	81.3	0	0	0	111.5	C544 F548 S553 L554 K555 Q559 R560 H561 H562	C544-H557 VanDerWaalsContact SG-CE1 3.5Å; C544-H557 PolarHBondContact SG-NE2 2.96Å; F548-H557 HydrophobicContact CE1-CB 3.84Å; F548-H557 HydrophobicContact CE2-CB 3.97Å; F548-H557 AromaticContact CE2-CD2 3.45Å; F548-H557 VanDerWaalsContact CE2-CD2 3.45Å; F548-H557 WeakPolarHBondContact CE2-CD2 3.43Å; F548-H557 AromaticContact CE2-CG 3.7Å; F548-H557 HydrophobicContact CZ-CB 3.41Å; F548-H557 VanDerWaalsContact CZ-CB 3.41Å; F548-H557 AromaticContact CZ-CD2 3.49Å; F548-H557 VanDerWaalsContact CZ-CD2 3.49Å; F548-H557 WeakPolarHBondContact CZ-CD2 3.15Å; F548-H557 AromaticContact CZ-CG 3.23Å; F548-H557 AromaticContact CZ-ND1 3.69Å; S553-H557 WeakPolarHBondContact O-CB 3.47Å; S553-H557 PolarHBondContact O-N 3.4Å; L554-H557 CarbonylContact O-C 3.34Å; L554-H557 WeakPolarHBondContact O-CA 3.48Å; L554-H557 WeakPolarHBondContact O-CB 3.4Å; L554-H557 PolarHBondContact O-N 2.8Å; K555-H557 VanDerWaalsContact C-N 3.29Å; K555-H557 PolarHBondContact O-N 2.91Å; H557-Q559 VanDerWaalsContact C-N 3.32Å; H557-Q559 PolarHBondContact O-N 3.23Å; H557-R560 PolarHBondContact O-N 3.43Å; H557-R560 VanDerWaalsContact O-N 3.07Å; H557-H561 AromaticContact CE1-CD2 3.76Å; H557-H561 AromaticContact CE1-CG 3.8Å; H557-H561 AromaticContact ND1-CD2 3.11Å; H557-H561 PolarHBondContact ND1-CD2 3.43Å; H557-H561 AromaticContact ND1-CG 3.63Å; H557-H561 AromaticContact ND1-NE2 3.71Å; H557-H561 PolarHBondContact O-CD2 3.41Å; H557-H561 PolarHBondContact O-N 2.81Å; H557-H562 AromaticContact NE2-NE2 3.71Å
558	Q	87.2	Confident	85	Confident	36 Å²	36	73.1 Å²	73.1	17%	0.168	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-43.1	174	-76.5	167.8	-45.7	0	0	111.7	N542 L554 K555 R560 H562 G563 L564	N542-Q558 PolarHBondContact OD1-NE2 3.31Å; N542-Q558 VanDerWaalsContact OD1-NE2 3.1Å; L554-Q558 HydrophobicContact CD1-CG 4.02Å; L554-Q558 PolarHBondContact O-N 2.92Å; K555-Q558 PolarHBondContact O-N 3.42Å; Q558-R560 PolarHBondContact O-N 3.08Å; Q558-H562 CarbonylContact O-C 3.31Å; Q558-H562 WeakPolarHBondContact O-CA 3.19Å; Q558-H562 WeakPolarHBondContact O-CB 3.31Å; Q558-H562 PolarHBondContact O-N 2.87Å; Q558-G563 PolarHBondContact O-N 2.82Å; Q558-L564 HydrophobicContact CB-CD1 4.22Å
559	Q	84.8	Confident	84.6	Confident	28 Å²	28	71.4 Å²	71.4	13%	0.131	35%	0.346	C	S	.	.	H	α-helix	trans	-60.2	-39.3	171.9	-73.4	165.6	-24.3	0	0	113.2	K555 H557 L564 E565 L566 L577	K555-Q559 WeakPolarHBondContact O-CB 3.44Å; K555-Q559 WeakPolarHBondContact O-CG 3.19Å; K555-Q559 PolarHBondContact O-N 3.09Å; H557-Q559 VanDerWaalsContact C-N 3.32Å; H557-Q559 PolarHBondContact O-N 3.23Å; Q559-L564 VanDerWaalsContact CA-O 3.3Å; Q559-L564 WeakPolarHBondContact CA-O 3.31Å; Q559-L564 WeakPolarHBondContact CG-O 3.46Å; Q559-E565 HydrophobicContact CG-CB 4.37Å; Q559-L566 WeakPolarHBondContact O-CD2 3.23Å; Q559-L577 HydrophobicContact CB-CD2 3.74Å; Q559-L577 PolarHBondContact NE2-O 2.94Å; Q559-L577 PolarHBondContact OE1-O 2.66Å
560	R	82.3	Confident	84.2	Confident	162 Å²	162	75.7 Å²	75.7	61%	0.611	36%	0.364	S	S	*	.	H	α-helix	trans	-80.5	-41.3	-178	-79.9	-175.8	173.7	-159.7	-7	115.1	R556 H557 Q558 L577	R556-R560 WeakPolarHBondContact O-CB 3.43Å; R556-R560 WeakPolarHBondContact O-CG 3.11Å; R556-R560 PolarHBondContact O-N 3.36Å; R556-R560 VanDerWaalsContact O-N 3.12Å; H557-R560 PolarHBondContact O-N 3.43Å; H557-R560 VanDerWaalsContact O-N 3.07Å; Q558-R560 PolarHBondContact O-N 3.08Å; R560-L577 HydrophobicContact CB-CD2 4.41Å; R560-L577 HydrophobicContact CG-CD1 3.84Å; R560-L577 HydrophobicContact CG-CD2 3.48Å; R560-L577 VanDerWaalsContact CG-CD2 3.48Å; R560-L577 HydrophobicContact CG-CG 4.33Å; R560-L577 VanDerWaalsContact NE-CD1 3.26Å
561	H	82.4	Confident	83.7	Confident	134 Å²	134	76.9 Å²	76.9	62%	0.62	38%	0.375	S	S	*	.	H	α-helix	trans	-103.5	-20.2	-170.2	-68.8	-97.1	0	0	0	113.7	H557	H557-H561 AromaticContact CE1-CD2 3.76Å; H557-H561 AromaticContact CE1-CG 3.8Å; H557-H561 AromaticContact ND1-CD2 3.11Å; H557-H561 PolarHBondContact ND1-CD2 3.43Å; H557-H561 AromaticContact ND1-CG 3.63Å; H557-H561 AromaticContact ND1-NE2 3.71Å; H557-H561 PolarHBondContact O-CD2 3.41Å; H557-H561 PolarHBondContact O-N 2.81Å
562	H	85.2	Confident	83.3	Confident	61 Å²	61	76.2 Å²	76.2	28%	0.282	37%	0.37	S	S	.	.	S	Bend	trans	-124.1	4.8	-177.6	-53.4	-57.1	0	0	0	112.7	L543 H557 Q558 L564	L543-H562 HydrophobicContact CD1-CB 3.76Å; H557-H562 AromaticContact NE2-NE2 3.71Å; Q558-H562 CarbonylContact O-C 3.31Å; Q558-H562 WeakPolarHBondContact O-CA 3.19Å; Q558-H562 WeakPolarHBondContact O-CB 3.31Å; Q558-H562 PolarHBondContact O-N 2.87Å; H562-L564 HydrophobicContact CB-CD1 4.27Å; H562-L564 HydrophobicContact CB-CG 4.17Å; H562-L564 PolarHBondContact O-N 3.31Å
563	G	74.3	Confident	83.1	Confident	38 Å²	38	75.6 Å²	75.6	39%	0.392	36%	0.36	S	S	.	.			trans	66.2	1.1	176	0	0	0	0	0	116.1	Q558 E565 L566	Q558-G563 PolarHBondContact O-N 2.82Å; G563-E565 PolarHBondContact O-N 3.23Å; G563-L566 WeakPolarHBondContact O-CG 3.47Å; G563-L566 PolarHBondContact O-N 2.89Å
564	L	72	Confident	82.6	Confident	81 Å²	81	80.7 Å²	80.7	42%	0.424	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	130	-174.7	-64.1	175.1	0	0	0	110.9	L543 Q558 Q559 H562 L566	L543-L564 HydrophobicContact CD1-CD1 3.88Å; Q558-L564 HydrophobicContact CB-CD1 4.22Å; Q559-L564 VanDerWaalsContact CA-O 3.3Å; Q559-L564 WeakPolarHBondContact CA-O 3.31Å; Q559-L564 WeakPolarHBondContact CG-O 3.46Å; H562-L564 HydrophobicContact CB-CD1 4.27Å; H562-L564 HydrophobicContact CB-CG 4.17Å; H562-L564 PolarHBondContact O-N 3.31Å; L564-L566 VanDerWaalsContact C-N 3.33Å; L564-L566 PolarHBondContact O-N 2.74Å
565	E	67.9	Low	82.1	Confident	113 Å²	113	83.3 Å²	83.3	53%	0.528	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	32.1	-178.2	-50.9	-177.9	173.3	0	0	115.8	K555 Q559 G563	K555-E565 VanDerWaalsContact CE-CD 3.46Å; K555-E565 WeakPolarHBondContact CE-OE1 3.44Å; K555-E565 WeakPolarHBondContact CE-OE2 3.47Å; K555-E565 IonicContact NZ-OE1 2.61Å; K555-E565 PolarHBondContact NZ-OE1 2.91Å; K555-E565 IonicContact NZ-OE2 2.71Å; K555-E565 PolarHBondContact NZ-OE2 3.36Å; Q559-E565 HydrophobicContact CG-CB 4.37Å; G563-E565 PolarHBondContact O-N 3.23Å
566	L	76.7	Confident	81.6	Confident	59 Å²	59	80.4 Å²	80.4	31%	0.309	38%	0.383	S	S	.	.			trans	-71.8	128.2	167.7	-72.9	179.4	0	0	0	111.6	Q559 G563 L564 T575 L577	Q559-L566 WeakPolarHBondContact O-CD2 3.23Å; G563-L566 WeakPolarHBondContact O-CG 3.47Å; G563-L566 PolarHBondContact O-N 2.89Å; L564-L566 VanDerWaalsContact C-N 3.33Å; L564-L566 PolarHBondContact O-N 2.74Å; L566-T575 HydrophobicContact CB-CG2 4.4Å; L566-L577 HydrophobicContact CD2-CD2 3.68Å; L566-L577 HydrophobicContact CD2-CG 4.35Å
567	L	78	Confident	81	Confident	64 Å²	64	75.6 Å²	75.6	34%	0.335	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.8	179.7	-66.1	160.1	0	0	0	110.3	T575 F576 E579 L582	L567-T575 CarbonylContact O-C 3.6Å; L567-T575 WeakPolarHBondContact O-CA 3.32Å; L567-F576 PolarHBondContact N-O 3.14Å; L567-F576 PolarHBondContact O-N 3.3Å; L567-E579 HydrophobicContact CD1-CB 4.28Å; L567-L582 HydrophobicContact CB-CD2 4.01Å
568	R	82.7	Confident	80.3	Confident	136 Å²	136	77.9 Å²	77.9	51%	0.513	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.6	-169.8	174	177.1	-96.1	-144.9	11.4	111.8	Q570	R568-Q570 PolarHBondContact O-N 2.84Å
569	C	85.5	Confident	80	Confident	4 Å²	4	80.6 Å²	80.6	3%	0.027	39%	0.393	C	S	.	.			trans	-76	118.5	167.5	-178	0	0	0	0	109.7	L571 Q573 K574 F576 L582 H585	C569-L571 PolarHBondContact O-N 3.05Å; C569-Q573 WeakPolarHBondContact O-CA 3.36Å; C569-Q573 PolarHBondContact O-N 3.39Å; C569-K574 PolarHBondContact N-O 3.1Å; C569-F576 HydrophobicContact CB-CE2 3.99Å; C569-L582 HydrophobicContact CB-CD1 3.66Å; C569-H585 PolarHBondContact SG-NE2 3.41Å
570	Q	84.4	Confident	79.9	Confident	139 Å²	139	83.6 Å²	83.6	65%	0.65	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.6	-176.9	-54.7	-58.7	-9.8	0	0	113.6	R568 Q573	R568-Q570 PolarHBondContact O-N 2.84Å; Q570-Q573 PolarHBondContact O-NE2 3.02Å
571	L	81.6	Confident	79.9	Confident	92 Å²	92	77.8 Å²	77.8	48%	0.482	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-28	-176.9	-60.4	171.6	0	0	0	114.1	C569 E590	C569-L571 PolarHBondContact O-N 3.05Å; L571-E590 HydrophobicContact CD1-CB 4.39Å; L571-E590 HydrophobicContact CD1-CG 3.29Å
572	C	85.1	Confident	80.1	Confident	50 Å²	50	72.2 Å²	72.2	34%	0.338	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	11.7	178	75.8	0	0	0	0	114.4	K574 H585 C589	C572-K574 PolarHBondContact O-N 3.04Å; C572-H585 PolarHBondContact SG-CE1 3.38Å; C572-H585 PolarHBondContact SG-NE2 3.45Å; C572-C589 VanDerWaalsContact SG-SG 3.65Å
573	Q	84.2	Confident	80	Confident	88 Å²	88	73.7 Å²	73.7	41%	0.411	38%	0.384	S	S	.	.			trans	59.3	1.6	176.9	-53.8	-60.9	-27.1	0	0	116.5	C569 Q570	C569-Q573 WeakPolarHBondContact O-CA 3.36Å; C569-Q573 PolarHBondContact O-N 3.39Å; Q570-Q573 PolarHBondContact O-NE2 3.02Å
574	K	81.6	Confident	80.4	Confident	134 Å²	134	81.2 Å²	81.2	58%	0.583	40%	0.401	S	S	*	.			trans	-61.6	144.5	174.9	-70.7	-176.3	179.3	-178	0	111.8	C569 C572 F576	C569-K574 PolarHBondContact N-O 3.1Å; C572-K574 PolarHBondContact O-N 3.04Å; K574-F576 HydrophobicContact CB-CE2 3.68Å; K574-F576 HydrophobicContact CB-CZ 3.8Å; K574-F576 WeakPolarHBondContact O-CD2 3.49Å; K574-F576 VanDerWaalsContact O-CE2 3.25Å; K574-F576 WeakPolarHBondContact O-CE2 3.46Å
575	T	81.9	Confident	81.1	Confident	77 Å²	77	79.4 Å²	79.4	47%	0.472	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.1	-175.2	46.6	0	0	0	0	112.5	L566 L567	L566-T575 HydrophobicContact CB-CG2 4.4Å; L567-T575 CarbonylContact O-C 3.6Å; L567-T575 WeakPolarHBondContact O-CA 3.32Å
576	F	80.2	Confident	81.8	Confident	37 Å²	37	80.3 Å²	80.3	16%	0.162	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.7	-169.1	-63.7	-82	0	0	0	112.1	L567 C569 K574 N578 C581 L582 H585	L567-F576 PolarHBondContact N-O 3.14Å; L567-F576 PolarHBondContact O-N 3.3Å; C569-F576 HydrophobicContact CB-CE2 3.99Å; K574-F576 HydrophobicContact CB-CE2 3.68Å; K574-F576 HydrophobicContact CB-CZ 3.8Å; K574-F576 WeakPolarHBondContact O-CD2 3.49Å; K574-F576 VanDerWaalsContact O-CE2 3.25Å; K574-F576 WeakPolarHBondContact O-CE2 3.46Å; F576-N578 VanDerWaalsContact C-N 3.35Å; F576-N578 PolarHBondContact O-N 3.28Å; F576-C581 HydrophobicContact CB-CB 4.28Å; F576-C581 HydrophobicContact CD1-CB 4.14Å; F576-L582 HydrophobicContact CB-CB 4.17Å; F576-L582 HydrophobicContact CD2-CB 4.37Å; F576-L582 HydrophobicContact CD2-CD1 3.81Å; F576-L582 HydrophobicContact CE2-CD1 4.26Å; F576-L582 HydrophobicContact CG-CB 4.35Å; F576-H585 HydrophobicContact CD1-CB 4.38Å; F576-H585 HydrophobicContact CE1-CB 3.64Å; F576-H585 AromaticContact CE1-CG 3.78Å; F576-H585 HydrophobicContact CE2-CB 4.17Å; F576-H585 AromaticContact CE2-CD2 3.2Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.35Å; F576-H585 AromaticContact CE2-CG 3.72Å; F576-H585 AromaticContact CE2-NE2 3.82Å; F576-H585 HydrophobicContact CZ-CB 3.54Å; F576-H585 AromaticContact CZ-CD2 3.14Å; F576-H585 WeakPolarHBondContact CZ-CD2 3.47Å; F576-H585 AromaticContact CZ-CG 3.15Å; F576-H585 AromaticContact CZ-ND1 3.78Å; F576-H585 AromaticContact CZ-NE2 3.74Å
577	L	72.8	Confident	81.9	Confident	37 Å²	37	80 Å²	80	19%	0.194	39%	0.389	C	S	.	.	S	Bend	trans	-79.5	-13	-172.6	-64.9	167.3	0	0	0	114.6	Q559 R560 L566	Q559-L577 HydrophobicContact CB-CD2 3.74Å; Q559-L577 PolarHBondContact NE2-O 2.94Å; Q559-L577 PolarHBondContact OE1-O 2.66Å; R560-L577 HydrophobicContact CB-CD2 4.41Å; R560-L577 HydrophobicContact CG-CD1 3.84Å; R560-L577 HydrophobicContact CG-CD2 3.48Å; R560-L577 VanDerWaalsContact CG-CD2 3.48Å; R560-L577 HydrophobicContact CG-CG 4.33Å; R560-L577 VanDerWaalsContact NE-CD1 3.26Å; L566-L577 HydrophobicContact CD2-CD2 3.68Å; L566-L577 HydrophobicContact CD2-CG 4.35Å
578	N	75.8	Confident	82	Confident	66 Å²	66	78.4 Å²	78.4	35%	0.353	39%	0.388	S	S	.	.	S	Bend	trans	-169.4	161.9	-179.3	56.8	80	0	0	0	110	F576 S580 C581 L582	F576-N578 VanDerWaalsContact C-N 3.35Å; F576-N578 PolarHBondContact O-N 3.28Å; N578-S580 VanDerWaalsContact C-N 3.33Å; N578-S580 PolarHBondContact O-N 3.01Å; N578-S580 WeakPolarHBondContact OD1-CB 3.27Å; N578-S580 PolarHBondContact OD1-N 3.21Å; N578-C581 PolarHBondContact O-N 3.44Å; N578-C581 VanDerWaalsContact O-N 3.15Å; N578-C581 PolarHBondContact OD1-N 2.88Å; N578-C581 PolarHBondContact OD1-SG 2.96Å; N578-L582 PolarHBondContact O-N 3.18Å; N578-L582 VanDerWaalsContact O-N 3.1Å
579	E	80.2	Confident	81.9	Confident	93 Å²	93	72.5 Å²	72.5	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-38.9	-176.5	-164.7	54.8	-133.5	0	0	112.8	L567 C581 L582 I583	L567-E579 HydrophobicContact CD1-CB 4.28Å; E579-C581 VanDerWaalsContact C-N 3.29Å; E579-C581 PolarHBondContact O-N 2.97Å; E579-L582 CarbonylContact O-C 3.59Å; E579-L582 PolarHBondContact O-N 2.95Å; E579-I583 HydrophobicContact CG-CD1 3.87Å; E579-I583 HydrophobicContact CG-CG1 4.25Å; E579-I583 WeakPolarHBondContact O-CG1 3.48Å; E579-I583 PolarHBondContact O-N 3.02Å
580	S	83.3	Confident	81.2	Confident	91 Å²	91	75.5 Å²	75.5	64%	0.636	38%	0.381	S	S	*	.	H	α-helix	trans	-63	-34.5	178.1	-48	0	0	0	0	112.8	N578 R584	N578-S580 VanDerWaalsContact C-N 3.33Å; N578-S580 PolarHBondContact O-N 3.01Å; N578-S580 WeakPolarHBondContact OD1-CB 3.27Å; N578-S580 PolarHBondContact OD1-N 3.21Å; S580-R584 WeakPolarHBondContact O-CB 3.45Å; S580-R584 PolarHBondContact O-N 3.25Å
581	C	82.9	Confident	80.4	Confident	39 Å²	39	74.1 Å²	74.1	26%	0.264	38%	0.378	S	S	.	.	H	α-helix	trans	-71.8	-37.7	171.5	-71.1	0	0	0	0	112.3	F576 N578 E579 H585	F576-C581 HydrophobicContact CB-CB 4.28Å; F576-C581 HydrophobicContact CD1-CB 4.14Å; N578-C581 PolarHBondContact O-N 3.44Å; N578-C581 VanDerWaalsContact O-N 3.15Å; N578-C581 PolarHBondContact OD1-N 2.88Å; N578-C581 PolarHBondContact OD1-SG 2.96Å; E579-C581 VanDerWaalsContact C-N 3.29Å; E579-C581 PolarHBondContact O-N 2.97Å; C581-H585 WeakPolarHBondContact O-CB 3.5Å; C581-H585 PolarHBondContact O-N 2.82Å; C581-H585 VanDerWaalsContact O-N 3.09Å
582	L	85.5	Confident	79.7	Confident	18 Å²	18	79.1 Å²	79.1	9%	0.094	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-51.3	175.3	174.8	56.2	0	0	0	111.2	L567 C569 F576 N578 E579 R584 H585 R586	L567-L582 HydrophobicContact CB-CD2 4.01Å; C569-L582 HydrophobicContact CB-CD1 3.66Å; F576-L582 HydrophobicContact CB-CB 4.17Å; F576-L582 HydrophobicContact CD2-CB 4.37Å; F576-L582 HydrophobicContact CD2-CD1 3.81Å; F576-L582 HydrophobicContact CE2-CD1 4.26Å; F576-L582 HydrophobicContact CG-CB 4.35Å; N578-L582 PolarHBondContact O-N 3.18Å; N578-L582 VanDerWaalsContact O-N 3.1Å; E579-L582 CarbonylContact O-C 3.59Å; E579-L582 PolarHBondContact O-N 2.95Å; L582-R584 PolarHBondContact O-N 3.42Å; L582-H585 CarbonylContact O-C 3.21Å; L582-H585 PolarHBondContact O-N 3.29Å; L582-H585 VanDerWaalsContact O-N 3.16Å; L582-R586 WeakPolarHBondContact O-CB 3.45Å; L582-R586 PolarHBondContact O-N 3.31Å
583	I	83.5	Confident	78.7	Confident	92 Å²	92	78.5 Å²	78.5	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-56.2	-50.4	178.6	-68.1	169.4	0	0	0	111	E579 H585 R586 T587	E579-I583 HydrophobicContact CG-CD1 3.87Å; E579-I583 HydrophobicContact CG-CG1 4.25Å; E579-I583 WeakPolarHBondContact O-CG1 3.48Å; E579-I583 PolarHBondContact O-N 3.02Å; I583-H585 VanDerWaalsContact C-N 3.26Å; I583-H585 PolarHBondContact O-N 3Å; I583-R586 WeakPolarHBondContact O-CB 3.41Å; I583-R586 PolarHBondContact O-N 3.44Å; I583-R586 VanDerWaalsContact O-N 3.09Å; I583-T587 PolarHBondContact O-N 3.16Å; I583-T587 VanDerWaalsContact O-N 3.1Å; I583-T587 PolarHBondContact O-OG1 3Å
584	R	83.3	Confident	77.4	Confident	196 Å²	196	77 Å²	77	74%	0.74	39%	0.387	S	S	*	.	H	α-helix	trans	-64.5	-30.3	179.9	-173.4	178.2	66	170.5	1.6	113	S580 L582 T587	S580-R584 WeakPolarHBondContact O-CB 3.45Å; S580-R584 PolarHBondContact O-N 3.25Å; L582-R584 PolarHBondContact O-N 3.42Å; R584-T587 PolarHBondContact O-OG1 3.02Å
585	H	86.5	Confident	76.3	Confident	43 Å²	43	74.7 Å²	74.7	20%	0.199	38%	0.384	C	S	.	.	H	α-helix	trans	-74.3	-43	170.7	163.3	63.3	0	0	0	111.6	C569 C572 F576 C581 L582 I583 T587 G588 C589	C569-H585 PolarHBondContact SG-NE2 3.41Å; C572-H585 PolarHBondContact SG-CE1 3.38Å; C572-H585 PolarHBondContact SG-NE2 3.45Å; F576-H585 HydrophobicContact CD1-CB 4.38Å; F576-H585 HydrophobicContact CE1-CB 3.64Å; F576-H585 AromaticContact CE1-CG 3.78Å; F576-H585 HydrophobicContact CE2-CB 4.17Å; F576-H585 AromaticContact CE2-CD2 3.2Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.35Å; F576-H585 AromaticContact CE2-CG 3.72Å; F576-H585 AromaticContact CE2-NE2 3.82Å; F576-H585 HydrophobicContact CZ-CB 3.54Å; F576-H585 AromaticContact CZ-CD2 3.14Å; F576-H585 WeakPolarHBondContact CZ-CD2 3.47Å; F576-H585 AromaticContact CZ-CG 3.15Å; F576-H585 AromaticContact CZ-ND1 3.78Å; F576-H585 AromaticContact CZ-NE2 3.74Å; C581-H585 WeakPolarHBondContact O-CB 3.5Å; C581-H585 PolarHBondContact O-N 2.82Å; C581-H585 VanDerWaalsContact O-N 3.09Å; L582-H585 CarbonylContact O-C 3.21Å; L582-H585 PolarHBondContact O-N 3.29Å; L582-H585 VanDerWaalsContact O-N 3.16Å; I583-H585 VanDerWaalsContact C-N 3.26Å; I583-H585 PolarHBondContact O-N 3Å; H585-T587 PolarHBondContact O-N 3.26Å; H585-G588 CarbonylContact O-C 3.56Å; H585-G588 WeakPolarHBondContact O-CA 3.42Å; H585-G588 PolarHBondContact O-N 3.12Å; H585-G588 VanDerWaalsContact O-N 3.09Å; H585-C589 WeakPolarHBondContact O-CB 3.42Å; H585-C589 PolarHBondContact O-N 3.38Å
586	R	81.5	Confident	75.2	Confident	132 Å²	132	77.5 Å²	77.5	50%	0.498	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-47.2	-174.2	179	175	173.8	156.9	8	111.4	L582 I583 G588 C589 E590	L582-R586 WeakPolarHBondContact O-CB 3.45Å; L582-R586 PolarHBondContact O-N 3.31Å; I583-R586 WeakPolarHBondContact O-CB 3.41Å; I583-R586 PolarHBondContact O-N 3.44Å; I583-R586 VanDerWaalsContact O-N 3.09Å; R586-G588 VanDerWaalsContact C-N 3.29Å; R586-G588 PolarHBondContact O-N 2.89Å; R586-C589 CarbonylContact O-C 3.59Å; R586-C589 WeakPolarHBondContact O-CA 3.43Å; R586-C589 WeakPolarHBondContact O-CB 3.32Å; R586-C589 PolarHBondContact O-N 3.39Å; R586-E590 HydrophobicContact CG-CG 4.25Å; R586-E590 WeakPolarHBondContact CG-OE2 3.22Å; R586-E590 IonicContact CZ-OE1 2.65Å; R586-E590 VanDerWaalsContact CZ-OE1 3.23Å; R586-E590 IonicContact NE-OE1 3.75Å; R586-E590 PolarHBondContact NE-OE1 2.86Å; R586-E590 IonicContact NE-OE2 3.76Å; R586-E590 IonicContact NH2-OE1 3.23Å; R586-E590 PolarHBondContact NH2-OE1 2.85Å; R586-E590 WeakPolarHBondContact O-CG 3.44Å; R586-E590 PolarHBondContact O-N 2.82Å
587	T	79.4	Confident	74.2	Confident	52 Å²	52	79.1 Å²	79.1	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-55.5	-42.8	174.2	52.7	0	0	0	0	112.4	I583 R584 H585 C589 L591	I583-T587 PolarHBondContact O-N 3.16Å; I583-T587 VanDerWaalsContact O-N 3.1Å; I583-T587 PolarHBondContact O-OG1 3Å; R584-T587 PolarHBondContact O-OG1 3.02Å; H585-T587 PolarHBondContact O-N 3.26Å; T587-C589 VanDerWaalsContact C-N 3.33Å; T587-C589 PolarHBondContact O-N 3.28Å; T587-L591 WeakPolarHBondContact O-CG 3.48Å; T587-L591 PolarHBondContact O-N 2.97Å
588	G	79.1	Confident	73.3	Confident	30 Å²	30	79.6 Å²	79.6	31%	0.309	41%	0.412	S	S	.	.	H	α-helix	trans	-76.5	-14.7	175.4	0	0	0	0	0	114.8	H585 R586 R592	H585-G588 CarbonylContact O-C 3.56Å; H585-G588 WeakPolarHBondContact O-CA 3.42Å; H585-G588 PolarHBondContact O-N 3.12Å; H585-G588 VanDerWaalsContact O-N 3.09Å; R586-G588 VanDerWaalsContact C-N 3.29Å; R586-G588 PolarHBondContact O-N 2.89Å; G588-R592 WeakPolarHBondContact O-CG 3.12Å
589	C	81.3	Confident	72.4	Confident	12 Å²	12	81 Å²	81	8%	0.081	42%	0.42	C	S	.	.	H	α-helix	trans	-89.5	-37.7	176.8	-163.9	0	0	0	0	111.5	C572 H585 R586 T587 R592 A593	C572-C589 VanDerWaalsContact SG-SG 3.65Å; H585-C589 WeakPolarHBondContact O-CB 3.42Å; H585-C589 PolarHBondContact O-N 3.38Å; R586-C589 CarbonylContact O-C 3.59Å; R586-C589 WeakPolarHBondContact O-CA 3.43Å; R586-C589 WeakPolarHBondContact O-CB 3.32Å; R586-C589 PolarHBondContact O-N 3.39Å; T587-C589 VanDerWaalsContact C-N 3.33Å; T587-C589 PolarHBondContact O-N 3.28Å; C589-R592 PolarHBondContact O-N 3.44Å; C589-A593 WeakPolarHBondContact O-CB 3.47Å; C589-A593 PolarHBondContact O-N 3.39Å
590	E	71.9	Confident	71.2	Confident	68 Å²	68	82.6 Å²	82.6	32%	0.318	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-46.7	174.6	-74.4	166.8	153.7	0	0	110.1	L571 R586 R592 A593 C594	L571-E590 HydrophobicContact CD1-CB 4.39Å; L571-E590 HydrophobicContact CD1-CG 3.29Å; R586-E590 HydrophobicContact CG-CG 4.25Å; R586-E590 WeakPolarHBondContact CG-OE2 3.22Å; R586-E590 IonicContact CZ-OE1 2.65Å; R586-E590 VanDerWaalsContact CZ-OE1 3.23Å; R586-E590 IonicContact NE-OE1 3.75Å; R586-E590 PolarHBondContact NE-OE1 2.86Å; R586-E590 IonicContact NE-OE2 3.76Å; R586-E590 IonicContact NH2-OE1 3.23Å; R586-E590 PolarHBondContact NH2-OE1 2.85Å; R586-E590 WeakPolarHBondContact O-CG 3.44Å; R586-E590 PolarHBondContact O-N 2.82Å; E590-R592 VanDerWaalsContact C-N 3.35Å; E590-R592 PolarHBondContact O-N 2.77Å; E590-A593 PolarHBondContact O-N 2.93Å; E590-C594 PolarHBondContact O-N 3.17Å; E590-C594 PolarHBondContact O-SG 2.67Å
591	L	67.7	Low	69.9	Low	109 Å²	109	84.4 Å²	84.4	57%	0.571	43%	0.425	S	S	*	.	H	α-helix	trans	-56	-44.9	172.7	-70.4	169.3	0	0	0	112.8	T587 C594 V595	T587-L591 WeakPolarHBondContact O-CG 3.48Å; T587-L591 PolarHBondContact O-N 2.97Å; L591-C594 PolarHBondContact O-N 2.83Å; L591-V595 WeakPolarHBondContact O-CG2 3.42Å; L591-V595 PolarHBondContact O-N 2.67Å
592	R	66.5	Low	68.4	Low	197 Å²	197	87.4 Å²	87.4	74%	0.743	44%	0.439	S	S	*	.	H	α-helix	trans	-70.8	-29.7	178.7	-71.6	177.8	-171.6	-142.8	-0.6	113.6	G588 C589 E590 K596	G588-R592 WeakPolarHBondContact O-CG 3.12Å; C589-R592 PolarHBondContact O-N 3.44Å; E590-R592 VanDerWaalsContact C-N 3.35Å; E590-R592 PolarHBondContact O-N 2.77Å; R592-K596 PolarHBondContact O-N 3.27Å
593	A	64.2	Low	66.9	Low	37 Å²	37	93.9 Å²	93.9	31%	0.306	46%	0.463	S	S	.	.	H	α-helix	trans	-68.9	-45.2	174.1	0	0	0	0	0	110.6	C589 E590 V595 K596 T597	C589-A593 WeakPolarHBondContact O-CB 3.47Å; C589-A593 PolarHBondContact O-N 3.39Å; E590-A593 PolarHBondContact O-N 2.93Å; A593-V595 VanDerWaalsContact C-N 3.33Å; A593-V595 PolarHBondContact O-N 3.45Å; A593-K596 PolarHBondContact O-N 3.23Å; A593-T597 PolarHBondContact O-N 3.15Å; A593-T597 VanDerWaalsContact O-N 3.08Å; A593-T597 PolarHBondContact O-OG1 3.19Å
594	C	55.5	Low	65.9	Low	56 Å²	56	94 Å²	94	38%	0.378	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-32.2	178.8	-68.8	0	0	0	0	114.2	E590 L591 T597 A598	E590-C594 PolarHBondContact O-N 3.17Å; E590-C594 PolarHBondContact O-SG 2.67Å; L591-C594 PolarHBondContact O-N 2.83Å; C594-T597 WeakPolarHBondContact CA-OG1 3.47Å; C594-T597 PolarHBondContact O-OG1 2.95Å; C594-A598 PolarHBondContact O-N 3.23Å
595	V	58.9	Low	64.4	Low	86 Å²	86	92.3 Å²	92.3	52%	0.521	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-49.9	173.1	173.8	0	0	0	0	110.3	L591 A593 T597 A598 D599	L591-V595 WeakPolarHBondContact O-CG2 3.42Å; L591-V595 PolarHBondContact O-N 2.67Å; A593-V595 VanDerWaalsContact C-N 3.33Å; A593-V595 PolarHBondContact O-N 3.45Å; V595-T597 VanDerWaalsContact C-N 3.31Å; V595-T597 PolarHBondContact O-N 2.81Å; V595-A598 WeakPolarHBondContact O-CA 3.31Å; V595-A598 WeakPolarHBondContact O-CB 3.4Å; V595-A598 PolarHBondContact O-N 3.05Å; V595-D599 PolarHBondContact O-N 3.34Å
596	K	59.1	Low	62.5	Low	136 Å²	136	96.8 Å²	96.8	59%	0.591	49%	0.493	S	S	*	.	H	α-helix	trans	-56.5	-40.8	178.4	-85.6	179.3	149.6	-75.9	0	113.7	R592 A593 A598 D599 E600	R592-K596 PolarHBondContact O-N 3.27Å; A593-K596 PolarHBondContact O-N 3.23Å; K596-A598 VanDerWaalsContact C-N 3.33Å; K596-D599 PolarHBondContact O-N 3.12Å; K596-E600 PolarHBondContact O-N 3.01Å
597	T	60	Low	61.2	Low	72 Å²	72	98.7 Å²	98.7	44%	0.442	51%	0.512	S	S	.	.	H	α-helix	trans	-68.5	-32.9	176.4	51.1	0	0	0	0	112.4	A593 C594 V595 E601	A593-T597 PolarHBondContact O-N 3.15Å; A593-T597 VanDerWaalsContact O-N 3.08Å; A593-T597 PolarHBondContact O-OG1 3.19Å; C594-T597 WeakPolarHBondContact CA-OG1 3.47Å; C594-T597 PolarHBondContact O-OG1 2.95Å; V595-T597 VanDerWaalsContact C-N 3.31Å; V595-T597 PolarHBondContact O-N 2.81Å; T597-E601 VanDerWaalsContact O-CB 3.31Å; T597-E601 WeakPolarHBondContact O-CB 3.45Å; T597-E601 VanDerWaalsContact O-CG 3.29Å; T597-E601 WeakPolarHBondContact O-CG 3.48Å; T597-E601 PolarHBondContact O-N 2.84Å
598	A	54.1	Low	60.2	Low	47 Å²	47	101 Å²	101	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-72.1	-37.5	175.7	0	0	0	0	0	112	C594 V595 K596 L602	C594-A598 PolarHBondContact O-N 3.23Å; V595-A598 WeakPolarHBondContact O-CA 3.31Å; V595-A598 WeakPolarHBondContact O-CB 3.4Å; V595-A598 PolarHBondContact O-N 3.05Å; K596-A598 VanDerWaalsContact C-N 3.33Å; A598-L602 WeakPolarHBondContact O-CB 3.28Å; A598-L602 PolarHBondContact O-N 3.26Å
599	D	55.6	Low	59.3	Low	95 Å²	95	104.7 Å²	104.7	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-64.4	-41.9	173.6	-62.4	-31.3	0	0	0	111.2	V595 K596 Y603	V595-D599 PolarHBondContact O-N 3.34Å; K596-D599 PolarHBondContact O-N 3.12Å; D599-Y603 VanDerWaalsContact O-CB 3.28Å; D599-Y603 WeakPolarHBondContact O-CB 3.34Å; D599-Y603 PolarHBondContact O-N 3.36Å
600	E	56	Low	58	Low	127 Å²	127	109.9 Å²	109.9	59%	0.593	56%	0.558	S	S	*	*	H	α-helix	trans	-69.1	-44.2	175.4	-76.4	176.1	-164.6	0	0	112.2	K596 L602 Y603 T604	K596-E600 PolarHBondContact O-N 3.01Å; E600-L602 VanDerWaalsContact C-N 3.35Å; E600-L602 PolarHBondContact O-N 3.34Å; E600-Y603 PolarHBondContact O-N 2.81Å; E600-T604 PolarHBondContact O-N 2.85Å; E600-T604 PolarHBondContact O-OG1 3.37Å; E600-T604 VanDerWaalsContact O-OG1 3.1Å
601	E	55.5	Low	57.2	Low	128 Å²	128	112.4 Å²	112.4	60%	0.598	57%	0.572	S	S	*	*	H	α-helix	trans	-58.5	-44.8	174	-80.3	177	167.4	0	0	111.4	T597 T604 H605	T597-E601 VanDerWaalsContact O-CB 3.31Å; T597-E601 WeakPolarHBondContact O-CB 3.45Å; T597-E601 VanDerWaalsContact O-CG 3.29Å; T597-E601 WeakPolarHBondContact O-CG 3.48Å; T597-E601 PolarHBondContact O-N 2.84Å; E601-T604 WeakPolarHBondContact CA-OG1 3.31Å; E601-T604 CarbonylContact O-C 3.57Å; E601-T604 PolarHBondContact O-N 3.24Å; E601-T604 PolarHBondContact O-OG1 2.87Å; E601-H605 PolarHBondContact O-N 3Å
602	L	50.9	Low	56.6	Low	103 Å²	103	112.6 Å²	112.6	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-41.8	176.8	-177.1	64.2	0	0	0	111.8	A598 E600 T604 H605 L606	A598-L602 WeakPolarHBondContact O-CB 3.28Å; A598-L602 PolarHBondContact O-N 3.26Å; E600-L602 VanDerWaalsContact C-N 3.35Å; E600-L602 PolarHBondContact O-N 3.34Å; L602-T604 VanDerWaalsContact C-N 3.35Å; L602-T604 PolarHBondContact O-N 2.9Å; L602-H605 CarbonylContact O-C 3.45Å; L602-H605 PolarHBondContact O-N 3.03Å; L602-L606 HydrophobicContact CD1-CD1 4.34Å; L602-L606 HydrophobicContact CG-CD1 4.04Å; L602-L606 WeakPolarHBondContact O-CG 3.42Å; L602-L606 PolarHBondContact O-N 3.08Å; L602-L606 VanDerWaalsContact O-N 3.08Å
603	Y	55.6	Low	55.9	Low	153 Å²	153	106.9 Å²	106.9	60%	0.6	56%	0.56	S	S	*	*	H	α-helix	trans	-63.5	-39.2	175.6	-173.2	-109	0	0	0	111.8	D599 E600 H605 L606 L607	D599-Y603 VanDerWaalsContact O-CB 3.28Å; D599-Y603 WeakPolarHBondContact O-CB 3.34Å; D599-Y603 PolarHBondContact O-N 3.36Å; E600-Y603 PolarHBondContact O-N 2.81Å; Y603-H605 PolarHBondContact O-N 3.41Å; Y603-L606 PolarHBondContact O-N 3.29Å; Y603-L607 HydrophobicContact CD1-CD1 3.87Å; Y603-L607 HydrophobicContact CE1-CD1 3.5Å; Y603-L607 HydrophobicContact CE1-CG 4.37Å; Y603-L607 PolarHBondContact O-N 3.4Å
604	T	61	Low	55.3	Low	94 Å²	94	111.9 Å²	111.9	58%	0.577	58%	0.579	S	S	*	*	H	α-helix	trans	-74.5	-6.9	172.1	56.3	0	0	0	0	114.8	E600 E601 L602	E600-T604 PolarHBondContact O-N 2.85Å; E600-T604 PolarHBondContact O-OG1 3.37Å; E600-T604 VanDerWaalsContact O-OG1 3.1Å; E601-T604 WeakPolarHBondContact CA-OG1 3.31Å; E601-T604 CarbonylContact O-C 3.57Å; E601-T604 PolarHBondContact O-N 3.24Å; E601-T604 PolarHBondContact O-OG1 2.87Å; L602-T604 VanDerWaalsContact C-N 3.35Å; L602-T604 PolarHBondContact O-N 2.9Å
605	H	51.9	Low	55.3	Low	161 Å²	161	116.2 Å²	116.2	75%	0.745	59%	0.594	S	S	*	*	H	α-helix	trans	-99.7	-7.8	170.6	-100.9	-62.5	0	0	0	113.2	E601 L602 Y603	E601-H605 PolarHBondContact O-N 3Å; L602-H605 CarbonylContact O-C 3.45Å; L602-H605 PolarHBondContact O-N 3.03Å; Y603-H605 PolarHBondContact O-N 3.41Å
606	L	47.4	Very low	55	Low	138 Å²	138	118.8 Å²	118.8	72%	0.723	60%	0.6	S	S	*	*	H	α-helix	trans	-106.4	-8.6	175.9	-70.6	168.8	0	0	0	112.9	L602 Y603	L602-L606 HydrophobicContact CD1-CD1 4.34Å; L602-L606 HydrophobicContact CG-CD1 4.04Å; L602-L606 WeakPolarHBondContact O-CG 3.42Å; L602-L606 PolarHBondContact O-N 3.08Å; L602-L606 VanDerWaalsContact O-N 3.08Å; Y603-L606 PolarHBondContact O-N 3.29Å
607	L	52.9	Low	54.6	Low	171 Å²	171	117.2 Å²	117.2	90%	0.895	60%	0.601	S	S	*	*			trans	-94.5	0	169.8	-77.6	172.5	0	0	0	111.3	Y603	Y603-L607 HydrophobicContact CD1-CD1 3.87Å; Y603-L607 HydrophobicContact CE1-CD1 3.5Å; Y603-L607 HydrophobicContact CE1-CG 4.37Å; Y603-L607 PolarHBondContact O-N 3.4Å

Retrieved 607 of 607 residues in 534.4 ms (Link to these results)

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